REMARK FINAL COORDINATES WRITTEN BY NAMD AT TIMESTEP 500 ATOM 1 H5T CYT A 8 43.377 48.733 31.067 1.00 0.00 SBOX ATOM 2 O5' CYT A 8 44.036 48.531 30.399 1.00 0.00 SBOX O ATOM 3 C5' CYT A 8 43.967 49.524 29.405 1.00 0.00 SBOX C ATOM 4 H5' CYT A 8 43.940 50.528 29.826 1.00 0.00 SBOX ATOM 5 H5'' CYT A 8 43.012 49.364 28.904 1.00 0.00 SBOX ATOM 6 C4' CYT A 8 45.054 49.473 28.292 1.00 0.00 SBOX C ATOM 7 H4' CYT A 8 44.820 50.135 27.458 1.00 0.00 SBOX ATOM 8 O4' CYT A 8 46.360 49.737 28.867 1.00 0.00 SBOX O ATOM 9 C1' CYT A 8 47.374 49.032 28.139 1.00 0.00 SBOX C ATOM 10 H1' CYT A 8 48.028 49.662 27.536 1.00 0.00 SBOX ATOM 11 N1 CYT A 8 48.138 48.288 29.158 1.00 0.00 SBOX N ATOM 12 C6 CYT A 8 47.567 47.697 30.294 1.00 0.00 SBOX C ATOM 13 H6 CYT A 8 46.546 47.927 30.562 1.00 0.00 SBOX ATOM 14 C5 CYT A 8 48.360 46.996 31.112 1.00 0.00 SBOX C ATOM 15 H5 CYT A 8 47.934 46.387 31.895 1.00 0.00 SBOX ATOM 16 C4 CYT A 8 49.704 46.821 30.677 1.00 0.00 SBOX C ATOM 17 N4 CYT A 8 50.487 46.094 31.331 1.00 0.00 SBOX N ATOM 18 H41 CYT A 8 51.487 46.228 31.293 1.00 0.00 SBOX ATOM 19 H42 CYT A 8 50.031 45.769 32.172 1.00 0.00 SBOX ATOM 20 N3 CYT A 8 50.262 47.486 29.744 1.00 0.00 SBOX N ATOM 21 C2 CYT A 8 49.512 48.335 29.055 1.00 0.00 SBOX C ATOM 22 O2 CYT A 8 50.079 49.133 28.309 1.00 0.00 SBOX O ATOM 23 C3' CYT A 8 45.174 48.068 27.617 1.00 0.00 SBOX C ATOM 24 H3' CYT A 8 44.943 47.239 28.286 1.00 0.00 SBOX ATOM 25 C2' CYT A 8 46.733 48.074 27.175 1.00 0.00 SBOX C ATOM 26 H2'' CYT A 8 47.139 47.064 27.233 1.00 0.00 SBOX ATOM 27 O2' CYT A 8 46.948 48.627 25.902 1.00 0.00 SBOX O ATOM 28 H2' CYT A 8 46.206 48.274 25.407 1.00 0.00 SBOX ATOM 29 O3' CYT A 8 44.465 47.986 26.414 1.00 0.00 SBOX O ATOM 30 P ADE A 9 43.844 46.602 26.038 1.00 0.00 SBOX P ATOM 31 O1P ADE A 9 44.937 45.704 25.731 1.00 0.00 SBOX ATOM 32 O2P ADE A 9 42.849 46.286 27.067 1.00 0.00 SBOX ATOM 33 O5' ADE A 9 43.011 46.705 24.648 1.00 0.00 SBOX O ATOM 34 C5' ADE A 9 43.602 46.777 23.352 1.00 0.00 SBOX C ATOM 35 H5' ADE A 9 43.902 45.791 22.998 1.00 0.00 SBOX ATOM 36 H5'' ADE A 9 44.497 47.399 23.317 1.00 0.00 SBOX ATOM 37 C4' ADE A 9 42.691 47.373 22.232 1.00 0.00 SBOX C ATOM 38 H4' ADE A 9 43.216 47.406 21.277 1.00 0.00 SBOX ATOM 39 O4' ADE A 9 41.448 46.659 22.216 1.00 0.00 SBOX O ATOM 40 C1' ADE A 9 40.448 47.358 23.054 1.00 0.00 SBOX C ATOM 41 H1' ADE A 9 39.594 47.647 22.441 1.00 0.00 SBOX ATOM 42 N9 ADE A 9 39.946 46.563 24.170 1.00 0.00 SBOX N ATOM 43 C8 ADE A 9 39.882 46.876 25.494 1.00 0.00 SBOX C ATOM 44 H8 ADE A 9 40.397 47.714 25.939 1.00 0.00 SBOX ATOM 45 N7 ADE A 9 39.101 46.082 26.169 1.00 0.00 SBOX N ATOM 46 C5 ADE A 9 38.613 45.216 25.169 1.00 0.00 SBOX C ATOM 47 C6 ADE A 9 37.757 44.064 25.214 1.00 0.00 SBOX C ATOM 48 N6 ADE A 9 37.245 43.362 26.238 1.00 0.00 SBOX N ATOM 49 H61 ADE A 9 36.618 42.608 25.998 1.00 0.00 SBOX ATOM 50 H62 ADE A 9 37.734 43.331 27.122 1.00 0.00 SBOX ATOM 51 N1 ADE A 9 37.366 43.467 24.072 1.00 0.00 SBOX N ATOM 52 C2 ADE A 9 38.028 43.834 22.957 1.00 0.00 SBOX C ATOM 53 H2 ADE A 9 37.799 43.320 22.035 1.00 0.00 SBOX ATOM 54 N3 ADE A 9 38.867 44.866 22.771 1.00 0.00 SBOX N ATOM 55 C4 ADE A 9 39.174 45.451 23.961 1.00 0.00 SBOX C ATOM 56 C3' ADE A 9 42.281 48.838 22.418 1.00 0.00 SBOX C ATOM 57 H3' ADE A 9 43.132 49.432 22.751 1.00 0.00 SBOX ATOM 58 C2' ADE A 9 41.120 48.682 23.510 1.00 0.00 SBOX C ATOM 59 H2'' ADE A 9 41.723 48.467 24.392 1.00 0.00 SBOX ATOM 60 O2' ADE A 9 40.272 49.739 23.723 1.00 0.00 SBOX O ATOM 61 H2' ADE A 9 40.277 50.308 22.950 1.00 0.00 SBOX ATOM 62 O3' ADE A 9 41.878 49.292 21.185 1.00 0.00 SBOX O ATOM 63 P ADE A 10 41.927 50.765 20.609 1.00 0.00 SBOX P ATOM 64 O1P ADE A 10 43.318 51.300 20.918 1.00 0.00 SBOX ATOM 65 O2P ADE A 10 41.446 50.641 19.236 1.00 0.00 SBOX ATOM 66 O5' ADE A 10 40.876 51.463 21.529 1.00 0.00 SBOX O ATOM 67 C5' ADE A 10 39.563 51.367 21.134 1.00 0.00 SBOX C ATOM 68 H5' ADE A 10 39.253 50.322 21.160 1.00 0.00 SBOX ATOM 69 H5'' ADE A 10 39.565 51.741 20.111 1.00 0.00 SBOX ATOM 70 C4' ADE A 10 38.569 52.236 21.938 1.00 0.00 SBOX C ATOM 71 H4' ADE A 10 37.548 51.879 21.804 1.00 0.00 SBOX ATOM 72 O4' ADE A 10 38.750 52.183 23.357 1.00 0.00 SBOX O ATOM 73 C1' ADE A 10 38.715 53.561 23.818 1.00 0.00 SBOX C ATOM 74 H1' ADE A 10 38.037 53.694 24.661 1.00 0.00 SBOX ATOM 75 N9 ADE A 10 40.015 53.809 24.387 1.00 0.00 SBOX N ATOM 76 C8 ADE A 10 41.109 53.030 24.353 1.00 0.00 SBOX C ATOM 77 H8 ADE A 10 41.166 52.083 23.838 1.00 0.00 SBOX ATOM 78 N7 ADE A 10 42.100 53.480 25.064 1.00 0.00 SBOX N ATOM 79 C5 ADE A 10 41.577 54.704 25.557 1.00 0.00 SBOX C ATOM 80 C6 ADE A 10 41.983 55.771 26.432 1.00 0.00 SBOX C ATOM 81 N6 ADE A 10 43.075 55.766 27.217 1.00 0.00 SBOX N ATOM 82 H61 ADE A 10 43.299 56.585 27.766 1.00 0.00 SBOX ATOM 83 H62 ADE A 10 43.610 54.916 27.108 1.00 0.00 SBOX ATOM 84 N1 ADE A 10 41.228 56.857 26.658 1.00 0.00 SBOX N ATOM 85 C2 ADE A 10 40.064 56.960 26.106 1.00 0.00 SBOX C ATOM 86 H2 ADE A 10 39.532 57.871 26.338 1.00 0.00 SBOX ATOM 87 N3 ADE A 10 39.456 55.999 25.368 1.00 0.00 SBOX N ATOM 88 C4 ADE A 10 40.266 54.893 25.128 1.00 0.00 SBOX C ATOM 89 C3' ADE A 10 38.601 53.714 21.568 1.00 0.00 SBOX C ATOM 90 H3' ADE A 10 39.643 54.015 21.456 1.00 0.00 SBOX ATOM 91 C2' ADE A 10 38.124 54.495 22.739 1.00 0.00 SBOX C ATOM 92 H2'' ADE A 10 38.513 55.514 22.751 1.00 0.00 SBOX ATOM 93 O2' ADE A 10 36.746 54.578 22.860 1.00 0.00 SBOX O ATOM 94 H2' ADE A 10 36.560 55.417 23.287 1.00 0.00 SBOX ATOM 95 O3' ADE A 10 37.800 53.951 20.368 1.00 0.00 SBOX O ATOM 96 P GUA A 11 38.269 55.006 19.314 1.00 0.00 SBOX P ATOM 97 O1P GUA A 11 39.565 54.568 18.728 1.00 0.00 SBOX ATOM 98 O2P GUA A 11 37.167 55.408 18.477 1.00 0.00 SBOX ATOM 99 O5' GUA A 11 38.604 56.312 20.178 1.00 0.00 SBOX O ATOM 100 C5' GUA A 11 37.670 57.316 20.544 1.00 0.00 SBOX C ATOM 101 H5' GUA A 11 37.002 56.808 21.240 1.00 0.00 SBOX ATOM 102 H5'' GUA A 11 37.006 57.562 19.715 1.00 0.00 SBOX ATOM 103 C4' GUA A 11 38.230 58.542 21.210 1.00 0.00 SBOX C ATOM 104 H4' GUA A 11 37.343 59.102 21.506 1.00 0.00 SBOX ATOM 105 O4' GUA A 11 38.896 58.026 22.341 1.00 0.00 SBOX O ATOM 106 C1' GUA A 11 40.106 58.778 22.584 1.00 0.00 SBOX C ATOM 107 H1' GUA A 11 40.025 59.279 23.549 1.00 0.00 SBOX ATOM 108 N9 GUA A 11 41.317 57.906 22.579 1.00 0.00 SBOX N ATOM 109 C8 GUA A 11 41.523 56.733 21.931 1.00 0.00 SBOX C ATOM 110 H8 GUA A 11 40.858 56.491 21.115 1.00 0.00 SBOX ATOM 111 N7 GUA A 11 42.569 56.063 22.225 1.00 0.00 SBOX N ATOM 112 C5 GUA A 11 43.085 56.811 23.326 1.00 0.00 SBOX C ATOM 113 C6 GUA A 11 44.260 56.671 24.196 1.00 0.00 SBOX C ATOM 114 O6 GUA A 11 45.034 55.726 24.265 1.00 0.00 SBOX O ATOM 115 N1 GUA A 11 44.432 57.710 25.111 1.00 0.00 SBOX N ATOM 116 H1 GUA A 11 45.357 57.793 25.508 1.00 0.00 SBOX ATOM 117 C2 GUA A 11 43.661 58.805 25.102 1.00 0.00 SBOX C ATOM 118 N2 GUA A 11 44.202 59.714 25.764 1.00 0.00 SBOX N ATOM 119 H21 GUA A 11 45.208 59.650 25.826 1.00 0.00 SBOX ATOM 120 H22 GUA A 11 43.782 60.631 25.711 1.00 0.00 SBOX ATOM 121 N3 GUA A 11 42.606 58.982 24.392 1.00 0.00 SBOX N ATOM 122 C4 GUA A 11 42.391 57.963 23.501 1.00 0.00 SBOX C ATOM 123 C3' GUA A 11 39.305 59.258 20.303 1.00 0.00 SBOX C ATOM 124 H3' GUA A 11 39.904 58.542 19.741 1.00 0.00 SBOX ATOM 125 C2' GUA A 11 40.169 59.834 21.468 1.00 0.00 SBOX C ATOM 126 H2'' GUA A 11 41.190 60.022 21.135 1.00 0.00 SBOX ATOM 127 O2' GUA A 11 39.545 60.998 21.958 1.00 0.00 SBOX O ATOM 128 H2' GUA A 11 39.985 61.401 22.710 1.00 0.00 SBOX ATOM 129 O3' GUA A 11 38.728 60.212 19.343 1.00 0.00 SBOX O ATOM 130 P ADE A 12 39.535 60.789 18.152 1.00 0.00 SBOX P ATOM 131 O1P ADE A 12 40.212 59.698 17.378 1.00 0.00 SBOX ATOM 132 O2P ADE A 12 38.524 61.531 17.421 1.00 0.00 SBOX ATOM 133 O5' ADE A 12 40.696 61.755 18.592 1.00 0.00 SBOX O ATOM 134 C5' ADE A 12 40.422 63.130 18.934 1.00 0.00 SBOX C ATOM 135 H5' ADE A 12 39.899 63.152 19.890 1.00 0.00 SBOX ATOM 136 H5'' ADE A 12 39.827 63.668 18.195 1.00 0.00 SBOX ATOM 137 C4' ADE A 12 41.700 63.737 19.288 1.00 0.00 SBOX C ATOM 138 H4' ADE A 12 41.551 64.746 19.674 1.00 0.00 SBOX ATOM 139 O4' ADE A 12 42.254 63.060 20.402 1.00 0.00 SBOX O ATOM 140 C1' ADE A 12 43.698 63.099 20.434 1.00 0.00 SBOX C ATOM 141 H1' ADE A 12 43.980 63.654 21.329 1.00 0.00 SBOX ATOM 142 N9 ADE A 12 44.142 61.734 20.363 1.00 0.00 SBOX N ATOM 143 C8 ADE A 12 43.854 60.801 19.353 1.00 0.00 SBOX C ATOM 144 H8 ADE A 12 43.279 60.907 18.444 1.00 0.00 SBOX ATOM 145 N7 ADE A 12 44.176 59.571 19.700 1.00 0.00 SBOX N ATOM 146 C5 ADE A 12 44.756 59.791 20.969 1.00 0.00 SBOX C ATOM 147 C6 ADE A 12 45.449 58.920 21.864 1.00 0.00 SBOX C ATOM 148 N6 ADE A 12 45.634 57.639 21.701 1.00 0.00 SBOX N ATOM 149 H61 ADE A 12 46.038 57.114 22.464 1.00 0.00 SBOX ATOM 150 H62 ADE A 12 45.296 57.114 20.907 1.00 0.00 SBOX ATOM 151 N1 ADE A 12 45.932 59.400 23.045 1.00 0.00 SBOX N ATOM 152 C2 ADE A 12 45.898 60.672 23.216 1.00 0.00 SBOX C ATOM 153 H2 ADE A 12 46.362 61.021 24.126 1.00 0.00 SBOX ATOM 154 N3 ADE A 12 45.442 61.596 22.437 1.00 0.00 SBOX N ATOM 155 C4 ADE A 12 44.770 61.096 21.389 1.00 0.00 SBOX C ATOM 156 C3' ADE A 12 42.848 63.771 18.315 1.00 0.00 SBOX C ATOM 157 H3' ADE A 12 42.876 62.811 17.799 1.00 0.00 SBOX ATOM 158 C2' ADE A 12 44.145 63.898 19.221 1.00 0.00 SBOX C ATOM 159 H2'' ADE A 12 44.945 63.312 18.768 1.00 0.00 SBOX ATOM 160 O2' ADE A 12 44.635 65.112 19.735 1.00 0.00 SBOX O ATOM 161 H2' ADE A 12 45.530 64.981 20.058 1.00 0.00 SBOX ATOM 162 O3' ADE A 12 42.798 64.822 17.387 1.00 0.00 SBOX O ATOM 163 P GUA A 13 41.867 64.864 16.129 1.00 0.00 SBOX P ATOM 164 O1P GUA A 13 42.031 63.721 15.268 1.00 0.00 SBOX ATOM 165 O2P GUA A 13 40.552 65.347 16.583 1.00 0.00 SBOX ATOM 166 O5' GUA A 13 42.399 66.058 15.278 1.00 0.00 SBOX O ATOM 167 C5' GUA A 13 43.445 65.975 14.250 1.00 0.00 SBOX C ATOM 168 H5' GUA A 13 42.928 65.554 13.387 1.00 0.00 SBOX ATOM 169 H5'' GUA A 13 44.233 65.268 14.509 1.00 0.00 SBOX ATOM 170 C4' GUA A 13 43.956 67.443 13.965 1.00 0.00 SBOX C ATOM 171 H4' GUA A 13 43.056 68.034 13.802 1.00 0.00 SBOX ATOM 172 O4' GUA A 13 44.679 67.920 15.119 1.00 0.00 SBOX O ATOM 173 C1' GUA A 13 45.551 68.895 14.747 1.00 0.00 SBOX C ATOM 174 H1' GUA A 13 45.299 69.843 15.221 1.00 0.00 SBOX ATOM 175 N9 GUA A 13 46.874 68.532 15.347 1.00 0.00 SBOX N ATOM 176 C8 GUA A 13 47.499 67.308 15.326 1.00 0.00 SBOX C ATOM 177 H8 GUA A 13 46.996 66.510 14.801 1.00 0.00 SBOX ATOM 178 N7 GUA A 13 48.625 67.375 15.948 1.00 0.00 SBOX N ATOM 179 C5 GUA A 13 48.763 68.628 16.303 1.00 0.00 SBOX C ATOM 180 C6 GUA A 13 49.785 69.322 17.040 1.00 0.00 SBOX C ATOM 181 O6 GUA A 13 50.650 68.782 17.708 1.00 0.00 SBOX O ATOM 182 N1 GUA A 13 49.688 70.683 16.992 1.00 0.00 SBOX N ATOM 183 H1 GUA A 13 50.358 71.234 17.508 1.00 0.00 SBOX ATOM 184 C2 GUA A 13 48.682 71.336 16.396 1.00 0.00 SBOX C ATOM 185 N2 GUA A 13 48.757 72.631 16.363 1.00 0.00 SBOX N ATOM 186 H21 GUA A 13 49.502 73.002 16.937 1.00 0.00 SBOX ATOM 187 H22 GUA A 13 47.936 73.062 15.963 1.00 0.00 SBOX ATOM 188 N3 GUA A 13 47.556 70.778 15.929 1.00 0.00 SBOX N ATOM 189 C4 GUA A 13 47.709 69.435 15.843 1.00 0.00 SBOX C ATOM 190 C3' GUA A 13 44.966 67.666 12.839 1.00 0.00 SBOX C ATOM 191 H3' GUA A 13 45.615 66.806 12.672 1.00 0.00 SBOX ATOM 192 C2' GUA A 13 45.657 69.017 13.268 1.00 0.00 SBOX C ATOM 193 H2'' GUA A 13 46.682 68.991 12.899 1.00 0.00 SBOX ATOM 194 O2' GUA A 13 44.840 70.089 12.919 1.00 0.00 SBOX O ATOM 195 H2' GUA A 13 44.811 70.126 11.960 1.00 0.00 SBOX ATOM 196 O3' GUA A 13 44.317 67.784 11.586 1.00 0.00 SBOX O ATOM 197 P ADE A 14 44.070 66.559 10.616 1.00 0.00 SBOX P ATOM 198 O1P ADE A 14 45.006 65.485 10.913 1.00 0.00 SBOX ATOM 199 O2P ADE A 14 42.600 66.333 10.658 1.00 0.00 SBOX ATOM 200 O5' ADE A 14 44.444 67.239 9.215 1.00 0.00 SBOX O ATOM 201 C5' ADE A 14 45.782 67.497 8.791 1.00 0.00 SBOX C ATOM 202 H5' ADE A 14 46.306 66.623 8.402 1.00 0.00 SBOX ATOM 203 H5'' ADE A 14 46.419 67.809 9.619 1.00 0.00 SBOX ATOM 204 C4' ADE A 14 45.768 68.539 7.680 1.00 0.00 SBOX C ATOM 205 H4' ADE A 14 46.731 69.020 7.504 1.00 0.00 SBOX ATOM 206 O4' ADE A 14 45.577 67.923 6.371 1.00 0.00 SBOX O ATOM 207 C1' ADE A 14 44.326 68.321 5.776 1.00 0.00 SBOX C ATOM 208 H1' ADE A 14 44.418 68.580 4.721 1.00 0.00 SBOX ATOM 209 N9 ADE A 14 43.277 67.305 5.863 1.00 0.00 SBOX N ATOM 210 C8 ADE A 14 43.256 66.067 6.562 1.00 0.00 SBOX C ATOM 211 H8 ADE A 14 44.101 65.723 7.139 1.00 0.00 SBOX ATOM 212 N7 ADE A 14 42.248 65.322 6.343 1.00 0.00 SBOX N ATOM 213 C5 ADE A 14 41.462 66.139 5.507 1.00 0.00 SBOX C ATOM 214 C6 ADE A 14 40.219 65.971 4.893 1.00 0.00 SBOX C ATOM 215 N6 ADE A 14 39.343 64.988 5.053 1.00 0.00 SBOX N ATOM 216 H61 ADE A 14 38.569 64.977 4.404 1.00 0.00 SBOX ATOM 217 H62 ADE A 14 39.362 64.194 5.678 1.00 0.00 SBOX ATOM 218 N1 ADE A 14 39.784 66.798 3.995 1.00 0.00 SBOX N ATOM 219 C2 ADE A 14 40.515 67.826 3.711 1.00 0.00 SBOX C ATOM 220 H2 ADE A 14 40.122 68.408 2.890 1.00 0.00 SBOX ATOM 221 N3 ADE A 14 41.706 68.171 4.211 1.00 0.00 SBOX N ATOM 222 C4 ADE A 14 42.093 67.253 5.113 1.00 0.00 SBOX C ATOM 223 C3' ADE A 14 44.708 69.618 7.874 1.00 0.00 SBOX C ATOM 224 H3' ADE A 14 44.023 69.417 8.697 1.00 0.00 SBOX ATOM 225 C2' ADE A 14 43.951 69.617 6.470 1.00 0.00 SBOX C ATOM 226 H2'' ADE A 14 42.919 69.632 6.820 1.00 0.00 SBOX ATOM 227 O2' ADE A 14 44.336 70.784 5.727 1.00 0.00 SBOX O ATOM 228 H2' ADE A 14 45.233 71.051 5.941 1.00 0.00 SBOX ATOM 229 O3' ADE A 14 45.411 70.832 8.132 1.00 0.00 SBOX O ATOM 230 P GUA A 15 45.403 71.616 9.475 1.00 0.00 SBOX P ATOM 231 O1P GUA A 15 43.994 71.970 9.660 1.00 0.00 SBOX ATOM 232 O2P GUA A 15 46.152 70.960 10.562 1.00 0.00 SBOX ATOM 233 O5' GUA A 15 46.153 72.928 9.079 1.00 0.00 SBOX O ATOM 234 C5' GUA A 15 47.581 73.061 9.245 1.00 0.00 SBOX C ATOM 235 H5' GUA A 15 48.097 73.057 8.285 1.00 0.00 SBOX ATOM 236 H5'' GUA A 15 47.899 72.142 9.739 1.00 0.00 SBOX ATOM 237 C4' GUA A 15 47.862 74.268 10.123 1.00 0.00 SBOX C ATOM 238 H4' GUA A 15 47.249 75.116 9.817 1.00 0.00 SBOX ATOM 239 O4' GUA A 15 47.783 74.126 11.559 1.00 0.00 SBOX O ATOM 240 C1' GUA A 15 48.982 74.553 12.159 1.00 0.00 SBOX C ATOM 241 H1' GUA A 15 48.768 75.166 13.035 1.00 0.00 SBOX ATOM 242 N9 GUA A 15 49.666 73.370 12.754 1.00 0.00 SBOX N ATOM 243 C8 GUA A 15 49.443 72.077 12.463 1.00 0.00 SBOX C ATOM 244 H8 GUA A 15 48.631 71.673 11.876 1.00 0.00 SBOX ATOM 245 N7 GUA A 15 50.189 71.254 13.167 1.00 0.00 SBOX N ATOM 246 C5 GUA A 15 51.045 72.093 13.909 1.00 0.00 SBOX C ATOM 247 C6 GUA A 15 52.092 71.906 14.909 1.00 0.00 SBOX C ATOM 248 O6 GUA A 15 52.430 70.810 15.330 1.00 0.00 SBOX O ATOM 249 N1 GUA A 15 52.735 73.045 15.351 1.00 0.00 SBOX N ATOM 250 H1 GUA A 15 53.635 72.984 15.805 1.00 0.00 SBOX ATOM 251 C2 GUA A 15 52.241 74.274 15.122 1.00 0.00 SBOX C ATOM 252 N2 GUA A 15 52.915 75.265 15.660 1.00 0.00 SBOX N ATOM 253 H21 GUA A 15 53.652 75.192 16.346 1.00 0.00 SBOX ATOM 254 H22 GUA A 15 52.572 76.183 15.412 1.00 0.00 SBOX ATOM 255 N3 GUA A 15 51.254 74.599 14.280 1.00 0.00 SBOX N ATOM 256 C4 GUA A 15 50.702 73.482 13.677 1.00 0.00 SBOX C ATOM 257 C3' GUA A 15 49.283 74.686 9.858 1.00 0.00 SBOX C ATOM 258 H3' GUA A 15 49.787 73.742 9.652 1.00 0.00 SBOX ATOM 259 C2' GUA A 15 49.685 75.388 11.177 1.00 0.00 SBOX C ATOM 260 H2'' GUA A 15 50.767 75.322 11.282 1.00 0.00 SBOX ATOM 261 O2' GUA A 15 49.247 76.764 11.401 1.00 0.00 SBOX O ATOM 262 H2' GUA A 15 49.353 76.893 12.346 1.00 0.00 SBOX ATOM 263 O3' GUA A 15 49.301 75.597 8.743 1.00 0.00 SBOX O ATOM 264 P GUA A 16 50.644 76.070 7.981 1.00 0.00 SBOX P ATOM 265 O1P GUA A 16 51.316 74.834 7.518 1.00 0.00 SBOX ATOM 266 O2P GUA A 16 50.118 77.145 7.077 1.00 0.00 SBOX ATOM 267 O5' GUA A 16 51.450 76.839 9.126 1.00 0.00 SBOX O ATOM 268 C5' GUA A 16 52.865 77.088 8.854 1.00 0.00 SBOX C ATOM 269 H5' GUA A 16 52.957 77.856 8.086 1.00 0.00 SBOX ATOM 270 H5'' GUA A 16 53.405 76.205 8.511 1.00 0.00 SBOX ATOM 271 C4' GUA A 16 53.626 77.412 10.155 1.00 0.00 SBOX C ATOM 272 H4' GUA A 16 53.401 78.464 10.335 1.00 0.00 SBOX ATOM 273 O4' GUA A 16 53.181 76.709 11.281 1.00 0.00 SBOX O ATOM 274 C1' GUA A 16 54.289 76.497 12.169 1.00 0.00 SBOX C ATOM 275 H1' GUA A 16 54.022 77.009 13.094 1.00 0.00 SBOX ATOM 276 N9 GUA A 16 54.366 75.050 12.326 1.00 0.00 SBOX N ATOM 277 C8 GUA A 16 53.681 74.092 11.633 1.00 0.00 SBOX C ATOM 278 H8 GUA A 16 52.994 74.319 10.832 1.00 0.00 SBOX ATOM 279 N7 GUA A 16 53.983 72.874 11.989 1.00 0.00 SBOX N ATOM 280 C5 GUA A 16 54.955 73.044 12.949 1.00 0.00 SBOX C ATOM 281 C6 GUA A 16 55.715 72.126 13.729 1.00 0.00 SBOX C ATOM 282 O6 GUA A 16 55.629 70.900 13.734 1.00 0.00 SBOX O ATOM 283 N1 GUA A 16 56.678 72.675 14.644 1.00 0.00 SBOX N ATOM 284 H1 GUA A 16 57.356 72.113 15.140 1.00 0.00 SBOX ATOM 285 C2 GUA A 16 56.771 74.015 14.763 1.00 0.00 SBOX C ATOM 286 N2 GUA A 16 57.882 74.401 15.334 1.00 0.00 SBOX N ATOM 287 H21 GUA A 16 58.451 73.717 15.814 1.00 0.00 SBOX ATOM 288 H22 GUA A 16 57.890 75.403 15.458 1.00 0.00 SBOX ATOM 289 N3 GUA A 16 56.031 74.931 14.087 1.00 0.00 SBOX N ATOM 290 C4 GUA A 16 55.174 74.406 13.208 1.00 0.00 SBOX C ATOM 291 C3' GUA A 16 55.122 77.198 9.992 1.00 0.00 SBOX C ATOM 292 H3' GUA A 16 55.421 76.209 9.646 1.00 0.00 SBOX ATOM 293 C2' GUA A 16 55.498 77.115 11.458 1.00 0.00 SBOX C ATOM 294 H2'' GUA A 16 56.476 76.645 11.558 1.00 0.00 SBOX ATOM 295 O2' GUA A 16 55.490 78.389 12.106 1.00 0.00 SBOX O ATOM 296 H2' GUA A 16 55.625 78.159 13.029 1.00 0.00 SBOX ATOM 297 O3' GUA A 16 55.854 78.252 9.304 1.00 0.00 SBOX O ATOM 298 P URA A 17 57.058 77.948 8.300 1.00 0.00 SBOX P ATOM 299 O1P URA A 17 56.515 76.952 7.397 1.00 0.00 SBOX ATOM 300 O2P URA A 17 57.629 79.180 7.838 1.00 0.00 SBOX ATOM 301 O5' URA A 17 58.028 77.179 9.324 1.00 0.00 SBOX O ATOM 302 C5' URA A 17 59.091 77.881 9.970 1.00 0.00 SBOX C ATOM 303 H5' URA A 17 58.654 78.676 10.574 1.00 0.00 SBOX ATOM 304 H5'' URA A 17 59.802 78.362 9.299 1.00 0.00 SBOX ATOM 305 C4' URA A 17 59.857 77.089 10.980 1.00 0.00 SBOX C ATOM 306 H4' URA A 17 60.396 77.841 11.557 1.00 0.00 SBOX ATOM 307 O4' URA A 17 59.034 76.464 11.918 1.00 0.00 SBOX O ATOM 308 C1' URA A 17 59.788 75.489 12.525 1.00 0.00 SBOX C ATOM 309 H1' URA A 17 59.683 75.699 13.589 1.00 0.00 SBOX ATOM 310 N1 URA A 17 59.103 74.146 12.228 1.00 0.00 SBOX N ATOM 311 C6 URA A 17 58.060 74.000 11.288 1.00 0.00 SBOX C ATOM 312 H6 URA A 17 57.700 74.793 10.648 1.00 0.00 SBOX ATOM 313 C5 URA A 17 57.629 72.722 10.948 1.00 0.00 SBOX C ATOM 314 H5 URA A 17 56.812 72.610 10.251 1.00 0.00 SBOX ATOM 315 C4 URA A 17 58.201 71.500 11.597 1.00 0.00 SBOX C ATOM 316 O4 URA A 17 57.806 70.369 11.440 1.00 0.00 SBOX O ATOM 317 N3 URA A 17 59.217 71.726 12.436 1.00 0.00 SBOX N ATOM 318 H3 URA A 17 59.501 70.911 12.962 1.00 0.00 SBOX ATOM 319 C2 URA A 17 59.602 72.985 12.916 1.00 0.00 SBOX C ATOM 320 O2 URA A 17 60.328 73.040 13.855 1.00 0.00 SBOX O ATOM 321 C3' URA A 17 60.938 76.080 10.514 1.00 0.00 SBOX C ATOM 322 H3' URA A 17 60.572 75.391 9.753 1.00 0.00 SBOX ATOM 323 C2' URA A 17 61.217 75.428 11.973 1.00 0.00 SBOX C ATOM 324 H2'' URA A 17 61.680 74.442 11.954 1.00 0.00 SBOX ATOM 325 O2' URA A 17 62.003 76.295 12.805 1.00 0.00 SBOX O ATOM 326 H2' URA A 17 62.189 75.916 13.668 1.00 0.00 SBOX ATOM 327 O3' URA A 17 62.142 76.646 9.944 1.00 0.00 SBOX O ATOM 328 P GUA A 18 62.826 76.011 8.670 1.00 0.00 SBOX P ATOM 329 O1P GUA A 18 61.769 75.770 7.661 1.00 0.00 SBOX ATOM 330 O2P GUA A 18 63.972 76.909 8.447 1.00 0.00 SBOX ATOM 331 O5' GUA A 18 63.404 74.568 9.079 1.00 0.00 SBOX O ATOM 332 C5' GUA A 18 64.209 74.466 10.268 1.00 0.00 SBOX C ATOM 333 H5' GUA A 18 63.769 75.033 11.088 1.00 0.00 SBOX ATOM 334 H5'' GUA A 18 65.222 74.831 10.095 1.00 0.00 SBOX ATOM 335 C4' GUA A 18 64.329 73.016 10.812 1.00 0.00 SBOX C ATOM 336 H4' GUA A 18 65.060 73.035 11.620 1.00 0.00 SBOX ATOM 337 O4' GUA A 18 63.133 72.549 11.361 1.00 0.00 SBOX O ATOM 338 C1' GUA A 18 62.719 71.250 10.783 1.00 0.00 SBOX C ATOM 339 H1' GUA A 18 62.412 70.625 11.622 1.00 0.00 SBOX ATOM 340 N9 GUA A 18 61.519 71.391 9.920 1.00 0.00 SBOX N ATOM 341 C8 GUA A 18 61.103 72.532 9.300 1.00 0.00 SBOX C ATOM 342 H8 GUA A 18 61.560 73.492 9.488 1.00 0.00 SBOX ATOM 343 N7 GUA A 18 60.091 72.339 8.517 1.00 0.00 SBOX N ATOM 344 C5 GUA A 18 59.760 70.908 8.666 1.00 0.00 SBOX C ATOM 345 C6 GUA A 18 58.626 70.117 8.235 1.00 0.00 SBOX C ATOM 346 O6 GUA A 18 57.628 70.446 7.682 1.00 0.00 SBOX O ATOM 347 N1 GUA A 18 58.698 68.831 8.715 1.00 0.00 SBOX N ATOM 348 H1 GUA A 18 57.946 68.173 8.567 1.00 0.00 SBOX ATOM 349 C2 GUA A 18 59.540 68.328 9.494 1.00 0.00 SBOX C ATOM 350 N2 GUA A 18 59.315 67.152 9.845 1.00 0.00 SBOX N ATOM 351 H21 GUA A 18 58.525 66.682 9.426 1.00 0.00 SBOX ATOM 352 H22 GUA A 18 59.919 66.673 10.498 1.00 0.00 SBOX ATOM 353 N3 GUA A 18 60.590 68.991 9.944 1.00 0.00 SBOX N ATOM 354 C4 GUA A 18 60.669 70.328 9.555 1.00 0.00 SBOX C ATOM 355 C3' GUA A 18 64.737 71.929 9.735 1.00 0.00 SBOX C ATOM 356 H3' GUA A 18 64.528 72.126 8.684 1.00 0.00 SBOX ATOM 357 C2' GUA A 18 63.953 70.693 10.185 1.00 0.00 SBOX C ATOM 358 H2'' GUA A 18 63.791 70.043 9.326 1.00 0.00 SBOX ATOM 359 O2' GUA A 18 64.583 70.046 11.291 1.00 0.00 SBOX O ATOM 360 H2' GUA A 18 65.505 70.036 11.022 1.00 0.00 SBOX ATOM 361 O3' GUA A 18 66.085 71.607 9.817 1.00 0.00 SBOX O ATOM 362 P GUA A 19 67.092 72.370 8.832 1.00 0.00 SBOX P ATOM 363 O1P GUA A 19 66.477 72.740 7.536 1.00 0.00 SBOX ATOM 364 O2P GUA A 19 67.637 73.490 9.665 1.00 0.00 SBOX ATOM 365 O5' GUA A 19 68.230 71.278 8.561 1.00 0.00 SBOX O ATOM 366 C5' GUA A 19 68.198 70.341 7.451 1.00 0.00 SBOX C ATOM 367 H5' GUA A 19 69.194 70.059 7.109 1.00 0.00 SBOX ATOM 368 H5'' GUA A 19 67.550 70.716 6.659 1.00 0.00 SBOX ATOM 369 C4' GUA A 19 67.416 69.041 7.741 1.00 0.00 SBOX C ATOM 370 H4' GUA A 19 67.957 68.586 8.571 1.00 0.00 SBOX ATOM 371 O4' GUA A 19 66.144 69.277 8.357 1.00 0.00 SBOX O ATOM 372 C1' GUA A 19 65.134 68.414 7.721 1.00 0.00 SBOX C ATOM 373 H1' GUA A 19 64.512 67.919 8.467 1.00 0.00 SBOX ATOM 374 N9 GUA A 19 64.233 69.125 6.912 1.00 0.00 SBOX N ATOM 375 C8 GUA A 19 64.516 70.327 6.381 1.00 0.00 SBOX C ATOM 376 H8 GUA A 19 65.544 70.655 6.414 1.00 0.00 SBOX ATOM 377 N7 GUA A 19 63.511 70.835 5.770 1.00 0.00 SBOX N ATOM 378 C5 GUA A 19 62.450 69.962 5.974 1.00 0.00 SBOX C ATOM 379 C6 GUA A 19 61.098 69.942 5.534 1.00 0.00 SBOX C ATOM 380 O6 GUA A 19 60.460 70.681 4.814 1.00 0.00 SBOX O ATOM 381 N1 GUA A 19 60.387 68.880 6.072 1.00 0.00 SBOX N ATOM 382 H1 GUA A 19 59.467 68.763 5.673 1.00 0.00 SBOX ATOM 383 C2 GUA A 19 60.842 67.852 6.788 1.00 0.00 SBOX C ATOM 384 N2 GUA A 19 60.082 66.816 6.639 1.00 0.00 SBOX N ATOM 385 H21 GUA A 19 59.296 66.797 6.005 1.00 0.00 SBOX ATOM 386 H22 GUA A 19 60.376 65.991 7.143 1.00 0.00 SBOX ATOM 387 N3 GUA A 19 62.119 67.804 7.213 1.00 0.00 SBOX N ATOM 388 C4 GUA A 19 62.862 68.876 6.787 1.00 0.00 SBOX C ATOM 389 C3' GUA A 19 67.190 68.083 6.573 1.00 0.00 SBOX C ATOM 390 H3' GUA A 19 67.003 68.752 5.733 1.00 0.00 SBOX ATOM 391 C2' GUA A 19 65.973 67.291 7.033 1.00 0.00 SBOX C ATOM 392 H2'' GUA A 19 65.422 66.917 6.170 1.00 0.00 SBOX ATOM 393 O2' GUA A 19 66.179 66.195 7.984 1.00 0.00 SBOX O ATOM 394 H2' GUA A 19 66.459 65.393 7.537 1.00 0.00 SBOX ATOM 395 O3' GUA A 19 68.321 67.291 6.312 1.00 0.00 SBOX O ATOM 396 P ADE A 20 68.258 66.183 5.154 1.00 0.00 SBOX P ATOM 397 O1P ADE A 20 67.177 66.588 4.238 1.00 0.00 SBOX ATOM 398 O2P ADE A 20 69.603 65.877 4.591 1.00 0.00 SBOX ATOM 399 O5' ADE A 20 67.590 64.965 5.926 1.00 0.00 SBOX O ATOM 400 C5' ADE A 20 68.342 64.051 6.717 1.00 0.00 SBOX C ATOM 401 H5' ADE A 20 68.852 64.530 7.553 1.00 0.00 SBOX ATOM 402 H5'' ADE A 20 69.185 63.756 6.091 1.00 0.00 SBOX ATOM 403 C4' ADE A 20 67.483 62.849 7.076 1.00 0.00 SBOX C ATOM 404 H4' ADE A 20 67.775 62.399 8.025 1.00 0.00 SBOX ATOM 405 O4' ADE A 20 66.091 63.240 7.192 1.00 0.00 SBOX O ATOM 406 C1' ADE A 20 65.242 62.301 6.592 1.00 0.00 SBOX C ATOM 407 H1' ADE A 20 64.891 61.747 7.462 1.00 0.00 SBOX ATOM 408 N9 ADE A 20 64.136 62.917 5.905 1.00 0.00 SBOX N ATOM 409 C8 ADE A 20 64.192 64.084 5.298 1.00 0.00 SBOX C ATOM 410 H8 ADE A 20 65.056 64.730 5.248 1.00 0.00 SBOX ATOM 411 N7 ADE A 20 63.089 64.276 4.602 1.00 0.00 SBOX N ATOM 412 C5 ADE A 20 62.230 63.218 4.999 1.00 0.00 SBOX C ATOM 413 C6 ADE A 20 60.914 62.690 4.664 1.00 0.00 SBOX C ATOM 414 N6 ADE A 20 60.025 63.225 3.920 1.00 0.00 SBOX N ATOM 415 H61 ADE A 20 59.142 62.780 4.124 1.00 0.00 SBOX ATOM 416 H62 ADE A 20 60.144 64.173 3.592 1.00 0.00 SBOX ATOM 417 N1 ADE A 20 60.360 61.636 5.267 1.00 0.00 SBOX N ATOM 418 C2 ADE A 20 61.198 60.884 5.963 1.00 0.00 SBOX C ATOM 419 H2 ADE A 20 60.806 59.992 6.429 1.00 0.00 SBOX ATOM 420 N3 ADE A 20 62.462 61.117 6.257 1.00 0.00 SBOX N ATOM 421 C4 ADE A 20 62.913 62.330 5.778 1.00 0.00 SBOX C ATOM 422 C3' ADE A 20 67.519 61.828 5.947 1.00 0.00 SBOX C ATOM 423 H3' ADE A 20 67.694 62.438 5.061 1.00 0.00 SBOX ATOM 424 C2' ADE A 20 66.049 61.387 5.680 1.00 0.00 SBOX C ATOM 425 H2'' ADE A 20 65.772 61.441 4.627 1.00 0.00 SBOX ATOM 426 O2' ADE A 20 65.651 60.048 6.136 1.00 0.00 SBOX O ATOM 427 H2' ADE A 20 66.158 59.940 6.944 1.00 0.00 SBOX ATOM 428 O3' ADE A 20 68.449 60.795 6.030 1.00 0.00 SBOX O ATOM 429 P GUA A 21 68.922 60.160 7.440 1.00 0.00 SBOX P ATOM 430 O1P GUA A 21 69.414 58.741 7.202 1.00 0.00 SBOX ATOM 431 O2P GUA A 21 69.873 61.166 8.025 1.00 0.00 SBOX ATOM 432 O5' GUA A 21 67.547 60.197 8.283 1.00 0.00 SBOX O ATOM 433 C5' GUA A 21 67.339 59.673 9.602 1.00 0.00 SBOX C ATOM 434 H5' GUA A 21 68.027 60.248 10.222 1.00 0.00 SBOX ATOM 435 H5'' GUA A 21 67.561 58.606 9.584 1.00 0.00 SBOX ATOM 436 C4' GUA A 21 65.883 59.902 10.182 1.00 0.00 SBOX C ATOM 437 H4' GUA A 21 65.875 60.777 10.831 1.00 0.00 SBOX ATOM 438 O4' GUA A 21 65.008 60.123 9.170 1.00 0.00 SBOX O ATOM 439 C1' GUA A 21 63.742 59.492 9.400 1.00 0.00 SBOX C ATOM 440 H1' GUA A 21 62.872 60.140 9.291 1.00 0.00 SBOX ATOM 441 N9 GUA A 21 63.542 58.324 8.502 1.00 0.00 SBOX N ATOM 442 C8 GUA A 21 64.523 57.436 8.014 1.00 0.00 SBOX C ATOM 443 H8 GUA A 21 65.586 57.499 8.197 1.00 0.00 SBOX ATOM 444 N7 GUA A 21 64.060 56.517 7.261 1.00 0.00 SBOX N ATOM 445 C5 GUA A 21 62.669 56.692 7.347 1.00 0.00 SBOX C ATOM 446 C6 GUA A 21 61.595 55.785 7.006 1.00 0.00 SBOX C ATOM 447 O6 GUA A 21 61.543 54.762 6.399 1.00 0.00 SBOX O ATOM 448 N1 GUA A 21 60.367 56.264 7.432 1.00 0.00 SBOX N ATOM 449 H1 GUA A 21 59.582 55.651 7.263 1.00 0.00 SBOX ATOM 450 C2 GUA A 21 60.142 57.392 8.106 1.00 0.00 SBOX C ATOM 451 N2 GUA A 21 58.960 57.374 8.671 1.00 0.00 SBOX N ATOM 452 H21 GUA A 21 58.217 56.721 8.468 1.00 0.00 SBOX ATOM 453 H22 GUA A 21 58.850 58.021 9.439 1.00 0.00 SBOX ATOM 454 N3 GUA A 21 61.104 58.195 8.571 1.00 0.00 SBOX N ATOM 455 C4 GUA A 21 62.357 57.823 8.101 1.00 0.00 SBOX C ATOM 456 C3' GUA A 21 65.416 58.714 11.011 1.00 0.00 SBOX C ATOM 457 H3' GUA A 21 65.713 57.803 10.492 1.00 0.00 SBOX ATOM 458 C2' GUA A 21 63.935 58.973 10.822 1.00 0.00 SBOX C ATOM 459 H2'' GUA A 21 63.444 58.004 10.920 1.00 0.00 SBOX ATOM 460 O2' GUA A 21 63.479 59.877 11.861 1.00 0.00 SBOX O ATOM 461 H2' GUA A 21 62.542 60.074 11.786 1.00 0.00 SBOX ATOM 462 O3' GUA A 21 65.848 58.540 12.340 1.00 0.00 SBOX O ATOM 463 P GUA A 22 65.956 57.138 13.048 1.00 0.00 SBOX P ATOM 464 O1P GUA A 22 66.604 56.111 12.189 1.00 0.00 SBOX ATOM 465 O2P GUA A 22 66.567 57.504 14.364 1.00 0.00 SBOX ATOM 466 O5' GUA A 22 64.457 56.690 13.170 1.00 0.00 SBOX O ATOM 467 C5' GUA A 22 63.611 57.460 14.034 1.00 0.00 SBOX C ATOM 468 H5' GUA A 22 63.669 58.542 13.916 1.00 0.00 SBOX ATOM 469 H5'' GUA A 22 63.881 57.310 15.079 1.00 0.00 SBOX ATOM 470 C4' GUA A 22 62.084 57.079 13.882 1.00 0.00 SBOX C ATOM 471 H4' GUA A 22 61.475 57.763 14.472 1.00 0.00 SBOX ATOM 472 O4' GUA A 22 61.673 57.025 12.515 1.00 0.00 SBOX O ATOM 473 C1' GUA A 22 60.603 56.130 12.373 1.00 0.00 SBOX C ATOM 474 H1' GUA A 22 59.696 56.652 12.066 1.00 0.00 SBOX ATOM 475 N9 GUA A 22 60.985 55.111 11.328 1.00 0.00 SBOX N ATOM 476 C8 GUA A 22 62.242 54.913 10.738 1.00 0.00 SBOX C ATOM 477 H8 GUA A 22 63.146 55.381 11.099 1.00 0.00 SBOX ATOM 478 N7 GUA A 22 62.235 53.922 9.832 1.00 0.00 SBOX N ATOM 479 C5 GUA A 22 60.868 53.505 9.834 1.00 0.00 SBOX C ATOM 480 C6 GUA A 22 60.221 52.394 9.154 1.00 0.00 SBOX C ATOM 481 O6 GUA A 22 60.764 51.461 8.595 1.00 0.00 SBOX O ATOM 482 N1 GUA A 22 58.843 52.365 9.344 1.00 0.00 SBOX N ATOM 483 H1 GUA A 22 58.331 51.557 9.017 1.00 0.00 SBOX ATOM 484 C2 GUA A 22 58.177 53.273 10.133 1.00 0.00 SBOX C ATOM 485 N2 GUA A 22 56.963 53.086 10.413 1.00 0.00 SBOX N ATOM 486 H21 GUA A 22 56.377 52.417 9.936 1.00 0.00 SBOX ATOM 487 H22 GUA A 22 56.603 53.824 11.002 1.00 0.00 SBOX ATOM 488 N3 GUA A 22 58.738 54.197 10.830 1.00 0.00 SBOX N ATOM 489 C4 GUA A 22 60.100 54.311 10.634 1.00 0.00 SBOX C ATOM 490 C3' GUA A 22 61.770 55.753 14.399 1.00 0.00 SBOX C ATOM 491 H3' GUA A 22 62.411 55.011 13.924 1.00 0.00 SBOX ATOM 492 C2' GUA A 22 60.415 55.456 13.759 1.00 0.00 SBOX C ATOM 493 H2'' GUA A 22 60.365 54.371 13.666 1.00 0.00 SBOX ATOM 494 O2' GUA A 22 59.311 55.985 14.479 1.00 0.00 SBOX O ATOM 495 H2' GUA A 22 58.765 55.249 14.761 1.00 0.00 SBOX ATOM 496 O3' GUA A 22 61.703 55.545 15.788 1.00 0.00 SBOX O ATOM 497 P GUA A 23 61.799 54.051 16.376 1.00 0.00 SBOX P ATOM 498 O1P GUA A 23 62.983 53.394 15.743 1.00 0.00 SBOX ATOM 499 O2P GUA A 23 61.889 54.208 17.888 1.00 0.00 SBOX ATOM 500 O5' GUA A 23 60.397 53.345 15.954 1.00 0.00 SBOX O ATOM 501 C5' GUA A 23 59.231 53.685 16.583 1.00 0.00 SBOX C ATOM 502 H5' GUA A 23 59.049 54.759 16.587 1.00 0.00 SBOX ATOM 503 H5'' GUA A 23 59.289 53.446 17.645 1.00 0.00 SBOX ATOM 504 C4' GUA A 23 57.931 52.992 15.975 1.00 0.00 SBOX C ATOM 505 H4' GUA A 23 57.076 53.423 16.495 1.00 0.00 SBOX ATOM 506 O4' GUA A 23 57.740 53.288 14.593 1.00 0.00 SBOX O ATOM 507 C1' GUA A 23 57.203 52.079 14.083 1.00 0.00 SBOX C ATOM 508 H1' GUA A 23 56.230 52.258 13.624 1.00 0.00 SBOX ATOM 509 N9 GUA A 23 58.105 51.356 13.205 1.00 0.00 SBOX N ATOM 510 C8 GUA A 23 59.471 51.607 13.098 1.00 0.00 SBOX C ATOM 511 H8 GUA A 23 60.017 52.138 13.864 1.00 0.00 SBOX ATOM 512 N7 GUA A 23 60.090 50.768 12.311 1.00 0.00 SBOX N ATOM 513 C5 GUA A 23 59.038 49.989 11.806 1.00 0.00 SBOX C ATOM 514 C6 GUA A 23 59.056 48.811 10.952 1.00 0.00 SBOX C ATOM 515 O6 GUA A 23 59.979 48.222 10.392 1.00 0.00 SBOX O ATOM 516 N1 GUA A 23 57.804 48.285 10.804 1.00 0.00 SBOX N ATOM 517 H1 GUA A 23 57.666 47.501 10.182 1.00 0.00 SBOX ATOM 518 C2 GUA A 23 56.774 48.660 11.483 1.00 0.00 SBOX C ATOM 519 N2 GUA A 23 55.591 48.160 11.191 1.00 0.00 SBOX N ATOM 520 H21 GUA A 23 55.483 47.316 10.646 1.00 0.00 SBOX ATOM 521 H22 GUA A 23 54.837 48.600 11.698 1.00 0.00 SBOX ATOM 522 N3 GUA A 23 56.677 49.786 12.156 1.00 0.00 SBOX N ATOM 523 C4 GUA A 23 57.874 50.329 12.371 1.00 0.00 SBOX C ATOM 524 C3' GUA A 23 57.943 51.520 16.159 1.00 0.00 SBOX C ATOM 525 H3' GUA A 23 58.947 51.170 15.919 1.00 0.00 SBOX ATOM 526 C2' GUA A 23 56.796 51.193 15.218 1.00 0.00 SBOX C ATOM 527 H2'' GUA A 23 56.864 50.150 14.910 1.00 0.00 SBOX ATOM 528 O2' GUA A 23 55.493 51.554 15.691 1.00 0.00 SBOX O ATOM 529 H2' GUA A 23 55.321 51.064 16.498 1.00 0.00 SBOX ATOM 530 O3' GUA A 23 57.565 51.025 17.456 1.00 0.00 SBOX O ATOM 531 P ADE A 24 57.854 49.520 17.829 1.00 0.00 SBOX P ATOM 532 O1P ADE A 24 56.955 49.217 18.917 1.00 0.00 SBOX ATOM 533 O2P ADE A 24 57.876 48.705 16.594 1.00 0.00 SBOX ATOM 534 O5' ADE A 24 59.323 49.689 18.497 1.00 0.00 SBOX O ATOM 535 C5' ADE A 24 60.037 50.932 18.775 1.00 0.00 SBOX C ATOM 536 H5' ADE A 24 59.360 51.651 19.237 1.00 0.00 SBOX ATOM 537 H5'' ADE A 24 60.411 51.398 17.863 1.00 0.00 SBOX ATOM 538 C4' ADE A 24 61.268 50.714 19.733 1.00 0.00 SBOX C ATOM 539 H4' ADE A 24 61.844 51.638 19.788 1.00 0.00 SBOX ATOM 540 O4' ADE A 24 60.802 50.433 21.135 1.00 0.00 SBOX O ATOM 541 C1' ADE A 24 61.514 49.276 21.621 1.00 0.00 SBOX C ATOM 542 H1' ADE A 24 61.900 49.530 22.608 1.00 0.00 SBOX ATOM 543 N9 ADE A 24 60.580 48.168 21.729 1.00 0.00 SBOX N ATOM 544 C8 ADE A 24 59.235 48.230 21.492 1.00 0.00 SBOX C ATOM 545 H8 ADE A 24 58.698 49.032 21.007 1.00 0.00 SBOX ATOM 546 N7 ADE A 24 58.518 47.257 21.946 1.00 0.00 SBOX N ATOM 547 C5 ADE A 24 59.508 46.531 22.637 1.00 0.00 SBOX C ATOM 548 C6 ADE A 24 59.542 45.383 23.515 1.00 0.00 SBOX C ATOM 549 N6 ADE A 24 58.595 44.515 23.771 1.00 0.00 SBOX N ATOM 550 H61 ADE A 24 58.665 43.887 24.559 1.00 0.00 SBOX ATOM 551 H62 ADE A 24 57.756 44.692 23.238 1.00 0.00 SBOX ATOM 552 N1 ADE A 24 60.736 44.964 24.073 1.00 0.00 SBOX N ATOM 553 C2 ADE A 24 61.807 45.636 23.790 1.00 0.00 SBOX C ATOM 554 H2 ADE A 24 62.721 45.247 24.213 1.00 0.00 SBOX ATOM 555 N3 ADE A 24 61.909 46.729 23.030 1.00 0.00 SBOX N ATOM 556 C4 ADE A 24 60.689 47.055 22.467 1.00 0.00 SBOX C ATOM 557 C3' ADE A 24 62.225 49.557 19.351 1.00 0.00 SBOX C ATOM 558 H3' ADE A 24 61.590 48.790 18.908 1.00 0.00 SBOX ATOM 559 C2' ADE A 24 62.803 49.100 20.734 1.00 0.00 SBOX C ATOM 560 H2'' ADE A 24 63.066 48.043 20.709 1.00 0.00 SBOX ATOM 561 O2' ADE A 24 63.767 50.058 21.275 1.00 0.00 SBOX O ATOM 562 H2' ADE A 24 64.126 50.551 20.535 1.00 0.00 SBOX ATOM 563 O3' ADE A 24 63.226 50.088 18.576 1.00 0.00 SBOX O ATOM 564 P CYT A 25 63.887 49.130 17.501 1.00 0.00 SBOX P ATOM 565 O1P CYT A 25 62.824 48.699 16.555 1.00 0.00 SBOX ATOM 566 O2P CYT A 25 65.048 49.897 17.010 1.00 0.00 SBOX ATOM 567 O5' CYT A 25 64.501 47.882 18.233 1.00 0.00 SBOX O ATOM 568 C5' CYT A 25 65.878 47.709 18.647 1.00 0.00 SBOX C ATOM 569 H5' CYT A 25 66.105 48.411 19.450 1.00 0.00 SBOX ATOM 570 H5'' CYT A 25 66.584 47.845 17.828 1.00 0.00 SBOX ATOM 571 C4' CYT A 25 65.975 46.341 19.323 1.00 0.00 SBOX C ATOM 572 H4' CYT A 25 66.916 46.271 19.870 1.00 0.00 SBOX ATOM 573 O4' CYT A 25 65.042 46.187 20.407 1.00 0.00 SBOX O ATOM 574 C1' CYT A 25 64.602 44.847 20.460 1.00 0.00 SBOX C ATOM 575 H1' CYT A 25 65.036 44.402 21.355 1.00 0.00 SBOX ATOM 576 N1 CYT A 25 63.188 44.668 20.205 1.00 0.00 SBOX N ATOM 577 C6 CYT A 25 62.444 45.488 19.461 1.00 0.00 SBOX C ATOM 578 H6 CYT A 25 62.958 46.190 18.822 1.00 0.00 SBOX ATOM 579 C5 CYT A 25 61.108 45.439 19.432 1.00 0.00 SBOX C ATOM 580 H5 CYT A 25 60.592 46.064 18.719 1.00 0.00 SBOX ATOM 581 C4 CYT A 25 60.461 44.441 20.190 1.00 0.00 SBOX C ATOM 582 N4 CYT A 25 59.181 44.336 20.106 1.00 0.00 SBOX N ATOM 583 H41 CYT A 25 58.746 43.506 20.482 1.00 0.00 SBOX ATOM 584 H42 CYT A 25 58.752 44.734 19.283 1.00 0.00 SBOX ATOM 585 N3 CYT A 25 61.135 43.579 20.883 1.00 0.00 SBOX N ATOM 586 C2 CYT A 25 62.492 43.663 20.881 1.00 0.00 SBOX C ATOM 587 O2 CYT A 25 63.083 42.710 21.377 1.00 0.00 SBOX O ATOM 588 C3' CYT A 25 65.755 45.129 18.401 1.00 0.00 SBOX C ATOM 589 H3' CYT A 25 64.997 45.414 17.671 1.00 0.00 SBOX ATOM 590 C2' CYT A 25 65.251 44.045 19.351 1.00 0.00 SBOX C ATOM 591 H2'' CYT A 25 64.598 43.336 18.842 1.00 0.00 SBOX ATOM 592 O2' CYT A 25 66.307 43.248 19.921 1.00 0.00 SBOX O ATOM 593 H2' CYT A 25 65.867 42.401 20.032 1.00 0.00 SBOX ATOM 594 O3' CYT A 25 67.003 44.757 17.814 1.00 0.00 SBOX O ATOM 595 P URA A 26 67.056 44.006 16.418 1.00 0.00 SBOX P ATOM 596 O1P URA A 26 66.203 44.750 15.414 1.00 0.00 SBOX ATOM 597 O2P URA A 26 68.480 43.610 16.050 1.00 0.00 SBOX ATOM 598 O5' URA A 26 66.221 42.554 16.612 1.00 0.00 SBOX O ATOM 599 C5' URA A 26 66.797 41.401 17.254 1.00 0.00 SBOX C ATOM 600 H5' URA A 26 66.933 41.635 18.310 1.00 0.00 SBOX ATOM 601 H5'' URA A 26 67.783 41.204 16.833 1.00 0.00 SBOX ATOM 602 C4' URA A 26 66.012 40.073 17.139 1.00 0.00 SBOX C ATOM 603 H4' URA A 26 66.720 39.339 17.523 1.00 0.00 SBOX ATOM 604 O4' URA A 26 64.845 40.102 17.887 1.00 0.00 SBOX O ATOM 605 C1' URA A 26 63.844 39.390 17.239 1.00 0.00 SBOX C ATOM 606 H1' URA A 26 63.621 38.460 17.761 1.00 0.00 SBOX ATOM 607 N1 URA A 26 62.658 40.316 17.071 1.00 0.00 SBOX N ATOM 608 C6 URA A 26 62.760 41.678 17.004 1.00 0.00 SBOX C ATOM 609 H6 URA A 26 63.722 42.134 16.824 1.00 0.00 SBOX ATOM 610 C5 URA A 26 61.676 42.477 17.060 1.00 0.00 SBOX C ATOM 611 H5 URA A 26 61.724 43.552 17.159 1.00 0.00 SBOX ATOM 612 C4 URA A 26 60.301 41.871 17.183 1.00 0.00 SBOX C ATOM 613 O4 URA A 26 59.274 42.433 17.473 1.00 0.00 SBOX O ATOM 614 N3 URA A 26 60.277 40.502 16.945 1.00 0.00 SBOX N ATOM 615 H3 URA A 26 59.374 40.068 16.822 1.00 0.00 SBOX ATOM 616 C2 URA A 26 61.408 39.713 16.894 1.00 0.00 SBOX C ATOM 617 O2 URA A 26 61.250 38.509 16.856 1.00 0.00 SBOX O ATOM 618 C3' URA A 26 65.571 39.831 15.648 1.00 0.00 SBOX C ATOM 619 H3' URA A 26 65.371 40.813 15.218 1.00 0.00 SBOX ATOM 620 C2' URA A 26 64.387 38.879 15.844 1.00 0.00 SBOX C ATOM 621 H2'' URA A 26 63.664 38.989 15.036 1.00 0.00 SBOX ATOM 622 O2' URA A 26 64.667 37.534 16.023 1.00 0.00 SBOX O ATOM 623 H2' URA A 26 63.896 36.978 16.156 1.00 0.00 SBOX ATOM 624 O3' URA A 26 66.551 39.287 14.779 1.00 0.00 SBOX O ATOM 625 P GUA A 27 66.580 39.454 13.176 1.00 0.00 SBOX P ATOM 626 O1P GUA A 27 66.663 40.920 12.846 1.00 0.00 SBOX ATOM 627 O2P GUA A 27 67.686 38.544 12.807 1.00 0.00 SBOX ATOM 628 O5' GUA A 27 65.199 38.870 12.596 1.00 0.00 SBOX O ATOM 629 C5' GUA A 27 65.021 37.494 12.525 1.00 0.00 SBOX C ATOM 630 H5' GUA A 27 65.312 37.085 13.493 1.00 0.00 SBOX ATOM 631 H5'' GUA A 27 65.635 37.026 11.756 1.00 0.00 SBOX ATOM 632 C4' GUA A 27 63.564 37.068 12.344 1.00 0.00 SBOX C ATOM 633 H4' GUA A 27 63.627 35.997 12.153 1.00 0.00 SBOX ATOM 634 O4' GUA A 27 62.946 37.474 13.482 1.00 0.00 SBOX O ATOM 635 C1' GUA A 27 61.618 37.857 13.206 1.00 0.00 SBOX C ATOM 636 H1' GUA A 27 60.916 37.407 13.907 1.00 0.00 SBOX ATOM 637 N9 GUA A 27 61.467 39.378 13.340 1.00 0.00 SBOX N ATOM 638 C8 GUA A 27 62.427 40.362 13.312 1.00 0.00 SBOX C ATOM 639 H8 GUA A 27 63.459 40.158 13.070 1.00 0.00 SBOX ATOM 640 N7 GUA A 27 61.901 41.570 13.485 1.00 0.00 SBOX N ATOM 641 C5 GUA A 27 60.539 41.299 13.652 1.00 0.00 SBOX C ATOM 642 C6 GUA A 27 59.358 42.123 13.885 1.00 0.00 SBOX C ATOM 643 O6 GUA A 27 59.163 43.285 14.329 1.00 0.00 SBOX O ATOM 644 N1 GUA A 27 58.124 41.449 13.806 1.00 0.00 SBOX N ATOM 645 H1 GUA A 27 57.265 41.940 14.008 1.00 0.00 SBOX ATOM 646 C2 GUA A 27 58.021 40.197 13.368 1.00 0.00 SBOX C ATOM 647 N2 GUA A 27 56.848 39.729 13.449 1.00 0.00 SBOX N ATOM 648 H21 GUA A 27 56.132 40.411 13.654 1.00 0.00 SBOX ATOM 649 H22 GUA A 27 56.700 38.753 13.237 1.00 0.00 SBOX ATOM 650 N3 GUA A 27 59.016 39.313 13.313 1.00 0.00 SBOX N ATOM 651 C4 GUA A 27 60.237 39.970 13.454 1.00 0.00 SBOX C ATOM 652 C3' GUA A 27 62.840 37.629 11.208 1.00 0.00 SBOX C ATOM 653 H3' GUA A 27 63.085 38.683 11.078 1.00 0.00 SBOX ATOM 654 C2' GUA A 27 61.446 37.427 11.771 1.00 0.00 SBOX C ATOM 655 H2'' GUA A 27 60.713 37.994 11.196 1.00 0.00 SBOX ATOM 656 O2' GUA A 27 60.938 36.056 11.889 1.00 0.00 SBOX O ATOM 657 H2' GUA A 27 60.088 35.991 12.331 1.00 0.00 SBOX ATOM 658 O3' GUA A 27 63.111 36.983 9.965 1.00 0.00 SBOX O ATOM 659 P GUA A 28 62.613 37.708 8.563 1.00 0.00 SBOX P ATOM 660 O1P GUA A 28 63.146 39.061 8.638 1.00 0.00 SBOX ATOM 661 O2P GUA A 28 63.043 36.846 7.461 1.00 0.00 SBOX ATOM 662 O5' GUA A 28 61.059 37.804 8.713 1.00 0.00 SBOX O ATOM 663 C5' GUA A 28 60.142 38.538 7.816 1.00 0.00 SBOX C ATOM 664 H5' GUA A 28 60.041 38.002 6.873 1.00 0.00 SBOX ATOM 665 H5'' GUA A 28 60.740 39.412 7.558 1.00 0.00 SBOX ATOM 666 C4' GUA A 28 58.893 38.949 8.540 1.00 0.00 SBOX C ATOM 667 H4' GUA A 28 58.338 38.033 8.740 1.00 0.00 SBOX ATOM 668 O4' GUA A 28 59.042 39.629 9.764 1.00 0.00 SBOX O ATOM 669 C1' GUA A 28 57.707 40.245 10.010 1.00 0.00 SBOX C ATOM 670 H1' GUA A 28 57.155 39.774 10.823 1.00 0.00 SBOX ATOM 671 N9 GUA A 28 58.057 41.623 10.436 1.00 0.00 SBOX N ATOM 672 C8 GUA A 28 59.285 42.255 10.300 1.00 0.00 SBOX C ATOM 673 H8 GUA A 28 60.180 41.799 9.902 1.00 0.00 SBOX ATOM 674 N7 GUA A 28 59.325 43.478 10.760 1.00 0.00 SBOX N ATOM 675 C5 GUA A 28 58.049 43.706 11.233 1.00 0.00 SBOX C ATOM 676 C6 GUA A 28 57.407 44.775 11.984 1.00 0.00 SBOX C ATOM 677 O6 GUA A 28 57.849 45.859 12.313 1.00 0.00 SBOX O ATOM 678 N1 GUA A 28 56.026 44.598 12.233 1.00 0.00 SBOX N ATOM 679 H1 GUA A 28 55.551 45.344 12.721 1.00 0.00 SBOX ATOM 680 C2 GUA A 28 55.398 43.449 11.864 1.00 0.00 SBOX C ATOM 681 N2 GUA A 28 54.115 43.560 11.987 1.00 0.00 SBOX N ATOM 682 H21 GUA A 28 53.659 44.452 12.118 1.00 0.00 SBOX ATOM 683 H22 GUA A 28 53.612 42.697 11.834 1.00 0.00 SBOX ATOM 684 N3 GUA A 28 55.929 42.390 11.211 1.00 0.00 SBOX N ATOM 685 C4 GUA A 28 57.316 42.599 11.034 1.00 0.00 SBOX C ATOM 686 C3' GUA A 28 57.994 39.850 7.685 1.00 0.00 SBOX C ATOM 687 H3' GUA A 28 58.595 40.697 7.353 1.00 0.00 SBOX ATOM 688 C2' GUA A 28 56.923 40.197 8.732 1.00 0.00 SBOX C ATOM 689 H2'' GUA A 28 56.425 41.153 8.574 1.00 0.00 SBOX ATOM 690 O2' GUA A 28 55.864 39.242 8.962 1.00 0.00 SBOX O ATOM 691 H2' GUA A 28 55.260 39.674 9.571 1.00 0.00 SBOX ATOM 692 O3' GUA A 28 57.524 39.267 6.459 1.00 0.00 SBOX O ATOM 693 P CYT A 29 57.136 40.111 5.213 1.00 0.00 SBOX P ATOM 694 O1P CYT A 29 58.357 40.823 4.832 1.00 0.00 SBOX ATOM 695 O2P CYT A 29 56.710 39.149 4.252 1.00 0.00 SBOX ATOM 696 O5' CYT A 29 56.033 41.182 5.519 1.00 0.00 SBOX O ATOM 697 C5' CYT A 29 54.711 40.822 5.777 1.00 0.00 SBOX C ATOM 698 H5' CYT A 29 54.717 39.845 6.260 1.00 0.00 SBOX ATOM 699 H5'' CYT A 29 54.219 40.626 4.824 1.00 0.00 SBOX ATOM 700 C4' CYT A 29 54.060 41.961 6.588 1.00 0.00 SBOX C ATOM 701 H4' CYT A 29 53.034 41.641 6.773 1.00 0.00 SBOX ATOM 702 O4' CYT A 29 54.615 42.124 7.912 1.00 0.00 SBOX O ATOM 703 C1' CYT A 29 54.580 43.440 8.359 1.00 0.00 SBOX C ATOM 704 H1' CYT A 29 54.103 43.355 9.335 1.00 0.00 SBOX ATOM 705 N1 CYT A 29 55.889 44.087 8.298 1.00 0.00 SBOX N ATOM 706 C6 CYT A 29 56.950 43.678 7.530 1.00 0.00 SBOX C ATOM 707 H6 CYT A 29 56.891 42.764 6.958 1.00 0.00 SBOX ATOM 708 C5 CYT A 29 58.151 44.323 7.625 1.00 0.00 SBOX C ATOM 709 H5 CYT A 29 58.961 43.868 7.075 1.00 0.00 SBOX ATOM 710 C4 CYT A 29 58.262 45.444 8.476 1.00 0.00 SBOX C ATOM 711 N4 CYT A 29 59.405 46.020 8.603 1.00 0.00 SBOX N ATOM 712 H41 CYT A 29 59.480 46.567 9.449 1.00 0.00 SBOX ATOM 713 H42 CYT A 29 60.075 45.478 8.078 1.00 0.00 SBOX ATOM 714 N3 CYT A 29 57.227 45.931 9.109 1.00 0.00 SBOX N ATOM 715 C2 CYT A 29 56.060 45.307 8.936 1.00 0.00 SBOX C ATOM 716 O2 CYT A 29 55.116 45.851 9.422 1.00 0.00 SBOX O ATOM 717 C3' CYT A 29 53.979 43.410 6.010 1.00 0.00 SBOX C ATOM 718 H3' CYT A 29 54.915 43.761 5.575 1.00 0.00 SBOX ATOM 719 C2' CYT A 29 53.658 44.134 7.325 1.00 0.00 SBOX C ATOM 720 H2'' CYT A 29 53.817 45.185 7.084 1.00 0.00 SBOX ATOM 721 O2' CYT A 29 52.287 43.905 7.726 1.00 0.00 SBOX O ATOM 722 H2' CYT A 29 52.162 44.422 8.525 1.00 0.00 SBOX ATOM 723 O3' CYT A 29 53.014 43.431 5.009 1.00 0.00 SBOX O ATOM 724 P CYT A 30 52.709 44.675 4.077 1.00 0.00 SBOX P ATOM 725 O1P CYT A 30 53.951 45.012 3.362 1.00 0.00 SBOX ATOM 726 O2P CYT A 30 51.508 44.422 3.260 1.00 0.00 SBOX ATOM 727 O5' CYT A 30 52.449 45.801 5.188 1.00 0.00 SBOX O ATOM 728 C5' CYT A 30 52.717 47.182 4.997 1.00 0.00 SBOX C ATOM 729 H5' CYT A 30 52.120 47.516 4.147 1.00 0.00 SBOX ATOM 730 H5'' CYT A 30 53.778 47.335 4.799 1.00 0.00 SBOX ATOM 731 C4' CYT A 30 52.412 47.985 6.253 1.00 0.00 SBOX C ATOM 732 H4' CYT A 30 51.345 48.006 6.477 1.00 0.00 SBOX ATOM 733 O4' CYT A 30 53.178 47.655 7.413 1.00 0.00 SBOX O ATOM 734 C1' CYT A 30 53.837 48.804 7.876 1.00 0.00 SBOX C ATOM 735 H1' CYT A 30 53.689 48.909 8.951 1.00 0.00 SBOX ATOM 736 N1 CYT A 30 55.335 48.768 7.627 1.00 0.00 SBOX N ATOM 737 C6 CYT A 30 55.943 47.894 6.815 1.00 0.00 SBOX C ATOM 738 H6 CYT A 30 55.455 47.028 6.393 1.00 0.00 SBOX ATOM 739 C5 CYT A 30 57.261 48.035 6.600 1.00 0.00 SBOX C ATOM 740 H5 CYT A 30 57.824 47.310 6.033 1.00 0.00 SBOX ATOM 741 C4 CYT A 30 57.926 49.137 7.288 1.00 0.00 SBOX C ATOM 742 N4 CYT A 30 59.130 49.256 7.056 1.00 0.00 SBOX N ATOM 743 H41 CYT A 30 59.578 49.967 7.617 1.00 0.00 SBOX ATOM 744 H42 CYT A 30 59.556 48.573 6.446 1.00 0.00 SBOX ATOM 745 N3 CYT A 30 57.349 50.063 8.035 1.00 0.00 SBOX N ATOM 746 C2 CYT A 30 56.063 49.845 8.258 1.00 0.00 SBOX C ATOM 747 O2 CYT A 30 55.540 50.744 8.930 1.00 0.00 SBOX O ATOM 748 C3' CYT A 30 52.798 49.366 5.802 1.00 0.00 SBOX C ATOM 749 H3' CYT A 30 53.791 49.410 5.354 1.00 0.00 SBOX ATOM 750 C2' CYT A 30 53.073 49.918 7.163 1.00 0.00 SBOX C ATOM 751 H2'' CYT A 30 53.704 50.802 7.068 1.00 0.00 SBOX ATOM 752 O2' CYT A 30 51.936 50.173 8.066 1.00 0.00 SBOX O ATOM 753 H2' CYT A 30 52.218 50.872 8.661 1.00 0.00 SBOX ATOM 754 O3' CYT A 30 51.877 50.007 4.838 1.00 0.00 SBOX O ATOM 755 P CYT A 31 52.364 51.113 3.792 1.00 0.00 SBOX P ATOM 756 O1P CYT A 31 53.535 50.544 3.135 1.00 0.00 SBOX ATOM 757 O2P CYT A 31 51.208 51.620 2.958 1.00 0.00 SBOX ATOM 758 O5' CYT A 31 52.897 52.331 4.732 1.00 0.00 SBOX O ATOM 759 C5' CYT A 31 51.941 53.047 5.536 1.00 0.00 SBOX C ATOM 760 H5' CYT A 31 51.445 52.319 6.178 1.00 0.00 SBOX ATOM 761 H5'' CYT A 31 51.114 53.490 4.981 1.00 0.00 SBOX ATOM 762 C4' CYT A 31 52.514 54.035 6.562 1.00 0.00 SBOX C ATOM 763 H4' CYT A 31 51.709 54.474 7.151 1.00 0.00 SBOX ATOM 764 O4' CYT A 31 53.533 53.494 7.432 1.00 0.00 SBOX O ATOM 765 C1' CYT A 31 54.650 54.433 7.595 1.00 0.00 SBOX C ATOM 766 H1' CYT A 31 54.884 54.499 8.657 1.00 0.00 SBOX ATOM 767 N1 CYT A 31 55.839 53.877 6.990 1.00 0.00 SBOX N ATOM 768 C6 CYT A 31 55.871 52.723 6.254 1.00 0.00 SBOX C ATOM 769 H6 CYT A 31 54.980 52.166 6.003 1.00 0.00 SBOX ATOM 770 C5 CYT A 31 57.154 52.293 5.937 1.00 0.00 SBOX C ATOM 771 H5 CYT A 31 57.278 51.424 5.308 1.00 0.00 SBOX ATOM 772 C4 CYT A 31 58.238 53.081 6.296 1.00 0.00 SBOX C ATOM 773 N4 CYT A 31 59.417 52.798 5.925 1.00 0.00 SBOX N ATOM 774 H41 CYT A 31 60.135 53.489 6.086 1.00 0.00 SBOX ATOM 775 H42 CYT A 31 59.726 51.870 5.672 1.00 0.00 SBOX ATOM 776 N3 CYT A 31 58.232 54.212 6.899 1.00 0.00 SBOX N ATOM 777 C2 CYT A 31 57.008 54.557 7.254 1.00 0.00 SBOX C ATOM 778 O2 CYT A 31 56.975 55.575 7.914 1.00 0.00 SBOX O ATOM 779 C3' CYT A 31 53.233 55.174 5.904 1.00 0.00 SBOX C ATOM 780 H3' CYT A 31 53.955 54.789 5.184 1.00 0.00 SBOX ATOM 781 C2' CYT A 31 54.144 55.762 7.025 1.00 0.00 SBOX C ATOM 782 H2'' CYT A 31 54.934 56.380 6.597 1.00 0.00 SBOX ATOM 783 O2' CYT A 31 53.461 56.447 8.101 1.00 0.00 SBOX O ATOM 784 H2' CYT A 31 54.064 56.774 8.771 1.00 0.00 SBOX ATOM 785 O3' CYT A 31 52.319 56.069 5.261 1.00 0.00 SBOX O ATOM 786 P GUA A 32 52.811 56.774 3.987 1.00 0.00 SBOX P ATOM 787 O1P GUA A 32 53.172 55.707 3.041 1.00 0.00 SBOX ATOM 788 O2P GUA A 32 51.658 57.646 3.606 1.00 0.00 SBOX ATOM 789 O5' GUA A 32 54.119 57.575 4.170 1.00 0.00 SBOX O ATOM 790 C5' GUA A 32 54.051 58.867 4.831 1.00 0.00 SBOX C ATOM 791 H5' GUA A 32 53.735 58.752 5.868 1.00 0.00 SBOX ATOM 792 H5'' GUA A 32 53.391 59.484 4.221 1.00 0.00 SBOX ATOM 793 C4' GUA A 32 55.476 59.504 4.893 1.00 0.00 SBOX C ATOM 794 H4' GUA A 32 55.428 60.561 5.155 1.00 0.00 SBOX ATOM 795 O4' GUA A 32 56.474 58.816 5.724 1.00 0.00 SBOX O ATOM 796 C1' GUA A 32 57.678 59.025 5.110 1.00 0.00 SBOX C ATOM 797 H1' GUA A 32 58.431 59.463 5.766 1.00 0.00 SBOX ATOM 798 N9 GUA A 32 58.205 57.720 4.620 1.00 0.00 SBOX N ATOM 799 C8 GUA A 32 57.455 56.603 4.283 1.00 0.00 SBOX C ATOM 800 H8 GUA A 32 56.377 56.643 4.340 1.00 0.00 SBOX ATOM 801 N7 GUA A 32 58.139 55.573 3.813 1.00 0.00 SBOX N ATOM 802 C5 GUA A 32 59.462 56.101 3.975 1.00 0.00 SBOX C ATOM 803 C6 GUA A 32 60.749 55.539 3.475 1.00 0.00 SBOX C ATOM 804 O6 GUA A 32 60.956 54.473 2.935 1.00 0.00 SBOX O ATOM 805 N1 GUA A 32 61.797 56.356 3.661 1.00 0.00 SBOX N ATOM 806 H1 GUA A 32 62.721 55.951 3.720 1.00 0.00 SBOX ATOM 807 C2 GUA A 32 61.754 57.579 4.239 1.00 0.00 SBOX C ATOM 808 N2 GUA A 32 62.838 58.129 4.633 1.00 0.00 SBOX N ATOM 809 H21 GUA A 32 63.669 57.555 4.627 1.00 0.00 SBOX ATOM 810 H22 GUA A 32 62.661 58.970 5.163 1.00 0.00 SBOX ATOM 811 N3 GUA A 32 60.597 58.168 4.562 1.00 0.00 SBOX N ATOM 812 C4 GUA A 32 59.497 57.378 4.378 1.00 0.00 SBOX C ATOM 813 C3' GUA A 32 56.104 59.539 3.523 1.00 0.00 SBOX C ATOM 814 H3' GUA A 32 56.053 58.515 3.150 1.00 0.00 SBOX ATOM 815 C2' GUA A 32 57.506 59.934 3.901 1.00 0.00 SBOX C ATOM 816 H2'' GUA A 32 58.222 59.746 3.101 1.00 0.00 SBOX ATOM 817 O2' GUA A 32 57.636 61.295 4.342 1.00 0.00 SBOX O ATOM 818 H2' GUA A 32 58.376 61.404 4.944 1.00 0.00 SBOX ATOM 819 O3' GUA A 32 55.470 60.398 2.608 1.00 0.00 SBOX O ATOM 820 P ADE A 33 55.725 60.261 1.058 1.00 0.00 SBOX P ATOM 821 O1P ADE A 33 56.932 59.452 0.891 1.00 0.00 SBOX ATOM 822 O2P ADE A 33 54.453 59.867 0.423 1.00 0.00 SBOX ATOM 823 O5' ADE A 33 55.975 61.797 0.641 1.00 0.00 SBOX O ATOM 824 C5' ADE A 33 56.997 62.511 1.347 1.00 0.00 SBOX C ATOM 825 H5' ADE A 33 57.909 61.941 1.521 1.00 0.00 SBOX ATOM 826 H5'' ADE A 33 56.679 62.843 2.335 1.00 0.00 SBOX ATOM 827 C4' ADE A 33 57.380 63.753 0.582 1.00 0.00 SBOX C ATOM 828 H4' ADE A 33 56.576 64.450 0.820 1.00 0.00 SBOX ATOM 829 O4' ADE A 33 58.677 64.321 1.121 1.00 0.00 SBOX O ATOM 830 C1' ADE A 33 59.509 64.800 0.054 1.00 0.00 SBOX C ATOM 831 H1' ADE A 33 59.434 65.882 -0.061 1.00 0.00 SBOX ATOM 832 N9 ADE A 33 60.884 64.515 0.435 1.00 0.00 SBOX N ATOM 833 C8 ADE A 33 61.940 65.307 0.192 1.00 0.00 SBOX C ATOM 834 H8 ADE A 33 61.897 66.249 -0.335 1.00 0.00 SBOX ATOM 835 N7 ADE A 33 63.070 64.775 0.653 1.00 0.00 SBOX N ATOM 836 C5 ADE A 33 62.696 63.470 1.057 1.00 0.00 SBOX C ATOM 837 C6 ADE A 33 63.209 62.368 1.706 1.00 0.00 SBOX C ATOM 838 N6 ADE A 33 64.439 62.324 2.189 1.00 0.00 SBOX N ATOM 839 H61 ADE A 33 64.799 61.528 2.696 1.00 0.00 SBOX ATOM 840 H62 ADE A 33 65.059 63.120 2.181 1.00 0.00 SBOX ATOM 841 N1 ADE A 33 62.628 61.237 2.057 1.00 0.00 SBOX N ATOM 842 C2 ADE A 33 61.361 61.214 1.672 1.00 0.00 SBOX C ATOM 843 H2 ADE A 33 60.824 60.296 1.860 1.00 0.00 SBOX ATOM 844 N3 ADE A 33 60.621 62.165 1.106 1.00 0.00 SBOX N ATOM 845 C4 ADE A 33 61.371 63.302 0.862 1.00 0.00 SBOX C ATOM 846 C3' ADE A 33 57.661 63.523 -0.865 1.00 0.00 SBOX C ATOM 847 H3' ADE A 33 57.777 62.454 -1.046 1.00 0.00 SBOX ATOM 848 C2' ADE A 33 59.067 63.959 -1.161 1.00 0.00 SBOX C ATOM 849 H2'' ADE A 33 59.675 63.064 -1.285 1.00 0.00 SBOX ATOM 850 O2' ADE A 33 59.374 64.805 -2.263 1.00 0.00 SBOX O ATOM 851 H2' ADE A 33 58.660 65.446 -2.304 1.00 0.00 SBOX ATOM 852 O3' ADE A 33 56.618 63.968 -1.803 1.00 0.00 SBOX O ATOM 853 P URA A 34 56.083 65.441 -2.032 1.00 0.00 SBOX P ATOM 854 O1P URA A 34 57.267 66.340 -2.171 1.00 0.00 SBOX ATOM 855 O2P URA A 34 55.130 65.278 -3.167 1.00 0.00 SBOX ATOM 856 O5' URA A 34 55.251 65.662 -0.660 1.00 0.00 SBOX O ATOM 857 C5' URA A 34 54.220 64.873 -0.159 1.00 0.00 SBOX C ATOM 858 H5' URA A 34 54.258 64.888 0.930 1.00 0.00 SBOX ATOM 859 H5'' URA A 34 54.307 63.831 -0.467 1.00 0.00 SBOX ATOM 860 C4' URA A 34 52.903 65.534 -0.465 1.00 0.00 SBOX C ATOM 861 H4' URA A 34 52.872 66.575 -0.142 1.00 0.00 SBOX ATOM 862 O4' URA A 34 52.600 65.440 -1.910 1.00 0.00 SBOX O ATOM 863 C1' URA A 34 51.263 64.928 -2.022 1.00 0.00 SBOX C ATOM 864 H1' URA A 34 50.775 65.689 -2.631 1.00 0.00 SBOX ATOM 865 N1 URA A 34 51.287 63.619 -2.767 1.00 0.00 SBOX N ATOM 866 C6 URA A 34 52.436 62.958 -3.145 1.00 0.00 SBOX C ATOM 867 H6 URA A 34 53.426 63.222 -2.804 1.00 0.00 SBOX ATOM 868 C5 URA A 34 52.390 61.827 -3.861 1.00 0.00 SBOX C ATOM 869 H5 URA A 34 53.290 61.310 -4.162 1.00 0.00 SBOX ATOM 870 C4 URA A 34 51.072 61.215 -4.209 1.00 0.00 SBOX C ATOM 871 O4 URA A 34 50.982 60.128 -4.736 1.00 0.00 SBOX O ATOM 872 N3 URA A 34 49.984 61.942 -3.889 1.00 0.00 SBOX N ATOM 873 H3 URA A 34 49.074 61.523 -4.021 1.00 0.00 SBOX ATOM 874 C2 URA A 34 50.040 63.148 -3.272 1.00 0.00 SBOX C ATOM 875 O2 URA A 34 48.970 63.612 -2.984 1.00 0.00 SBOX O ATOM 876 C3' URA A 34 51.834 64.928 0.414 1.00 0.00 SBOX C ATOM 877 H3' URA A 34 52.029 63.878 0.635 1.00 0.00 SBOX ATOM 878 C2' URA A 34 50.645 64.947 -0.567 1.00 0.00 SBOX C ATOM 879 H2'' URA A 34 49.959 64.108 -0.452 1.00 0.00 SBOX ATOM 880 O2' URA A 34 49.925 66.151 -0.416 1.00 0.00 SBOX O ATOM 881 H2' URA A 34 50.078 66.254 0.526 1.00 0.00 SBOX ATOM 882 O3' URA A 34 51.481 65.527 1.580 1.00 0.00 SBOX O ATOM 883 P GUA A 35 52.147 65.201 2.903 1.00 0.00 SBOX P ATOM 884 O1P GUA A 35 51.042 65.353 3.902 1.00 0.00 SBOX ATOM 885 O2P GUA A 35 52.710 63.885 2.779 1.00 0.00 SBOX ATOM 886 O5' GUA A 35 53.216 66.328 3.135 1.00 0.00 SBOX O ATOM 887 C5' GUA A 35 54.002 66.408 4.282 1.00 0.00 SBOX C ATOM 888 H5' GUA A 35 53.383 66.493 5.176 1.00 0.00 SBOX ATOM 889 H5'' GUA A 35 54.401 67.422 4.286 1.00 0.00 SBOX ATOM 890 C4' GUA A 35 55.032 65.292 4.536 1.00 0.00 SBOX C ATOM 891 H4' GUA A 35 54.575 64.316 4.700 1.00 0.00 SBOX ATOM 892 O4' GUA A 35 55.851 64.952 3.398 1.00 0.00 SBOX O ATOM 893 C1' GUA A 35 57.161 65.144 3.713 1.00 0.00 SBOX C ATOM 894 H1' GUA A 35 57.773 64.325 3.335 1.00 0.00 SBOX ATOM 895 N9 GUA A 35 57.555 66.436 3.146 1.00 0.00 SBOX N ATOM 896 C8 GUA A 35 56.732 67.318 2.445 1.00 0.00 SBOX C ATOM 897 H8 GUA A 35 55.656 67.236 2.410 1.00 0.00 SBOX ATOM 898 N7 GUA A 35 57.408 68.315 1.931 1.00 0.00 SBOX N ATOM 899 C5 GUA A 35 58.721 68.141 2.291 1.00 0.00 SBOX C ATOM 900 C6 GUA A 35 59.856 68.923 2.071 1.00 0.00 SBOX C ATOM 901 O6 GUA A 35 59.949 70.038 1.579 1.00 0.00 SBOX O ATOM 902 N1 GUA A 35 61.077 68.373 2.536 1.00 0.00 SBOX N ATOM 903 H1 GUA A 35 61.940 68.898 2.566 1.00 0.00 SBOX ATOM 904 C2 GUA A 35 61.118 67.200 3.251 1.00 0.00 SBOX C ATOM 905 N2 GUA A 35 62.352 66.743 3.417 1.00 0.00 SBOX N ATOM 906 H21 GUA A 35 63.171 67.110 2.955 1.00 0.00 SBOX ATOM 907 H22 GUA A 35 62.369 65.786 3.740 1.00 0.00 SBOX ATOM 908 N3 GUA A 35 60.078 66.404 3.410 1.00 0.00 SBOX N ATOM 909 C4 GUA A 35 58.840 66.979 3.048 1.00 0.00 SBOX C ATOM 910 C3' GUA A 35 55.917 65.529 5.678 1.00 0.00 SBOX C ATOM 911 H3' GUA A 35 55.941 66.603 5.866 1.00 0.00 SBOX ATOM 912 C2' GUA A 35 57.316 65.065 5.258 1.00 0.00 SBOX C ATOM 913 H2'' GUA A 35 58.168 65.637 5.624 1.00 0.00 SBOX ATOM 914 O2' GUA A 35 57.667 63.712 5.620 1.00 0.00 SBOX O ATOM 915 H2' GUA A 35 57.410 63.540 6.529 1.00 0.00 SBOX ATOM 916 O3' GUA A 35 55.352 65.005 6.850 1.00 0.00 SBOX O ATOM 917 P ADE A 36 56.056 65.124 8.278 1.00 0.00 SBOX P ATOM 918 O1P ADE A 36 57.161 66.106 8.156 1.00 0.00 SBOX ATOM 919 O2P ADE A 36 55.060 65.408 9.339 1.00 0.00 SBOX ATOM 920 O5' ADE A 36 56.774 63.715 8.413 1.00 0.00 SBOX O ATOM 921 C5' ADE A 36 56.085 62.474 8.466 1.00 0.00 SBOX C ATOM 922 H5' ADE A 36 55.817 62.178 7.452 1.00 0.00 SBOX ATOM 923 H5'' ADE A 36 55.188 62.613 9.070 1.00 0.00 SBOX ATOM 924 C4' ADE A 36 57.014 61.384 9.024 1.00 0.00 SBOX C ATOM 925 H4' ADE A 36 56.503 60.423 8.968 1.00 0.00 SBOX ATOM 926 O4' ADE A 36 58.197 61.194 8.256 1.00 0.00 SBOX O ATOM 927 C1' ADE A 36 59.371 61.150 9.089 1.00 0.00 SBOX C ATOM 928 H1' ADE A 36 60.011 60.340 8.739 1.00 0.00 SBOX ATOM 929 N9 ADE A 36 60.108 62.402 8.905 1.00 0.00 SBOX N ATOM 930 C8 ADE A 36 59.725 63.454 8.099 1.00 0.00 SBOX C ATOM 931 H8 ADE A 36 58.885 63.344 7.430 1.00 0.00 SBOX ATOM 932 N7 ADE A 36 60.699 64.345 7.880 1.00 0.00 SBOX N ATOM 933 C5 ADE A 36 61.669 63.945 8.782 1.00 0.00 SBOX C ATOM 934 C6 ADE A 36 63.000 64.397 8.981 1.00 0.00 SBOX C ATOM 935 N6 ADE A 36 63.479 65.542 8.553 1.00 0.00 SBOX N ATOM 936 H61 ADE A 36 64.411 65.823 8.821 1.00 0.00 SBOX ATOM 937 H62 ADE A 36 62.837 66.112 8.020 1.00 0.00 SBOX ATOM 938 N1 ADE A 36 63.800 63.772 9.798 1.00 0.00 SBOX N ATOM 939 C2 ADE A 36 63.396 62.658 10.405 1.00 0.00 SBOX C ATOM 940 H2 ADE A 36 64.142 62.160 11.007 1.00 0.00 SBOX ATOM 941 N3 ADE A 36 62.184 62.084 10.217 1.00 0.00 SBOX N ATOM 942 C4 ADE A 36 61.360 62.753 9.363 1.00 0.00 SBOX C ATOM 943 C3' ADE A 36 57.435 61.706 10.518 1.00 0.00 SBOX C ATOM 944 H3' ADE A 36 57.725 62.727 10.766 1.00 0.00 SBOX ATOM 945 C2' ADE A 36 58.799 61.002 10.524 1.00 0.00 SBOX C ATOM 946 H2'' ADE A 36 59.465 61.284 11.340 1.00 0.00 SBOX ATOM 947 O2' ADE A 36 58.456 59.610 10.658 1.00 0.00 SBOX O ATOM 948 H2' ADE A 36 57.837 59.544 11.390 1.00 0.00 SBOX ATOM 949 O3' ADE A 36 56.639 61.165 11.616 1.00 0.00 SBOX O ATOM 950 P ADE A 37 56.760 61.804 13.084 1.00 0.00 SBOX P ATOM 951 O1P ADE A 37 56.361 63.217 12.891 1.00 0.00 SBOX ATOM 952 O2P ADE A 37 55.919 60.911 13.890 1.00 0.00 SBOX ATOM 953 O5' ADE A 37 58.213 61.712 13.495 1.00 0.00 SBOX O ATOM 954 C5' ADE A 37 58.724 60.635 14.297 1.00 0.00 SBOX C ATOM 955 H5' ADE A 37 58.592 59.671 13.804 1.00 0.00 SBOX ATOM 956 H5'' ADE A 37 58.190 60.645 15.247 1.00 0.00 SBOX ATOM 957 C4' ADE A 37 60.268 60.873 14.554 1.00 0.00 SBOX C ATOM 958 H4' ADE A 37 60.718 59.946 14.908 1.00 0.00 SBOX ATOM 959 O4' ADE A 37 60.902 61.319 13.359 1.00 0.00 SBOX O ATOM 960 C1' ADE A 37 61.899 62.230 13.672 1.00 0.00 SBOX C ATOM 961 H1' ADE A 37 62.854 61.834 13.327 1.00 0.00 SBOX ATOM 962 N9 ADE A 37 61.641 63.574 13.045 1.00 0.00 SBOX N ATOM 963 C8 ADE A 37 60.710 64.059 12.217 1.00 0.00 SBOX C ATOM 964 H8 ADE A 37 59.905 63.432 11.863 1.00 0.00 SBOX ATOM 965 N7 ADE A 37 60.831 65.259 11.679 1.00 0.00 SBOX N ATOM 966 C5 ADE A 37 62.097 65.628 12.257 1.00 0.00 SBOX C ATOM 967 C6 ADE A 37 62.989 66.716 12.181 1.00 0.00 SBOX C ATOM 968 N6 ADE A 37 62.712 67.905 11.630 1.00 0.00 SBOX N ATOM 969 H61 ADE A 37 63.409 68.634 11.696 1.00 0.00 SBOX ATOM 970 H62 ADE A 37 61.846 68.117 11.156 1.00 0.00 SBOX ATOM 971 N1 ADE A 37 64.222 66.713 12.701 1.00 0.00 SBOX N ATOM 972 C2 ADE A 37 64.629 65.596 13.258 1.00 0.00 SBOX C ATOM 973 H2 ADE A 37 65.624 65.596 13.679 1.00 0.00 SBOX ATOM 974 N3 ADE A 37 63.925 64.493 13.543 1.00 0.00 SBOX N ATOM 975 C4 ADE A 37 62.604 64.579 13.023 1.00 0.00 SBOX C ATOM 976 C3' ADE A 37 60.654 61.795 15.708 1.00 0.00 SBOX C ATOM 977 H3' ADE A 37 60.071 62.704 15.857 1.00 0.00 SBOX ATOM 978 C2' ADE A 37 62.035 62.249 15.167 1.00 0.00 SBOX C ATOM 979 H2'' ADE A 37 62.184 63.281 15.484 1.00 0.00 SBOX ATOM 980 O2' ADE A 37 63.115 61.445 15.512 1.00 0.00 SBOX O ATOM 981 H2' ADE A 37 62.850 60.536 15.670 1.00 0.00 SBOX ATOM 982 O3' ADE A 37 60.632 61.239 17.038 1.00 0.00 SBOX O ATOM 983 P ADE A 38 61.074 61.944 18.304 1.00 0.00 SBOX P ATOM 984 O1P ADE A 38 59.881 62.272 19.092 1.00 0.00 SBOX ATOM 985 O2P ADE A 38 62.083 61.040 18.854 1.00 0.00 SBOX ATOM 986 O5' ADE A 38 61.717 63.312 18.059 1.00 0.00 SBOX O ATOM 987 C5' ADE A 38 63.021 63.625 18.602 1.00 0.00 SBOX C ATOM 988 H5' ADE A 38 63.801 63.126 18.027 1.00 0.00 SBOX ATOM 989 H5'' ADE A 38 63.073 63.436 19.674 1.00 0.00 SBOX ATOM 990 C4' ADE A 38 63.258 65.104 18.450 1.00 0.00 SBOX C ATOM 991 H4' ADE A 38 64.255 65.314 18.835 1.00 0.00 SBOX ATOM 992 O4' ADE A 38 63.189 65.485 17.112 1.00 0.00 SBOX O ATOM 993 C1' ADE A 38 62.636 66.724 16.969 1.00 0.00 SBOX C ATOM 994 H1' ADE A 38 63.370 67.340 16.450 1.00 0.00 SBOX ATOM 995 N9 ADE A 38 61.485 66.652 16.062 1.00 0.00 SBOX N ATOM 996 C8 ADE A 38 60.584 65.630 15.954 1.00 0.00 SBOX C ATOM 997 H8 ADE A 38 60.559 64.718 16.533 1.00 0.00 SBOX ATOM 998 N7 ADE A 38 59.673 65.913 15.027 1.00 0.00 SBOX N ATOM 999 C5 ADE A 38 60.070 67.185 14.569 1.00 0.00 SBOX C ATOM 1000 C6 ADE A 38 59.546 68.134 13.710 1.00 0.00 SBOX C ATOM 1001 N6 ADE A 38 58.481 67.990 12.950 1.00 0.00 SBOX N ATOM 1002 H61 ADE A 38 58.291 68.787 12.360 1.00 0.00 SBOX ATOM 1003 H62 ADE A 38 57.930 67.145 13.002 1.00 0.00 SBOX ATOM 1004 N1 ADE A 38 60.123 69.337 13.481 1.00 0.00 SBOX N ATOM 1005 C2 ADE A 38 61.265 69.529 14.121 1.00 0.00 SBOX C ATOM 1006 H2 ADE A 38 61.686 70.520 14.036 1.00 0.00 SBOX ATOM 1007 N3 ADE A 38 61.872 68.794 14.968 1.00 0.00 SBOX N ATOM 1008 C4 ADE A 38 61.172 67.655 15.154 1.00 0.00 SBOX C ATOM 1009 C3' ADE A 38 62.221 65.945 19.244 1.00 0.00 SBOX C ATOM 1010 H3' ADE A 38 61.215 65.528 19.193 1.00 0.00 SBOX ATOM 1011 C2' ADE A 38 62.282 67.195 18.367 1.00 0.00 SBOX C ATOM 1012 H2'' ADE A 38 61.401 67.834 18.316 1.00 0.00 SBOX ATOM 1013 O2' ADE A 38 63.371 68.005 18.809 1.00 0.00 SBOX O ATOM 1014 H2' ADE A 38 63.078 68.096 19.719 1.00 0.00 SBOX ATOM 1015 O3' ADE A 38 62.385 66.111 20.619 1.00 0.00 SBOX O ATOM 1016 P CYT A 39 61.330 66.718 21.455 1.00 0.00 SBOX P ATOM 1017 O1P CYT A 39 60.082 65.940 21.350 1.00 0.00 SBOX ATOM 1018 O2P CYT A 39 61.941 66.915 22.797 1.00 0.00 SBOX ATOM 1019 O5' CYT A 39 60.882 68.192 21.065 1.00 0.00 SBOX O ATOM 1020 C5' CYT A 39 61.644 69.350 21.615 1.00 0.00 SBOX C ATOM 1021 H5' CYT A 39 62.666 69.021 21.429 1.00 0.00 SBOX ATOM 1022 H5'' CYT A 39 61.506 69.559 22.676 1.00 0.00 SBOX ATOM 1023 C4' CYT A 39 61.539 70.644 20.688 1.00 0.00 SBOX C ATOM 1024 H4' CYT A 39 62.379 71.323 20.834 1.00 0.00 SBOX ATOM 1025 O4' CYT A 39 61.493 70.319 19.324 1.00 0.00 SBOX O ATOM 1026 C1' CYT A 39 60.607 71.205 18.678 1.00 0.00 SBOX C ATOM 1027 H1' CYT A 39 61.252 71.852 18.083 1.00 0.00 SBOX ATOM 1028 N1 CYT A 39 59.720 70.471 17.790 1.00 0.00 SBOX N ATOM 1029 C6 CYT A 39 59.253 69.263 18.236 1.00 0.00 SBOX C ATOM 1030 H6 CYT A 39 59.473 68.737 19.154 1.00 0.00 SBOX ATOM 1031 C5 CYT A 39 58.333 68.621 17.435 1.00 0.00 SBOX C ATOM 1032 H5 CYT A 39 57.887 67.678 17.716 1.00 0.00 SBOX ATOM 1033 C4 CYT A 39 57.853 69.292 16.315 1.00 0.00 SBOX C ATOM 1034 N4 CYT A 39 56.866 68.802 15.609 1.00 0.00 SBOX N ATOM 1035 H41 CYT A 39 56.561 69.275 14.771 1.00 0.00 SBOX ATOM 1036 H42 CYT A 39 56.541 67.849 15.694 1.00 0.00 SBOX ATOM 1037 N3 CYT A 39 58.141 70.516 15.968 1.00 0.00 SBOX N ATOM 1038 C2 CYT A 39 59.066 71.095 16.757 1.00 0.00 SBOX C ATOM 1039 O2 CYT A 39 59.368 72.282 16.585 1.00 0.00 SBOX O ATOM 1040 C3' CYT A 39 60.245 71.297 21.021 1.00 0.00 SBOX C ATOM 1041 H3' CYT A 39 59.424 70.584 21.107 1.00 0.00 SBOX ATOM 1042 C2' CYT A 39 59.950 72.086 19.783 1.00 0.00 SBOX C ATOM 1043 H2'' CYT A 39 58.880 72.154 19.586 1.00 0.00 SBOX ATOM 1044 O2' CYT A 39 60.577 73.302 19.840 1.00 0.00 SBOX O ATOM 1045 H2' CYT A 39 60.053 73.878 20.402 1.00 0.00 SBOX ATOM 1046 O3' CYT A 39 60.425 72.165 22.208 1.00 0.00 SBOX O ATOM 1047 P CYT A 40 59.257 72.468 23.293 1.00 0.00 SBOX P ATOM 1048 O1P CYT A 40 58.508 71.187 23.317 1.00 0.00 SBOX ATOM 1049 O2P CYT A 40 59.934 73.035 24.498 1.00 0.00 SBOX ATOM 1050 O5' CYT A 40 58.452 73.576 22.484 1.00 0.00 SBOX O ATOM 1051 C5' CYT A 40 58.838 74.957 22.532 1.00 0.00 SBOX C ATOM 1052 H5' CYT A 40 59.905 74.990 22.309 1.00 0.00 SBOX ATOM 1053 H5'' CYT A 40 58.530 75.490 23.431 1.00 0.00 SBOX ATOM 1054 C4' CYT A 40 58.016 75.764 21.370 1.00 0.00 SBOX C ATOM 1055 H4' CYT A 40 58.393 76.784 21.447 1.00 0.00 SBOX ATOM 1056 O4' CYT A 40 58.196 75.209 20.140 1.00 0.00 SBOX O ATOM 1057 C1' CYT A 40 56.980 75.489 19.491 1.00 0.00 SBOX C ATOM 1058 H1' CYT A 40 57.134 76.147 18.636 1.00 0.00 SBOX ATOM 1059 N1 CYT A 40 56.332 74.231 18.982 1.00 0.00 SBOX N ATOM 1060 C6 CYT A 40 56.529 73.023 19.595 1.00 0.00 SBOX C ATOM 1061 H6 CYT A 40 57.190 72.932 20.444 1.00 0.00 SBOX ATOM 1062 C5 CYT A 40 56.100 71.870 19.061 1.00 0.00 SBOX C ATOM 1063 H5 CYT A 40 56.173 70.931 19.590 1.00 0.00 SBOX ATOM 1064 C4 CYT A 40 55.253 71.956 17.918 1.00 0.00 SBOX C ATOM 1065 N4 CYT A 40 54.540 70.956 17.533 1.00 0.00 SBOX N ATOM 1066 H41 CYT A 40 53.867 71.096 16.792 1.00 0.00 SBOX ATOM 1067 H42 CYT A 40 54.698 70.008 17.845 1.00 0.00 SBOX ATOM 1068 N3 CYT A 40 55.024 73.102 17.328 1.00 0.00 SBOX N ATOM 1069 C2 CYT A 40 55.553 74.251 17.881 1.00 0.00 SBOX C ATOM 1070 O2 CYT A 40 55.192 75.298 17.366 1.00 0.00 SBOX O ATOM 1071 C3' CYT A 40 56.538 75.909 21.745 1.00 0.00 SBOX C ATOM 1072 H3' CYT A 40 56.291 74.952 22.204 1.00 0.00 SBOX ATOM 1073 C2' CYT A 40 55.931 76.110 20.381 1.00 0.00 SBOX C ATOM 1074 H2'' CYT A 40 54.969 75.597 20.375 1.00 0.00 SBOX ATOM 1075 O2' CYT A 40 55.711 77.448 19.966 1.00 0.00 SBOX O ATOM 1076 H2' CYT A 40 55.054 77.466 19.266 1.00 0.00 SBOX ATOM 1077 O3' CYT A 40 56.270 76.927 22.667 1.00 0.00 SBOX O ATOM 1078 P CYT A 41 54.906 76.711 23.635 1.00 0.00 SBOX P ATOM 1079 O1P CYT A 41 55.040 75.496 24.423 1.00 0.00 SBOX ATOM 1080 O2P CYT A 41 54.775 77.975 24.392 1.00 0.00 SBOX ATOM 1081 O5' CYT A 41 53.605 76.480 22.730 1.00 0.00 SBOX O ATOM 1082 C5' CYT A 41 52.820 77.576 22.240 1.00 0.00 SBOX C ATOM 1083 H5' CYT A 41 53.497 78.417 22.093 1.00 0.00 SBOX ATOM 1084 H5'' CYT A 41 52.188 77.878 23.076 1.00 0.00 SBOX ATOM 1085 C4' CYT A 41 51.966 77.280 21.065 1.00 0.00 SBOX C ATOM 1086 H4' CYT A 41 51.699 78.237 20.617 1.00 0.00 SBOX ATOM 1087 O4' CYT A 41 52.678 76.547 20.109 1.00 0.00 SBOX O ATOM 1088 C1' CYT A 41 51.889 75.712 19.319 1.00 0.00 SBOX C ATOM 1089 H1' CYT A 41 51.883 76.056 18.284 1.00 0.00 SBOX ATOM 1090 N1 CYT A 41 52.207 74.236 19.490 1.00 0.00 SBOX N ATOM 1091 C6 CYT A 41 52.732 73.841 20.695 1.00 0.00 SBOX C ATOM 1092 H6 CYT A 41 53.200 74.602 21.302 1.00 0.00 SBOX ATOM 1093 C5 CYT A 41 52.851 72.517 20.904 1.00 0.00 SBOX C ATOM 1094 H5 CYT A 41 53.528 72.214 21.690 1.00 0.00 SBOX ATOM 1095 C4 CYT A 41 52.247 71.694 19.908 1.00 0.00 SBOX C ATOM 1096 N4 CYT A 41 52.368 70.452 19.924 1.00 0.00 SBOX N ATOM 1097 H41 CYT A 41 52.124 69.987 19.061 1.00 0.00 SBOX ATOM 1098 H42 CYT A 41 52.968 70.036 20.621 1.00 0.00 SBOX ATOM 1099 N3 CYT A 41 51.622 72.038 18.819 1.00 0.00 SBOX N ATOM 1100 C2 CYT A 41 51.548 73.317 18.677 1.00 0.00 SBOX C ATOM 1101 O2 CYT A 41 50.828 73.746 17.808 1.00 0.00 SBOX O ATOM 1102 C3' CYT A 41 50.659 76.483 21.289 1.00 0.00 SBOX C ATOM 1103 H3' CYT A 41 50.820 75.730 22.061 1.00 0.00 SBOX ATOM 1104 C2' CYT A 41 50.426 75.969 19.862 1.00 0.00 SBOX C ATOM 1105 H2'' CYT A 41 49.744 75.121 19.804 1.00 0.00 SBOX ATOM 1106 O2' CYT A 41 49.926 77.032 19.052 1.00 0.00 SBOX O ATOM 1107 H2' CYT A 41 50.586 77.724 19.131 1.00 0.00 SBOX ATOM 1108 O3' CYT A 41 49.617 77.331 21.765 1.00 0.00 SBOX O ATOM 1109 P GUA A 42 48.487 76.789 22.718 1.00 0.00 SBOX P ATOM 1110 O1P GUA A 42 49.206 76.013 23.772 1.00 0.00 SBOX ATOM 1111 O2P GUA A 42 47.629 77.885 23.185 1.00 0.00 SBOX ATOM 1112 O5' GUA A 42 47.653 75.674 21.794 1.00 0.00 SBOX O ATOM 1113 C5' GUA A 42 46.760 76.094 20.804 1.00 0.00 SBOX C ATOM 1114 H5' GUA A 42 47.151 76.794 20.065 1.00 0.00 SBOX ATOM 1115 H5'' GUA A 42 45.857 76.431 21.313 1.00 0.00 SBOX ATOM 1116 C4' GUA A 42 46.322 74.769 20.176 1.00 0.00 SBOX C ATOM 1117 H4' GUA A 42 45.736 75.047 19.300 1.00 0.00 SBOX ATOM 1118 O4' GUA A 42 47.469 74.022 19.621 1.00 0.00 SBOX O ATOM 1119 C1' GUA A 42 47.145 72.596 19.660 1.00 0.00 SBOX C ATOM 1120 H1' GUA A 42 47.074 72.312 18.610 1.00 0.00 SBOX ATOM 1121 N9 GUA A 42 48.143 71.872 20.447 1.00 0.00 SBOX N ATOM 1122 C8 GUA A 42 48.952 72.374 21.380 1.00 0.00 SBOX C ATOM 1123 H8 GUA A 42 48.984 73.421 21.643 1.00 0.00 SBOX ATOM 1124 N7 GUA A 42 49.545 71.443 22.144 1.00 0.00 SBOX N ATOM 1125 C5 GUA A 42 49.119 70.211 21.552 1.00 0.00 SBOX C ATOM 1126 C6 GUA A 42 49.473 68.884 21.879 1.00 0.00 SBOX C ATOM 1127 O6 GUA A 42 50.284 68.433 22.639 1.00 0.00 SBOX O ATOM 1128 N1 GUA A 42 48.676 67.960 21.234 1.00 0.00 SBOX N ATOM 1129 H1 GUA A 42 48.719 66.963 21.392 1.00 0.00 SBOX ATOM 1130 C2 GUA A 42 47.820 68.385 20.308 1.00 0.00 SBOX C ATOM 1131 N2 GUA A 42 47.305 67.384 19.657 1.00 0.00 SBOX N ATOM 1132 H21 GUA A 42 47.469 66.428 19.939 1.00 0.00 SBOX ATOM 1133 H22 GUA A 42 46.620 67.570 18.938 1.00 0.00 SBOX ATOM 1134 N3 GUA A 42 47.425 69.585 20.018 1.00 0.00 SBOX N ATOM 1135 C4 GUA A 42 48.150 70.507 20.627 1.00 0.00 SBOX C ATOM 1136 C3' GUA A 42 45.578 73.721 21.058 1.00 0.00 SBOX C ATOM 1137 H3' GUA A 42 46.143 73.536 21.972 1.00 0.00 SBOX ATOM 1138 C2' GUA A 42 45.650 72.487 20.158 1.00 0.00 SBOX C ATOM 1139 H2'' GUA A 42 45.463 71.568 20.713 1.00 0.00 SBOX ATOM 1140 O2' GUA A 42 44.836 72.480 18.950 1.00 0.00 SBOX O ATOM 1141 H2' GUA A 42 44.810 71.564 18.664 1.00 0.00 SBOX ATOM 1142 O3' GUA A 42 44.217 74.004 21.140 1.00 0.00 SBOX O ATOM 1143 P GUA A 43 43.251 73.448 22.309 1.00 0.00 SBOX P ATOM 1144 O1P GUA A 43 44.038 73.537 23.560 1.00 0.00 SBOX ATOM 1145 O2P GUA A 43 41.970 74.166 22.248 1.00 0.00 SBOX ATOM 1146 O5' GUA A 43 43.021 71.919 22.052 1.00 0.00 SBOX O ATOM 1147 C5' GUA A 43 42.277 71.432 20.905 1.00 0.00 SBOX C ATOM 1148 H5' GUA A 43 42.526 71.934 19.970 1.00 0.00 SBOX ATOM 1149 H5'' GUA A 43 41.191 71.518 20.953 1.00 0.00 SBOX ATOM 1150 C4' GUA A 43 42.612 69.905 20.805 1.00 0.00 SBOX C ATOM 1151 H4' GUA A 43 42.328 69.640 19.786 1.00 0.00 SBOX ATOM 1152 O4' GUA A 43 44.068 69.679 20.766 1.00 0.00 SBOX O ATOM 1153 C1' GUA A 43 44.342 68.400 21.361 1.00 0.00 SBOX C ATOM 1154 H1' GUA A 43 44.771 67.793 20.564 1.00 0.00 SBOX ATOM 1155 N9 GUA A 43 45.251 68.550 22.527 1.00 0.00 SBOX N ATOM 1156 C8 GUA A 43 45.735 69.749 23.101 1.00 0.00 SBOX C ATOM 1157 H8 GUA A 43 45.377 70.751 22.916 1.00 0.00 SBOX ATOM 1158 N7 GUA A 43 46.721 69.526 23.914 1.00 0.00 SBOX N ATOM 1159 C5 GUA A 43 46.897 68.076 23.923 1.00 0.00 SBOX C ATOM 1160 C6 GUA A 43 47.969 67.172 24.413 1.00 0.00 SBOX C ATOM 1161 O6 GUA A 43 48.929 67.291 25.130 1.00 0.00 SBOX O ATOM 1162 N1 GUA A 43 47.733 65.881 24.049 1.00 0.00 SBOX N ATOM 1163 H1 GUA A 43 48.360 65.176 24.410 1.00 0.00 SBOX ATOM 1164 C2 GUA A 43 46.724 65.376 23.269 1.00 0.00 SBOX C ATOM 1165 N2 GUA A 43 46.674 64.126 23.146 1.00 0.00 SBOX N ATOM 1166 H21 GUA A 43 47.340 63.579 23.672 1.00 0.00 SBOX ATOM 1167 H22 GUA A 43 46.051 63.603 22.547 1.00 0.00 SBOX ATOM 1168 N3 GUA A 43 45.795 66.176 22.720 1.00 0.00 SBOX N ATOM 1169 C4 GUA A 43 45.979 67.506 23.056 1.00 0.00 SBOX C ATOM 1170 C3' GUA A 43 42.019 68.968 21.869 1.00 0.00 SBOX C ATOM 1171 H3' GUA A 43 42.151 69.393 22.864 1.00 0.00 SBOX ATOM 1172 C2' GUA A 43 42.988 67.776 21.865 1.00 0.00 SBOX C ATOM 1173 H2'' GUA A 43 43.093 67.365 22.869 1.00 0.00 SBOX ATOM 1174 O2' GUA A 43 42.580 66.834 20.935 1.00 0.00 SBOX O ATOM 1175 H2' GUA A 43 42.943 65.986 21.201 1.00 0.00 SBOX ATOM 1176 O3' GUA A 43 40.613 68.729 21.821 1.00 0.00 SBOX O ATOM 1177 P CYT A 44 39.741 68.132 23.057 1.00 0.00 SBOX P ATOM 1178 O1P CYT A 44 39.959 68.832 24.335 1.00 0.00 SBOX ATOM 1179 O2P CYT A 44 38.377 68.200 22.557 1.00 0.00 SBOX ATOM 1180 O5' CYT A 44 40.228 66.586 23.272 1.00 0.00 SBOX O ATOM 1181 C5' CYT A 44 40.024 65.574 22.309 1.00 0.00 SBOX C ATOM 1182 H5' CYT A 44 40.260 65.952 21.314 1.00 0.00 SBOX ATOM 1183 H5'' CYT A 44 38.965 65.321 22.354 1.00 0.00 SBOX ATOM 1184 C4' CYT A 44 40.779 64.285 22.588 1.00 0.00 SBOX C ATOM 1185 H4' CYT A 44 40.321 63.636 21.841 1.00 0.00 SBOX ATOM 1186 O4' CYT A 44 42.202 64.465 22.633 1.00 0.00 SBOX O ATOM 1187 C1' CYT A 44 42.797 63.737 23.702 1.00 0.00 SBOX C ATOM 1188 H1' CYT A 44 43.504 63.041 23.251 1.00 0.00 SBOX ATOM 1189 N1 CYT A 44 43.393 64.647 24.812 1.00 0.00 SBOX N ATOM 1190 C6 CYT A 44 43.203 65.936 24.925 1.00 0.00 SBOX C ATOM 1191 H6 CYT A 44 42.351 66.365 24.419 1.00 0.00 SBOX ATOM 1192 C5 CYT A 44 43.996 66.807 25.492 1.00 0.00 SBOX C ATOM 1193 H5 CYT A 44 43.864 67.878 25.518 1.00 0.00 SBOX ATOM 1194 C4 CYT A 44 45.033 66.229 26.238 1.00 0.00 SBOX C ATOM 1195 N4 CYT A 44 45.788 67.046 26.896 1.00 0.00 SBOX N ATOM 1196 H41 CYT A 44 46.641 66.674 27.288 1.00 0.00 SBOX ATOM 1197 H42 CYT A 44 45.775 68.040 26.721 1.00 0.00 SBOX ATOM 1198 N3 CYT A 44 45.378 64.924 26.224 1.00 0.00 SBOX N ATOM 1199 C2 CYT A 44 44.498 64.093 25.543 1.00 0.00 SBOX C ATOM 1200 O2 CYT A 44 44.649 62.844 25.601 1.00 0.00 SBOX O ATOM 1201 C3' CYT A 44 40.374 63.667 23.946 1.00 0.00 SBOX C ATOM 1202 H3' CYT A 44 40.313 64.427 24.725 1.00 0.00 SBOX ATOM 1203 C2' CYT A 44 41.654 62.890 24.315 1.00 0.00 SBOX C ATOM 1204 H2'' CYT A 44 41.737 62.862 25.402 1.00 0.00 SBOX ATOM 1205 O2' CYT A 44 41.706 61.636 23.653 1.00 0.00 SBOX O ATOM 1206 H2' CYT A 44 42.257 60.916 23.969 1.00 0.00 SBOX ATOM 1207 O3' CYT A 44 39.197 62.872 24.031 1.00 0.00 SBOX O ATOM 1208 P ADE A 45 38.525 62.659 25.469 1.00 0.00 SBOX P ATOM 1209 O1P ADE A 45 38.129 63.982 26.003 1.00 0.00 SBOX ATOM 1210 O2P ADE A 45 37.413 61.672 25.372 1.00 0.00 SBOX ATOM 1211 O5' ADE A 45 39.605 62.024 26.464 1.00 0.00 SBOX O ATOM 1212 C5' ADE A 45 40.066 60.692 26.357 1.00 0.00 SBOX C ATOM 1213 H5' ADE A 45 40.438 60.449 25.362 1.00 0.00 SBOX ATOM 1214 H5'' ADE A 45 39.171 60.110 26.581 1.00 0.00 SBOX ATOM 1215 C4' ADE A 45 41.096 60.328 27.428 1.00 0.00 SBOX C ATOM 1216 H4' ADE A 45 41.480 59.323 27.257 1.00 0.00 SBOX ATOM 1217 O4' ADE A 45 42.159 61.208 27.274 1.00 0.00 SBOX O ATOM 1218 C1' ADE A 45 42.765 61.572 28.543 1.00 0.00 SBOX C ATOM 1219 H1' ADE A 45 43.848 61.446 28.550 1.00 0.00 SBOX ATOM 1220 N9 ADE A 45 42.515 63.056 28.852 1.00 0.00 SBOX N ATOM 1221 C8 ADE A 45 41.495 63.921 28.322 1.00 0.00 SBOX C ATOM 1222 H8 ADE A 45 40.550 63.608 27.903 1.00 0.00 SBOX ATOM 1223 N7 ADE A 45 41.758 65.180 28.533 1.00 0.00 SBOX N ATOM 1224 C5 ADE A 45 43.039 65.172 29.147 1.00 0.00 SBOX C ATOM 1225 C6 ADE A 45 43.924 66.179 29.568 1.00 0.00 SBOX C ATOM 1226 N6 ADE A 45 43.729 67.475 29.457 1.00 0.00 SBOX N ATOM 1227 H61 ADE A 45 44.381 68.089 29.925 1.00 0.00 SBOX ATOM 1228 H62 ADE A 45 42.901 67.798 28.977 1.00 0.00 SBOX ATOM 1229 N1 ADE A 45 45.129 65.962 29.991 1.00 0.00 SBOX N ATOM 1230 C2 ADE A 45 45.437 64.680 30.124 1.00 0.00 SBOX C ATOM 1231 H2 ADE A 45 46.425 64.351 30.412 1.00 0.00 SBOX ATOM 1232 N3 ADE A 45 44.693 63.601 29.922 1.00 0.00 SBOX N ATOM 1233 C4 ADE A 45 43.552 63.921 29.290 1.00 0.00 SBOX C ATOM 1234 C3' ADE A 45 40.657 60.337 28.872 1.00 0.00 SBOX C ATOM 1235 H3' ADE A 45 39.945 61.154 28.986 1.00 0.00 SBOX ATOM 1236 C2' ADE A 45 41.956 60.695 29.569 1.00 0.00 SBOX C ATOM 1237 H2'' ADE A 45 41.826 61.209 30.522 1.00 0.00 SBOX ATOM 1238 O2' ADE A 45 42.760 59.588 29.907 1.00 0.00 SBOX O ATOM 1239 H2' ADE A 45 43.635 59.833 30.216 1.00 0.00 SBOX ATOM 1240 O3' ADE A 45 40.025 59.179 29.290 1.00 0.00 SBOX O ATOM 1241 P ADE A 46 39.377 59.094 30.736 1.00 0.00 SBOX P ATOM 1242 O1P ADE A 46 38.253 60.012 30.725 1.00 0.00 SBOX ATOM 1243 O2P ADE A 46 39.039 57.669 30.954 1.00 0.00 SBOX ATOM 1244 O5' ADE A 46 40.159 59.540 32.048 1.00 0.00 SBOX O ATOM 1245 C5' ADE A 46 41.172 58.647 32.589 1.00 0.00 SBOX C ATOM 1246 H5' ADE A 46 41.935 58.515 31.821 1.00 0.00 SBOX ATOM 1247 H5'' ADE A 46 40.676 57.688 32.740 1.00 0.00 SBOX ATOM 1248 C4' ADE A 46 41.967 59.180 33.812 1.00 0.00 SBOX C ATOM 1249 H4' ADE A 46 42.861 58.585 33.998 1.00 0.00 SBOX ATOM 1250 O4' ADE A 46 42.621 60.483 33.559 1.00 0.00 SBOX O ATOM 1251 C1' ADE A 46 42.084 61.481 34.337 1.00 0.00 SBOX C ATOM 1252 H1' ADE A 46 42.868 61.902 34.966 1.00 0.00 SBOX ATOM 1253 N9 ADE A 46 41.655 62.484 33.262 1.00 0.00 SBOX N ATOM 1254 C8 ADE A 46 40.484 62.572 32.516 1.00 0.00 SBOX C ATOM 1255 H8 ADE A 46 39.817 61.727 32.425 1.00 0.00 SBOX ATOM 1256 N7 ADE A 46 40.284 63.644 31.878 1.00 0.00 SBOX N ATOM 1257 C5 ADE A 46 41.420 64.457 32.281 1.00 0.00 SBOX C ATOM 1258 C6 ADE A 46 41.834 65.763 32.090 1.00 0.00 SBOX C ATOM 1259 N6 ADE A 46 41.120 66.696 31.515 1.00 0.00 SBOX N ATOM 1260 H61 ADE A 46 41.541 67.614 31.520 1.00 0.00 SBOX ATOM 1261 H62 ADE A 46 40.493 66.381 30.788 1.00 0.00 SBOX ATOM 1262 N1 ADE A 46 42.908 66.325 32.645 1.00 0.00 SBOX N ATOM 1263 C2 ADE A 46 43.690 65.523 33.285 1.00 0.00 SBOX C ATOM 1264 H2 ADE A 46 44.590 66.025 33.609 1.00 0.00 SBOX ATOM 1265 N3 ADE A 46 43.402 64.256 33.572 1.00 0.00 SBOX N ATOM 1266 C4 ADE A 46 42.259 63.745 33.083 1.00 0.00 SBOX C ATOM 1267 C3' ADE A 46 41.140 59.384 35.097 1.00 0.00 SBOX C ATOM 1268 H3' ADE A 46 40.161 58.905 35.118 1.00 0.00 SBOX ATOM 1269 C2' ADE A 46 40.942 60.930 35.193 1.00 0.00 SBOX C ATOM 1270 H2'' ADE A 46 39.990 61.179 34.725 1.00 0.00 SBOX ATOM 1271 O2' ADE A 46 40.970 61.552 36.444 1.00 0.00 SBOX O ATOM 1272 H2' ADE A 46 41.773 61.270 36.887 1.00 0.00 SBOX ATOM 1273 O3' ADE A 46 41.908 58.912 36.194 1.00 0.00 SBOX O ATOM 1274 P CYT A 47 42.109 57.378 36.344 1.00 0.00 SBOX P ATOM 1275 O1P CYT A 47 41.536 56.776 37.577 1.00 0.00 SBOX ATOM 1276 O2P CYT A 47 41.948 56.625 35.077 1.00 0.00 SBOX ATOM 1277 O5' CYT A 47 43.631 57.566 36.750 1.00 0.00 SBOX O ATOM 1278 C5' CYT A 47 44.502 56.420 36.595 1.00 0.00 SBOX C ATOM 1279 H5' CYT A 47 44.558 56.061 35.567 1.00 0.00 SBOX ATOM 1280 H5'' CYT A 47 44.100 55.690 37.297 1.00 0.00 SBOX ATOM 1281 C4' CYT A 47 45.863 56.755 37.108 1.00 0.00 SBOX C ATOM 1282 H4' CYT A 47 46.349 55.842 37.451 1.00 0.00 SBOX ATOM 1283 O4' CYT A 47 46.690 57.184 35.983 1.00 0.00 SBOX O ATOM 1284 C1' CYT A 47 47.593 58.260 36.458 1.00 0.00 SBOX C ATOM 1285 H1' CYT A 47 48.608 58.142 36.078 1.00 0.00 SBOX ATOM 1286 N1 CYT A 47 47.166 59.614 35.895 1.00 0.00 SBOX N ATOM 1287 C6 CYT A 47 46.029 59.721 35.125 1.00 0.00 SBOX C ATOM 1288 H6 CYT A 47 45.442 58.839 34.913 1.00 0.00 SBOX ATOM 1289 C5 CYT A 47 45.722 60.950 34.613 1.00 0.00 SBOX C ATOM 1290 H5 CYT A 47 44.830 61.055 34.013 1.00 0.00 SBOX ATOM 1291 C4 CYT A 47 46.618 61.998 34.773 1.00 0.00 SBOX C ATOM 1292 N4 CYT A 47 46.340 63.151 34.262 1.00 0.00 SBOX N ATOM 1293 H41 CYT A 47 46.889 63.951 34.543 1.00 0.00 SBOX ATOM 1294 H42 CYT A 47 45.467 63.312 33.780 1.00 0.00 SBOX ATOM 1295 N3 CYT A 47 47.693 61.941 35.507 1.00 0.00 SBOX N ATOM 1296 C2 CYT A 47 47.992 60.767 36.013 1.00 0.00 SBOX C ATOM 1297 O2 CYT A 47 49.064 60.701 36.608 1.00 0.00 SBOX O ATOM 1298 C3' CYT A 47 46.066 57.768 38.279 1.00 0.00 SBOX C ATOM 1299 H3' CYT A 47 45.435 58.646 38.142 1.00 0.00 SBOX ATOM 1300 C2' CYT A 47 47.492 58.211 38.015 1.00 0.00 SBOX C ATOM 1301 H2'' CYT A 47 47.642 59.169 38.512 1.00 0.00 SBOX ATOM 1302 O2' CYT A 47 48.377 57.220 38.543 1.00 0.00 SBOX O ATOM 1303 H2' CYT A 47 49.291 57.506 38.611 1.00 0.00 SBOX ATOM 1304 O3' CYT A 47 45.743 57.189 39.590 1.00 0.00 SBOX O ATOM 1305 P CYT A 48 45.413 58.083 40.814 1.00 0.00 SBOX P ATOM 1306 O1P CYT A 48 44.160 58.795 40.503 1.00 0.00 SBOX ATOM 1307 O2P CYT A 48 45.280 57.205 41.981 1.00 0.00 SBOX ATOM 1308 O5' CYT A 48 46.589 59.056 40.999 1.00 0.00 SBOX O ATOM 1309 C5' CYT A 48 47.820 58.582 41.463 1.00 0.00 SBOX C ATOM 1310 H5' CYT A 48 48.334 57.990 40.706 1.00 0.00 SBOX ATOM 1311 H5'' CYT A 48 47.519 57.896 42.254 1.00 0.00 SBOX ATOM 1312 C4' CYT A 48 48.824 59.638 41.804 1.00 0.00 SBOX C ATOM 1313 H4' CYT A 48 49.707 59.172 42.241 1.00 0.00 SBOX ATOM 1314 O4' CYT A 48 49.231 60.121 40.572 1.00 0.00 SBOX O ATOM 1315 C1' CYT A 48 49.541 61.536 40.722 1.00 0.00 SBOX C ATOM 1316 H1' CYT A 48 50.508 61.806 40.299 1.00 0.00 SBOX ATOM 1317 N1 CYT A 48 48.540 62.304 39.979 1.00 0.00 SBOX N ATOM 1318 C6 CYT A 48 47.449 61.744 39.389 1.00 0.00 SBOX C ATOM 1319 H6 CYT A 48 47.064 60.764 39.628 1.00 0.00 SBOX ATOM 1320 C5 CYT A 48 46.634 62.542 38.640 1.00 0.00 SBOX C ATOM 1321 H5 CYT A 48 45.693 62.163 38.271 1.00 0.00 SBOX ATOM 1322 C4 CYT A 48 46.992 63.904 38.396 1.00 0.00 SBOX C ATOM 1323 N4 CYT A 48 46.316 64.652 37.564 1.00 0.00 SBOX N ATOM 1324 H41 CYT A 48 46.724 65.569 37.454 1.00 0.00 SBOX ATOM 1325 H42 CYT A 48 45.423 64.322 37.228 1.00 0.00 SBOX ATOM 1326 N3 CYT A 48 48.165 64.357 38.793 1.00 0.00 SBOX N ATOM 1327 C2 CYT A 48 48.909 63.557 39.645 1.00 0.00 SBOX C ATOM 1328 O2 CYT A 48 49.910 64.123 40.038 1.00 0.00 SBOX O ATOM 1329 C3' CYT A 48 48.356 60.843 42.615 1.00 0.00 SBOX C ATOM 1330 H3' CYT A 48 47.398 61.207 42.244 1.00 0.00 SBOX ATOM 1331 C2' CYT A 48 49.467 61.771 42.211 1.00 0.00 SBOX C ATOM 1332 H2'' CYT A 48 49.100 62.752 42.511 1.00 0.00 SBOX ATOM 1333 O2' CYT A 48 50.739 61.528 42.826 1.00 0.00 SBOX O ATOM 1334 H2' CYT A 48 51.466 61.998 42.410 1.00 0.00 SBOX ATOM 1335 O3' CYT A 48 48.173 60.439 43.996 1.00 0.00 SBOX O ATOM 1336 P ADE A 49 47.306 61.317 45.021 1.00 0.00 SBOX P ATOM 1337 O1P ADE A 49 45.991 61.394 44.319 1.00 0.00 SBOX ATOM 1338 O2P ADE A 49 47.401 60.777 46.375 1.00 0.00 SBOX ATOM 1339 O5' ADE A 49 47.911 62.773 44.953 1.00 0.00 SBOX O ATOM 1340 C5' ADE A 49 49.140 63.168 45.577 1.00 0.00 SBOX C ATOM 1341 H5' ADE A 49 49.964 62.571 45.187 1.00 0.00 SBOX ATOM 1342 H5'' ADE A 49 49.143 63.070 46.663 1.00 0.00 SBOX ATOM 1343 C4' ADE A 49 49.521 64.587 45.257 1.00 0.00 SBOX C ATOM 1344 H4' ADE A 49 50.520 64.858 45.598 1.00 0.00 SBOX ATOM 1345 O4' ADE A 49 49.460 64.770 43.832 1.00 0.00 SBOX O ATOM 1346 C1' ADE A 49 49.034 66.129 43.498 1.00 0.00 SBOX C ATOM 1347 H1' ADE A 49 49.863 66.548 42.929 1.00 0.00 SBOX ATOM 1348 N9 ADE A 49 47.946 65.958 42.510 1.00 0.00 SBOX N ATOM 1349 C8 ADE A 49 47.200 64.835 42.267 1.00 0.00 SBOX C ATOM 1350 H8 ADE A 49 47.375 63.835 42.636 1.00 0.00 SBOX ATOM 1351 N7 ADE A 49 46.130 65.002 41.579 1.00 0.00 SBOX N ATOM 1352 C5 ADE A 49 46.204 66.355 41.170 1.00 0.00 SBOX C ATOM 1353 C6 ADE A 49 45.377 67.279 40.392 1.00 0.00 SBOX C ATOM 1354 N6 ADE A 49 44.429 66.889 39.558 1.00 0.00 SBOX N ATOM 1355 H61 ADE A 49 44.095 67.685 39.036 1.00 0.00 SBOX ATOM 1356 H62 ADE A 49 44.065 65.949 39.494 1.00 0.00 SBOX ATOM 1357 N1 ADE A 49 45.609 68.548 40.419 1.00 0.00 SBOX N ATOM 1358 C2 ADE A 49 46.650 68.995 41.089 1.00 0.00 SBOX C ATOM 1359 H2 ADE A 49 46.783 70.066 41.062 1.00 0.00 SBOX ATOM 1360 N3 ADE A 49 47.521 68.256 41.812 1.00 0.00 SBOX N ATOM 1361 C4 ADE A 49 47.242 66.926 41.791 1.00 0.00 SBOX C ATOM 1362 C3' ADE A 49 48.492 65.630 45.780 1.00 0.00 SBOX C ATOM 1363 H3' ADE A 49 47.464 65.287 45.664 1.00 0.00 SBOX ATOM 1364 C2' ADE A 49 48.772 66.823 44.781 1.00 0.00 SBOX C ATOM 1365 H2'' ADE A 49 47.880 67.450 44.759 1.00 0.00 SBOX ATOM 1366 O2' ADE A 49 49.820 67.747 45.050 1.00 0.00 SBOX O ATOM 1367 H2' ADE A 49 49.870 67.743 46.009 1.00 0.00 SBOX ATOM 1368 O3' ADE A 49 48.763 65.974 47.151 1.00 0.00 SBOX O ATOM 1369 P GUA A 50 47.615 65.949 48.225 1.00 0.00 SBOX P ATOM 1370 O1P GUA A 50 46.737 64.837 47.986 1.00 0.00 SBOX ATOM 1371 O2P GUA A 50 48.226 66.159 49.503 1.00 0.00 SBOX ATOM 1372 O5' GUA A 50 46.861 67.321 47.878 1.00 0.00 SBOX O ATOM 1373 C5' GUA A 50 45.932 67.385 46.772 1.00 0.00 SBOX C ATOM 1374 H5' GUA A 50 45.177 66.641 47.026 1.00 0.00 SBOX ATOM 1375 H5'' GUA A 50 46.442 67.049 45.869 1.00 0.00 SBOX ATOM 1376 C4' GUA A 50 45.377 68.810 46.569 1.00 0.00 SBOX C ATOM 1377 H4' GUA A 50 45.990 69.558 47.072 1.00 0.00 SBOX ATOM 1378 O4' GUA A 50 45.498 69.141 45.144 1.00 0.00 SBOX O ATOM 1379 C1' GUA A 50 44.175 69.429 44.675 1.00 0.00 SBOX C ATOM 1380 H1' GUA A 50 44.024 70.321 44.068 1.00 0.00 SBOX ATOM 1381 N9 GUA A 50 43.624 68.269 43.892 1.00 0.00 SBOX N ATOM 1382 C8 GUA A 50 43.929 66.934 43.884 1.00 0.00 SBOX C ATOM 1383 H8 GUA A 50 44.605 66.463 44.582 1.00 0.00 SBOX ATOM 1384 N7 GUA A 50 43.272 66.252 42.955 1.00 0.00 SBOX N ATOM 1385 C5 GUA A 50 42.508 67.228 42.359 1.00 0.00 SBOX C ATOM 1386 C6 GUA A 50 41.599 67.009 41.250 1.00 0.00 SBOX C ATOM 1387 O6 GUA A 50 41.252 65.924 40.749 1.00 0.00 SBOX O ATOM 1388 N1 GUA A 50 41.203 68.232 40.675 1.00 0.00 SBOX N ATOM 1389 H1 GUA A 50 40.793 68.183 39.753 1.00 0.00 SBOX ATOM 1390 C2 GUA A 50 41.500 69.410 41.142 1.00 0.00 SBOX C ATOM 1391 N2 GUA A 50 41.152 70.463 40.417 1.00 0.00 SBOX N ATOM 1392 H21 GUA A 50 40.462 70.409 39.681 1.00 0.00 SBOX ATOM 1393 H22 GUA A 50 41.451 71.389 40.687 1.00 0.00 SBOX ATOM 1394 N3 GUA A 50 42.332 69.668 42.138 1.00 0.00 SBOX N ATOM 1395 C4 GUA A 50 42.797 68.496 42.747 1.00 0.00 SBOX C ATOM 1396 C3' GUA A 50 43.887 68.918 46.990 1.00 0.00 SBOX C ATOM 1397 H3' GUA A 50 43.471 67.914 46.913 1.00 0.00 SBOX ATOM 1398 C2' GUA A 50 43.240 69.740 45.838 1.00 0.00 SBOX C ATOM 1399 H2'' GUA A 50 42.236 69.358 45.656 1.00 0.00 SBOX ATOM 1400 O2' GUA A 50 43.181 71.171 46.118 1.00 0.00 SBOX O ATOM 1401 H2' GUA A 50 42.568 71.598 45.515 1.00 0.00 SBOX ATOM 1402 O3' GUA A 50 43.588 69.451 48.262 1.00 0.00 SBOX O ATOM 1403 P ADE A 51 42.763 68.694 49.234 1.00 0.00 SBOX P ATOM 1404 O1P ADE A 51 43.231 67.245 49.395 1.00 0.00 SBOX ATOM 1405 O2P ADE A 51 42.764 69.535 50.529 1.00 0.00 SBOX ATOM 1406 O5' ADE A 51 41.367 68.706 48.425 1.00 0.00 SBOX O ATOM 1407 C5' ADE A 51 40.254 67.964 48.837 1.00 0.00 SBOX C ATOM 1408 H5' ADE A 51 40.204 67.905 49.924 1.00 0.00 SBOX ATOM 1409 H5'' ADE A 51 40.446 66.968 48.438 1.00 0.00 SBOX ATOM 1410 C4' ADE A 51 38.919 68.527 48.272 1.00 0.00 SBOX C ATOM 1411 H4' ADE A 51 38.162 67.746 48.345 1.00 0.00 SBOX ATOM 1412 O4' ADE A 51 38.524 69.635 49.052 1.00 0.00 SBOX O ATOM 1413 C1' ADE A 51 38.252 70.741 48.152 1.00 0.00 SBOX C ATOM 1414 H1' ADE A 51 37.274 71.130 48.438 1.00 0.00 SBOX ATOM 1415 N9 ADE A 51 39.180 71.843 48.337 1.00 0.00 SBOX N ATOM 1416 C8 ADE A 51 40.381 71.754 49.007 1.00 0.00 SBOX C ATOM 1417 H8 ADE A 51 40.792 70.825 49.374 1.00 0.00 SBOX ATOM 1418 N7 ADE A 51 41.000 72.916 49.101 1.00 0.00 SBOX N ATOM 1419 C5 ADE A 51 40.007 73.825 48.591 1.00 0.00 SBOX C ATOM 1420 C6 ADE A 51 39.916 75.189 48.345 1.00 0.00 SBOX C ATOM 1421 N6 ADE A 51 40.818 76.099 48.567 1.00 0.00 SBOX N ATOM 1422 H61 ADE A 51 40.628 77.057 48.309 1.00 0.00 SBOX ATOM 1423 H62 ADE A 51 41.541 75.767 49.190 1.00 0.00 SBOX ATOM 1424 N1 ADE A 51 38.874 75.783 47.794 1.00 0.00 SBOX N ATOM 1425 C2 ADE A 51 37.891 74.980 47.413 1.00 0.00 SBOX C ATOM 1426 H2 ADE A 51 37.021 75.454 46.984 1.00 0.00 SBOX ATOM 1427 N3 ADE A 51 37.853 73.668 47.531 1.00 0.00 SBOX N ATOM 1428 C4 ADE A 51 38.932 73.173 48.089 1.00 0.00 SBOX C ATOM 1429 C3' ADE A 51 39.068 68.879 46.792 1.00 0.00 SBOX C ATOM 1430 H3' ADE A 51 40.085 69.213 46.585 1.00 0.00 SBOX ATOM 1431 C2' ADE A 51 38.272 70.183 46.751 1.00 0.00 SBOX C ATOM 1432 H2'' ADE A 51 38.703 70.823 45.980 1.00 0.00 SBOX ATOM 1433 O2' ADE A 51 36.915 69.884 46.472 1.00 0.00 SBOX O ATOM 1434 H2' ADE A 51 36.984 69.322 45.697 1.00 0.00 SBOX ATOM 1435 O3' ADE A 51 38.520 67.877 46.009 1.00 0.00 SBOX O ATOM 1436 P ADE A 52 38.923 67.832 44.485 1.00 0.00 SBOX P ATOM 1437 O1P ADE A 52 40.366 68.168 44.378 1.00 0.00 SBOX ATOM 1438 O2P ADE A 52 38.358 66.560 43.903 1.00 0.00 SBOX ATOM 1439 O5' ADE A 52 38.021 69.002 43.820 1.00 0.00 SBOX O ATOM 1440 C5' ADE A 52 38.576 69.807 42.762 1.00 0.00 SBOX C ATOM 1441 H5' ADE A 52 38.551 69.222 41.843 1.00 0.00 SBOX ATOM 1442 H5'' ADE A 52 39.609 70.123 42.912 1.00 0.00 SBOX ATOM 1443 C4' ADE A 52 37.634 70.977 42.648 1.00 0.00 SBOX C ATOM 1444 H4' ADE A 52 36.619 70.583 42.602 1.00 0.00 SBOX ATOM 1445 O4' ADE A 52 37.716 71.730 43.843 1.00 0.00 SBOX O ATOM 1446 C1' ADE A 52 38.031 73.083 43.531 1.00 0.00 SBOX C ATOM 1447 H1' ADE A 52 37.378 73.767 44.073 1.00 0.00 SBOX ATOM 1448 N9 ADE A 52 39.466 73.344 43.915 1.00 0.00 SBOX N ATOM 1449 C8 ADE A 52 40.493 72.546 44.284 1.00 0.00 SBOX C ATOM 1450 H8 ADE A 52 40.475 71.471 44.181 1.00 0.00 SBOX ATOM 1451 N7 ADE A 52 41.542 73.061 44.878 1.00 0.00 SBOX N ATOM 1452 C5 ADE A 52 41.237 74.422 44.807 1.00 0.00 SBOX C ATOM 1453 C6 ADE A 52 41.875 75.625 45.120 1.00 0.00 SBOX C ATOM 1454 N6 ADE A 52 43.057 75.724 45.700 1.00 0.00 SBOX N ATOM 1455 H61 ADE A 52 43.260 76.655 46.033 1.00 0.00 SBOX ATOM 1456 H62 ADE A 52 43.391 74.824 46.016 1.00 0.00 SBOX ATOM 1457 N1 ADE A 52 41.262 76.782 44.987 1.00 0.00 SBOX N ATOM 1458 C2 ADE A 52 40.007 76.773 44.545 1.00 0.00 SBOX C ATOM 1459 H2 ADE A 52 39.528 77.741 44.526 1.00 0.00 SBOX ATOM 1460 N3 ADE A 52 39.362 75.691 44.155 1.00 0.00 SBOX N ATOM 1461 C4 ADE A 52 40.043 74.546 44.236 1.00 0.00 SBOX C ATOM 1462 C3' ADE A 52 38.108 71.914 41.508 1.00 0.00 SBOX C ATOM 1463 H3' ADE A 52 39.155 71.744 41.258 1.00 0.00 SBOX ATOM 1464 C2' ADE A 52 37.651 73.224 42.069 1.00 0.00 SBOX C ATOM 1465 H2'' ADE A 52 38.211 74.037 41.605 1.00 0.00 SBOX ATOM 1466 O2' ADE A 52 36.272 73.488 41.862 1.00 0.00 SBOX O ATOM 1467 H2' ADE A 52 35.984 72.935 41.132 1.00 0.00 SBOX ATOM 1468 O3' ADE A 52 37.407 71.634 40.404 1.00 0.00 SBOX O ATOM 1469 P ADE A 53 37.950 71.933 38.888 1.00 0.00 SBOX P ATOM 1470 O1P ADE A 53 38.986 70.897 38.742 1.00 0.00 SBOX ATOM 1471 O2P ADE A 53 36.658 71.881 38.174 1.00 0.00 SBOX ATOM 1472 O5' ADE A 53 38.595 73.367 38.987 1.00 0.00 SBOX O ATOM 1473 C5' ADE A 53 38.050 74.520 38.304 1.00 0.00 SBOX C ATOM 1474 H5' ADE A 53 37.002 74.594 38.595 1.00 0.00 SBOX ATOM 1475 H5'' ADE A 53 38.070 74.336 37.230 1.00 0.00 SBOX ATOM 1476 C4' ADE A 53 38.783 75.789 38.702 1.00 0.00 SBOX C ATOM 1477 H4' ADE A 53 38.174 76.671 38.506 1.00 0.00 SBOX ATOM 1478 O4' ADE A 53 39.057 75.654 40.126 1.00 0.00 SBOX O ATOM 1479 C1' ADE A 53 40.280 76.371 40.516 1.00 0.00 SBOX C ATOM 1480 H1' ADE A 53 40.099 77.019 41.373 1.00 0.00 SBOX ATOM 1481 N9 ADE A 53 41.278 75.311 40.848 1.00 0.00 SBOX N ATOM 1482 C8 ADE A 53 41.159 73.957 40.906 1.00 0.00 SBOX C ATOM 1483 H8 ADE A 53 40.339 73.463 40.406 1.00 0.00 SBOX ATOM 1484 N7 ADE A 53 42.070 73.358 41.602 1.00 0.00 SBOX N ATOM 1485 C5 ADE A 53 42.919 74.450 41.982 1.00 0.00 SBOX C ATOM 1486 C6 ADE A 53 44.141 74.647 42.657 1.00 0.00 SBOX C ATOM 1487 N6 ADE A 53 44.864 73.793 43.287 1.00 0.00 SBOX N ATOM 1488 H61 ADE A 53 45.755 74.267 43.322 1.00 0.00 SBOX ATOM 1489 H62 ADE A 53 44.806 72.798 43.122 1.00 0.00 SBOX ATOM 1490 N1 ADE A 53 44.760 75.775 42.730 1.00 0.00 SBOX N ATOM 1491 C2 ADE A 53 44.152 76.841 42.257 1.00 0.00 SBOX C ATOM 1492 H2 ADE A 53 44.725 77.751 42.355 1.00 0.00 SBOX ATOM 1493 N3 ADE A 53 42.929 76.846 41.771 1.00 0.00 SBOX N ATOM 1494 C4 ADE A 53 42.353 75.603 41.620 1.00 0.00 SBOX C ATOM 1495 C3' ADE A 53 40.108 76.151 38.109 1.00 0.00 SBOX C ATOM 1496 H3' ADE A 53 40.687 75.230 38.050 1.00 0.00 SBOX ATOM 1497 C2' ADE A 53 40.612 77.090 39.226 1.00 0.00 SBOX C ATOM 1498 H2'' ADE A 53 41.691 77.230 39.155 1.00 0.00 SBOX ATOM 1499 O2' ADE A 53 39.920 78.411 39.255 1.00 0.00 SBOX O ATOM 1500 H2' ADE A 53 39.881 78.613 38.318 1.00 0.00 SBOX ATOM 1501 O3' ADE A 53 40.116 76.862 36.867 1.00 0.00 SBOX O ATOM 1502 P URA A 54 40.760 76.170 35.578 1.00 0.00 SBOX P ATOM 1503 O1P URA A 54 39.998 74.943 35.338 1.00 0.00 SBOX ATOM 1504 O2P URA A 54 40.800 77.190 34.527 1.00 0.00 SBOX ATOM 1505 O5' URA A 54 42.244 75.909 36.028 1.00 0.00 SBOX O ATOM 1506 C5' URA A 54 43.045 76.914 36.653 1.00 0.00 SBOX C ATOM 1507 H5' URA A 54 42.386 77.504 37.289 1.00 0.00 SBOX ATOM 1508 H5'' URA A 54 43.479 77.647 35.973 1.00 0.00 SBOX ATOM 1509 C4' URA A 54 44.053 76.369 37.675 1.00 0.00 SBOX C ATOM 1510 H4' URA A 54 44.619 77.175 38.143 1.00 0.00 SBOX ATOM 1511 O4' URA A 54 43.407 75.505 38.603 1.00 0.00 SBOX O ATOM 1512 C1' URA A 54 44.254 74.416 38.954 1.00 0.00 SBOX C ATOM 1513 H1' URA A 54 44.588 74.576 39.979 1.00 0.00 SBOX ATOM 1514 N1 URA A 54 43.685 73.061 38.762 1.00 0.00 SBOX N ATOM 1515 C6 URA A 54 42.736 72.828 37.774 1.00 0.00 SBOX C ATOM 1516 H6 URA A 54 42.373 73.689 37.233 1.00 0.00 SBOX ATOM 1517 C5 URA A 54 42.520 71.534 37.431 1.00 0.00 SBOX C ATOM 1518 H5 URA A 54 41.917 71.236 36.586 1.00 0.00 SBOX ATOM 1519 C4 URA A 54 43.074 70.422 38.138 1.00 0.00 SBOX C ATOM 1520 O4 URA A 54 42.820 69.187 37.956 1.00 0.00 SBOX O ATOM 1521 N3 URA A 54 43.859 70.758 39.196 1.00 0.00 SBOX N ATOM 1522 H3 URA A 54 44.121 70.015 39.828 1.00 0.00 SBOX ATOM 1523 C2 URA A 54 44.305 72.051 39.468 1.00 0.00 SBOX C ATOM 1524 O2 URA A 54 45.148 72.262 40.291 1.00 0.00 SBOX O ATOM 1525 C3' URA A 54 45.039 75.501 36.881 1.00 0.00 SBOX C ATOM 1526 H3' URA A 54 44.551 74.941 36.084 1.00 0.00 SBOX ATOM 1527 C2' URA A 54 45.452 74.512 37.959 1.00 0.00 SBOX C ATOM 1528 H2'' URA A 54 45.641 73.546 37.489 1.00 0.00 SBOX ATOM 1529 O2' URA A 54 46.581 74.893 38.762 1.00 0.00 SBOX O ATOM 1530 H2' URA A 54 47.361 74.607 38.281 1.00 0.00 SBOX ATOM 1531 O3' URA A 54 46.187 76.205 36.406 1.00 0.00 SBOX O ATOM 1532 P GUA A 55 47.091 75.463 35.257 1.00 0.00 SBOX P ATOM 1533 O1P GUA A 55 46.278 74.502 34.442 1.00 0.00 SBOX ATOM 1534 O2P GUA A 55 47.802 76.574 34.562 1.00 0.00 SBOX ATOM 1535 O5' GUA A 55 48.226 74.626 35.943 1.00 0.00 SBOX O ATOM 1536 C5' GUA A 55 49.385 75.164 36.485 1.00 0.00 SBOX C ATOM 1537 H5' GUA A 55 49.135 76.032 37.094 1.00 0.00 SBOX ATOM 1538 H5'' GUA A 55 50.136 75.458 35.752 1.00 0.00 SBOX ATOM 1539 C4' GUA A 55 50.071 74.210 37.479 1.00 0.00 SBOX C ATOM 1540 H4' GUA A 55 50.767 74.890 37.971 1.00 0.00 SBOX ATOM 1541 O4' GUA A 55 49.168 73.633 38.432 1.00 0.00 SBOX O ATOM 1542 C1' GUA A 55 49.587 72.304 38.653 1.00 0.00 SBOX C ATOM 1543 H1' GUA A 55 49.572 72.086 39.721 1.00 0.00 SBOX ATOM 1544 N9 GUA A 55 48.663 71.282 38.094 1.00 0.00 SBOX N ATOM 1545 C8 GUA A 55 47.677 71.482 37.180 1.00 0.00 SBOX C ATOM 1546 H8 GUA A 55 47.357 72.479 36.916 1.00 0.00 SBOX ATOM 1547 N7 GUA A 55 47.112 70.412 36.815 1.00 0.00 SBOX N ATOM 1548 C5 GUA A 55 47.788 69.407 37.510 1.00 0.00 SBOX C ATOM 1549 C6 GUA A 55 47.635 67.968 37.452 1.00 0.00 SBOX C ATOM 1550 O6 GUA A 55 46.916 67.287 36.662 1.00 0.00 SBOX O ATOM 1551 N1 GUA A 55 48.460 67.308 38.281 1.00 0.00 SBOX N ATOM 1552 H1 GUA A 55 48.367 66.311 38.410 1.00 0.00 SBOX ATOM 1553 C2 GUA A 55 49.354 67.936 39.111 1.00 0.00 SBOX C ATOM 1554 N2 GUA A 55 50.086 67.193 39.879 1.00 0.00 SBOX N ATOM 1555 H21 GUA A 55 50.088 66.188 39.783 1.00 0.00 SBOX ATOM 1556 H22 GUA A 55 50.595 67.665 40.612 1.00 0.00 SBOX ATOM 1557 N3 GUA A 55 49.555 69.274 39.186 1.00 0.00 SBOX N ATOM 1558 C4 GUA A 55 48.708 69.945 38.377 1.00 0.00 SBOX C ATOM 1559 C3' GUA A 55 51.002 73.039 36.897 1.00 0.00 SBOX C ATOM 1560 H3' GUA A 55 50.499 72.518 36.082 1.00 0.00 SBOX ATOM 1561 C2' GUA A 55 50.963 72.092 38.071 1.00 0.00 SBOX C ATOM 1562 H2'' GUA A 55 51.154 71.049 37.818 1.00 0.00 SBOX ATOM 1563 O2' GUA A 55 51.796 72.375 39.173 1.00 0.00 SBOX O ATOM 1564 H2' GUA A 55 52.028 71.573 39.648 1.00 0.00 SBOX ATOM 1565 O3' GUA A 55 52.279 73.425 36.470 1.00 0.00 SBOX O ATOM 1566 P GUA A 56 53.023 72.500 35.334 1.00 0.00 SBOX P ATOM 1567 O1P GUA A 56 52.101 72.295 34.209 1.00 0.00 SBOX ATOM 1568 O2P GUA A 56 54.321 73.036 35.053 1.00 0.00 SBOX ATOM 1569 O5' GUA A 56 53.260 71.121 36.077 1.00 0.00 SBOX O ATOM 1570 C5' GUA A 56 54.039 71.159 37.276 1.00 0.00 SBOX C ATOM 1571 H5' GUA A 56 53.675 71.683 38.160 1.00 0.00 SBOX ATOM 1572 H5'' GUA A 56 55.012 71.619 37.108 1.00 0.00 SBOX ATOM 1573 C4' GUA A 56 54.237 69.688 37.701 1.00 0.00 SBOX C ATOM 1574 H4' GUA A 56 54.975 69.622 38.501 1.00 0.00 SBOX ATOM 1575 O4' GUA A 56 53.095 68.934 38.078 1.00 0.00 SBOX O ATOM 1576 C1' GUA A 56 53.124 67.531 37.652 1.00 0.00 SBOX C ATOM 1577 H1' GUA A 56 53.128 67.035 38.623 1.00 0.00 SBOX ATOM 1578 N9 GUA A 56 52.021 67.226 36.652 1.00 0.00 SBOX N ATOM 1579 C8 GUA A 56 51.438 68.155 35.820 1.00 0.00 SBOX C ATOM 1580 H8 GUA A 56 51.775 69.179 35.753 1.00 0.00 SBOX ATOM 1581 N7 GUA A 56 50.422 67.667 35.213 1.00 0.00 SBOX N ATOM 1582 C5 GUA A 56 50.230 66.349 35.537 1.00 0.00 SBOX C ATOM 1583 C6 GUA A 56 49.342 65.301 35.213 1.00 0.00 SBOX C ATOM 1584 O6 GUA A 56 48.356 65.224 34.461 1.00 0.00 SBOX O ATOM 1585 N1 GUA A 56 49.743 64.131 35.606 1.00 0.00 SBOX N ATOM 1586 H1 GUA A 56 49.108 63.357 35.467 1.00 0.00 SBOX ATOM 1587 C2 GUA A 56 50.771 63.930 36.520 1.00 0.00 SBOX C ATOM 1588 N2 GUA A 56 51.002 62.689 36.948 1.00 0.00 SBOX N ATOM 1589 H21 GUA A 56 50.368 61.959 36.657 1.00 0.00 SBOX ATOM 1590 H22 GUA A 56 51.823 62.599 37.529 1.00 0.00 SBOX ATOM 1591 N3 GUA A 56 51.580 64.858 36.949 1.00 0.00 SBOX N ATOM 1592 C4 GUA A 56 51.289 66.088 36.445 1.00 0.00 SBOX C ATOM 1593 C3' GUA A 56 54.798 68.847 36.520 1.00 0.00 SBOX C ATOM 1594 H3' GUA A 56 54.229 69.121 35.632 1.00 0.00 SBOX ATOM 1595 C2' GUA A 56 54.520 67.338 37.045 1.00 0.00 SBOX C ATOM 1596 H2'' GUA A 56 54.290 66.692 36.197 1.00 0.00 SBOX ATOM 1597 O2' GUA A 56 55.427 66.774 37.982 1.00 0.00 SBOX O ATOM 1598 H2' GUA A 56 55.247 65.831 37.972 1.00 0.00 SBOX ATOM 1599 O3' GUA A 56 56.202 69.089 36.179 1.00 0.00 SBOX O ATOM 1600 P URA A 57 56.936 68.640 34.817 1.00 0.00 SBOX P ATOM 1601 O1P URA A 57 56.279 69.419 33.731 1.00 0.00 SBOX ATOM 1602 O2P URA A 57 58.360 68.829 35.056 1.00 0.00 SBOX ATOM 1603 O5' URA A 57 56.524 67.033 34.609 1.00 0.00 SBOX O ATOM 1604 C5' URA A 57 55.594 66.626 33.680 1.00 0.00 SBOX C ATOM 1605 H5' URA A 57 56.021 66.737 32.684 1.00 0.00 SBOX ATOM 1606 H5'' URA A 57 54.692 67.229 33.781 1.00 0.00 SBOX ATOM 1607 C4' URA A 57 55.208 65.188 33.816 1.00 0.00 SBOX C ATOM 1608 H4' URA A 57 55.894 64.674 34.490 1.00 0.00 SBOX ATOM 1609 O4' URA A 57 53.870 65.087 34.273 1.00 0.00 SBOX O ATOM 1610 C1' URA A 57 53.377 63.779 34.097 1.00 0.00 SBOX C ATOM 1611 H1' URA A 57 53.262 63.177 34.999 1.00 0.00 SBOX ATOM 1612 N1 URA A 57 52.114 63.773 33.314 1.00 0.00 SBOX N ATOM 1613 C6 URA A 57 51.500 64.933 32.806 1.00 0.00 SBOX C ATOM 1614 H6 URA A 57 51.904 65.897 33.077 1.00 0.00 SBOX ATOM 1615 C5 URA A 57 50.241 64.831 32.257 1.00 0.00 SBOX C ATOM 1616 H5 URA A 57 49.715 65.703 31.898 1.00 0.00 SBOX ATOM 1617 C4 URA A 57 49.529 63.607 32.132 1.00 0.00 SBOX C ATOM 1618 O4 URA A 57 48.481 63.419 31.506 1.00 0.00 SBOX O ATOM 1619 N3 URA A 57 50.223 62.506 32.610 1.00 0.00 SBOX N ATOM 1620 H3 URA A 57 49.694 61.647 32.650 1.00 0.00 SBOX ATOM 1621 C2 URA A 57 51.431 62.555 33.325 1.00 0.00 SBOX C ATOM 1622 O2 URA A 57 51.965 61.564 33.727 1.00 0.00 SBOX O ATOM 1623 C3' URA A 57 55.133 64.257 32.588 1.00 0.00 SBOX C ATOM 1624 H3' URA A 57 54.532 64.656 31.770 1.00 0.00 SBOX ATOM 1625 C2' URA A 57 54.402 63.115 33.188 1.00 0.00 SBOX C ATOM 1626 H2'' URA A 57 54.040 62.446 32.407 1.00 0.00 SBOX ATOM 1627 O2' URA A 57 55.155 62.399 34.139 1.00 0.00 SBOX O ATOM 1628 H2' URA A 57 55.527 61.626 33.708 1.00 0.00 SBOX ATOM 1629 O3' URA A 57 56.466 63.916 32.175 1.00 0.00 SBOX O ATOM 1630 P GUA A 58 56.731 63.712 30.605 1.00 0.00 SBOX P ATOM 1631 O1P GUA A 58 56.728 65.074 30.021 1.00 0.00 SBOX ATOM 1632 O2P GUA A 58 57.906 62.825 30.605 1.00 0.00 SBOX ATOM 1633 O5' GUA A 58 55.449 62.990 29.954 1.00 0.00 SBOX O ATOM 1634 C5' GUA A 58 55.416 61.589 30.185 1.00 0.00 SBOX C ATOM 1635 H5' GUA A 58 55.827 61.320 31.158 1.00 0.00 SBOX ATOM 1636 H5'' GUA A 58 56.077 61.097 29.470 1.00 0.00 SBOX ATOM 1637 C4' GUA A 58 54.053 60.886 29.952 1.00 0.00 SBOX C ATOM 1638 H4' GUA A 58 54.074 59.898 30.412 1.00 0.00 SBOX ATOM 1639 O4' GUA A 58 52.901 61.626 30.377 1.00 0.00 SBOX O ATOM 1640 C1' GUA A 58 51.781 61.327 29.569 1.00 0.00 SBOX C ATOM 1641 H1' GUA A 58 51.130 60.766 30.239 1.00 0.00 SBOX ATOM 1642 N9 GUA A 58 51.224 62.632 29.029 1.00 0.00 SBOX N ATOM 1643 C8 GUA A 58 51.750 63.894 29.232 1.00 0.00 SBOX C ATOM 1644 H8 GUA A 58 52.775 64.068 29.524 1.00 0.00 SBOX ATOM 1645 N7 GUA A 58 50.986 64.864 29.114 1.00 0.00 SBOX N ATOM 1646 C5 GUA A 58 49.812 64.305 28.623 1.00 0.00 SBOX C ATOM 1647 C6 GUA A 58 48.588 64.814 28.102 1.00 0.00 SBOX C ATOM 1648 O6 GUA A 58 48.301 66.066 28.064 1.00 0.00 SBOX O ATOM 1649 N1 GUA A 58 47.641 63.896 27.623 1.00 0.00 SBOX N ATOM 1650 H1 GUA A 58 46.832 64.179 27.089 1.00 0.00 SBOX ATOM 1651 C2 GUA A 58 47.803 62.593 27.707 1.00 0.00 SBOX C ATOM 1652 N2 GUA A 58 47.039 61.915 26.935 1.00 0.00 SBOX N ATOM 1653 H21 GUA A 58 46.199 62.368 26.604 1.00 0.00 SBOX ATOM 1654 H22 GUA A 58 47.158 60.912 26.960 1.00 0.00 SBOX ATOM 1655 N3 GUA A 58 48.962 62.026 28.128 1.00 0.00 SBOX N ATOM 1656 C4 GUA A 58 49.943 62.931 28.561 1.00 0.00 SBOX C ATOM 1657 C3' GUA A 58 53.814 60.642 28.453 1.00 0.00 SBOX C ATOM 1658 H3' GUA A 58 54.097 61.551 27.921 1.00 0.00 SBOX ATOM 1659 C2' GUA A 58 52.279 60.433 28.416 1.00 0.00 SBOX C ATOM 1660 H2'' GUA A 58 51.875 60.749 27.454 1.00 0.00 SBOX ATOM 1661 O2' GUA A 58 51.868 59.076 28.764 1.00 0.00 SBOX O ATOM 1662 H2' GUA A 58 52.619 58.490 28.641 1.00 0.00 SBOX ATOM 1663 O3' GUA A 58 54.523 59.457 28.063 1.00 0.00 SBOX O ATOM 1664 P CYT A 59 54.866 59.307 26.512 1.00 0.00 SBOX P ATOM 1665 O1P CYT A 59 55.597 60.469 26.070 1.00 0.00 SBOX ATOM 1666 O2P CYT A 59 55.633 58.048 26.385 1.00 0.00 SBOX ATOM 1667 O5' CYT A 59 53.501 59.135 25.723 1.00 0.00 SBOX O ATOM 1668 C5' CYT A 59 52.782 57.934 25.516 1.00 0.00 SBOX C ATOM 1669 H5' CYT A 59 52.707 57.464 26.497 1.00 0.00 SBOX ATOM 1670 H5'' CYT A 59 53.268 57.231 24.840 1.00 0.00 SBOX ATOM 1671 C4' CYT A 59 51.383 58.319 24.891 1.00 0.00 SBOX C ATOM 1672 H4' CYT A 59 50.840 57.382 24.775 1.00 0.00 SBOX ATOM 1673 O4' CYT A 59 50.765 59.267 25.705 1.00 0.00 SBOX O ATOM 1674 C1' CYT A 59 49.960 60.128 24.931 1.00 0.00 SBOX C ATOM 1675 H1' CYT A 59 48.951 60.087 25.340 1.00 0.00 SBOX ATOM 1676 N1 CYT A 59 50.380 61.542 24.966 1.00 0.00 SBOX N ATOM 1677 C6 CYT A 59 51.714 61.918 24.953 1.00 0.00 SBOX C ATOM 1678 H6 CYT A 59 52.597 61.298 24.912 1.00 0.00 SBOX ATOM 1679 C5 CYT A 59 52.008 63.261 25.072 1.00 0.00 SBOX C ATOM 1680 H5 CYT A 59 53.000 63.672 25.181 1.00 0.00 SBOX ATOM 1681 C4 CYT A 59 50.959 64.174 25.122 1.00 0.00 SBOX C ATOM 1682 N4 CYT A 59 51.190 65.430 25.400 1.00 0.00 SBOX N ATOM 1683 H41 CYT A 59 50.445 66.097 25.256 1.00 0.00 SBOX ATOM 1684 H42 CYT A 59 52.111 65.844 25.382 1.00 0.00 SBOX ATOM 1685 N3 CYT A 59 49.686 63.877 24.873 1.00 0.00 SBOX N ATOM 1686 C2 CYT A 59 49.449 62.563 24.739 1.00 0.00 SBOX C ATOM 1687 O2 CYT A 59 48.332 62.327 24.361 1.00 0.00 SBOX O ATOM 1688 C3' CYT A 59 51.333 58.954 23.479 1.00 0.00 SBOX C ATOM 1689 H3' CYT A 59 52.079 59.732 23.318 1.00 0.00 SBOX ATOM 1690 C2' CYT A 59 49.917 59.537 23.582 1.00 0.00 SBOX C ATOM 1691 H2'' CYT A 59 49.802 60.369 22.887 1.00 0.00 SBOX ATOM 1692 O2' CYT A 59 48.797 58.722 23.458 1.00 0.00 SBOX O ATOM 1693 H2' CYT A 59 48.015 59.221 23.210 1.00 0.00 SBOX ATOM 1694 O3' CYT A 59 51.408 57.936 22.425 1.00 0.00 SBOX O ATOM 1695 P CYT A 60 51.577 58.350 20.972 1.00 0.00 SBOX P ATOM 1696 O1P CYT A 60 52.788 59.134 20.948 1.00 0.00 SBOX ATOM 1697 O2P CYT A 60 51.552 57.135 20.171 1.00 0.00 SBOX ATOM 1698 O5' CYT A 60 50.305 59.191 20.608 1.00 0.00 SBOX O ATOM 1699 C5' CYT A 60 49.202 58.542 20.066 1.00 0.00 SBOX C ATOM 1700 H5' CYT A 60 48.725 58.059 20.919 1.00 0.00 SBOX ATOM 1701 H5'' CYT A 60 49.390 57.831 19.262 1.00 0.00 SBOX ATOM 1702 C4' CYT A 60 48.212 59.617 19.535 1.00 0.00 SBOX C ATOM 1703 H4' CYT A 60 47.244 59.266 19.178 1.00 0.00 SBOX ATOM 1704 O4' CYT A 60 47.963 60.647 20.527 1.00 0.00 SBOX O ATOM 1705 C1' CYT A 60 47.915 61.859 19.845 1.00 0.00 SBOX C ATOM 1706 H1' CYT A 60 46.908 62.253 19.980 1.00 0.00 SBOX ATOM 1707 N1 CYT A 60 48.813 62.904 20.464 1.00 0.00 SBOX N ATOM 1708 C6 CYT A 60 50.080 62.632 20.934 1.00 0.00 SBOX C ATOM 1709 H6 CYT A 60 50.560 61.671 20.824 1.00 0.00 SBOX ATOM 1710 C5 CYT A 60 50.822 63.585 21.502 1.00 0.00 SBOX C ATOM 1711 H5 CYT A 60 51.809 63.311 21.842 1.00 0.00 SBOX ATOM 1712 C4 CYT A 60 50.260 64.848 21.600 1.00 0.00 SBOX C ATOM 1713 N4 CYT A 60 50.905 65.739 22.216 1.00 0.00 SBOX N ATOM 1714 H41 CYT A 60 50.450 66.585 22.528 1.00 0.00 SBOX ATOM 1715 H42 CYT A 60 51.795 65.501 22.632 1.00 0.00 SBOX ATOM 1716 N3 CYT A 60 49.098 65.168 21.194 1.00 0.00 SBOX N ATOM 1717 C2 CYT A 60 48.358 64.177 20.614 1.00 0.00 SBOX C ATOM 1718 O2 CYT A 60 47.198 64.433 20.335 1.00 0.00 SBOX O ATOM 1719 C3' CYT A 60 48.924 60.255 18.357 1.00 0.00 SBOX C ATOM 1720 H3' CYT A 60 50.003 60.367 18.462 1.00 0.00 SBOX ATOM 1721 C2' CYT A 60 48.189 61.615 18.364 1.00 0.00 SBOX C ATOM 1722 H2'' CYT A 60 48.806 62.425 17.975 1.00 0.00 SBOX ATOM 1723 O2' CYT A 60 47.006 61.622 17.651 1.00 0.00 SBOX O ATOM 1724 H2' CYT A 60 47.192 61.333 16.755 1.00 0.00 SBOX ATOM 1725 O3' CYT A 60 48.662 59.505 17.190 1.00 0.00 SBOX O ATOM 1726 P ADE A 61 49.273 59.907 15.734 1.00 0.00 SBOX P ATOM 1727 O1P ADE A 61 48.594 61.110 15.208 1.00 0.00 SBOX ATOM 1728 O2P ADE A 61 50.712 59.835 15.852 1.00 0.00 SBOX ATOM 1729 O5' ADE A 61 48.817 58.666 14.891 1.00 0.00 SBOX O ATOM 1730 C5' ADE A 61 49.141 57.363 15.221 1.00 0.00 SBOX C ATOM 1731 H5' ADE A 61 48.711 57.128 16.195 1.00 0.00 SBOX ATOM 1732 H5'' ADE A 61 50.221 57.213 15.242 1.00 0.00 SBOX ATOM 1733 C4' ADE A 61 48.324 56.456 14.243 1.00 0.00 SBOX C ATOM 1734 H4' ADE A 61 47.378 56.949 14.020 1.00 0.00 SBOX ATOM 1735 O4' ADE A 61 49.124 56.629 13.016 1.00 0.00 SBOX O ATOM 1736 C1' ADE A 61 49.102 55.456 12.321 1.00 0.00 SBOX C ATOM 1737 H1' ADE A 61 48.618 55.670 11.368 1.00 0.00 SBOX ATOM 1738 N9 ADE A 61 50.523 55.090 12.216 1.00 0.00 SBOX N ATOM 1739 C8 ADE A 61 51.631 55.585 12.856 1.00 0.00 SBOX C ATOM 1740 H8 ADE A 61 51.564 56.341 13.624 1.00 0.00 SBOX ATOM 1741 N7 ADE A 61 52.763 54.962 12.519 1.00 0.00 SBOX N ATOM 1742 C5 ADE A 61 52.322 54.044 11.544 1.00 0.00 SBOX C ATOM 1743 C6 ADE A 61 52.891 52.978 10.767 1.00 0.00 SBOX C ATOM 1744 N6 ADE A 61 54.089 52.511 10.773 1.00 0.00 SBOX N ATOM 1745 H61 ADE A 61 54.201 51.696 10.187 1.00 0.00 SBOX ATOM 1746 H62 ADE A 61 54.772 52.860 11.431 1.00 0.00 SBOX ATOM 1747 N1 ADE A 61 52.168 52.304 9.901 1.00 0.00 SBOX N ATOM 1748 C2 ADE A 61 50.903 52.643 9.660 1.00 0.00 SBOX C ATOM 1749 H2 ADE A 61 50.453 51.974 8.941 1.00 0.00 SBOX ATOM 1750 N3 ADE A 61 50.176 53.558 10.350 1.00 0.00 SBOX N ATOM 1751 C4 ADE A 61 50.965 54.197 11.299 1.00 0.00 SBOX C ATOM 1752 C3' ADE A 61 48.199 55.021 14.504 1.00 0.00 SBOX C ATOM 1753 H3' ADE A 61 48.957 54.720 15.226 1.00 0.00 SBOX ATOM 1754 C2' ADE A 61 48.339 54.325 13.103 1.00 0.00 SBOX C ATOM 1755 H2'' ADE A 61 49.042 53.494 13.155 1.00 0.00 SBOX ATOM 1756 O2' ADE A 61 47.054 54.087 12.436 1.00 0.00 SBOX O ATOM 1757 H2' ADE A 61 46.392 54.371 13.071 1.00 0.00 SBOX ATOM 1758 O3' ADE A 61 46.960 54.816 15.049 1.00 0.00 SBOX O ATOM 1759 P ADE A 62 46.692 53.726 16.218 1.00 0.00 SBOX P ATOM 1760 O1P ADE A 62 47.689 53.849 17.278 1.00 0.00 SBOX ATOM 1761 O2P ADE A 62 45.306 53.725 16.577 1.00 0.00 SBOX ATOM 1762 O5' ADE A 62 46.865 52.399 15.261 1.00 0.00 SBOX O ATOM 1763 C5' ADE A 62 45.765 51.911 14.492 1.00 0.00 SBOX C ATOM 1764 H5' ADE A 62 45.401 52.677 13.808 1.00 0.00 SBOX ATOM 1765 H5'' ADE A 62 44.938 51.560 15.109 1.00 0.00 SBOX ATOM 1766 C4' ADE A 62 46.273 50.792 13.516 1.00 0.00 SBOX C ATOM 1767 H4' ADE A 62 45.471 50.572 12.811 1.00 0.00 SBOX ATOM 1768 O4' ADE A 62 47.339 51.315 12.772 1.00 0.00 SBOX O ATOM 1769 C1' ADE A 62 48.190 50.227 12.480 1.00 0.00 SBOX C ATOM 1770 H1' ADE A 62 48.231 50.132 11.395 1.00 0.00 SBOX ATOM 1771 N9 ADE A 62 49.459 50.574 13.014 1.00 0.00 SBOX N ATOM 1772 C8 ADE A 62 49.783 51.177 14.209 1.00 0.00 SBOX C ATOM 1773 H8 ADE A 62 49.044 51.643 14.843 1.00 0.00 SBOX ATOM 1774 N7 ADE A 62 51.058 51.256 14.383 1.00 0.00 SBOX N ATOM 1775 C5 ADE A 62 51.664 50.451 13.360 1.00 0.00 SBOX C ATOM 1776 C6 ADE A 62 52.947 50.040 12.918 1.00 0.00 SBOX C ATOM 1777 N6 ADE A 62 54.110 50.335 13.395 1.00 0.00 SBOX N ATOM 1778 H61 ADE A 62 54.858 49.905 12.870 1.00 0.00 SBOX ATOM 1779 H62 ADE A 62 54.143 50.745 14.317 1.00 0.00 SBOX ATOM 1780 N1 ADE A 62 53.088 49.209 11.868 1.00 0.00 SBOX N ATOM 1781 C2 ADE A 62 52.032 48.855 11.182 1.00 0.00 SBOX C ATOM 1782 H2 ADE A 62 52.239 48.250 10.311 1.00 0.00 SBOX ATOM 1783 N3 ADE A 62 50.788 49.246 11.400 1.00 0.00 SBOX N ATOM 1784 C4 ADE A 62 50.653 50.063 12.515 1.00 0.00 SBOX C ATOM 1785 C3' ADE A 62 46.745 49.473 14.127 1.00 0.00 SBOX C ATOM 1786 H3' ADE A 62 47.427 49.619 14.965 1.00 0.00 SBOX ATOM 1787 C2' ADE A 62 47.552 48.862 12.932 1.00 0.00 SBOX C ATOM 1788 H2'' ADE A 62 48.249 48.100 13.281 1.00 0.00 SBOX ATOM 1789 O2' ADE A 62 46.778 48.333 11.862 1.00 0.00 SBOX O ATOM 1790 H2' ADE A 62 47.211 47.513 11.616 1.00 0.00 SBOX ATOM 1791 O3' ADE A 62 45.552 48.751 14.542 1.00 0.00 SBOX O ATOM 1792 P URA A 63 45.677 47.434 15.417 1.00 0.00 SBOX P ATOM 1793 O1P URA A 63 44.324 46.849 15.370 1.00 0.00 SBOX ATOM 1794 O2P URA A 63 46.801 46.582 14.909 1.00 0.00 SBOX ATOM 1795 O5' URA A 63 46.073 47.973 16.850 1.00 0.00 SBOX O ATOM 1796 C5' URA A 63 45.132 48.697 17.646 1.00 0.00 SBOX C ATOM 1797 H5' URA A 63 44.141 48.505 17.236 1.00 0.00 SBOX ATOM 1798 H5'' URA A 63 45.448 49.739 17.583 1.00 0.00 SBOX ATOM 1799 C4' URA A 63 44.957 48.353 19.145 1.00 0.00 SBOX C ATOM 1800 H4' URA A 63 44.204 49.009 19.583 1.00 0.00 SBOX ATOM 1801 O4' URA A 63 44.446 46.986 19.259 1.00 0.00 SBOX O ATOM 1802 C1' URA A 63 45.462 46.208 19.793 1.00 0.00 SBOX C ATOM 1803 H1' URA A 63 45.368 46.073 20.870 1.00 0.00 SBOX ATOM 1804 N1 URA A 63 45.545 44.913 19.018 1.00 0.00 SBOX N ATOM 1805 C6 URA A 63 46.269 44.819 17.868 1.00 0.00 SBOX C ATOM 1806 H6 URA A 63 46.988 45.578 17.601 1.00 0.00 SBOX ATOM 1807 C5 URA A 63 46.034 43.850 16.923 1.00 0.00 SBOX C ATOM 1808 H5 URA A 63 46.627 43.850 16.021 1.00 0.00 SBOX ATOM 1809 C4 URA A 63 45.095 42.840 17.093 1.00 0.00 SBOX C ATOM 1810 O4 URA A 63 44.742 41.977 16.295 1.00 0.00 SBOX O ATOM 1811 N3 URA A 63 44.374 42.979 18.291 1.00 0.00 SBOX N ATOM 1812 H3 URA A 63 43.621 42.328 18.462 1.00 0.00 SBOX ATOM 1813 C2 URA A 63 44.491 43.968 19.211 1.00 0.00 SBOX C ATOM 1814 O2 URA A 63 43.831 43.900 20.279 1.00 0.00 SBOX O ATOM 1815 C3' URA A 63 46.105 48.449 20.044 1.00 0.00 SBOX C ATOM 1816 H3' URA A 63 46.856 49.204 19.809 1.00 0.00 SBOX ATOM 1817 C2' URA A 63 46.741 47.067 19.788 1.00 0.00 SBOX C ATOM 1818 H2'' URA A 63 47.195 47.173 18.803 1.00 0.00 SBOX ATOM 1819 O2' URA A 63 47.589 46.623 20.821 1.00 0.00 SBOX O ATOM 1820 H2' URA A 63 48.095 45.862 20.526 1.00 0.00 SBOX ATOM 1821 O3' URA A 63 45.637 48.545 21.361 1.00 0.00 SBOX O ATOM 1822 P URA A 64 46.146 49.678 22.238 1.00 0.00 SBOX P ATOM 1823 O1P URA A 64 45.955 50.949 21.436 1.00 0.00 SBOX ATOM 1824 O2P URA A 64 45.512 49.518 23.526 1.00 0.00 SBOX ATOM 1825 O5' URA A 64 47.630 49.346 22.491 1.00 0.00 SBOX O ATOM 1826 C5' URA A 64 48.638 50.299 22.097 1.00 0.00 SBOX C ATOM 1827 H5' URA A 64 48.580 51.142 22.787 1.00 0.00 SBOX ATOM 1828 H5'' URA A 64 48.434 50.526 21.051 1.00 0.00 SBOX ATOM 1829 C4' URA A 64 50.047 49.778 22.203 1.00 0.00 SBOX C ATOM 1830 H4' URA A 64 50.629 50.570 21.732 1.00 0.00 SBOX ATOM 1831 O4' URA A 64 50.361 49.407 23.566 1.00 0.00 SBOX O ATOM 1832 C1' URA A 64 51.413 48.422 23.511 1.00 0.00 SBOX C ATOM 1833 H1' URA A 64 52.386 48.898 23.637 1.00 0.00 SBOX ATOM 1834 N1 URA A 64 51.253 47.263 24.504 1.00 0.00 SBOX N ATOM 1835 C6 URA A 64 50.074 47.062 25.244 1.00 0.00 SBOX C ATOM 1836 H6 URA A 64 49.323 47.830 25.135 1.00 0.00 SBOX ATOM 1837 C5 URA A 64 49.988 46.118 26.224 1.00 0.00 SBOX C ATOM 1838 H5 URA A 64 49.078 45.879 26.753 1.00 0.00 SBOX ATOM 1839 C4 URA A 64 51.033 45.204 26.410 1.00 0.00 SBOX C ATOM 1840 O4 URA A 64 51.058 44.282 27.258 1.00 0.00 SBOX O ATOM 1841 N3 URA A 64 52.224 45.446 25.678 1.00 0.00 SBOX N ATOM 1842 H3 URA A 64 52.972 44.774 25.773 1.00 0.00 SBOX ATOM 1843 C2 URA A 64 52.366 46.491 24.767 1.00 0.00 SBOX C ATOM 1844 O2 URA A 64 53.492 46.711 24.342 1.00 0.00 SBOX O ATOM 1845 C3' URA A 64 50.327 48.556 21.381 1.00 0.00 SBOX C ATOM 1846 H3' URA A 64 49.536 47.870 21.685 1.00 0.00 SBOX ATOM 1847 C2' URA A 64 51.466 47.860 22.053 1.00 0.00 SBOX C ATOM 1848 H2'' URA A 64 51.246 46.794 22.111 1.00 0.00 SBOX ATOM 1849 O2' URA A 64 52.748 47.942 21.376 1.00 0.00 SBOX O ATOM 1850 H2' URA A 64 52.724 48.241 20.464 1.00 0.00 SBOX ATOM 1851 O3' URA A 64 50.306 48.764 19.937 1.00 0.00 SBOX O ATOM 1852 P CYT A 65 51.161 49.846 19.201 1.00 0.00 SBOX P ATOM 1853 O1P CYT A 65 50.603 51.194 19.515 1.00 0.00 SBOX ATOM 1854 O2P CYT A 65 52.614 49.591 19.377 1.00 0.00 SBOX ATOM 1855 O5' CYT A 65 50.907 49.476 17.787 1.00 0.00 SBOX O ATOM 1856 C5' CYT A 65 49.612 49.220 17.283 1.00 0.00 SBOX C ATOM 1857 H5' CYT A 65 49.249 50.134 16.812 1.00 0.00 SBOX ATOM 1858 H5'' CYT A 65 48.905 48.983 18.078 1.00 0.00 SBOX ATOM 1859 C4' CYT A 65 49.604 48.047 16.305 1.00 0.00 SBOX C ATOM 1860 H4' CYT A 65 48.602 47.778 15.970 1.00 0.00 SBOX ATOM 1861 O4' CYT A 65 50.371 48.407 15.182 1.00 0.00 SBOX O ATOM 1862 C1' CYT A 65 51.016 47.309 14.566 1.00 0.00 SBOX C ATOM 1863 H1' CYT A 65 50.493 47.240 13.612 1.00 0.00 SBOX ATOM 1864 N1 CYT A 65 52.516 47.330 14.658 1.00 0.00 SBOX N ATOM 1865 C6 CYT A 65 53.244 48.033 15.598 1.00 0.00 SBOX C ATOM 1866 H6 CYT A 65 52.769 48.727 16.275 1.00 0.00 SBOX ATOM 1867 C5 CYT A 65 54.615 47.966 15.706 1.00 0.00 SBOX C ATOM 1868 H5 CYT A 65 55.174 48.560 16.414 1.00 0.00 SBOX ATOM 1869 C4 CYT A 65 55.222 47.126 14.714 1.00 0.00 SBOX C ATOM 1870 N4 CYT A 65 56.512 47.098 14.675 1.00 0.00 SBOX N ATOM 1871 H41 CYT A 65 56.857 46.515 13.926 1.00 0.00 SBOX ATOM 1872 H42 CYT A 65 56.961 47.668 15.377 1.00 0.00 SBOX ATOM 1873 N3 CYT A 65 54.545 46.441 13.767 1.00 0.00 SBOX N ATOM 1874 C2 CYT A 65 53.231 46.573 13.721 1.00 0.00 SBOX C ATOM 1875 O2 CYT A 65 52.638 46.033 12.768 1.00 0.00 SBOX O ATOM 1876 C3' CYT A 65 50.287 46.761 16.742 1.00 0.00 SBOX C ATOM 1877 H3' CYT A 65 51.251 46.974 17.204 1.00 0.00 SBOX ATOM 1878 C2' CYT A 65 50.581 46.119 15.410 1.00 0.00 SBOX C ATOM 1879 H2'' CYT A 65 51.315 45.344 15.633 1.00 0.00 SBOX ATOM 1880 O2' CYT A 65 49.468 45.468 14.790 1.00 0.00 SBOX O ATOM 1881 H2' CYT A 65 48.678 45.925 15.088 1.00 0.00 SBOX ATOM 1882 O3' CYT A 65 49.539 46.031 17.703 1.00 0.00 SBOX O ATOM 1883 P CYT A 66 50.156 44.976 18.750 1.00 0.00 SBOX P ATOM 1884 O1P CYT A 66 51.391 45.488 19.259 1.00 0.00 SBOX ATOM 1885 O2P CYT A 66 49.061 44.675 19.686 1.00 0.00 SBOX ATOM 1886 O5' CYT A 66 50.459 43.720 17.818 1.00 0.00 SBOX O ATOM 1887 C5' CYT A 66 49.418 43.132 17.084 1.00 0.00 SBOX C ATOM 1888 H5' CYT A 66 48.847 43.910 16.576 1.00 0.00 SBOX ATOM 1889 H5'' CYT A 66 48.709 42.669 17.770 1.00 0.00 SBOX ATOM 1890 C4' CYT A 66 49.975 42.137 16.039 1.00 0.00 SBOX C ATOM 1891 H4' CYT A 66 49.113 41.738 15.505 1.00 0.00 SBOX ATOM 1892 O4' CYT A 66 50.871 42.757 15.057 1.00 0.00 SBOX O ATOM 1893 C1' CYT A 66 51.910 41.820 14.880 1.00 0.00 SBOX C ATOM 1894 H1' CYT A 66 52.042 41.580 13.825 1.00 0.00 SBOX ATOM 1895 N1 CYT A 66 53.223 42.455 15.319 1.00 0.00 SBOX N ATOM 1896 C6 CYT A 66 53.280 43.555 16.110 1.00 0.00 SBOX C ATOM 1897 H6 CYT A 66 52.387 44.013 16.508 1.00 0.00 SBOX ATOM 1898 C5 CYT A 66 54.488 44.081 16.499 1.00 0.00 SBOX C ATOM 1899 H5 CYT A 66 54.507 44.903 17.200 1.00 0.00 SBOX ATOM 1900 C4 CYT A 66 55.652 43.468 15.978 1.00 0.00 SBOX C ATOM 1901 N4 CYT A 66 56.833 43.969 16.150 1.00 0.00 SBOX N ATOM 1902 H41 CYT A 66 57.670 43.659 15.676 1.00 0.00 SBOX ATOM 1903 H42 CYT A 66 56.995 44.726 16.800 1.00 0.00 SBOX ATOM 1904 N3 CYT A 66 55.626 42.482 15.115 1.00 0.00 SBOX N ATOM 1905 C2 CYT A 66 54.432 41.938 14.830 1.00 0.00 SBOX C ATOM 1906 O2 CYT A 66 54.514 40.917 14.134 1.00 0.00 SBOX O ATOM 1907 C3' CYT A 66 50.684 41.043 16.813 1.00 0.00 SBOX C ATOM 1908 H3' CYT A 66 51.167 41.542 17.653 1.00 0.00 SBOX ATOM 1909 C2' CYT A 66 51.572 40.553 15.692 1.00 0.00 SBOX C ATOM 1910 H2'' CYT A 66 52.485 40.071 16.041 1.00 0.00 SBOX ATOM 1911 O2' CYT A 66 50.948 39.635 14.790 1.00 0.00 SBOX O ATOM 1912 H2' CYT A 66 50.206 39.206 15.223 1.00 0.00 SBOX ATOM 1913 O3' CYT A 66 49.673 40.127 17.254 1.00 0.00 SBOX O ATOM 1914 P URA A 67 49.959 39.263 18.547 1.00 0.00 SBOX P ATOM 1915 O1P URA A 67 50.107 40.225 19.705 1.00 0.00 SBOX ATOM 1916 O2P URA A 67 48.827 38.290 18.615 1.00 0.00 SBOX ATOM 1917 O5' URA A 67 51.358 38.505 18.237 1.00 0.00 SBOX O ATOM 1918 C5' URA A 67 51.479 37.411 17.385 1.00 0.00 SBOX C ATOM 1919 H5' URA A 67 51.063 37.686 16.416 1.00 0.00 SBOX ATOM 1920 H5'' URA A 67 50.970 36.565 17.847 1.00 0.00 SBOX ATOM 1921 C4' URA A 67 52.890 37.010 17.125 1.00 0.00 SBOX C ATOM 1922 H4' URA A 67 52.798 36.145 16.468 1.00 0.00 SBOX ATOM 1923 O4' URA A 67 53.669 38.135 16.489 1.00 0.00 SBOX O ATOM 1924 C1' URA A 67 54.969 38.264 17.086 1.00 0.00 SBOX C ATOM 1925 H1' URA A 67 55.709 38.142 16.295 1.00 0.00 SBOX ATOM 1926 N1 URA A 67 55.239 39.602 17.701 1.00 0.00 SBOX N ATOM 1927 C6 URA A 67 54.175 40.262 18.359 1.00 0.00 SBOX C ATOM 1928 H6 URA A 67 53.204 39.788 18.344 1.00 0.00 SBOX ATOM 1929 C5 URA A 67 54.393 41.448 18.997 1.00 0.00 SBOX C ATOM 1930 H5 URA A 67 53.599 41.961 19.520 1.00 0.00 SBOX ATOM 1931 C4 URA A 67 55.658 42.097 18.920 1.00 0.00 SBOX C ATOM 1932 O4 URA A 67 55.879 43.216 19.317 1.00 0.00 SBOX O ATOM 1933 N3 URA A 67 56.620 41.413 18.178 1.00 0.00 SBOX N ATOM 1934 H3 URA A 67 57.414 42.016 18.014 1.00 0.00 SBOX ATOM 1935 C2 URA A 67 56.560 40.157 17.597 1.00 0.00 SBOX C ATOM 1936 O2 URA A 67 57.430 39.772 16.828 1.00 0.00 SBOX O ATOM 1937 C3' URA A 67 53.646 36.511 18.307 1.00 0.00 SBOX C ATOM 1938 H3' URA A 67 53.242 37.026 19.179 1.00 0.00 SBOX ATOM 1939 C2' URA A 67 55.084 37.065 18.073 1.00 0.00 SBOX C ATOM 1940 H2'' URA A 67 55.494 37.448 19.007 1.00 0.00 SBOX ATOM 1941 O2' URA A 67 55.975 36.186 17.515 1.00 0.00 SBOX O ATOM 1942 H2' URA A 67 56.052 35.454 18.132 1.00 0.00 SBOX ATOM 1943 O3' URA A 67 53.598 35.128 18.370 1.00 0.00 SBOX O ATOM 1944 P GUA A 68 54.197 34.187 19.534 1.00 0.00 SBOX P ATOM 1945 O1P GUA A 68 53.593 34.658 20.762 1.00 0.00 SBOX ATOM 1946 O2P GUA A 68 53.977 32.771 19.156 1.00 0.00 SBOX ATOM 1947 O5' GUA A 68 55.802 34.423 19.683 1.00 0.00 SBOX O ATOM 1948 C5' GUA A 68 56.837 33.478 19.532 1.00 0.00 SBOX C ATOM 1949 H5' GUA A 68 56.771 33.092 18.515 1.00 0.00 SBOX ATOM 1950 H5'' GUA A 68 56.792 32.644 20.233 1.00 0.00 SBOX ATOM 1951 C4' GUA A 68 58.281 33.914 19.555 1.00 0.00 SBOX C ATOM 1952 H4' GUA A 68 58.906 33.151 19.092 1.00 0.00 SBOX ATOM 1953 O4' GUA A 68 58.689 35.053 18.830 1.00 0.00 SBOX O ATOM 1954 C1' GUA A 68 59.529 35.881 19.637 1.00 0.00 SBOX C ATOM 1955 H1' GUA A 68 60.491 36.184 19.224 1.00 0.00 SBOX ATOM 1956 N9 GUA A 68 58.822 37.079 20.090 1.00 0.00 SBOX N ATOM 1957 C8 GUA A 68 57.662 37.281 20.564 1.00 0.00 SBOX C ATOM 1958 H8 GUA A 68 56.935 36.493 20.691 1.00 0.00 SBOX ATOM 1959 N7 GUA A 68 57.287 38.531 20.846 1.00 0.00 SBOX N ATOM 1960 C5 GUA A 68 58.515 39.162 20.545 1.00 0.00 SBOX C ATOM 1961 C6 GUA A 68 58.901 40.610 20.654 1.00 0.00 SBOX C ATOM 1962 O6 GUA A 68 58.232 41.560 20.967 1.00 0.00 SBOX O ATOM 1963 N1 GUA A 68 60.226 40.812 20.547 1.00 0.00 SBOX N ATOM 1964 H1 GUA A 68 60.699 41.619 20.928 1.00 0.00 SBOX ATOM 1965 C2 GUA A 68 61.107 39.787 20.228 1.00 0.00 SBOX C ATOM 1966 N2 GUA A 68 62.280 40.206 20.091 1.00 0.00 SBOX N ATOM 1967 H21 GUA A 68 62.513 41.154 20.350 1.00 0.00 SBOX ATOM 1968 H22 GUA A 68 62.979 39.629 19.646 1.00 0.00 SBOX ATOM 1969 N3 GUA A 68 60.812 38.496 19.971 1.00 0.00 SBOX N ATOM 1970 C4 GUA A 68 59.514 38.262 20.192 1.00 0.00 SBOX C ATOM 1971 C3' GUA A 68 58.848 34.030 21.002 1.00 0.00 SBOX C ATOM 1972 H3' GUA A 68 58.017 34.462 21.559 1.00 0.00 SBOX ATOM 1973 C2' GUA A 68 60.028 34.984 20.775 1.00 0.00 SBOX C ATOM 1974 H2'' GUA A 68 60.129 35.571 21.688 1.00 0.00 SBOX ATOM 1975 O2' GUA A 68 61.235 34.404 20.263 1.00 0.00 SBOX O ATOM 1976 H2' GUA A 68 61.077 33.459 20.314 1.00 0.00 SBOX ATOM 1977 O3' GUA A 68 59.200 32.835 21.700 1.00 0.00 SBOX O ATOM 1978 P CYT A 69 59.709 31.485 21.090 1.00 0.00 SBOX P ATOM 1979 O1P CYT A 69 58.738 31.045 20.042 1.00 0.00 SBOX ATOM 1980 O2P CYT A 69 61.111 31.779 20.702 1.00 0.00 SBOX ATOM 1981 O5' CYT A 69 59.657 30.405 22.258 1.00 0.00 SBOX O ATOM 1982 C5' CYT A 69 60.500 30.334 23.343 1.00 0.00 SBOX C ATOM 1983 H5' CYT A 69 61.273 31.103 23.360 1.00 0.00 SBOX ATOM 1984 H5'' CYT A 69 61.106 29.430 23.279 1.00 0.00 SBOX ATOM 1985 C4' CYT A 69 59.757 30.400 24.659 1.00 0.00 SBOX C ATOM 1986 H4' CYT A 69 60.518 30.527 25.429 1.00 0.00 SBOX ATOM 1987 O4' CYT A 69 59.048 31.607 24.773 1.00 0.00 SBOX O ATOM 1988 C1' CYT A 69 57.929 31.521 25.658 1.00 0.00 SBOX C ATOM 1989 H1' CYT A 69 58.075 32.117 26.559 1.00 0.00 SBOX ATOM 1990 N1 CYT A 69 56.656 31.777 24.997 1.00 0.00 SBOX N ATOM 1991 C6 CYT A 69 56.599 31.863 23.576 1.00 0.00 SBOX C ATOM 1992 H6 CYT A 69 57.433 31.715 22.907 1.00 0.00 SBOX ATOM 1993 C5 CYT A 69 55.424 32.331 23.010 1.00 0.00 SBOX C ATOM 1994 H5 CYT A 69 55.289 32.416 21.942 1.00 0.00 SBOX ATOM 1995 C4 CYT A 69 54.340 32.753 23.844 1.00 0.00 SBOX C ATOM 1996 N4 CYT A 69 53.233 33.232 23.277 1.00 0.00 SBOX N ATOM 1997 H41 CYT A 69 52.488 33.542 23.883 1.00 0.00 SBOX ATOM 1998 H42 CYT A 69 53.403 33.571 22.341 1.00 0.00 SBOX ATOM 1999 N3 CYT A 69 54.328 32.660 25.137 1.00 0.00 SBOX N ATOM 2000 C2 CYT A 69 55.464 32.146 25.664 1.00 0.00 SBOX C ATOM 2001 O2 CYT A 69 55.455 32.002 26.880 1.00 0.00 SBOX O ATOM 2002 C3' CYT A 69 58.661 29.361 24.960 1.00 0.00 SBOX C ATOM 2003 H3' CYT A 69 58.098 29.299 24.029 1.00 0.00 SBOX ATOM 2004 C2' CYT A 69 57.900 30.032 26.117 1.00 0.00 SBOX C ATOM 2005 H2'' CYT A 69 56.848 29.749 26.144 1.00 0.00 SBOX ATOM 2006 O2' CYT A 69 58.446 29.799 27.412 1.00 0.00 SBOX O ATOM 2007 H2' CYT A 69 57.808 30.034 28.090 1.00 0.00 SBOX ATOM 2008 O3' CYT A 69 59.165 28.061 25.212 1.00 0.00 SBOX O ATOM 2009 P ADE A 70 58.475 26.788 24.756 1.00 0.00 SBOX P ATOM 2010 O1P ADE A 70 58.057 26.925 23.360 1.00 0.00 SBOX ATOM 2011 O2P ADE A 70 59.391 25.723 25.008 1.00 0.00 SBOX ATOM 2012 O5' ADE A 70 57.201 26.531 25.688 1.00 0.00 SBOX O ATOM 2013 C5' ADE A 70 57.352 26.110 27.063 1.00 0.00 SBOX C ATOM 2014 H5' ADE A 70 58.149 26.625 27.600 1.00 0.00 SBOX ATOM 2015 H5'' ADE A 70 57.532 25.035 27.050 1.00 0.00 SBOX ATOM 2016 C4' ADE A 70 55.956 26.418 27.754 1.00 0.00 SBOX C ATOM 2017 H4' ADE A 70 56.073 25.868 28.687 1.00 0.00 SBOX ATOM 2018 O4' ADE A 70 55.618 27.799 27.939 1.00 0.00 SBOX O ATOM 2019 C1' ADE A 70 54.200 27.933 27.758 1.00 0.00 SBOX C ATOM 2020 H1' ADE A 70 53.653 28.453 28.545 1.00 0.00 SBOX ATOM 2021 N9 ADE A 70 53.903 28.714 26.550 1.00 0.00 SBOX N ATOM 2022 C8 ADE A 70 54.668 28.918 25.414 1.00 0.00 SBOX C ATOM 2023 H8 ADE A 70 55.626 28.447 25.253 1.00 0.00 SBOX ATOM 2024 N7 ADE A 70 53.976 29.448 24.404 1.00 0.00 SBOX N ATOM 2025 C5 ADE A 70 52.711 29.751 24.922 1.00 0.00 SBOX C ATOM 2026 C6 ADE A 70 51.475 30.239 24.505 1.00 0.00 SBOX C ATOM 2027 N6 ADE A 70 51.214 30.832 23.322 1.00 0.00 SBOX N ATOM 2028 H61 ADE A 70 50.281 31.198 23.205 1.00 0.00 SBOX ATOM 2029 H62 ADE A 70 51.993 30.951 22.690 1.00 0.00 SBOX ATOM 2030 N1 ADE A 70 50.429 30.401 25.321 1.00 0.00 SBOX N ATOM 2031 C2 ADE A 70 50.564 29.914 26.537 1.00 0.00 SBOX C ATOM 2032 H2 ADE A 70 49.757 29.987 27.250 1.00 0.00 SBOX ATOM 2033 N3 ADE A 70 51.643 29.446 27.096 1.00 0.00 SBOX N ATOM 2034 C4 ADE A 70 52.682 29.386 26.265 1.00 0.00 SBOX C ATOM 2035 C3' ADE A 70 54.756 25.757 27.060 1.00 0.00 SBOX C ATOM 2036 H3' ADE A 70 54.719 26.043 26.009 1.00 0.00 SBOX ATOM 2037 C2' ADE A 70 53.605 26.556 27.757 1.00 0.00 SBOX C ATOM 2038 H2'' ADE A 70 52.698 26.555 27.152 1.00 0.00 SBOX ATOM 2039 O2' ADE A 70 53.356 26.288 29.168 1.00 0.00 SBOX O ATOM 2040 H2' ADE A 70 52.462 25.942 29.212 1.00 0.00 SBOX ATOM 2041 O3' ADE A 70 54.778 24.336 27.233 1.00 0.00 SBOX O ATOM 2042 P GUA A 71 53.848 23.533 26.300 1.00 0.00 SBOX P ATOM 2043 O1P GUA A 71 54.042 23.997 24.960 1.00 0.00 SBOX ATOM 2044 O2P GUA A 71 54.106 22.075 26.718 1.00 0.00 SBOX ATOM 2045 O5' GUA A 71 52.399 23.992 26.803 1.00 0.00 SBOX O ATOM 2046 C5' GUA A 71 51.858 23.523 28.011 1.00 0.00 SBOX C ATOM 2047 H5' GUA A 71 52.546 23.586 28.854 1.00 0.00 SBOX ATOM 2048 H5'' GUA A 71 51.795 22.435 27.979 1.00 0.00 SBOX ATOM 2049 C4' GUA A 71 50.482 24.136 28.225 1.00 0.00 SBOX C ATOM 2050 H4' GUA A 71 50.223 23.788 29.224 1.00 0.00 SBOX ATOM 2051 O4' GUA A 71 50.411 25.522 28.149 1.00 0.00 SBOX O ATOM 2052 C1' GUA A 71 49.197 25.877 27.578 1.00 0.00 SBOX C ATOM 2053 H1' GUA A 71 48.727 26.555 28.291 1.00 0.00 SBOX ATOM 2054 N9 GUA A 71 49.393 26.517 26.229 1.00 0.00 SBOX N ATOM 2055 C8 GUA A 71 50.462 26.420 25.452 1.00 0.00 SBOX C ATOM 2056 H8 GUA A 71 51.345 25.905 25.802 1.00 0.00 SBOX ATOM 2057 N7 GUA A 71 50.281 26.941 24.226 1.00 0.00 SBOX N ATOM 2058 C5 GUA A 71 48.901 27.448 24.265 1.00 0.00 SBOX C ATOM 2059 C6 GUA A 71 48.041 28.149 23.362 1.00 0.00 SBOX C ATOM 2060 O6 GUA A 71 48.192 28.548 22.198 1.00 0.00 SBOX O ATOM 2061 N1 GUA A 71 46.703 28.349 23.803 1.00 0.00 SBOX N ATOM 2062 H1 GUA A 71 46.110 28.797 23.119 1.00 0.00 SBOX ATOM 2063 C2 GUA A 71 46.374 28.317 25.143 1.00 0.00 SBOX C ATOM 2064 N2 GUA A 71 45.136 28.607 25.468 1.00 0.00 SBOX N ATOM 2065 H21 GUA A 71 44.449 28.827 24.762 1.00 0.00 SBOX ATOM 2066 H22 GUA A 71 44.885 28.363 26.416 1.00 0.00 SBOX ATOM 2067 N3 GUA A 71 47.203 27.629 26.038 1.00 0.00 SBOX N ATOM 2068 C4 GUA A 71 48.397 27.189 25.542 1.00 0.00 SBOX C ATOM 2069 C3' GUA A 71 49.504 23.517 27.234 1.00 0.00 SBOX C ATOM 2070 H3' GUA A 71 49.859 23.726 26.225 1.00 0.00 SBOX ATOM 2071 C2' GUA A 71 48.351 24.502 27.619 1.00 0.00 SBOX C ATOM 2072 H2'' GUA A 71 47.693 24.509 26.750 1.00 0.00 SBOX ATOM 2073 O2' GUA A 71 47.657 24.368 28.841 1.00 0.00 SBOX O ATOM 2074 H2' GUA A 71 47.015 25.080 28.891 1.00 0.00 SBOX ATOM 2075 O3' GUA A 71 49.276 22.152 27.457 1.00 0.00 SBOX O ATOM 2076 P CYT A 72 48.930 21.118 26.305 1.00 0.00 SBOX P ATOM 2077 O1P CYT A 72 50.043 21.141 25.286 1.00 0.00 SBOX ATOM 2078 O2P CYT A 72 48.624 19.818 27.003 1.00 0.00 SBOX ATOM 2079 O5' CYT A 72 47.547 21.639 25.691 1.00 0.00 SBOX O ATOM 2080 C5' CYT A 72 46.333 21.478 26.382 1.00 0.00 SBOX C ATOM 2081 H5' CYT A 72 46.559 21.820 27.392 1.00 0.00 SBOX ATOM 2082 H5'' CYT A 72 46.055 20.438 26.552 1.00 0.00 SBOX ATOM 2083 C4' CYT A 72 45.207 22.157 25.707 1.00 0.00 SBOX C ATOM 2084 H4' CYT A 72 44.350 22.073 26.375 1.00 0.00 SBOX ATOM 2085 O4' CYT A 72 45.485 23.529 25.568 1.00 0.00 SBOX O ATOM 2086 C1' CYT A 72 44.841 24.027 24.406 1.00 0.00 SBOX C ATOM 2087 H1' CYT A 72 44.156 24.839 24.653 1.00 0.00 SBOX ATOM 2088 N1 CYT A 72 45.887 24.477 23.469 1.00 0.00 SBOX N ATOM 2089 C6 CYT A 72 47.181 23.953 23.305 1.00 0.00 SBOX C ATOM 2090 H6 CYT A 72 47.576 23.182 23.950 1.00 0.00 SBOX ATOM 2091 C5 CYT A 72 48.000 24.432 22.328 1.00 0.00 SBOX C ATOM 2092 H5 CYT A 72 49.005 24.050 22.222 1.00 0.00 SBOX ATOM 2093 C4 CYT A 72 47.466 25.454 21.548 1.00 0.00 SBOX C ATOM 2094 N4 CYT A 72 48.311 25.853 20.638 1.00 0.00 SBOX N ATOM 2095 H41 CYT A 72 47.988 26.530 19.961 1.00 0.00 SBOX ATOM 2096 H42 CYT A 72 48.936 25.102 20.385 1.00 0.00 SBOX ATOM 2097 N3 CYT A 72 46.350 26.043 21.680 1.00 0.00 SBOX N ATOM 2098 C2 CYT A 72 45.470 25.502 22.625 1.00 0.00 SBOX C ATOM 2099 O2 CYT A 72 44.351 25.997 22.605 1.00 0.00 SBOX O ATOM 2100 C3' CYT A 72 44.774 21.712 24.360 1.00 0.00 SBOX C ATOM 2101 H3' CYT A 72 45.678 21.505 23.786 1.00 0.00 SBOX ATOM 2102 C2' CYT A 72 43.958 22.919 23.793 1.00 0.00 SBOX C ATOM 2103 H2'' CYT A 72 44.035 23.024 22.711 1.00 0.00 SBOX ATOM 2104 O2' CYT A 72 42.621 23.066 24.267 1.00 0.00 SBOX O ATOM 2105 H2' CYT A 72 42.013 23.484 23.651 1.00 0.00 SBOX ATOM 2106 O3' CYT A 72 44.014 20.458 24.413 1.00 0.00 SBOX O ATOM 2107 P GUA A 73 43.839 19.583 23.185 1.00 0.00 SBOX P ATOM 2108 O1P GUA A 73 45.189 19.249 22.635 1.00 0.00 SBOX ATOM 2109 O2P GUA A 73 42.892 18.501 23.666 1.00 0.00 SBOX ATOM 2110 O5' GUA A 73 43.121 20.611 22.214 1.00 0.00 SBOX O ATOM 2111 C5' GUA A 73 41.728 20.713 22.262 1.00 0.00 SBOX C ATOM 2112 H5' GUA A 73 41.587 21.003 23.303 1.00 0.00 SBOX ATOM 2113 H5'' GUA A 73 41.045 19.865 22.216 1.00 0.00 SBOX ATOM 2114 C4' GUA A 73 41.252 21.637 21.166 1.00 0.00 SBOX C ATOM 2115 H4' GUA A 73 40.172 21.768 21.238 1.00 0.00 SBOX ATOM 2116 O4' GUA A 73 41.844 22.915 21.116 1.00 0.00 SBOX O ATOM 2117 C1' GUA A 73 42.150 23.284 19.739 1.00 0.00 SBOX C ATOM 2118 H1' GUA A 73 41.723 24.281 19.630 1.00 0.00 SBOX ATOM 2119 N9 GUA A 73 43.584 23.355 19.376 1.00 0.00 SBOX N ATOM 2120 C8 GUA A 73 44.684 22.878 19.969 1.00 0.00 SBOX C ATOM 2121 H8 GUA A 73 44.680 22.150 20.768 1.00 0.00 SBOX ATOM 2122 N7 GUA A 73 45.820 23.355 19.445 1.00 0.00 SBOX N ATOM 2123 C5 GUA A 73 45.402 24.252 18.493 1.00 0.00 SBOX C ATOM 2124 C6 GUA A 73 46.122 25.130 17.631 1.00 0.00 SBOX C ATOM 2125 O6 GUA A 73 47.303 25.300 17.381 1.00 0.00 SBOX O ATOM 2126 N1 GUA A 73 45.240 25.833 16.809 1.00 0.00 SBOX N ATOM 2127 H1 GUA A 73 45.676 26.347 16.057 1.00 0.00 SBOX ATOM 2128 C2 GUA A 73 44.000 25.503 16.643 1.00 0.00 SBOX C ATOM 2129 N2 GUA A 73 43.486 26.312 15.812 1.00 0.00 SBOX N ATOM 2130 H21 GUA A 73 44.017 26.774 15.088 1.00 0.00 SBOX ATOM 2131 H22 GUA A 73 42.482 26.206 15.786 1.00 0.00 SBOX ATOM 2132 N3 GUA A 73 43.262 24.816 17.471 1.00 0.00 SBOX N ATOM 2133 C4 GUA A 73 44.055 24.198 18.395 1.00 0.00 SBOX C ATOM 2134 C3' GUA A 73 41.599 21.023 19.803 1.00 0.00 SBOX C ATOM 2135 H3' GUA A 73 42.649 20.737 19.737 1.00 0.00 SBOX ATOM 2136 C2' GUA A 73 41.444 22.275 18.862 1.00 0.00 SBOX C ATOM 2137 H2'' GUA A 73 41.981 22.054 17.939 1.00 0.00 SBOX ATOM 2138 O2' GUA A 73 40.125 22.597 18.600 1.00 0.00 SBOX O ATOM 2139 H2' GUA A 73 40.091 23.456 18.173 1.00 0.00 SBOX ATOM 2140 O3' GUA A 73 40.722 19.993 19.358 1.00 0.00 SBOX O ATOM 2141 P GUA A 74 41.189 18.599 18.864 1.00 0.00 SBOX P ATOM 2142 O1P GUA A 74 42.202 18.127 19.829 1.00 0.00 SBOX ATOM 2143 O2P GUA A 74 40.004 17.763 18.552 1.00 0.00 SBOX ATOM 2144 O5' GUA A 74 41.869 18.889 17.375 1.00 0.00 SBOX O ATOM 2145 C5' GUA A 74 43.153 19.454 17.283 1.00 0.00 SBOX C ATOM 2146 H5' GUA A 74 43.935 18.744 17.551 1.00 0.00 SBOX ATOM 2147 H5'' GUA A 74 43.202 20.253 18.022 1.00 0.00 SBOX ATOM 2148 C4' GUA A 74 43.397 20.040 15.903 1.00 0.00 SBOX C ATOM 2149 H4' GUA A 74 42.459 19.994 15.349 1.00 0.00 SBOX ATOM 2150 O4' GUA A 74 43.891 21.302 15.988 1.00 0.00 SBOX O ATOM 2151 C1' GUA A 74 44.708 21.568 14.884 1.00 0.00 SBOX C ATOM 2152 H1' GUA A 74 44.270 22.328 14.238 1.00 0.00 SBOX ATOM 2153 N9 GUA A 74 46.005 22.075 15.376 1.00 0.00 SBOX N ATOM 2154 C8 GUA A 74 46.692 21.610 16.515 1.00 0.00 SBOX C ATOM 2155 H8 GUA A 74 46.082 21.138 17.271 1.00 0.00 SBOX ATOM 2156 N7 GUA A 74 47.865 22.038 16.801 1.00 0.00 SBOX N ATOM 2157 C5 GUA A 74 48.081 22.850 15.661 1.00 0.00 SBOX C ATOM 2158 C6 GUA A 74 49.274 23.429 15.150 1.00 0.00 SBOX C ATOM 2159 O6 GUA A 74 50.364 23.530 15.771 1.00 0.00 SBOX O ATOM 2160 N1 GUA A 74 49.279 23.858 13.859 1.00 0.00 SBOX N ATOM 2161 H1 GUA A 74 50.170 24.183 13.512 1.00 0.00 SBOX ATOM 2162 C2 GUA A 74 48.134 23.948 13.183 1.00 0.00 SBOX C ATOM 2163 N2 GUA A 74 48.193 24.507 12.011 1.00 0.00 SBOX N ATOM 2164 H21 GUA A 74 48.980 25.136 11.935 1.00 0.00 SBOX ATOM 2165 H22 GUA A 74 47.306 24.741 11.590 1.00 0.00 SBOX ATOM 2166 N3 GUA A 74 46.950 23.488 13.659 1.00 0.00 SBOX N ATOM 2167 C4 GUA A 74 46.965 22.856 14.829 1.00 0.00 SBOX C ATOM 2168 C3' GUA A 74 44.423 19.228 15.072 1.00 0.00 SBOX C ATOM 2169 H3' GUA A 74 45.243 18.931 15.725 1.00 0.00 SBOX ATOM 2170 C2' GUA A 74 44.851 20.281 14.072 1.00 0.00 SBOX C ATOM 2171 H2'' GUA A 74 45.861 20.019 13.756 1.00 0.00 SBOX ATOM 2172 O2' GUA A 74 44.213 20.197 12.834 1.00 0.00 SBOX O ATOM 2173 H2' GUA A 74 44.849 20.458 12.164 1.00 0.00 SBOX ATOM 2174 O3' GUA A 74 43.729 18.045 14.609 1.00 0.00 SBOX O ATOM 2175 P ADE A 75 44.657 16.845 14.180 1.00 0.00 SBOX P ATOM 2176 O1P ADE A 75 45.349 16.250 15.359 1.00 0.00 SBOX ATOM 2177 O2P ADE A 75 43.754 16.031 13.377 1.00 0.00 SBOX ATOM 2178 O5' ADE A 75 45.813 17.365 13.264 1.00 0.00 SBOX O ATOM 2179 C5' ADE A 75 47.129 16.681 13.173 1.00 0.00 SBOX C ATOM 2180 H5' ADE A 75 47.003 15.636 13.456 1.00 0.00 SBOX ATOM 2181 H5'' ADE A 75 47.816 17.041 13.938 1.00 0.00 SBOX ATOM 2182 C4' ADE A 75 47.654 16.800 11.734 1.00 0.00 SBOX C ATOM 2183 H4' ADE A 75 48.558 16.204 11.617 1.00 0.00 SBOX ATOM 2184 O4' ADE A 75 46.803 16.424 10.674 1.00 0.00 SBOX O ATOM 2185 C1' ADE A 75 46.826 17.382 9.580 1.00 0.00 SBOX C ATOM 2186 H1' ADE A 75 47.144 17.044 8.594 1.00 0.00 SBOX ATOM 2187 N9 ADE A 75 45.600 18.203 9.526 1.00 0.00 SBOX N ATOM 2188 C8 ADE A 75 44.595 18.443 10.443 1.00 0.00 SBOX C ATOM 2189 H8 ADE A 75 44.767 18.006 11.415 1.00 0.00 SBOX ATOM 2190 N7 ADE A 75 43.577 18.964 9.948 1.00 0.00 SBOX N ATOM 2191 C5 ADE A 75 43.960 19.216 8.597 1.00 0.00 SBOX C ATOM 2192 C6 ADE A 75 43.379 19.927 7.486 1.00 0.00 SBOX C ATOM 2193 N6 ADE A 75 42.104 20.095 7.367 1.00 0.00 SBOX N ATOM 2194 H61 ADE A 75 41.788 20.565 6.531 1.00 0.00 SBOX ATOM 2195 H62 ADE A 75 41.535 19.835 8.160 1.00 0.00 SBOX ATOM 2196 N1 ADE A 75 44.054 20.183 6.353 1.00 0.00 SBOX N ATOM 2197 C2 ADE A 75 45.341 19.739 6.344 1.00 0.00 SBOX C ATOM 2198 H2 ADE A 75 45.741 19.880 5.351 1.00 0.00 SBOX ATOM 2199 N3 ADE A 75 45.998 19.095 7.296 1.00 0.00 SBOX N ATOM 2200 C4 ADE A 75 45.214 18.898 8.397 1.00 0.00 SBOX C ATOM 2201 C3' ADE A 75 48.123 18.235 11.452 1.00 0.00 SBOX C ATOM 2202 H3' ADE A 75 47.543 18.964 12.017 1.00 0.00 SBOX ATOM 2203 C2' ADE A 75 48.004 18.294 9.886 1.00 0.00 SBOX C ATOM 2204 H2'' ADE A 75 47.836 19.333 9.603 1.00 0.00 SBOX ATOM 2205 O2' ADE A 75 49.161 17.729 9.236 1.00 0.00 SBOX O ATOM 2206 H2' ADE A 75 49.498 17.045 9.819 1.00 0.00 SBOX ATOM 2207 O3' ADE A 75 49.428 18.324 11.946 1.00 0.00 SBOX O ATOM 2208 P ADE A 76 50.044 19.644 12.791 1.00 0.00 SBOX P ATOM 2209 O1P ADE A 76 49.069 20.029 13.888 1.00 0.00 SBOX ATOM 2210 O2P ADE A 76 51.462 19.491 13.099 1.00 0.00 SBOX ATOM 2211 O5' ADE A 76 49.954 20.728 11.647 1.00 0.00 SBOX O ATOM 2212 C5' ADE A 76 50.962 20.802 10.599 1.00 0.00 SBOX C ATOM 2213 H5' ADE A 76 51.172 19.790 10.252 1.00 0.00 SBOX ATOM 2214 H5'' ADE A 76 51.938 21.138 10.948 1.00 0.00 SBOX ATOM 2215 C4' ADE A 76 50.507 21.704 9.430 1.00 0.00 SBOX C ATOM 2216 H4' ADE A 76 51.356 21.714 8.746 1.00 0.00 SBOX ATOM 2217 O4' ADE A 76 49.429 21.148 8.762 1.00 0.00 SBOX O ATOM 2218 C1' ADE A 76 48.619 22.231 8.360 1.00 0.00 SBOX C ATOM 2219 H1' ADE A 76 48.402 22.131 7.296 1.00 0.00 SBOX ATOM 2220 N9 ADE A 76 47.306 22.178 9.150 1.00 0.00 SBOX N ATOM 2221 C8 ADE A 76 47.058 21.738 10.391 1.00 0.00 SBOX C ATOM 2222 H8 ADE A 76 47.784 21.385 11.108 1.00 0.00 SBOX ATOM 2223 N7 ADE A 76 45.816 21.809 10.680 1.00 0.00 SBOX N ATOM 2224 C5 ADE A 76 45.185 22.270 9.554 1.00 0.00 SBOX C ATOM 2225 C6 ADE A 76 43.874 22.624 9.219 1.00 0.00 SBOX C ATOM 2226 N6 ADE A 76 42.834 22.352 9.879 1.00 0.00 SBOX N ATOM 2227 H61 ADE A 76 42.036 22.793 9.444 1.00 0.00 SBOX ATOM 2228 H62 ADE A 76 42.811 21.849 10.754 1.00 0.00 SBOX ATOM 2229 N1 ADE A 76 43.619 23.296 8.095 1.00 0.00 SBOX N ATOM 2230 C2 ADE A 76 44.570 23.439 7.269 1.00 0.00 SBOX C ATOM 2231 H2 ADE A 76 44.294 23.839 6.304 1.00 0.00 SBOX ATOM 2232 N3 ADE A 76 45.883 23.211 7.443 1.00 0.00 SBOX N ATOM 2233 C4 ADE A 76 46.108 22.631 8.677 1.00 0.00 SBOX C ATOM 2234 C3' ADE A 76 50.267 23.236 9.760 1.00 0.00 SBOX C ATOM 2235 H3' ADE A 76 49.718 23.219 10.701 1.00 0.00 SBOX ATOM 2236 C2' ADE A 76 49.396 23.556 8.578 1.00 0.00 SBOX C ATOM 2237 H2'' ADE A 76 48.674 24.353 8.755 1.00 0.00 SBOX ATOM 2238 O2' ADE A 76 50.172 23.825 7.418 1.00 0.00 SBOX O ATOM 2239 H2' ADE A 76 51.085 23.871 7.712 1.00 0.00 SBOX ATOM 2240 O3' ADE A 76 51.438 24.078 10.018 1.00 0.00 SBOX O ATOM 2241 P ADE A 77 51.315 25.602 10.478 1.00 0.00 SBOX P ATOM 2242 O1P ADE A 77 50.691 25.578 11.832 1.00 0.00 SBOX ATOM 2243 O2P ADE A 77 52.642 26.164 10.383 1.00 0.00 SBOX ATOM 2244 O5' ADE A 77 50.303 26.448 9.625 1.00 0.00 SBOX O ATOM 2245 C5' ADE A 77 50.733 27.129 8.511 1.00 0.00 SBOX C ATOM 2246 H5' ADE A 77 51.365 26.446 7.944 1.00 0.00 SBOX ATOM 2247 H5'' ADE A 77 51.487 27.875 8.763 1.00 0.00 SBOX ATOM 2248 C4' ADE A 77 49.571 27.699 7.577 1.00 0.00 SBOX C ATOM 2249 H4' ADE A 77 50.066 28.178 6.732 1.00 0.00 SBOX ATOM 2250 O4' ADE A 77 48.536 26.811 7.224 1.00 0.00 SBOX O ATOM 2251 C1' ADE A 77 47.269 27.363 7.304 1.00 0.00 SBOX C ATOM 2252 H1' ADE A 77 46.679 27.210 6.401 1.00 0.00 SBOX ATOM 2253 N9 ADE A 77 46.544 26.670 8.398 1.00 0.00 SBOX N ATOM 2254 C8 ADE A 77 47.018 26.045 9.517 1.00 0.00 SBOX C ATOM 2255 H8 ADE A 77 48.072 26.020 9.752 1.00 0.00 SBOX ATOM 2256 N7 ADE A 77 46.069 25.706 10.336 1.00 0.00 SBOX N ATOM 2257 C5 ADE A 77 44.899 25.967 9.654 1.00 0.00 SBOX C ATOM 2258 C6 ADE A 77 43.525 25.953 9.974 1.00 0.00 SBOX C ATOM 2259 N6 ADE A 77 42.939 25.480 11.033 1.00 0.00 SBOX N ATOM 2260 H61 ADE A 77 41.931 25.548 11.046 1.00 0.00 SBOX ATOM 2261 H62 ADE A 77 43.430 25.076 11.818 1.00 0.00 SBOX ATOM 2262 N1 ADE A 77 42.628 26.439 9.102 1.00 0.00 SBOX N ATOM 2263 C2 ADE A 77 43.072 27.106 8.071 1.00 0.00 SBOX C ATOM 2264 H2 ADE A 77 42.255 27.522 7.500 1.00 0.00 SBOX ATOM 2265 N3 ADE A 77 44.285 27.254 7.670 1.00 0.00 SBOX N ATOM 2266 C4 ADE A 77 45.135 26.661 8.531 1.00 0.00 SBOX C ATOM 2267 C3' ADE A 77 48.891 28.868 8.247 1.00 0.00 SBOX C ATOM 2268 H3' ADE A 77 48.841 28.590 9.299 1.00 0.00 SBOX ATOM 2269 C2' ADE A 77 47.556 28.832 7.453 1.00 0.00 SBOX C ATOM 2270 H2'' ADE A 77 46.706 29.280 7.967 1.00 0.00 SBOX ATOM 2271 O2' ADE A 77 47.615 29.353 6.114 1.00 0.00 SBOX O ATOM 2272 H2' ADE A 77 48.026 30.218 6.044 1.00 0.00 SBOX ATOM 2273 O3' ADE A 77 49.619 30.153 8.250 1.00 0.00 SBOX O ATOM 2274 P CYT A 78 49.469 31.110 9.559 1.00 0.00 SBOX P ATOM 2275 O1P CYT A 78 50.341 30.584 10.608 1.00 0.00 SBOX ATOM 2276 O2P CYT A 78 49.708 32.496 9.185 1.00 0.00 SBOX ATOM 2277 O5' CYT A 78 47.968 31.025 9.994 1.00 0.00 SBOX O ATOM 2278 C5' CYT A 78 46.812 31.641 9.501 1.00 0.00 SBOX C ATOM 2279 H5' CYT A 78 46.664 31.406 8.447 1.00 0.00 SBOX ATOM 2280 H5'' CYT A 78 46.736 32.703 9.737 1.00 0.00 SBOX ATOM 2281 C4' CYT A 78 45.580 31.086 10.245 1.00 0.00 SBOX C ATOM 2282 H4' CYT A 78 44.705 31.451 9.706 1.00 0.00 SBOX ATOM 2283 O4' CYT A 78 45.490 29.631 10.330 1.00 0.00 SBOX O ATOM 2284 C1' CYT A 78 44.978 29.229 11.584 1.00 0.00 SBOX C ATOM 2285 H1' CYT A 78 44.020 28.722 11.474 1.00 0.00 SBOX ATOM 2286 N1 CYT A 78 45.969 28.581 12.496 1.00 0.00 SBOX N ATOM 2287 C6 CYT A 78 47.280 28.855 12.469 1.00 0.00 SBOX C ATOM 2288 H6 CYT A 78 47.674 29.623 11.820 1.00 0.00 SBOX ATOM 2289 C5 CYT A 78 48.133 28.232 13.386 1.00 0.00 SBOX C ATOM 2290 H5 CYT A 78 49.188 28.459 13.424 1.00 0.00 SBOX ATOM 2291 C4 CYT A 78 47.522 27.335 14.284 1.00 0.00 SBOX C ATOM 2292 N4 CYT A 78 48.241 26.729 15.158 1.00 0.00 SBOX N ATOM 2293 H41 CYT A 78 47.823 26.079 15.808 1.00 0.00 SBOX ATOM 2294 H42 CYT A 78 49.222 26.947 15.258 1.00 0.00 SBOX ATOM 2295 N3 CYT A 78 46.283 27.036 14.294 1.00 0.00 SBOX N ATOM 2296 C2 CYT A 78 45.499 27.548 13.356 1.00 0.00 SBOX C ATOM 2297 O2 CYT A 78 44.388 27.056 13.288 1.00 0.00 SBOX O ATOM 2298 C3' CYT A 78 45.478 31.666 11.651 1.00 0.00 SBOX C ATOM 2299 H3' CYT A 78 46.433 31.551 12.163 1.00 0.00 SBOX ATOM 2300 C2' CYT A 78 44.542 30.530 12.281 1.00 0.00 SBOX C ATOM 2301 H2'' CYT A 78 44.615 30.499 13.368 1.00 0.00 SBOX ATOM 2302 O2' CYT A 78 43.183 30.674 11.886 1.00 0.00 SBOX O ATOM 2303 H2' CYT A 78 42.666 30.496 12.675 1.00 0.00 SBOX ATOM 2304 O3' CYT A 78 44.955 32.932 11.747 1.00 0.00 SBOX O ATOM 2305 P GUA A 79 45.015 33.736 13.101 1.00 0.00 SBOX P ATOM 2306 O1P GUA A 79 46.306 33.579 13.692 1.00 0.00 SBOX ATOM 2307 O2P GUA A 79 44.489 35.128 12.810 1.00 0.00 SBOX ATOM 2308 O5' GUA A 79 44.007 32.910 14.073 1.00 0.00 SBOX O ATOM 2309 C5' GUA A 79 42.606 33.018 13.912 1.00 0.00 SBOX C ATOM 2310 H5' GUA A 79 42.322 32.779 12.887 1.00 0.00 SBOX ATOM 2311 H5'' GUA A 79 42.287 34.035 14.140 1.00 0.00 SBOX ATOM 2312 C4' GUA A 79 41.746 32.103 14.799 1.00 0.00 SBOX C ATOM 2313 H4' GUA A 79 40.698 32.096 14.502 1.00 0.00 SBOX ATOM 2314 O4' GUA A 79 42.242 30.692 14.673 1.00 0.00 SBOX O ATOM 2315 C1' GUA A 79 42.372 30.203 16.037 1.00 0.00 SBOX C ATOM 2316 H1' GUA A 79 41.824 29.282 16.235 1.00 0.00 SBOX ATOM 2317 N9 GUA A 79 43.742 29.993 16.522 1.00 0.00 SBOX N ATOM 2318 C8 GUA A 79 44.958 30.589 16.123 1.00 0.00 SBOX C ATOM 2319 H8 GUA A 79 44.949 31.409 15.420 1.00 0.00 SBOX ATOM 2320 N7 GUA A 79 46.044 29.999 16.595 1.00 0.00 SBOX N ATOM 2321 C5 GUA A 79 45.589 29.072 17.483 1.00 0.00 SBOX C ATOM 2322 C6 GUA A 79 46.263 28.185 18.422 1.00 0.00 SBOX C ATOM 2323 O6 GUA A 79 47.456 28.011 18.683 1.00 0.00 SBOX O ATOM 2324 N1 GUA A 79 45.389 27.693 19.363 1.00 0.00 SBOX N ATOM 2325 H1 GUA A 79 45.713 27.309 20.239 1.00 0.00 SBOX ATOM 2326 C2 GUA A 79 44.042 27.771 19.279 1.00 0.00 SBOX C ATOM 2327 N2 GUA A 79 43.562 27.477 20.443 1.00 0.00 SBOX N ATOM 2328 H21 GUA A 79 44.193 26.979 21.055 1.00 0.00 SBOX ATOM 2329 H22 GUA A 79 42.608 27.747 20.636 1.00 0.00 SBOX ATOM 2330 N3 GUA A 79 43.337 28.486 18.437 1.00 0.00 SBOX N ATOM 2331 C4 GUA A 79 44.154 29.180 17.536 1.00 0.00 SBOX C ATOM 2332 C3' GUA A 79 41.880 32.555 16.283 1.00 0.00 SBOX C ATOM 2333 H3' GUA A 79 42.920 32.856 16.409 1.00 0.00 SBOX ATOM 2334 C2' GUA A 79 41.587 31.192 16.897 1.00 0.00 SBOX C ATOM 2335 H2'' GUA A 79 42.091 31.406 17.839 1.00 0.00 SBOX ATOM 2336 O2' GUA A 79 40.220 30.787 16.980 1.00 0.00 SBOX O ATOM 2337 H2' GUA A 79 40.008 30.282 17.769 1.00 0.00 SBOX ATOM 2338 O3' GUA A 79 40.925 33.556 16.606 1.00 0.00 SBOX O ATOM 2339 P URA A 80 41.353 34.784 17.560 1.00 0.00 SBOX P ATOM 2340 O1P URA A 80 42.617 35.256 16.971 1.00 0.00 SBOX ATOM 2341 O2P URA A 80 40.221 35.699 17.680 1.00 0.00 SBOX ATOM 2342 O5' URA A 80 41.640 34.025 18.947 1.00 0.00 SBOX O ATOM 2343 C5' URA A 80 40.579 33.547 19.755 1.00 0.00 SBOX C ATOM 2344 H5' URA A 80 39.822 32.947 19.250 1.00 0.00 SBOX ATOM 2345 H5'' URA A 80 40.029 34.406 20.139 1.00 0.00 SBOX ATOM 2346 C4' URA A 80 41.068 32.599 20.869 1.00 0.00 SBOX C ATOM 2347 H4' URA A 80 40.207 32.074 21.282 1.00 0.00 SBOX ATOM 2348 O4' URA A 80 41.981 31.556 20.427 1.00 0.00 SBOX O ATOM 2349 C1' URA A 80 42.873 31.352 21.448 1.00 0.00 SBOX C ATOM 2350 H1' URA A 80 42.669 30.341 21.801 1.00 0.00 SBOX ATOM 2351 N1 URA A 80 44.226 31.573 20.970 1.00 0.00 SBOX N ATOM 2352 C6 URA A 80 44.499 32.561 19.929 1.00 0.00 SBOX C ATOM 2353 H6 URA A 80 43.718 33.265 19.680 1.00 0.00 SBOX ATOM 2354 C5 URA A 80 45.728 32.541 19.356 1.00 0.00 SBOX C ATOM 2355 H5 URA A 80 45.925 33.354 18.672 1.00 0.00 SBOX ATOM 2356 C4 URA A 80 46.786 31.669 19.730 1.00 0.00 SBOX C ATOM 2357 O4 URA A 80 47.824 31.689 19.217 1.00 0.00 SBOX O ATOM 2358 N3 URA A 80 46.446 30.780 20.759 1.00 0.00 SBOX N ATOM 2359 H3 URA A 80 47.066 30.076 21.135 1.00 0.00 SBOX ATOM 2360 C2 URA A 80 45.189 30.601 21.253 1.00 0.00 SBOX C ATOM 2361 O2 URA A 80 44.878 29.684 21.994 1.00 0.00 SBOX O ATOM 2362 C3' URA A 80 41.803 33.459 21.951 1.00 0.00 SBOX C ATOM 2363 H3' URA A 80 42.490 34.235 21.614 1.00 0.00 SBOX ATOM 2364 C2' URA A 80 42.554 32.285 22.598 1.00 0.00 SBOX C ATOM 2365 H2'' URA A 80 43.437 32.708 23.076 1.00 0.00 SBOX ATOM 2366 O2' URA A 80 41.740 31.494 23.476 1.00 0.00 SBOX O ATOM 2367 H2' URA A 80 42.166 31.529 24.335 1.00 0.00 SBOX ATOM 2368 O3' URA A 80 40.836 34.114 22.794 1.00 0.00 SBOX O ATOM 2369 P URA A 81 41.173 35.173 23.959 1.00 0.00 SBOX P ATOM 2370 O1P URA A 81 42.207 36.102 23.406 1.00 0.00 SBOX ATOM 2371 O2P URA A 81 39.893 35.769 24.407 1.00 0.00 SBOX ATOM 2372 O5' URA A 81 41.903 34.410 25.172 1.00 0.00 SBOX O ATOM 2373 C5' URA A 81 41.272 33.460 26.041 1.00 0.00 SBOX C ATOM 2374 H5' URA A 81 40.636 32.755 25.505 1.00 0.00 SBOX ATOM 2375 H5'' URA A 81 40.615 33.972 26.745 1.00 0.00 SBOX ATOM 2376 C4' URA A 81 42.363 32.769 26.845 1.00 0.00 SBOX C ATOM 2377 H4' URA A 81 41.928 31.979 27.456 1.00 0.00 SBOX ATOM 2378 O4' URA A 81 43.243 32.092 25.951 1.00 0.00 SBOX O ATOM 2379 C1' URA A 81 44.521 31.879 26.510 1.00 0.00 SBOX C ATOM 2380 H1' URA A 81 44.807 30.857 26.761 1.00 0.00 SBOX ATOM 2381 N1 URA A 81 45.678 32.396 25.660 1.00 0.00 SBOX N ATOM 2382 C6 URA A 81 45.457 33.219 24.624 1.00 0.00 SBOX C ATOM 2383 H6 URA A 81 44.558 33.816 24.567 1.00 0.00 SBOX ATOM 2384 C5 URA A 81 46.389 33.359 23.628 1.00 0.00 SBOX C ATOM 2385 H5 URA A 81 46.246 33.976 22.754 1.00 0.00 SBOX ATOM 2386 C4 URA A 81 47.609 32.594 23.648 1.00 0.00 SBOX C ATOM 2387 O4 URA A 81 48.509 32.621 22.882 1.00 0.00 SBOX O ATOM 2388 N3 URA A 81 47.728 31.756 24.683 1.00 0.00 SBOX N ATOM 2389 H3 URA A 81 48.588 31.235 24.783 1.00 0.00 SBOX ATOM 2390 C2 URA A 81 46.882 31.674 25.724 1.00 0.00 SBOX C ATOM 2391 O2 URA A 81 47.216 30.984 26.702 1.00 0.00 SBOX O ATOM 2392 C3' URA A 81 43.313 33.638 27.619 1.00 0.00 SBOX C ATOM 2393 H3' URA A 81 43.591 34.511 27.029 1.00 0.00 SBOX ATOM 2394 C2' URA A 81 44.504 32.703 27.775 1.00 0.00 SBOX C ATOM 2395 H2'' URA A 81 45.460 33.218 27.682 1.00 0.00 SBOX ATOM 2396 O2' URA A 81 44.495 31.697 28.777 1.00 0.00 SBOX O ATOM 2397 H2' URA A 81 45.262 31.889 29.322 1.00 0.00 SBOX ATOM 2398 O3' URA A 81 42.725 33.941 28.872 1.00 0.00 SBOX O ATOM 2399 P GUA A 82 43.224 35.184 29.682 1.00 0.00 SBOX P ATOM 2400 O1P GUA A 82 43.379 36.354 28.763 1.00 0.00 SBOX ATOM 2401 O2P GUA A 82 42.354 35.318 30.933 1.00 0.00 SBOX ATOM 2402 O5' GUA A 82 44.690 34.656 30.059 1.00 0.00 SBOX O ATOM 2403 C5' GUA A 82 44.859 33.931 31.256 1.00 0.00 SBOX C ATOM 2404 H5' GUA A 82 44.085 33.174 31.381 1.00 0.00 SBOX ATOM 2405 H5'' GUA A 82 44.683 34.579 32.115 1.00 0.00 SBOX ATOM 2406 C4' GUA A 82 46.268 33.300 31.381 1.00 0.00 SBOX C ATOM 2407 H4' GUA A 82 46.163 32.623 32.228 1.00 0.00 SBOX ATOM 2408 O4' GUA A 82 46.685 32.570 30.194 1.00 0.00 SBOX O ATOM 2409 C1' GUA A 82 48.087 32.742 30.009 1.00 0.00 SBOX C ATOM 2410 H1' GUA A 82 48.659 31.814 30.016 1.00 0.00 SBOX ATOM 2411 N9 GUA A 82 48.503 33.365 28.689 1.00 0.00 SBOX N ATOM 2412 C8 GUA A 82 47.901 34.233 27.819 1.00 0.00 SBOX C ATOM 2413 H8 GUA A 82 46.934 34.668 28.024 1.00 0.00 SBOX ATOM 2414 N7 GUA A 82 48.428 34.395 26.672 1.00 0.00 SBOX N ATOM 2415 C5 GUA A 82 49.690 33.831 26.884 1.00 0.00 SBOX C ATOM 2416 C6 GUA A 82 50.888 33.833 26.101 1.00 0.00 SBOX C ATOM 2417 O6 GUA A 82 51.118 34.358 25.060 1.00 0.00 SBOX O ATOM 2418 N1 GUA A 82 51.945 33.183 26.690 1.00 0.00 SBOX N ATOM 2419 H1 GUA A 82 52.815 33.178 26.177 1.00 0.00 SBOX ATOM 2420 C2 GUA A 82 51.925 32.562 27.862 1.00 0.00 SBOX C ATOM 2421 N2 GUA A 82 53.018 32.148 28.364 1.00 0.00 SBOX N ATOM 2422 H21 GUA A 82 53.944 32.177 27.963 1.00 0.00 SBOX ATOM 2423 H22 GUA A 82 53.034 31.697 29.268 1.00 0.00 SBOX ATOM 2424 N3 GUA A 82 50.847 32.631 28.644 1.00 0.00 SBOX N ATOM 2425 C4 GUA A 82 49.724 33.222 28.115 1.00 0.00 SBOX C ATOM 2426 C3' GUA A 82 47.340 34.369 31.737 1.00 0.00 SBOX C ATOM 2427 H3' GUA A 82 47.200 35.257 31.121 1.00 0.00 SBOX ATOM 2428 C2' GUA A 82 48.621 33.695 31.123 1.00 0.00 SBOX C ATOM 2429 H2'' GUA A 82 49.318 34.388 30.649 1.00 0.00 SBOX ATOM 2430 O2' GUA A 82 49.390 33.078 32.125 1.00 0.00 SBOX O ATOM 2431 H2' GUA A 82 49.817 33.777 32.625 1.00 0.00 SBOX ATOM 2432 O3' GUA A 82 47.447 34.715 33.081 1.00 0.00 SBOX O ATOM 2433 P ADE A 83 48.234 36.071 33.700 1.00 0.00 SBOX P ATOM 2434 O1P ADE A 83 48.026 37.178 32.778 1.00 0.00 SBOX ATOM 2435 O2P ADE A 83 48.019 36.183 35.156 1.00 0.00 SBOX ATOM 2436 O5' ADE A 83 49.710 35.484 33.467 1.00 0.00 SBOX O ATOM 2437 C5' ADE A 83 50.736 36.476 33.088 1.00 0.00 SBOX C ATOM 2438 H5' ADE A 83 51.116 37.222 33.786 1.00 0.00 SBOX ATOM 2439 H5'' ADE A 83 50.463 37.035 32.193 1.00 0.00 SBOX ATOM 2440 C4' ADE A 83 51.836 35.440 32.827 1.00 0.00 SBOX C ATOM 2441 H4' ADE A 83 51.960 34.785 33.689 1.00 0.00 SBOX ATOM 2442 O4' ADE A 83 51.599 34.824 31.622 1.00 0.00 SBOX O ATOM 2443 C1' ADE A 83 52.816 34.740 30.977 1.00 0.00 SBOX C ATOM 2444 H1' ADE A 83 52.962 33.742 30.564 1.00 0.00 SBOX ATOM 2445 N9 ADE A 83 52.776 35.484 29.714 1.00 0.00 SBOX N ATOM 2446 C8 ADE A 83 51.781 36.259 29.243 1.00 0.00 SBOX C ATOM 2447 H8 ADE A 83 50.965 36.586 29.871 1.00 0.00 SBOX ATOM 2448 N7 ADE A 83 51.891 36.642 28.000 1.00 0.00 SBOX N ATOM 2449 C5 ADE A 83 53.095 36.040 27.595 1.00 0.00 SBOX C ATOM 2450 C6 ADE A 83 53.860 36.062 26.403 1.00 0.00 SBOX C ATOM 2451 N6 ADE A 83 53.542 36.601 25.254 1.00 0.00 SBOX N ATOM 2452 H61 ADE A 83 54.148 36.487 24.455 1.00 0.00 SBOX ATOM 2453 H62 ADE A 83 52.755 37.233 25.279 1.00 0.00 SBOX ATOM 2454 N1 ADE A 83 55.038 35.484 26.406 1.00 0.00 SBOX N ATOM 2455 C2 ADE A 83 55.432 34.911 27.515 1.00 0.00 SBOX C ATOM 2456 H2 ADE A 83 56.365 34.376 27.421 1.00 0.00 SBOX ATOM 2457 N3 ADE A 83 54.847 34.799 28.671 1.00 0.00 SBOX N ATOM 2458 C4 ADE A 83 53.637 35.398 28.673 1.00 0.00 SBOX C ATOM 2459 C3' ADE A 83 53.146 36.205 32.649 1.00 0.00 SBOX C ATOM 2460 H3' ADE A 83 52.912 37.070 32.029 1.00 0.00 SBOX ATOM 2461 C2' ADE A 83 53.949 35.207 31.831 1.00 0.00 SBOX C ATOM 2462 H2'' ADE A 83 54.751 35.690 31.272 1.00 0.00 SBOX ATOM 2463 O2' ADE A 83 54.347 34.108 32.583 1.00 0.00 SBOX O ATOM 2464 H2' ADE A 83 55.077 33.623 32.192 1.00 0.00 SBOX ATOM 2465 O3' ADE A 83 53.901 36.485 33.926 1.00 0.00 SBOX O ATOM 2466 P ADE A 84 55.062 37.591 33.930 1.00 0.00 SBOX P ATOM 2467 O1P ADE A 84 54.434 38.895 33.748 1.00 0.00 SBOX ATOM 2468 O2P ADE A 84 55.849 37.413 35.177 1.00 0.00 SBOX ATOM 2469 O5' ADE A 84 55.994 37.407 32.692 1.00 0.00 SBOX O ATOM 2470 C5' ADE A 84 56.942 36.411 32.691 1.00 0.00 SBOX C ATOM 2471 H5' ADE A 84 56.675 35.356 32.746 1.00 0.00 SBOX ATOM 2472 H5'' ADE A 84 57.698 36.663 33.435 1.00 0.00 SBOX ATOM 2473 C4' ADE A 84 57.795 36.456 31.427 1.00 0.00 SBOX C ATOM 2474 H4' ADE A 84 58.639 35.787 31.594 1.00 0.00 SBOX ATOM 2475 O4' ADE A 84 57.135 36.030 30.229 1.00 0.00 SBOX O ATOM 2476 C1' ADE A 84 57.439 36.903 29.166 1.00 0.00 SBOX C ATOM 2477 H1' ADE A 84 57.717 36.263 28.328 1.00 0.00 SBOX ATOM 2478 N9 ADE A 84 56.320 37.837 28.796 1.00 0.00 SBOX N ATOM 2479 C8 ADE A 84 55.244 38.279 29.566 1.00 0.00 SBOX C ATOM 2480 H8 ADE A 84 55.208 38.029 30.616 1.00 0.00 SBOX ATOM 2481 N7 ADE A 84 54.317 39.041 28.992 1.00 0.00 SBOX N ATOM 2482 C5 ADE A 84 54.855 39.153 27.685 1.00 0.00 SBOX C ATOM 2483 C6 ADE A 84 54.446 39.596 26.417 1.00 0.00 SBOX C ATOM 2484 N6 ADE A 84 53.301 40.154 26.070 1.00 0.00 SBOX N ATOM 2485 H61 ADE A 84 53.261 40.545 25.139 1.00 0.00 SBOX ATOM 2486 H62 ADE A 84 52.548 40.271 26.733 1.00 0.00 SBOX ATOM 2487 N1 ADE A 84 55.133 39.512 25.318 1.00 0.00 SBOX N ATOM 2488 C2 ADE A 84 56.265 38.878 25.381 1.00 0.00 SBOX C ATOM 2489 H2 ADE A 84 56.813 38.842 24.451 1.00 0.00 SBOX ATOM 2490 N3 ADE A 84 56.876 38.345 26.450 1.00 0.00 SBOX N ATOM 2491 C4 ADE A 84 56.078 38.498 27.581 1.00 0.00 SBOX C ATOM 2492 C3' ADE A 84 58.415 37.853 31.160 1.00 0.00 SBOX C ATOM 2493 H3' ADE A 84 57.698 38.658 31.325 1.00 0.00 SBOX ATOM 2494 C2' ADE A 84 58.632 37.660 29.661 1.00 0.00 SBOX C ATOM 2495 H2'' ADE A 84 58.701 38.654 29.220 1.00 0.00 SBOX ATOM 2496 O2' ADE A 84 59.694 36.824 29.387 1.00 0.00 SBOX O ATOM 2497 H2' ADE A 84 59.997 37.025 28.499 1.00 0.00 SBOX ATOM 2498 O3' ADE A 84 59.569 38.187 31.909 1.00 0.00 SBOX O ATOM 2499 P ADE A 85 60.014 39.713 31.937 1.00 0.00 SBOX P ATOM 2500 O1P ADE A 85 58.916 40.455 32.587 1.00 0.00 SBOX ATOM 2501 O2P ADE A 85 61.321 39.737 32.524 1.00 0.00 SBOX ATOM 2502 O5' ADE A 85 60.038 40.215 30.424 1.00 0.00 SBOX O ATOM 2503 C5' ADE A 85 61.142 39.878 29.524 1.00 0.00 SBOX C ATOM 2504 H5' ADE A 85 61.208 38.810 29.318 1.00 0.00 SBOX ATOM 2505 H5'' ADE A 85 62.117 40.188 29.902 1.00 0.00 SBOX ATOM 2506 C4' ADE A 85 60.950 40.675 28.235 1.00 0.00 SBOX C ATOM 2507 H4' ADE A 85 61.840 40.557 27.615 1.00 0.00 SBOX ATOM 2508 O4' ADE A 85 59.845 40.236 27.387 1.00 0.00 SBOX O ATOM 2509 C1' ADE A 85 59.206 41.354 26.767 1.00 0.00 SBOX C ATOM 2510 H1' ADE A 85 59.260 41.107 25.706 1.00 0.00 SBOX ATOM 2511 N9 ADE A 85 57.933 41.508 27.478 1.00 0.00 SBOX N ATOM 2512 C8 ADE A 85 57.511 41.130 28.764 1.00 0.00 SBOX C ATOM 2513 H8 ADE A 85 58.159 40.598 29.445 1.00 0.00 SBOX ATOM 2514 N7 ADE A 85 56.397 41.717 29.069 1.00 0.00 SBOX N ATOM 2515 C5 ADE A 85 55.926 42.264 27.871 1.00 0.00 SBOX C ATOM 2516 C6 ADE A 85 54.749 42.905 27.465 1.00 0.00 SBOX C ATOM 2517 N6 ADE A 85 53.724 43.182 28.216 1.00 0.00 SBOX N ATOM 2518 H61 ADE A 85 52.891 43.519 27.754 1.00 0.00 SBOX ATOM 2519 H62 ADE A 85 53.656 42.836 29.162 1.00 0.00 SBOX ATOM 2520 N1 ADE A 85 54.633 43.423 26.255 1.00 0.00 SBOX N ATOM 2521 C2 ADE A 85 55.693 43.383 25.449 1.00 0.00 SBOX C ATOM 2522 H2 ADE A 85 55.584 44.001 24.570 1.00 0.00 SBOX ATOM 2523 N3 ADE A 85 56.899 42.827 25.673 1.00 0.00 SBOX N ATOM 2524 C4 ADE A 85 56.903 42.215 26.887 1.00 0.00 SBOX C ATOM 2525 C3' ADE A 85 60.787 42.188 28.440 1.00 0.00 SBOX C ATOM 2526 H3' ADE A 85 60.014 42.379 29.184 1.00 0.00 SBOX ATOM 2527 C2' ADE A 85 60.168 42.505 27.038 1.00 0.00 SBOX C ATOM 2528 H2'' ADE A 85 59.619 43.446 27.084 1.00 0.00 SBOX ATOM 2529 O2' ADE A 85 61.133 42.443 25.914 1.00 0.00 SBOX O ATOM 2530 H2' ADE A 85 60.778 42.413 25.023 1.00 0.00 SBOX ATOM 2531 O3' ADE A 85 62.006 42.916 28.453 1.00 0.00 SBOX O ATOM 2532 P GUA A 86 62.200 44.164 29.380 1.00 0.00 SBOX P ATOM 2533 O1P GUA A 86 61.804 43.734 30.744 1.00 0.00 SBOX ATOM 2534 O2P GUA A 86 63.543 44.584 29.121 1.00 0.00 SBOX ATOM 2535 O5' GUA A 86 61.095 45.148 28.827 1.00 0.00 SBOX O ATOM 2536 C5' GUA A 86 61.189 45.710 27.480 1.00 0.00 SBOX C ATOM 2537 H5' GUA A 86 61.404 44.915 26.767 1.00 0.00 SBOX ATOM 2538 H5'' GUA A 86 62.037 46.392 27.538 1.00 0.00 SBOX ATOM 2539 C4' GUA A 86 60.013 46.479 26.911 1.00 0.00 SBOX C ATOM 2540 H4' GUA A 86 60.227 46.884 25.922 1.00 0.00 SBOX ATOM 2541 O4' GUA A 86 58.923 45.576 26.759 1.00 0.00 SBOX O ATOM 2542 C1' GUA A 86 57.787 46.336 26.822 1.00 0.00 SBOX C ATOM 2543 H1' GUA A 86 57.331 46.154 25.849 1.00 0.00 SBOX ATOM 2544 N9 GUA A 86 56.896 45.930 27.926 1.00 0.00 SBOX N ATOM 2545 C8 GUA A 86 57.112 45.046 28.972 1.00 0.00 SBOX C ATOM 2546 H8 GUA A 86 57.995 44.434 29.079 1.00 0.00 SBOX ATOM 2547 N7 GUA A 86 56.183 45.058 29.868 1.00 0.00 SBOX N ATOM 2548 C5 GUA A 86 55.202 45.878 29.314 1.00 0.00 SBOX C ATOM 2549 C6 GUA A 86 53.872 46.247 29.787 1.00 0.00 SBOX C ATOM 2550 O6 GUA A 86 53.292 45.794 30.791 1.00 0.00 SBOX O ATOM 2551 N1 GUA A 86 53.199 47.171 28.926 1.00 0.00 SBOX N ATOM 2552 H1 GUA A 86 52.280 47.492 29.196 1.00 0.00 SBOX ATOM 2553 C2 GUA A 86 53.695 47.651 27.786 1.00 0.00 SBOX C ATOM 2554 N2 GUA A 86 53.098 48.596 27.187 1.00 0.00 SBOX N ATOM 2555 H21 GUA A 86 52.199 48.930 27.504 1.00 0.00 SBOX ATOM 2556 H22 GUA A 86 53.446 48.902 26.290 1.00 0.00 SBOX ATOM 2557 N3 GUA A 86 54.958 47.472 27.392 1.00 0.00 SBOX N ATOM 2558 C4 GUA A 86 55.672 46.476 28.157 1.00 0.00 SBOX C ATOM 2559 C3' GUA A 86 59.505 47.658 27.766 1.00 0.00 SBOX C ATOM 2560 H3' GUA A 86 59.414 47.293 28.789 1.00 0.00 SBOX ATOM 2561 C2' GUA A 86 58.151 47.806 27.064 1.00 0.00 SBOX C ATOM 2562 H2'' GUA A 86 57.540 48.324 27.804 1.00 0.00 SBOX ATOM 2563 O2' GUA A 86 58.198 48.392 25.806 1.00 0.00 SBOX O ATOM 2564 H2' GUA A 86 57.312 48.219 25.479 1.00 0.00 SBOX ATOM 2565 O3' GUA A 86 60.468 48.669 27.583 1.00 0.00 SBOX O ATOM 2566 P ADE A 87 60.517 50.084 28.422 1.00 0.00 SBOX P ATOM 2567 O1P ADE A 87 60.550 49.725 29.839 1.00 0.00 SBOX ATOM 2568 O2P ADE A 87 61.609 50.930 27.899 1.00 0.00 SBOX ATOM 2569 O5' ADE A 87 59.277 51.026 28.232 1.00 0.00 SBOX O ATOM 2570 C5' ADE A 87 58.924 51.562 26.969 1.00 0.00 SBOX C ATOM 2571 H5' ADE A 87 59.044 50.824 26.176 1.00 0.00 SBOX ATOM 2572 H5'' ADE A 87 59.514 52.457 26.769 1.00 0.00 SBOX ATOM 2573 C4' ADE A 87 57.502 52.157 27.095 1.00 0.00 SBOX C ATOM 2574 H4' ADE A 87 57.189 52.815 26.285 1.00 0.00 SBOX ATOM 2575 O4' ADE A 87 56.463 51.189 27.080 1.00 0.00 SBOX O ATOM 2576 C1' ADE A 87 55.483 51.404 27.978 1.00 0.00 SBOX C ATOM 2577 H1' ADE A 87 54.554 51.209 27.441 1.00 0.00 SBOX ATOM 2578 N9 ADE A 87 55.502 50.460 29.163 1.00 0.00 SBOX N ATOM 2579 C8 ADE A 87 56.507 49.809 29.817 1.00 0.00 SBOX C ATOM 2580 H8 ADE A 87 57.513 49.901 29.434 1.00 0.00 SBOX ATOM 2581 N7 ADE A 87 56.163 49.112 30.958 1.00 0.00 SBOX N ATOM 2582 C5 ADE A 87 54.770 49.290 30.963 1.00 0.00 SBOX C ATOM 2583 C6 ADE A 87 53.693 48.857 31.828 1.00 0.00 SBOX C ATOM 2584 N6 ADE A 87 53.787 48.090 32.857 1.00 0.00 SBOX N ATOM 2585 H61 ADE A 87 52.841 47.939 33.177 1.00 0.00 SBOX ATOM 2586 H62 ADE A 87 54.704 47.901 33.235 1.00 0.00 SBOX ATOM 2587 N1 ADE A 87 52.432 49.216 31.619 1.00 0.00 SBOX N ATOM 2588 C2 ADE A 87 52.234 49.976 30.568 1.00 0.00 SBOX C ATOM 2589 H2 ADE A 87 51.243 50.371 30.398 1.00 0.00 SBOX ATOM 2590 N3 ADE A 87 53.094 50.489 29.713 1.00 0.00 SBOX N ATOM 2591 C4 ADE A 87 54.364 50.136 29.973 1.00 0.00 SBOX C ATOM 2592 C3' ADE A 87 57.264 52.884 28.434 1.00 0.00 SBOX C ATOM 2593 H3' ADE A 87 57.662 52.407 29.330 1.00 0.00 SBOX ATOM 2594 C2' ADE A 87 55.711 52.887 28.444 1.00 0.00 SBOX C ATOM 2595 H2'' ADE A 87 55.323 53.020 29.453 1.00 0.00 SBOX ATOM 2596 O2' ADE A 87 55.159 53.700 27.441 1.00 0.00 SBOX O ATOM 2597 H2' ADE A 87 54.256 53.401 27.313 1.00 0.00 SBOX ATOM 2598 O3' ADE A 87 57.749 54.168 28.207 1.00 0.00 SBOX O ATOM 2599 P URA A 88 58.122 55.093 29.478 1.00 0.00 SBOX P ATOM 2600 O1P URA A 88 58.743 54.234 30.516 1.00 0.00 SBOX ATOM 2601 O2P URA A 88 58.885 56.241 28.976 1.00 0.00 SBOX ATOM 2602 O5' URA A 88 56.712 55.546 30.077 1.00 0.00 SBOX O ATOM 2603 C5' URA A 88 55.849 56.417 29.308 1.00 0.00 SBOX C ATOM 2604 H5' URA A 88 55.525 55.958 28.374 1.00 0.00 SBOX ATOM 2605 H5'' URA A 88 56.448 57.314 29.156 1.00 0.00 SBOX ATOM 2606 C4' URA A 88 54.581 56.582 30.186 1.00 0.00 SBOX C ATOM 2607 H4' URA A 88 53.972 57.351 29.712 1.00 0.00 SBOX ATOM 2608 O4' URA A 88 53.914 55.313 30.247 1.00 0.00 SBOX O ATOM 2609 C1' URA A 88 53.134 55.267 31.481 1.00 0.00 SBOX C ATOM 2610 H1' URA A 88 52.082 55.289 31.197 1.00 0.00 SBOX ATOM 2611 N1 URA A 88 53.522 54.017 32.330 1.00 0.00 SBOX N ATOM 2612 C6 URA A 88 54.714 53.407 32.174 1.00 0.00 SBOX C ATOM 2613 H6 URA A 88 55.414 53.782 31.443 1.00 0.00 SBOX ATOM 2614 C5 URA A 88 55.037 52.281 32.878 1.00 0.00 SBOX C ATOM 2615 H5 URA A 88 55.970 51.748 32.771 1.00 0.00 SBOX ATOM 2616 C4 URA A 88 54.109 51.733 33.843 1.00 0.00 SBOX C ATOM 2617 O4 URA A 88 54.278 50.717 34.477 1.00 0.00 SBOX O ATOM 2618 N3 URA A 88 52.876 52.339 33.892 1.00 0.00 SBOX N ATOM 2619 H3 URA A 88 52.263 52.115 34.663 1.00 0.00 SBOX ATOM 2620 C2 URA A 88 52.550 53.430 33.266 1.00 0.00 SBOX C ATOM 2621 O2 URA A 88 51.437 53.918 33.466 1.00 0.00 SBOX O ATOM 2622 C3' URA A 88 54.777 56.944 31.681 1.00 0.00 SBOX C ATOM 2623 H3' URA A 88 55.535 56.293 32.115 1.00 0.00 SBOX ATOM 2624 C2' URA A 88 53.399 56.582 32.221 1.00 0.00 SBOX C ATOM 2625 H2'' URA A 88 53.441 56.402 33.296 1.00 0.00 SBOX ATOM 2626 O2' URA A 88 52.526 57.629 31.858 1.00 0.00 SBOX O ATOM 2627 H2' URA A 88 53.089 58.406 31.894 1.00 0.00 SBOX ATOM 2628 O3' URA A 88 55.274 58.315 31.911 1.00 0.00 SBOX O ATOM 2629 P GUA A 89 55.898 58.652 33.373 1.00 0.00 SBOX P ATOM 2630 O1P GUA A 89 56.868 57.614 33.627 1.00 0.00 SBOX ATOM 2631 O2P GUA A 89 56.354 60.049 33.452 1.00 0.00 SBOX ATOM 2632 O5' GUA A 89 54.708 58.452 34.373 1.00 0.00 SBOX O ATOM 2633 C5' GUA A 89 53.593 59.363 34.493 1.00 0.00 SBOX C ATOM 2634 H5' GUA A 89 53.166 59.445 33.494 1.00 0.00 SBOX ATOM 2635 H5'' GUA A 89 53.950 60.287 34.947 1.00 0.00 SBOX ATOM 2636 C4' GUA A 89 52.460 58.879 35.450 1.00 0.00 SBOX C ATOM 2637 H4' GUA A 89 51.782 59.731 35.396 1.00 0.00 SBOX ATOM 2638 O4' GUA A 89 52.011 57.603 35.087 1.00 0.00 SBOX O ATOM 2639 C1' GUA A 89 51.723 56.886 36.385 1.00 0.00 SBOX C ATOM 2640 H1' GUA A 89 50.709 56.496 36.476 1.00 0.00 SBOX ATOM 2641 N9 GUA A 89 52.630 55.761 36.572 1.00 0.00 SBOX N ATOM 2642 C8 GUA A 89 53.731 55.399 35.854 1.00 0.00 SBOX C ATOM 2643 H8 GUA A 89 54.281 56.067 35.208 1.00 0.00 SBOX ATOM 2644 N7 GUA A 89 54.265 54.238 36.214 1.00 0.00 SBOX N ATOM 2645 C5 GUA A 89 53.404 53.780 37.220 1.00 0.00 SBOX C ATOM 2646 C6 GUA A 89 53.503 52.605 38.130 1.00 0.00 SBOX C ATOM 2647 O6 GUA A 89 54.413 51.853 38.385 1.00 0.00 SBOX O ATOM 2648 N1 GUA A 89 52.330 52.534 38.905 1.00 0.00 SBOX N ATOM 2649 H1 GUA A 89 52.269 51.730 39.514 1.00 0.00 SBOX ATOM 2650 C2 GUA A 89 51.422 53.459 39.004 1.00 0.00 SBOX C ATOM 2651 N2 GUA A 89 50.510 53.187 39.897 1.00 0.00 SBOX N ATOM 2652 H21 GUA A 89 50.601 52.264 40.295 1.00 0.00 SBOX ATOM 2653 H22 GUA A 89 49.843 53.912 40.122 1.00 0.00 SBOX ATOM 2654 N3 GUA A 89 51.417 54.585 38.376 1.00 0.00 SBOX N ATOM 2655 C4 GUA A 89 52.433 54.724 37.474 1.00 0.00 SBOX C ATOM 2656 C3' GUA A 89 52.872 58.919 36.941 1.00 0.00 SBOX C ATOM 2657 H3' GUA A 89 53.908 58.580 36.967 1.00 0.00 SBOX ATOM 2658 C2' GUA A 89 51.841 57.935 37.493 1.00 0.00 SBOX C ATOM 2659 H2'' GUA A 89 52.236 57.491 38.406 1.00 0.00 SBOX ATOM 2660 O2' GUA A 89 50.606 58.546 37.690 1.00 0.00 SBOX O ATOM 2661 H2' GUA A 89 50.813 59.474 37.551 1.00 0.00 SBOX ATOM 2662 O3' GUA A 89 52.834 60.204 37.516 1.00 0.00 SBOX O ATOM 2663 P ADE A 90 53.654 60.546 38.755 1.00 0.00 SBOX P ATOM 2664 O1P ADE A 90 55.045 60.516 38.249 1.00 0.00 SBOX ATOM 2665 O2P ADE A 90 53.176 61.862 39.198 1.00 0.00 SBOX ATOM 2666 O5' ADE A 90 53.487 59.332 39.774 1.00 0.00 SBOX O ATOM 2667 C5' ADE A 90 52.302 59.213 40.596 1.00 0.00 SBOX C ATOM 2668 H5' ADE A 90 51.357 59.110 40.062 1.00 0.00 SBOX ATOM 2669 H5'' ADE A 90 52.171 60.063 41.267 1.00 0.00 SBOX ATOM 2670 C4' ADE A 90 52.299 57.941 41.435 1.00 0.00 SBOX C ATOM 2671 H4' ADE A 90 51.513 58.007 42.188 1.00 0.00 SBOX ATOM 2672 O4' ADE A 90 52.144 56.724 40.719 1.00 0.00 SBOX O ATOM 2673 C1' ADE A 90 52.906 55.716 41.350 1.00 0.00 SBOX C ATOM 2674 H1' ADE A 90 52.241 54.907 41.652 1.00 0.00 SBOX ATOM 2675 N9 ADE A 90 54.103 55.337 40.560 1.00 0.00 SBOX N ATOM 2676 C8 ADE A 90 54.720 56.018 39.478 1.00 0.00 SBOX C ATOM 2677 H8 ADE A 90 54.317 56.956 39.124 1.00 0.00 SBOX ATOM 2678 N7 ADE A 90 55.745 55.376 39.001 1.00 0.00 SBOX N ATOM 2679 C5 ADE A 90 55.887 54.233 39.844 1.00 0.00 SBOX C ATOM 2680 C6 ADE A 90 56.719 53.123 40.008 1.00 0.00 SBOX C ATOM 2681 N6 ADE A 90 57.671 52.798 39.196 1.00 0.00 SBOX N ATOM 2682 H61 ADE A 90 58.255 52.022 39.472 1.00 0.00 SBOX ATOM 2683 H62 ADE A 90 57.785 53.328 38.344 1.00 0.00 SBOX ATOM 2684 N1 ADE A 90 56.555 52.190 40.911 1.00 0.00 SBOX N ATOM 2685 C2 ADE A 90 55.465 52.308 41.664 1.00 0.00 SBOX C ATOM 2686 H2 ADE A 90 55.459 51.482 42.360 1.00 0.00 SBOX ATOM 2687 N3 ADE A 90 54.617 53.286 41.743 1.00 0.00 SBOX N ATOM 2688 C4 ADE A 90 54.892 54.211 40.774 1.00 0.00 SBOX C ATOM 2689 C3' ADE A 90 53.542 57.809 42.376 1.00 0.00 SBOX C ATOM 2690 H3' ADE A 90 54.424 57.998 41.764 1.00 0.00 SBOX ATOM 2691 C2' ADE A 90 53.470 56.384 42.656 1.00 0.00 SBOX C ATOM 2692 H2'' ADE A 90 54.361 55.864 43.009 1.00 0.00 SBOX ATOM 2693 O2' ADE A 90 52.524 56.136 43.706 1.00 0.00 SBOX O ATOM 2694 H2' ADE A 90 52.874 55.466 44.298 1.00 0.00 SBOX ATOM 2695 O3' ADE A 90 53.544 58.684 43.490 1.00 0.00 SBOX O ATOM 2696 P GUA A 91 54.894 59.266 43.965 1.00 0.00 SBOX P ATOM 2697 O1P GUA A 91 55.847 59.438 42.897 1.00 0.00 SBOX ATOM 2698 O2P GUA A 91 54.509 60.437 44.776 1.00 0.00 SBOX ATOM 2699 O5' GUA A 91 55.384 58.121 44.936 1.00 0.00 SBOX O ATOM 2700 C5' GUA A 91 54.577 57.684 46.015 1.00 0.00 SBOX C ATOM 2701 H5' GUA A 91 53.554 57.427 45.739 1.00 0.00 SBOX ATOM 2702 H5'' GUA A 91 54.680 58.414 46.818 1.00 0.00 SBOX ATOM 2703 C4' GUA A 91 55.119 56.380 46.519 1.00 0.00 SBOX C ATOM 2704 H4' GUA A 91 54.438 56.218 47.354 1.00 0.00 SBOX ATOM 2705 O4' GUA A 91 55.068 55.363 45.588 1.00 0.00 SBOX O ATOM 2706 C1' GUA A 91 56.059 54.434 45.878 1.00 0.00 SBOX C ATOM 2707 H1' GUA A 91 55.699 53.445 46.161 1.00 0.00 SBOX ATOM 2708 N9 GUA A 91 56.833 54.481 44.585 1.00 0.00 SBOX N ATOM 2709 C8 GUA A 91 57.175 55.573 43.862 1.00 0.00 SBOX C ATOM 2710 H8 GUA A 91 56.795 56.564 44.064 1.00 0.00 SBOX ATOM 2711 N7 GUA A 91 58.058 55.352 42.949 1.00 0.00 SBOX N ATOM 2712 C5 GUA A 91 58.334 54.040 43.046 1.00 0.00 SBOX C ATOM 2713 C6 GUA A 91 59.268 53.209 42.387 1.00 0.00 SBOX C ATOM 2714 O6 GUA A 91 60.061 53.458 41.420 1.00 0.00 SBOX O ATOM 2715 N1 GUA A 91 59.390 51.975 42.926 1.00 0.00 SBOX N ATOM 2716 H1 GUA A 91 60.013 51.302 42.502 1.00 0.00 SBOX ATOM 2717 C2 GUA A 91 58.580 51.539 43.886 1.00 0.00 SBOX C ATOM 2718 N2 GUA A 91 58.736 50.327 44.249 1.00 0.00 SBOX N ATOM 2719 H21 GUA A 91 59.487 49.731 43.931 1.00 0.00 SBOX ATOM 2720 H22 GUA A 91 58.034 49.886 44.826 1.00 0.00 SBOX ATOM 2721 N3 GUA A 91 57.656 52.159 44.457 1.00 0.00 SBOX N ATOM 2722 C4 GUA A 91 57.570 53.462 44.056 1.00 0.00 SBOX C ATOM 2723 C3' GUA A 91 56.549 56.485 47.025 1.00 0.00 SBOX C ATOM 2724 H3' GUA A 91 57.123 57.010 46.262 1.00 0.00 SBOX ATOM 2725 C2' GUA A 91 56.998 54.969 46.970 1.00 0.00 SBOX C ATOM 2726 H2'' GUA A 91 58.040 54.808 46.693 1.00 0.00 SBOX ATOM 2727 O2' GUA A 91 56.595 54.228 48.130 1.00 0.00 SBOX O ATOM 2728 H2' GUA A 91 57.351 53.926 48.639 1.00 0.00 SBOX ATOM 2729 O3' GUA A 91 56.614 57.079 48.299 1.00 0.00 SBOX O ATOM 2730 P CYT A 92 58.006 57.448 48.997 1.00 0.00 SBOX P ATOM 2731 O1P CYT A 92 58.553 58.486 48.212 1.00 0.00 SBOX ATOM 2732 O2P CYT A 92 57.802 57.744 50.418 1.00 0.00 SBOX ATOM 2733 O5' CYT A 92 58.914 56.093 48.820 1.00 0.00 SBOX O ATOM 2734 C5' CYT A 92 60.304 56.093 49.064 1.00 0.00 SBOX C ATOM 2735 H5' CYT A 92 60.377 56.326 50.126 1.00 0.00 SBOX ATOM 2736 H5'' CYT A 92 60.860 56.791 48.438 1.00 0.00 SBOX ATOM 2737 C4' CYT A 92 60.732 54.632 48.874 1.00 0.00 SBOX C ATOM 2738 H4' CYT A 92 60.432 54.127 49.792 1.00 0.00 SBOX ATOM 2739 O4' CYT A 92 60.169 53.914 47.763 1.00 0.00 SBOX O ATOM 2740 C1' CYT A 92 61.242 53.305 47.068 1.00 0.00 SBOX C ATOM 2741 H1' CYT A 92 60.861 52.291 46.946 1.00 0.00 SBOX ATOM 2742 N1 CYT A 92 61.520 53.907 45.809 1.00 0.00 SBOX N ATOM 2743 C6 CYT A 92 60.930 55.056 45.418 1.00 0.00 SBOX C ATOM 2744 H6 CYT A 92 60.102 55.454 45.985 1.00 0.00 SBOX ATOM 2745 C5 CYT A 92 61.246 55.622 44.235 1.00 0.00 SBOX C ATOM 2746 H5 CYT A 92 60.753 56.558 44.017 1.00 0.00 SBOX ATOM 2747 C4 CYT A 92 62.304 55.095 43.440 1.00 0.00 SBOX C ATOM 2748 N4 CYT A 92 62.615 55.662 42.367 1.00 0.00 SBOX N ATOM 2749 H41 CYT A 92 63.278 55.119 41.833 1.00 0.00 SBOX ATOM 2750 H42 CYT A 92 62.020 56.395 42.009 1.00 0.00 SBOX ATOM 2751 N3 CYT A 92 62.764 53.866 43.716 1.00 0.00 SBOX N ATOM 2752 C2 CYT A 92 62.271 53.242 44.829 1.00 0.00 SBOX C ATOM 2753 O2 CYT A 92 62.524 52.063 45.035 1.00 0.00 SBOX O ATOM 2754 C3' CYT A 92 62.245 54.541 48.741 1.00 0.00 SBOX C ATOM 2755 H3' CYT A 92 62.566 55.427 48.193 1.00 0.00 SBOX ATOM 2756 C2' CYT A 92 62.448 53.180 48.062 1.00 0.00 SBOX C ATOM 2757 H2'' CYT A 92 63.393 53.143 47.520 1.00 0.00 SBOX ATOM 2758 O2' CYT A 92 62.130 51.950 48.808 1.00 0.00 SBOX O ATOM 2759 H2' CYT A 92 62.518 51.261 48.265 1.00 0.00 SBOX ATOM 2760 O3' CYT A 92 62.800 54.564 50.066 1.00 0.00 SBOX O ATOM 2761 P CYT A 93 64.331 54.673 50.481 1.00 0.00 SBOX P ATOM 2762 O1P CYT A 93 64.897 56.013 50.185 1.00 0.00 SBOX ATOM 2763 O2P CYT A 93 64.393 54.149 51.895 1.00 0.00 SBOX ATOM 2764 O5' CYT A 93 65.214 53.680 49.601 1.00 0.00 SBOX O ATOM 2765 C5' CYT A 93 65.292 52.287 49.866 1.00 0.00 SBOX C ATOM 2766 H5' CYT A 93 64.334 51.796 50.034 1.00 0.00 SBOX ATOM 2767 H5'' CYT A 93 65.986 51.984 50.650 1.00 0.00 SBOX ATOM 2768 C4' CYT A 93 66.052 51.676 48.648 1.00 0.00 SBOX C ATOM 2769 H4' CYT A 93 66.075 50.596 48.792 1.00 0.00 SBOX ATOM 2770 O4' CYT A 93 65.364 51.986 47.440 1.00 0.00 SBOX O ATOM 2771 C1' CYT A 93 66.305 51.935 46.377 1.00 0.00 SBOX C ATOM 2772 H1' CYT A 93 66.034 51.100 45.731 1.00 0.00 SBOX ATOM 2773 N1 CYT A 93 66.251 53.200 45.570 1.00 0.00 SBOX N ATOM 2774 C6 CYT A 93 65.812 54.342 46.237 1.00 0.00 SBOX C ATOM 2775 H6 CYT A 93 65.751 54.438 47.311 1.00 0.00 SBOX ATOM 2776 C5 CYT A 93 65.454 55.436 45.522 1.00 0.00 SBOX C ATOM 2777 H5 CYT A 93 65.174 56.332 46.056 1.00 0.00 SBOX ATOM 2778 C4 CYT A 93 65.621 55.352 44.138 1.00 0.00 SBOX C ATOM 2779 N4 CYT A 93 65.631 56.352 43.439 1.00 0.00 SBOX N ATOM 2780 H41 CYT A 93 65.716 56.135 42.457 1.00 0.00 SBOX ATOM 2781 H42 CYT A 93 65.338 57.243 43.812 1.00 0.00 SBOX ATOM 2782 N3 CYT A 93 65.979 54.316 43.497 1.00 0.00 SBOX N ATOM 2783 C2 CYT A 93 66.246 53.168 44.194 1.00 0.00 SBOX C ATOM 2784 O2 CYT A 93 66.564 52.168 43.565 1.00 0.00 SBOX O ATOM 2785 C3' CYT A 93 67.511 52.177 48.511 1.00 0.00 SBOX C ATOM 2786 H3' CYT A 93 67.445 53.265 48.495 1.00 0.00 SBOX ATOM 2787 C2' CYT A 93 67.677 51.735 47.026 1.00 0.00 SBOX C ATOM 2788 H2'' CYT A 93 68.480 52.345 46.612 1.00 0.00 SBOX ATOM 2789 O2' CYT A 93 68.012 50.321 46.934 1.00 0.00 SBOX O ATOM 2790 H2' CYT A 93 68.039 50.146 45.990 1.00 0.00 SBOX ATOM 2791 O3' CYT A 93 68.356 51.746 49.602 1.00 0.00 SBOX O ATOM 2792 O3' ADE A 94 74.112 51.346 47.399 1.00 0.00 SBOX O ATOM 2793 H3T ADE A 94 74.873 51.645 46.897 1.00 0.00 SBOX ATOM 2794 P ADE A 94 69.796 52.367 49.860 1.00 0.00 SBOX P ATOM 2795 O1P ADE A 94 69.610 53.806 50.186 1.00 0.00 SBOX ATOM 2796 O2P ADE A 94 70.544 51.572 50.876 1.00 0.00 SBOX ATOM 2797 O5' ADE A 94 70.714 52.196 48.567 1.00 0.00 SBOX O ATOM 2798 C5' ADE A 94 71.002 50.896 48.094 1.00 0.00 SBOX C ATOM 2799 H5' ADE A 94 70.106 50.313 47.885 1.00 0.00 SBOX ATOM 2800 H5'' ADE A 94 71.607 50.335 48.808 1.00 0.00 SBOX ATOM 2801 C4' ADE A 94 71.622 50.957 46.735 1.00 0.00 SBOX C ATOM 2802 H4' ADE A 94 71.833 49.927 46.445 1.00 0.00 SBOX ATOM 2803 O4' ADE A 94 70.753 51.466 45.827 1.00 0.00 SBOX O ATOM 2804 C1' ADE A 94 71.553 52.030 44.819 1.00 0.00 SBOX C ATOM 2805 H1' ADE A 94 71.515 51.482 43.877 1.00 0.00 SBOX ATOM 2806 N9 ADE A 94 70.994 53.382 44.677 1.00 0.00 SBOX N ATOM 2807 C8 ADE A 94 70.756 54.242 45.663 1.00 0.00 SBOX C ATOM 2808 H8 ADE A 94 71.096 54.092 46.678 1.00 0.00 SBOX ATOM 2809 N7 ADE A 94 69.980 55.229 45.313 1.00 0.00 SBOX N ATOM 2810 C5 ADE A 94 69.895 55.101 43.926 1.00 0.00 SBOX C ATOM 2811 C6 ADE A 94 69.218 55.821 42.989 1.00 0.00 SBOX C ATOM 2812 N6 ADE A 94 68.532 56.907 43.066 1.00 0.00 SBOX N ATOM 2813 H61 ADE A 94 68.041 57.152 42.217 1.00 0.00 SBOX ATOM 2814 H62 ADE A 94 68.144 57.046 43.988 1.00 0.00 SBOX ATOM 2815 N1 ADE A 94 69.368 55.471 41.731 1.00 0.00 SBOX N ATOM 2816 C2 ADE A 94 70.112 54.404 41.398 1.00 0.00 SBOX C ATOM 2817 H2 ADE A 94 70.100 54.185 40.341 1.00 0.00 SBOX ATOM 2818 N3 ADE A 94 70.649 53.576 42.223 1.00 0.00 SBOX N ATOM 2819 C4 ADE A 94 70.492 53.980 43.525 1.00 0.00 SBOX C ATOM 2820 C3' ADE A 94 72.879 51.818 46.744 1.00 0.00 SBOX C ATOM 2821 H3' ADE A 94 72.650 52.841 47.044 1.00 0.00 SBOX ATOM 2822 C2' ADE A 94 73.020 51.924 45.274 1.00 0.00 SBOX C ATOM 2823 H2'' ADE A 94 73.639 52.779 45.004 1.00 0.00 SBOX ATOM 2824 O2' ADE A 94 73.589 50.829 44.607 1.00 0.00 SBOX O ATOM 2825 H2' ADE A 94 73.656 51.041 43.673 1.00 0.00 SBOX ATOM 2826 OH2 TIP3X 401 57.837 8.707 10.881 1.00 0.00 SOLV O ATOM 2827 H1 TIP3X 401 57.231 8.709 11.622 1.00 0.00 SOLV ATOM 2828 H2 TIP3X 401 57.728 9.569 10.480 1.00 0.00 SOLV ATOM 2829 OH2 TIP3X 402 54.463 64.497 51.020 1.00 0.00 SOLV O ATOM 2830 H1 TIP3X 402 53.651 64.091 51.323 1.00 0.00 SOLV ATOM 2831 H2 TIP3X 402 54.314 65.437 51.121 1.00 0.00 SOLV ATOM 2832 OH2 TIP3X 403 47.688 34.390 6.428 1.00 0.00 SOLV O ATOM 2833 H1 TIP3X 403 47.862 34.731 7.305 1.00 0.00 SOLV ATOM 2834 H2 TIP3X 403 48.091 35.026 5.838 1.00 0.00 SOLV ATOM 2835 OH2 TIP3X 404 85.799 36.757 23.276 1.00 0.00 SOLV O ATOM 2836 H1 TIP3X 404 85.392 36.643 22.418 1.00 0.00 SOLV ATOM 2837 H2 TIP3X 404 86.040 37.683 23.307 1.00 0.00 SOLV ATOM 2838 OH2 TIP3X 405 25.625 79.884 31.857 1.00 0.00 SOLV O ATOM 2839 H1 TIP3X 405 25.328 79.126 32.360 1.00 0.00 SOLV ATOM 2840 H2 TIP3X 405 25.895 79.521 31.014 1.00 0.00 SOLV ATOM 2841 OH2 TIP3X 406 44.413 57.751 28.628 1.00 0.00 SOLV O ATOM 2842 H1 TIP3X 406 43.709 58.249 29.043 1.00 0.00 SOLV ATOM 2843 H2 TIP3X 406 44.828 58.373 28.031 1.00 0.00 SOLV ATOM 2844 OH2 TIP3X 407 27.753 39.428 25.542 1.00 0.00 SOLV O ATOM 2845 H1 TIP3X 407 28.303 40.209 25.596 1.00 0.00 SOLV ATOM 2846 H2 TIP3X 407 27.828 39.143 24.632 1.00 0.00 SOLV ATOM 2847 OH2 TIP3X 408 85.740 52.768 4.607 1.00 0.00 SOLV O ATOM 2848 H1 TIP3X 408 86.293 52.029 4.862 1.00 0.00 SOLV ATOM 2849 H2 TIP3X 408 85.382 53.095 5.433 1.00 0.00 SOLV ATOM 2850 OH2 TIP3X 409 55.478 48.479 21.169 1.00 0.00 SOLV O ATOM 2851 H1 TIP3X 409 56.083 48.379 20.434 1.00 0.00 SOLV ATOM 2852 H2 TIP3X 409 54.741 47.908 20.953 1.00 0.00 SOLV ATOM 2853 OH2 TIP3X 410 60.022 89.789 -6.040 1.00 0.00 SOLV O ATOM 2854 H1 TIP3X 410 59.168 89.775 -5.607 1.00 0.00 SOLV ATOM 2855 H2 TIP3X 410 59.879 89.331 -6.869 1.00 0.00 SOLV ATOM 2856 OH2 TIP3X 411 61.863 22.330 38.570 1.00 0.00 SOLV O ATOM 2857 H1 TIP3X 411 61.157 22.902 38.267 1.00 0.00 SOLV ATOM 2858 H2 TIP3X 411 61.804 21.558 38.008 1.00 0.00 SOLV ATOM 2859 OH2 TIP3X 412 77.530 21.193 -0.119 1.00 0.00 SOLV O ATOM 2860 H1 TIP3X 412 77.188 20.300 -0.102 1.00 0.00 SOLV ATOM 2861 H2 TIP3X 412 78.186 21.186 -0.816 1.00 0.00 SOLV ATOM 2862 OH2 TIP3X 413 56.892 35.311 24.189 1.00 0.00 SOLV O ATOM 2863 H1 TIP3X 413 56.427 35.159 25.012 1.00 0.00 SOLV ATOM 2864 H2 TIP3X 413 56.230 35.679 23.604 1.00 0.00 SOLV ATOM 2865 OH2 TIP3X 415 51.943 54.774 26.033 1.00 0.00 SOLV O ATOM 2866 H1 TIP3X 415 52.314 53.903 26.170 1.00 0.00 SOLV ATOM 2867 H2 TIP3X 415 51.842 54.846 25.084 1.00 0.00 SOLV ATOM 2868 OH2 TIP3X 416 29.499 62.886 -12.807 1.00 0.00 SOLV O ATOM 2869 H1 TIP3X 416 29.065 62.482 -12.055 1.00 0.00 SOLV ATOM 2870 H2 TIP3X 416 29.531 62.192 -13.466 1.00 0.00 SOLV ATOM 2871 OH2 TIP3X 417 52.079 45.998 47.180 1.00 0.00 SOLV O ATOM 2872 H1 TIP3X 417 52.756 46.674 47.175 1.00 0.00 SOLV ATOM 2873 H2 TIP3X 417 52.514 45.220 46.832 1.00 0.00 SOLV ATOM 2874 OH2 TIP3X 418 31.454 55.055 27.504 1.00 0.00 SOLV O ATOM 2875 H1 TIP3X 418 32.077 55.743 27.270 1.00 0.00 SOLV ATOM 2876 H2 TIP3X 418 31.683 54.320 26.936 1.00 0.00 SOLV ATOM 2877 OH2 TIP3X 419 58.079 37.091 15.280 1.00 0.00 SOLV O ATOM 2878 H1 TIP3X 419 58.156 38.045 15.315 1.00 0.00 SOLV ATOM 2879 H2 TIP3X 419 57.616 36.859 16.085 1.00 0.00 SOLV ATOM 2880 OH2 TIP3X 420 45.316 52.319 19.174 1.00 0.00 SOLV O ATOM 2881 H1 TIP3X 420 46.204 51.969 19.108 1.00 0.00 SOLV ATOM 2882 H2 TIP3X 420 45.054 52.482 18.268 1.00 0.00 SOLV ATOM 2883 OH2 TIP3X 421 47.830 32.108 42.390 1.00 0.00 SOLV O ATOM 2884 H1 TIP3X 421 48.764 32.200 42.201 1.00 0.00 SOLV ATOM 2885 H2 TIP3X 421 47.628 32.848 42.963 1.00 0.00 SOLV ATOM 2886 OH2 TIP3X 422 26.505 76.892 45.995 1.00 0.00 SOLV O ATOM 2887 H1 TIP3X 422 27.213 77.095 46.606 1.00 0.00 SOLV ATOM 2888 H2 TIP3X 422 26.875 77.073 45.130 1.00 0.00 SOLV ATOM 2889 OH2 TIP3X 423 50.551 54.593 54.964 1.00 0.00 SOLV O ATOM 2890 H1 TIP3X 423 49.744 54.158 54.688 1.00 0.00 SOLV ATOM 2891 H2 TIP3X 423 50.379 55.525 54.827 1.00 0.00 SOLV ATOM 2892 OH2 TIP3X 424 69.717 48.246 22.054 1.00 0.00 SOLV O ATOM 2893 H1 TIP3X 424 69.330 48.803 21.378 1.00 0.00 SOLV ATOM 2894 H2 TIP3X 424 70.038 48.860 22.715 1.00 0.00 SOLV ATOM 2895 OH2 TIP3X 425 26.666 10.464 -8.991 1.00 0.00 SOLV O ATOM 2896 H1 TIP3X 425 26.569 9.805 -9.678 1.00 0.00 SOLV ATOM 2897 H2 TIP3X 425 25.787 10.555 -8.621 1.00 0.00 SOLV ATOM 2898 OH2 TIP3X 426 24.849 25.926 65.968 1.00 0.00 SOLV O ATOM 2899 H1 TIP3X 426 24.269 26.298 65.304 1.00 0.00 SOLV ATOM 2900 H2 TIP3X 426 25.296 25.206 65.521 1.00 0.00 SOLV ATOM 2901 OH2 TIP3X 427 44.285 24.445 13.389 1.00 0.00 SOLV O ATOM 2902 H1 TIP3X 427 44.262 25.397 13.488 1.00 0.00 SOLV ATOM 2903 H2 TIP3X 427 45.184 24.252 13.124 1.00 0.00 SOLV ATOM 2904 OH2 TIP3X 428 71.007 26.131 17.236 1.00 0.00 SOLV O ATOM 2905 H1 TIP3X 428 70.761 26.177 16.313 1.00 0.00 SOLV ATOM 2906 H2 TIP3X 428 70.715 26.965 17.604 1.00 0.00 SOLV ATOM 2907 OH2 TIP3X 429 71.197 32.765 20.770 1.00 0.00 SOLV O ATOM 2908 H1 TIP3X 429 71.389 33.664 20.506 1.00 0.00 SOLV ATOM 2909 H2 TIP3X 429 70.396 32.833 21.290 1.00 0.00 SOLV ATOM 2910 OH2 TIP3X 430 61.032 40.691 -9.526 1.00 0.00 SOLV O ATOM 2911 H1 TIP3X 430 61.172 41.522 -9.071 1.00 0.00 SOLV ATOM 2912 H2 TIP3X 430 60.788 40.077 -8.834 1.00 0.00 SOLV ATOM 2913 OH2 TIP3X 431 23.961 9.042 36.714 1.00 0.00 SOLV O ATOM 2914 H1 TIP3X 431 23.284 8.535 36.264 1.00 0.00 SOLV ATOM 2915 H2 TIP3X 431 24.532 9.356 36.013 1.00 0.00 SOLV ATOM 2916 OH2 TIP3X 432 32.997 28.132 27.694 1.00 0.00 SOLV O ATOM 2917 H1 TIP3X 432 33.136 28.102 28.641 1.00 0.00 SOLV ATOM 2918 H2 TIP3X 432 33.825 28.457 27.340 1.00 0.00 SOLV ATOM 2919 OH2 TIP3X 433 81.533 30.985 -16.339 1.00 0.00 SOLV O ATOM 2920 H1 TIP3X 433 81.373 30.350 -15.641 1.00 0.00 SOLV ATOM 2921 H2 TIP3X 433 81.529 30.465 -17.143 1.00 0.00 SOLV ATOM 2922 OH2 TIP3X 434 77.504 64.285 31.567 1.00 0.00 SOLV O ATOM 2923 H1 TIP3X 434 77.402 65.181 31.887 1.00 0.00 SOLV ATOM 2924 H2 TIP3X 434 76.777 63.805 31.963 1.00 0.00 SOLV ATOM 2925 OH2 TIP3X 435 68.249 13.028 54.889 1.00 0.00 SOLV O ATOM 2926 H1 TIP3X 435 68.055 13.273 55.794 1.00 0.00 SOLV ATOM 2927 H2 TIP3X 435 68.004 13.798 54.375 1.00 0.00 SOLV ATOM 2928 OH2 TIP3X 436 54.854 36.326 22.309 1.00 0.00 SOLV O ATOM 2929 H1 TIP3X 436 54.461 35.629 21.783 1.00 0.00 SOLV ATOM 2930 H2 TIP3X 436 54.523 37.135 21.919 1.00 0.00 SOLV ATOM 2931 OH2 TIP3X 437 63.065 28.765 29.979 1.00 0.00 SOLV O ATOM 2932 H1 TIP3X 437 62.645 29.594 29.748 1.00 0.00 SOLV ATOM 2933 H2 TIP3X 437 62.666 28.122 29.394 1.00 0.00 SOLV ATOM 2934 OH2 TIP3X 438 42.869 55.670 -3.434 1.00 0.00 SOLV O ATOM 2935 H1 TIP3X 438 43.539 56.351 -3.367 1.00 0.00 SOLV ATOM 2936 H2 TIP3X 438 43.043 55.089 -2.693 1.00 0.00 SOLV ATOM 2937 OH2 TIP3X 439 90.119 10.991 -0.997 1.00 0.00 SOLV O ATOM 2938 H1 TIP3X 439 90.162 10.105 -1.356 1.00 0.00 SOLV ATOM 2939 H2 TIP3X 439 89.205 11.098 -0.731 1.00 0.00 SOLV ATOM 2940 OH2 TIP3X 440 44.732 69.938 18.186 1.00 0.00 SOLV O ATOM 2941 H1 TIP3X 440 44.905 69.107 17.742 1.00 0.00 SOLV ATOM 2942 H2 TIP3X 440 44.522 69.689 19.086 1.00 0.00 SOLV ATOM 2943 OH2 TIP3X 441 49.637 55.344 20.140 1.00 0.00 SOLV O ATOM 2944 H1 TIP3X 441 50.007 54.944 19.353 1.00 0.00 SOLV ATOM 2945 H2 TIP3X 441 50.229 56.067 20.344 1.00 0.00 SOLV ATOM 2946 OH2 TIP3X 442 28.892 6.844 28.865 1.00 0.00 SOLV O ATOM 2947 H1 TIP3X 442 29.210 7.745 28.928 1.00 0.00 SOLV ATOM 2948 H2 TIP3X 442 28.423 6.812 28.032 1.00 0.00 SOLV ATOM 2949 OH2 TIP3X 443 49.135 53.203 21.466 1.00 0.00 SOLV O ATOM 2950 H1 TIP3X 443 49.405 53.995 21.001 1.00 0.00 SOLV ATOM 2951 H2 TIP3X 443 49.566 52.490 20.995 1.00 0.00 SOLV ATOM 2952 OH2 TIP3X 444 26.153 20.269 -12.834 1.00 0.00 SOLV O ATOM 2953 H1 TIP3X 444 26.876 20.877 -12.678 1.00 0.00 SOLV ATOM 2954 H2 TIP3X 444 25.366 20.774 -12.625 1.00 0.00 SOLV ATOM 2955 OH2 TIP3X 445 70.121 51.292 16.529 1.00 0.00 SOLV O ATOM 2956 H1 TIP3X 445 69.434 50.826 17.005 1.00 0.00 SOLV ATOM 2957 H2 TIP3X 445 69.744 52.151 16.341 1.00 0.00 SOLV ATOM 2958 OH2 TIP3X 446 79.475 0.507 42.765 1.00 0.00 SOLV O ATOM 2959 H1 TIP3X 446 78.648 0.906 43.035 1.00 0.00 SOLV ATOM 2960 H2 TIP3X 446 79.522 0.665 41.823 1.00 0.00 SOLV ATOM 2961 OH2 TIP3X 447 54.436 29.954 19.271 1.00 0.00 SOLV O ATOM 2962 H1 TIP3X 447 54.104 30.845 19.386 1.00 0.00 SOLV ATOM 2963 H2 TIP3X 447 54.636 29.656 20.158 1.00 0.00 SOLV ATOM 2964 OH2 TIP3X 448 60.721 51.805 -3.908 1.00 0.00 SOLV O ATOM 2965 H1 TIP3X 448 60.133 51.230 -4.397 1.00 0.00 SOLV ATOM 2966 H2 TIP3X 448 60.173 52.178 -3.217 1.00 0.00 SOLV ATOM 2967 OH2 TIP3X 449 66.958 51.899 55.550 1.00 0.00 SOLV O ATOM 2968 H1 TIP3X 449 67.654 52.503 55.291 1.00 0.00 SOLV ATOM 2969 H2 TIP3X 449 66.361 52.432 56.076 1.00 0.00 SOLV ATOM 2970 OH2 TIP3X 450 34.114 89.169 8.814 1.00 0.00 SOLV O ATOM 2971 H1 TIP3X 450 34.969 88.918 8.466 1.00 0.00 SOLV ATOM 2972 H2 TIP3X 450 34.294 89.462 9.707 1.00 0.00 SOLV ATOM 2973 OH2 TIP3X 451 41.001 63.073 64.016 1.00 0.00 SOLV O ATOM 2974 H1 TIP3X 451 41.736 63.628 63.752 1.00 0.00 SOLV ATOM 2975 H2 TIP3X 451 41.322 62.598 64.782 1.00 0.00 SOLV ATOM 2976 OH2 TIP3X 452 65.286 78.035 66.740 1.00 0.00 SOLV O ATOM 2977 H1 TIP3X 452 66.213 77.985 66.977 1.00 0.00 SOLV ATOM 2978 H2 TIP3X 452 64.864 78.431 67.502 1.00 0.00 SOLV ATOM 2979 OH2 TIP3X 453 56.552 71.221 25.838 1.00 0.00 SOLV O ATOM 2980 H1 TIP3X 453 56.060 71.617 25.118 1.00 0.00 SOLV ATOM 2981 H2 TIP3X 453 57.155 70.614 25.411 1.00 0.00 SOLV ATOM 2982 OH2 TIP3X 454 57.616 50.731 22.837 1.00 0.00 SOLV O ATOM 2983 H1 TIP3X 454 57.270 50.659 21.948 1.00 0.00 SOLV ATOM 2984 H2 TIP3X 454 56.861 50.979 23.370 1.00 0.00 SOLV ATOM 2985 OH2 TIP3X 455 54.536 56.293 21.870 1.00 0.00 SOLV O ATOM 2986 H1 TIP3X 455 55.045 56.671 22.587 1.00 0.00 SOLV ATOM 2987 H2 TIP3X 455 54.007 57.020 21.542 1.00 0.00 SOLV ATOM 2988 OH2 TIP3X 456 35.463 34.513 36.549 1.00 0.00 SOLV O ATOM 2989 H1 TIP3X 456 36.118 34.981 36.030 1.00 0.00 SOLV ATOM 2990 H2 TIP3X 456 34.637 34.951 36.344 1.00 0.00 SOLV ATOM 2991 OH2 TIP3X 457 64.945 26.371 11.532 1.00 0.00 SOLV O ATOM 2992 H1 TIP3X 457 64.633 26.684 12.381 1.00 0.00 SOLV ATOM 2993 H2 TIP3X 457 64.624 27.019 10.905 1.00 0.00 SOLV ATOM 2994 OH2 TIP3X 458 49.469 20.850 47.234 1.00 0.00 SOLV O ATOM 2995 H1 TIP3X 458 49.445 19.979 47.629 1.00 0.00 SOLV ATOM 2996 H2 TIP3X 458 49.415 20.688 46.292 1.00 0.00 SOLV ATOM 2997 OH2 TIP3X 459 48.666 53.544 24.159 1.00 0.00 SOLV O ATOM 2998 H1 TIP3X 459 48.312 54.323 23.730 1.00 0.00 SOLV ATOM 2999 H2 TIP3X 459 49.551 53.456 23.804 1.00 0.00 SOLV ATOM 3000 OH2 TIP3X 460 62.734 46.170 32.328 1.00 0.00 SOLV O ATOM 3001 H1 TIP3X 460 62.618 45.370 31.815 1.00 0.00 SOLV ATOM 3002 H2 TIP3X 460 62.286 46.847 31.822 1.00 0.00 SOLV ATOM 3003 OH2 TIP3X 461 76.028 67.418 16.569 1.00 0.00 SOLV O ATOM 3004 H1 TIP3X 461 75.115 67.493 16.292 1.00 0.00 SOLV ATOM 3005 H2 TIP3X 461 76.200 66.477 16.580 1.00 0.00 SOLV ATOM 3006 OH2 TIP3X 462 79.207 49.859 31.114 1.00 0.00 SOLV O ATOM 3007 H1 TIP3X 462 78.787 50.269 30.358 1.00 0.00 SOLV ATOM 3008 H2 TIP3X 462 79.794 50.534 31.456 1.00 0.00 SOLV ATOM 3009 OH2 TIP3X 463 44.653 67.020 18.028 1.00 0.00 SOLV O ATOM 3010 H1 TIP3X 463 43.933 66.913 17.406 1.00 0.00 SOLV ATOM 3011 H2 TIP3X 463 44.672 66.198 18.518 1.00 0.00 SOLV ATOM 3012 OH2 TIP3X 464 27.437 15.832 -0.783 1.00 0.00 SOLV O ATOM 3013 H1 TIP3X 464 26.483 15.755 -0.802 1.00 0.00 SOLV ATOM 3014 H2 TIP3X 464 27.611 16.723 -1.085 1.00 0.00 SOLV ATOM 3015 OH2 TIP3X 465 79.363 63.377 61.573 1.00 0.00 SOLV O ATOM 3016 H1 TIP3X 465 78.413 63.291 61.490 1.00 0.00 SOLV ATOM 3017 H2 TIP3X 465 79.592 62.812 62.312 1.00 0.00 SOLV ATOM 3018 OH2 TIP3X 466 28.936 40.919 17.346 1.00 0.00 SOLV O ATOM 3019 H1 TIP3X 466 29.712 41.478 17.397 1.00 0.00 SOLV ATOM 3020 H2 TIP3X 466 28.200 41.519 17.459 1.00 0.00 SOLV ATOM 3021 OH2 TIP3X 467 56.166 40.762 32.778 1.00 0.00 SOLV O ATOM 3022 H1 TIP3X 467 55.388 40.243 32.977 1.00 0.00 SOLV ATOM 3023 H2 TIP3X 467 55.824 41.578 32.412 1.00 0.00 SOLV ATOM 3024 OH2 TIP3X 468 33.624 29.198 42.720 1.00 0.00 SOLV O ATOM 3025 H1 TIP3X 468 34.255 29.918 42.730 1.00 0.00 SOLV ATOM 3026 H2 TIP3X 468 32.863 29.552 42.260 1.00 0.00 SOLV ATOM 3027 OH2 TIP3X 469 52.642 45.395 10.211 1.00 0.00 SOLV O ATOM 3028 H1 TIP3X 469 53.496 45.738 9.946 1.00 0.00 SOLV ATOM 3029 H2 TIP3X 469 52.510 45.736 11.095 1.00 0.00 SOLV ATOM 3030 OH2 TIP3X 470 25.200 21.443 37.073 1.00 0.00 SOLV O ATOM 3031 H1 TIP3X 470 25.411 21.275 37.992 1.00 0.00 SOLV ATOM 3032 H2 TIP3X 470 25.448 22.357 36.934 1.00 0.00 SOLV ATOM 3033 OH2 TIP3X 471 84.424 15.632 63.416 1.00 0.00 SOLV O ATOM 3034 H1 TIP3X 471 83.844 15.102 62.868 1.00 0.00 SOLV ATOM 3035 H2 TIP3X 471 84.316 15.274 64.297 1.00 0.00 SOLV ATOM 3036 OH2 TIP3X 472 48.240 42.916 25.813 1.00 0.00 SOLV O ATOM 3037 H1 TIP3X 472 47.746 42.892 24.994 1.00 0.00 SOLV ATOM 3038 H2 TIP3X 472 49.157 42.907 25.541 1.00 0.00 SOLV ATOM 3039 OH2 TIP3X 473 34.001 75.116 -15.395 1.00 0.00 SOLV O ATOM 3040 H1 TIP3X 473 33.332 74.960 -14.729 1.00 0.00 SOLV ATOM 3041 H2 TIP3X 473 33.840 76.011 -15.693 1.00 0.00 SOLV ATOM 3042 OH2 TIP3X 474 58.015 55.146 32.979 1.00 0.00 SOLV O ATOM 3043 H1 TIP3X 474 57.481 55.921 33.156 1.00 0.00 SOLV ATOM 3044 H2 TIP3X 474 58.131 55.147 32.029 1.00 0.00 SOLV ATOM 3045 OH2 TIP3X 475 32.577 61.924 11.092 1.00 0.00 SOLV O ATOM 3046 H1 TIP3X 475 32.776 62.053 12.019 1.00 0.00 SOLV ATOM 3047 H2 TIP3X 475 33.424 62.000 10.652 1.00 0.00 SOLV ATOM 3048 OH2 TIP3X 476 73.396 33.761 -15.073 1.00 0.00 SOLV O ATOM 3049 H1 TIP3X 476 74.124 33.698 -14.455 1.00 0.00 SOLV ATOM 3050 H2 TIP3X 476 73.668 34.434 -15.697 1.00 0.00 SOLV ATOM 3051 OH2 TIP3X 477 45.962 69.610 -8.843 1.00 0.00 SOLV O ATOM 3052 H1 TIP3X 477 45.009 69.671 -8.909 1.00 0.00 SOLV ATOM 3053 H2 TIP3X 477 46.116 68.885 -8.237 1.00 0.00 SOLV ATOM 3054 OH2 TIP3X 478 21.146 76.991 11.385 1.00 0.00 SOLV O ATOM 3055 H1 TIP3X 478 20.295 77.122 11.804 1.00 0.00 SOLV ATOM 3056 H2 TIP3X 478 21.764 76.919 12.113 1.00 0.00 SOLV ATOM 3057 OH2 TIP3X 479 40.824 50.579 29.973 1.00 0.00 SOLV O ATOM 3058 H1 TIP3X 479 40.561 50.070 29.206 1.00 0.00 SOLV ATOM 3059 H2 TIP3X 479 41.127 51.413 29.614 1.00 0.00 SOLV ATOM 3060 OH2 TIP3X 480 52.080 55.826 16.477 1.00 0.00 SOLV O ATOM 3061 H1 TIP3X 480 51.377 55.335 16.902 1.00 0.00 SOLV ATOM 3062 H2 TIP3X 480 52.800 55.199 16.404 1.00 0.00 SOLV ATOM 3063 OH2 TIP3X 481 74.498 4.078 41.758 1.00 0.00 SOLV O ATOM 3064 H1 TIP3X 481 75.313 4.434 42.113 1.00 0.00 SOLV ATOM 3065 H2 TIP3X 481 73.920 3.999 42.517 1.00 0.00 SOLV ATOM 3066 OH2 TIP3X 482 67.896 86.402 58.920 1.00 0.00 SOLV O ATOM 3067 H1 TIP3X 482 67.327 85.727 58.549 1.00 0.00 SOLV ATOM 3068 H2 TIP3X 482 67.692 87.190 58.417 1.00 0.00 SOLV ATOM 3069 OH2 TIP3X 483 84.260 64.576 27.943 1.00 0.00 SOLV O ATOM 3070 H1 TIP3X 483 83.895 64.853 27.103 1.00 0.00 SOLV ATOM 3071 H2 TIP3X 483 84.108 63.631 27.971 1.00 0.00 SOLV ATOM 3072 OH2 TIP3X 484 36.484 86.419 61.004 1.00 0.00 SOLV O ATOM 3073 H1 TIP3X 484 35.565 86.504 61.260 1.00 0.00 SOLV ATOM 3074 H2 TIP3X 484 36.846 85.782 61.620 1.00 0.00 SOLV ATOM 3075 OH2 TIP3X 485 66.906 68.476 45.782 1.00 0.00 SOLV O ATOM 3076 H1 TIP3X 485 66.026 68.122 45.915 1.00 0.00 SOLV ATOM 3077 H2 TIP3X 485 67.228 68.029 44.999 1.00 0.00 SOLV ATOM 3078 OH2 TIP3X 486 30.157 30.203 35.368 1.00 0.00 SOLV O ATOM 3079 H1 TIP3X 486 29.382 30.736 35.192 1.00 0.00 SOLV ATOM 3080 H2 TIP3X 486 30.833 30.836 35.614 1.00 0.00 SOLV ATOM 3081 OH2 TIP3X 487 41.620 51.196 26.983 1.00 0.00 SOLV O ATOM 3082 H1 TIP3X 487 41.115 51.733 26.372 1.00 0.00 SOLV ATOM 3083 H2 TIP3X 487 42.352 50.865 26.462 1.00 0.00 SOLV ATOM 3084 OH2 TIP3X 488 22.243 60.151 -14.610 1.00 0.00 SOLV O ATOM 3085 H1 TIP3X 488 22.638 61.003 -14.426 1.00 0.00 SOLV ATOM 3086 H2 TIP3X 488 22.344 59.658 -13.796 1.00 0.00 SOLV ATOM 3087 OH2 TIP3X 489 48.983 44.488 37.324 1.00 0.00 SOLV O ATOM 3088 H1 TIP3X 489 48.874 45.096 36.593 1.00 0.00 SOLV ATOM 3089 H2 TIP3X 489 49.252 45.041 38.058 1.00 0.00 SOLV ATOM 3090 MG MG X 205 44.859 52.390 21.207 1.00 0.00 IONSMG ATOM 3091 MG MG X 206 57.785 41.154 33.918 1.00 0.00 IONSMG ATOM 3092 C4' SAM X 301 49.109 54.444 31.768 1.00 0.00 SAM C ATOM 3093 H4' SAM X 301 49.749 53.616 32.085 1.00 0.00 SAM ATOM 3094 O4' SAM X 301 49.756 55.742 31.764 1.00 0.00 SAM O ATOM 3095 C1' SAM X 301 49.498 56.496 32.957 1.00 0.00 SAM C ATOM 3096 H1' SAM X 301 50.431 56.636 33.523 1.00 0.00 SAM ATOM 3097 N9 SAM X 301 49.002 57.814 32.610 1.00 0.00 SAM N ATOM 3098 C5 SAM X 301 47.856 59.459 31.823 1.00 0.00 SAM C ATOM 3099 N7 SAM X 301 49.078 59.999 32.010 1.00 0.00 SAM N ATOM 3100 C8 SAM X 301 49.762 58.901 32.436 1.00 0.00 SAM C ATOM 3101 H8 SAM X 301 50.764 58.961 32.831 1.00 0.00 SAM ATOM 3102 N1 SAM X 301 45.540 59.410 30.988 1.00 0.00 SAM N ATOM 3103 C2 SAM X 301 45.539 58.133 31.446 1.00 0.00 SAM C ATOM 3104 H2 SAM X 301 44.584 57.617 31.457 1.00 0.00 SAM ATOM 3105 N3 SAM X 301 46.622 57.490 32.000 1.00 0.00 SAM N ATOM 3106 C4 SAM X 301 47.768 58.130 32.193 1.00 0.00 SAM C ATOM 3107 C6 SAM X 301 46.693 59.969 31.180 1.00 0.00 SAM C ATOM 3108 N6 SAM X 301 46.871 61.142 30.594 1.00 0.00 SAM N ATOM 3109 H61 SAM X 301 47.497 61.715 31.149 1.00 0.00 SAM ATOM 3110 H62 SAM X 301 45.937 61.516 30.467 1.00 0.00 SAM ATOM 3111 C2' SAM X 301 48.473 55.590 33.727 1.00 0.00 SAM C ATOM 3112 H2'' SAM X 301 47.599 56.124 34.109 1.00 0.00 SAM ATOM 3113 O2' SAM X 301 49.275 54.894 34.762 1.00 0.00 SAM O ATOM 3114 H2' SAM X 301 50.067 54.608 34.301 1.00 0.00 SAM ATOM 3115 N SAM X 301 48.800 59.156 28.709 1.00 0.00 SAM N ATOM 3116 HT1 SAM X 301 49.794 59.294 28.952 1.00 0.00 SAM ATOM 3117 HT2 SAM X 301 48.593 60.050 28.235 1.00 0.00 SAM ATOM 3118 HT3 SAM X 301 48.305 59.266 29.609 1.00 0.00 SAM ATOM 3119 CA SAM X 301 48.498 58.020 27.737 1.00 0.00 SAM C ATOM 3120 HA SAM X 301 49.292 58.103 26.992 1.00 0.00 SAM ATOM 3121 CB SAM X 301 48.536 56.707 28.560 1.00 0.00 SAM C ATOM 3122 HB1 SAM X 301 47.945 56.755 29.478 1.00 0.00 SAM ATOM 3123 HB2 SAM X 301 47.986 56.003 27.932 1.00 0.00 SAM ATOM 3124 CG SAM X 301 49.961 56.079 28.762 1.00 0.00 SAM C ATOM 3125 HG1 SAM X 301 50.460 56.121 27.791 1.00 0.00 SAM ATOM 3126 HG2 SAM X 301 50.673 56.470 29.493 1.00 0.00 SAM ATOM 3127 SD SAM X 301 49.877 54.289 29.083 1.00 0.00 SAM S ATOM 3128 C5' SAM X 301 48.577 54.135 30.353 1.00 0.00 SAM C ATOM 3129 H5' SAM X 301 48.245 53.094 30.325 1.00 0.00 SAM ATOM 3130 H5'' SAM X 301 47.720 54.765 30.105 1.00 0.00 SAM ATOM 3131 CE SAM X 301 49.151 53.486 27.605 1.00 0.00 SAM C ATOM 3132 HE1 SAM X 301 49.626 53.666 26.638 1.00 0.00 SAM ATOM 3133 HE2 SAM X 301 48.065 53.602 27.627 1.00 0.00 SAM ATOM 3134 HE3 SAM X 301 49.242 52.399 27.668 1.00 0.00 SAM ATOM 3135 C3' SAM X 301 47.931 54.565 32.732 1.00 0.00 SAM C ATOM 3136 H3' SAM X 301 47.099 54.984 32.159 1.00 0.00 SAM ATOM 3137 O3' SAM X 301 47.624 53.297 33.260 1.00 0.00 SAM O ATOM 3138 H3T SAM X 301 46.692 53.346 33.483 1.00 0.00 SAM ATOM 3139 C SAM X 301 47.221 58.055 26.960 1.00 0.00 SAM C ATOM 3140 OXT SAM X 301 46.609 59.119 26.976 1.00 0.00 SAM O ATOM 3141 O SAM X 301 46.963 57.260 26.105 1.00 0.00 SAM O ATOM 3142 OH2 TIP3 1 25.978 96.979 10.311 1.00 0.00 WT1 O ATOM 3143 H1 TIP3 1 26.027 96.610 9.429 1.00 0.00 WT1 H ATOM 3144 H2 TIP3 1 25.371 96.405 10.778 1.00 0.00 WT1 H ATOM 3145 OH2 TIP3 2 29.167 21.077 56.279 1.00 0.00 WT1 O ATOM 3146 H1 TIP3 2 28.784 21.874 56.644 1.00 0.00 WT1 H ATOM 3147 H2 TIP3 2 30.104 21.157 56.457 1.00 0.00 WT1 H ATOM 3148 OH2 TIP3 3 86.505 85.545 35.606 1.00 0.00 WT1 O ATOM 3149 H1 TIP3 3 86.822 84.731 35.216 1.00 0.00 WT1 H ATOM 3150 H2 TIP3 3 85.606 85.630 35.289 1.00 0.00 WT1 H ATOM 3151 OH2 TIP3 4 83.480 86.057 11.880 1.00 0.00 WT1 O ATOM 3152 H1 TIP3 4 84.318 86.475 11.686 1.00 0.00 WT1 H ATOM 3153 H2 TIP3 4 83.203 86.446 12.709 1.00 0.00 WT1 H ATOM 3154 OH2 TIP3 5 90.661 7.800 58.013 1.00 0.00 WT1 O ATOM 3155 H1 TIP3 5 89.794 8.205 58.044 1.00 0.00 WT1 H ATOM 3156 H2 TIP3 5 90.485 6.865 57.906 1.00 0.00 WT1 H ATOM 3157 OH2 TIP3 6 49.077 8.442 -5.054 1.00 0.00 WT1 O ATOM 3158 H1 TIP3 6 49.440 8.748 -4.222 1.00 0.00 WT1 H ATOM 3159 H2 TIP3 6 48.269 8.943 -5.161 1.00 0.00 WT1 H ATOM 3160 OH2 TIP3 7 71.650 79.270 35.968 1.00 0.00 WT1 O ATOM 3161 H1 TIP3 7 71.671 78.326 36.122 1.00 0.00 WT1 H ATOM 3162 H2 TIP3 7 70.759 79.445 35.666 1.00 0.00 WT1 H ATOM 3163 OH2 TIP3 8 66.952 13.441 5.926 1.00 0.00 WT1 O ATOM 3164 H1 TIP3 8 67.519 13.949 6.507 1.00 0.00 WT1 H ATOM 3165 H2 TIP3 8 66.918 13.953 5.118 1.00 0.00 WT1 H ATOM 3166 OH2 TIP3 9 37.453 14.634 -5.752 1.00 0.00 WT1 O ATOM 3167 H1 TIP3 9 37.085 15.058 -6.528 1.00 0.00 WT1 H ATOM 3168 H2 TIP3 9 37.160 13.725 -5.814 1.00 0.00 WT1 H ATOM 3169 OH2 TIP3 10 22.015 91.031 19.229 1.00 0.00 WT1 O ATOM 3170 H1 TIP3 10 22.669 91.037 18.530 1.00 0.00 WT1 H ATOM 3171 H2 TIP3 10 21.969 91.941 19.523 1.00 0.00 WT1 H ATOM 3172 OH2 TIP3 11 37.124 47.038 12.533 1.00 0.00 WT1 O ATOM 3173 H1 TIP3 11 37.476 46.658 13.338 1.00 0.00 WT1 H ATOM 3174 H2 TIP3 11 37.715 47.763 12.331 1.00 0.00 WT1 H ATOM 3175 OH2 TIP3 12 50.507 32.473 41.481 1.00 0.00 WT1 O ATOM 3176 H1 TIP3 12 50.918 33.072 40.857 1.00 0.00 WT1 H ATOM 3177 H2 TIP3 12 50.491 31.630 41.029 1.00 0.00 WT1 H ATOM 3178 OH2 TIP3 13 48.974 94.272 -10.997 1.00 0.00 WT1 O ATOM 3179 H1 TIP3 13 48.784 93.516 -11.553 1.00 0.00 WT1 H ATOM 3180 H2 TIP3 13 48.700 95.027 -11.518 1.00 0.00 WT1 H ATOM 3181 OH2 TIP3 14 34.527 60.815 43.713 1.00 0.00 WT1 O ATOM 3182 H1 TIP3 14 34.298 60.401 42.881 1.00 0.00 WT1 H ATOM 3183 H2 TIP3 14 35.196 61.461 43.484 1.00 0.00 WT1 H ATOM 3184 OH2 TIP3 15 36.689 21.798 41.620 1.00 0.00 WT1 O ATOM 3185 H1 TIP3 15 36.719 21.722 40.667 1.00 0.00 WT1 H ATOM 3186 H2 TIP3 15 37.273 21.107 41.935 1.00 0.00 WT1 H ATOM 3187 OH2 TIP3 16 29.982 53.971 20.756 1.00 0.00 WT1 O ATOM 3188 H1 TIP3 16 30.024 54.875 21.067 1.00 0.00 WT1 H ATOM 3189 H2 TIP3 16 30.696 53.902 20.122 1.00 0.00 WT1 H ATOM 3190 OH2 TIP3 17 82.983 5.520 38.313 1.00 0.00 WT1 O ATOM 3191 H1 TIP3 17 83.810 5.767 38.727 1.00 0.00 WT1 H ATOM 3192 H2 TIP3 17 83.047 5.869 37.424 1.00 0.00 WT1 H ATOM 3193 OH2 TIP3 18 64.687 93.719 42.397 1.00 0.00 WT1 O ATOM 3194 H1 TIP3 18 64.728 93.253 41.562 1.00 0.00 WT1 H ATOM 3195 H2 TIP3 18 63.770 93.979 42.482 1.00 0.00 WT1 H ATOM 3196 OH2 TIP3 19 32.093 9.908 37.447 1.00 0.00 WT1 O ATOM 3197 H1 TIP3 19 31.648 10.756 37.459 1.00 0.00 WT1 H ATOM 3198 H2 TIP3 19 31.385 9.266 37.396 1.00 0.00 WT1 H ATOM 3199 OH2 TIP3 20 34.519 49.463 32.405 1.00 0.00 WT1 O ATOM 3200 H1 TIP3 20 35.337 49.790 32.031 1.00 0.00 WT1 H ATOM 3201 H2 TIP3 20 34.725 48.575 32.695 1.00 0.00 WT1 H ATOM 3202 OH2 TIP3 21 56.718 10.725 -13.888 1.00 0.00 WT1 O ATOM 3203 H1 TIP3 21 57.217 11.076 -14.626 1.00 0.00 WT1 H ATOM 3204 H2 TIP3 21 56.230 9.989 -14.258 1.00 0.00 WT1 H ATOM 3205 OH2 TIP3 22 41.616 18.458 3.123 1.00 0.00 WT1 O ATOM 3206 H1 TIP3 22 42.413 18.012 2.836 1.00 0.00 WT1 H ATOM 3207 H2 TIP3 22 41.926 19.161 3.693 1.00 0.00 WT1 H ATOM 3208 OH2 TIP3 23 35.928 89.374 67.132 1.00 0.00 WT1 O ATOM 3209 H1 TIP3 23 36.123 90.297 67.293 1.00 0.00 WT1 H ATOM 3210 H2 TIP3 23 36.434 89.155 66.350 1.00 0.00 WT1 H ATOM 3211 OH2 TIP3 24 78.457 63.186 4.018 1.00 0.00 WT1 O ATOM 3212 H1 TIP3 24 78.185 63.179 3.100 1.00 0.00 WT1 H ATOM 3213 H2 TIP3 24 78.456 62.264 4.276 1.00 0.00 WT1 H ATOM 3214 OH2 TIP3 25 43.052 81.642 21.269 1.00 0.00 WT1 O ATOM 3215 H1 TIP3 25 43.114 80.689 21.345 1.00 0.00 WT1 H ATOM 3216 H2 TIP3 25 43.517 81.975 22.036 1.00 0.00 WT1 H ATOM 3217 OH2 TIP3 26 85.568 73.887 5.368 1.00 0.00 WT1 O ATOM 3218 H1 TIP3 26 85.781 72.996 5.090 1.00 0.00 WT1 H ATOM 3219 H2 TIP3 26 86.108 74.031 6.146 1.00 0.00 WT1 H ATOM 3220 OH2 TIP3 27 88.996 15.792 -14.866 1.00 0.00 WT1 O ATOM 3221 H1 TIP3 27 89.466 16.402 -15.434 1.00 0.00 WT1 H ATOM 3222 H2 TIP3 27 89.654 15.144 -14.613 1.00 0.00 WT1 H ATOM 3223 OH2 TIP3 28 49.300 86.643 -18.465 1.00 0.00 WT1 O ATOM 3224 H1 TIP3 28 50.206 86.953 -18.437 1.00 0.00 WT1 H ATOM 3225 H2 TIP3 28 49.059 86.523 -17.547 1.00 0.00 WT1 H ATOM 3226 OH2 TIP3 29 53.219 66.800 -4.390 1.00 0.00 WT1 O ATOM 3227 H1 TIP3 29 53.813 66.320 -3.813 1.00 0.00 WT1 H ATOM 3228 H2 TIP3 29 52.494 67.063 -3.824 1.00 0.00 WT1 H ATOM 3229 OH2 TIP3 30 76.459 30.673 20.970 1.00 0.00 WT1 O ATOM 3230 H1 TIP3 30 76.651 30.199 21.779 1.00 0.00 WT1 H ATOM 3231 H2 TIP3 30 75.503 30.692 20.925 1.00 0.00 WT1 H ATOM 3232 OH2 TIP3 31 67.002 67.765 16.203 1.00 0.00 WT1 O ATOM 3233 H1 TIP3 31 66.939 67.817 17.157 1.00 0.00 WT1 H ATOM 3234 H2 TIP3 31 67.724 67.157 16.043 1.00 0.00 WT1 H ATOM 3235 OH2 TIP3 32 56.247 90.722 36.762 1.00 0.00 WT1 O ATOM 3236 H1 TIP3 32 57.017 91.231 37.016 1.00 0.00 WT1 H ATOM 3237 H2 TIP3 32 56.141 90.080 37.464 1.00 0.00 WT1 H ATOM 3238 OH2 TIP3 33 33.720 42.735 56.636 1.00 0.00 WT1 O ATOM 3239 H1 TIP3 33 33.526 42.902 55.713 1.00 0.00 WT1 H ATOM 3240 H2 TIP3 33 33.779 43.605 57.030 1.00 0.00 WT1 H ATOM 3241 OH2 TIP3 34 33.357 4.829 36.606 1.00 0.00 WT1 O ATOM 3242 H1 TIP3 34 33.403 5.746 36.336 1.00 0.00 WT1 H ATOM 3243 H2 TIP3 34 34.264 4.526 36.585 1.00 0.00 WT1 H ATOM 3244 OH2 TIP3 35 50.940 22.015 22.949 1.00 0.00 WT1 O ATOM 3245 H1 TIP3 35 51.351 22.858 23.141 1.00 0.00 WT1 H ATOM 3246 H2 TIP3 35 50.588 21.723 23.790 1.00 0.00 WT1 H ATOM 3247 OH2 TIP3 38 20.691 31.519 -8.187 1.00 0.00 WT1 O ATOM 3248 H1 TIP3 38 20.801 30.939 -8.941 1.00 0.00 WT1 H ATOM 3249 H2 TIP3 38 21.184 31.095 -7.484 1.00 0.00 WT1 H ATOM 3250 OH2 TIP3 39 36.745 27.475 1.049 1.00 0.00 WT1 O ATOM 3251 H1 TIP3 39 35.901 27.909 0.923 1.00 0.00 WT1 H ATOM 3252 H2 TIP3 39 37.126 27.909 1.813 1.00 0.00 WT1 H ATOM 3253 OH2 TIP3 40 86.890 46.051 -3.780 1.00 0.00 WT1 O ATOM 3254 H1 TIP3 40 86.349 45.297 -4.015 1.00 0.00 WT1 H ATOM 3255 H2 TIP3 40 86.406 46.483 -3.077 1.00 0.00 WT1 H ATOM 3256 OH2 TIP3 41 46.566 78.668 67.038 1.00 0.00 WT1 O ATOM 3257 H1 TIP3 41 47.415 78.311 66.777 1.00 0.00 WT1 H ATOM 3258 H2 TIP3 41 46.374 79.335 66.379 1.00 0.00 WT1 H ATOM 3259 OH2 TIP3 42 28.749 38.555 2.553 1.00 0.00 WT1 O ATOM 3260 H1 TIP3 42 28.933 38.746 3.472 1.00 0.00 WT1 H ATOM 3261 H2 TIP3 42 29.602 38.612 2.121 1.00 0.00 WT1 H ATOM 3262 OH2 TIP3 43 23.954 3.901 -0.047 1.00 0.00 WT1 O ATOM 3263 H1 TIP3 43 23.025 3.967 -0.270 1.00 0.00 WT1 H ATOM 3264 H2 TIP3 43 24.238 3.077 -0.444 1.00 0.00 WT1 H ATOM 3265 OH2 TIP3 44 27.478 1.065 -11.379 1.00 0.00 WT1 O ATOM 3266 H1 TIP3 44 26.530 1.129 -11.263 1.00 0.00 WT1 H ATOM 3267 H2 TIP3 44 27.843 1.557 -10.644 1.00 0.00 WT1 H ATOM 3268 OH2 TIP3 45 82.894 14.874 -17.720 1.00 0.00 WT1 O ATOM 3269 H1 TIP3 45 82.418 14.166 -17.287 1.00 0.00 WT1 H ATOM 3270 H2 TIP3 45 82.973 15.554 -17.051 1.00 0.00 WT1 H ATOM 3271 OH2 TIP3 46 30.086 39.935 -14.270 1.00 0.00 WT1 O ATOM 3272 H1 TIP3 46 30.923 40.317 -14.005 1.00 0.00 WT1 H ATOM 3273 H2 TIP3 46 29.448 40.634 -14.129 1.00 0.00 WT1 H ATOM 3274 OH2 TIP3 47 39.555 62.190 3.714 1.00 0.00 WT1 O ATOM 3275 H1 TIP3 47 40.505 62.155 3.826 1.00 0.00 WT1 H ATOM 3276 H2 TIP3 47 39.423 62.160 2.767 1.00 0.00 WT1 H ATOM 3277 OH2 TIP3 48 50.646 35.789 53.888 1.00 0.00 WT1 O ATOM 3278 H1 TIP3 48 50.358 35.106 53.282 1.00 0.00 WT1 H ATOM 3279 H2 TIP3 48 50.953 36.498 53.323 1.00 0.00 WT1 H ATOM 3280 OH2 TIP3 49 31.672 3.389 3.634 1.00 0.00 WT1 O ATOM 3281 H1 TIP3 49 32.067 4.179 3.265 1.00 0.00 WT1 H ATOM 3282 H2 TIP3 49 31.764 2.730 2.946 1.00 0.00 WT1 H ATOM 3283 OH2 TIP3 50 89.649 32.984 -14.713 1.00 0.00 WT1 O ATOM 3284 H1 TIP3 50 90.598 32.857 -14.736 1.00 0.00 WT1 H ATOM 3285 H2 TIP3 50 89.469 33.579 -15.441 1.00 0.00 WT1 H ATOM 3286 OH2 TIP3 51 86.601 83.465 9.546 1.00 0.00 WT1 O ATOM 3287 H1 TIP3 51 86.494 84.399 9.368 1.00 0.00 WT1 H ATOM 3288 H2 TIP3 51 86.879 83.091 8.710 1.00 0.00 WT1 H ATOM 3289 OH2 TIP3 52 33.283 91.867 1.037 1.00 0.00 WT1 O ATOM 3290 H1 TIP3 52 32.560 91.250 0.922 1.00 0.00 WT1 H ATOM 3291 H2 TIP3 52 33.825 91.476 1.722 1.00 0.00 WT1 H ATOM 3292 OH2 TIP3 53 40.869 59.338 -6.666 1.00 0.00 WT1 O ATOM 3293 H1 TIP3 53 40.242 58.798 -6.185 1.00 0.00 WT1 H ATOM 3294 H2 TIP3 53 41.667 59.305 -6.138 1.00 0.00 WT1 H ATOM 3295 OH2 TIP3 54 67.178 67.601 -15.741 1.00 0.00 WT1 O ATOM 3296 H1 TIP3 54 66.971 67.898 -16.627 1.00 0.00 WT1 H ATOM 3297 H2 TIP3 54 67.975 67.082 -15.841 1.00 0.00 WT1 H ATOM 3298 OH2 TIP3 56 30.636 24.642 65.781 1.00 0.00 WT1 O ATOM 3299 H1 TIP3 56 30.467 23.898 66.359 1.00 0.00 WT1 H ATOM 3300 H2 TIP3 56 29.778 24.865 65.419 1.00 0.00 WT1 H ATOM 3301 OH2 TIP3 57 57.022 29.267 58.231 1.00 0.00 WT1 O ATOM 3302 H1 TIP3 57 57.039 29.099 57.289 1.00 0.00 WT1 H ATOM 3303 H2 TIP3 57 56.375 29.965 58.339 1.00 0.00 WT1 H ATOM 3304 OH2 TIP3 58 29.142 91.673 13.198 1.00 0.00 WT1 O ATOM 3305 H1 TIP3 58 28.616 91.520 13.983 1.00 0.00 WT1 H ATOM 3306 H2 TIP3 58 29.726 92.393 13.437 1.00 0.00 WT1 H ATOM 3307 OH2 TIP3 59 56.401 33.068 30.684 1.00 0.00 WT1 O ATOM 3308 H1 TIP3 59 55.625 32.508 30.714 1.00 0.00 WT1 H ATOM 3309 H2 TIP3 59 56.165 33.773 30.082 1.00 0.00 WT1 H ATOM 3310 OH2 TIP3 60 23.916 18.050 65.835 1.00 0.00 WT1 O ATOM 3311 H1 TIP3 60 23.957 18.978 65.604 1.00 0.00 WT1 H ATOM 3312 H2 TIP3 60 23.019 17.790 65.626 1.00 0.00 WT1 H ATOM 3313 OH2 TIP3 61 68.215 90.928 -13.538 1.00 0.00 WT1 O ATOM 3314 H1 TIP3 61 68.158 90.355 -12.773 1.00 0.00 WT1 H ATOM 3315 H2 TIP3 61 67.997 90.362 -14.279 1.00 0.00 WT1 H ATOM 3316 OH2 TIP3 62 75.493 12.560 -2.923 1.00 0.00 WT1 O ATOM 3317 H1 TIP3 62 75.926 12.506 -3.775 1.00 0.00 WT1 H ATOM 3318 H2 TIP3 62 76.126 13.004 -2.360 1.00 0.00 WT1 H ATOM 3319 OH2 TIP3 63 46.033 12.352 50.087 1.00 0.00 WT1 O ATOM 3320 H1 TIP3 63 45.929 11.440 49.818 1.00 0.00 WT1 H ATOM 3321 H2 TIP3 63 45.226 12.557 50.559 1.00 0.00 WT1 H ATOM 3322 OH2 TIP3 64 61.842 68.350 26.639 1.00 0.00 WT1 O ATOM 3323 H1 TIP3 64 62.257 67.522 26.880 1.00 0.00 WT1 H ATOM 3324 H2 TIP3 64 60.912 68.215 26.821 1.00 0.00 WT1 H ATOM 3325 OH2 TIP3 65 34.343 52.060 -12.702 1.00 0.00 WT1 O ATOM 3326 H1 TIP3 65 35.299 52.020 -12.676 1.00 0.00 WT1 H ATOM 3327 H2 TIP3 65 34.066 51.743 -11.842 1.00 0.00 WT1 H ATOM 3328 OH2 TIP3 66 71.160 27.012 -14.739 1.00 0.00 WT1 O ATOM 3329 H1 TIP3 66 71.883 27.220 -14.148 1.00 0.00 WT1 H ATOM 3330 H2 TIP3 66 70.406 26.887 -14.162 1.00 0.00 WT1 H ATOM 3331 OH2 TIP3 67 46.191 8.190 12.110 1.00 0.00 WT1 O ATOM 3332 H1 TIP3 67 45.336 7.972 12.480 1.00 0.00 WT1 H ATOM 3333 H2 TIP3 67 46.613 8.727 12.781 1.00 0.00 WT1 H ATOM 3334 OH2 TIP3 68 27.067 85.908 7.044 1.00 0.00 WT1 O ATOM 3335 H1 TIP3 68 26.696 86.708 7.417 1.00 0.00 WT1 H ATOM 3336 H2 TIP3 68 27.881 86.193 6.628 1.00 0.00 WT1 H ATOM 3337 OH2 TIP3 69 43.794 35.339 54.127 1.00 0.00 WT1 O ATOM 3338 H1 TIP3 69 43.892 35.670 53.234 1.00 0.00 WT1 H ATOM 3339 H2 TIP3 69 44.568 34.792 54.266 1.00 0.00 WT1 H ATOM 3340 OH2 TIP3 70 87.965 43.628 13.162 1.00 0.00 WT1 O ATOM 3341 H1 TIP3 70 87.472 44.444 13.076 1.00 0.00 WT1 H ATOM 3342 H2 TIP3 70 87.511 43.145 13.852 1.00 0.00 WT1 H ATOM 3343 OH2 TIP3 71 85.959 19.333 34.977 1.00 0.00 WT1 O ATOM 3344 H1 TIP3 71 86.279 19.862 35.708 1.00 0.00 WT1 H ATOM 3345 H2 TIP3 71 86.397 18.488 35.082 1.00 0.00 WT1 H ATOM 3346 OH2 TIP3 72 36.186 81.458 10.012 1.00 0.00 WT1 O ATOM 3347 H1 TIP3 72 36.913 81.131 10.541 1.00 0.00 WT1 H ATOM 3348 H2 TIP3 72 36.512 82.276 9.636 1.00 0.00 WT1 H ATOM 3349 OH2 TIP3 73 42.778 39.766 19.693 1.00 0.00 WT1 O ATOM 3350 H1 TIP3 73 43.019 38.938 19.279 1.00 0.00 WT1 H ATOM 3351 H2 TIP3 73 43.575 40.054 20.137 1.00 0.00 WT1 H ATOM 3352 OH2 TIP3 74 62.384 81.620 17.938 1.00 0.00 WT1 O ATOM 3353 H1 TIP3 74 62.138 82.445 18.356 1.00 0.00 WT1 H ATOM 3354 H2 TIP3 74 63.040 81.241 18.522 1.00 0.00 WT1 H ATOM 3355 OH2 TIP3 75 32.681 19.513 11.810 1.00 0.00 WT1 O ATOM 3356 H1 TIP3 75 33.387 19.321 12.427 1.00 0.00 WT1 H ATOM 3357 H2 TIP3 75 31.892 19.179 12.237 1.00 0.00 WT1 H ATOM 3358 OH2 TIP3 76 85.382 38.627 4.131 1.00 0.00 WT1 O ATOM 3359 H1 TIP3 76 86.213 38.286 4.462 1.00 0.00 WT1 H ATOM 3360 H2 TIP3 76 84.982 37.886 3.676 1.00 0.00 WT1 H ATOM 3361 OH2 TIP3 77 27.710 46.710 43.736 1.00 0.00 WT1 O ATOM 3362 H1 TIP3 77 28.465 47.266 43.540 1.00 0.00 WT1 H ATOM 3363 H2 TIP3 77 28.087 45.924 44.131 1.00 0.00 WT1 H ATOM 3364 OH2 TIP3 78 62.300 43.855 8.690 1.00 0.00 WT1 O ATOM 3365 H1 TIP3 78 62.045 44.478 9.371 1.00 0.00 WT1 H ATOM 3366 H2 TIP3 78 62.394 43.021 9.151 1.00 0.00 WT1 H ATOM 3367 OH2 TIP3 79 82.231 15.871 3.960 1.00 0.00 WT1 O ATOM 3368 H1 TIP3 79 82.992 16.446 3.874 1.00 0.00 WT1 H ATOM 3369 H2 TIP3 79 81.621 16.360 4.512 1.00 0.00 WT1 H ATOM 3370 OH2 TIP3 80 85.930 82.590 -4.257 1.00 0.00 WT1 O ATOM 3371 H1 TIP3 80 85.205 82.805 -3.672 1.00 0.00 WT1 H ATOM 3372 H2 TIP3 80 86.370 81.853 -3.833 1.00 0.00 WT1 H ATOM 3373 OH2 TIP3 81 79.319 27.075 36.148 1.00 0.00 WT1 O ATOM 3374 H1 TIP3 81 78.766 27.485 35.483 1.00 0.00 WT1 H ATOM 3375 H2 TIP3 81 79.391 26.161 35.870 1.00 0.00 WT1 H ATOM 3376 OH2 TIP3 82 74.481 53.274 54.910 1.00 0.00 WT1 O ATOM 3377 H1 TIP3 82 74.691 53.258 55.844 1.00 0.00 WT1 H ATOM 3378 H2 TIP3 82 73.861 53.997 54.816 1.00 0.00 WT1 H ATOM 3379 OH2 TIP3 83 57.549 13.136 45.887 1.00 0.00 WT1 O ATOM 3380 H1 TIP3 83 57.725 13.437 44.996 1.00 0.00 WT1 H ATOM 3381 H2 TIP3 83 58.276 12.547 46.089 1.00 0.00 WT1 H ATOM 3382 OH2 TIP3 84 27.773 11.455 37.644 1.00 0.00 WT1 O ATOM 3383 H1 TIP3 84 26.922 11.892 37.598 1.00 0.00 WT1 H ATOM 3384 H2 TIP3 84 28.329 11.950 37.042 1.00 0.00 WT1 H ATOM 3385 OH2 TIP3 85 40.696 83.439 56.615 1.00 0.00 WT1 O ATOM 3386 H1 TIP3 85 41.534 83.873 56.455 1.00 0.00 WT1 H ATOM 3387 H2 TIP3 85 40.107 83.804 55.954 1.00 0.00 WT1 H ATOM 3388 OH2 TIP3 86 76.543 56.650 47.223 1.00 0.00 WT1 O ATOM 3389 H1 TIP3 86 76.956 56.019 47.812 1.00 0.00 WT1 H ATOM 3390 H2 TIP3 86 75.640 56.344 47.139 1.00 0.00 WT1 H ATOM 3391 OH2 TIP3 87 78.894 14.807 -4.267 1.00 0.00 WT1 O ATOM 3392 H1 TIP3 87 79.460 14.041 -4.175 1.00 0.00 WT1 H ATOM 3393 H2 TIP3 87 79.433 15.541 -3.974 1.00 0.00 WT1 H ATOM 3394 OH2 TIP3 88 23.494 72.172 33.509 1.00 0.00 WT1 O ATOM 3395 H1 TIP3 88 24.370 72.182 33.123 1.00 0.00 WT1 H ATOM 3396 H2 TIP3 88 23.258 71.245 33.545 1.00 0.00 WT1 H ATOM 3397 OH2 TIP3 89 55.329 80.179 -15.805 1.00 0.00 WT1 O ATOM 3398 H1 TIP3 89 55.020 81.084 -15.757 1.00 0.00 WT1 H ATOM 3399 H2 TIP3 89 55.622 79.977 -14.917 1.00 0.00 WT1 H ATOM 3400 OH2 TIP3 90 74.860 9.913 -1.707 1.00 0.00 WT1 O ATOM 3401 H1 TIP3 90 75.099 10.743 -2.118 1.00 0.00 WT1 H ATOM 3402 H2 TIP3 90 75.611 9.694 -1.155 1.00 0.00 WT1 H ATOM 3403 OH2 TIP3 91 43.062 19.594 -7.157 1.00 0.00 WT1 O ATOM 3404 H1 TIP3 91 43.129 20.532 -6.981 1.00 0.00 WT1 H ATOM 3405 H2 TIP3 91 42.262 19.504 -7.675 1.00 0.00 WT1 H ATOM 3406 OH2 TIP3 92 81.809 42.220 11.643 1.00 0.00 WT1 O ATOM 3407 H1 TIP3 92 82.130 41.668 12.356 1.00 0.00 WT1 H ATOM 3408 H2 TIP3 92 81.594 41.605 10.942 1.00 0.00 WT1 H ATOM 3409 OH2 TIP3 93 45.660 90.875 46.396 1.00 0.00 WT1 O ATOM 3410 H1 TIP3 93 46.262 90.266 46.824 1.00 0.00 WT1 H ATOM 3411 H2 TIP3 93 46.206 91.625 46.159 1.00 0.00 WT1 H ATOM 3412 OH2 TIP3 94 82.456 47.959 27.037 1.00 0.00 WT1 O ATOM 3413 H1 TIP3 94 83.319 47.579 27.201 1.00 0.00 WT1 H ATOM 3414 H2 TIP3 94 81.981 47.840 27.860 1.00 0.00 WT1 H ATOM 3415 OH2 TIP3 95 42.238 71.891 58.506 1.00 0.00 WT1 O ATOM 3416 H1 TIP3 95 42.419 71.989 57.571 1.00 0.00 WT1 H ATOM 3417 H2 TIP3 95 41.490 72.466 58.667 1.00 0.00 WT1 H ATOM 3418 OH2 TIP3 96 51.371 57.088 -8.915 1.00 0.00 WT1 O ATOM 3419 H1 TIP3 96 50.529 57.213 -9.352 1.00 0.00 WT1 H ATOM 3420 H2 TIP3 96 51.949 56.752 -9.601 1.00 0.00 WT1 H ATOM 3421 OH2 TIP3 97 83.166 74.946 9.520 1.00 0.00 WT1 O ATOM 3422 H1 TIP3 97 83.760 74.366 9.996 1.00 0.00 WT1 H ATOM 3423 H2 TIP3 97 83.259 74.684 8.604 1.00 0.00 WT1 H ATOM 3424 OH2 TIP3 98 29.179 45.413 19.397 1.00 0.00 WT1 O ATOM 3425 H1 TIP3 98 28.655 46.021 19.918 1.00 0.00 WT1 H ATOM 3426 H2 TIP3 98 29.900 45.945 19.061 1.00 0.00 WT1 H ATOM 3427 OH2 TIP3 99 68.180 16.514 31.700 1.00 0.00 WT1 O ATOM 3428 H1 TIP3 99 68.073 17.348 31.243 1.00 0.00 WT1 H ATOM 3429 H2 TIP3 99 69.078 16.246 31.502 1.00 0.00 WT1 H ATOM 3430 OH2 TIP3 100 66.995 68.175 53.973 1.00 0.00 WT1 O ATOM 3431 H1 TIP3 100 66.467 67.427 54.253 1.00 0.00 WT1 H ATOM 3432 H2 TIP3 100 67.773 67.784 53.576 1.00 0.00 WT1 H ATOM 3433 OH2 TIP3 101 28.593 48.140 50.489 1.00 0.00 WT1 O ATOM 3434 H1 TIP3 101 29.320 48.024 49.877 1.00 0.00 WT1 H ATOM 3435 H2 TIP3 101 28.150 48.934 50.189 1.00 0.00 WT1 H ATOM 3436 OH2 TIP3 102 82.616 9.365 47.082 1.00 0.00 WT1 O ATOM 3437 H1 TIP3 102 81.991 8.859 47.601 1.00 0.00 WT1 H ATOM 3438 H2 TIP3 102 82.136 9.597 46.287 1.00 0.00 WT1 H ATOM 3439 OH2 TIP3 103 53.909 74.250 -16.811 1.00 0.00 WT1 O ATOM 3440 H1 TIP3 103 53.524 74.611 -16.013 1.00 0.00 WT1 H ATOM 3441 H2 TIP3 103 54.299 75.006 -17.251 1.00 0.00 WT1 H ATOM 3442 OH2 TIP3 104 27.553 78.502 41.202 1.00 0.00 WT1 O ATOM 3443 H1 TIP3 104 28.274 78.377 40.585 1.00 0.00 WT1 H ATOM 3444 H2 TIP3 104 26.940 77.794 41.004 1.00 0.00 WT1 H ATOM 3445 OH2 TIP3 105 56.649 10.771 7.235 1.00 0.00 WT1 O ATOM 3446 H1 TIP3 105 56.215 9.918 7.237 1.00 0.00 WT1 H ATOM 3447 H2 TIP3 105 57.359 10.677 6.600 1.00 0.00 WT1 H ATOM 3448 OH2 TIP3 106 73.028 8.185 66.936 1.00 0.00 WT1 O ATOM 3449 H1 TIP3 106 73.288 8.109 67.854 1.00 0.00 WT1 H ATOM 3450 H2 TIP3 106 72.079 8.308 66.966 1.00 0.00 WT1 H ATOM 3451 OH2 TIP3 107 26.310 22.616 -2.611 1.00 0.00 WT1 O ATOM 3452 H1 TIP3 107 26.975 23.138 -3.061 1.00 0.00 WT1 H ATOM 3453 H2 TIP3 107 26.727 22.354 -1.789 1.00 0.00 WT1 H ATOM 3454 OH2 TIP3 108 73.202 43.030 17.883 1.00 0.00 WT1 O ATOM 3455 H1 TIP3 108 72.437 42.761 17.374 1.00 0.00 WT1 H ATOM 3456 H2 TIP3 108 73.876 42.388 17.662 1.00 0.00 WT1 H ATOM 3457 OH2 TIP3 109 86.398 71.510 15.038 1.00 0.00 WT1 O ATOM 3458 H1 TIP3 109 85.694 71.543 15.685 1.00 0.00 WT1 H ATOM 3459 H2 TIP3 109 86.759 70.628 15.119 1.00 0.00 WT1 H ATOM 3460 OH2 TIP3 110 37.213 4.131 13.152 1.00 0.00 WT1 O ATOM 3461 H1 TIP3 110 36.533 4.482 13.728 1.00 0.00 WT1 H ATOM 3462 H2 TIP3 110 37.799 3.651 13.738 1.00 0.00 WT1 H ATOM 3463 OH2 TIP3 111 88.242 42.101 46.326 1.00 0.00 WT1 O ATOM 3464 H1 TIP3 111 87.346 41.819 46.142 1.00 0.00 WT1 H ATOM 3465 H2 TIP3 111 88.169 42.628 47.122 1.00 0.00 WT1 H ATOM 3466 OH2 TIP3 112 31.115 40.452 9.086 1.00 0.00 WT1 O ATOM 3467 H1 TIP3 112 31.404 41.189 8.548 1.00 0.00 WT1 H ATOM 3468 H2 TIP3 112 31.924 40.064 9.417 1.00 0.00 WT1 H ATOM 3469 OH2 TIP3 113 78.255 54.063 19.499 1.00 0.00 WT1 O ATOM 3470 H1 TIP3 113 78.908 54.754 19.612 1.00 0.00 WT1 H ATOM 3471 H2 TIP3 113 77.455 54.528 19.253 1.00 0.00 WT1 H ATOM 3472 OH2 TIP3 114 90.459 41.101 37.763 1.00 0.00 WT1 O ATOM 3473 H1 TIP3 114 89.881 41.797 37.449 1.00 0.00 WT1 H ATOM 3474 H2 TIP3 114 90.451 40.449 37.063 1.00 0.00 WT1 H ATOM 3475 OH2 TIP3 115 60.207 9.797 5.204 1.00 0.00 WT1 O ATOM 3476 H1 TIP3 115 60.747 10.574 5.062 1.00 0.00 WT1 H ATOM 3477 H2 TIP3 115 59.555 9.827 4.503 1.00 0.00 WT1 H ATOM 3478 OH2 TIP3 116 70.447 88.166 -14.917 1.00 0.00 WT1 O ATOM 3479 H1 TIP3 116 69.717 88.218 -14.301 1.00 0.00 WT1 H ATOM 3480 H2 TIP3 116 70.646 87.231 -14.974 1.00 0.00 WT1 H ATOM 3481 OH2 TIP3 117 76.092 45.717 2.335 1.00 0.00 WT1 O ATOM 3482 H1 TIP3 117 77.039 45.658 2.462 1.00 0.00 WT1 H ATOM 3483 H2 TIP3 117 75.845 46.541 2.755 1.00 0.00 WT1 H ATOM 3484 OH2 TIP3 118 45.541 37.009 -1.514 1.00 0.00 WT1 O ATOM 3485 H1 TIP3 118 45.290 37.773 -0.994 1.00 0.00 WT1 H ATOM 3486 H2 TIP3 118 45.772 36.344 -0.866 1.00 0.00 WT1 H ATOM 3487 OH2 TIP3 119 77.109 55.332 33.015 1.00 0.00 WT1 O ATOM 3488 H1 TIP3 119 77.079 55.613 32.101 1.00 0.00 WT1 H ATOM 3489 H2 TIP3 119 76.243 55.549 33.362 1.00 0.00 WT1 H ATOM 3490 OH2 TIP3 120 65.962 51.982 -0.015 1.00 0.00 WT1 O ATOM 3491 H1 TIP3 120 65.982 52.717 0.598 1.00 0.00 WT1 H ATOM 3492 H2 TIP3 120 65.800 52.384 -0.868 1.00 0.00 WT1 H ATOM 3493 OH2 TIP3 121 88.057 60.424 32.944 1.00 0.00 WT1 O ATOM 3494 H1 TIP3 121 88.193 59.950 32.124 1.00 0.00 WT1 H ATOM 3495 H2 TIP3 121 87.831 59.745 33.580 1.00 0.00 WT1 H ATOM 3496 OH2 TIP3 122 35.140 5.493 43.932 1.00 0.00 WT1 O ATOM 3497 H1 TIP3 122 34.849 6.284 43.478 1.00 0.00 WT1 H ATOM 3498 H2 TIP3 122 35.575 4.974 43.254 1.00 0.00 WT1 H ATOM 3499 OH2 TIP3 123 78.777 67.617 19.104 1.00 0.00 WT1 O ATOM 3500 H1 TIP3 123 78.238 66.863 19.345 1.00 0.00 WT1 H ATOM 3501 H2 TIP3 123 78.155 68.252 18.748 1.00 0.00 WT1 H ATOM 3502 OH2 TIP3 124 22.838 36.973 41.300 1.00 0.00 WT1 O ATOM 3503 H1 TIP3 124 23.520 36.406 40.940 1.00 0.00 WT1 H ATOM 3504 H2 TIP3 124 22.663 36.615 42.170 1.00 0.00 WT1 H ATOM 3505 OH2 TIP3 125 77.124 18.558 2.566 1.00 0.00 WT1 O ATOM 3506 H1 TIP3 125 76.839 18.972 1.752 1.00 0.00 WT1 H ATOM 3507 H2 TIP3 125 76.567 18.946 3.241 1.00 0.00 WT1 H ATOM 3508 OH2 TIP3 126 56.323 2.388 18.380 1.00 0.00 WT1 O ATOM 3509 H1 TIP3 126 56.985 2.970 18.752 1.00 0.00 WT1 H ATOM 3510 H2 TIP3 126 56.706 2.084 17.557 1.00 0.00 WT1 H ATOM 3511 OH2 TIP3 127 77.260 14.401 58.650 1.00 0.00 WT1 O ATOM 3512 H1 TIP3 127 78.067 13.972 58.365 1.00 0.00 WT1 H ATOM 3513 H2 TIP3 127 76.976 13.896 59.412 1.00 0.00 WT1 H ATOM 3514 OH2 TIP3 128 76.031 3.245 38.192 1.00 0.00 WT1 O ATOM 3515 H1 TIP3 128 76.168 3.574 37.303 1.00 0.00 WT1 H ATOM 3516 H2 TIP3 128 76.326 2.335 38.159 1.00 0.00 WT1 H ATOM 3517 OH2 TIP3 129 27.901 34.885 -1.519 1.00 0.00 WT1 O ATOM 3518 H1 TIP3 129 27.987 35.101 -2.448 1.00 0.00 WT1 H ATOM 3519 H2 TIP3 129 28.660 35.295 -1.106 1.00 0.00 WT1 H ATOM 3520 OH2 TIP3 130 25.026 36.420 22.662 1.00 0.00 WT1 O ATOM 3521 H1 TIP3 130 25.289 36.984 21.935 1.00 0.00 WT1 H ATOM 3522 H2 TIP3 130 25.376 36.855 23.440 1.00 0.00 WT1 H ATOM 3523 OH2 TIP3 131 46.607 53.911 2.600 1.00 0.00 WT1 O ATOM 3524 H1 TIP3 131 46.480 54.760 3.023 1.00 0.00 WT1 H ATOM 3525 H2 TIP3 131 47.383 53.545 3.024 1.00 0.00 WT1 H ATOM 3526 OH2 TIP3 132 87.775 53.726 2.804 1.00 0.00 WT1 O ATOM 3527 H1 TIP3 132 87.002 53.526 3.332 1.00 0.00 WT1 H ATOM 3528 H2 TIP3 132 87.748 54.676 2.689 1.00 0.00 WT1 H ATOM 3529 OH2 TIP3 133 60.058 27.922 63.356 1.00 0.00 WT1 O ATOM 3530 H1 TIP3 133 60.882 27.459 63.204 1.00 0.00 WT1 H ATOM 3531 H2 TIP3 133 60.180 28.358 64.200 1.00 0.00 WT1 H ATOM 3532 OH2 TIP3 134 27.205 1.195 39.362 1.00 0.00 WT1 O ATOM 3533 H1 TIP3 134 27.847 0.513 39.556 1.00 0.00 WT1 H ATOM 3534 H2 TIP3 134 27.508 1.957 39.856 1.00 0.00 WT1 H ATOM 3535 OH2 TIP3 135 72.661 43.915 33.299 1.00 0.00 WT1 O ATOM 3536 H1 TIP3 135 71.903 43.833 32.720 1.00 0.00 WT1 H ATOM 3537 H2 TIP3 135 72.636 44.824 33.599 1.00 0.00 WT1 H ATOM 3538 OH2 TIP3 136 49.026 21.338 -17.772 1.00 0.00 WT1 O ATOM 3539 H1 TIP3 136 49.927 21.660 -17.735 1.00 0.00 WT1 H ATOM 3540 H2 TIP3 136 48.851 21.016 -16.888 1.00 0.00 WT1 H ATOM 3541 OH2 TIP3 137 42.757 20.828 3.842 1.00 0.00 WT1 O ATOM 3542 H1 TIP3 137 43.185 20.538 4.648 1.00 0.00 WT1 H ATOM 3543 H2 TIP3 137 42.454 21.715 4.036 1.00 0.00 WT1 H ATOM 3544 OH2 TIP3 138 25.692 33.937 43.550 1.00 0.00 WT1 O ATOM 3545 H1 TIP3 138 25.563 34.641 44.185 1.00 0.00 WT1 H ATOM 3546 H2 TIP3 138 25.870 33.162 44.083 1.00 0.00 WT1 H ATOM 3547 OH2 TIP3 139 84.433 29.747 39.005 1.00 0.00 WT1 O ATOM 3548 H1 TIP3 139 84.896 30.250 38.335 1.00 0.00 WT1 H ATOM 3549 H2 TIP3 139 84.712 30.136 39.834 1.00 0.00 WT1 H ATOM 3550 OH2 TIP3 140 62.493 23.710 41.652 1.00 0.00 WT1 O ATOM 3551 H1 TIP3 140 62.652 23.431 40.750 1.00 0.00 WT1 H ATOM 3552 H2 TIP3 140 63.355 23.966 41.979 1.00 0.00 WT1 H ATOM 3553 OH2 TIP3 141 73.509 83.071 58.745 1.00 0.00 WT1 O ATOM 3554 H1 TIP3 141 72.626 83.045 59.114 1.00 0.00 WT1 H ATOM 3555 H2 TIP3 141 73.601 82.236 58.285 1.00 0.00 WT1 H ATOM 3556 OH2 TIP3 142 71.552 54.197 32.574 1.00 0.00 WT1 O ATOM 3557 H1 TIP3 142 71.315 53.277 32.455 1.00 0.00 WT1 H ATOM 3558 H2 TIP3 142 72.430 54.269 32.199 1.00 0.00 WT1 H ATOM 3559 OH2 TIP3 143 66.281 88.296 1.181 1.00 0.00 WT1 O ATOM 3560 H1 TIP3 143 67.030 88.290 1.777 1.00 0.00 WT1 H ATOM 3561 H2 TIP3 143 65.617 87.768 1.625 1.00 0.00 WT1 H ATOM 3562 OH2 TIP3 144 43.796 59.930 -11.997 1.00 0.00 WT1 O ATOM 3563 H1 TIP3 144 44.482 60.318 -11.453 1.00 0.00 WT1 H ATOM 3564 H2 TIP3 144 43.175 59.558 -11.370 1.00 0.00 WT1 H ATOM 3565 OH2 TIP3 145 88.332 86.868 8.894 1.00 0.00 WT1 O ATOM 3566 H1 TIP3 145 88.840 86.631 9.669 1.00 0.00 WT1 H ATOM 3567 H2 TIP3 145 88.425 86.118 8.306 1.00 0.00 WT1 H ATOM 3568 OH2 TIP3 146 90.685 61.646 23.099 1.00 0.00 WT1 O ATOM 3569 H1 TIP3 146 90.755 61.657 22.145 1.00 0.00 WT1 H ATOM 3570 H2 TIP3 146 89.938 61.075 23.279 1.00 0.00 WT1 H ATOM 3571 OH2 TIP3 147 78.132 13.276 -1.875 1.00 0.00 WT1 O ATOM 3572 H1 TIP3 147 78.415 14.029 -2.393 1.00 0.00 WT1 H ATOM 3573 H2 TIP3 147 77.514 13.638 -1.241 1.00 0.00 WT1 H ATOM 3574 OH2 TIP3 148 71.739 28.412 49.212 1.00 0.00 WT1 O ATOM 3575 H1 TIP3 148 71.526 27.856 49.962 1.00 0.00 WT1 H ATOM 3576 H2 TIP3 148 70.896 28.772 48.934 1.00 0.00 WT1 H ATOM 3577 OH2 TIP3 149 45.856 30.624 49.040 1.00 0.00 WT1 O ATOM 3578 H1 TIP3 149 45.054 31.009 49.391 1.00 0.00 WT1 H ATOM 3579 H2 TIP3 149 46.327 31.361 48.650 1.00 0.00 WT1 H ATOM 3580 OH2 TIP3 150 34.458 27.433 -11.935 1.00 0.00 WT1 O ATOM 3581 H1 TIP3 150 34.976 27.470 -12.739 1.00 0.00 WT1 H ATOM 3582 H2 TIP3 150 34.431 28.338 -11.625 1.00 0.00 WT1 H ATOM 3583 OH2 TIP3 151 40.481 32.363 62.471 1.00 0.00 WT1 O ATOM 3584 H1 TIP3 151 40.071 31.675 61.947 1.00 0.00 WT1 H ATOM 3585 H2 TIP3 151 39.792 33.015 62.593 1.00 0.00 WT1 H ATOM 3586 OH2 TIP3 152 33.847 24.847 -4.599 1.00 0.00 WT1 O ATOM 3587 H1 TIP3 152 34.391 24.296 -5.163 1.00 0.00 WT1 H ATOM 3588 H2 TIP3 152 34.375 25.630 -4.446 1.00 0.00 WT1 H ATOM 3589 OH2 TIP3 153 56.339 11.264 27.224 1.00 0.00 WT1 O ATOM 3590 H1 TIP3 153 57.272 11.052 27.187 1.00 0.00 WT1 H ATOM 3591 H2 TIP3 153 56.246 11.800 28.011 1.00 0.00 WT1 H ATOM 3592 OH2 TIP3 154 87.798 47.787 66.814 1.00 0.00 WT1 O ATOM 3593 H1 TIP3 154 87.437 48.617 67.126 1.00 0.00 WT1 H ATOM 3594 H2 TIP3 154 87.757 47.852 65.859 1.00 0.00 WT1 H ATOM 3595 OH2 TIP3 155 53.049 52.226 -2.304 1.00 0.00 WT1 O ATOM 3596 H1 TIP3 155 52.531 51.452 -2.082 1.00 0.00 WT1 H ATOM 3597 H2 TIP3 155 52.825 52.867 -1.628 1.00 0.00 WT1 H ATOM 3598 OH2 TIP3 156 47.777 57.749 6.497 1.00 0.00 WT1 O ATOM 3599 H1 TIP3 156 48.345 57.402 7.185 1.00 0.00 WT1 H ATOM 3600 H2 TIP3 156 48.264 58.488 6.134 1.00 0.00 WT1 H ATOM 3601 OH2 TIP3 157 57.508 53.142 -17.081 1.00 0.00 WT1 O ATOM 3602 H1 TIP3 157 58.289 53.131 -16.528 1.00 0.00 WT1 H ATOM 3603 H2 TIP3 157 57.333 52.219 -17.267 1.00 0.00 WT1 H ATOM 3604 OH2 TIP3 158 78.224 5.425 -0.132 1.00 0.00 WT1 O ATOM 3605 H1 TIP3 158 78.500 5.370 0.783 1.00 0.00 WT1 H ATOM 3606 H2 TIP3 158 77.319 5.734 -0.091 1.00 0.00 WT1 H ATOM 3607 OH2 TIP3 159 60.445 27.982 37.838 1.00 0.00 WT1 O ATOM 3608 H1 TIP3 159 60.965 27.185 37.731 1.00 0.00 WT1 H ATOM 3609 H2 TIP3 159 60.047 28.125 36.979 1.00 0.00 WT1 H ATOM 3610 OH2 TIP3 160 30.870 34.799 -12.864 1.00 0.00 WT1 O ATOM 3611 H1 TIP3 160 31.793 34.616 -12.686 1.00 0.00 WT1 H ATOM 3612 H2 TIP3 160 30.558 35.246 -12.077 1.00 0.00 WT1 H ATOM 3613 OH2 TIP3 161 75.528 11.219 53.921 1.00 0.00 WT1 O ATOM 3614 H1 TIP3 161 76.392 11.337 53.527 1.00 0.00 WT1 H ATOM 3615 H2 TIP3 161 75.288 10.317 53.707 1.00 0.00 WT1 H ATOM 3616 OH2 TIP3 162 49.757 30.178 35.735 1.00 0.00 WT1 O ATOM 3617 H1 TIP3 162 49.556 29.308 36.081 1.00 0.00 WT1 H ATOM 3618 H2 TIP3 162 48.924 30.497 35.390 1.00 0.00 WT1 H ATOM 3619 OH2 TIP3 163 40.063 55.933 15.613 1.00 0.00 WT1 O ATOM 3620 H1 TIP3 163 39.785 55.802 16.520 1.00 0.00 WT1 H ATOM 3621 H2 TIP3 163 40.762 56.585 15.668 1.00 0.00 WT1 H ATOM 3622 OH2 TIP3 164 54.606 33.067 53.468 1.00 0.00 WT1 O ATOM 3623 H1 TIP3 164 54.140 33.348 52.681 1.00 0.00 WT1 H ATOM 3624 H2 TIP3 164 54.603 32.111 53.420 1.00 0.00 WT1 H ATOM 3625 OH2 TIP3 165 34.424 16.411 65.031 1.00 0.00 WT1 O ATOM 3626 H1 TIP3 165 33.871 17.158 64.801 1.00 0.00 WT1 H ATOM 3627 H2 TIP3 165 34.529 15.929 64.211 1.00 0.00 WT1 H ATOM 3628 OH2 TIP3 166 49.393 44.003 9.392 1.00 0.00 WT1 O ATOM 3629 H1 TIP3 166 48.471 43.847 9.595 1.00 0.00 WT1 H ATOM 3630 H2 TIP3 166 49.720 44.513 10.133 1.00 0.00 WT1 H ATOM 3631 OH2 TIP3 167 85.732 45.743 67.320 1.00 0.00 WT1 O ATOM 3632 H1 TIP3 167 86.398 46.369 67.034 1.00 0.00 WT1 H ATOM 3633 H2 TIP3 167 84.994 45.892 66.729 1.00 0.00 WT1 H ATOM 3634 OH2 TIP3 168 56.976 59.714 61.752 1.00 0.00 WT1 O ATOM 3635 H1 TIP3 168 56.406 60.420 61.446 1.00 0.00 WT1 H ATOM 3636 H2 TIP3 168 56.401 59.148 62.267 1.00 0.00 WT1 H ATOM 3637 OH2 TIP3 169 65.865 9.060 33.206 1.00 0.00 WT1 O ATOM 3638 H1 TIP3 169 65.848 9.957 32.873 1.00 0.00 WT1 H ATOM 3639 H2 TIP3 169 66.278 9.130 34.067 1.00 0.00 WT1 H ATOM 3640 OH2 TIP3 170 39.795 73.583 23.526 1.00 0.00 WT1 O ATOM 3641 H1 TIP3 170 40.009 72.850 24.104 1.00 0.00 WT1 H ATOM 3642 H2 TIP3 170 40.615 73.779 23.074 1.00 0.00 WT1 H ATOM 3643 OH2 TIP3 171 72.189 62.462 21.619 1.00 0.00 WT1 O ATOM 3644 H1 TIP3 171 71.528 61.794 21.801 1.00 0.00 WT1 H ATOM 3645 H2 TIP3 171 73.002 62.098 21.971 1.00 0.00 WT1 H ATOM 3646 OH2 TIP3 172 22.932 39.850 47.132 1.00 0.00 WT1 O ATOM 3647 H1 TIP3 172 22.606 40.693 47.446 1.00 0.00 WT1 H ATOM 3648 H2 TIP3 172 23.103 39.991 46.201 1.00 0.00 WT1 H ATOM 3649 OH2 TIP3 173 64.111 32.643 16.865 1.00 0.00 WT1 O ATOM 3650 H1 TIP3 173 63.321 33.157 16.699 1.00 0.00 WT1 H ATOM 3651 H2 TIP3 173 64.471 33.010 17.673 1.00 0.00 WT1 H ATOM 3652 OH2 TIP3 174 75.455 48.052 66.825 1.00 0.00 WT1 O ATOM 3653 H1 TIP3 174 75.196 48.965 66.696 1.00 0.00 WT1 H ATOM 3654 H2 TIP3 174 76.144 47.905 66.177 1.00 0.00 WT1 H ATOM 3655 OH2 TIP3 176 20.229 52.020 9.225 1.00 0.00 WT1 O ATOM 3656 H1 TIP3 176 20.611 51.389 9.835 1.00 0.00 WT1 H ATOM 3657 H2 TIP3 176 20.907 52.687 9.114 1.00 0.00 WT1 H ATOM 3658 OH2 TIP3 177 86.141 86.241 41.400 1.00 0.00 WT1 O ATOM 3659 H1 TIP3 177 86.192 85.469 40.836 1.00 0.00 WT1 H ATOM 3660 H2 TIP3 177 85.398 86.739 41.059 1.00 0.00 WT1 H ATOM 3661 OH2 TIP3 178 89.816 38.992 -0.813 1.00 0.00 WT1 O ATOM 3662 H1 TIP3 178 89.648 38.432 -0.055 1.00 0.00 WT1 H ATOM 3663 H2 TIP3 178 89.368 38.557 -1.538 1.00 0.00 WT1 H ATOM 3664 OH2 TIP3 179 36.862 36.653 24.806 1.00 0.00 WT1 O ATOM 3665 H1 TIP3 179 37.368 36.127 25.425 1.00 0.00 WT1 H ATOM 3666 H2 TIP3 179 37.479 37.313 24.492 1.00 0.00 WT1 H ATOM 3667 OH2 TIP3 180 38.623 28.648 -2.793 1.00 0.00 WT1 O ATOM 3668 H1 TIP3 180 38.237 27.791 -2.614 1.00 0.00 WT1 H ATOM 3669 H2 TIP3 180 38.363 29.189 -2.047 1.00 0.00 WT1 H ATOM 3670 OH2 TIP3 181 31.152 18.356 47.819 1.00 0.00 WT1 O ATOM 3671 H1 TIP3 181 31.103 17.563 47.286 1.00 0.00 WT1 H ATOM 3672 H2 TIP3 181 31.746 18.932 47.339 1.00 0.00 WT1 H ATOM 3673 OH2 TIP3 182 40.443 42.825 -12.404 1.00 0.00 WT1 O ATOM 3674 H1 TIP3 182 40.706 42.233 -13.109 1.00 0.00 WT1 H ATOM 3675 H2 TIP3 182 40.636 42.342 -11.601 1.00 0.00 WT1 H ATOM 3676 OH2 TIP3 183 41.621 89.371 24.894 1.00 0.00 WT1 O ATOM 3677 H1 TIP3 183 42.390 88.831 25.078 1.00 0.00 WT1 H ATOM 3678 H2 TIP3 183 41.642 90.055 25.563 1.00 0.00 WT1 H ATOM 3679 OH2 TIP3 184 36.517 53.948 -0.397 1.00 0.00 WT1 O ATOM 3680 H1 TIP3 184 37.309 54.473 -0.279 1.00 0.00 WT1 H ATOM 3681 H2 TIP3 184 36.797 53.210 -0.938 1.00 0.00 WT1 H ATOM 3682 OH2 TIP3 185 42.142 8.959 -10.135 1.00 0.00 WT1 O ATOM 3683 H1 TIP3 185 42.574 9.336 -10.902 1.00 0.00 WT1 H ATOM 3684 H2 TIP3 185 42.798 8.375 -9.754 1.00 0.00 WT1 H ATOM 3685 OH2 TIP3 186 72.980 21.809 55.505 1.00 0.00 WT1 O ATOM 3686 H1 TIP3 186 72.314 21.323 55.019 1.00 0.00 WT1 H ATOM 3687 H2 TIP3 186 72.900 21.492 56.405 1.00 0.00 WT1 H ATOM 3688 OH2 TIP3 187 51.483 33.633 44.526 1.00 0.00 WT1 O ATOM 3689 H1 TIP3 187 51.706 32.996 43.848 1.00 0.00 WT1 H ATOM 3690 H2 TIP3 187 50.719 34.094 44.181 1.00 0.00 WT1 H ATOM 3691 OH2 TIP3 188 34.748 0.711 64.958 1.00 0.00 WT1 O ATOM 3692 H1 TIP3 188 34.842 0.580 64.014 1.00 0.00 WT1 H ATOM 3693 H2 TIP3 188 35.619 0.533 65.313 1.00 0.00 WT1 H ATOM 3694 OH2 TIP3 190 28.139 4.181 -0.298 1.00 0.00 WT1 O ATOM 3695 H1 TIP3 190 28.691 3.416 -0.135 1.00 0.00 WT1 H ATOM 3696 H2 TIP3 190 27.821 4.436 0.567 1.00 0.00 WT1 H ATOM 3697 OH2 TIP3 191 65.473 19.825 -0.318 1.00 0.00 WT1 O ATOM 3698 H1 TIP3 191 64.617 19.573 0.028 1.00 0.00 WT1 H ATOM 3699 H2 TIP3 191 65.715 20.603 0.185 1.00 0.00 WT1 H ATOM 3700 OH2 TIP3 192 27.255 60.376 13.800 1.00 0.00 WT1 O ATOM 3701 H1 TIP3 192 27.428 59.448 13.641 1.00 0.00 WT1 H ATOM 3702 H2 TIP3 192 28.106 60.801 13.689 1.00 0.00 WT1 H ATOM 3703 OH2 TIP3 193 26.549 11.521 43.948 1.00 0.00 WT1 O ATOM 3704 H1 TIP3 193 27.505 11.517 44.003 1.00 0.00 WT1 H ATOM 3705 H2 TIP3 193 26.302 12.428 44.124 1.00 0.00 WT1 H ATOM 3706 OH2 TIP3 195 86.915 40.541 11.499 1.00 0.00 WT1 O ATOM 3707 H1 TIP3 195 86.864 41.489 11.376 1.00 0.00 WT1 H ATOM 3708 H2 TIP3 195 87.564 40.423 12.192 1.00 0.00 WT1 H ATOM 3709 OH2 TIP3 196 74.839 62.878 63.441 1.00 0.00 WT1 O ATOM 3710 H1 TIP3 196 74.955 62.037 62.999 1.00 0.00 WT1 H ATOM 3711 H2 TIP3 196 73.912 63.084 63.325 1.00 0.00 WT1 H ATOM 3712 OH2 TIP3 198 69.707 96.774 10.010 1.00 0.00 WT1 O ATOM 3713 H1 TIP3 198 68.898 96.299 9.820 1.00 0.00 WT1 H ATOM 3714 H2 TIP3 198 70.309 96.510 9.315 1.00 0.00 WT1 H ATOM 3715 OH2 TIP3 199 63.829 38.470 -1.750 1.00 0.00 WT1 O ATOM 3716 H1 TIP3 199 64.010 38.519 -2.688 1.00 0.00 WT1 H ATOM 3717 H2 TIP3 199 64.474 39.054 -1.350 1.00 0.00 WT1 H ATOM 3718 OH2 TIP3 200 52.721 15.414 15.790 1.00 0.00 WT1 O ATOM 3719 H1 TIP3 200 52.389 16.312 15.785 1.00 0.00 WT1 H ATOM 3720 H2 TIP3 200 52.726 15.165 16.714 1.00 0.00 WT1 H ATOM 3721 OH2 TIP3 201 79.332 49.813 -13.424 1.00 0.00 WT1 O ATOM 3722 H1 TIP3 201 79.130 49.342 -12.616 1.00 0.00 WT1 H ATOM 3723 H2 TIP3 201 80.083 49.347 -13.792 1.00 0.00 WT1 H ATOM 3724 OH2 TIP3 202 21.619 43.488 65.838 1.00 0.00 WT1 O ATOM 3725 H1 TIP3 202 20.915 43.556 66.483 1.00 0.00 WT1 H ATOM 3726 H2 TIP3 202 22.379 43.877 66.270 1.00 0.00 WT1 H ATOM 3727 OH2 TIP3 203 55.426 44.532 -18.557 1.00 0.00 WT1 O ATOM 3728 H1 TIP3 203 55.663 45.247 -17.966 1.00 0.00 WT1 H ATOM 3729 H2 TIP3 203 56.233 44.335 -19.031 1.00 0.00 WT1 H ATOM 3730 OH2 TIP3 204 55.963 84.948 -9.953 1.00 0.00 WT1 O ATOM 3731 H1 TIP3 204 56.669 84.674 -10.538 1.00 0.00 WT1 H ATOM 3732 H2 TIP3 204 55.338 84.224 -9.975 1.00 0.00 WT1 H ATOM 3733 OH2 TIP3 205 71.151 48.650 36.584 1.00 0.00 WT1 O ATOM 3734 H1 TIP3 205 71.761 48.196 37.165 1.00 0.00 WT1 H ATOM 3735 H2 TIP3 205 70.537 49.086 37.175 1.00 0.00 WT1 H ATOM 3736 OH2 TIP3 206 34.764 53.980 1.575 1.00 0.00 WT1 O ATOM 3737 H1 TIP3 206 35.298 54.179 2.345 1.00 0.00 WT1 H ATOM 3738 H2 TIP3 206 35.399 53.778 0.888 1.00 0.00 WT1 H ATOM 3739 OH2 TIP3 207 55.344 21.847 23.601 1.00 0.00 WT1 O ATOM 3740 H1 TIP3 207 54.986 21.566 22.759 1.00 0.00 WT1 H ATOM 3741 H2 TIP3 207 54.734 22.518 23.909 1.00 0.00 WT1 H ATOM 3742 OH2 TIP3 208 41.653 43.292 13.509 1.00 0.00 WT1 O ATOM 3743 H1 TIP3 208 41.721 43.121 14.448 1.00 0.00 WT1 H ATOM 3744 H2 TIP3 208 41.786 44.236 13.426 1.00 0.00 WT1 H ATOM 3745 OH2 TIP3 209 82.659 16.532 48.255 1.00 0.00 WT1 O ATOM 3746 H1 TIP3 209 82.932 16.642 49.166 1.00 0.00 WT1 H ATOM 3747 H2 TIP3 209 82.306 15.643 48.216 1.00 0.00 WT1 H ATOM 3748 OH2 TIP3 210 90.363 48.705 33.149 1.00 0.00 WT1 O ATOM 3749 H1 TIP3 210 90.073 49.317 32.472 1.00 0.00 WT1 H ATOM 3750 H2 TIP3 210 89.555 48.314 33.480 1.00 0.00 WT1 H ATOM 3751 OH2 TIP3 211 72.534 5.496 63.724 1.00 0.00 WT1 O ATOM 3752 H1 TIP3 211 71.768 5.044 64.078 1.00 0.00 WT1 H ATOM 3753 H2 TIP3 211 73.189 4.807 63.613 1.00 0.00 WT1 H ATOM 3754 OH2 TIP3 212 65.061 21.210 36.163 1.00 0.00 WT1 O ATOM 3755 H1 TIP3 212 65.964 21.484 35.999 1.00 0.00 WT1 H ATOM 3756 H2 TIP3 212 64.529 21.824 35.656 1.00 0.00 WT1 H ATOM 3757 OH2 TIP3 213 71.119 48.541 42.403 1.00 0.00 WT1 O ATOM 3758 H1 TIP3 213 71.357 49.442 42.181 1.00 0.00 WT1 H ATOM 3759 H2 TIP3 213 70.461 48.630 43.092 1.00 0.00 WT1 H ATOM 3760 OH2 TIP3 214 51.558 85.413 22.275 1.00 0.00 WT1 O ATOM 3761 H1 TIP3 214 50.823 84.824 22.103 1.00 0.00 WT1 H ATOM 3762 H2 TIP3 214 51.982 85.046 23.051 1.00 0.00 WT1 H ATOM 3763 OH2 TIP3 215 83.744 44.297 16.084 1.00 0.00 WT1 O ATOM 3764 H1 TIP3 215 83.902 44.053 16.996 1.00 0.00 WT1 H ATOM 3765 H2 TIP3 215 83.018 44.919 16.124 1.00 0.00 WT1 H ATOM 3766 OH2 TIP3 216 51.921 69.883 40.712 1.00 0.00 WT1 O ATOM 3767 H1 TIP3 216 51.737 69.477 41.559 1.00 0.00 WT1 H ATOM 3768 H2 TIP3 216 51.258 69.523 40.124 1.00 0.00 WT1 H ATOM 3769 OH2 TIP3 217 83.081 12.612 52.532 1.00 0.00 WT1 O ATOM 3770 H1 TIP3 217 83.707 11.943 52.256 1.00 0.00 WT1 H ATOM 3771 H2 TIP3 217 82.263 12.369 52.098 1.00 0.00 WT1 H ATOM 3772 OH2 TIP3 219 47.891 31.733 14.556 1.00 0.00 WT1 O ATOM 3773 H1 TIP3 219 48.060 31.492 15.467 1.00 0.00 WT1 H ATOM 3774 H2 TIP3 219 47.202 32.395 14.607 1.00 0.00 WT1 H ATOM 3775 OH2 TIP3 220 82.363 31.972 -1.699 1.00 0.00 WT1 O ATOM 3776 H1 TIP3 220 81.553 32.383 -2.001 1.00 0.00 WT1 H ATOM 3777 H2 TIP3 220 82.395 32.165 -0.762 1.00 0.00 WT1 H ATOM 3778 OH2 TIP3 221 63.977 29.076 48.289 1.00 0.00 WT1 O ATOM 3779 H1 TIP3 221 63.165 29.194 48.782 1.00 0.00 WT1 H ATOM 3780 H2 TIP3 221 63.692 28.962 47.382 1.00 0.00 WT1 H ATOM 3781 OH2 TIP3 222 41.088 35.041 -9.425 1.00 0.00 WT1 O ATOM 3782 H1 TIP3 222 41.011 35.769 -8.807 1.00 0.00 WT1 H ATOM 3783 H2 TIP3 222 41.629 35.385 -10.135 1.00 0.00 WT1 H ATOM 3784 OH2 TIP3 223 21.315 85.520 56.100 1.00 0.00 WT1 O ATOM 3785 H1 TIP3 223 22.175 85.488 56.518 1.00 0.00 WT1 H ATOM 3786 H2 TIP3 223 20.849 86.218 56.561 1.00 0.00 WT1 H ATOM 3787 OH2 TIP3 224 20.771 31.224 9.797 1.00 0.00 WT1 O ATOM 3788 H1 TIP3 224 21.056 30.795 10.604 1.00 0.00 WT1 H ATOM 3789 H2 TIP3 224 21.520 31.756 9.530 1.00 0.00 WT1 H ATOM 3790 OH2 TIP3 225 72.192 87.549 47.572 1.00 0.00 WT1 O ATOM 3791 H1 TIP3 225 71.374 87.525 48.069 1.00 0.00 WT1 H ATOM 3792 H2 TIP3 225 72.476 86.635 47.533 1.00 0.00 WT1 H ATOM 3793 OH2 TIP3 226 47.370 25.268 47.853 1.00 0.00 WT1 O ATOM 3794 H1 TIP3 226 47.658 25.589 48.708 1.00 0.00 WT1 H ATOM 3795 H2 TIP3 226 46.937 26.019 47.447 1.00 0.00 WT1 H ATOM 3796 OH2 TIP3 227 24.028 47.654 -11.245 1.00 0.00 WT1 O ATOM 3797 H1 TIP3 227 24.368 48.536 -11.394 1.00 0.00 WT1 H ATOM 3798 H2 TIP3 227 23.126 47.687 -11.564 1.00 0.00 WT1 H ATOM 3799 OH2 TIP3 228 20.922 21.202 -10.725 1.00 0.00 WT1 O ATOM 3800 H1 TIP3 228 20.681 21.376 -9.815 1.00 0.00 WT1 H ATOM 3801 H2 TIP3 228 20.481 21.889 -11.225 1.00 0.00 WT1 H ATOM 3802 OH2 TIP3 229 53.424 2.025 59.587 1.00 0.00 WT1 O ATOM 3803 H1 TIP3 229 53.681 1.126 59.386 1.00 0.00 WT1 H ATOM 3804 H2 TIP3 229 54.108 2.565 59.191 1.00 0.00 WT1 H ATOM 3805 OH2 TIP3 230 34.178 52.976 -15.240 1.00 0.00 WT1 O ATOM 3806 H1 TIP3 230 34.391 52.440 -14.476 1.00 0.00 WT1 H ATOM 3807 H2 TIP3 230 34.788 53.712 -15.195 1.00 0.00 WT1 H ATOM 3808 OH2 TIP3 231 84.720 42.274 -19.308 1.00 0.00 WT1 O ATOM 3809 H1 TIP3 231 85.672 42.328 -19.399 1.00 0.00 WT1 H ATOM 3810 H2 TIP3 231 84.380 42.703 -20.094 1.00 0.00 WT1 H ATOM 3811 OH2 TIP3 232 57.984 89.150 42.520 1.00 0.00 WT1 O ATOM 3812 H1 TIP3 232 58.120 88.215 42.368 1.00 0.00 WT1 H ATOM 3813 H2 TIP3 232 58.847 89.481 42.768 1.00 0.00 WT1 H ATOM 3814 OH2 TIP3 233 78.101 43.071 -13.250 1.00 0.00 WT1 O ATOM 3815 H1 TIP3 233 77.250 42.936 -13.666 1.00 0.00 WT1 H ATOM 3816 H2 TIP3 233 77.924 43.683 -12.535 1.00 0.00 WT1 H ATOM 3817 OH2 TIP3 234 28.155 80.122 28.588 1.00 0.00 WT1 O ATOM 3818 H1 TIP3 234 28.203 80.820 29.241 1.00 0.00 WT1 H ATOM 3819 H2 TIP3 234 27.250 79.814 28.633 1.00 0.00 WT1 H ATOM 3820 OH2 TIP3 235 36.282 60.259 -3.465 1.00 0.00 WT1 O ATOM 3821 H1 TIP3 235 35.834 61.065 -3.720 1.00 0.00 WT1 H ATOM 3822 H2 TIP3 235 35.674 59.826 -2.865 1.00 0.00 WT1 H ATOM 3823 OH2 TIP3 236 83.055 48.854 -2.104 1.00 0.00 WT1 O ATOM 3824 H1 TIP3 236 82.336 48.533 -2.647 1.00 0.00 WT1 H ATOM 3825 H2 TIP3 236 82.913 48.446 -1.251 1.00 0.00 WT1 H ATOM 3826 OH2 TIP3 237 39.066 43.850 -4.487 1.00 0.00 WT1 O ATOM 3827 H1 TIP3 237 39.060 44.099 -3.562 1.00 0.00 WT1 H ATOM 3828 H2 TIP3 237 39.832 44.294 -4.850 1.00 0.00 WT1 H ATOM 3829 OH2 TIP3 238 69.105 52.640 26.282 1.00 0.00 WT1 O ATOM 3830 H1 TIP3 238 68.543 52.911 27.008 1.00 0.00 WT1 H ATOM 3831 H2 TIP3 238 68.667 52.977 25.501 1.00 0.00 WT1 H ATOM 3832 OH2 TIP3 239 36.908 15.116 37.451 1.00 0.00 WT1 O ATOM 3833 H1 TIP3 239 37.068 15.862 36.873 1.00 0.00 WT1 H ATOM 3834 H2 TIP3 239 37.319 15.362 38.280 1.00 0.00 WT1 H ATOM 3835 OH2 TIP3 240 77.461 62.509 17.447 1.00 0.00 WT1 O ATOM 3836 H1 TIP3 240 76.748 62.027 17.027 1.00 0.00 WT1 H ATOM 3837 H2 TIP3 240 77.391 63.396 17.094 1.00 0.00 WT1 H ATOM 3838 OH2 TIP3 241 78.272 21.720 -17.055 1.00 0.00 WT1 O ATOM 3839 H1 TIP3 241 78.811 21.147 -17.601 1.00 0.00 WT1 H ATOM 3840 H2 TIP3 241 78.812 22.498 -16.916 1.00 0.00 WT1 H ATOM 3841 OH2 TIP3 242 86.207 39.434 23.050 1.00 0.00 WT1 O ATOM 3842 H1 TIP3 242 85.854 40.323 23.016 1.00 0.00 WT1 H ATOM 3843 H2 TIP3 242 86.791 39.378 22.294 1.00 0.00 WT1 H ATOM 3844 OH2 TIP3 243 72.865 49.397 18.168 1.00 0.00 WT1 O ATOM 3845 H1 TIP3 243 72.404 50.151 18.535 1.00 0.00 WT1 H ATOM 3846 H2 TIP3 243 72.183 48.736 18.046 1.00 0.00 WT1 H ATOM 3847 OH2 TIP3 244 78.736 37.702 -0.390 1.00 0.00 WT1 O ATOM 3848 H1 TIP3 244 78.375 37.613 -1.272 1.00 0.00 WT1 H ATOM 3849 H2 TIP3 244 78.143 37.196 0.165 1.00 0.00 WT1 H ATOM 3850 OH2 TIP3 245 33.840 15.920 -15.952 1.00 0.00 WT1 O ATOM 3851 H1 TIP3 245 33.274 16.425 -15.368 1.00 0.00 WT1 H ATOM 3852 H2 TIP3 245 34.428 16.570 -16.337 1.00 0.00 WT1 H ATOM 3853 OH2 TIP3 246 47.847 43.423 23.079 1.00 0.00 WT1 O ATOM 3854 H1 TIP3 246 47.203 44.071 23.365 1.00 0.00 WT1 H ATOM 3855 H2 TIP3 246 48.648 43.928 22.936 1.00 0.00 WT1 H ATOM 3856 OH2 TIP3 247 37.508 38.921 62.926 1.00 0.00 WT1 O ATOM 3857 H1 TIP3 247 36.626 39.043 63.278 1.00 0.00 WT1 H ATOM 3858 H2 TIP3 247 37.781 39.797 62.654 1.00 0.00 WT1 H ATOM 3859 OH2 TIP3 248 33.072 89.710 40.951 1.00 0.00 WT1 O ATOM 3860 H1 TIP3 248 33.609 89.253 41.599 1.00 0.00 WT1 H ATOM 3861 H2 TIP3 248 32.938 89.067 40.255 1.00 0.00 WT1 H ATOM 3862 OH2 TIP3 249 33.192 76.853 29.266 1.00 0.00 WT1 O ATOM 3863 H1 TIP3 249 33.580 76.029 29.559 1.00 0.00 WT1 H ATOM 3864 H2 TIP3 249 33.904 77.490 29.330 1.00 0.00 WT1 H ATOM 3865 OH2 TIP3 250 25.084 28.757 -19.616 1.00 0.00 WT1 O ATOM 3866 H1 TIP3 250 25.885 29.273 -19.703 1.00 0.00 WT1 H ATOM 3867 H2 TIP3 250 24.813 28.887 -18.707 1.00 0.00 WT1 H ATOM 3868 OH2 TIP3 251 53.014 8.344 62.643 1.00 0.00 WT1 O ATOM 3869 H1 TIP3 251 52.714 7.528 62.243 1.00 0.00 WT1 H ATOM 3870 H2 TIP3 251 53.112 8.135 63.572 1.00 0.00 WT1 H ATOM 3871 OH2 TIP3 252 65.496 94.623 -7.010 1.00 0.00 WT1 O ATOM 3872 H1 TIP3 252 65.323 95.100 -6.199 1.00 0.00 WT1 H ATOM 3873 H2 TIP3 252 65.754 93.747 -6.724 1.00 0.00 WT1 H ATOM 3874 OH2 TIP3 253 78.583 67.324 5.126 1.00 0.00 WT1 O ATOM 3875 H1 TIP3 253 79.211 67.035 4.464 1.00 0.00 WT1 H ATOM 3876 H2 TIP3 253 77.733 67.040 4.791 1.00 0.00 WT1 H ATOM 3877 OH2 TIP3 254 89.430 61.538 45.852 1.00 0.00 WT1 O ATOM 3878 H1 TIP3 254 89.487 62.199 46.543 1.00 0.00 WT1 H ATOM 3879 H2 TIP3 254 88.627 61.755 45.378 1.00 0.00 WT1 H ATOM 3880 OH2 TIP3 255 67.381 19.793 47.990 1.00 0.00 WT1 O ATOM 3881 H1 TIP3 255 67.034 19.957 48.867 1.00 0.00 WT1 H ATOM 3882 H2 TIP3 255 67.032 20.507 47.457 1.00 0.00 WT1 H ATOM 3883 OH2 TIP3 256 90.255 47.098 8.588 1.00 0.00 WT1 O ATOM 3884 H1 TIP3 256 90.866 47.144 7.853 1.00 0.00 WT1 H ATOM 3885 H2 TIP3 256 90.109 46.161 8.721 1.00 0.00 WT1 H ATOM 3886 OH2 TIP3 257 80.604 75.416 -7.699 1.00 0.00 WT1 O ATOM 3887 H1 TIP3 257 79.789 75.053 -7.353 1.00 0.00 WT1 H ATOM 3888 H2 TIP3 257 81.178 75.487 -6.936 1.00 0.00 WT1 H ATOM 3889 OH2 TIP3 258 52.633 77.419 35.393 1.00 0.00 WT1 O ATOM 3890 H1 TIP3 258 51.950 77.222 34.751 1.00 0.00 WT1 H ATOM 3891 H2 TIP3 258 52.603 78.370 35.491 1.00 0.00 WT1 H ATOM 3892 OH2 TIP3 259 40.034 71.316 4.103 1.00 0.00 WT1 O ATOM 3893 H1 TIP3 259 39.948 70.668 4.802 1.00 0.00 WT1 H ATOM 3894 H2 TIP3 259 39.422 72.012 4.345 1.00 0.00 WT1 H ATOM 3895 OH2 TIP3 260 84.717 36.913 20.694 1.00 0.00 WT1 O ATOM 3896 H1 TIP3 260 85.388 37.085 20.034 1.00 0.00 WT1 H ATOM 3897 H2 TIP3 260 83.908 37.247 20.307 1.00 0.00 WT1 H ATOM 3898 OH2 TIP3 261 47.151 5.482 57.021 1.00 0.00 WT1 O ATOM 3899 H1 TIP3 261 47.244 4.579 56.717 1.00 0.00 WT1 H ATOM 3900 H2 TIP3 261 46.440 5.841 56.490 1.00 0.00 WT1 H ATOM 3901 OH2 TIP3 262 41.843 41.593 9.640 1.00 0.00 WT1 O ATOM 3902 H1 TIP3 262 42.564 42.182 9.417 1.00 0.00 WT1 H ATOM 3903 H2 TIP3 262 42.150 41.118 10.412 1.00 0.00 WT1 H ATOM 3904 OH2 TIP3 263 63.892 55.100 29.183 1.00 0.00 WT1 O ATOM 3905 H1 TIP3 263 63.005 54.917 28.876 1.00 0.00 WT1 H ATOM 3906 H2 TIP3 263 64.294 55.600 28.472 1.00 0.00 WT1 H ATOM 3907 OH2 TIP3 264 70.396 95.521 37.819 1.00 0.00 WT1 O ATOM 3908 H1 TIP3 264 70.357 95.056 36.983 1.00 0.00 WT1 H ATOM 3909 H2 TIP3 264 71.299 95.833 37.878 1.00 0.00 WT1 H ATOM 3910 OH2 TIP3 265 48.155 66.582 56.263 1.00 0.00 WT1 O ATOM 3911 H1 TIP3 265 48.822 65.896 56.286 1.00 0.00 WT1 H ATOM 3912 H2 TIP3 265 48.447 67.222 56.912 1.00 0.00 WT1 H ATOM 3913 OH2 TIP3 266 55.687 9.684 -4.873 1.00 0.00 WT1 O ATOM 3914 H1 TIP3 266 55.925 9.535 -5.787 1.00 0.00 WT1 H ATOM 3915 H2 TIP3 266 56.524 9.746 -4.413 1.00 0.00 WT1 H ATOM 3916 OH2 TIP3 267 80.330 27.860 -19.256 1.00 0.00 WT1 O ATOM 3917 H1 TIP3 267 81.141 27.587 -18.827 1.00 0.00 WT1 H ATOM 3918 H2 TIP3 267 80.431 28.803 -19.382 1.00 0.00 WT1 H ATOM 3919 OH2 TIP3 268 64.372 13.719 54.223 1.00 0.00 WT1 O ATOM 3920 H1 TIP3 268 64.351 12.861 53.801 1.00 0.00 WT1 H ATOM 3921 H2 TIP3 268 64.661 13.539 55.118 1.00 0.00 WT1 H ATOM 3922 OH2 TIP3 269 72.228 25.956 37.009 1.00 0.00 WT1 O ATOM 3923 H1 TIP3 269 72.826 25.223 36.862 1.00 0.00 WT1 H ATOM 3924 H2 TIP3 269 72.701 26.721 36.681 1.00 0.00 WT1 H ATOM 3925 OH2 TIP3 270 51.085 38.965 44.192 1.00 0.00 WT1 O ATOM 3926 H1 TIP3 270 51.525 39.545 43.569 1.00 0.00 WT1 H ATOM 3927 H2 TIP3 270 50.183 38.916 43.878 1.00 0.00 WT1 H ATOM 3928 OH2 TIP3 271 29.131 29.811 2.846 1.00 0.00 WT1 O ATOM 3929 H1 TIP3 271 28.325 29.808 3.361 1.00 0.00 WT1 H ATOM 3930 H2 TIP3 271 28.853 30.065 1.966 1.00 0.00 WT1 H ATOM 3931 OH2 TIP3 272 88.289 66.234 16.246 1.00 0.00 WT1 O ATOM 3932 H1 TIP3 272 88.311 65.948 15.332 1.00 0.00 WT1 H ATOM 3933 H2 TIP3 272 87.381 66.101 16.517 1.00 0.00 WT1 H ATOM 3934 OH2 TIP3 273 70.308 13.596 -17.035 1.00 0.00 WT1 O ATOM 3935 H1 TIP3 273 70.098 12.703 -16.758 1.00 0.00 WT1 H ATOM 3936 H2 TIP3 273 69.701 13.773 -17.754 1.00 0.00 WT1 H ATOM 3937 OH2 TIP3 274 68.703 19.575 -4.861 1.00 0.00 WT1 O ATOM 3938 H1 TIP3 274 68.389 18.727 -4.546 1.00 0.00 WT1 H ATOM 3939 H2 TIP3 274 68.528 20.179 -4.139 1.00 0.00 WT1 H ATOM 3940 OH2 TIP3 275 36.131 96.296 43.111 1.00 0.00 WT1 O ATOM 3941 H1 TIP3 275 36.591 95.732 43.732 1.00 0.00 WT1 H ATOM 3942 H2 TIP3 275 35.537 95.708 42.646 1.00 0.00 WT1 H ATOM 3943 OH2 TIP3 276 34.075 63.079 64.817 1.00 0.00 WT1 O ATOM 3944 H1 TIP3 276 33.170 62.849 65.029 1.00 0.00 WT1 H ATOM 3945 H2 TIP3 276 34.027 63.461 63.941 1.00 0.00 WT1 H ATOM 3946 OH2 TIP3 277 21.137 73.250 32.463 1.00 0.00 WT1 O ATOM 3947 H1 TIP3 277 20.579 73.571 33.172 1.00 0.00 WT1 H ATOM 3948 H2 TIP3 277 21.884 72.849 32.908 1.00 0.00 WT1 H ATOM 3949 OH2 TIP3 278 75.263 29.144 40.088 1.00 0.00 WT1 O ATOM 3950 H1 TIP3 278 74.398 28.874 39.781 1.00 0.00 WT1 H ATOM 3951 H2 TIP3 278 75.838 28.414 39.856 1.00 0.00 WT1 H ATOM 3952 OH2 TIP3 279 75.980 43.645 64.933 1.00 0.00 WT1 O ATOM 3953 H1 TIP3 279 75.659 43.966 65.776 1.00 0.00 WT1 H ATOM 3954 H2 TIP3 279 75.396 44.043 64.287 1.00 0.00 WT1 H ATOM 3955 OH2 TIP3 280 90.284 11.938 39.678 1.00 0.00 WT1 O ATOM 3956 H1 TIP3 280 90.980 12.146 40.302 1.00 0.00 WT1 H ATOM 3957 H2 TIP3 280 90.467 11.038 39.406 1.00 0.00 WT1 H ATOM 3958 OH2 TIP3 281 41.675 9.704 55.114 1.00 0.00 WT1 O ATOM 3959 H1 TIP3 281 41.504 9.829 56.047 1.00 0.00 WT1 H ATOM 3960 H2 TIP3 281 42.526 10.116 54.968 1.00 0.00 WT1 H ATOM 3961 OH2 TIP3 282 58.452 36.681 0.569 1.00 0.00 WT1 O ATOM 3962 H1 TIP3 282 57.544 36.394 0.468 1.00 0.00 WT1 H ATOM 3963 H2 TIP3 282 58.389 37.530 1.005 1.00 0.00 WT1 H ATOM 3964 OH2 TIP3 283 67.036 75.835 52.391 1.00 0.00 WT1 O ATOM 3965 H1 TIP3 283 67.139 75.801 51.440 1.00 0.00 WT1 H ATOM 3966 H2 TIP3 283 67.591 75.127 52.718 1.00 0.00 WT1 H ATOM 3967 OH2 TIP3 284 29.550 20.685 47.236 1.00 0.00 WT1 O ATOM 3968 H1 TIP3 284 29.360 21.084 48.085 1.00 0.00 WT1 H ATOM 3969 H2 TIP3 284 30.230 20.038 47.422 1.00 0.00 WT1 H ATOM 3970 OH2 TIP3 285 21.202 80.508 57.675 1.00 0.00 WT1 O ATOM 3971 H1 TIP3 285 21.159 81.125 56.945 1.00 0.00 WT1 H ATOM 3972 H2 TIP3 285 21.829 80.900 58.283 1.00 0.00 WT1 H ATOM 3973 OH2 TIP3 286 87.391 49.083 -8.265 1.00 0.00 WT1 O ATOM 3974 H1 TIP3 286 87.235 49.933 -7.853 1.00 0.00 WT1 H ATOM 3975 H2 TIP3 286 87.093 48.444 -7.618 1.00 0.00 WT1 H ATOM 3976 OH2 TIP3 287 29.336 26.409 51.747 1.00 0.00 WT1 O ATOM 3977 H1 TIP3 287 29.475 26.181 50.827 1.00 0.00 WT1 H ATOM 3978 H2 TIP3 287 28.803 25.694 52.094 1.00 0.00 WT1 H ATOM 3979 OH2 TIP3 288 71.117 57.113 30.802 1.00 0.00 WT1 O ATOM 3980 H1 TIP3 288 70.475 57.820 30.733 1.00 0.00 WT1 H ATOM 3981 H2 TIP3 288 70.704 56.469 31.377 1.00 0.00 WT1 H ATOM 3982 OH2 TIP3 289 67.901 48.781 29.638 1.00 0.00 WT1 O ATOM 3983 H1 TIP3 289 67.337 49.010 30.377 1.00 0.00 WT1 H ATOM 3984 H2 TIP3 289 67.370 48.968 28.864 1.00 0.00 WT1 H ATOM 3985 OH2 TIP3 290 31.115 76.197 43.830 1.00 0.00 WT1 O ATOM 3986 H1 TIP3 290 30.727 75.342 43.645 1.00 0.00 WT1 H ATOM 3987 H2 TIP3 290 32.055 76.064 43.715 1.00 0.00 WT1 H ATOM 3988 OH2 TIP3 291 82.970 43.170 8.119 1.00 0.00 WT1 O ATOM 3989 H1 TIP3 291 82.057 43.117 8.400 1.00 0.00 WT1 H ATOM 3990 H2 TIP3 291 83.347 42.326 8.368 1.00 0.00 WT1 H ATOM 3991 OH2 TIP3 292 26.638 54.146 37.259 1.00 0.00 WT1 O ATOM 3992 H1 TIP3 292 27.088 54.720 36.638 1.00 0.00 WT1 H ATOM 3993 H2 TIP3 292 26.505 53.330 36.778 1.00 0.00 WT1 H ATOM 3994 OH2 TIP3 293 80.914 64.640 1.536 1.00 0.00 WT1 O ATOM 3995 H1 TIP3 293 80.332 64.226 0.899 1.00 0.00 WT1 H ATOM 3996 H2 TIP3 293 81.363 63.910 1.962 1.00 0.00 WT1 H ATOM 3997 OH2 TIP3 294 68.309 32.940 57.702 1.00 0.00 WT1 O ATOM 3998 H1 TIP3 294 68.439 32.811 56.763 1.00 0.00 WT1 H ATOM 3999 H2 TIP3 294 67.546 32.402 57.914 1.00 0.00 WT1 H ATOM 4000 OH2 TIP3 295 57.999 88.503 64.569 1.00 0.00 WT1 O ATOM 4001 H1 TIP3 295 58.874 88.501 64.181 1.00 0.00 WT1 H ATOM 4002 H2 TIP3 295 58.155 88.534 65.513 1.00 0.00 WT1 H ATOM 4003 OH2 TIP3 296 42.347 56.579 40.169 1.00 0.00 WT1 O ATOM 4004 H1 TIP3 296 43.098 57.172 40.155 1.00 0.00 WT1 H ATOM 4005 H2 TIP3 296 42.035 56.565 39.264 1.00 0.00 WT1 H ATOM 4006 OH2 TIP3 297 88.186 39.803 20.589 1.00 0.00 WT1 O ATOM 4007 H1 TIP3 297 88.061 40.684 20.942 1.00 0.00 WT1 H ATOM 4008 H2 TIP3 297 88.305 39.937 19.648 1.00 0.00 WT1 H ATOM 4009 OH2 TIP3 298 78.443 42.509 22.560 1.00 0.00 WT1 O ATOM 4010 H1 TIP3 298 77.597 42.103 22.372 1.00 0.00 WT1 H ATOM 4011 H2 TIP3 298 78.725 42.105 23.381 1.00 0.00 WT1 H ATOM 4012 OH2 TIP3 299 74.779 43.763 -12.640 1.00 0.00 WT1 O ATOM 4013 H1 TIP3 299 75.591 43.984 -12.185 1.00 0.00 WT1 H ATOM 4014 H2 TIP3 299 74.086 43.993 -12.020 1.00 0.00 WT1 H ATOM 4015 OH2 TIP3 300 43.560 78.538 21.737 1.00 0.00 WT1 O ATOM 4016 H1 TIP3 300 43.235 77.811 22.269 1.00 0.00 WT1 H ATOM 4017 H2 TIP3 300 44.497 78.575 21.929 1.00 0.00 WT1 H ATOM 4018 OH2 TIP3 301 46.359 2.618 27.721 1.00 0.00 WT1 O ATOM 4019 H1 TIP3 301 46.340 1.670 27.590 1.00 0.00 WT1 H ATOM 4020 H2 TIP3 301 46.677 2.969 26.889 1.00 0.00 WT1 H ATOM 4021 OH2 TIP3 302 57.488 5.036 6.341 1.00 0.00 WT1 O ATOM 4022 H1 TIP3 302 58.224 4.453 6.527 1.00 0.00 WT1 H ATOM 4023 H2 TIP3 302 57.655 5.812 6.877 1.00 0.00 WT1 H ATOM 4024 OH2 TIP3 303 39.631 46.760 -11.284 1.00 0.00 WT1 O ATOM 4025 H1 TIP3 303 39.775 47.201 -12.121 1.00 0.00 WT1 H ATOM 4026 H2 TIP3 303 39.996 47.358 -10.632 1.00 0.00 WT1 H ATOM 4027 OH2 TIP3 304 59.499 25.124 13.859 1.00 0.00 WT1 O ATOM 4028 H1 TIP3 304 59.438 24.220 14.168 1.00 0.00 WT1 H ATOM 4029 H2 TIP3 304 59.647 25.639 14.652 1.00 0.00 WT1 H ATOM 4030 OH2 TIP3 305 29.102 46.012 15.368 1.00 0.00 WT1 O ATOM 4031 H1 TIP3 305 29.985 45.999 15.740 1.00 0.00 WT1 H ATOM 4032 H2 TIP3 305 29.217 46.375 14.490 1.00 0.00 WT1 H ATOM 4033 OH2 TIP3 306 75.553 84.006 15.850 1.00 0.00 WT1 O ATOM 4034 H1 TIP3 306 76.300 84.518 16.161 1.00 0.00 WT1 H ATOM 4035 H2 TIP3 306 74.854 84.198 16.475 1.00 0.00 WT1 H ATOM 4036 OH2 TIP3 307 48.164 66.711 -10.860 1.00 0.00 WT1 O ATOM 4037 H1 TIP3 307 48.614 66.922 -10.042 1.00 0.00 WT1 H ATOM 4038 H2 TIP3 307 47.643 65.935 -10.655 1.00 0.00 WT1 H ATOM 4039 OH2 TIP3 308 36.683 81.185 -0.535 1.00 0.00 WT1 O ATOM 4040 H1 TIP3 308 37.503 81.567 -0.848 1.00 0.00 WT1 H ATOM 4041 H2 TIP3 308 36.563 80.401 -1.070 1.00 0.00 WT1 H ATOM 4042 OH2 TIP3 309 51.432 90.653 3.394 1.00 0.00 WT1 O ATOM 4043 H1 TIP3 309 51.872 89.848 3.668 1.00 0.00 WT1 H ATOM 4044 H2 TIP3 309 51.367 91.175 4.194 1.00 0.00 WT1 H ATOM 4045 OH2 TIP3 311 46.392 61.667 65.346 1.00 0.00 WT1 O ATOM 4046 H1 TIP3 311 46.404 61.811 66.293 1.00 0.00 WT1 H ATOM 4047 H2 TIP3 311 47.311 61.531 65.114 1.00 0.00 WT1 H ATOM 4048 OH2 TIP3 312 21.121 52.470 34.053 1.00 0.00 WT1 O ATOM 4049 H1 TIP3 312 20.808 51.625 33.731 1.00 0.00 WT1 H ATOM 4050 H2 TIP3 312 20.637 52.611 34.867 1.00 0.00 WT1 H ATOM 4051 OH2 TIP3 313 60.254 1.410 55.335 1.00 0.00 WT1 O ATOM 4052 H1 TIP3 313 59.905 1.356 56.224 1.00 0.00 WT1 H ATOM 4053 H2 TIP3 313 59.480 1.484 54.777 1.00 0.00 WT1 H ATOM 4054 OH2 TIP3 314 24.096 36.160 32.134 1.00 0.00 WT1 O ATOM 4055 H1 TIP3 314 24.073 36.655 32.953 1.00 0.00 WT1 H ATOM 4056 H2 TIP3 314 24.657 36.679 31.556 1.00 0.00 WT1 H ATOM 4057 OH2 TIP3 316 50.899 36.638 45.611 1.00 0.00 WT1 O ATOM 4058 H1 TIP3 316 51.555 36.223 46.171 1.00 0.00 WT1 H ATOM 4059 H2 TIP3 316 51.245 37.515 45.446 1.00 0.00 WT1 H ATOM 4060 OH2 TIP3 317 37.232 49.368 41.565 1.00 0.00 WT1 O ATOM 4061 H1 TIP3 317 37.955 49.919 41.865 1.00 0.00 WT1 H ATOM 4062 H2 TIP3 317 37.479 48.482 41.830 1.00 0.00 WT1 H ATOM 4063 OH2 TIP3 318 43.522 93.755 53.587 1.00 0.00 WT1 O ATOM 4064 H1 TIP3 318 44.094 92.988 53.557 1.00 0.00 WT1 H ATOM 4065 H2 TIP3 318 42.977 93.617 54.362 1.00 0.00 WT1 H ATOM 4066 OH2 TIP3 319 80.078 60.473 51.000 1.00 0.00 WT1 O ATOM 4067 H1 TIP3 319 80.883 60.433 50.484 1.00 0.00 WT1 H ATOM 4068 H2 TIP3 319 80.026 59.619 51.429 1.00 0.00 WT1 H ATOM 4069 OH2 TIP3 320 73.345 60.693 -0.751 1.00 0.00 WT1 O ATOM 4070 H1 TIP3 320 72.490 61.120 -0.810 1.00 0.00 WT1 H ATOM 4071 H2 TIP3 320 73.153 59.759 -0.831 1.00 0.00 WT1 H ATOM 4072 OH2 TIP3 321 45.443 36.286 -11.709 1.00 0.00 WT1 O ATOM 4073 H1 TIP3 321 44.922 36.500 -12.482 1.00 0.00 WT1 H ATOM 4074 H2 TIP3 321 44.809 35.942 -11.079 1.00 0.00 WT1 H ATOM 4075 OH2 TIP3 322 75.426 9.897 -11.881 1.00 0.00 WT1 O ATOM 4076 H1 TIP3 322 75.644 9.174 -12.470 1.00 0.00 WT1 H ATOM 4077 H2 TIP3 322 75.912 9.708 -11.079 1.00 0.00 WT1 H ATOM 4078 OH2 TIP3 324 31.830 69.039 26.380 1.00 0.00 WT1 O ATOM 4079 H1 TIP3 324 31.564 69.866 26.783 1.00 0.00 WT1 H ATOM 4080 H2 TIP3 324 31.834 69.220 25.440 1.00 0.00 WT1 H ATOM 4081 OH2 TIP3 325 46.812 38.586 5.493 1.00 0.00 WT1 O ATOM 4082 H1 TIP3 325 47.390 38.061 6.046 1.00 0.00 WT1 H ATOM 4083 H2 TIP3 325 46.637 39.374 6.008 1.00 0.00 WT1 H ATOM 4084 OH2 TIP3 326 29.419 58.063 -11.946 1.00 0.00 WT1 O ATOM 4085 H1 TIP3 326 29.766 57.171 -11.926 1.00 0.00 WT1 H ATOM 4086 H2 TIP3 326 28.656 58.036 -11.368 1.00 0.00 WT1 H ATOM 4087 OH2 TIP3 327 33.889 30.046 19.714 1.00 0.00 WT1 O ATOM 4088 H1 TIP3 327 33.540 29.703 18.892 1.00 0.00 WT1 H ATOM 4089 H2 TIP3 327 33.625 30.966 19.722 1.00 0.00 WT1 H ATOM 4090 OH2 TIP3 328 36.824 28.125 -9.250 1.00 0.00 WT1 O ATOM 4091 H1 TIP3 328 37.671 28.494 -9.000 1.00 0.00 WT1 H ATOM 4092 H2 TIP3 328 36.652 27.451 -8.591 1.00 0.00 WT1 H ATOM 4093 OH2 TIP3 329 22.561 88.834 37.480 1.00 0.00 WT1 O ATOM 4094 H1 TIP3 329 23.504 88.722 37.359 1.00 0.00 WT1 H ATOM 4095 H2 TIP3 329 22.204 88.835 36.592 1.00 0.00 WT1 H ATOM 4096 OH2 TIP3 330 37.607 60.039 -11.809 1.00 0.00 WT1 O ATOM 4097 H1 TIP3 330 38.446 59.720 -12.141 1.00 0.00 WT1 H ATOM 4098 H2 TIP3 330 37.646 60.988 -11.931 1.00 0.00 WT1 H ATOM 4099 OH2 TIP3 331 77.036 6.194 -9.464 1.00 0.00 WT1 O ATOM 4100 H1 TIP3 331 77.974 6.368 -9.538 1.00 0.00 WT1 H ATOM 4101 H2 TIP3 331 76.982 5.272 -9.211 1.00 0.00 WT1 H ATOM 4102 OH2 TIP3 332 87.477 68.822 9.399 1.00 0.00 WT1 O ATOM 4103 H1 TIP3 332 87.593 69.443 10.118 1.00 0.00 WT1 H ATOM 4104 H2 TIP3 332 86.861 68.173 9.740 1.00 0.00 WT1 H ATOM 4105 OH2 TIP3 333 61.726 73.662 59.601 1.00 0.00 WT1 O ATOM 4106 H1 TIP3 333 61.132 72.990 59.934 1.00 0.00 WT1 H ATOM 4107 H2 TIP3 333 62.043 73.312 58.769 1.00 0.00 WT1 H ATOM 4108 OH2 TIP3 335 72.330 51.563 37.886 1.00 0.00 WT1 O ATOM 4109 H1 TIP3 335 71.587 51.924 37.402 1.00 0.00 WT1 H ATOM 4110 H2 TIP3 335 71.983 51.382 38.760 1.00 0.00 WT1 H ATOM 4111 OH2 TIP3 336 51.460 50.320 40.558 1.00 0.00 WT1 O ATOM 4112 H1 TIP3 336 50.805 49.628 40.644 1.00 0.00 WT1 H ATOM 4113 H2 TIP3 336 52.006 50.232 41.340 1.00 0.00 WT1 H ATOM 4114 OH2 TIP3 337 59.176 54.418 -12.838 1.00 0.00 WT1 O ATOM 4115 H1 TIP3 337 58.266 54.125 -12.789 1.00 0.00 WT1 H ATOM 4116 H2 TIP3 337 59.692 53.630 -12.665 1.00 0.00 WT1 H ATOM 4117 OH2 TIP3 338 36.243 22.125 -20.000 1.00 0.00 WT1 O ATOM 4118 H1 TIP3 338 35.390 22.466 -20.269 1.00 0.00 WT1 H ATOM 4119 H2 TIP3 338 36.039 21.449 -19.354 1.00 0.00 WT1 H ATOM 4120 OH2 TIP3 339 48.884 36.534 58.873 1.00 0.00 WT1 O ATOM 4121 H1 TIP3 339 49.245 37.288 59.339 1.00 0.00 WT1 H ATOM 4122 H2 TIP3 339 49.314 36.551 58.018 1.00 0.00 WT1 H ATOM 4123 OH2 TIP3 340 86.654 51.911 19.374 1.00 0.00 WT1 O ATOM 4124 H1 TIP3 340 87.593 51.792 19.514 1.00 0.00 WT1 H ATOM 4125 H2 TIP3 340 86.329 51.035 19.169 1.00 0.00 WT1 H ATOM 4126 OH2 TIP3 341 81.765 71.604 51.917 1.00 0.00 WT1 O ATOM 4127 H1 TIP3 341 81.882 72.486 52.269 1.00 0.00 WT1 H ATOM 4128 H2 TIP3 341 82.217 71.035 52.539 1.00 0.00 WT1 H ATOM 4129 OH2 TIP3 342 66.914 21.846 59.854 1.00 0.00 WT1 O ATOM 4130 H1 TIP3 342 66.286 22.354 60.367 1.00 0.00 WT1 H ATOM 4131 H2 TIP3 342 66.430 21.063 59.589 1.00 0.00 WT1 H ATOM 4132 OH2 TIP3 343 77.206 65.517 19.807 1.00 0.00 WT1 O ATOM 4133 H1 TIP3 343 76.623 64.823 19.501 1.00 0.00 WT1 H ATOM 4134 H2 TIP3 343 77.091 65.524 20.758 1.00 0.00 WT1 H ATOM 4135 OH2 TIP3 344 89.085 92.437 10.639 1.00 0.00 WT1 O ATOM 4136 H1 TIP3 344 89.534 91.770 10.120 1.00 0.00 WT1 H ATOM 4137 H2 TIP3 344 89.065 92.078 11.526 1.00 0.00 WT1 H ATOM 4138 OH2 TIP3 345 32.947 25.468 32.433 1.00 0.00 WT1 O ATOM 4139 H1 TIP3 345 33.846 25.373 32.748 1.00 0.00 WT1 H ATOM 4140 H2 TIP3 345 33.038 25.622 31.492 1.00 0.00 WT1 H ATOM 4141 OH2 TIP3 346 80.147 53.378 2.029 1.00 0.00 WT1 O ATOM 4142 H1 TIP3 346 80.159 52.796 1.270 1.00 0.00 WT1 H ATOM 4143 H2 TIP3 346 79.358 53.908 1.912 1.00 0.00 WT1 H ATOM 4144 OH2 TIP3 347 30.901 73.599 10.381 1.00 0.00 WT1 O ATOM 4145 H1 TIP3 347 30.028 73.399 10.042 1.00 0.00 WT1 H ATOM 4146 H2 TIP3 347 30.771 74.362 10.944 1.00 0.00 WT1 H ATOM 4147 OH2 TIP3 348 29.228 21.678 38.325 1.00 0.00 WT1 O ATOM 4148 H1 TIP3 348 29.514 22.507 37.939 1.00 0.00 WT1 H ATOM 4149 H2 TIP3 348 28.273 21.733 38.330 1.00 0.00 WT1 H ATOM 4150 OH2 TIP3 349 31.846 66.101 20.017 1.00 0.00 WT1 O ATOM 4151 H1 TIP3 349 32.161 65.639 19.240 1.00 0.00 WT1 H ATOM 4152 H2 TIP3 349 32.410 66.871 20.083 1.00 0.00 WT1 H ATOM 4153 OH2 TIP3 350 35.593 40.326 29.371 1.00 0.00 WT1 O ATOM 4154 H1 TIP3 350 35.338 39.837 28.588 1.00 0.00 WT1 H ATOM 4155 H2 TIP3 350 36.542 40.212 29.427 1.00 0.00 WT1 H ATOM 4156 OH2 TIP3 352 75.312 77.031 28.864 1.00 0.00 WT1 O ATOM 4157 H1 TIP3 352 75.767 76.392 29.413 1.00 0.00 WT1 H ATOM 4158 H2 TIP3 352 74.383 76.845 28.999 1.00 0.00 WT1 H ATOM 4159 OH2 TIP3 353 70.168 59.108 17.445 1.00 0.00 WT1 O ATOM 4160 H1 TIP3 353 69.307 59.525 17.472 1.00 0.00 WT1 H ATOM 4161 H2 TIP3 353 70.137 58.448 18.138 1.00 0.00 WT1 H ATOM 4162 OH2 TIP3 355 79.507 70.784 64.577 1.00 0.00 WT1 O ATOM 4163 H1 TIP3 355 79.433 71.557 64.017 1.00 0.00 WT1 H ATOM 4164 H2 TIP3 355 78.920 70.142 64.177 1.00 0.00 WT1 H ATOM 4165 OH2 TIP3 356 88.706 18.750 0.435 1.00 0.00 WT1 O ATOM 4166 H1 TIP3 356 88.519 19.679 0.304 1.00 0.00 WT1 H ATOM 4167 H2 TIP3 356 88.381 18.561 1.315 1.00 0.00 WT1 H ATOM 4168 OH2 TIP3 357 74.766 41.661 50.008 1.00 0.00 WT1 O ATOM 4169 H1 TIP3 357 74.212 40.890 49.891 1.00 0.00 WT1 H ATOM 4170 H2 TIP3 357 75.160 41.545 50.873 1.00 0.00 WT1 H ATOM 4171 OH2 TIP3 358 45.376 10.062 58.906 1.00 0.00 WT1 O ATOM 4172 H1 TIP3 358 45.588 10.004 57.974 1.00 0.00 WT1 H ATOM 4173 H2 TIP3 358 46.135 9.682 59.348 1.00 0.00 WT1 H ATOM 4174 OH2 TIP3 359 75.587 32.992 28.943 1.00 0.00 WT1 O ATOM 4175 H1 TIP3 359 75.123 32.972 28.106 1.00 0.00 WT1 H ATOM 4176 H2 TIP3 359 75.453 32.119 29.312 1.00 0.00 WT1 H ATOM 4177 OH2 TIP3 360 35.318 18.827 4.609 1.00 0.00 WT1 O ATOM 4178 H1 TIP3 360 35.990 18.440 4.048 1.00 0.00 WT1 H ATOM 4179 H2 TIP3 360 35.716 19.633 4.939 1.00 0.00 WT1 H ATOM 4180 OH2 TIP3 361 26.461 62.613 -1.347 1.00 0.00 WT1 O ATOM 4181 H1 TIP3 361 26.928 63.395 -1.055 1.00 0.00 WT1 H ATOM 4182 H2 TIP3 361 27.121 61.919 -1.331 1.00 0.00 WT1 H ATOM 4183 OH2 TIP3 362 34.230 6.379 6.656 1.00 0.00 WT1 O ATOM 4184 H1 TIP3 362 34.464 5.493 6.377 1.00 0.00 WT1 H ATOM 4185 H2 TIP3 362 33.632 6.694 5.978 1.00 0.00 WT1 H ATOM 4186 OH2 TIP3 363 60.465 72.490 2.758 1.00 0.00 WT1 O ATOM 4187 H1 TIP3 363 60.504 72.185 3.664 1.00 0.00 WT1 H ATOM 4188 H2 TIP3 363 59.967 71.814 2.298 1.00 0.00 WT1 H ATOM 4189 OH2 TIP3 364 63.296 31.491 57.971 1.00 0.00 WT1 O ATOM 4190 H1 TIP3 364 63.042 32.262 58.478 1.00 0.00 WT1 H ATOM 4191 H2 TIP3 364 62.470 31.045 57.783 1.00 0.00 WT1 H ATOM 4192 OH2 TIP3 365 40.018 79.751 7.063 1.00 0.00 WT1 O ATOM 4193 H1 TIP3 365 39.142 80.001 6.766 1.00 0.00 WT1 H ATOM 4194 H2 TIP3 365 40.056 78.805 6.927 1.00 0.00 WT1 H ATOM 4195 OH2 TIP3 366 73.190 25.730 -17.418 1.00 0.00 WT1 O ATOM 4196 H1 TIP3 366 74.061 26.127 -17.421 1.00 0.00 WT1 H ATOM 4197 H2 TIP3 366 73.280 24.952 -17.968 1.00 0.00 WT1 H ATOM 4198 OH2 TIP3 367 43.644 89.729 18.380 1.00 0.00 WT1 O ATOM 4199 H1 TIP3 367 43.416 89.515 19.285 1.00 0.00 WT1 H ATOM 4200 H2 TIP3 367 43.697 88.881 17.939 1.00 0.00 WT1 H ATOM 4201 OH2 TIP3 368 25.193 57.975 30.845 1.00 0.00 WT1 O ATOM 4202 H1 TIP3 368 24.782 57.199 31.226 1.00 0.00 WT1 H ATOM 4203 H2 TIP3 368 25.761 57.631 30.155 1.00 0.00 WT1 H ATOM 4204 OH2 TIP3 369 29.123 60.019 4.740 1.00 0.00 WT1 O ATOM 4205 H1 TIP3 369 28.614 60.459 5.421 1.00 0.00 WT1 H ATOM 4206 H2 TIP3 369 29.975 59.854 5.145 1.00 0.00 WT1 H ATOM 4207 OH2 TIP3 370 81.571 34.260 -13.787 1.00 0.00 WT1 O ATOM 4208 H1 TIP3 370 81.702 34.181 -14.732 1.00 0.00 WT1 H ATOM 4209 H2 TIP3 370 81.427 33.361 -13.489 1.00 0.00 WT1 H ATOM 4210 OH2 TIP3 371 81.313 57.930 63.504 1.00 0.00 WT1 O ATOM 4211 H1 TIP3 371 80.713 57.900 64.249 1.00 0.00 WT1 H ATOM 4212 H2 TIP3 371 81.083 58.737 63.042 1.00 0.00 WT1 H ATOM 4213 OH2 TIP3 372 23.849 87.063 14.950 1.00 0.00 WT1 O ATOM 4214 H1 TIP3 372 24.153 86.790 15.816 1.00 0.00 WT1 H ATOM 4215 H2 TIP3 372 23.693 86.243 14.482 1.00 0.00 WT1 H ATOM 4216 OH2 TIP3 373 61.613 65.312 40.579 1.00 0.00 WT1 O ATOM 4217 H1 TIP3 373 61.329 64.737 39.868 1.00 0.00 WT1 H ATOM 4218 H2 TIP3 373 61.958 64.717 41.244 1.00 0.00 WT1 H ATOM 4219 OH2 TIP3 374 38.000 68.991 54.764 1.00 0.00 WT1 O ATOM 4220 H1 TIP3 374 38.823 68.623 55.086 1.00 0.00 WT1 H ATOM 4221 H2 TIP3 374 38.131 69.083 53.820 1.00 0.00 WT1 H ATOM 4222 OH2 TIP3 375 26.433 94.077 51.216 1.00 0.00 WT1 O ATOM 4223 H1 TIP3 375 25.552 94.304 51.516 1.00 0.00 WT1 H ATOM 4224 H2 TIP3 375 26.778 93.501 51.898 1.00 0.00 WT1 H ATOM 4225 OH2 TIP3 376 89.918 3.334 56.008 1.00 0.00 WT1 O ATOM 4226 H1 TIP3 376 89.507 2.498 55.785 1.00 0.00 WT1 H ATOM 4227 H2 TIP3 376 90.736 3.339 55.512 1.00 0.00 WT1 H ATOM 4228 OH2 TIP3 377 22.409 83.491 18.793 1.00 0.00 WT1 O ATOM 4229 H1 TIP3 377 23.271 83.195 18.501 1.00 0.00 WT1 H ATOM 4230 H2 TIP3 377 22.450 83.444 19.748 1.00 0.00 WT1 H ATOM 4231 OH2 TIP3 378 57.335 8.996 -7.297 1.00 0.00 WT1 O ATOM 4232 H1 TIP3 378 57.580 8.204 -6.817 1.00 0.00 WT1 H ATOM 4233 H2 TIP3 378 57.452 8.764 -8.218 1.00 0.00 WT1 H ATOM 4234 OH2 TIP3 379 32.251 95.629 56.656 1.00 0.00 WT1 O ATOM 4235 H1 TIP3 379 32.435 95.172 57.477 1.00 0.00 WT1 H ATOM 4236 H2 TIP3 379 33.031 95.483 56.121 1.00 0.00 WT1 H ATOM 4237 OH2 TIP3 380 40.611 46.431 53.701 1.00 0.00 WT1 O ATOM 4238 H1 TIP3 380 40.609 45.598 53.231 1.00 0.00 WT1 H ATOM 4239 H2 TIP3 380 39.709 46.540 54.001 1.00 0.00 WT1 H ATOM 4240 OH2 TIP3 381 64.126 61.674 62.667 1.00 0.00 WT1 O ATOM 4241 H1 TIP3 381 64.576 61.727 63.510 1.00 0.00 WT1 H ATOM 4242 H2 TIP3 381 63.339 62.207 62.782 1.00 0.00 WT1 H ATOM 4243 OH2 TIP3 382 56.350 8.117 13.016 1.00 0.00 WT1 O ATOM 4244 H1 TIP3 382 56.508 7.175 12.962 1.00 0.00 WT1 H ATOM 4245 H2 TIP3 382 56.029 8.256 13.907 1.00 0.00 WT1 H ATOM 4246 OH2 TIP3 383 54.370 91.377 -17.483 1.00 0.00 WT1 O ATOM 4247 H1 TIP3 383 54.700 90.532 -17.788 1.00 0.00 WT1 H ATOM 4248 H2 TIP3 383 54.106 91.218 -16.577 1.00 0.00 WT1 H ATOM 4249 OH2 TIP3 384 77.265 42.494 2.708 1.00 0.00 WT1 O ATOM 4250 H1 TIP3 384 76.343 42.713 2.843 1.00 0.00 WT1 H ATOM 4251 H2 TIP3 384 77.732 43.317 2.857 1.00 0.00 WT1 H ATOM 4252 OH2 TIP3 385 30.259 13.227 -10.448 1.00 0.00 WT1 O ATOM 4253 H1 TIP3 385 29.304 13.165 -10.438 1.00 0.00 WT1 H ATOM 4254 H2 TIP3 385 30.536 12.791 -9.642 1.00 0.00 WT1 H ATOM 4255 OH2 TIP3 386 84.013 35.945 -8.499 1.00 0.00 WT1 O ATOM 4256 H1 TIP3 386 83.341 35.329 -8.207 1.00 0.00 WT1 H ATOM 4257 H2 TIP3 386 83.754 36.178 -9.390 1.00 0.00 WT1 H ATOM 4258 OH2 TIP3 387 56.373 35.451 3.518 1.00 0.00 WT1 O ATOM 4259 H1 TIP3 387 56.082 34.799 4.155 1.00 0.00 WT1 H ATOM 4260 H2 TIP3 387 55.663 36.091 3.488 1.00 0.00 WT1 H ATOM 4261 OH2 TIP3 388 26.857 83.111 4.248 1.00 0.00 WT1 O ATOM 4262 H1 TIP3 388 27.344 83.935 4.246 1.00 0.00 WT1 H ATOM 4263 H2 TIP3 388 27.518 82.441 4.079 1.00 0.00 WT1 H ATOM 4264 OH2 TIP3 389 84.774 39.522 51.320 1.00 0.00 WT1 O ATOM 4265 H1 TIP3 389 83.850 39.290 51.416 1.00 0.00 WT1 H ATOM 4266 H2 TIP3 389 84.845 40.394 51.707 1.00 0.00 WT1 H ATOM 4267 OH2 TIP3 390 77.287 71.452 52.807 1.00 0.00 WT1 O ATOM 4268 H1 TIP3 390 77.159 71.627 51.875 1.00 0.00 WT1 H ATOM 4269 H2 TIP3 390 76.461 71.063 53.094 1.00 0.00 WT1 H ATOM 4270 OH2 TIP3 391 22.470 46.495 12.316 1.00 0.00 WT1 O ATOM 4271 H1 TIP3 391 22.001 46.085 13.043 1.00 0.00 WT1 H ATOM 4272 H2 TIP3 391 21.813 46.579 11.624 1.00 0.00 WT1 H ATOM 4273 OH2 TIP3 392 21.991 26.877 50.501 1.00 0.00 WT1 O ATOM 4274 H1 TIP3 392 22.902 26.621 50.643 1.00 0.00 WT1 H ATOM 4275 H2 TIP3 392 21.649 26.220 49.895 1.00 0.00 WT1 H ATOM 4276 OH2 TIP3 393 64.910 34.538 66.873 1.00 0.00 WT1 O ATOM 4277 H1 TIP3 393 64.424 34.562 67.697 1.00 0.00 WT1 H ATOM 4278 H2 TIP3 393 64.837 33.631 66.577 1.00 0.00 WT1 H ATOM 4279 OH2 TIP3 394 70.428 2.452 20.183 1.00 0.00 WT1 O ATOM 4280 H1 TIP3 394 70.930 3.045 20.742 1.00 0.00 WT1 H ATOM 4281 H2 TIP3 394 70.312 2.934 19.365 1.00 0.00 WT1 H ATOM 4282 OH2 TIP3 395 77.584 42.478 -18.246 1.00 0.00 WT1 O ATOM 4283 H1 TIP3 395 78.119 41.760 -18.587 1.00 0.00 WT1 H ATOM 4284 H2 TIP3 395 77.968 43.266 -18.630 1.00 0.00 WT1 H ATOM 4285 OH2 TIP3 396 33.619 13.994 -10.593 1.00 0.00 WT1 O ATOM 4286 H1 TIP3 396 34.094 14.737 -10.222 1.00 0.00 WT1 H ATOM 4287 H2 TIP3 396 33.890 13.246 -10.060 1.00 0.00 WT1 H ATOM 4288 OH2 TIP3 397 65.721 89.190 44.997 1.00 0.00 WT1 O ATOM 4289 H1 TIP3 397 64.931 89.650 45.280 1.00 0.00 WT1 H ATOM 4290 H2 TIP3 397 66.074 89.731 44.291 1.00 0.00 WT1 H ATOM 4291 OH2 TIP3 399 20.375 67.514 -16.218 1.00 0.00 WT1 O ATOM 4292 H1 TIP3 399 20.907 67.351 -15.439 1.00 0.00 WT1 H ATOM 4293 H2 TIP3 399 20.979 67.916 -16.842 1.00 0.00 WT1 H ATOM 4294 OH2 TIP3 400 66.678 61.915 -13.613 1.00 0.00 WT1 O ATOM 4295 H1 TIP3 400 65.832 62.291 -13.855 1.00 0.00 WT1 H ATOM 4296 H2 TIP3 400 66.534 60.969 -13.629 1.00 0.00 WT1 H ATOM 4297 OH2 TIP3 401 65.839 50.021 5.891 1.00 0.00 WT1 O ATOM 4298 H1 TIP3 401 65.618 49.339 6.525 1.00 0.00 WT1 H ATOM 4299 H2 TIP3 401 65.202 50.717 6.054 1.00 0.00 WT1 H ATOM 4300 OH2 TIP3 402 31.801 32.243 23.448 1.00 0.00 WT1 O ATOM 4301 H1 TIP3 402 31.076 31.621 23.507 1.00 0.00 WT1 H ATOM 4302 H2 TIP3 402 32.582 31.717 23.621 1.00 0.00 WT1 H ATOM 4303 OH2 TIP3 403 75.071 70.645 -0.642 1.00 0.00 WT1 O ATOM 4304 H1 TIP3 403 74.705 69.780 -0.824 1.00 0.00 WT1 H ATOM 4305 H2 TIP3 403 75.647 70.509 0.110 1.00 0.00 WT1 H ATOM 4306 OH2 TIP3 404 33.571 21.496 15.681 1.00 0.00 WT1 O ATOM 4307 H1 TIP3 404 33.315 22.411 15.798 1.00 0.00 WT1 H ATOM 4308 H2 TIP3 404 34.516 21.490 15.835 1.00 0.00 WT1 H ATOM 4309 OH2 TIP3 405 62.455 40.536 63.904 1.00 0.00 WT1 O ATOM 4310 H1 TIP3 405 62.641 39.758 64.431 1.00 0.00 WT1 H ATOM 4311 H2 TIP3 405 61.826 41.034 64.426 1.00 0.00 WT1 H ATOM 4312 OH2 TIP3 406 24.146 85.429 37.553 1.00 0.00 WT1 O ATOM 4313 H1 TIP3 406 23.294 85.683 37.198 1.00 0.00 WT1 H ATOM 4314 H2 TIP3 406 24.003 84.556 37.918 1.00 0.00 WT1 H ATOM 4315 OH2 TIP3 407 31.501 45.151 25.855 1.00 0.00 WT1 O ATOM 4316 H1 TIP3 407 31.605 44.272 25.492 1.00 0.00 WT1 H ATOM 4317 H2 TIP3 407 31.189 45.678 25.119 1.00 0.00 WT1 H ATOM 4318 OH2 TIP3 408 31.806 31.109 58.608 1.00 0.00 WT1 O ATOM 4319 H1 TIP3 408 31.826 30.535 57.842 1.00 0.00 WT1 H ATOM 4320 H2 TIP3 408 31.008 31.625 58.500 1.00 0.00 WT1 H ATOM 4321 OH2 TIP3 409 72.196 42.274 -5.629 1.00 0.00 WT1 O ATOM 4322 H1 TIP3 409 72.048 41.992 -4.727 1.00 0.00 WT1 H ATOM 4323 H2 TIP3 409 71.839 43.161 -5.665 1.00 0.00 WT1 H ATOM 4324 OH2 TIP3 411 30.805 21.593 14.806 1.00 0.00 WT1 O ATOM 4325 H1 TIP3 411 30.154 22.142 15.243 1.00 0.00 WT1 H ATOM 4326 H2 TIP3 411 31.511 22.196 14.573 1.00 0.00 WT1 H ATOM 4327 OH2 TIP3 412 38.694 61.041 13.149 1.00 0.00 WT1 O ATOM 4328 H1 TIP3 412 39.362 61.464 13.688 1.00 0.00 WT1 H ATOM 4329 H2 TIP3 412 39.188 60.602 12.456 1.00 0.00 WT1 H ATOM 4330 OH2 TIP3 413 80.191 26.028 65.933 1.00 0.00 WT1 O ATOM 4331 H1 TIP3 413 80.245 26.555 66.730 1.00 0.00 WT1 H ATOM 4332 H2 TIP3 413 80.660 25.221 66.146 1.00 0.00 WT1 H ATOM 4333 OH2 TIP3 414 51.508 63.352 11.747 1.00 0.00 WT1 O ATOM 4334 H1 TIP3 414 51.344 62.622 12.343 1.00 0.00 WT1 H ATOM 4335 H2 TIP3 414 52.416 63.233 11.466 1.00 0.00 WT1 H ATOM 4336 OH2 TIP3 415 63.769 46.392 -8.440 1.00 0.00 WT1 O ATOM 4337 H1 TIP3 415 63.778 45.755 -9.155 1.00 0.00 WT1 H ATOM 4338 H2 TIP3 415 64.444 47.028 -8.677 1.00 0.00 WT1 H ATOM 4339 OH2 TIP3 417 52.713 4.163 6.414 1.00 0.00 WT1 O ATOM 4340 H1 TIP3 417 51.974 4.239 7.018 1.00 0.00 WT1 H ATOM 4341 H2 TIP3 417 52.309 4.089 5.550 1.00 0.00 WT1 H ATOM 4342 OH2 TIP3 418 33.573 85.092 -7.089 1.00 0.00 WT1 O ATOM 4343 H1 TIP3 418 33.388 84.609 -7.895 1.00 0.00 WT1 H ATOM 4344 H2 TIP3 418 33.204 84.548 -6.393 1.00 0.00 WT1 H ATOM 4345 OH2 TIP3 419 62.867 49.859 52.990 1.00 0.00 WT1 O ATOM 4346 H1 TIP3 419 62.982 50.654 52.468 1.00 0.00 WT1 H ATOM 4347 H2 TIP3 419 63.367 49.190 52.522 1.00 0.00 WT1 H ATOM 4348 OH2 TIP3 420 77.026 51.164 46.763 1.00 0.00 WT1 O ATOM 4349 H1 TIP3 420 76.874 52.109 46.755 1.00 0.00 WT1 H ATOM 4350 H2 TIP3 420 77.912 51.061 46.415 1.00 0.00 WT1 H ATOM 4351 OH2 TIP3 421 84.366 10.226 -4.986 1.00 0.00 WT1 O ATOM 4352 H1 TIP3 421 84.248 11.174 -4.924 1.00 0.00 WT1 H ATOM 4353 H2 TIP3 421 85.268 10.115 -5.285 1.00 0.00 WT1 H ATOM 4354 OH2 TIP3 422 41.993 88.125 45.322 1.00 0.00 WT1 O ATOM 4355 H1 TIP3 422 41.079 87.843 45.356 1.00 0.00 WT1 H ATOM 4356 H2 TIP3 422 42.385 87.768 46.119 1.00 0.00 WT1 H ATOM 4357 OH2 TIP3 423 85.201 57.453 4.339 1.00 0.00 WT1 O ATOM 4358 H1 TIP3 423 84.322 57.074 4.330 1.00 0.00 WT1 H ATOM 4359 H2 TIP3 423 85.066 58.364 4.601 1.00 0.00 WT1 H ATOM 4360 OH2 TIP3 424 28.534 86.961 -4.857 1.00 0.00 WT1 O ATOM 4361 H1 TIP3 424 29.182 87.233 -5.507 1.00 0.00 WT1 H ATOM 4362 H2 TIP3 424 29.053 86.681 -4.103 1.00 0.00 WT1 H ATOM 4363 OH2 TIP3 425 78.118 74.932 27.605 1.00 0.00 WT1 O ATOM 4364 H1 TIP3 425 77.272 74.627 27.276 1.00 0.00 WT1 H ATOM 4365 H2 TIP3 425 78.585 74.132 27.846 1.00 0.00 WT1 H ATOM 4366 OH2 TIP3 426 22.644 66.484 11.862 1.00 0.00 WT1 O ATOM 4367 H1 TIP3 426 22.259 66.407 10.989 1.00 0.00 WT1 H ATOM 4368 H2 TIP3 426 23.587 66.538 11.705 1.00 0.00 WT1 H ATOM 4369 OH2 TIP3 427 48.004 88.984 9.596 1.00 0.00 WT1 O ATOM 4370 H1 TIP3 427 48.583 88.348 10.015 1.00 0.00 WT1 H ATOM 4371 H2 TIP3 427 47.154 88.848 10.015 1.00 0.00 WT1 H ATOM 4372 OH2 TIP3 428 39.816 37.889 -18.293 1.00 0.00 WT1 O ATOM 4373 H1 TIP3 428 39.308 37.504 -17.580 1.00 0.00 WT1 H ATOM 4374 H2 TIP3 428 39.667 38.831 -18.212 1.00 0.00 WT1 H ATOM 4375 OH2 TIP3 429 63.587 32.408 21.777 1.00 0.00 WT1 O ATOM 4376 H1 TIP3 429 62.726 32.173 21.432 1.00 0.00 WT1 H ATOM 4377 H2 TIP3 429 64.048 31.573 21.863 1.00 0.00 WT1 H ATOM 4378 OH2 TIP3 430 72.745 72.813 29.919 1.00 0.00 WT1 O ATOM 4379 H1 TIP3 430 71.918 72.580 30.343 1.00 0.00 WT1 H ATOM 4380 H2 TIP3 430 72.851 73.747 30.098 1.00 0.00 WT1 H ATOM 4381 OH2 TIP3 431 59.351 7.476 -5.516 1.00 0.00 WT1 O ATOM 4382 H1 TIP3 431 58.740 7.076 -4.898 1.00 0.00 WT1 H ATOM 4383 H2 TIP3 431 59.505 6.798 -6.174 1.00 0.00 WT1 H ATOM 4384 OH2 TIP3 432 35.032 92.974 55.935 1.00 0.00 WT1 O ATOM 4385 H1 TIP3 432 34.401 92.265 55.811 1.00 0.00 WT1 H ATOM 4386 H2 TIP3 432 35.518 92.728 56.722 1.00 0.00 WT1 H ATOM 4387 OH2 TIP3 433 73.233 51.512 22.499 1.00 0.00 WT1 O ATOM 4388 H1 TIP3 433 72.568 50.892 22.797 1.00 0.00 WT1 H ATOM 4389 H2 TIP3 433 73.979 50.964 22.253 1.00 0.00 WT1 H ATOM 4390 OH2 TIP3 434 72.675 65.315 57.785 1.00 0.00 WT1 O ATOM 4391 H1 TIP3 434 71.873 65.496 57.294 1.00 0.00 WT1 H ATOM 4392 H2 TIP3 434 73.382 65.529 57.177 1.00 0.00 WT1 H ATOM 4393 OH2 TIP3 435 67.133 47.834 58.521 1.00 0.00 WT1 O ATOM 4394 H1 TIP3 435 66.279 48.236 58.363 1.00 0.00 WT1 H ATOM 4395 H2 TIP3 435 67.694 48.181 57.829 1.00 0.00 WT1 H ATOM 4396 OH2 TIP3 436 62.037 48.074 -0.582 1.00 0.00 WT1 O ATOM 4397 H1 TIP3 436 61.820 48.885 -0.123 1.00 0.00 WT1 H ATOM 4398 H2 TIP3 436 61.780 47.379 0.025 1.00 0.00 WT1 H ATOM 4399 OH2 TIP3 437 77.242 0.724 -14.953 1.00 0.00 WT1 O ATOM 4400 H1 TIP3 437 76.434 0.910 -14.474 1.00 0.00 WT1 H ATOM 4401 H2 TIP3 437 77.138 1.185 -15.786 1.00 0.00 WT1 H ATOM 4402 OH2 TIP3 438 66.095 83.519 -17.788 1.00 0.00 WT1 O ATOM 4403 H1 TIP3 438 66.933 83.064 -17.878 1.00 0.00 WT1 H ATOM 4404 H2 TIP3 438 65.803 83.664 -18.688 1.00 0.00 WT1 H ATOM 4405 OH2 TIP3 439 26.851 79.757 -14.635 1.00 0.00 WT1 O ATOM 4406 H1 TIP3 439 26.516 79.540 -15.505 1.00 0.00 WT1 H ATOM 4407 H2 TIP3 439 27.771 79.980 -14.781 1.00 0.00 WT1 H ATOM 4408 OH2 TIP3 440 65.314 86.716 26.969 1.00 0.00 WT1 O ATOM 4409 H1 TIP3 440 64.466 86.594 27.397 1.00 0.00 WT1 H ATOM 4410 H2 TIP3 440 65.117 86.685 26.033 1.00 0.00 WT1 H ATOM 4411 OH2 TIP3 441 48.158 81.163 17.749 1.00 0.00 WT1 O ATOM 4412 H1 TIP3 441 47.461 80.770 17.223 1.00 0.00 WT1 H ATOM 4413 H2 TIP3 441 47.709 81.515 18.518 1.00 0.00 WT1 H ATOM 4414 OH2 TIP3 442 53.343 25.356 15.858 1.00 0.00 WT1 O ATOM 4415 H1 TIP3 442 52.792 25.782 15.202 1.00 0.00 WT1 H ATOM 4416 H2 TIP3 442 52.829 25.395 16.665 1.00 0.00 WT1 H ATOM 4417 OH2 TIP3 443 80.605 71.786 20.446 1.00 0.00 WT1 O ATOM 4418 H1 TIP3 443 79.918 72.170 20.991 1.00 0.00 WT1 H ATOM 4419 H2 TIP3 443 81.360 71.708 21.030 1.00 0.00 WT1 H ATOM 4420 OH2 TIP3 444 74.077 39.460 26.677 1.00 0.00 WT1 O ATOM 4421 H1 TIP3 444 73.572 39.364 25.869 1.00 0.00 WT1 H ATOM 4422 H2 TIP3 444 73.734 38.780 27.256 1.00 0.00 WT1 H ATOM 4423 OH2 TIP3 446 88.012 64.233 44.958 1.00 0.00 WT1 O ATOM 4424 H1 TIP3 446 87.232 64.274 45.512 1.00 0.00 WT1 H ATOM 4425 H2 TIP3 446 87.764 63.657 44.236 1.00 0.00 WT1 H ATOM 4426 OH2 TIP3 447 76.442 63.597 -4.541 1.00 0.00 WT1 O ATOM 4427 H1 TIP3 447 75.800 63.476 -3.842 1.00 0.00 WT1 H ATOM 4428 H2 TIP3 447 76.071 63.132 -5.291 1.00 0.00 WT1 H ATOM 4429 OH2 TIP3 448 69.756 24.040 24.959 1.00 0.00 WT1 O ATOM 4430 H1 TIP3 448 70.368 23.726 24.294 1.00 0.00 WT1 H ATOM 4431 H2 TIP3 448 69.828 24.994 24.920 1.00 0.00 WT1 H ATOM 4432 OH2 TIP3 450 59.931 90.838 35.964 1.00 0.00 WT1 O ATOM 4433 H1 TIP3 450 59.926 89.916 35.708 1.00 0.00 WT1 H ATOM 4434 H2 TIP3 450 60.234 91.302 35.184 1.00 0.00 WT1 H ATOM 4435 OH2 TIP3 451 69.043 36.779 -10.855 1.00 0.00 WT1 O ATOM 4436 H1 TIP3 451 69.211 37.215 -11.691 1.00 0.00 WT1 H ATOM 4437 H2 TIP3 451 68.127 36.978 -10.660 1.00 0.00 WT1 H ATOM 4438 OH2 TIP3 452 22.895 57.321 40.031 1.00 0.00 WT1 O ATOM 4439 H1 TIP3 452 23.531 57.828 40.534 1.00 0.00 WT1 H ATOM 4440 H2 TIP3 452 22.887 57.734 39.167 1.00 0.00 WT1 H ATOM 4441 OH2 TIP3 453 88.517 22.514 -9.169 1.00 0.00 WT1 O ATOM 4442 H1 TIP3 453 89.390 22.123 -9.202 1.00 0.00 WT1 H ATOM 4443 H2 TIP3 453 88.676 23.444 -9.009 1.00 0.00 WT1 H ATOM 4444 OH2 TIP3 454 45.589 95.601 14.393 1.00 0.00 WT1 O ATOM 4445 H1 TIP3 454 44.676 95.364 14.558 1.00 0.00 WT1 H ATOM 4446 H2 TIP3 454 46.076 94.789 14.529 1.00 0.00 WT1 H ATOM 4447 OH2 TIP3 455 37.324 1.416 61.944 1.00 0.00 WT1 O ATOM 4448 H1 TIP3 455 37.417 2.272 61.526 1.00 0.00 WT1 H ATOM 4449 H2 TIP3 455 37.214 1.614 62.874 1.00 0.00 WT1 H ATOM 4450 OH2 TIP3 456 34.334 74.680 30.892 1.00 0.00 WT1 O ATOM 4451 H1 TIP3 456 35.221 74.522 30.568 1.00 0.00 WT1 H ATOM 4452 H2 TIP3 456 34.226 74.053 31.608 1.00 0.00 WT1 H ATOM 4453 OH2 TIP3 457 32.386 19.293 17.161 1.00 0.00 WT1 O ATOM 4454 H1 TIP3 457 31.685 19.754 17.621 1.00 0.00 WT1 H ATOM 4455 H2 TIP3 457 32.731 19.936 16.542 1.00 0.00 WT1 H ATOM 4456 OH2 TIP3 458 70.657 46.276 30.255 1.00 0.00 WT1 O ATOM 4457 H1 TIP3 458 70.740 45.625 29.559 1.00 0.00 WT1 H ATOM 4458 H2 TIP3 458 69.778 46.139 30.608 1.00 0.00 WT1 H ATOM 4459 OH2 TIP3 459 74.329 32.707 43.405 1.00 0.00 WT1 O ATOM 4460 H1 TIP3 459 73.935 32.068 42.812 1.00 0.00 WT1 H ATOM 4461 H2 TIP3 459 75.042 32.231 43.832 1.00 0.00 WT1 H ATOM 4462 OH2 TIP3 460 67.059 31.905 -4.346 1.00 0.00 WT1 O ATOM 4463 H1 TIP3 460 67.535 31.074 -4.329 1.00 0.00 WT1 H ATOM 4464 H2 TIP3 460 66.910 32.115 -3.424 1.00 0.00 WT1 H ATOM 4465 OH2 TIP3 461 72.319 83.485 9.974 1.00 0.00 WT1 O ATOM 4466 H1 TIP3 461 72.314 82.715 9.406 1.00 0.00 WT1 H ATOM 4467 H2 TIP3 461 73.143 83.927 9.771 1.00 0.00 WT1 H ATOM 4468 OH2 TIP3 462 84.677 15.190 -13.122 1.00 0.00 WT1 O ATOM 4469 H1 TIP3 462 84.004 15.786 -12.793 1.00 0.00 WT1 H ATOM 4470 H2 TIP3 462 85.505 15.605 -12.880 1.00 0.00 WT1 H ATOM 4471 OH2 TIP3 463 78.723 27.529 -16.802 1.00 0.00 WT1 O ATOM 4472 H1 TIP3 463 78.207 28.334 -16.757 1.00 0.00 WT1 H ATOM 4473 H2 TIP3 463 78.736 27.304 -17.732 1.00 0.00 WT1 H ATOM 4474 OH2 TIP3 465 26.415 6.609 41.773 1.00 0.00 WT1 O ATOM 4475 H1 TIP3 465 27.032 6.713 42.497 1.00 0.00 WT1 H ATOM 4476 H2 TIP3 465 26.328 5.662 41.664 1.00 0.00 WT1 H ATOM 4477 OH2 TIP3 466 82.141 21.364 10.828 1.00 0.00 WT1 O ATOM 4478 H1 TIP3 466 81.795 21.149 11.694 1.00 0.00 WT1 H ATOM 4479 H2 TIP3 466 82.508 22.242 10.927 1.00 0.00 WT1 H ATOM 4480 OH2 TIP3 467 64.601 29.054 36.657 1.00 0.00 WT1 O ATOM 4481 H1 TIP3 467 63.901 29.377 36.090 1.00 0.00 WT1 H ATOM 4482 H2 TIP3 467 64.650 28.117 36.467 1.00 0.00 WT1 H ATOM 4483 OH2 TIP3 468 35.140 16.223 -1.220 1.00 0.00 WT1 O ATOM 4484 H1 TIP3 468 35.469 16.384 -2.104 1.00 0.00 WT1 H ATOM 4485 H2 TIP3 468 34.651 17.015 -0.998 1.00 0.00 WT1 H ATOM 4486 OH2 TIP3 469 49.704 83.178 21.455 1.00 0.00 WT1 O ATOM 4487 H1 TIP3 469 49.874 83.461 20.556 1.00 0.00 WT1 H ATOM 4488 H2 TIP3 469 50.262 82.410 21.574 1.00 0.00 WT1 H ATOM 4489 OH2 TIP3 470 58.825 71.039 -16.922 1.00 0.00 WT1 O ATOM 4490 H1 TIP3 470 59.248 70.180 -16.945 1.00 0.00 WT1 H ATOM 4491 H2 TIP3 470 57.962 70.871 -16.544 1.00 0.00 WT1 H ATOM 4492 OH2 TIP3 471 34.554 75.506 -10.941 1.00 0.00 WT1 O ATOM 4493 H1 TIP3 471 35.155 75.785 -11.632 1.00 0.00 WT1 H ATOM 4494 H2 TIP3 471 34.921 74.681 -10.623 1.00 0.00 WT1 H ATOM 4495 OH2 TIP3 472 61.599 37.304 -3.442 1.00 0.00 WT1 O ATOM 4496 H1 TIP3 472 62.148 37.763 -2.806 1.00 0.00 WT1 H ATOM 4497 H2 TIP3 472 60.824 37.043 -2.945 1.00 0.00 WT1 H ATOM 4498 OH2 TIP3 473 34.385 50.878 -4.801 1.00 0.00 WT1 O ATOM 4499 H1 TIP3 473 34.213 51.528 -4.120 1.00 0.00 WT1 H ATOM 4500 H2 TIP3 473 35.244 51.119 -5.151 1.00 0.00 WT1 H ATOM 4501 OH2 TIP3 474 51.688 41.057 3.988 1.00 0.00 WT1 O ATOM 4502 H1 TIP3 474 51.048 41.435 4.591 1.00 0.00 WT1 H ATOM 4503 H2 TIP3 474 52.416 41.678 3.990 1.00 0.00 WT1 H ATOM 4504 OH2 TIP3 475 24.885 8.367 -2.510 1.00 0.00 WT1 O ATOM 4505 H1 TIP3 475 25.329 9.215 -2.517 1.00 0.00 WT1 H ATOM 4506 H2 TIP3 475 24.934 8.077 -1.599 1.00 0.00 WT1 H ATOM 4507 OH2 TIP3 476 77.828 36.092 -15.128 1.00 0.00 WT1 O ATOM 4508 H1 TIP3 476 77.868 35.139 -15.201 1.00 0.00 WT1 H ATOM 4509 H2 TIP3 476 78.333 36.294 -14.340 1.00 0.00 WT1 H ATOM 4510 OH2 TIP3 477 29.266 10.863 -8.246 1.00 0.00 WT1 O ATOM 4511 H1 TIP3 477 29.250 10.077 -8.792 1.00 0.00 WT1 H ATOM 4512 H2 TIP3 477 28.379 11.218 -8.310 1.00 0.00 WT1 H ATOM 4513 OH2 TIP3 478 49.903 83.035 48.054 1.00 0.00 WT1 O ATOM 4514 H1 TIP3 478 49.827 83.520 47.232 1.00 0.00 WT1 H ATOM 4515 H2 TIP3 478 49.848 82.115 47.796 1.00 0.00 WT1 H ATOM 4516 OH2 TIP3 479 52.075 10.160 20.435 1.00 0.00 WT1 O ATOM 4517 H1 TIP3 479 51.438 10.562 19.844 1.00 0.00 WT1 H ATOM 4518 H2 TIP3 479 52.522 9.506 19.896 1.00 0.00 WT1 H ATOM 4519 OH2 TIP3 480 68.858 65.251 33.638 1.00 0.00 WT1 O ATOM 4520 H1 TIP3 480 68.146 64.810 33.174 1.00 0.00 WT1 H ATOM 4521 H2 TIP3 480 69.635 64.728 33.439 1.00 0.00 WT1 H ATOM 4522 OH2 TIP3 481 54.507 54.865 66.479 1.00 0.00 WT1 O ATOM 4523 H1 TIP3 481 54.756 54.422 67.290 1.00 0.00 WT1 H ATOM 4524 H2 TIP3 481 53.732 54.393 66.176 1.00 0.00 WT1 H ATOM 4525 OH2 TIP3 482 33.317 91.416 57.776 1.00 0.00 WT1 O ATOM 4526 H1 TIP3 482 32.910 90.656 58.192 1.00 0.00 WT1 H ATOM 4527 H2 TIP3 482 33.392 92.062 58.478 1.00 0.00 WT1 H ATOM 4528 OH2 TIP3 483 50.208 16.662 61.512 1.00 0.00 WT1 O ATOM 4529 H1 TIP3 483 49.527 16.101 61.139 1.00 0.00 WT1 H ATOM 4530 H2 TIP3 483 51.027 16.205 61.319 1.00 0.00 WT1 H ATOM 4531 OH2 TIP3 484 73.577 94.058 16.258 1.00 0.00 WT1 O ATOM 4532 H1 TIP3 484 73.479 93.832 17.183 1.00 0.00 WT1 H ATOM 4533 H2 TIP3 484 74.521 94.030 16.103 1.00 0.00 WT1 H ATOM 4534 OH2 TIP3 485 84.327 86.299 16.291 1.00 0.00 WT1 O ATOM 4535 H1 TIP3 485 85.193 86.685 16.422 1.00 0.00 WT1 H ATOM 4536 H2 TIP3 485 84.349 85.484 16.793 1.00 0.00 WT1 H ATOM 4537 OH2 TIP3 486 46.650 78.967 5.440 1.00 0.00 WT1 O ATOM 4538 H1 TIP3 486 46.545 78.455 4.638 1.00 0.00 WT1 H ATOM 4539 H2 TIP3 486 46.531 78.332 6.147 1.00 0.00 WT1 H ATOM 4540 OH2 TIP3 487 71.607 36.727 -18.538 1.00 0.00 WT1 O ATOM 4541 H1 TIP3 487 72.070 36.118 -17.963 1.00 0.00 WT1 H ATOM 4542 H2 TIP3 487 71.338 36.194 -19.286 1.00 0.00 WT1 H ATOM 4543 OH2 TIP3 488 75.551 59.436 56.708 1.00 0.00 WT1 O ATOM 4544 H1 TIP3 488 75.007 59.702 55.967 1.00 0.00 WT1 H ATOM 4545 H2 TIP3 488 75.265 58.545 56.908 1.00 0.00 WT1 H ATOM 4546 OH2 TIP3 489 31.057 76.332 -17.035 1.00 0.00 WT1 O ATOM 4547 H1 TIP3 489 30.413 76.577 -16.371 1.00 0.00 WT1 H ATOM 4548 H2 TIP3 489 30.605 76.464 -17.868 1.00 0.00 WT1 H ATOM 4549 OH2 TIP3 490 27.376 16.000 -3.844 1.00 0.00 WT1 O ATOM 4550 H1 TIP3 490 27.391 16.823 -3.355 1.00 0.00 WT1 H ATOM 4551 H2 TIP3 490 27.831 15.376 -3.278 1.00 0.00 WT1 H ATOM 4552 OH2 TIP3 491 47.985 16.416 59.245 1.00 0.00 WT1 O ATOM 4553 H1 TIP3 491 47.616 15.557 59.453 1.00 0.00 WT1 H ATOM 4554 H2 TIP3 491 48.549 16.257 58.489 1.00 0.00 WT1 H ATOM 4555 OH2 TIP3 492 73.139 83.807 34.340 1.00 0.00 WT1 O ATOM 4556 H1 TIP3 492 73.467 82.920 34.487 1.00 0.00 WT1 H ATOM 4557 H2 TIP3 492 73.551 84.333 35.026 1.00 0.00 WT1 H ATOM 4558 OH2 TIP3 493 22.311 45.429 -6.512 1.00 0.00 WT1 O ATOM 4559 H1 TIP3 493 22.124 45.503 -5.576 1.00 0.00 WT1 H ATOM 4560 H2 TIP3 493 22.712 46.267 -6.743 1.00 0.00 WT1 H ATOM 4561 OH2 TIP3 494 28.479 10.837 1.920 1.00 0.00 WT1 O ATOM 4562 H1 TIP3 494 29.178 10.441 1.399 1.00 0.00 WT1 H ATOM 4563 H2 TIP3 494 27.813 11.085 1.279 1.00 0.00 WT1 H ATOM 4564 OH2 TIP3 495 57.064 29.816 -2.414 1.00 0.00 WT1 O ATOM 4565 H1 TIP3 495 57.041 29.856 -1.457 1.00 0.00 WT1 H ATOM 4566 H2 TIP3 495 57.679 30.504 -2.668 1.00 0.00 WT1 H ATOM 4567 OH2 TIP3 496 39.006 81.494 11.137 1.00 0.00 WT1 O ATOM 4568 H1 TIP3 496 39.562 81.749 11.873 1.00 0.00 WT1 H ATOM 4569 H2 TIP3 496 39.463 80.754 10.737 1.00 0.00 WT1 H ATOM 4570 OH2 TIP3 497 22.089 79.767 14.097 1.00 0.00 WT1 O ATOM 4571 H1 TIP3 497 22.174 79.082 14.761 1.00 0.00 WT1 H ATOM 4572 H2 TIP3 497 21.149 79.816 13.923 1.00 0.00 WT1 H ATOM 4573 OH2 TIP3 498 70.070 23.966 13.831 1.00 0.00 WT1 O ATOM 4574 H1 TIP3 498 70.008 24.744 14.386 1.00 0.00 WT1 H ATOM 4575 H2 TIP3 498 70.137 23.237 14.447 1.00 0.00 WT1 H ATOM 4576 OH2 TIP3 499 29.357 17.133 12.601 1.00 0.00 WT1 O ATOM 4577 H1 TIP3 499 28.404 17.064 12.556 1.00 0.00 WT1 H ATOM 4578 H2 TIP3 499 29.532 17.454 13.486 1.00 0.00 WT1 H ATOM 4579 OH2 TIP3 500 82.243 68.540 22.205 1.00 0.00 WT1 O ATOM 4580 H1 TIP3 500 82.600 67.652 22.182 1.00 0.00 WT1 H ATOM 4581 H2 TIP3 500 81.301 68.424 22.080 1.00 0.00 WT1 H ATOM 4582 OH2 TIP3 501 46.884 47.673 -0.540 1.00 0.00 WT1 O ATOM 4583 H1 TIP3 501 46.451 48.526 -0.531 1.00 0.00 WT1 H ATOM 4584 H2 TIP3 501 47.681 47.802 -0.027 1.00 0.00 WT1 H ATOM 4585 OH2 TIP3 502 33.692 78.701 46.308 1.00 0.00 WT1 O ATOM 4586 H1 TIP3 502 33.695 77.920 46.862 1.00 0.00 WT1 H ATOM 4587 H2 TIP3 502 33.644 78.361 45.415 1.00 0.00 WT1 H ATOM 4588 OH2 TIP3 503 34.224 12.595 50.173 1.00 0.00 WT1 O ATOM 4589 H1 TIP3 503 35.076 12.927 49.890 1.00 0.00 WT1 H ATOM 4590 H2 TIP3 503 34.415 12.084 50.960 1.00 0.00 WT1 H ATOM 4591 OH2 TIP3 504 63.421 85.741 11.347 1.00 0.00 WT1 O ATOM 4592 H1 TIP3 504 63.818 84.922 11.050 1.00 0.00 WT1 H ATOM 4593 H2 TIP3 504 63.595 85.765 12.287 1.00 0.00 WT1 H ATOM 4594 OH2 TIP3 505 83.489 80.262 5.421 1.00 0.00 WT1 O ATOM 4595 H1 TIP3 505 84.066 80.306 6.184 1.00 0.00 WT1 H ATOM 4596 H2 TIP3 505 83.799 79.502 4.929 1.00 0.00 WT1 H ATOM 4597 OH2 TIP3 506 88.801 94.884 20.909 1.00 0.00 WT1 O ATOM 4598 H1 TIP3 506 88.606 94.292 20.182 1.00 0.00 WT1 H ATOM 4599 H2 TIP3 506 87.986 95.364 21.053 1.00 0.00 WT1 H ATOM 4600 OH2 TIP3 507 57.306 30.034 47.106 1.00 0.00 WT1 O ATOM 4601 H1 TIP3 507 56.471 30.403 47.396 1.00 0.00 WT1 H ATOM 4602 H2 TIP3 507 57.714 30.734 46.597 1.00 0.00 WT1 H ATOM 4603 OH2 TIP3 508 81.500 9.025 38.766 1.00 0.00 WT1 O ATOM 4604 H1 TIP3 508 80.810 9.265 38.146 1.00 0.00 WT1 H ATOM 4605 H2 TIP3 508 81.031 8.662 39.517 1.00 0.00 WT1 H ATOM 4606 OH2 TIP3 509 44.021 66.170 2.538 1.00 0.00 WT1 O ATOM 4607 H1 TIP3 509 44.368 66.853 3.112 1.00 0.00 WT1 H ATOM 4608 H2 TIP3 509 44.515 65.384 2.774 1.00 0.00 WT1 H ATOM 4609 OH2 TIP3 510 43.800 87.235 17.243 1.00 0.00 WT1 O ATOM 4610 H1 TIP3 510 43.476 86.447 16.808 1.00 0.00 WT1 H ATOM 4611 H2 TIP3 510 44.752 87.140 17.233 1.00 0.00 WT1 H ATOM 4612 OH2 TIP3 511 36.207 9.206 38.636 1.00 0.00 WT1 O ATOM 4613 H1 TIP3 511 36.379 9.289 37.698 1.00 0.00 WT1 H ATOM 4614 H2 TIP3 511 36.359 10.084 38.987 1.00 0.00 WT1 H ATOM 4615 OH2 TIP3 512 33.844 15.395 50.989 1.00 0.00 WT1 O ATOM 4616 H1 TIP3 512 34.121 14.479 50.998 1.00 0.00 WT1 H ATOM 4617 H2 TIP3 512 32.905 15.360 50.808 1.00 0.00 WT1 H ATOM 4618 OH2 TIP3 513 29.078 63.664 31.454 1.00 0.00 WT1 O ATOM 4619 H1 TIP3 513 29.683 64.374 31.669 1.00 0.00 WT1 H ATOM 4620 H2 TIP3 513 28.458 64.055 30.839 1.00 0.00 WT1 H ATOM 4621 OH2 TIP3 514 23.679 27.642 34.984 1.00 0.00 WT1 O ATOM 4622 H1 TIP3 514 23.161 26.984 35.448 1.00 0.00 WT1 H ATOM 4623 H2 TIP3 514 23.223 27.762 34.151 1.00 0.00 WT1 H ATOM 4624 OH2 TIP3 515 77.348 48.274 16.426 1.00 0.00 WT1 O ATOM 4625 H1 TIP3 515 76.815 48.997 16.757 1.00 0.00 WT1 H ATOM 4626 H2 TIP3 515 76.768 47.802 15.829 1.00 0.00 WT1 H ATOM 4627 OH2 TIP3 516 72.909 88.700 20.945 1.00 0.00 WT1 O ATOM 4628 H1 TIP3 516 72.021 88.750 20.592 1.00 0.00 WT1 H ATOM 4629 H2 TIP3 516 73.052 87.767 21.104 1.00 0.00 WT1 H ATOM 4630 OH2 TIP3 517 53.228 24.949 60.546 1.00 0.00 WT1 O ATOM 4631 H1 TIP3 517 53.487 24.233 59.966 1.00 0.00 WT1 H ATOM 4632 H2 TIP3 517 53.888 25.626 60.401 1.00 0.00 WT1 H ATOM 4633 OH2 TIP3 518 40.422 86.240 -10.542 1.00 0.00 WT1 O ATOM 4634 H1 TIP3 518 39.540 85.957 -10.303 1.00 0.00 WT1 H ATOM 4635 H2 TIP3 518 40.810 86.536 -9.718 1.00 0.00 WT1 H ATOM 4636 OH2 TIP3 519 50.438 27.926 18.337 1.00 0.00 WT1 O ATOM 4637 H1 TIP3 519 50.488 28.164 19.263 1.00 0.00 WT1 H ATOM 4638 H2 TIP3 519 49.865 28.587 17.950 1.00 0.00 WT1 H ATOM 4639 OH2 TIP3 521 88.056 56.502 29.170 1.00 0.00 WT1 O ATOM 4640 H1 TIP3 521 87.583 56.990 29.844 1.00 0.00 WT1 H ATOM 4641 H2 TIP3 521 88.979 56.683 29.345 1.00 0.00 WT1 H ATOM 4642 OH2 TIP3 522 52.251 0.325 22.597 1.00 0.00 WT1 O ATOM 4643 H1 TIP3 522 52.237 1.222 22.262 1.00 0.00 WT1 H ATOM 4644 H2 TIP3 522 51.880 -0.201 21.888 1.00 0.00 WT1 H ATOM 4645 OH2 TIP3 523 78.225 33.847 40.153 1.00 0.00 WT1 O ATOM 4646 H1 TIP3 523 77.532 34.363 40.564 1.00 0.00 WT1 H ATOM 4647 H2 TIP3 523 78.851 34.498 39.833 1.00 0.00 WT1 H ATOM 4648 OH2 TIP3 524 25.835 91.099 49.936 1.00 0.00 WT1 O ATOM 4649 H1 TIP3 524 26.032 90.612 50.736 1.00 0.00 WT1 H ATOM 4650 H2 TIP3 524 25.149 91.715 50.194 1.00 0.00 WT1 H ATOM 4651 OH2 TIP3 525 53.635 74.762 60.878 1.00 0.00 WT1 O ATOM 4652 H1 TIP3 525 53.236 75.394 61.476 1.00 0.00 WT1 H ATOM 4653 H2 TIP3 525 53.817 73.998 61.424 1.00 0.00 WT1 H ATOM 4654 OH2 TIP3 526 74.208 42.497 12.364 1.00 0.00 WT1 O ATOM 4655 H1 TIP3 526 73.585 41.842 12.677 1.00 0.00 WT1 H ATOM 4656 H2 TIP3 526 74.728 42.723 13.136 1.00 0.00 WT1 H ATOM 4657 OH2 TIP3 527 54.148 5.396 19.211 1.00 0.00 WT1 O ATOM 4658 H1 TIP3 527 53.602 5.949 19.770 1.00 0.00 WT1 H ATOM 4659 H2 TIP3 527 53.652 4.582 19.123 1.00 0.00 WT1 H ATOM 4660 OH2 TIP3 528 78.840 78.012 38.460 1.00 0.00 WT1 O ATOM 4661 H1 TIP3 528 79.143 77.667 39.300 1.00 0.00 WT1 H ATOM 4662 H2 TIP3 528 78.538 78.897 38.659 1.00 0.00 WT1 H ATOM 4663 OH2 TIP3 529 34.485 35.440 -9.491 1.00 0.00 WT1 O ATOM 4664 H1 TIP3 529 34.716 34.829 -8.791 1.00 0.00 WT1 H ATOM 4665 H2 TIP3 529 35.187 36.090 -9.483 1.00 0.00 WT1 H ATOM 4666 OH2 TIP3 530 89.053 39.242 -12.696 1.00 0.00 WT1 O ATOM 4667 H1 TIP3 530 89.610 40.016 -12.768 1.00 0.00 WT1 H ATOM 4668 H2 TIP3 530 88.748 39.082 -13.589 1.00 0.00 WT1 H ATOM 4669 OH2 TIP3 531 26.864 62.523 64.055 1.00 0.00 WT1 O ATOM 4670 H1 TIP3 531 26.075 61.991 63.952 1.00 0.00 WT1 H ATOM 4671 H2 TIP3 531 26.614 63.205 64.678 1.00 0.00 WT1 H ATOM 4672 OH2 TIP3 532 84.488 60.784 30.501 1.00 0.00 WT1 O ATOM 4673 H1 TIP3 532 83.804 61.355 30.850 1.00 0.00 WT1 H ATOM 4674 H2 TIP3 532 84.292 60.717 29.567 1.00 0.00 WT1 H ATOM 4675 OH2 TIP3 533 25.169 39.007 -10.194 1.00 0.00 WT1 O ATOM 4676 H1 TIP3 533 24.853 39.905 -10.290 1.00 0.00 WT1 H ATOM 4677 H2 TIP3 533 25.846 39.061 -9.520 1.00 0.00 WT1 H ATOM 4678 OH2 TIP3 534 42.571 16.131 16.486 1.00 0.00 WT1 O ATOM 4679 H1 TIP3 534 43.455 15.785 16.364 1.00 0.00 WT1 H ATOM 4680 H2 TIP3 534 42.611 17.021 16.136 1.00 0.00 WT1 H ATOM 4681 OH2 TIP3 535 39.239 8.595 15.549 1.00 0.00 WT1 O ATOM 4682 H1 TIP3 535 39.050 9.379 16.064 1.00 0.00 WT1 H ATOM 4683 H2 TIP3 535 39.616 7.979 16.178 1.00 0.00 WT1 H ATOM 4684 OH2 TIP3 536 52.779 20.538 57.508 1.00 0.00 WT1 O ATOM 4685 H1 TIP3 536 52.469 21.195 58.132 1.00 0.00 WT1 H ATOM 4686 H2 TIP3 536 53.369 21.019 56.928 1.00 0.00 WT1 H ATOM 4687 OH2 TIP3 537 47.334 43.304 -6.497 1.00 0.00 WT1 O ATOM 4688 H1 TIP3 537 47.283 43.952 -7.200 1.00 0.00 WT1 H ATOM 4689 H2 TIP3 537 48.251 43.321 -6.221 1.00 0.00 WT1 H ATOM 4690 OH2 TIP3 538 70.178 0.816 62.139 1.00 0.00 WT1 O ATOM 4691 H1 TIP3 538 70.796 0.391 62.734 1.00 0.00 WT1 H ATOM 4692 H2 TIP3 538 69.571 0.121 61.887 1.00 0.00 WT1 H ATOM 4693 OH2 TIP3 539 83.400 44.112 35.515 1.00 0.00 WT1 O ATOM 4694 H1 TIP3 539 84.000 43.552 35.023 1.00 0.00 WT1 H ATOM 4695 H2 TIP3 539 82.581 44.078 35.020 1.00 0.00 WT1 H ATOM 4696 OH2 TIP3 540 73.823 28.707 14.751 1.00 0.00 WT1 O ATOM 4697 H1 TIP3 540 72.918 28.931 14.968 1.00 0.00 WT1 H ATOM 4698 H2 TIP3 540 74.224 29.542 14.507 1.00 0.00 WT1 H ATOM 4699 OH2 TIP3 541 46.141 20.812 -12.829 1.00 0.00 WT1 O ATOM 4700 H1 TIP3 541 46.139 20.075 -12.219 1.00 0.00 WT1 H ATOM 4701 H2 TIP3 541 45.220 21.055 -12.916 1.00 0.00 WT1 H ATOM 4702 OH2 TIP3 542 66.244 70.622 16.221 1.00 0.00 WT1 O ATOM 4703 H1 TIP3 542 65.488 70.761 15.652 1.00 0.00 WT1 H ATOM 4704 H2 TIP3 542 66.545 69.738 16.010 1.00 0.00 WT1 H ATOM 4705 OH2 TIP3 543 32.208 72.601 61.944 1.00 0.00 WT1 O ATOM 4706 H1 TIP3 543 31.438 73.030 62.317 1.00 0.00 WT1 H ATOM 4707 H2 TIP3 543 31.874 71.780 61.583 1.00 0.00 WT1 H ATOM 4708 OH2 TIP3 544 56.828 30.902 10.478 1.00 0.00 WT1 O ATOM 4709 H1 TIP3 544 56.036 31.268 10.872 1.00 0.00 WT1 H ATOM 4710 H2 TIP3 544 57.532 31.479 10.774 1.00 0.00 WT1 H ATOM 4711 OH2 TIP3 546 57.319 91.224 63.819 1.00 0.00 WT1 O ATOM 4712 H1 TIP3 546 57.102 90.396 64.247 1.00 0.00 WT1 H ATOM 4713 H2 TIP3 546 58.189 91.081 63.447 1.00 0.00 WT1 H ATOM 4714 OH2 TIP3 547 90.316 13.518 37.115 1.00 0.00 WT1 O ATOM 4715 H1 TIP3 547 89.614 13.520 37.766 1.00 0.00 WT1 H ATOM 4716 H2 TIP3 547 91.112 13.354 37.620 1.00 0.00 WT1 H ATOM 4717 OH2 TIP3 549 38.977 95.202 -16.466 1.00 0.00 WT1 O ATOM 4718 H1 TIP3 549 38.580 94.828 -17.253 1.00 0.00 WT1 H ATOM 4719 H2 TIP3 549 38.795 94.562 -15.778 1.00 0.00 WT1 H ATOM 4720 OH2 TIP3 550 35.692 14.884 -18.715 1.00 0.00 WT1 O ATOM 4721 H1 TIP3 550 35.595 15.808 -18.483 1.00 0.00 WT1 H ATOM 4722 H2 TIP3 550 34.828 14.626 -19.036 1.00 0.00 WT1 H ATOM 4723 OH2 TIP3 551 79.430 72.761 23.076 1.00 0.00 WT1 O ATOM 4724 H1 TIP3 551 80.123 72.295 23.543 1.00 0.00 WT1 H ATOM 4725 H2 TIP3 551 78.634 72.268 23.274 1.00 0.00 WT1 H ATOM 4726 OH2 TIP3 552 87.407 35.555 54.324 1.00 0.00 WT1 O ATOM 4727 H1 TIP3 552 87.501 34.776 53.776 1.00 0.00 WT1 H ATOM 4728 H2 TIP3 552 87.353 35.216 55.217 1.00 0.00 WT1 H ATOM 4729 OH2 TIP3 553 71.839 16.642 65.913 1.00 0.00 WT1 O ATOM 4730 H1 TIP3 553 70.897 16.751 65.778 1.00 0.00 WT1 H ATOM 4731 H2 TIP3 553 72.084 17.369 66.486 1.00 0.00 WT1 H ATOM 4732 OH2 TIP3 554 81.563 32.862 4.208 1.00 0.00 WT1 O ATOM 4733 H1 TIP3 554 82.463 32.920 4.530 1.00 0.00 WT1 H ATOM 4734 H2 TIP3 554 81.146 32.215 4.777 1.00 0.00 WT1 H ATOM 4735 OH2 TIP3 555 79.853 34.149 6.451 1.00 0.00 WT1 O ATOM 4736 H1 TIP3 555 79.807 34.469 7.352 1.00 0.00 WT1 H ATOM 4737 H2 TIP3 555 79.672 34.919 5.912 1.00 0.00 WT1 H ATOM 4738 OH2 TIP3 556 40.509 21.594 61.596 1.00 0.00 WT1 O ATOM 4739 H1 TIP3 556 40.173 20.716 61.415 1.00 0.00 WT1 H ATOM 4740 H2 TIP3 556 39.961 21.919 62.310 1.00 0.00 WT1 H ATOM 4741 OH2 TIP3 557 51.609 68.893 -6.162 1.00 0.00 WT1 O ATOM 4742 H1 TIP3 557 51.608 68.318 -5.397 1.00 0.00 WT1 H ATOM 4743 H2 TIP3 557 52.511 68.868 -6.481 1.00 0.00 WT1 H ATOM 4744 OH2 TIP3 558 82.113 20.365 -10.752 1.00 0.00 WT1 O ATOM 4745 H1 TIP3 558 82.314 19.897 -9.942 1.00 0.00 WT1 H ATOM 4746 H2 TIP3 558 81.298 19.972 -11.062 1.00 0.00 WT1 H ATOM 4747 OH2 TIP3 559 90.037 63.013 7.266 1.00 0.00 WT1 O ATOM 4748 H1 TIP3 559 90.213 62.483 8.043 1.00 0.00 WT1 H ATOM 4749 H2 TIP3 559 90.773 62.832 6.681 1.00 0.00 WT1 H ATOM 4750 OH2 TIP3 560 22.190 44.380 42.049 1.00 0.00 WT1 O ATOM 4751 H1 TIP3 560 22.466 45.238 42.372 1.00 0.00 WT1 H ATOM 4752 H2 TIP3 560 21.265 44.492 41.830 1.00 0.00 WT1 H ATOM 4753 OH2 TIP3 561 82.820 21.158 -16.237 1.00 0.00 WT1 O ATOM 4754 H1 TIP3 561 83.617 20.986 -15.735 1.00 0.00 WT1 H ATOM 4755 H2 TIP3 561 82.273 20.387 -16.090 1.00 0.00 WT1 H ATOM 4756 OH2 TIP3 562 69.323 68.280 22.695 1.00 0.00 WT1 O ATOM 4757 H1 TIP3 562 68.469 68.306 22.263 1.00 0.00 WT1 H ATOM 4758 H2 TIP3 562 69.922 67.954 22.024 1.00 0.00 WT1 H ATOM 4759 OH2 TIP3 563 38.998 68.550 11.073 1.00 0.00 WT1 O ATOM 4760 H1 TIP3 563 39.039 69.119 11.842 1.00 0.00 WT1 H ATOM 4761 H2 TIP3 563 39.426 67.740 11.352 1.00 0.00 WT1 H ATOM 4762 OH2 TIP3 564 85.076 32.367 56.390 1.00 0.00 WT1 O ATOM 4763 H1 TIP3 564 85.149 32.668 55.484 1.00 0.00 WT1 H ATOM 4764 H2 TIP3 564 84.148 32.464 56.601 1.00 0.00 WT1 H ATOM 4765 OH2 TIP3 565 64.402 18.656 29.667 1.00 0.00 WT1 O ATOM 4766 H1 TIP3 565 65.185 19.153 29.429 1.00 0.00 WT1 H ATOM 4767 H2 TIP3 565 64.280 18.041 28.944 1.00 0.00 WT1 H ATOM 4768 OH2 TIP3 567 79.574 34.291 32.040 1.00 0.00 WT1 O ATOM 4769 H1 TIP3 567 78.743 34.261 31.566 1.00 0.00 WT1 H ATOM 4770 H2 TIP3 567 79.325 34.457 32.949 1.00 0.00 WT1 H ATOM 4771 OH2 TIP3 568 42.773 31.384 -4.130 1.00 0.00 WT1 O ATOM 4772 H1 TIP3 568 43.204 31.586 -3.300 1.00 0.00 WT1 H ATOM 4773 H2 TIP3 568 42.052 30.802 -3.891 1.00 0.00 WT1 H ATOM 4774 OH2 TIP3 569 36.648 14.050 12.013 1.00 0.00 WT1 O ATOM 4775 H1 TIP3 569 37.236 13.296 12.054 1.00 0.00 WT1 H ATOM 4776 H2 TIP3 569 37.229 14.801 11.893 1.00 0.00 WT1 H ATOM 4777 OH2 TIP3 570 55.345 20.127 43.816 1.00 0.00 WT1 O ATOM 4778 H1 TIP3 570 54.799 20.350 43.062 1.00 0.00 WT1 H ATOM 4779 H2 TIP3 570 56.193 20.527 43.626 1.00 0.00 WT1 H ATOM 4780 OH2 TIP3 571 56.055 27.152 -11.279 1.00 0.00 WT1 O ATOM 4781 H1 TIP3 571 55.962 27.802 -10.583 1.00 0.00 WT1 H ATOM 4782 H2 TIP3 571 56.924 27.314 -11.645 1.00 0.00 WT1 H ATOM 4783 OH2 TIP3 572 24.239 2.574 -15.710 1.00 0.00 WT1 O ATOM 4784 H1 TIP3 572 24.634 2.154 -16.474 1.00 0.00 WT1 H ATOM 4785 H2 TIP3 572 23.385 2.876 -16.017 1.00 0.00 WT1 H ATOM 4786 OH2 TIP3 573 48.594 34.994 9.161 1.00 0.00 WT1 O ATOM 4787 H1 TIP3 573 48.074 34.863 9.954 1.00 0.00 WT1 H ATOM 4788 H2 TIP3 573 49.038 34.157 9.025 1.00 0.00 WT1 H ATOM 4789 OH2 TIP3 574 69.585 46.230 37.362 1.00 0.00 WT1 O ATOM 4790 H1 TIP3 574 70.416 46.670 37.181 1.00 0.00 WT1 H ATOM 4791 H2 TIP3 574 68.966 46.624 36.748 1.00 0.00 WT1 H ATOM 4792 OH2 TIP3 575 88.251 81.828 10.740 1.00 0.00 WT1 O ATOM 4793 H1 TIP3 575 87.655 82.369 10.222 1.00 0.00 WT1 H ATOM 4794 H2 TIP3 575 88.198 80.961 10.340 1.00 0.00 WT1 H ATOM 4795 OH2 TIP3 576 30.682 41.530 12.646 1.00 0.00 WT1 O ATOM 4796 H1 TIP3 576 30.951 41.912 13.482 1.00 0.00 WT1 H ATOM 4797 H2 TIP3 576 30.424 42.280 12.111 1.00 0.00 WT1 H ATOM 4798 OH2 TIP3 577 29.640 30.489 24.400 1.00 0.00 WT1 O ATOM 4799 H1 TIP3 577 29.883 30.416 25.323 1.00 0.00 WT1 H ATOM 4800 H2 TIP3 577 28.897 29.894 24.300 1.00 0.00 WT1 H ATOM 4801 OH2 TIP3 578 23.853 18.861 3.099 1.00 0.00 WT1 O ATOM 4802 H1 TIP3 578 23.254 19.216 2.442 1.00 0.00 WT1 H ATOM 4803 H2 TIP3 578 24.460 19.578 3.282 1.00 0.00 WT1 H ATOM 4804 OH2 TIP3 579 84.567 36.555 14.829 1.00 0.00 WT1 O ATOM 4805 H1 TIP3 579 83.716 36.138 14.964 1.00 0.00 WT1 H ATOM 4806 H2 TIP3 579 85.004 36.004 14.179 1.00 0.00 WT1 H ATOM 4807 OH2 TIP3 580 35.914 49.704 1.943 1.00 0.00 WT1 O ATOM 4808 H1 TIP3 580 36.462 49.401 2.666 1.00 0.00 WT1 H ATOM 4809 H2 TIP3 580 36.124 50.634 1.856 1.00 0.00 WT1 H ATOM 4810 OH2 TIP3 581 22.426 9.117 10.260 1.00 0.00 WT1 O ATOM 4811 H1 TIP3 581 22.566 10.051 10.415 1.00 0.00 WT1 H ATOM 4812 H2 TIP3 581 21.478 9.030 10.156 1.00 0.00 WT1 H ATOM 4813 OH2 TIP3 582 67.724 75.710 -16.623 1.00 0.00 WT1 O ATOM 4814 H1 TIP3 582 68.452 75.089 -16.639 1.00 0.00 WT1 H ATOM 4815 H2 TIP3 582 66.978 75.213 -16.961 1.00 0.00 WT1 H ATOM 4816 OH2 TIP3 583 20.912 31.785 14.569 1.00 0.00 WT1 O ATOM 4817 H1 TIP3 583 21.029 31.751 15.518 1.00 0.00 WT1 H ATOM 4818 H2 TIP3 583 20.844 32.718 14.368 1.00 0.00 WT1 H ATOM 4819 OH2 TIP3 584 53.406 10.851 -5.180 1.00 0.00 WT1 O ATOM 4820 H1 TIP3 584 54.308 10.577 -5.015 1.00 0.00 WT1 H ATOM 4821 H2 TIP3 584 52.950 10.044 -5.417 1.00 0.00 WT1 H ATOM 4822 OH2 TIP3 585 75.843 83.007 47.957 1.00 0.00 WT1 O ATOM 4823 H1 TIP3 585 75.834 82.528 47.128 1.00 0.00 WT1 H ATOM 4824 H2 TIP3 585 76.408 83.762 47.792 1.00 0.00 WT1 H ATOM 4825 OH2 TIP3 586 32.383 91.643 -11.850 1.00 0.00 WT1 O ATOM 4826 H1 TIP3 586 32.387 90.728 -11.569 1.00 0.00 WT1 H ATOM 4827 H2 TIP3 586 33.021 92.072 -11.280 1.00 0.00 WT1 H ATOM 4828 OH2 TIP3 587 21.687 85.005 41.350 1.00 0.00 WT1 O ATOM 4829 H1 TIP3 587 21.123 84.242 41.476 1.00 0.00 WT1 H ATOM 4830 H2 TIP3 587 21.335 85.438 40.573 1.00 0.00 WT1 H ATOM 4831 OH2 TIP3 588 36.087 70.862 -9.885 1.00 0.00 WT1 O ATOM 4832 H1 TIP3 588 35.825 71.500 -9.221 1.00 0.00 WT1 H ATOM 4833 H2 TIP3 588 35.373 70.225 -9.901 1.00 0.00 WT1 H ATOM 4834 OH2 TIP3 589 40.059 22.027 30.922 1.00 0.00 WT1 O ATOM 4835 H1 TIP3 589 40.406 22.384 30.105 1.00 0.00 WT1 H ATOM 4836 H2 TIP3 589 39.365 22.637 31.175 1.00 0.00 WT1 H ATOM 4837 OH2 TIP3 590 24.855 33.487 50.117 1.00 0.00 WT1 O ATOM 4838 H1 TIP3 590 24.511 34.376 50.202 1.00 0.00 WT1 H ATOM 4839 H2 TIP3 590 25.447 33.529 49.366 1.00 0.00 WT1 H ATOM 4840 OH2 TIP3 591 86.689 75.256 19.482 1.00 0.00 WT1 O ATOM 4841 H1 TIP3 591 85.969 75.743 19.884 1.00 0.00 WT1 H ATOM 4842 H2 TIP3 591 86.721 75.577 18.581 1.00 0.00 WT1 H ATOM 4843 OH2 TIP3 592 26.624 89.568 65.900 1.00 0.00 WT1 O ATOM 4844 H1 TIP3 592 27.073 88.835 66.321 1.00 0.00 WT1 H ATOM 4845 H2 TIP3 592 25.720 89.269 65.799 1.00 0.00 WT1 H ATOM 4846 OH2 TIP3 593 39.901 20.563 16.451 1.00 0.00 WT1 O ATOM 4847 H1 TIP3 593 40.554 19.900 16.675 1.00 0.00 WT1 H ATOM 4848 H2 TIP3 593 39.767 21.052 17.262 1.00 0.00 WT1 H ATOM 4849 OH2 TIP3 594 71.273 73.348 4.483 1.00 0.00 WT1 O ATOM 4850 H1 TIP3 594 70.833 72.912 3.754 1.00 0.00 WT1 H ATOM 4851 H2 TIP3 594 71.519 72.637 5.075 1.00 0.00 WT1 H ATOM 4852 OH2 TIP3 595 64.419 18.362 37.731 1.00 0.00 WT1 O ATOM 4853 H1 TIP3 595 63.817 18.428 38.473 1.00 0.00 WT1 H ATOM 4854 H2 TIP3 595 64.602 19.270 37.489 1.00 0.00 WT1 H ATOM 4855 OH2 TIP3 596 50.256 42.466 -6.239 1.00 0.00 WT1 O ATOM 4856 H1 TIP3 596 50.359 43.375 -6.520 1.00 0.00 WT1 H ATOM 4857 H2 TIP3 596 50.758 42.407 -5.426 1.00 0.00 WT1 H ATOM 4858 OH2 TIP3 597 67.451 83.666 -11.941 1.00 0.00 WT1 O ATOM 4859 H1 TIP3 597 68.327 83.965 -11.696 1.00 0.00 WT1 H ATOM 4860 H2 TIP3 597 67.605 82.966 -12.576 1.00 0.00 WT1 H ATOM 4861 OH2 TIP3 598 35.638 15.004 -12.705 1.00 0.00 WT1 O ATOM 4862 H1 TIP3 598 34.780 14.739 -13.035 1.00 0.00 WT1 H ATOM 4863 H2 TIP3 598 35.919 14.274 -12.152 1.00 0.00 WT1 H ATOM 4864 OH2 TIP3 599 80.518 49.990 39.600 1.00 0.00 WT1 O ATOM 4865 H1 TIP3 599 80.433 50.230 38.678 1.00 0.00 WT1 H ATOM 4866 H2 TIP3 599 80.305 49.057 39.626 1.00 0.00 WT1 H ATOM 4867 OH2 TIP3 600 48.001 30.170 51.181 1.00 0.00 WT1 O ATOM 4868 H1 TIP3 600 47.707 31.070 51.317 1.00 0.00 WT1 H ATOM 4869 H2 TIP3 600 47.567 29.895 50.373 1.00 0.00 WT1 H ATOM 4870 OH2 TIP3 602 24.081 90.932 47.679 1.00 0.00 WT1 O ATOM 4871 H1 TIP3 602 24.631 91.491 47.130 1.00 0.00 WT1 H ATOM 4872 H2 TIP3 602 24.494 90.963 48.542 1.00 0.00 WT1 H ATOM 4873 OH2 TIP3 603 38.029 16.823 35.492 1.00 0.00 WT1 O ATOM 4874 H1 TIP3 603 38.935 17.010 35.737 1.00 0.00 WT1 H ATOM 4875 H2 TIP3 603 37.719 17.629 35.081 1.00 0.00 WT1 H ATOM 4876 OH2 TIP3 604 22.049 67.173 30.487 1.00 0.00 WT1 O ATOM 4877 H1 TIP3 604 21.161 66.894 30.711 1.00 0.00 WT1 H ATOM 4878 H2 TIP3 604 22.502 66.365 30.246 1.00 0.00 WT1 H ATOM 4879 OH2 TIP3 605 51.968 11.994 9.393 1.00 0.00 WT1 O ATOM 4880 H1 TIP3 605 51.293 12.449 9.896 1.00 0.00 WT1 H ATOM 4881 H2 TIP3 605 51.725 12.140 8.478 1.00 0.00 WT1 H ATOM 4882 OH2 TIP3 606 44.252 2.263 57.463 1.00 0.00 WT1 O ATOM 4883 H1 TIP3 606 43.421 2.526 57.860 1.00 0.00 WT1 H ATOM 4884 H2 TIP3 606 44.692 1.753 58.143 1.00 0.00 WT1 H ATOM 4885 OH2 TIP3 607 71.022 80.915 58.113 1.00 0.00 WT1 O ATOM 4886 H1 TIP3 607 70.694 80.078 58.441 1.00 0.00 WT1 H ATOM 4887 H2 TIP3 607 71.849 80.697 57.683 1.00 0.00 WT1 H ATOM 4888 OH2 TIP3 608 29.250 69.111 -5.812 1.00 0.00 WT1 O ATOM 4889 H1 TIP3 608 29.809 69.130 -5.035 1.00 0.00 WT1 H ATOM 4890 H2 TIP3 608 29.841 69.314 -6.537 1.00 0.00 WT1 H ATOM 4891 OH2 TIP3 609 49.390 10.937 43.246 1.00 0.00 WT1 O ATOM 4892 H1 TIP3 609 49.848 10.356 43.853 1.00 0.00 WT1 H ATOM 4893 H2 TIP3 609 48.648 10.421 42.933 1.00 0.00 WT1 H ATOM 4894 OH2 TIP3 610 23.476 28.477 32.014 1.00 0.00 WT1 O ATOM 4895 H1 TIP3 610 24.397 28.669 32.189 1.00 0.00 WT1 H ATOM 4896 H2 TIP3 610 23.297 28.900 31.174 1.00 0.00 WT1 H ATOM 4897 OH2 TIP3 611 39.427 14.436 15.571 1.00 0.00 WT1 O ATOM 4898 H1 TIP3 611 39.920 14.123 14.813 1.00 0.00 WT1 H ATOM 4899 H2 TIP3 611 39.204 15.341 15.356 1.00 0.00 WT1 H ATOM 4900 OH2 TIP3 612 89.170 89.277 33.248 1.00 0.00 WT1 O ATOM 4901 H1 TIP3 612 88.554 89.460 32.538 1.00 0.00 WT1 H ATOM 4902 H2 TIP3 612 88.676 88.731 33.859 1.00 0.00 WT1 H ATOM 4903 OH2 TIP3 613 66.409 23.514 18.032 1.00 0.00 WT1 O ATOM 4904 H1 TIP3 613 65.856 23.952 17.385 1.00 0.00 WT1 H ATOM 4905 H2 TIP3 613 65.961 23.656 18.866 1.00 0.00 WT1 H ATOM 4906 OH2 TIP3 614 69.078 36.550 51.565 1.00 0.00 WT1 O ATOM 4907 H1 TIP3 614 69.977 36.298 51.354 1.00 0.00 WT1 H ATOM 4908 H2 TIP3 614 68.919 37.336 51.042 1.00 0.00 WT1 H ATOM 4909 OH2 TIP3 615 78.473 26.156 40.120 1.00 0.00 WT1 O ATOM 4910 H1 TIP3 615 79.201 26.013 39.516 1.00 0.00 WT1 H ATOM 4911 H2 TIP3 615 78.739 25.715 40.926 1.00 0.00 WT1 H ATOM 4912 OH2 TIP3 616 52.981 80.060 24.505 1.00 0.00 WT1 O ATOM 4913 H1 TIP3 616 53.529 79.277 24.558 1.00 0.00 WT1 H ATOM 4914 H2 TIP3 616 52.514 80.083 25.340 1.00 0.00 WT1 H ATOM 4915 OH2 TIP3 617 84.289 21.731 -8.041 1.00 0.00 WT1 O ATOM 4916 H1 TIP3 617 85.028 22.326 -7.915 1.00 0.00 WT1 H ATOM 4917 H2 TIP3 617 84.532 20.941 -7.558 1.00 0.00 WT1 H ATOM 4918 OH2 TIP3 618 21.984 55.126 2.934 1.00 0.00 WT1 O ATOM 4919 H1 TIP3 618 22.438 55.784 3.460 1.00 0.00 WT1 H ATOM 4920 H2 TIP3 618 21.057 55.257 3.133 1.00 0.00 WT1 H ATOM 4921 OH2 TIP3 619 23.557 26.522 8.813 1.00 0.00 WT1 O ATOM 4922 H1 TIP3 619 23.437 27.325 9.320 1.00 0.00 WT1 H ATOM 4923 H2 TIP3 619 24.331 26.109 9.198 1.00 0.00 WT1 H ATOM 4924 OH2 TIP3 620 78.378 66.602 -2.806 1.00 0.00 WT1 O ATOM 4925 H1 TIP3 620 79.209 67.022 -2.585 1.00 0.00 WT1 H ATOM 4926 H2 TIP3 620 78.279 65.908 -2.154 1.00 0.00 WT1 H ATOM 4927 OH2 TIP3 621 59.150 96.844 12.909 1.00 0.00 WT1 O ATOM 4928 H1 TIP3 621 59.641 96.566 12.136 1.00 0.00 WT1 H ATOM 4929 H2 TIP3 621 59.552 96.366 13.634 1.00 0.00 WT1 H ATOM 4930 OH2 TIP3 622 58.197 78.791 30.644 1.00 0.00 WT1 O ATOM 4931 H1 TIP3 622 57.268 78.979 30.779 1.00 0.00 WT1 H ATOM 4932 H2 TIP3 622 58.499 78.460 31.490 1.00 0.00 WT1 H ATOM 4933 OH2 TIP3 623 40.803 73.289 11.024 1.00 0.00 WT1 O ATOM 4934 H1 TIP3 623 41.520 73.914 11.127 1.00 0.00 WT1 H ATOM 4935 H2 TIP3 623 40.906 72.683 11.758 1.00 0.00 WT1 H ATOM 4936 OH2 TIP3 624 50.173 42.569 6.014 1.00 0.00 WT1 O ATOM 4937 H1 TIP3 624 50.247 41.963 6.752 1.00 0.00 WT1 H ATOM 4938 H2 TIP3 624 50.978 43.087 6.047 1.00 0.00 WT1 H ATOM 4939 OH2 TIP3 625 22.237 20.740 65.226 1.00 0.00 WT1 O ATOM 4940 H1 TIP3 625 23.121 21.013 64.981 1.00 0.00 WT1 H ATOM 4941 H2 TIP3 625 22.113 21.090 66.108 1.00 0.00 WT1 H ATOM 4942 OH2 TIP3 626 27.263 2.693 26.398 1.00 0.00 WT1 O ATOM 4943 H1 TIP3 626 27.588 2.522 25.514 1.00 0.00 WT1 H ATOM 4944 H2 TIP3 626 27.867 2.221 26.972 1.00 0.00 WT1 H ATOM 4945 OH2 TIP3 627 51.339 26.197 49.046 1.00 0.00 WT1 O ATOM 4946 H1 TIP3 627 50.739 25.923 49.739 1.00 0.00 WT1 H ATOM 4947 H2 TIP3 627 52.184 25.825 49.299 1.00 0.00 WT1 H ATOM 4948 OH2 TIP3 628 56.870 28.055 34.534 1.00 0.00 WT1 O ATOM 4949 H1 TIP3 628 56.773 28.931 34.160 1.00 0.00 WT1 H ATOM 4950 H2 TIP3 628 56.884 27.470 33.776 1.00 0.00 WT1 H ATOM 4951 OH2 TIP3 629 74.555 91.615 52.761 1.00 0.00 WT1 O ATOM 4952 H1 TIP3 629 74.634 90.683 52.966 1.00 0.00 WT1 H ATOM 4953 H2 TIP3 629 74.783 91.677 51.834 1.00 0.00 WT1 H ATOM 4954 OH2 TIP3 630 21.031 42.529 -4.622 1.00 0.00 WT1 O ATOM 4955 H1 TIP3 630 20.524 42.588 -3.812 1.00 0.00 WT1 H ATOM 4956 H2 TIP3 630 21.446 43.387 -4.708 1.00 0.00 WT1 H ATOM 4957 OH2 TIP3 631 44.238 27.372 -4.705 1.00 0.00 WT1 O ATOM 4958 H1 TIP3 631 43.286 27.315 -4.786 1.00 0.00 WT1 H ATOM 4959 H2 TIP3 631 44.516 27.857 -5.483 1.00 0.00 WT1 H ATOM 4960 OH2 TIP3 632 54.505 81.638 66.690 1.00 0.00 WT1 O ATOM 4961 H1 TIP3 632 53.912 81.830 67.417 1.00 0.00 WT1 H ATOM 4962 H2 TIP3 632 55.171 81.065 67.069 1.00 0.00 WT1 H ATOM 4963 OH2 TIP3 633 67.506 68.642 40.554 1.00 0.00 WT1 O ATOM 4964 H1 TIP3 633 68.106 69.208 40.068 1.00 0.00 WT1 H ATOM 4965 H2 TIP3 633 67.878 67.765 40.466 1.00 0.00 WT1 H ATOM 4966 OH2 TIP3 634 38.133 94.289 12.642 1.00 0.00 WT1 O ATOM 4967 H1 TIP3 634 38.161 94.109 11.702 1.00 0.00 WT1 H ATOM 4968 H2 TIP3 634 38.223 95.240 12.706 1.00 0.00 WT1 H ATOM 4969 OH2 TIP3 635 89.671 40.889 32.534 1.00 0.00 WT1 O ATOM 4970 H1 TIP3 635 90.231 40.113 32.557 1.00 0.00 WT1 H ATOM 4971 H2 TIP3 635 89.188 40.813 31.711 1.00 0.00 WT1 H ATOM 4972 OH2 TIP3 636 32.068 46.348 44.175 1.00 0.00 WT1 O ATOM 4973 H1 TIP3 636 32.239 45.968 45.037 1.00 0.00 WT1 H ATOM 4974 H2 TIP3 636 31.887 47.271 44.352 1.00 0.00 WT1 H ATOM 4975 OH2 TIP3 637 59.615 28.988 47.882 1.00 0.00 WT1 O ATOM 4976 H1 TIP3 637 59.704 28.047 47.734 1.00 0.00 WT1 H ATOM 4977 H2 TIP3 637 58.694 29.174 47.702 1.00 0.00 WT1 H ATOM 4978 OH2 TIP3 638 57.844 35.255 57.987 1.00 0.00 WT1 O ATOM 4979 H1 TIP3 638 57.505 35.992 57.480 1.00 0.00 WT1 H ATOM 4980 H2 TIP3 638 57.463 35.367 58.858 1.00 0.00 WT1 H ATOM 4981 OH2 TIP3 639 85.186 26.743 7.625 1.00 0.00 WT1 O ATOM 4982 H1 TIP3 639 84.281 26.650 7.327 1.00 0.00 WT1 H ATOM 4983 H2 TIP3 639 85.452 27.610 7.320 1.00 0.00 WT1 H ATOM 4984 OH2 TIP3 640 50.262 28.566 53.595 1.00 0.00 WT1 O ATOM 4985 H1 TIP3 640 50.855 27.849 53.820 1.00 0.00 WT1 H ATOM 4986 H2 TIP3 640 50.228 28.559 52.638 1.00 0.00 WT1 H ATOM 4987 OH2 TIP3 641 59.827 49.335 65.061 1.00 0.00 WT1 O ATOM 4988 H1 TIP3 641 60.153 48.644 64.485 1.00 0.00 WT1 H ATOM 4989 H2 TIP3 641 59.661 50.075 64.477 1.00 0.00 WT1 H ATOM 4990 OH2 TIP3 642 43.383 16.961 -11.975 1.00 0.00 WT1 O ATOM 4991 H1 TIP3 642 43.054 17.732 -12.437 1.00 0.00 WT1 H ATOM 4992 H2 TIP3 642 42.612 16.594 -11.543 1.00 0.00 WT1 H ATOM 4993 OH2 TIP3 643 88.694 36.126 -13.960 1.00 0.00 WT1 O ATOM 4994 H1 TIP3 643 88.453 36.764 -14.633 1.00 0.00 WT1 H ATOM 4995 H2 TIP3 643 89.635 36.248 -13.841 1.00 0.00 WT1 H ATOM 4996 OH2 TIP3 644 80.093 3.661 35.626 1.00 0.00 WT1 O ATOM 4997 H1 TIP3 644 79.904 4.076 36.468 1.00 0.00 WT1 H ATOM 4998 H2 TIP3 644 79.945 2.728 35.780 1.00 0.00 WT1 H ATOM 4999 OH2 TIP3 645 77.313 29.149 9.428 1.00 0.00 WT1 O ATOM 5000 H1 TIP3 645 76.923 29.494 10.231 1.00 0.00 WT1 H ATOM 5001 H2 TIP3 645 76.813 28.355 9.240 1.00 0.00 WT1 H ATOM 5002 OH2 TIP3 646 81.863 57.366 14.332 1.00 0.00 WT1 O ATOM 5003 H1 TIP3 646 81.792 58.288 14.583 1.00 0.00 WT1 H ATOM 5004 H2 TIP3 646 81.789 56.887 15.158 1.00 0.00 WT1 H ATOM 5005 OH2 TIP3 647 67.542 32.157 -1.573 1.00 0.00 WT1 O ATOM 5006 H1 TIP3 647 67.208 31.382 -1.121 1.00 0.00 WT1 H ATOM 5007 H2 TIP3 647 66.950 32.862 -1.309 1.00 0.00 WT1 H ATOM 5008 OH2 TIP3 648 47.314 50.336 -10.737 1.00 0.00 WT1 O ATOM 5009 H1 TIP3 648 46.581 49.763 -10.962 1.00 0.00 WT1 H ATOM 5010 H2 TIP3 648 47.251 50.446 -9.788 1.00 0.00 WT1 H ATOM 5011 OH2 TIP3 649 74.406 55.527 25.116 1.00 0.00 WT1 O ATOM 5012 H1 TIP3 649 73.588 55.808 24.707 1.00 0.00 WT1 H ATOM 5013 H2 TIP3 649 74.510 54.615 24.845 1.00 0.00 WT1 H ATOM 5014 OH2 TIP3 650 44.571 39.860 22.997 1.00 0.00 WT1 O ATOM 5015 H1 TIP3 650 44.990 39.910 22.138 1.00 0.00 WT1 H ATOM 5016 H2 TIP3 650 45.294 39.726 23.609 1.00 0.00 WT1 H ATOM 5017 OH2 TIP3 651 31.746 10.567 34.756 1.00 0.00 WT1 O ATOM 5018 H1 TIP3 651 31.831 10.049 35.556 1.00 0.00 WT1 H ATOM 5019 H2 TIP3 651 31.435 9.944 34.099 1.00 0.00 WT1 H ATOM 5020 OH2 TIP3 652 56.962 89.294 13.413 1.00 0.00 WT1 O ATOM 5021 H1 TIP3 652 56.733 90.120 13.839 1.00 0.00 WT1 H ATOM 5022 H2 TIP3 652 57.885 89.162 13.626 1.00 0.00 WT1 H ATOM 5023 OH2 TIP3 653 28.077 12.765 7.038 1.00 0.00 WT1 O ATOM 5024 H1 TIP3 653 28.539 13.261 6.362 1.00 0.00 WT1 H ATOM 5025 H2 TIP3 653 28.766 12.291 7.503 1.00 0.00 WT1 H ATOM 5026 OH2 TIP3 654 33.341 85.524 28.967 1.00 0.00 WT1 O ATOM 5027 H1 TIP3 654 33.449 84.574 28.917 1.00 0.00 WT1 H ATOM 5028 H2 TIP3 654 33.882 85.788 29.711 1.00 0.00 WT1 H ATOM 5029 OH2 TIP3 655 32.023 34.621 25.595 1.00 0.00 WT1 O ATOM 5030 H1 TIP3 655 31.797 33.807 25.145 1.00 0.00 WT1 H ATOM 5031 H2 TIP3 655 32.781 34.958 25.118 1.00 0.00 WT1 H ATOM 5032 OH2 TIP3 656 82.074 16.493 60.972 1.00 0.00 WT1 O ATOM 5033 H1 TIP3 656 82.596 15.905 60.427 1.00 0.00 WT1 H ATOM 5034 H2 TIP3 656 82.607 17.285 61.050 1.00 0.00 WT1 H ATOM 5035 OH2 TIP3 657 33.009 24.441 -17.917 1.00 0.00 WT1 O ATOM 5036 H1 TIP3 657 33.072 25.267 -18.396 1.00 0.00 WT1 H ATOM 5037 H2 TIP3 657 33.629 24.535 -17.194 1.00 0.00 WT1 H ATOM 5038 OH2 TIP3 658 32.592 47.764 -2.417 1.00 0.00 WT1 O ATOM 5039 H1 TIP3 658 33.401 48.139 -2.068 1.00 0.00 WT1 H ATOM 5040 H2 TIP3 658 32.187 47.328 -1.667 1.00 0.00 WT1 H ATOM 5041 OH2 TIP3 659 24.664 53.217 55.133 1.00 0.00 WT1 O ATOM 5042 H1 TIP3 659 24.278 52.376 55.380 1.00 0.00 WT1 H ATOM 5043 H2 TIP3 659 23.983 53.860 55.328 1.00 0.00 WT1 H ATOM 5044 OH2 TIP3 660 82.727 70.430 30.183 1.00 0.00 WT1 O ATOM 5045 H1 TIP3 660 82.665 69.707 30.807 1.00 0.00 WT1 H ATOM 5046 H2 TIP3 660 82.336 70.088 29.379 1.00 0.00 WT1 H ATOM 5047 OH2 TIP3 661 26.960 74.620 12.677 1.00 0.00 WT1 O ATOM 5048 H1 TIP3 661 26.833 73.673 12.737 1.00 0.00 WT1 H ATOM 5049 H2 TIP3 661 26.102 74.990 12.884 1.00 0.00 WT1 H ATOM 5050 OH2 TIP3 662 39.534 51.111 11.258 1.00 0.00 WT1 O ATOM 5051 H1 TIP3 662 40.342 50.984 11.755 1.00 0.00 WT1 H ATOM 5052 H2 TIP3 662 39.087 51.829 11.705 1.00 0.00 WT1 H ATOM 5053 OH2 TIP3 663 66.398 20.812 64.866 1.00 0.00 WT1 O ATOM 5054 H1 TIP3 663 67.206 20.440 64.510 1.00 0.00 WT1 H ATOM 5055 H2 TIP3 663 66.685 21.334 65.616 1.00 0.00 WT1 H ATOM 5056 OH2 TIP3 664 54.178 25.340 32.739 1.00 0.00 WT1 O ATOM 5057 H1 TIP3 664 53.267 25.222 32.469 1.00 0.00 WT1 H ATOM 5058 H2 TIP3 664 54.490 24.455 32.927 1.00 0.00 WT1 H ATOM 5059 OH2 TIP3 665 45.004 5.249 -1.885 1.00 0.00 WT1 O ATOM 5060 H1 TIP3 665 45.172 4.732 -2.672 1.00 0.00 WT1 H ATOM 5061 H2 TIP3 665 45.464 4.781 -1.188 1.00 0.00 WT1 H ATOM 5062 OH2 TIP3 666 74.901 48.148 57.090 1.00 0.00 WT1 O ATOM 5063 H1 TIP3 666 74.663 48.758 56.392 1.00 0.00 WT1 H ATOM 5064 H2 TIP3 666 75.436 47.483 56.656 1.00 0.00 WT1 H ATOM 5065 OH2 TIP3 667 50.201 51.394 62.188 1.00 0.00 WT1 O ATOM 5066 H1 TIP3 667 50.300 51.001 61.321 1.00 0.00 WT1 H ATOM 5067 H2 TIP3 667 50.276 52.336 62.035 1.00 0.00 WT1 H ATOM 5068 OH2 TIP3 668 65.258 22.509 55.503 1.00 0.00 WT1 O ATOM 5069 H1 TIP3 668 65.537 22.873 56.344 1.00 0.00 WT1 H ATOM 5070 H2 TIP3 668 64.722 23.197 55.110 1.00 0.00 WT1 H ATOM 5071 OH2 TIP3 669 22.861 79.350 40.930 1.00 0.00 WT1 O ATOM 5072 H1 TIP3 669 22.015 79.610 41.295 1.00 0.00 WT1 H ATOM 5073 H2 TIP3 669 22.691 79.222 39.997 1.00 0.00 WT1 H ATOM 5074 OH2 TIP3 670 79.018 56.544 28.629 1.00 0.00 WT1 O ATOM 5075 H1 TIP3 670 79.001 56.394 27.683 1.00 0.00 WT1 H ATOM 5076 H2 TIP3 670 79.140 57.489 28.720 1.00 0.00 WT1 H ATOM 5077 OH2 TIP3 671 74.620 72.125 28.153 1.00 0.00 WT1 O ATOM 5078 H1 TIP3 671 74.281 71.741 27.344 1.00 0.00 WT1 H ATOM 5079 H2 TIP3 671 73.869 72.137 28.746 1.00 0.00 WT1 H ATOM 5080 OH2 TIP3 672 73.740 28.535 7.587 1.00 0.00 WT1 O ATOM 5081 H1 TIP3 672 73.948 28.986 8.405 1.00 0.00 WT1 H ATOM 5082 H2 TIP3 672 72.800 28.362 7.641 1.00 0.00 WT1 H ATOM 5083 OH2 TIP3 673 89.893 82.070 62.548 1.00 0.00 WT1 O ATOM 5084 H1 TIP3 673 89.428 81.422 63.077 1.00 0.00 WT1 H ATOM 5085 H2 TIP3 673 90.773 82.101 62.924 1.00 0.00 WT1 H ATOM 5086 OH2 TIP3 674 72.830 90.568 42.243 1.00 0.00 WT1 O ATOM 5087 H1 TIP3 674 72.146 89.949 41.988 1.00 0.00 WT1 H ATOM 5088 H2 TIP3 674 72.577 91.391 41.824 1.00 0.00 WT1 H ATOM 5089 OH2 TIP3 675 85.834 27.653 43.836 1.00 0.00 WT1 O ATOM 5090 H1 TIP3 675 86.324 28.446 43.619 1.00 0.00 WT1 H ATOM 5091 H2 TIP3 675 86.453 27.116 44.332 1.00 0.00 WT1 H ATOM 5092 OH2 TIP3 676 38.327 6.924 -8.666 1.00 0.00 WT1 O ATOM 5093 H1 TIP3 676 38.667 6.508 -7.874 1.00 0.00 WT1 H ATOM 5094 H2 TIP3 676 38.795 7.757 -8.720 1.00 0.00 WT1 H ATOM 5095 OH2 TIP3 677 83.764 47.354 0.515 1.00 0.00 WT1 O ATOM 5096 H1 TIP3 677 84.189 46.722 1.095 1.00 0.00 WT1 H ATOM 5097 H2 TIP3 677 83.137 47.810 1.076 1.00 0.00 WT1 H ATOM 5098 OH2 TIP3 679 79.949 40.401 20.473 1.00 0.00 WT1 O ATOM 5099 H1 TIP3 679 79.963 40.596 21.410 1.00 0.00 WT1 H ATOM 5100 H2 TIP3 679 79.774 39.461 20.426 1.00 0.00 WT1 H ATOM 5101 OH2 TIP3 680 69.688 19.075 14.483 1.00 0.00 WT1 O ATOM 5102 H1 TIP3 680 69.794 18.187 14.142 1.00 0.00 WT1 H ATOM 5103 H2 TIP3 680 68.743 19.177 14.597 1.00 0.00 WT1 H ATOM 5104 OH2 TIP3 681 54.292 71.145 40.618 1.00 0.00 WT1 O ATOM 5105 H1 TIP3 681 53.684 70.440 40.395 1.00 0.00 WT1 H ATOM 5106 H2 TIP3 681 53.730 71.856 40.927 1.00 0.00 WT1 H ATOM 5107 OH2 TIP3 682 46.517 87.532 4.753 1.00 0.00 WT1 O ATOM 5108 H1 TIP3 682 46.731 88.094 4.009 1.00 0.00 WT1 H ATOM 5109 H2 TIP3 682 47.279 87.595 5.328 1.00 0.00 WT1 H ATOM 5110 OH2 TIP3 683 21.812 48.381 1.267 1.00 0.00 WT1 O ATOM 5111 H1 TIP3 683 20.963 48.563 0.862 1.00 0.00 WT1 H ATOM 5112 H2 TIP3 683 21.701 47.526 1.682 1.00 0.00 WT1 H ATOM 5113 OH2 TIP3 684 87.496 10.870 -0.603 1.00 0.00 WT1 O ATOM 5114 H1 TIP3 684 87.444 10.577 -1.513 1.00 0.00 WT1 H ATOM 5115 H2 TIP3 684 86.636 11.251 -0.425 1.00 0.00 WT1 H ATOM 5116 OH2 TIP3 685 85.320 75.733 53.188 1.00 0.00 WT1 O ATOM 5117 H1 TIP3 685 85.670 76.624 53.205 1.00 0.00 WT1 H ATOM 5118 H2 TIP3 685 84.865 75.638 54.025 1.00 0.00 WT1 H ATOM 5119 OH2 TIP3 686 40.608 17.474 14.339 1.00 0.00 WT1 O ATOM 5120 H1 TIP3 686 41.239 17.955 14.874 1.00 0.00 WT1 H ATOM 5121 H2 TIP3 686 41.086 17.263 13.537 1.00 0.00 WT1 H ATOM 5122 OH2 TIP3 687 27.018 37.777 0.596 1.00 0.00 WT1 O ATOM 5123 H1 TIP3 687 27.633 38.158 1.222 1.00 0.00 WT1 H ATOM 5124 H2 TIP3 687 26.605 38.532 0.176 1.00 0.00 WT1 H ATOM 5125 OH2 TIP3 689 27.826 42.950 20.041 1.00 0.00 WT1 O ATOM 5126 H1 TIP3 689 27.794 43.904 20.108 1.00 0.00 WT1 H ATOM 5127 H2 TIP3 689 27.377 42.752 19.220 1.00 0.00 WT1 H ATOM 5128 OH2 TIP3 690 63.347 19.071 -9.045 1.00 0.00 WT1 O ATOM 5129 H1 TIP3 690 63.259 19.962 -9.385 1.00 0.00 WT1 H ATOM 5130 H2 TIP3 690 64.184 19.074 -8.580 1.00 0.00 WT1 H ATOM 5131 OH2 TIP3 692 79.126 40.760 59.417 1.00 0.00 WT1 O ATOM 5132 H1 TIP3 692 79.870 40.334 58.993 1.00 0.00 WT1 H ATOM 5133 H2 TIP3 692 78.490 40.057 59.548 1.00 0.00 WT1 H ATOM 5134 OH2 TIP3 693 67.061 92.708 -3.493 1.00 0.00 WT1 O ATOM 5135 H1 TIP3 693 66.548 93.472 -3.230 1.00 0.00 WT1 H ATOM 5136 H2 TIP3 693 67.120 92.174 -2.700 1.00 0.00 WT1 H ATOM 5137 OH2 TIP3 694 58.504 59.217 42.871 1.00 0.00 WT1 O ATOM 5138 H1 TIP3 694 58.718 58.544 42.225 1.00 0.00 WT1 H ATOM 5139 H2 TIP3 694 57.571 59.388 42.741 1.00 0.00 WT1 H ATOM 5140 OH2 TIP3 695 50.516 9.994 53.830 1.00 0.00 WT1 O ATOM 5141 H1 TIP3 695 49.627 10.065 54.178 1.00 0.00 WT1 H ATOM 5142 H2 TIP3 695 50.420 9.473 53.033 1.00 0.00 WT1 H ATOM 5143 OH2 TIP3 696 54.965 56.981 -17.997 1.00 0.00 WT1 O ATOM 5144 H1 TIP3 696 54.648 57.051 -17.096 1.00 0.00 WT1 H ATOM 5145 H2 TIP3 696 54.597 56.158 -18.318 1.00 0.00 WT1 H ATOM 5146 OH2 TIP3 697 26.789 90.628 15.360 1.00 0.00 WT1 O ATOM 5147 H1 TIP3 697 26.566 89.983 14.689 1.00 0.00 WT1 H ATOM 5148 H2 TIP3 697 26.458 91.457 15.015 1.00 0.00 WT1 H ATOM 5149 OH2 TIP3 698 71.782 32.926 62.828 1.00 0.00 WT1 O ATOM 5150 H1 TIP3 698 71.044 33.169 62.270 1.00 0.00 WT1 H ATOM 5151 H2 TIP3 698 71.934 33.697 63.375 1.00 0.00 WT1 H ATOM 5152 OH2 TIP3 699 23.631 72.791 5.222 1.00 0.00 WT1 O ATOM 5153 H1 TIP3 699 24.436 72.320 5.439 1.00 0.00 WT1 H ATOM 5154 H2 TIP3 699 23.902 73.446 4.580 1.00 0.00 WT1 H ATOM 5155 OH2 TIP3 700 74.539 41.133 -13.308 1.00 0.00 WT1 O ATOM 5156 H1 TIP3 700 75.430 40.790 -13.383 1.00 0.00 WT1 H ATOM 5157 H2 TIP3 700 74.656 42.059 -13.093 1.00 0.00 WT1 H ATOM 5158 OH2 TIP3 701 66.542 58.294 33.301 1.00 0.00 WT1 O ATOM 5159 H1 TIP3 701 66.409 57.957 34.187 1.00 0.00 WT1 H ATOM 5160 H2 TIP3 701 65.669 58.562 33.013 1.00 0.00 WT1 H ATOM 5161 OH2 TIP3 702 41.286 44.567 20.366 1.00 0.00 WT1 O ATOM 5162 H1 TIP3 702 42.148 44.162 20.278 1.00 0.00 WT1 H ATOM 5163 H2 TIP3 702 41.335 45.058 21.187 1.00 0.00 WT1 H ATOM 5164 OH2 TIP3 703 55.187 21.724 9.399 1.00 0.00 WT1 O ATOM 5165 H1 TIP3 703 55.882 21.161 9.739 1.00 0.00 WT1 H ATOM 5166 H2 TIP3 703 54.797 22.122 10.178 1.00 0.00 WT1 H ATOM 5167 OH2 TIP3 704 50.316 17.608 20.184 1.00 0.00 WT1 O ATOM 5168 H1 TIP3 704 49.444 17.489 19.807 1.00 0.00 WT1 H ATOM 5169 H2 TIP3 704 50.360 18.541 20.396 1.00 0.00 WT1 H ATOM 5170 OH2 TIP3 705 46.367 41.682 31.141 1.00 0.00 WT1 O ATOM 5171 H1 TIP3 705 46.425 41.221 30.304 1.00 0.00 WT1 H ATOM 5172 H2 TIP3 705 46.321 42.608 30.902 1.00 0.00 WT1 H ATOM 5173 OH2 TIP3 706 44.507 21.611 -16.362 1.00 0.00 WT1 O ATOM 5174 H1 TIP3 706 43.971 21.004 -15.852 1.00 0.00 WT1 H ATOM 5175 H2 TIP3 706 43.878 22.106 -16.886 1.00 0.00 WT1 H ATOM 5176 OH2 TIP3 707 83.246 78.733 -5.675 1.00 0.00 WT1 O ATOM 5177 H1 TIP3 707 83.571 78.262 -4.908 1.00 0.00 WT1 H ATOM 5178 H2 TIP3 707 82.655 79.396 -5.317 1.00 0.00 WT1 H ATOM 5179 OH2 TIP3 708 64.194 61.982 -1.261 1.00 0.00 WT1 O ATOM 5180 H1 TIP3 708 64.680 62.767 -1.007 1.00 0.00 WT1 H ATOM 5181 H2 TIP3 708 64.786 61.257 -1.058 1.00 0.00 WT1 H ATOM 5182 OH2 TIP3 709 46.300 94.085 -1.244 1.00 0.00 WT1 O ATOM 5183 H1 TIP3 709 45.712 94.292 -0.518 1.00 0.00 WT1 H ATOM 5184 H2 TIP3 709 47.175 94.274 -0.905 1.00 0.00 WT1 H ATOM 5185 OH2 TIP3 710 64.322 22.610 -7.381 1.00 0.00 WT1 O ATOM 5186 H1 TIP3 710 64.034 22.588 -6.469 1.00 0.00 WT1 H ATOM 5187 H2 TIP3 710 65.273 22.511 -7.336 1.00 0.00 WT1 H ATOM 5188 OH2 TIP3 711 84.903 27.982 1.729 1.00 0.00 WT1 O ATOM 5189 H1 TIP3 711 84.603 27.086 1.879 1.00 0.00 WT1 H ATOM 5190 H2 TIP3 711 84.948 28.369 2.603 1.00 0.00 WT1 H ATOM 5191 OH2 TIP3 712 73.123 38.304 54.274 1.00 0.00 WT1 O ATOM 5192 H1 TIP3 712 72.287 38.718 54.489 1.00 0.00 WT1 H ATOM 5193 H2 TIP3 712 72.883 37.461 53.890 1.00 0.00 WT1 H ATOM 5194 OH2 TIP3 713 62.347 16.724 18.056 1.00 0.00 WT1 O ATOM 5195 H1 TIP3 713 63.054 16.094 18.196 1.00 0.00 WT1 H ATOM 5196 H2 TIP3 713 62.307 17.224 18.871 1.00 0.00 WT1 H ATOM 5197 OH2 TIP3 714 54.511 47.271 47.117 1.00 0.00 WT1 O ATOM 5198 H1 TIP3 714 55.302 46.744 47.000 1.00 0.00 WT1 H ATOM 5199 H2 TIP3 714 54.834 48.164 47.240 1.00 0.00 WT1 H ATOM 5200 OH2 TIP3 715 65.409 47.185 38.627 1.00 0.00 WT1 O ATOM 5201 H1 TIP3 715 64.516 47.317 38.944 1.00 0.00 WT1 H ATOM 5202 H2 TIP3 715 65.364 47.382 37.691 1.00 0.00 WT1 H ATOM 5203 OH2 TIP3 716 73.895 3.586 60.885 1.00 0.00 WT1 O ATOM 5204 H1 TIP3 716 74.009 3.175 60.029 1.00 0.00 WT1 H ATOM 5205 H2 TIP3 716 73.034 4.000 60.840 1.00 0.00 WT1 H ATOM 5206 OH2 TIP3 717 48.485 42.462 39.454 1.00 0.00 WT1 O ATOM 5207 H1 TIP3 717 47.688 42.832 39.832 1.00 0.00 WT1 H ATOM 5208 H2 TIP3 717 48.658 43.001 38.683 1.00 0.00 WT1 H ATOM 5209 OH2 TIP3 718 56.745 29.832 31.747 1.00 0.00 WT1 O ATOM 5210 H1 TIP3 718 56.816 30.043 30.816 1.00 0.00 WT1 H ATOM 5211 H2 TIP3 718 56.067 29.158 31.790 1.00 0.00 WT1 H ATOM 5212 OH2 TIP3 719 74.381 86.378 53.034 1.00 0.00 WT1 O ATOM 5213 H1 TIP3 719 74.866 85.554 53.000 1.00 0.00 WT1 H ATOM 5214 H2 TIP3 719 73.626 86.236 52.463 1.00 0.00 WT1 H ATOM 5215 OH2 TIP3 720 30.179 91.477 21.659 1.00 0.00 WT1 O ATOM 5216 H1 TIP3 720 29.304 91.653 22.006 1.00 0.00 WT1 H ATOM 5217 H2 TIP3 720 30.726 91.359 22.435 1.00 0.00 WT1 H ATOM 5218 OH2 TIP3 721 60.045 14.361 13.383 1.00 0.00 WT1 O ATOM 5219 H1 TIP3 721 60.597 13.660 13.036 1.00 0.00 WT1 H ATOM 5220 H2 TIP3 721 59.150 14.049 13.250 1.00 0.00 WT1 H ATOM 5221 OH2 TIP3 722 65.855 34.848 -12.316 1.00 0.00 WT1 O ATOM 5222 H1 TIP3 722 66.786 34.857 -12.541 1.00 0.00 WT1 H ATOM 5223 H2 TIP3 722 65.772 35.489 -11.610 1.00 0.00 WT1 H ATOM 5224 OH2 TIP3 723 76.090 33.415 2.583 1.00 0.00 WT1 O ATOM 5225 H1 TIP3 723 77.006 33.266 2.817 1.00 0.00 WT1 H ATOM 5226 H2 TIP3 723 75.622 33.382 3.418 1.00 0.00 WT1 H ATOM 5227 OH2 TIP3 724 42.218 35.400 11.285 1.00 0.00 WT1 O ATOM 5228 H1 TIP3 724 41.645 35.998 11.765 1.00 0.00 WT1 H ATOM 5229 H2 TIP3 724 43.093 35.574 11.634 1.00 0.00 WT1 H ATOM 5230 OH2 TIP3 725 85.392 94.371 0.120 1.00 0.00 WT1 O ATOM 5231 H1 TIP3 725 85.713 93.667 0.683 1.00 0.00 WT1 H ATOM 5232 H2 TIP3 725 84.878 93.925 -0.553 1.00 0.00 WT1 H ATOM 5233 OH2 TIP3 726 35.548 64.909 20.919 1.00 0.00 WT1 O ATOM 5234 H1 TIP3 726 36.003 65.737 21.077 1.00 0.00 WT1 H ATOM 5235 H2 TIP3 726 36.238 64.304 20.647 1.00 0.00 WT1 H ATOM 5236 OH2 TIP3 728 38.076 82.281 57.336 1.00 0.00 WT1 O ATOM 5237 H1 TIP3 728 37.454 83.000 57.228 1.00 0.00 WT1 H ATOM 5238 H2 TIP3 728 38.927 82.711 57.419 1.00 0.00 WT1 H ATOM 5239 OH2 TIP3 729 48.723 22.478 37.540 1.00 0.00 WT1 O ATOM 5240 H1 TIP3 729 49.065 21.760 37.007 1.00 0.00 WT1 H ATOM 5241 H2 TIP3 729 48.871 23.262 37.010 1.00 0.00 WT1 H ATOM 5242 OH2 TIP3 730 53.996 85.295 58.704 1.00 0.00 WT1 O ATOM 5243 H1 TIP3 730 54.522 86.034 59.010 1.00 0.00 WT1 H ATOM 5244 H2 TIP3 730 53.247 85.272 59.299 1.00 0.00 WT1 H ATOM 5245 OH2 TIP3 731 85.661 28.737 64.977 1.00 0.00 WT1 O ATOM 5246 H1 TIP3 731 86.392 28.988 64.413 1.00 0.00 WT1 H ATOM 5247 H2 TIP3 731 85.079 29.496 64.967 1.00 0.00 WT1 H ATOM 5248 OH2 TIP3 732 27.002 45.811 -8.851 1.00 0.00 WT1 O ATOM 5249 H1 TIP3 732 26.767 46.738 -8.803 1.00 0.00 WT1 H ATOM 5250 H2 TIP3 732 26.164 45.355 -8.922 1.00 0.00 WT1 H ATOM 5251 OH2 TIP3 733 84.433 52.025 -13.735 1.00 0.00 WT1 O ATOM 5252 H1 TIP3 733 84.741 52.625 -14.415 1.00 0.00 WT1 H ATOM 5253 H2 TIP3 733 83.876 51.401 -14.201 1.00 0.00 WT1 H ATOM 5254 OH2 TIP3 734 35.811 46.728 -7.250 1.00 0.00 WT1 O ATOM 5255 H1 TIP3 734 35.079 46.475 -6.688 1.00 0.00 WT1 H ATOM 5256 H2 TIP3 734 35.398 47.085 -8.036 1.00 0.00 WT1 H ATOM 5257 OH2 TIP3 735 90.889 37.157 43.458 1.00 0.00 WT1 O ATOM 5258 H1 TIP3 735 89.982 37.080 43.755 1.00 0.00 WT1 H ATOM 5259 H2 TIP3 735 90.993 38.084 43.242 1.00 0.00 WT1 H ATOM 5260 OH2 TIP3 736 70.257 36.314 25.422 1.00 0.00 WT1 O ATOM 5261 H1 TIP3 736 70.922 36.596 24.794 1.00 0.00 WT1 H ATOM 5262 H2 TIP3 736 69.784 37.115 25.647 1.00 0.00 WT1 H ATOM 5263 OH2 TIP3 737 82.939 56.150 19.218 1.00 0.00 WT1 O ATOM 5264 H1 TIP3 737 82.539 56.428 20.042 1.00 0.00 WT1 H ATOM 5265 H2 TIP3 737 82.903 55.194 19.246 1.00 0.00 WT1 H ATOM 5266 OH2 TIP3 738 76.554 74.772 34.410 1.00 0.00 WT1 O ATOM 5267 H1 TIP3 738 77.046 75.298 35.041 1.00 0.00 WT1 H ATOM 5268 H2 TIP3 738 75.889 75.369 34.068 1.00 0.00 WT1 H ATOM 5269 OH2 TIP3 739 25.788 24.609 40.838 1.00 0.00 WT1 O ATOM 5270 H1 TIP3 739 26.026 25.422 41.283 1.00 0.00 WT1 H ATOM 5271 H2 TIP3 739 25.101 24.865 40.222 1.00 0.00 WT1 H ATOM 5272 OH2 TIP3 740 68.676 41.208 10.673 1.00 0.00 WT1 O ATOM 5273 H1 TIP3 740 68.763 40.567 11.379 1.00 0.00 WT1 H ATOM 5274 H2 TIP3 740 67.878 41.693 10.886 1.00 0.00 WT1 H ATOM 5275 OH2 TIP3 741 55.353 56.351 14.513 1.00 0.00 WT1 O ATOM 5276 H1 TIP3 741 55.019 55.542 14.901 1.00 0.00 WT1 H ATOM 5277 H2 TIP3 741 55.032 57.044 15.091 1.00 0.00 WT1 H ATOM 5278 OH2 TIP3 742 64.622 71.517 23.502 1.00 0.00 WT1 O ATOM 5279 H1 TIP3 742 63.994 70.859 23.799 1.00 0.00 WT1 H ATOM 5280 H2 TIP3 742 64.090 72.291 23.319 1.00 0.00 WT1 H ATOM 5281 OH2 TIP3 743 25.898 94.279 4.451 1.00 0.00 WT1 O ATOM 5282 H1 TIP3 743 26.283 93.964 3.633 1.00 0.00 WT1 H ATOM 5283 H2 TIP3 743 26.647 94.564 4.974 1.00 0.00 WT1 H ATOM 5284 OH2 TIP3 744 79.666 49.642 -6.102 1.00 0.00 WT1 O ATOM 5285 H1 TIP3 744 78.992 49.180 -6.599 1.00 0.00 WT1 H ATOM 5286 H2 TIP3 744 79.323 50.530 -6.000 1.00 0.00 WT1 H ATOM 5287 OH2 TIP3 745 72.237 31.172 65.428 1.00 0.00 WT1 O ATOM 5288 H1 TIP3 745 72.729 31.518 64.684 1.00 0.00 WT1 H ATOM 5289 H2 TIP3 745 72.863 31.176 66.152 1.00 0.00 WT1 H ATOM 5290 OH2 TIP3 746 73.312 7.817 -17.208 1.00 0.00 WT1 O ATOM 5291 H1 TIP3 746 73.140 8.358 -16.437 1.00 0.00 WT1 H ATOM 5292 H2 TIP3 746 74.263 7.712 -17.220 1.00 0.00 WT1 H ATOM 5293 OH2 TIP3 747 59.006 79.046 54.523 1.00 0.00 WT1 O ATOM 5294 H1 TIP3 747 58.478 78.336 54.157 1.00 0.00 WT1 H ATOM 5295 H2 TIP3 747 58.756 79.817 54.014 1.00 0.00 WT1 H ATOM 5296 OH2 TIP3 748 88.920 24.385 59.167 1.00 0.00 WT1 O ATOM 5297 H1 TIP3 748 88.397 23.631 59.439 1.00 0.00 WT1 H ATOM 5298 H2 TIP3 748 88.372 24.836 58.524 1.00 0.00 WT1 H ATOM 5299 OH2 TIP3 749 44.996 63.422 12.723 1.00 0.00 WT1 O ATOM 5300 H1 TIP3 749 45.825 63.647 13.147 1.00 0.00 WT1 H ATOM 5301 H2 TIP3 749 45.079 63.768 11.835 1.00 0.00 WT1 H ATOM 5302 OH2 TIP3 750 89.850 64.398 -6.003 1.00 0.00 WT1 O ATOM 5303 H1 TIP3 750 90.513 64.822 -6.548 1.00 0.00 WT1 H ATOM 5304 H2 TIP3 750 89.031 64.833 -6.239 1.00 0.00 WT1 H ATOM 5305 OH2 TIP3 751 51.691 54.114 1.742 1.00 0.00 WT1 O ATOM 5306 H1 TIP3 751 52.213 54.759 2.220 1.00 0.00 WT1 H ATOM 5307 H2 TIP3 751 51.889 53.281 2.169 1.00 0.00 WT1 H ATOM 5308 OH2 TIP3 752 49.251 65.024 17.307 1.00 0.00 WT1 O ATOM 5309 H1 TIP3 752 48.831 65.601 16.669 1.00 0.00 WT1 H ATOM 5310 H2 TIP3 752 49.697 65.618 17.910 1.00 0.00 WT1 H ATOM 5311 OH2 TIP3 753 86.431 51.943 28.471 1.00 0.00 WT1 O ATOM 5312 H1 TIP3 753 86.308 51.365 27.718 1.00 0.00 WT1 H ATOM 5313 H2 TIP3 753 86.521 52.817 28.090 1.00 0.00 WT1 H ATOM 5314 OH2 TIP3 754 39.021 31.069 26.982 1.00 0.00 WT1 O ATOM 5315 H1 TIP3 754 38.826 31.704 26.293 1.00 0.00 WT1 H ATOM 5316 H2 TIP3 754 39.331 31.600 27.716 1.00 0.00 WT1 H ATOM 5317 OH2 TIP3 755 48.053 54.725 40.223 1.00 0.00 WT1 O ATOM 5318 H1 TIP3 755 48.086 55.384 39.530 1.00 0.00 WT1 H ATOM 5319 H2 TIP3 755 47.411 55.063 40.847 1.00 0.00 WT1 H ATOM 5320 OH2 TIP3 756 66.832 89.952 24.839 1.00 0.00 WT1 O ATOM 5321 H1 TIP3 756 67.387 89.851 25.612 1.00 0.00 WT1 H ATOM 5322 H2 TIP3 756 66.239 90.670 25.061 1.00 0.00 WT1 H ATOM 5323 OH2 TIP3 757 40.026 55.348 -6.311 1.00 0.00 WT1 O ATOM 5324 H1 TIP3 757 39.525 55.722 -7.035 1.00 0.00 WT1 H ATOM 5325 H2 TIP3 757 40.235 56.097 -5.752 1.00 0.00 WT1 H ATOM 5326 OH2 TIP3 758 84.591 18.238 62.240 1.00 0.00 WT1 O ATOM 5327 H1 TIP3 758 84.770 18.880 62.928 1.00 0.00 WT1 H ATOM 5328 H2 TIP3 758 84.127 17.530 62.688 1.00 0.00 WT1 H ATOM 5329 OH2 TIP3 759 77.217 56.237 55.480 1.00 0.00 WT1 O ATOM 5330 H1 TIP3 759 77.378 56.916 54.825 1.00 0.00 WT1 H ATOM 5331 H2 TIP3 759 77.638 55.455 55.124 1.00 0.00 WT1 H ATOM 5332 OH2 TIP3 760 56.557 50.637 63.274 1.00 0.00 WT1 O ATOM 5333 H1 TIP3 760 56.778 50.904 64.166 1.00 0.00 WT1 H ATOM 5334 H2 TIP3 760 55.755 51.118 63.071 1.00 0.00 WT1 H ATOM 5335 OH2 TIP3 761 30.082 39.233 11.203 1.00 0.00 WT1 O ATOM 5336 H1 TIP3 761 30.198 39.563 10.312 1.00 0.00 WT1 H ATOM 5337 H2 TIP3 761 30.185 40.005 11.759 1.00 0.00 WT1 H ATOM 5338 OH2 TIP3 762 73.772 2.076 -18.995 1.00 0.00 WT1 O ATOM 5339 H1 TIP3 762 74.401 2.765 -19.207 1.00 0.00 WT1 H ATOM 5340 H2 TIP3 762 73.735 2.069 -18.039 1.00 0.00 WT1 H ATOM 5341 OH2 TIP3 763 26.584 86.305 -6.604 1.00 0.00 WT1 O ATOM 5342 H1 TIP3 763 26.798 86.845 -7.365 1.00 0.00 WT1 H ATOM 5343 H2 TIP3 763 27.080 86.696 -5.885 1.00 0.00 WT1 H ATOM 5344 OH2 TIP3 764 76.336 57.150 6.992 1.00 0.00 WT1 O ATOM 5345 H1 TIP3 764 75.880 56.433 6.552 1.00 0.00 WT1 H ATOM 5346 H2 TIP3 764 75.865 57.263 7.817 1.00 0.00 WT1 H ATOM 5347 OH2 TIP3 765 27.270 31.625 0.456 1.00 0.00 WT1 O ATOM 5348 H1 TIP3 765 27.806 32.212 -0.077 1.00 0.00 WT1 H ATOM 5349 H2 TIP3 765 27.513 31.831 1.359 1.00 0.00 WT1 H ATOM 5350 OH2 TIP3 766 40.390 4.851 6.048 1.00 0.00 WT1 O ATOM 5351 H1 TIP3 766 39.742 4.980 6.740 1.00 0.00 WT1 H ATOM 5352 H2 TIP3 766 40.814 4.022 6.267 1.00 0.00 WT1 H ATOM 5353 OH2 TIP3 767 21.211 36.886 -4.287 1.00 0.00 WT1 O ATOM 5354 H1 TIP3 767 21.641 36.365 -3.608 1.00 0.00 WT1 H ATOM 5355 H2 TIP3 767 21.092 37.748 -3.889 1.00 0.00 WT1 H ATOM 5356 OH2 TIP3 768 47.027 82.937 21.705 1.00 0.00 WT1 O ATOM 5357 H1 TIP3 768 47.984 82.962 21.684 1.00 0.00 WT1 H ATOM 5358 H2 TIP3 768 46.811 82.778 22.623 1.00 0.00 WT1 H ATOM 5359 OH2 TIP3 769 70.924 45.355 -18.985 1.00 0.00 WT1 O ATOM 5360 H1 TIP3 769 70.166 45.803 -18.610 1.00 0.00 WT1 H ATOM 5361 H2 TIP3 769 71.632 45.519 -18.363 1.00 0.00 WT1 H ATOM 5362 OH2 TIP3 770 63.509 34.302 -7.635 1.00 0.00 WT1 O ATOM 5363 H1 TIP3 770 64.410 34.582 -7.475 1.00 0.00 WT1 H ATOM 5364 H2 TIP3 770 63.443 33.450 -7.204 1.00 0.00 WT1 H ATOM 5365 OH2 TIP3 771 82.685 39.043 21.911 1.00 0.00 WT1 O ATOM 5366 H1 TIP3 771 82.279 38.694 21.117 1.00 0.00 WT1 H ATOM 5367 H2 TIP3 771 83.087 38.282 22.330 1.00 0.00 WT1 H ATOM 5368 OH2 TIP3 772 44.604 39.857 47.100 1.00 0.00 WT1 O ATOM 5369 H1 TIP3 772 45.498 39.774 47.433 1.00 0.00 WT1 H ATOM 5370 H2 TIP3 772 44.154 40.395 47.751 1.00 0.00 WT1 H ATOM 5371 OH2 TIP3 773 79.117 61.424 46.093 1.00 0.00 WT1 O ATOM 5372 H1 TIP3 773 78.860 61.927 46.866 1.00 0.00 WT1 H ATOM 5373 H2 TIP3 773 79.861 61.904 45.730 1.00 0.00 WT1 H ATOM 5374 OH2 TIP3 774 39.402 65.164 -11.637 1.00 0.00 WT1 O ATOM 5375 H1 TIP3 774 38.826 64.466 -11.323 1.00 0.00 WT1 H ATOM 5376 H2 TIP3 774 40.286 64.823 -11.504 1.00 0.00 WT1 H ATOM 5377 OH2 TIP3 775 73.981 19.719 11.300 1.00 0.00 WT1 O ATOM 5378 H1 TIP3 775 73.485 19.316 12.012 1.00 0.00 WT1 H ATOM 5379 H2 TIP3 775 73.423 20.433 10.992 1.00 0.00 WT1 H ATOM 5380 OH2 TIP3 776 51.491 49.928 -3.197 1.00 0.00 WT1 O ATOM 5381 H1 TIP3 776 51.132 49.045 -3.105 1.00 0.00 WT1 H ATOM 5382 H2 TIP3 776 50.809 50.502 -2.847 1.00 0.00 WT1 H ATOM 5383 OH2 TIP3 777 57.736 92.856 33.194 1.00 0.00 WT1 O ATOM 5384 H1 TIP3 777 56.958 93.072 33.709 1.00 0.00 WT1 H ATOM 5385 H2 TIP3 777 57.777 91.900 33.211 1.00 0.00 WT1 H ATOM 5386 OH2 TIP3 778 79.069 7.812 39.761 1.00 0.00 WT1 O ATOM 5387 H1 TIP3 778 79.221 8.705 40.069 1.00 0.00 WT1 H ATOM 5388 H2 TIP3 778 78.183 7.603 40.055 1.00 0.00 WT1 H ATOM 5389 OH2 TIP3 780 65.762 27.489 -19.031 1.00 0.00 WT1 O ATOM 5390 H1 TIP3 780 66.472 27.557 -19.669 1.00 0.00 WT1 H ATOM 5391 H2 TIP3 780 65.614 28.389 -18.739 1.00 0.00 WT1 H ATOM 5392 OH2 TIP3 781 55.645 69.443 10.255 1.00 0.00 WT1 O ATOM 5393 H1 TIP3 781 56.490 69.753 10.582 1.00 0.00 WT1 H ATOM 5394 H2 TIP3 781 55.330 68.847 10.934 1.00 0.00 WT1 H ATOM 5395 OH2 TIP3 782 71.715 22.414 20.465 1.00 0.00 WT1 O ATOM 5396 H1 TIP3 782 71.344 21.544 20.616 1.00 0.00 WT1 H ATOM 5397 H2 TIP3 782 71.405 22.658 19.593 1.00 0.00 WT1 H ATOM 5398 OH2 TIP3 783 57.856 63.309 -16.873 1.00 0.00 WT1 O ATOM 5399 H1 TIP3 783 57.485 63.303 -17.755 1.00 0.00 WT1 H ATOM 5400 H2 TIP3 783 57.230 63.812 -16.352 1.00 0.00 WT1 H ATOM 5401 OH2 TIP3 784 69.647 53.988 20.423 1.00 0.00 WT1 O ATOM 5402 H1 TIP3 784 69.269 53.553 19.659 1.00 0.00 WT1 H ATOM 5403 H2 TIP3 784 69.307 54.882 20.382 1.00 0.00 WT1 H ATOM 5404 OH2 TIP3 785 34.894 81.142 -9.204 1.00 0.00 WT1 O ATOM 5405 H1 TIP3 785 34.519 81.180 -8.324 1.00 0.00 WT1 H ATOM 5406 H2 TIP3 785 34.136 81.104 -9.787 1.00 0.00 WT1 H ATOM 5407 OH2 TIP3 786 54.988 92.673 35.197 1.00 0.00 WT1 O ATOM 5408 H1 TIP3 786 55.547 92.051 35.663 1.00 0.00 WT1 H ATOM 5409 H2 TIP3 786 54.265 92.142 34.864 1.00 0.00 WT1 H ATOM 5410 OH2 TIP3 787 89.075 30.723 13.647 1.00 0.00 WT1 O ATOM 5411 H1 TIP3 787 88.969 31.198 12.823 1.00 0.00 WT1 H ATOM 5412 H2 TIP3 787 89.888 31.065 14.019 1.00 0.00 WT1 H ATOM 5413 OH2 TIP3 788 75.482 55.571 -1.401 1.00 0.00 WT1 O ATOM 5414 H1 TIP3 788 76.088 56.287 -1.214 1.00 0.00 WT1 H ATOM 5415 H2 TIP3 788 75.447 55.067 -0.588 1.00 0.00 WT1 H ATOM 5416 OH2 TIP3 789 69.600 50.504 4.773 1.00 0.00 WT1 O ATOM 5417 H1 TIP3 789 69.606 49.892 5.509 1.00 0.00 WT1 H ATOM 5418 H2 TIP3 789 69.189 51.295 5.122 1.00 0.00 WT1 H ATOM 5419 OH2 TIP3 790 77.370 28.360 33.265 1.00 0.00 WT1 O ATOM 5420 H1 TIP3 790 78.219 28.703 32.984 1.00 0.00 WT1 H ATOM 5421 H2 TIP3 790 76.878 29.134 33.540 1.00 0.00 WT1 H ATOM 5422 OH2 TIP3 791 70.535 56.941 36.827 1.00 0.00 WT1 O ATOM 5423 H1 TIP3 791 70.378 56.530 35.977 1.00 0.00 WT1 H ATOM 5424 H2 TIP3 791 69.674 57.252 37.106 1.00 0.00 WT1 H ATOM 5425 OH2 TIP3 792 85.226 73.335 23.451 1.00 0.00 WT1 O ATOM 5426 H1 TIP3 792 85.676 73.161 22.624 1.00 0.00 WT1 H ATOM 5427 H2 TIP3 792 85.916 73.288 24.114 1.00 0.00 WT1 H ATOM 5428 OH2 TIP3 793 60.886 20.699 44.551 1.00 0.00 WT1 O ATOM 5429 H1 TIP3 793 60.628 20.827 43.639 1.00 0.00 WT1 H ATOM 5430 H2 TIP3 793 60.601 21.497 44.996 1.00 0.00 WT1 H ATOM 5431 OH2 TIP3 794 51.212 23.260 -0.582 1.00 0.00 WT1 O ATOM 5432 H1 TIP3 794 51.604 22.666 0.057 1.00 0.00 WT1 H ATOM 5433 H2 TIP3 794 51.339 24.132 -0.209 1.00 0.00 WT1 H ATOM 5434 OH2 TIP3 795 34.222 28.622 39.557 1.00 0.00 WT1 O ATOM 5435 H1 TIP3 795 34.715 28.138 40.220 1.00 0.00 WT1 H ATOM 5436 H2 TIP3 795 34.504 29.531 39.664 1.00 0.00 WT1 H ATOM 5437 OH2 TIP3 796 76.138 41.945 43.761 1.00 0.00 WT1 O ATOM 5438 H1 TIP3 796 76.694 41.561 44.438 1.00 0.00 WT1 H ATOM 5439 H2 TIP3 796 76.328 42.883 43.798 1.00 0.00 WT1 H ATOM 5440 OH2 TIP3 797 41.239 79.805 3.861 1.00 0.00 WT1 O ATOM 5441 H1 TIP3 797 41.473 80.396 3.146 1.00 0.00 WT1 H ATOM 5442 H2 TIP3 797 40.632 79.179 3.466 1.00 0.00 WT1 H ATOM 5443 OH2 TIP3 798 65.311 23.656 38.134 1.00 0.00 WT1 O ATOM 5444 H1 TIP3 798 66.014 23.421 37.528 1.00 0.00 WT1 H ATOM 5445 H2 TIP3 798 65.140 22.852 38.626 1.00 0.00 WT1 H ATOM 5446 OH2 TIP3 800 42.025 63.178 56.269 1.00 0.00 WT1 O ATOM 5447 H1 TIP3 800 42.357 63.104 55.374 1.00 0.00 WT1 H ATOM 5448 H2 TIP3 800 41.201 62.692 56.260 1.00 0.00 WT1 H ATOM 5449 OH2 TIP3 801 22.197 43.286 9.139 1.00 0.00 WT1 O ATOM 5450 H1 TIP3 801 22.510 43.297 10.044 1.00 0.00 WT1 H ATOM 5451 H2 TIP3 801 22.970 43.066 8.620 1.00 0.00 WT1 H ATOM 5452 OH2 TIP3 802 48.538 89.050 51.205 1.00 0.00 WT1 O ATOM 5453 H1 TIP3 802 48.357 88.544 51.997 1.00 0.00 WT1 H ATOM 5454 H2 TIP3 802 48.980 88.433 50.622 1.00 0.00 WT1 H ATOM 5455 OH2 TIP3 803 41.851 65.484 -16.864 1.00 0.00 WT1 O ATOM 5456 H1 TIP3 803 42.438 66.131 -17.255 1.00 0.00 WT1 H ATOM 5457 H2 TIP3 803 40.978 65.868 -16.951 1.00 0.00 WT1 H ATOM 5458 OH2 TIP3 804 86.788 40.602 6.228 1.00 0.00 WT1 O ATOM 5459 H1 TIP3 804 86.210 40.702 5.472 1.00 0.00 WT1 H ATOM 5460 H2 TIP3 804 87.196 39.744 6.107 1.00 0.00 WT1 H ATOM 5461 OH2 TIP3 805 22.758 6.642 36.120 1.00 0.00 WT1 O ATOM 5462 H1 TIP3 805 23.002 6.109 35.364 1.00 0.00 WT1 H ATOM 5463 H2 TIP3 805 22.186 6.075 36.639 1.00 0.00 WT1 H ATOM 5464 OH2 TIP3 806 78.862 24.984 55.711 1.00 0.00 WT1 O ATOM 5465 H1 TIP3 806 78.949 25.117 54.767 1.00 0.00 WT1 H ATOM 5466 H2 TIP3 806 77.956 24.699 55.830 1.00 0.00 WT1 H ATOM 5467 OH2 TIP3 807 53.213 40.468 -0.889 1.00 0.00 WT1 O ATOM 5468 H1 TIP3 807 53.635 39.750 -0.417 1.00 0.00 WT1 H ATOM 5469 H2 TIP3 807 53.189 40.175 -1.800 1.00 0.00 WT1 H ATOM 5470 OH2 TIP3 808 86.241 9.933 4.259 1.00 0.00 WT1 O ATOM 5471 H1 TIP3 808 85.313 10.074 4.068 1.00 0.00 WT1 H ATOM 5472 H2 TIP3 808 86.588 9.515 3.471 1.00 0.00 WT1 H ATOM 5473 OH2 TIP3 809 81.917 66.515 -0.134 1.00 0.00 WT1 O ATOM 5474 H1 TIP3 809 81.466 66.093 0.598 1.00 0.00 WT1 H ATOM 5475 H2 TIP3 809 82.096 65.803 -0.748 1.00 0.00 WT1 H ATOM 5476 OH2 TIP3 810 52.486 31.582 12.079 1.00 0.00 WT1 O ATOM 5477 H1 TIP3 810 51.818 31.123 11.571 1.00 0.00 WT1 H ATOM 5478 H2 TIP3 810 51.992 32.109 12.706 1.00 0.00 WT1 H ATOM 5479 OH2 TIP3 812 82.099 53.684 -6.108 1.00 0.00 WT1 O ATOM 5480 H1 TIP3 812 82.129 52.735 -5.985 1.00 0.00 WT1 H ATOM 5481 H2 TIP3 812 82.894 54.006 -5.683 1.00 0.00 WT1 H ATOM 5482 OH2 TIP3 813 41.250 35.159 49.495 1.00 0.00 WT1 O ATOM 5483 H1 TIP3 813 40.384 34.847 49.231 1.00 0.00 WT1 H ATOM 5484 H2 TIP3 813 41.861 34.546 49.086 1.00 0.00 WT1 H ATOM 5485 OH2 TIP3 814 28.712 22.266 20.337 1.00 0.00 WT1 O ATOM 5486 H1 TIP3 814 28.384 21.367 20.369 1.00 0.00 WT1 H ATOM 5487 H2 TIP3 814 27.976 22.778 20.000 1.00 0.00 WT1 H ATOM 5488 OH2 TIP3 815 73.579 54.972 51.678 1.00 0.00 WT1 O ATOM 5489 H1 TIP3 815 72.897 55.575 51.382 1.00 0.00 WT1 H ATOM 5490 H2 TIP3 815 73.100 54.244 52.074 1.00 0.00 WT1 H ATOM 5491 OH2 TIP3 816 42.314 28.825 -1.061 1.00 0.00 WT1 O ATOM 5492 H1 TIP3 816 43.105 28.773 -1.597 1.00 0.00 WT1 H ATOM 5493 H2 TIP3 816 42.610 28.610 -0.176 1.00 0.00 WT1 H ATOM 5494 OH2 TIP3 817 36.199 95.346 66.227 1.00 0.00 WT1 O ATOM 5495 H1 TIP3 817 35.453 95.104 66.776 1.00 0.00 WT1 H ATOM 5496 H2 TIP3 817 36.718 95.935 66.774 1.00 0.00 WT1 H ATOM 5497 OH2 TIP3 818 34.536 64.435 45.244 1.00 0.00 WT1 O ATOM 5498 H1 TIP3 818 35.482 64.361 45.371 1.00 0.00 WT1 H ATOM 5499 H2 TIP3 818 34.436 64.695 44.328 1.00 0.00 WT1 H ATOM 5500 OH2 TIP3 819 84.777 61.620 14.815 1.00 0.00 WT1 O ATOM 5501 H1 TIP3 819 85.185 61.230 14.042 1.00 0.00 WT1 H ATOM 5502 H2 TIP3 819 84.134 60.970 15.100 1.00 0.00 WT1 H ATOM 5503 OH2 TIP3 820 25.914 41.608 -13.142 1.00 0.00 WT1 O ATOM 5504 H1 TIP3 820 25.214 42.233 -12.958 1.00 0.00 WT1 H ATOM 5505 H2 TIP3 820 26.013 41.112 -12.329 1.00 0.00 WT1 H ATOM 5506 OH2 TIP3 821 74.214 2.323 27.657 1.00 0.00 WT1 O ATOM 5507 H1 TIP3 821 74.702 3.051 27.271 1.00 0.00 WT1 H ATOM 5508 H2 TIP3 821 74.391 2.387 28.595 1.00 0.00 WT1 H ATOM 5509 OH2 TIP3 822 70.679 80.693 -9.363 1.00 0.00 WT1 O ATOM 5510 H1 TIP3 822 70.804 81.204 -8.563 1.00 0.00 WT1 H ATOM 5511 H2 TIP3 822 69.730 80.622 -9.456 1.00 0.00 WT1 H ATOM 5512 OH2 TIP3 823 28.478 61.005 31.373 1.00 0.00 WT1 O ATOM 5513 H1 TIP3 823 29.119 60.460 30.916 1.00 0.00 WT1 H ATOM 5514 H2 TIP3 823 28.981 61.760 31.680 1.00 0.00 WT1 H ATOM 5515 OH2 TIP3 824 40.800 84.839 10.353 1.00 0.00 WT1 O ATOM 5516 H1 TIP3 824 41.204 84.192 9.774 1.00 0.00 WT1 H ATOM 5517 H2 TIP3 824 41.419 85.569 10.365 1.00 0.00 WT1 H ATOM 5518 OH2 TIP3 825 29.717 26.081 55.950 1.00 0.00 WT1 O ATOM 5519 H1 TIP3 825 29.016 26.644 55.621 1.00 0.00 WT1 H ATOM 5520 H2 TIP3 825 30.202 26.634 56.562 1.00 0.00 WT1 H ATOM 5521 OH2 TIP3 826 44.494 49.298 9.328 1.00 0.00 WT1 O ATOM 5522 H1 TIP3 826 45.415 49.073 9.199 1.00 0.00 WT1 H ATOM 5523 H2 TIP3 826 44.508 50.008 9.969 1.00 0.00 WT1 H ATOM 5524 OH2 TIP3 827 63.802 32.828 -2.567 1.00 0.00 WT1 O ATOM 5525 H1 TIP3 827 63.032 33.393 -2.631 1.00 0.00 WT1 H ATOM 5526 H2 TIP3 827 64.472 33.381 -2.165 1.00 0.00 WT1 H ATOM 5527 OH2 TIP3 828 61.934 90.591 21.757 1.00 0.00 WT1 O ATOM 5528 H1 TIP3 828 62.807 90.816 22.080 1.00 0.00 WT1 H ATOM 5529 H2 TIP3 828 61.909 90.944 20.868 1.00 0.00 WT1 H ATOM 5530 OH2 TIP3 829 49.613 31.537 2.563 1.00 0.00 WT1 O ATOM 5531 H1 TIP3 829 49.098 31.829 3.315 1.00 0.00 WT1 H ATOM 5532 H2 TIP3 829 49.755 30.603 2.717 1.00 0.00 WT1 H ATOM 5533 OH2 TIP3 830 54.895 42.669 -1.327 1.00 0.00 WT1 O ATOM 5534 H1 TIP3 830 54.916 43.115 -0.480 1.00 0.00 WT1 H ATOM 5535 H2 TIP3 830 54.429 41.851 -1.156 1.00 0.00 WT1 H ATOM 5536 OH2 TIP3 831 62.843 1.434 28.399 1.00 0.00 WT1 O ATOM 5537 H1 TIP3 831 62.030 1.260 27.926 1.00 0.00 WT1 H ATOM 5538 H2 TIP3 831 63.109 2.306 28.106 1.00 0.00 WT1 H ATOM 5539 OH2 TIP3 832 61.270 43.638 -5.119 1.00 0.00 WT1 O ATOM 5540 H1 TIP3 832 60.667 43.883 -4.418 1.00 0.00 WT1 H ATOM 5541 H2 TIP3 832 61.953 44.308 -5.094 1.00 0.00 WT1 H ATOM 5542 OH2 TIP3 833 53.266 40.541 35.614 1.00 0.00 WT1 O ATOM 5543 H1 TIP3 833 53.758 40.100 34.921 1.00 0.00 WT1 H ATOM 5544 H2 TIP3 833 52.600 41.049 35.150 1.00 0.00 WT1 H ATOM 5545 OH2 TIP3 834 34.144 15.070 59.247 1.00 0.00 WT1 O ATOM 5546 H1 TIP3 834 33.916 15.949 58.943 1.00 0.00 WT1 H ATOM 5547 H2 TIP3 834 34.024 14.512 58.479 1.00 0.00 WT1 H ATOM 5548 OH2 TIP3 835 81.285 88.432 -13.472 1.00 0.00 WT1 O ATOM 5549 H1 TIP3 835 82.197 88.662 -13.651 1.00 0.00 WT1 H ATOM 5550 H2 TIP3 835 80.977 88.025 -14.282 1.00 0.00 WT1 H ATOM 5551 OH2 TIP3 836 74.157 70.927 42.645 1.00 0.00 WT1 O ATOM 5552 H1 TIP3 836 73.350 70.438 42.486 1.00 0.00 WT1 H ATOM 5553 H2 TIP3 836 74.837 70.417 42.205 1.00 0.00 WT1 H ATOM 5554 OH2 TIP3 837 59.432 63.538 26.877 1.00 0.00 WT1 O ATOM 5555 H1 TIP3 837 58.906 64.112 26.320 1.00 0.00 WT1 H ATOM 5556 H2 TIP3 837 59.021 62.678 26.790 1.00 0.00 WT1 H ATOM 5557 OH2 TIP3 838 57.435 85.115 34.249 1.00 0.00 WT1 O ATOM 5558 H1 TIP3 838 56.694 85.024 33.650 1.00 0.00 WT1 H ATOM 5559 H2 TIP3 838 58.132 85.491 33.712 1.00 0.00 WT1 H ATOM 5560 OH2 TIP3 839 68.120 30.506 59.655 1.00 0.00 WT1 O ATOM 5561 H1 TIP3 839 67.274 30.872 59.397 1.00 0.00 WT1 H ATOM 5562 H2 TIP3 839 68.242 30.797 60.559 1.00 0.00 WT1 H ATOM 5563 OH2 TIP3 840 42.654 36.058 -17.297 1.00 0.00 WT1 O ATOM 5564 H1 TIP3 840 43.007 36.477 -16.512 1.00 0.00 WT1 H ATOM 5565 H2 TIP3 840 43.391 35.563 -17.656 1.00 0.00 WT1 H ATOM 5566 OH2 TIP3 841 54.506 3.029 51.382 1.00 0.00 WT1 O ATOM 5567 H1 TIP3 841 53.657 3.043 51.824 1.00 0.00 WT1 H ATOM 5568 H2 TIP3 841 54.650 2.107 51.169 1.00 0.00 WT1 H ATOM 5569 OH2 TIP3 842 28.803 82.488 65.014 1.00 0.00 WT1 O ATOM 5570 H1 TIP3 842 28.120 83.029 64.618 1.00 0.00 WT1 H ATOM 5571 H2 TIP3 842 29.596 82.707 64.525 1.00 0.00 WT1 H ATOM 5572 OH2 TIP3 843 60.913 84.202 -11.977 1.00 0.00 WT1 O ATOM 5573 H1 TIP3 843 61.799 84.524 -11.809 1.00 0.00 WT1 H ATOM 5574 H2 TIP3 843 60.345 84.944 -11.771 1.00 0.00 WT1 H ATOM 5575 OH2 TIP3 844 37.073 86.412 18.812 1.00 0.00 WT1 O ATOM 5576 H1 TIP3 844 37.362 85.511 18.671 1.00 0.00 WT1 H ATOM 5577 H2 TIP3 844 37.507 86.914 18.121 1.00 0.00 WT1 H ATOM 5578 OH2 TIP3 845 50.769 49.655 50.785 1.00 0.00 WT1 O ATOM 5579 H1 TIP3 845 49.949 49.411 50.356 1.00 0.00 WT1 H ATOM 5580 H2 TIP3 845 51.372 49.835 50.064 1.00 0.00 WT1 H ATOM 5581 OH2 TIP3 846 30.626 57.704 59.101 1.00 0.00 WT1 O ATOM 5582 H1 TIP3 846 30.053 57.710 59.867 1.00 0.00 WT1 H ATOM 5583 H2 TIP3 846 30.173 57.149 58.466 1.00 0.00 WT1 H ATOM 5584 OH2 TIP3 847 67.217 59.761 17.431 1.00 0.00 WT1 O ATOM 5585 H1 TIP3 847 66.508 60.321 17.747 1.00 0.00 WT1 H ATOM 5586 H2 TIP3 847 66.857 58.874 17.470 1.00 0.00 WT1 H ATOM 5587 OH2 TIP3 848 85.339 47.625 8.788 1.00 0.00 WT1 O ATOM 5588 H1 TIP3 848 85.005 48.515 8.678 1.00 0.00 WT1 H ATOM 5589 H2 TIP3 848 84.825 47.099 8.175 1.00 0.00 WT1 H ATOM 5590 OH2 TIP3 849 58.092 2.476 37.166 1.00 0.00 WT1 O ATOM 5591 H1 TIP3 849 58.132 2.482 36.210 1.00 0.00 WT1 H ATOM 5592 H2 TIP3 849 57.730 3.331 37.396 1.00 0.00 WT1 H ATOM 5593 OH2 TIP3 850 72.597 73.183 -15.508 1.00 0.00 WT1 O ATOM 5594 H1 TIP3 850 71.941 72.674 -15.032 1.00 0.00 WT1 H ATOM 5595 H2 TIP3 850 72.232 73.282 -16.387 1.00 0.00 WT1 H ATOM 5596 OH2 TIP3 851 35.130 53.062 21.230 1.00 0.00 WT1 O ATOM 5597 H1 TIP3 851 35.978 53.396 21.522 1.00 0.00 WT1 H ATOM 5598 H2 TIP3 851 35.348 52.388 20.585 1.00 0.00 WT1 H ATOM 5599 OH2 TIP3 852 80.097 23.344 9.031 1.00 0.00 WT1 O ATOM 5600 H1 TIP3 852 80.043 23.617 9.947 1.00 0.00 WT1 H ATOM 5601 H2 TIP3 852 80.347 22.421 9.071 1.00 0.00 WT1 H ATOM 5602 OH2 TIP3 853 67.709 18.958 25.565 1.00 0.00 WT1 O ATOM 5603 H1 TIP3 853 67.705 19.112 24.621 1.00 0.00 WT1 H ATOM 5604 H2 TIP3 853 67.336 18.082 25.667 1.00 0.00 WT1 H ATOM 5605 OH2 TIP3 854 45.744 4.006 64.064 1.00 0.00 WT1 O ATOM 5606 H1 TIP3 854 45.866 3.273 64.667 1.00 0.00 WT1 H ATOM 5607 H2 TIP3 854 45.551 3.594 63.222 1.00 0.00 WT1 H ATOM 5608 OH2 TIP3 855 56.418 69.321 28.180 1.00 0.00 WT1 O ATOM 5609 H1 TIP3 855 55.491 69.334 27.943 1.00 0.00 WT1 H ATOM 5610 H2 TIP3 855 56.850 69.821 27.487 1.00 0.00 WT1 H ATOM 5611 OH2 TIP3 856 49.807 51.718 -1.692 1.00 0.00 WT1 O ATOM 5612 H1 TIP3 856 49.517 51.185 -0.952 1.00 0.00 WT1 H ATOM 5613 H2 TIP3 856 50.068 52.551 -1.299 1.00 0.00 WT1 H ATOM 5614 OH2 TIP3 857 26.552 52.416 23.298 1.00 0.00 WT1 O ATOM 5615 H1 TIP3 857 26.353 51.873 24.062 1.00 0.00 WT1 H ATOM 5616 H2 TIP3 857 27.366 52.052 22.951 1.00 0.00 WT1 H ATOM 5617 OH2 TIP3 858 38.955 84.400 -3.095 1.00 0.00 WT1 O ATOM 5618 H1 TIP3 858 38.306 84.010 -3.681 1.00 0.00 WT1 H ATOM 5619 H2 TIP3 858 38.578 85.243 -2.845 1.00 0.00 WT1 H ATOM 5620 OH2 TIP3 859 85.608 34.066 65.057 1.00 0.00 WT1 O ATOM 5621 H1 TIP3 859 85.577 33.828 64.130 1.00 0.00 WT1 H ATOM 5622 H2 TIP3 859 84.718 34.354 65.261 1.00 0.00 WT1 H ATOM 5623 OH2 TIP3 860 65.768 64.986 2.247 1.00 0.00 WT1 O ATOM 5624 H1 TIP3 860 66.155 65.702 2.751 1.00 0.00 WT1 H ATOM 5625 H2 TIP3 860 64.836 65.197 2.208 1.00 0.00 WT1 H ATOM 5626 OH2 TIP3 861 40.054 75.318 20.874 1.00 0.00 WT1 O ATOM 5627 H1 TIP3 861 40.712 75.022 21.504 1.00 0.00 WT1 H ATOM 5628 H2 TIP3 861 39.921 74.568 20.296 1.00 0.00 WT1 H ATOM 5629 OH2 TIP3 862 39.455 91.428 24.231 1.00 0.00 WT1 O ATOM 5630 H1 TIP3 862 38.922 90.645 24.370 1.00 0.00 WT1 H ATOM 5631 H2 TIP3 862 38.819 92.135 24.122 1.00 0.00 WT1 H ATOM 5632 OH2 TIP3 863 55.655 29.534 62.621 1.00 0.00 WT1 O ATOM 5633 H1 TIP3 863 56.070 28.693 62.814 1.00 0.00 WT1 H ATOM 5634 H2 TIP3 863 55.906 29.725 61.718 1.00 0.00 WT1 H ATOM 5635 OH2 TIP3 864 38.535 36.449 62.849 1.00 0.00 WT1 O ATOM 5636 H1 TIP3 864 38.102 37.298 62.759 1.00 0.00 WT1 H ATOM 5637 H2 TIP3 864 39.184 36.435 62.145 1.00 0.00 WT1 H ATOM 5638 OH2 TIP3 865 44.053 33.146 34.959 1.00 0.00 WT1 O ATOM 5639 H1 TIP3 865 43.942 34.056 34.682 1.00 0.00 WT1 H ATOM 5640 H2 TIP3 865 44.074 33.187 35.915 1.00 0.00 WT1 H ATOM 5641 OH2 TIP3 866 79.742 96.677 29.545 1.00 0.00 WT1 O ATOM 5642 H1 TIP3 866 80.429 96.035 29.363 1.00 0.00 WT1 H ATOM 5643 H2 TIP3 866 79.139 96.223 30.134 1.00 0.00 WT1 H ATOM 5644 OH2 TIP3 867 79.739 1.531 61.389 1.00 0.00 WT1 O ATOM 5645 H1 TIP3 867 80.432 2.188 61.455 1.00 0.00 WT1 H ATOM 5646 H2 TIP3 867 80.144 0.723 61.706 1.00 0.00 WT1 H ATOM 5647 OH2 TIP3 869 56.640 48.859 60.884 1.00 0.00 WT1 O ATOM 5648 H1 TIP3 869 56.465 49.374 61.672 1.00 0.00 WT1 H ATOM 5649 H2 TIP3 869 56.147 49.303 60.194 1.00 0.00 WT1 H ATOM 5650 OH2 TIP3 870 86.911 6.355 -13.958 1.00 0.00 WT1 O ATOM 5651 H1 TIP3 870 87.263 6.775 -13.173 1.00 0.00 WT1 H ATOM 5652 H2 TIP3 870 86.150 6.885 -14.194 1.00 0.00 WT1 H ATOM 5653 OH2 TIP3 871 38.523 67.681 57.978 1.00 0.00 WT1 O ATOM 5654 H1 TIP3 871 39.448 67.754 58.212 1.00 0.00 WT1 H ATOM 5655 H2 TIP3 871 38.478 66.911 57.412 1.00 0.00 WT1 H ATOM 5656 OH2 TIP3 872 48.942 37.380 65.354 1.00 0.00 WT1 O ATOM 5657 H1 TIP3 872 49.121 38.307 65.197 1.00 0.00 WT1 H ATOM 5658 H2 TIP3 872 49.319 37.205 66.216 1.00 0.00 WT1 H ATOM 5659 OH2 TIP3 873 55.368 57.648 10.109 1.00 0.00 WT1 O ATOM 5660 H1 TIP3 873 55.901 58.163 10.714 1.00 0.00 WT1 H ATOM 5661 H2 TIP3 873 55.820 56.806 10.047 1.00 0.00 WT1 H ATOM 5662 OH2 TIP3 874 29.478 68.908 41.174 1.00 0.00 WT1 O ATOM 5663 H1 TIP3 874 30.193 69.173 41.753 1.00 0.00 WT1 H ATOM 5664 H2 TIP3 874 29.661 69.354 40.347 1.00 0.00 WT1 H ATOM 5665 OH2 TIP3 875 36.080 65.251 6.036 1.00 0.00 WT1 O ATOM 5666 H1 TIP3 875 36.406 64.457 5.611 1.00 0.00 WT1 H ATOM 5667 H2 TIP3 875 36.256 65.113 6.967 1.00 0.00 WT1 H ATOM 5668 OH2 TIP3 876 32.683 63.099 41.045 1.00 0.00 WT1 O ATOM 5669 H1 TIP3 876 32.818 63.621 40.254 1.00 0.00 WT1 H ATOM 5670 H2 TIP3 876 33.420 63.327 41.611 1.00 0.00 WT1 H ATOM 5671 OH2 TIP3 877 28.856 33.636 49.005 1.00 0.00 WT1 O ATOM 5672 H1 TIP3 877 28.174 33.073 48.640 1.00 0.00 WT1 H ATOM 5673 H2 TIP3 877 29.102 34.214 48.282 1.00 0.00 WT1 H ATOM 5674 OH2 TIP3 878 56.980 9.431 30.308 1.00 0.00 WT1 O ATOM 5675 H1 TIP3 878 57.119 8.938 31.117 1.00 0.00 WT1 H ATOM 5676 H2 TIP3 878 57.816 9.372 29.845 1.00 0.00 WT1 H ATOM 5677 OH2 TIP3 880 82.173 55.909 25.646 1.00 0.00 WT1 O ATOM 5678 H1 TIP3 880 82.178 56.821 25.934 1.00 0.00 WT1 H ATOM 5679 H2 TIP3 880 81.265 55.742 25.393 1.00 0.00 WT1 H ATOM 5680 OH2 TIP3 881 80.776 48.047 63.638 1.00 0.00 WT1 O ATOM 5681 H1 TIP3 881 81.010 48.761 64.230 1.00 0.00 WT1 H ATOM 5682 H2 TIP3 881 80.088 48.412 63.082 1.00 0.00 WT1 H ATOM 5683 OH2 TIP3 883 52.992 82.987 -4.360 1.00 0.00 WT1 O ATOM 5684 H1 TIP3 883 53.507 82.388 -3.820 1.00 0.00 WT1 H ATOM 5685 H2 TIP3 883 53.303 83.859 -4.116 1.00 0.00 WT1 H ATOM 5686 OH2 TIP3 884 75.959 47.927 59.618 1.00 0.00 WT1 O ATOM 5687 H1 TIP3 884 75.763 48.565 58.932 1.00 0.00 WT1 H ATOM 5688 H2 TIP3 884 75.696 47.085 59.245 1.00 0.00 WT1 H ATOM 5689 OH2 TIP3 885 33.231 4.149 29.086 1.00 0.00 WT1 O ATOM 5690 H1 TIP3 885 32.577 4.313 29.765 1.00 0.00 WT1 H ATOM 5691 H2 TIP3 885 32.719 3.951 28.302 1.00 0.00 WT1 H ATOM 5692 OH2 TIP3 886 62.264 75.057 34.825 1.00 0.00 WT1 O ATOM 5693 H1 TIP3 886 62.524 74.546 34.058 1.00 0.00 WT1 H ATOM 5694 H2 TIP3 886 61.634 74.500 35.281 1.00 0.00 WT1 H ATOM 5695 OH2 TIP3 887 80.033 38.593 10.190 1.00 0.00 WT1 O ATOM 5696 H1 TIP3 887 79.105 38.427 10.025 1.00 0.00 WT1 H ATOM 5697 H2 TIP3 887 80.255 38.014 10.919 1.00 0.00 WT1 H ATOM 5698 OH2 TIP3 889 50.903 9.035 -8.857 1.00 0.00 WT1 O ATOM 5699 H1 TIP3 889 51.262 8.575 -9.616 1.00 0.00 WT1 H ATOM 5700 H2 TIP3 889 50.281 9.661 -9.227 1.00 0.00 WT1 H ATOM 5701 OH2 TIP3 890 51.273 28.056 -1.507 1.00 0.00 WT1 O ATOM 5702 H1 TIP3 890 50.951 28.865 -1.108 1.00 0.00 WT1 H ATOM 5703 H2 TIP3 890 51.111 28.170 -2.443 1.00 0.00 WT1 H ATOM 5704 OH2 TIP3 891 44.217 11.796 21.124 1.00 0.00 WT1 O ATOM 5705 H1 TIP3 891 43.862 12.607 21.486 1.00 0.00 WT1 H ATOM 5706 H2 TIP3 891 43.884 11.767 20.227 1.00 0.00 WT1 H ATOM 5707 OH2 TIP3 893 84.495 36.415 2.730 1.00 0.00 WT1 O ATOM 5708 H1 TIP3 893 84.777 35.669 3.260 1.00 0.00 WT1 H ATOM 5709 H2 TIP3 893 85.112 36.435 1.998 1.00 0.00 WT1 H ATOM 5710 OH2 TIP3 894 73.933 89.632 26.672 1.00 0.00 WT1 O ATOM 5711 H1 TIP3 894 73.463 90.309 26.186 1.00 0.00 WT1 H ATOM 5712 H2 TIP3 894 73.766 89.837 27.592 1.00 0.00 WT1 H ATOM 5713 OH2 TIP3 895 71.015 72.899 8.542 1.00 0.00 WT1 O ATOM 5714 H1 TIP3 895 70.693 72.327 7.845 1.00 0.00 WT1 H ATOM 5715 H2 TIP3 895 70.310 72.907 9.190 1.00 0.00 WT1 H ATOM 5716 OH2 TIP3 896 71.822 95.850 56.707 1.00 0.00 WT1 O ATOM 5717 H1 TIP3 896 71.381 96.064 55.885 1.00 0.00 WT1 H ATOM 5718 H2 TIP3 896 72.334 96.631 56.915 1.00 0.00 WT1 H ATOM 5719 OH2 TIP3 897 31.065 93.067 66.794 1.00 0.00 WT1 O ATOM 5720 H1 TIP3 897 30.678 92.854 65.945 1.00 0.00 WT1 H ATOM 5721 H2 TIP3 897 31.459 93.930 66.669 1.00 0.00 WT1 H ATOM 5722 OH2 TIP3 898 39.742 38.540 -1.866 1.00 0.00 WT1 O ATOM 5723 H1 TIP3 898 39.655 38.496 -0.913 1.00 0.00 WT1 H ATOM 5724 H2 TIP3 898 39.262 39.330 -2.114 1.00 0.00 WT1 H ATOM 5725 OH2 TIP3 899 66.400 87.505 -1.594 1.00 0.00 WT1 O ATOM 5726 H1 TIP3 899 66.476 87.952 -0.751 1.00 0.00 WT1 H ATOM 5727 H2 TIP3 899 66.911 86.703 -1.487 1.00 0.00 WT1 H ATOM 5728 OH2 TIP3 900 51.934 31.427 20.646 1.00 0.00 WT1 O ATOM 5729 H1 TIP3 900 52.489 31.906 20.030 1.00 0.00 WT1 H ATOM 5730 H2 TIP3 900 51.187 32.006 20.796 1.00 0.00 WT1 H ATOM 5731 OH2 TIP3 901 42.493 83.641 59.109 1.00 0.00 WT1 O ATOM 5732 H1 TIP3 901 43.369 83.696 59.493 1.00 0.00 WT1 H ATOM 5733 H2 TIP3 901 42.649 83.519 58.173 1.00 0.00 WT1 H ATOM 5734 OH2 TIP3 902 50.735 88.338 65.616 1.00 0.00 WT1 O ATOM 5735 H1 TIP3 902 49.904 88.813 65.608 1.00 0.00 WT1 H ATOM 5736 H2 TIP3 902 50.522 87.475 65.260 1.00 0.00 WT1 H ATOM 5737 OH2 TIP3 903 24.176 77.259 58.709 1.00 0.00 WT1 O ATOM 5738 H1 TIP3 903 24.557 76.756 57.988 1.00 0.00 WT1 H ATOM 5739 H2 TIP3 903 23.266 77.401 58.448 1.00 0.00 WT1 H ATOM 5740 OH2 TIP3 904 66.963 70.722 21.947 1.00 0.00 WT1 O ATOM 5741 H1 TIP3 904 66.232 70.686 22.564 1.00 0.00 WT1 H ATOM 5742 H2 TIP3 904 67.014 69.838 21.584 1.00 0.00 WT1 H ATOM 5743 OH2 TIP3 905 65.493 60.066 -16.066 1.00 0.00 WT1 O ATOM 5744 H1 TIP3 905 65.966 60.232 -16.882 1.00 0.00 WT1 H ATOM 5745 H2 TIP3 905 66.165 59.765 -15.455 1.00 0.00 WT1 H ATOM 5746 OH2 TIP3 906 38.403 63.991 15.809 1.00 0.00 WT1 O ATOM 5747 H1 TIP3 906 39.224 64.480 15.753 1.00 0.00 WT1 H ATOM 5748 H2 TIP3 906 38.665 63.112 16.081 1.00 0.00 WT1 H ATOM 5749 OH2 TIP3 907 50.254 92.998 -5.571 1.00 0.00 WT1 O ATOM 5750 H1 TIP3 907 49.786 93.788 -5.301 1.00 0.00 WT1 H ATOM 5751 H2 TIP3 907 49.589 92.311 -5.565 1.00 0.00 WT1 H ATOM 5752 OH2 TIP3 908 30.683 0.798 16.972 1.00 0.00 WT1 O ATOM 5753 H1 TIP3 908 31.102 0.160 16.395 1.00 0.00 WT1 H ATOM 5754 H2 TIP3 908 30.945 0.533 17.854 1.00 0.00 WT1 H ATOM 5755 OH2 TIP3 909 50.930 43.617 59.073 1.00 0.00 WT1 O ATOM 5756 H1 TIP3 909 51.738 44.087 59.279 1.00 0.00 WT1 H ATOM 5757 H2 TIP3 909 50.915 43.571 58.117 1.00 0.00 WT1 H ATOM 5758 OH2 TIP3 910 75.932 22.150 -18.838 1.00 0.00 WT1 O ATOM 5759 H1 TIP3 910 76.256 21.273 -18.635 1.00 0.00 WT1 H ATOM 5760 H2 TIP3 910 76.690 22.721 -18.714 1.00 0.00 WT1 H ATOM 5761 OH2 TIP3 911 36.806 5.363 -13.983 1.00 0.00 WT1 O ATOM 5762 H1 TIP3 911 36.905 5.357 -14.935 1.00 0.00 WT1 H ATOM 5763 H2 TIP3 911 37.163 4.521 -13.700 1.00 0.00 WT1 H ATOM 5764 OH2 TIP3 912 44.510 22.783 63.542 1.00 0.00 WT1 O ATOM 5765 H1 TIP3 912 44.797 23.683 63.691 1.00 0.00 WT1 H ATOM 5766 H2 TIP3 912 44.291 22.752 62.611 1.00 0.00 WT1 H ATOM 5767 OH2 TIP3 913 29.775 32.778 -5.018 1.00 0.00 WT1 O ATOM 5768 H1 TIP3 913 30.054 33.056 -4.146 1.00 0.00 WT1 H ATOM 5769 H2 TIP3 913 29.821 33.572 -5.550 1.00 0.00 WT1 H ATOM 5770 OH2 TIP3 914 72.160 64.365 -8.055 1.00 0.00 WT1 O ATOM 5771 H1 TIP3 914 72.267 63.987 -7.182 1.00 0.00 WT1 H ATOM 5772 H2 TIP3 914 71.292 64.769 -8.037 1.00 0.00 WT1 H ATOM 5773 OH2 TIP3 915 50.005 14.671 7.810 1.00 0.00 WT1 O ATOM 5774 H1 TIP3 915 50.260 15.346 8.439 1.00 0.00 WT1 H ATOM 5775 H2 TIP3 915 49.056 14.596 7.910 1.00 0.00 WT1 H ATOM 5776 OH2 TIP3 916 76.015 79.503 7.260 1.00 0.00 WT1 O ATOM 5777 H1 TIP3 916 76.386 79.643 8.131 1.00 0.00 WT1 H ATOM 5778 H2 TIP3 916 76.299 78.622 7.017 1.00 0.00 WT1 H ATOM 5779 OH2 TIP3 917 81.721 9.957 61.967 1.00 0.00 WT1 O ATOM 5780 H1 TIP3 917 81.331 10.340 61.181 1.00 0.00 WT1 H ATOM 5781 H2 TIP3 917 82.020 9.091 61.689 1.00 0.00 WT1 H ATOM 5782 OH2 TIP3 918 32.259 2.738 48.223 1.00 0.00 WT1 O ATOM 5783 H1 TIP3 918 32.514 1.816 48.191 1.00 0.00 WT1 H ATOM 5784 H2 TIP3 918 31.747 2.818 49.027 1.00 0.00 WT1 H ATOM 5785 OH2 TIP3 919 30.340 88.229 51.594 1.00 0.00 WT1 O ATOM 5786 H1 TIP3 919 29.911 89.080 51.683 1.00 0.00 WT1 H ATOM 5787 H2 TIP3 919 30.182 87.974 50.685 1.00 0.00 WT1 H ATOM 5788 OH2 TIP3 921 58.184 57.336 38.125 1.00 0.00 WT1 O ATOM 5789 H1 TIP3 921 57.647 58.096 37.900 1.00 0.00 WT1 H ATOM 5790 H2 TIP3 921 57.970 56.684 37.458 1.00 0.00 WT1 H ATOM 5791 OH2 TIP3 922 61.342 31.097 62.647 1.00 0.00 WT1 O ATOM 5792 H1 TIP3 922 61.005 31.179 63.539 1.00 0.00 WT1 H ATOM 5793 H2 TIP3 922 60.608 31.355 62.089 1.00 0.00 WT1 H ATOM 5794 OH2 TIP3 923 83.130 78.924 62.065 1.00 0.00 WT1 O ATOM 5795 H1 TIP3 923 83.470 79.757 61.738 1.00 0.00 WT1 H ATOM 5796 H2 TIP3 923 83.110 79.030 63.016 1.00 0.00 WT1 H ATOM 5797 OH2 TIP3 924 88.246 58.397 8.859 1.00 0.00 WT1 O ATOM 5798 H1 TIP3 924 88.935 58.918 8.446 1.00 0.00 WT1 H ATOM 5799 H2 TIP3 924 88.655 57.549 9.029 1.00 0.00 WT1 H ATOM 5800 OH2 TIP3 925 34.481 92.281 65.168 1.00 0.00 WT1 O ATOM 5801 H1 TIP3 925 35.382 92.259 64.848 1.00 0.00 WT1 H ATOM 5802 H2 TIP3 925 34.132 91.413 64.964 1.00 0.00 WT1 H ATOM 5803 OH2 TIP3 926 26.306 68.885 56.655 1.00 0.00 WT1 O ATOM 5804 H1 TIP3 926 26.444 68.092 56.137 1.00 0.00 WT1 H ATOM 5805 H2 TIP3 926 26.643 69.592 56.105 1.00 0.00 WT1 H ATOM 5806 OH2 TIP3 927 67.363 4.974 11.709 1.00 0.00 WT1 O ATOM 5807 H1 TIP3 927 68.317 4.912 11.747 1.00 0.00 WT1 H ATOM 5808 H2 TIP3 927 67.193 5.668 11.072 1.00 0.00 WT1 H ATOM 5809 OH2 TIP3 928 38.766 35.781 26.672 1.00 0.00 WT1 O ATOM 5810 H1 TIP3 928 39.457 36.283 27.105 1.00 0.00 WT1 H ATOM 5811 H2 TIP3 928 39.148 35.520 25.835 1.00 0.00 WT1 H ATOM 5812 OH2 TIP3 929 26.040 45.883 5.346 1.00 0.00 WT1 O ATOM 5813 H1 TIP3 929 26.799 46.097 5.888 1.00 0.00 WT1 H ATOM 5814 H2 TIP3 929 25.292 45.964 5.938 1.00 0.00 WT1 H ATOM 5815 OH2 TIP3 930 21.129 1.898 -11.959 1.00 0.00 WT1 O ATOM 5816 H1 TIP3 930 21.418 1.233 -11.334 1.00 0.00 WT1 H ATOM 5817 H2 TIP3 930 21.207 1.475 -12.814 1.00 0.00 WT1 H ATOM 5818 OH2 TIP3 931 58.823 40.654 -1.785 1.00 0.00 WT1 O ATOM 5819 H1 TIP3 931 59.631 41.131 -1.973 1.00 0.00 WT1 H ATOM 5820 H2 TIP3 931 58.277 41.283 -1.313 1.00 0.00 WT1 H ATOM 5821 OH2 TIP3 932 37.278 26.390 -1.698 1.00 0.00 WT1 O ATOM 5822 H1 TIP3 932 36.819 26.742 -0.936 1.00 0.00 WT1 H ATOM 5823 H2 TIP3 932 37.708 25.598 -1.375 1.00 0.00 WT1 H ATOM 5824 OH2 TIP3 933 36.908 45.340 60.125 1.00 0.00 WT1 O ATOM 5825 H1 TIP3 933 36.794 44.400 59.982 1.00 0.00 WT1 H ATOM 5826 H2 TIP3 933 36.668 45.474 61.042 1.00 0.00 WT1 H ATOM 5827 OH2 TIP3 934 40.082 70.032 18.339 1.00 0.00 WT1 O ATOM 5828 H1 TIP3 934 40.598 69.226 18.315 1.00 0.00 WT1 H ATOM 5829 H2 TIP3 934 40.078 70.341 17.433 1.00 0.00 WT1 H ATOM 5830 OH2 TIP3 935 76.805 80.009 56.803 1.00 0.00 WT1 O ATOM 5831 H1 TIP3 935 76.262 79.875 57.580 1.00 0.00 WT1 H ATOM 5832 H2 TIP3 935 76.630 79.246 56.253 1.00 0.00 WT1 H ATOM 5833 OH2 TIP3 936 56.412 30.607 28.956 1.00 0.00 WT1 O ATOM 5834 H1 TIP3 936 56.067 31.172 28.265 1.00 0.00 WT1 H ATOM 5835 H2 TIP3 936 55.838 29.841 28.948 1.00 0.00 WT1 H ATOM 5836 OH2 TIP3 937 72.051 23.956 51.331 1.00 0.00 WT1 O ATOM 5837 H1 TIP3 937 71.283 23.768 50.792 1.00 0.00 WT1 H ATOM 5838 H2 TIP3 937 72.200 24.895 51.220 1.00 0.00 WT1 H ATOM 5839 OH2 TIP3 938 89.028 30.583 -3.753 1.00 0.00 WT1 O ATOM 5840 H1 TIP3 938 89.094 31.305 -3.128 1.00 0.00 WT1 H ATOM 5841 H2 TIP3 938 88.669 30.983 -4.545 1.00 0.00 WT1 H ATOM 5842 OH2 TIP3 939 24.477 75.379 22.054 1.00 0.00 WT1 O ATOM 5843 H1 TIP3 939 23.644 74.950 22.249 1.00 0.00 WT1 H ATOM 5844 H2 TIP3 939 25.123 74.895 22.569 1.00 0.00 WT1 H ATOM 5845 OH2 TIP3 940 33.813 51.316 18.478 1.00 0.00 WT1 O ATOM 5846 H1 TIP3 940 34.675 51.471 18.091 1.00 0.00 WT1 H ATOM 5847 H2 TIP3 940 33.195 51.520 17.777 1.00 0.00 WT1 H ATOM 5848 OH2 TIP3 941 46.103 24.717 39.873 1.00 0.00 WT1 O ATOM 5849 H1 TIP3 941 46.157 24.526 40.809 1.00 0.00 WT1 H ATOM 5850 H2 TIP3 941 45.272 25.180 39.769 1.00 0.00 WT1 H ATOM 5851 OH2 TIP3 942 52.725 70.427 -17.591 1.00 0.00 WT1 O ATOM 5852 H1 TIP3 942 52.582 69.716 -18.216 1.00 0.00 WT1 H ATOM 5853 H2 TIP3 942 52.923 69.984 -16.766 1.00 0.00 WT1 H ATOM 5854 OH2 TIP3 943 69.927 95.292 42.586 1.00 0.00 WT1 O ATOM 5855 H1 TIP3 943 69.289 95.689 43.179 1.00 0.00 WT1 H ATOM 5856 H2 TIP3 943 70.425 96.031 42.238 1.00 0.00 WT1 H ATOM 5857 OH2 TIP3 944 56.899 15.848 53.983 1.00 0.00 WT1 O ATOM 5858 H1 TIP3 944 57.492 15.139 54.233 1.00 0.00 WT1 H ATOM 5859 H2 TIP3 944 57.243 16.618 54.435 1.00 0.00 WT1 H ATOM 5860 OH2 TIP3 945 38.364 75.499 28.057 1.00 0.00 WT1 O ATOM 5861 H1 TIP3 945 38.653 75.368 27.154 1.00 0.00 WT1 H ATOM 5862 H2 TIP3 945 39.168 75.688 28.541 1.00 0.00 WT1 H ATOM 5863 OH2 TIP3 946 52.619 61.918 59.204 1.00 0.00 WT1 O ATOM 5864 H1 TIP3 946 52.328 62.108 58.312 1.00 0.00 WT1 H ATOM 5865 H2 TIP3 946 51.995 61.270 59.528 1.00 0.00 WT1 H ATOM 5866 OH2 TIP3 947 80.035 74.669 -19.808 1.00 0.00 WT1 O ATOM 5867 H1 TIP3 947 79.478 75.336 -20.209 1.00 0.00 WT1 H ATOM 5868 H2 TIP3 947 79.448 73.929 -19.651 1.00 0.00 WT1 H ATOM 5869 OH2 TIP3 948 67.258 54.211 58.117 1.00 0.00 WT1 O ATOM 5870 H1 TIP3 948 66.683 54.637 58.753 1.00 0.00 WT1 H ATOM 5871 H2 TIP3 948 66.707 54.077 57.346 1.00 0.00 WT1 H ATOM 5872 OH2 TIP3 949 64.722 85.896 -5.427 1.00 0.00 WT1 O ATOM 5873 H1 TIP3 949 65.493 85.749 -5.975 1.00 0.00 WT1 H ATOM 5874 H2 TIP3 949 64.422 86.772 -5.666 1.00 0.00 WT1 H ATOM 5875 OH2 TIP3 950 33.369 72.002 18.966 1.00 0.00 WT1 O ATOM 5876 H1 TIP3 950 34.197 71.706 19.343 1.00 0.00 WT1 H ATOM 5877 H2 TIP3 950 32.747 71.306 19.178 1.00 0.00 WT1 H ATOM 5878 OH2 TIP3 951 80.512 45.975 -9.516 1.00 0.00 WT1 O ATOM 5879 H1 TIP3 951 81.167 46.237 -10.163 1.00 0.00 WT1 H ATOM 5880 H2 TIP3 951 80.746 46.465 -8.727 1.00 0.00 WT1 H ATOM 5881 OH2 TIP3 952 38.045 5.533 4.751 1.00 0.00 WT1 O ATOM 5882 H1 TIP3 952 37.673 4.660 4.880 1.00 0.00 WT1 H ATOM 5883 H2 TIP3 952 38.977 5.426 4.938 1.00 0.00 WT1 H ATOM 5884 OH2 TIP3 953 44.252 38.729 29.561 1.00 0.00 WT1 O ATOM 5885 H1 TIP3 953 45.059 38.584 30.055 1.00 0.00 WT1 H ATOM 5886 H2 TIP3 953 44.025 37.867 29.213 1.00 0.00 WT1 H ATOM 5887 OH2 TIP3 954 49.201 46.506 -15.731 1.00 0.00 WT1 O ATOM 5888 H1 TIP3 954 49.464 45.678 -16.132 1.00 0.00 WT1 H ATOM 5889 H2 TIP3 954 49.180 46.322 -14.792 1.00 0.00 WT1 H ATOM 5890 OH2 TIP3 955 67.260 55.722 49.106 1.00 0.00 WT1 O ATOM 5891 H1 TIP3 955 66.396 55.913 49.473 1.00 0.00 WT1 H ATOM 5892 H2 TIP3 955 67.639 55.081 49.708 1.00 0.00 WT1 H ATOM 5893 OH2 TIP3 956 40.398 10.520 41.005 1.00 0.00 WT1 O ATOM 5894 H1 TIP3 956 41.024 10.310 40.311 1.00 0.00 WT1 H ATOM 5895 H2 TIP3 956 39.590 10.739 40.541 1.00 0.00 WT1 H ATOM 5896 OH2 TIP3 957 53.388 1.640 48.179 1.00 0.00 WT1 O ATOM 5897 H1 TIP3 957 52.721 2.310 48.327 1.00 0.00 WT1 H ATOM 5898 H2 TIP3 957 54.073 2.088 47.683 1.00 0.00 WT1 H ATOM 5899 OH2 TIP3 958 53.646 7.576 3.014 1.00 0.00 WT1 O ATOM 5900 H1 TIP3 958 53.218 8.433 3.018 1.00 0.00 WT1 H ATOM 5901 H2 TIP3 958 53.620 7.290 3.927 1.00 0.00 WT1 H ATOM 5902 OH2 TIP3 959 57.937 20.022 13.265 1.00 0.00 WT1 O ATOM 5903 H1 TIP3 959 57.311 20.332 12.612 1.00 0.00 WT1 H ATOM 5904 H2 TIP3 959 57.418 19.478 13.857 1.00 0.00 WT1 H ATOM 5905 OH2 TIP3 960 70.632 68.975 66.782 1.00 0.00 WT1 O ATOM 5906 H1 TIP3 960 70.163 68.148 66.672 1.00 0.00 WT1 H ATOM 5907 H2 TIP3 960 71.030 68.912 67.650 1.00 0.00 WT1 H ATOM 5908 OH2 TIP3 961 23.914 15.550 36.808 1.00 0.00 WT1 O ATOM 5909 H1 TIP3 961 24.635 16.091 37.130 1.00 0.00 WT1 H ATOM 5910 H2 TIP3 961 23.153 15.841 37.310 1.00 0.00 WT1 H ATOM 5911 OH2 TIP3 962 63.903 81.842 26.120 1.00 0.00 WT1 O ATOM 5912 H1 TIP3 962 64.169 81.740 27.034 1.00 0.00 WT1 H ATOM 5913 H2 TIP3 962 63.928 80.954 25.763 1.00 0.00 WT1 H ATOM 5914 OH2 TIP3 963 49.863 86.102 -13.348 1.00 0.00 WT1 O ATOM 5915 H1 TIP3 963 50.606 85.499 -13.341 1.00 0.00 WT1 H ATOM 5916 H2 TIP3 963 49.173 85.638 -12.873 1.00 0.00 WT1 H ATOM 5917 OH2 TIP3 964 49.858 92.873 58.161 1.00 0.00 WT1 O ATOM 5918 H1 TIP3 964 49.014 92.607 57.797 1.00 0.00 WT1 H ATOM 5919 H2 TIP3 964 50.463 92.181 57.892 1.00 0.00 WT1 H ATOM 5920 OH2 TIP3 965 31.000 0.234 27.354 1.00 0.00 WT1 O ATOM 5921 H1 TIP3 965 31.677 -0.306 27.762 1.00 0.00 WT1 H ATOM 5922 H2 TIP3 965 31.399 1.101 27.276 1.00 0.00 WT1 H ATOM 5923 OH2 TIP3 966 70.734 65.950 27.967 1.00 0.00 WT1 O ATOM 5924 H1 TIP3 966 69.936 66.479 27.955 1.00 0.00 WT1 H ATOM 5925 H2 TIP3 966 70.791 65.581 27.086 1.00 0.00 WT1 H ATOM 5926 OH2 TIP3 967 52.047 21.947 54.502 1.00 0.00 WT1 O ATOM 5927 H1 TIP3 967 51.301 21.582 54.027 1.00 0.00 WT1 H ATOM 5928 H2 TIP3 967 52.685 21.234 54.530 1.00 0.00 WT1 H ATOM 5929 OH2 TIP3 968 84.708 42.573 11.520 1.00 0.00 WT1 O ATOM 5930 H1 TIP3 968 83.991 43.196 11.644 1.00 0.00 WT1 H ATOM 5931 H2 TIP3 968 84.451 41.806 12.031 1.00 0.00 WT1 H ATOM 5932 OH2 TIP3 969 27.677 31.479 -16.710 1.00 0.00 WT1 O ATOM 5933 H1 TIP3 969 28.216 32.157 -17.119 1.00 0.00 WT1 H ATOM 5934 H2 TIP3 969 28.279 30.749 -16.565 1.00 0.00 WT1 H ATOM 5935 OH2 TIP3 970 33.092 16.910 18.296 1.00 0.00 WT1 O ATOM 5936 H1 TIP3 970 33.908 16.764 17.817 1.00 0.00 WT1 H ATOM 5937 H2 TIP3 970 32.683 17.654 17.854 1.00 0.00 WT1 H ATOM 5938 OH2 TIP3 971 86.465 29.286 41.312 1.00 0.00 WT1 O ATOM 5939 H1 TIP3 971 85.532 29.503 41.310 1.00 0.00 WT1 H ATOM 5940 H2 TIP3 971 86.817 29.749 42.072 1.00 0.00 WT1 H ATOM 5941 OH2 TIP3 972 37.709 31.725 11.153 1.00 0.00 WT1 O ATOM 5942 H1 TIP3 972 38.272 32.466 11.378 1.00 0.00 WT1 H ATOM 5943 H2 TIP3 972 38.105 30.978 11.601 1.00 0.00 WT1 H ATOM 5944 OH2 TIP3 973 32.922 51.752 13.770 1.00 0.00 WT1 O ATOM 5945 H1 TIP3 973 33.835 51.968 13.957 1.00 0.00 WT1 H ATOM 5946 H2 TIP3 973 32.964 51.160 13.019 1.00 0.00 WT1 H ATOM 5947 OH2 TIP3 974 71.766 22.194 -5.874 1.00 0.00 WT1 O ATOM 5948 H1 TIP3 974 72.322 22.965 -5.984 1.00 0.00 WT1 H ATOM 5949 H2 TIP3 974 70.939 22.540 -5.540 1.00 0.00 WT1 H ATOM 5950 OH2 TIP3 975 66.962 91.753 15.993 1.00 0.00 WT1 O ATOM 5951 H1 TIP3 975 67.295 91.177 16.682 1.00 0.00 WT1 H ATOM 5952 H2 TIP3 975 66.577 91.158 15.349 1.00 0.00 WT1 H ATOM 5953 OH2 TIP3 976 67.594 56.394 63.298 1.00 0.00 WT1 O ATOM 5954 H1 TIP3 976 67.809 57.011 62.599 1.00 0.00 WT1 H ATOM 5955 H2 TIP3 976 68.261 55.711 63.229 1.00 0.00 WT1 H ATOM 5956 OH2 TIP3 977 40.998 17.397 38.406 1.00 0.00 WT1 O ATOM 5957 H1 TIP3 977 40.844 17.844 37.573 1.00 0.00 WT1 H ATOM 5958 H2 TIP3 977 41.847 16.970 38.295 1.00 0.00 WT1 H ATOM 5959 OH2 TIP3 978 35.242 90.732 33.319 1.00 0.00 WT1 O ATOM 5960 H1 TIP3 978 36.191 90.843 33.377 1.00 0.00 WT1 H ATOM 5961 H2 TIP3 978 35.053 89.978 33.878 1.00 0.00 WT1 H ATOM 5962 OH2 TIP3 979 26.344 37.825 9.947 1.00 0.00 WT1 O ATOM 5963 H1 TIP3 979 26.055 38.281 9.157 1.00 0.00 WT1 H ATOM 5964 H2 TIP3 979 26.170 38.442 10.657 1.00 0.00 WT1 H ATOM 5965 OH2 TIP3 980 42.844 24.916 59.082 1.00 0.00 WT1 O ATOM 5966 H1 TIP3 980 42.144 24.264 59.116 1.00 0.00 WT1 H ATOM 5967 H2 TIP3 980 42.449 25.711 59.441 1.00 0.00 WT1 H ATOM 5968 OH2 TIP3 982 60.933 93.112 -19.069 1.00 0.00 WT1 O ATOM 5969 H1 TIP3 982 60.150 93.332 -18.565 1.00 0.00 WT1 H ATOM 5970 H2 TIP3 982 60.625 93.036 -19.972 1.00 0.00 WT1 H ATOM 5971 OH2 TIP3 983 37.530 86.240 48.035 1.00 0.00 WT1 O ATOM 5972 H1 TIP3 983 37.811 87.126 48.264 1.00 0.00 WT1 H ATOM 5973 H2 TIP3 983 36.596 86.223 48.245 1.00 0.00 WT1 H ATOM 5974 OH2 TIP3 984 24.388 63.612 0.568 1.00 0.00 WT1 O ATOM 5975 H1 TIP3 984 24.806 64.431 0.832 1.00 0.00 WT1 H ATOM 5976 H2 TIP3 984 25.062 63.146 0.073 1.00 0.00 WT1 H ATOM 5977 OH2 TIP3 985 88.039 22.287 40.227 1.00 0.00 WT1 O ATOM 5978 H1 TIP3 985 88.044 22.937 40.930 1.00 0.00 WT1 H ATOM 5979 H2 TIP3 985 88.869 22.421 39.770 1.00 0.00 WT1 H ATOM 5980 OH2 TIP3 986 68.165 60.507 33.265 1.00 0.00 WT1 O ATOM 5981 H1 TIP3 986 67.435 61.002 33.638 1.00 0.00 WT1 H ATOM 5982 H2 TIP3 986 67.906 59.590 33.359 1.00 0.00 WT1 H ATOM 5983 OH2 TIP3 988 65.132 46.287 53.021 1.00 0.00 WT1 O ATOM 5984 H1 TIP3 988 65.282 47.071 52.494 1.00 0.00 WT1 H ATOM 5985 H2 TIP3 988 64.181 46.185 53.035 1.00 0.00 WT1 H ATOM 5986 OH2 TIP3 989 90.165 9.049 9.929 1.00 0.00 WT1 O ATOM 5987 H1 TIP3 989 89.775 8.178 9.852 1.00 0.00 WT1 H ATOM 5988 H2 TIP3 989 89.539 9.547 10.455 1.00 0.00 WT1 H ATOM 5989 OH2 TIP3 990 62.016 22.647 61.435 1.00 0.00 WT1 O ATOM 5990 H1 TIP3 990 61.939 21.712 61.246 1.00 0.00 WT1 H ATOM 5991 H2 TIP3 990 62.598 22.983 60.753 1.00 0.00 WT1 H ATOM 5992 OH2 TIP3 991 46.368 86.240 32.694 1.00 0.00 WT1 O ATOM 5993 H1 TIP3 991 46.545 86.317 31.757 1.00 0.00 WT1 H ATOM 5994 H2 TIP3 991 46.228 85.304 32.837 1.00 0.00 WT1 H ATOM 5995 OH2 TIP3 992 38.740 13.357 -12.906 1.00 0.00 WT1 O ATOM 5996 H1 TIP3 992 38.109 12.929 -12.327 1.00 0.00 WT1 H ATOM 5997 H2 TIP3 992 38.319 13.354 -13.765 1.00 0.00 WT1 H ATOM 5998 OH2 TIP3 994 23.636 55.297 7.285 1.00 0.00 WT1 O ATOM 5999 H1 TIP3 994 24.150 54.563 6.948 1.00 0.00 WT1 H ATOM 6000 H2 TIP3 994 22.814 55.259 6.797 1.00 0.00 WT1 H ATOM 6001 OH2 TIP3 995 72.057 18.145 46.157 1.00 0.00 WT1 O ATOM 6002 H1 TIP3 995 72.145 18.749 45.420 1.00 0.00 WT1 H ATOM 6003 H2 TIP3 995 72.777 18.376 46.744 1.00 0.00 WT1 H ATOM 6004 OH2 TIP3 996 55.041 39.217 -16.551 1.00 0.00 WT1 O ATOM 6005 H1 TIP3 996 55.682 39.923 -16.633 1.00 0.00 WT1 H ATOM 6006 H2 TIP3 996 54.460 39.502 -15.845 1.00 0.00 WT1 H ATOM 6007 OH2 TIP3 997 51.320 79.250 -11.312 1.00 0.00 WT1 O ATOM 6008 H1 TIP3 997 52.123 78.728 -11.297 1.00 0.00 WT1 H ATOM 6009 H2 TIP3 997 50.962 79.114 -12.188 1.00 0.00 WT1 H ATOM 6010 OH2 TIP3 999 50.150 95.184 13.286 1.00 0.00 WT1 O ATOM 6011 H1 TIP3 999 49.292 94.860 13.010 1.00 0.00 WT1 H ATOM 6012 H2 TIP3 999 50.358 95.876 12.659 1.00 0.00 WT1 H ATOM 6013 OH2 TIP3 1000 83.425 27.700 -5.403 1.00 0.00 WT1 O ATOM 6014 H1 TIP3 1000 83.221 26.849 -5.789 1.00 0.00 WT1 H ATOM 6015 H2 TIP3 1000 84.301 27.592 -5.033 1.00 0.00 WT1 H ATOM 6016 OH2 TIP3 1001 35.969 34.237 -16.362 1.00 0.00 WT1 O ATOM 6017 H1 TIP3 1001 36.747 33.735 -16.117 1.00 0.00 WT1 H ATOM 6018 H2 TIP3 1001 36.304 34.940 -16.920 1.00 0.00 WT1 H ATOM 6019 OH2 TIP3 1002 87.501 47.339 33.436 1.00 0.00 WT1 O ATOM 6020 H1 TIP3 1002 86.843 47.238 32.748 1.00 0.00 WT1 H ATOM 6021 H2 TIP3 1002 87.789 46.446 33.626 1.00 0.00 WT1 H ATOM 6022 OH2 TIP3 1003 79.622 38.580 29.931 1.00 0.00 WT1 O ATOM 6023 H1 TIP3 1003 79.742 38.858 30.839 1.00 0.00 WT1 H ATOM 6024 H2 TIP3 1003 80.299 39.051 29.444 1.00 0.00 WT1 H ATOM 6025 OH2 TIP3 1004 46.487 19.663 19.797 1.00 0.00 WT1 O ATOM 6026 H1 TIP3 1004 46.032 19.843 20.619 1.00 0.00 WT1 H ATOM 6027 H2 TIP3 1004 47.064 20.416 19.672 1.00 0.00 WT1 H ATOM 6028 OH2 TIP3 1005 37.016 38.434 12.983 1.00 0.00 WT1 O ATOM 6029 H1 TIP3 1005 36.961 39.118 13.650 1.00 0.00 WT1 H ATOM 6030 H2 TIP3 1005 37.081 37.618 13.480 1.00 0.00 WT1 H ATOM 6031 OH2 TIP3 1006 32.519 80.693 64.821 1.00 0.00 WT1 O ATOM 6032 H1 TIP3 1006 32.296 79.903 65.314 1.00 0.00 WT1 H ATOM 6033 H2 TIP3 1006 33.374 80.502 64.436 1.00 0.00 WT1 H ATOM 6034 OH2 TIP3 1007 81.573 45.817 -4.557 1.00 0.00 WT1 O ATOM 6035 H1 TIP3 1007 81.123 46.297 -3.862 1.00 0.00 WT1 H ATOM 6036 H2 TIP3 1007 81.876 46.496 -5.161 1.00 0.00 WT1 H ATOM 6037 OH2 TIP3 1008 77.985 12.115 44.657 1.00 0.00 WT1 O ATOM 6038 H1 TIP3 1008 78.073 12.935 45.143 1.00 0.00 WT1 H ATOM 6039 H2 TIP3 1008 77.867 12.387 43.747 1.00 0.00 WT1 H ATOM 6040 OH2 TIP3 1009 84.589 87.035 53.104 1.00 0.00 WT1 O ATOM 6041 H1 TIP3 1009 83.772 86.572 53.287 1.00 0.00 WT1 H ATOM 6042 H2 TIP3 1009 84.842 87.418 53.944 1.00 0.00 WT1 H ATOM 6043 OH2 TIP3 1010 24.915 65.853 49.747 1.00 0.00 WT1 O ATOM 6044 H1 TIP3 1010 24.590 66.043 50.628 1.00 0.00 WT1 H ATOM 6045 H2 TIP3 1010 24.947 66.706 49.314 1.00 0.00 WT1 H ATOM 6046 OH2 TIP3 1011 60.162 47.162 -10.862 1.00 0.00 WT1 O ATOM 6047 H1 TIP3 1011 59.289 46.774 -10.794 1.00 0.00 WT1 H ATOM 6048 H2 TIP3 1011 60.554 47.021 -10.000 1.00 0.00 WT1 H ATOM 6049 OH2 TIP3 1012 41.250 83.795 21.081 1.00 0.00 WT1 O ATOM 6050 H1 TIP3 1012 40.360 83.519 20.866 1.00 0.00 WT1 H ATOM 6051 H2 TIP3 1012 41.735 82.978 21.192 1.00 0.00 WT1 H ATOM 6052 OH2 TIP3 1013 58.074 93.095 16.240 1.00 0.00 WT1 O ATOM 6053 H1 TIP3 1013 58.672 92.854 15.532 1.00 0.00 WT1 H ATOM 6054 H2 TIP3 1013 58.543 93.770 16.731 1.00 0.00 WT1 H ATOM 6055 OH2 TIP3 1014 25.438 82.856 17.445 1.00 0.00 WT1 O ATOM 6056 H1 TIP3 1014 25.877 82.049 17.177 1.00 0.00 WT1 H ATOM 6057 H2 TIP3 1014 26.020 83.240 18.101 1.00 0.00 WT1 H ATOM 6058 OH2 TIP3 1015 61.695 26.857 7.717 1.00 0.00 WT1 O ATOM 6059 H1 TIP3 1015 61.958 25.942 7.811 1.00 0.00 WT1 H ATOM 6060 H2 TIP3 1015 61.110 27.016 8.458 1.00 0.00 WT1 H ATOM 6061 OH2 TIP3 1016 22.350 19.993 34.159 1.00 0.00 WT1 O ATOM 6062 H1 TIP3 1016 22.376 19.475 33.355 1.00 0.00 WT1 H ATOM 6063 H2 TIP3 1016 22.729 20.837 33.914 1.00 0.00 WT1 H ATOM 6064 OH2 TIP3 1017 57.987 85.742 38.528 1.00 0.00 WT1 O ATOM 6065 H1 TIP3 1017 58.499 85.526 37.749 1.00 0.00 WT1 H ATOM 6066 H2 TIP3 1017 57.954 84.927 39.028 1.00 0.00 WT1 H ATOM 6067 OH2 TIP3 1018 25.210 58.633 -13.208 1.00 0.00 WT1 O ATOM 6068 H1 TIP3 1018 25.431 57.976 -12.548 1.00 0.00 WT1 H ATOM 6069 H2 TIP3 1018 25.628 59.436 -12.896 1.00 0.00 WT1 H ATOM 6070 OH2 TIP3 1020 25.123 88.753 61.133 1.00 0.00 WT1 O ATOM 6071 H1 TIP3 1020 26.059 88.782 61.329 1.00 0.00 WT1 H ATOM 6072 H2 TIP3 1020 24.845 89.669 61.156 1.00 0.00 WT1 H ATOM 6073 OH2 TIP3 1021 37.249 63.747 13.291 1.00 0.00 WT1 O ATOM 6074 H1 TIP3 1021 37.719 62.964 13.005 1.00 0.00 WT1 H ATOM 6075 H2 TIP3 1021 37.694 64.013 14.096 1.00 0.00 WT1 H ATOM 6076 OH2 TIP3 1022 36.118 71.844 -15.038 1.00 0.00 WT1 O ATOM 6077 H1 TIP3 1022 36.307 71.365 -14.231 1.00 0.00 WT1 H ATOM 6078 H2 TIP3 1022 36.816 72.496 -15.100 1.00 0.00 WT1 H ATOM 6079 OH2 TIP3 1023 76.995 28.137 12.586 1.00 0.00 WT1 O ATOM 6080 H1 TIP3 1023 76.749 27.642 11.805 1.00 0.00 WT1 H ATOM 6081 H2 TIP3 1023 76.235 28.689 12.770 1.00 0.00 WT1 H ATOM 6082 OH2 TIP3 1025 33.775 90.073 48.762 1.00 0.00 WT1 O ATOM 6083 H1 TIP3 1025 33.627 89.717 47.886 1.00 0.00 WT1 H ATOM 6084 H2 TIP3 1025 33.933 91.006 48.619 1.00 0.00 WT1 H ATOM 6085 OH2 TIP3 1026 32.890 89.458 66.549 1.00 0.00 WT1 O ATOM 6086 H1 TIP3 1026 33.243 89.906 67.317 1.00 0.00 WT1 H ATOM 6087 H2 TIP3 1026 33.657 89.269 66.008 1.00 0.00 WT1 H ATOM 6088 OH2 TIP3 1027 81.932 87.573 -7.441 1.00 0.00 WT1 O ATOM 6089 H1 TIP3 1027 81.218 88.107 -7.095 1.00 0.00 WT1 H ATOM 6090 H2 TIP3 1027 81.805 86.713 -7.042 1.00 0.00 WT1 H ATOM 6091 OH2 TIP3 1028 26.818 44.633 15.799 1.00 0.00 WT1 O ATOM 6092 H1 TIP3 1028 26.396 45.392 16.203 1.00 0.00 WT1 H ATOM 6093 H2 TIP3 1028 27.727 44.904 15.671 1.00 0.00 WT1 H ATOM 6094 OH2 TIP3 1029 29.404 33.654 61.663 1.00 0.00 WT1 O ATOM 6095 H1 TIP3 1029 29.510 34.362 61.028 1.00 0.00 WT1 H ATOM 6096 H2 TIP3 1029 28.762 33.987 62.290 1.00 0.00 WT1 H ATOM 6097 OH2 TIP3 1030 41.894 4.469 -1.945 1.00 0.00 WT1 O ATOM 6098 H1 TIP3 1030 42.097 4.091 -2.800 1.00 0.00 WT1 H ATOM 6099 H2 TIP3 1030 41.111 4.999 -2.096 1.00 0.00 WT1 H ATOM 6100 OH2 TIP3 1031 66.221 31.073 32.385 1.00 0.00 WT1 O ATOM 6101 H1 TIP3 1031 66.263 31.919 31.940 1.00 0.00 WT1 H ATOM 6102 H2 TIP3 1031 66.935 31.101 33.023 1.00 0.00 WT1 H ATOM 6103 OH2 TIP3 1032 38.062 93.639 20.818 1.00 0.00 WT1 O ATOM 6104 H1 TIP3 1032 38.957 93.934 20.986 1.00 0.00 WT1 H ATOM 6105 H2 TIP3 1032 38.148 92.703 20.638 1.00 0.00 WT1 H ATOM 6106 OH2 TIP3 1033 55.417 84.010 -15.559 1.00 0.00 WT1 O ATOM 6107 H1 TIP3 1033 55.725 84.902 -15.718 1.00 0.00 WT1 H ATOM 6108 H2 TIP3 1033 56.213 83.478 -15.559 1.00 0.00 WT1 H ATOM 6109 OH2 TIP3 1034 28.727 42.566 43.152 1.00 0.00 WT1 O ATOM 6110 H1 TIP3 1034 28.024 43.066 42.739 1.00 0.00 WT1 H ATOM 6111 H2 TIP3 1034 29.113 43.172 43.784 1.00 0.00 WT1 H ATOM 6112 OH2 TIP3 1035 40.810 33.170 31.936 1.00 0.00 WT1 O ATOM 6113 H1 TIP3 1035 41.019 32.623 32.693 1.00 0.00 WT1 H ATOM 6114 H2 TIP3 1035 41.562 33.756 31.849 1.00 0.00 WT1 H ATOM 6115 OH2 TIP3 1036 77.517 58.503 20.340 1.00 0.00 WT1 O ATOM 6116 H1 TIP3 1036 77.652 57.748 20.913 1.00 0.00 WT1 H ATOM 6117 H2 TIP3 1036 76.714 58.910 20.665 1.00 0.00 WT1 H ATOM 6118 OH2 TIP3 1037 64.131 53.306 65.406 1.00 0.00 WT1 O ATOM 6119 H1 TIP3 1037 64.084 52.627 66.079 1.00 0.00 WT1 H ATOM 6120 H2 TIP3 1037 63.360 53.852 65.563 1.00 0.00 WT1 H ATOM 6121 OH2 TIP3 1038 36.559 55.181 44.974 1.00 0.00 WT1 O ATOM 6122 H1 TIP3 1038 36.830 55.939 45.492 1.00 0.00 WT1 H ATOM 6123 H2 TIP3 1038 36.663 54.436 45.566 1.00 0.00 WT1 H ATOM 6124 OH2 TIP3 1039 43.303 46.077 46.996 1.00 0.00 WT1 O ATOM 6125 H1 TIP3 1039 44.236 46.121 46.788 1.00 0.00 WT1 H ATOM 6126 H2 TIP3 1039 42.884 46.634 46.340 1.00 0.00 WT1 H ATOM 6127 OH2 TIP3 1040 58.068 7.063 8.003 1.00 0.00 WT1 O ATOM 6128 H1 TIP3 1040 57.888 6.997 8.940 1.00 0.00 WT1 H ATOM 6129 H2 TIP3 1040 57.372 7.625 7.663 1.00 0.00 WT1 H ATOM 6130 OH2 TIP3 1041 57.131 32.328 15.952 1.00 0.00 WT1 O ATOM 6131 H1 TIP3 1041 57.216 32.636 15.050 1.00 0.00 WT1 H ATOM 6132 H2 TIP3 1041 56.202 32.117 16.047 1.00 0.00 WT1 H ATOM 6133 OH2 TIP3 1042 70.707 34.851 33.758 1.00 0.00 WT1 O ATOM 6134 H1 TIP3 1042 70.709 35.336 34.582 1.00 0.00 WT1 H ATOM 6135 H2 TIP3 1042 71.300 35.341 33.189 1.00 0.00 WT1 H ATOM 6136 OH2 TIP3 1043 31.052 69.941 35.640 1.00 0.00 WT1 O ATOM 6137 H1 TIP3 1043 31.308 69.025 35.754 1.00 0.00 WT1 H ATOM 6138 H2 TIP3 1043 31.862 70.386 35.389 1.00 0.00 WT1 H ATOM 6139 OH2 TIP3 1044 31.318 89.374 31.964 1.00 0.00 WT1 O ATOM 6140 H1 TIP3 1044 32.055 89.038 32.474 1.00 0.00 WT1 H ATOM 6141 H2 TIP3 1044 30.686 89.666 32.621 1.00 0.00 WT1 H ATOM 6142 OH2 TIP3 1045 88.114 75.504 27.927 1.00 0.00 WT1 O ATOM 6143 H1 TIP3 1045 87.335 75.283 27.416 1.00 0.00 WT1 H ATOM 6144 H2 TIP3 1045 88.827 75.505 27.288 1.00 0.00 WT1 H ATOM 6145 OH2 TIP3 1046 39.050 19.847 46.514 1.00 0.00 WT1 O ATOM 6146 H1 TIP3 1046 39.712 20.123 45.880 1.00 0.00 WT1 H ATOM 6147 H2 TIP3 1046 38.239 20.251 46.204 1.00 0.00 WT1 H ATOM 6148 OH2 TIP3 1047 88.998 53.521 42.897 1.00 0.00 WT1 O ATOM 6149 H1 TIP3 1047 89.818 53.054 42.736 1.00 0.00 WT1 H ATOM 6150 H2 TIP3 1047 88.712 53.214 43.757 1.00 0.00 WT1 H ATOM 6151 OH2 TIP3 1048 89.470 54.649 19.987 1.00 0.00 WT1 O ATOM 6152 H1 TIP3 1048 90.219 54.290 19.511 1.00 0.00 WT1 H ATOM 6153 H2 TIP3 1048 88.750 54.623 19.357 1.00 0.00 WT1 H ATOM 6154 OH2 TIP3 1049 78.890 81.921 31.227 1.00 0.00 WT1 O ATOM 6155 H1 TIP3 1049 78.186 82.242 31.791 1.00 0.00 WT1 H ATOM 6156 H2 TIP3 1049 79.127 82.676 30.688 1.00 0.00 WT1 H ATOM 6157 OH2 TIP3 1050 73.823 47.360 12.479 1.00 0.00 WT1 O ATOM 6158 H1 TIP3 1050 73.953 47.364 13.427 1.00 0.00 WT1 H ATOM 6159 H2 TIP3 1050 73.511 46.476 12.283 1.00 0.00 WT1 H ATOM 6160 OH2 TIP3 1051 87.162 55.294 5.589 1.00 0.00 WT1 O ATOM 6161 H1 TIP3 1051 86.482 55.735 5.081 1.00 0.00 WT1 H ATOM 6162 H2 TIP3 1051 86.750 55.112 6.434 1.00 0.00 WT1 H ATOM 6163 OH2 TIP3 1052 25.731 53.278 -17.358 1.00 0.00 WT1 O ATOM 6164 H1 TIP3 1052 25.470 53.087 -16.458 1.00 0.00 WT1 H ATOM 6165 H2 TIP3 1052 25.005 52.956 -17.892 1.00 0.00 WT1 H ATOM 6166 OH2 TIP3 1053 21.185 19.841 8.230 1.00 0.00 WT1 O ATOM 6167 H1 TIP3 1053 21.964 19.671 8.760 1.00 0.00 WT1 H ATOM 6168 H2 TIP3 1053 21.499 19.813 7.326 1.00 0.00 WT1 H ATOM 6169 OH2 TIP3 1054 89.364 71.886 -15.124 1.00 0.00 WT1 O ATOM 6170 H1 TIP3 1054 89.671 71.923 -14.218 1.00 0.00 WT1 H ATOM 6171 H2 TIP3 1054 89.258 70.952 -15.304 1.00 0.00 WT1 H ATOM 6172 OH2 TIP3 1055 56.483 58.463 -10.886 1.00 0.00 WT1 O ATOM 6173 H1 TIP3 1055 57.078 58.370 -10.142 1.00 0.00 WT1 H ATOM 6174 H2 TIP3 1055 56.879 57.933 -11.578 1.00 0.00 WT1 H ATOM 6175 OH2 TIP3 1056 55.775 35.477 15.015 1.00 0.00 WT1 O ATOM 6176 H1 TIP3 1056 54.864 35.201 14.908 1.00 0.00 WT1 H ATOM 6177 H2 TIP3 1056 55.883 35.587 15.960 1.00 0.00 WT1 H ATOM 6178 OH2 TIP3 1057 70.964 45.382 5.287 1.00 0.00 WT1 O ATOM 6179 H1 TIP3 1057 70.382 45.699 4.596 1.00 0.00 WT1 H ATOM 6180 H2 TIP3 1057 70.592 44.538 5.545 1.00 0.00 WT1 H ATOM 6181 OH2 TIP3 1058 88.216 28.885 63.636 1.00 0.00 WT1 O ATOM 6182 H1 TIP3 1058 88.090 27.951 63.470 1.00 0.00 WT1 H ATOM 6183 H2 TIP3 1058 89.157 28.978 63.781 1.00 0.00 WT1 H ATOM 6184 OH2 TIP3 1059 34.556 33.415 13.662 1.00 0.00 WT1 O ATOM 6185 H1 TIP3 1059 34.375 34.217 13.173 1.00 0.00 WT1 H ATOM 6186 H2 TIP3 1059 35.324 33.626 14.193 1.00 0.00 WT1 H ATOM 6187 OH2 TIP3 1060 21.728 61.506 38.276 1.00 0.00 WT1 O ATOM 6188 H1 TIP3 1060 20.856 61.637 37.905 1.00 0.00 WT1 H ATOM 6189 H2 TIP3 1060 22.287 62.117 37.797 1.00 0.00 WT1 H ATOM 6190 OH2 TIP3 1061 30.284 6.360 25.631 1.00 0.00 WT1 O ATOM 6191 H1 TIP3 1061 29.919 7.240 25.727 1.00 0.00 WT1 H ATOM 6192 H2 TIP3 1061 29.521 5.783 25.630 1.00 0.00 WT1 H ATOM 6193 OH2 TIP3 1062 28.398 17.817 58.768 1.00 0.00 WT1 O ATOM 6194 H1 TIP3 1062 29.083 17.172 58.946 1.00 0.00 WT1 H ATOM 6195 H2 TIP3 1062 28.002 17.989 59.623 1.00 0.00 WT1 H ATOM 6196 OH2 TIP3 1063 58.121 58.503 65.391 1.00 0.00 WT1 O ATOM 6197 H1 TIP3 1063 59.025 58.673 65.656 1.00 0.00 WT1 H ATOM 6198 H2 TIP3 1063 57.651 58.368 66.214 1.00 0.00 WT1 H ATOM 6199 OH2 TIP3 1064 29.843 49.789 37.146 1.00 0.00 WT1 O ATOM 6200 H1 TIP3 1064 30.684 49.332 37.145 1.00 0.00 WT1 H ATOM 6201 H2 TIP3 1064 29.576 49.801 36.227 1.00 0.00 WT1 H ATOM 6202 OH2 TIP3 1065 27.055 59.335 32.910 1.00 0.00 WT1 O ATOM 6203 H1 TIP3 1065 26.509 58.977 32.210 1.00 0.00 WT1 H ATOM 6204 H2 TIP3 1065 27.579 60.013 32.483 1.00 0.00 WT1 H ATOM 6205 OH2 TIP3 1066 32.178 60.280 1.244 1.00 0.00 WT1 O ATOM 6206 H1 TIP3 1066 32.073 60.702 2.097 1.00 0.00 WT1 H ATOM 6207 H2 TIP3 1066 32.121 59.343 1.432 1.00 0.00 WT1 H ATOM 6208 OH2 TIP3 1067 58.031 25.955 5.283 1.00 0.00 WT1 O ATOM 6209 H1 TIP3 1067 58.325 26.534 4.580 1.00 0.00 WT1 H ATOM 6210 H2 TIP3 1067 57.154 26.271 5.502 1.00 0.00 WT1 H ATOM 6211 OH2 TIP3 1068 83.905 26.297 60.184 1.00 0.00 WT1 O ATOM 6212 H1 TIP3 1068 83.231 26.780 60.662 1.00 0.00 WT1 H ATOM 6213 H2 TIP3 1068 84.220 26.914 59.523 1.00 0.00 WT1 H ATOM 6214 OH2 TIP3 1069 39.827 46.827 46.541 1.00 0.00 WT1 O ATOM 6215 H1 TIP3 1069 39.891 47.333 47.350 1.00 0.00 WT1 H ATOM 6216 H2 TIP3 1069 40.097 47.437 45.854 1.00 0.00 WT1 H ATOM 6217 OH2 TIP3 1070 59.999 1.006 -1.984 1.00 0.00 WT1 O ATOM 6218 H1 TIP3 1070 60.669 1.240 -2.626 1.00 0.00 WT1 H ATOM 6219 H2 TIP3 1070 60.488 0.817 -1.184 1.00 0.00 WT1 H ATOM 6220 OH2 TIP3 1071 47.706 10.271 -18.708 1.00 0.00 WT1 O ATOM 6221 H1 TIP3 1071 48.061 10.997 -18.194 1.00 0.00 WT1 H ATOM 6222 H2 TIP3 1071 46.867 10.597 -19.036 1.00 0.00 WT1 H ATOM 6223 OH2 TIP3 1072 40.716 12.364 -3.814 1.00 0.00 WT1 O ATOM 6224 H1 TIP3 1072 41.308 12.037 -3.136 1.00 0.00 WT1 H ATOM 6225 H2 TIP3 1072 39.866 12.429 -3.379 1.00 0.00 WT1 H ATOM 6226 OH2 TIP3 1073 37.737 30.784 55.268 1.00 0.00 WT1 O ATOM 6227 H1 TIP3 1073 38.438 30.800 55.920 1.00 0.00 WT1 H ATOM 6228 H2 TIP3 1073 38.090 30.258 54.550 1.00 0.00 WT1 H ATOM 6229 OH2 TIP3 1074 77.250 31.069 64.083 1.00 0.00 WT1 O ATOM 6230 H1 TIP3 1074 76.350 30.903 63.804 1.00 0.00 WT1 H ATOM 6231 H2 TIP3 1074 77.789 30.605 63.443 1.00 0.00 WT1 H ATOM 6232 OH2 TIP3 1076 25.302 62.610 4.256 1.00 0.00 WT1 O ATOM 6233 H1 TIP3 1076 25.763 62.481 3.427 1.00 0.00 WT1 H ATOM 6234 H2 TIP3 1076 25.720 63.377 4.647 1.00 0.00 WT1 H ATOM 6235 OH2 TIP3 1077 73.249 15.152 -17.791 1.00 0.00 WT1 O ATOM 6236 H1 TIP3 1077 72.313 15.278 -17.637 1.00 0.00 WT1 H ATOM 6237 H2 TIP3 1077 73.336 14.220 -17.992 1.00 0.00 WT1 H ATOM 6238 OH2 TIP3 1078 48.122 69.854 -2.153 1.00 0.00 WT1 O ATOM 6239 H1 TIP3 1078 48.703 70.204 -1.478 1.00 0.00 WT1 H ATOM 6240 H2 TIP3 1078 48.518 70.131 -2.979 1.00 0.00 WT1 H ATOM 6241 OH2 TIP3 1080 48.875 55.200 7.963 1.00 0.00 WT1 O ATOM 6242 H1 TIP3 1080 49.113 55.045 8.877 1.00 0.00 WT1 H ATOM 6243 H2 TIP3 1080 49.589 55.737 7.617 1.00 0.00 WT1 H ATOM 6244 OH2 TIP3 1081 71.118 59.734 -2.349 1.00 0.00 WT1 O ATOM 6245 H1 TIP3 1081 70.180 59.694 -2.158 1.00 0.00 WT1 H ATOM 6246 H2 TIP3 1081 71.500 59.034 -1.820 1.00 0.00 WT1 H ATOM 6247 OH2 TIP3 1084 25.400 20.484 12.769 1.00 0.00 WT1 O ATOM 6248 H1 TIP3 1084 25.910 20.729 11.997 1.00 0.00 WT1 H ATOM 6249 H2 TIP3 1084 25.410 21.267 13.321 1.00 0.00 WT1 H ATOM 6250 OH2 TIP3 1085 82.671 41.340 15.965 1.00 0.00 WT1 O ATOM 6251 H1 TIP3 1085 81.924 41.384 16.562 1.00 0.00 WT1 H ATOM 6252 H2 TIP3 1085 82.997 42.238 15.921 1.00 0.00 WT1 H ATOM 6253 OH2 TIP3 1086 32.724 38.500 56.861 1.00 0.00 WT1 O ATOM 6254 H1 TIP3 1086 33.219 37.682 56.812 1.00 0.00 WT1 H ATOM 6255 H2 TIP3 1086 31.960 38.352 56.303 1.00 0.00 WT1 H ATOM 6256 OH2 TIP3 1087 59.361 27.234 42.857 1.00 0.00 WT1 O ATOM 6257 H1 TIP3 1087 58.696 27.576 43.454 1.00 0.00 WT1 H ATOM 6258 H2 TIP3 1087 58.966 27.314 41.988 1.00 0.00 WT1 H ATOM 6259 OH2 TIP3 1088 38.888 23.490 52.225 1.00 0.00 WT1 O ATOM 6260 H1 TIP3 1088 38.513 22.683 51.871 1.00 0.00 WT1 H ATOM 6261 H2 TIP3 1088 38.877 24.102 51.490 1.00 0.00 WT1 H ATOM 6262 OH2 TIP3 1089 75.087 65.529 55.739 1.00 0.00 WT1 O ATOM 6263 H1 TIP3 1089 75.637 65.404 56.513 1.00 0.00 WT1 H ATOM 6264 H2 TIP3 1089 75.543 65.059 55.041 1.00 0.00 WT1 H ATOM 6265 OH2 TIP3 1090 43.437 19.109 52.390 1.00 0.00 WT1 O ATOM 6266 H1 TIP3 1090 43.042 19.367 51.557 1.00 0.00 WT1 H ATOM 6267 H2 TIP3 1090 43.843 19.909 52.721 1.00 0.00 WT1 H ATOM 6268 OH2 TIP3 1091 33.447 42.845 22.152 1.00 0.00 WT1 O ATOM 6269 H1 TIP3 1091 33.031 43.355 21.457 1.00 0.00 WT1 H ATOM 6270 H2 TIP3 1091 34.232 42.479 21.744 1.00 0.00 WT1 H ATOM 6271 OH2 TIP3 1092 81.675 89.828 47.990 1.00 0.00 WT1 O ATOM 6272 H1 TIP3 1092 80.752 89.716 47.764 1.00 0.00 WT1 H ATOM 6273 H2 TIP3 1092 82.030 90.373 47.287 1.00 0.00 WT1 H ATOM 6274 OH2 TIP3 1093 50.365 44.561 12.089 1.00 0.00 WT1 O ATOM 6275 H1 TIP3 1093 51.122 45.001 12.476 1.00 0.00 WT1 H ATOM 6276 H2 TIP3 1093 49.870 44.232 12.839 1.00 0.00 WT1 H ATOM 6277 OH2 TIP3 1094 78.129 13.058 -19.209 1.00 0.00 WT1 O ATOM 6278 H1 TIP3 1094 77.409 13.660 -19.020 1.00 0.00 WT1 H ATOM 6279 H2 TIP3 1094 77.965 12.303 -18.645 1.00 0.00 WT1 H ATOM 6280 OH2 TIP3 1095 90.805 49.818 -7.473 1.00 0.00 WT1 O ATOM 6281 H1 TIP3 1095 89.902 49.774 -7.786 1.00 0.00 WT1 H ATOM 6282 H2 TIP3 1095 90.739 49.687 -6.527 1.00 0.00 WT1 H ATOM 6283 OH2 TIP3 1096 52.957 66.522 45.656 1.00 0.00 WT1 O ATOM 6284 H1 TIP3 1096 53.755 66.912 45.299 1.00 0.00 WT1 H ATOM 6285 H2 TIP3 1096 52.264 66.804 45.059 1.00 0.00 WT1 H ATOM 6286 OH2 TIP3 1097 37.007 34.110 44.829 1.00 0.00 WT1 O ATOM 6287 H1 TIP3 1097 37.269 33.336 44.329 1.00 0.00 WT1 H ATOM 6288 H2 TIP3 1097 36.665 33.760 45.652 1.00 0.00 WT1 H ATOM 6289 OH2 TIP3 1098 75.713 12.123 56.484 1.00 0.00 WT1 O ATOM 6290 H1 TIP3 1098 76.334 12.819 56.271 1.00 0.00 WT1 H ATOM 6291 H2 TIP3 1098 75.504 11.721 55.641 1.00 0.00 WT1 H ATOM 6292 OH2 TIP3 1099 23.275 7.542 1.785 1.00 0.00 WT1 O ATOM 6293 H1 TIP3 1099 24.222 7.552 1.651 1.00 0.00 WT1 H ATOM 6294 H2 TIP3 1099 22.961 8.325 1.331 1.00 0.00 WT1 H ATOM 6295 OH2 TIP3 1100 34.050 4.065 -0.781 1.00 0.00 WT1 O ATOM 6296 H1 TIP3 1100 33.891 5.006 -0.860 1.00 0.00 WT1 H ATOM 6297 H2 TIP3 1100 35.002 3.977 -0.830 1.00 0.00 WT1 H ATOM 6298 OH2 TIP3 1101 58.127 50.665 -18.182 1.00 0.00 WT1 O ATOM 6299 H1 TIP3 1101 58.976 50.255 -18.347 1.00 0.00 WT1 H ATOM 6300 H2 TIP3 1101 57.560 49.943 -17.912 1.00 0.00 WT1 H ATOM 6301 OH2 TIP3 1102 45.571 0.267 -3.593 1.00 0.00 WT1 O ATOM 6302 H1 TIP3 1102 45.202 -0.184 -4.353 1.00 0.00 WT1 H ATOM 6303 H2 TIP3 1102 44.870 0.249 -2.941 1.00 0.00 WT1 H ATOM 6304 OH2 TIP3 1103 38.353 67.425 29.449 1.00 0.00 WT1 O ATOM 6305 H1 TIP3 1103 38.704 66.709 28.919 1.00 0.00 WT1 H ATOM 6306 H2 TIP3 1103 39.035 68.097 29.427 1.00 0.00 WT1 H ATOM 6307 OH2 TIP3 1104 36.367 69.613 64.645 1.00 0.00 WT1 O ATOM 6308 H1 TIP3 1104 37.166 69.481 65.156 1.00 0.00 WT1 H ATOM 6309 H2 TIP3 1104 36.286 70.563 64.567 1.00 0.00 WT1 H ATOM 6310 OH2 TIP3 1105 62.622 28.909 34.614 1.00 0.00 WT1 O ATOM 6311 H1 TIP3 1105 62.946 29.036 33.723 1.00 0.00 WT1 H ATOM 6312 H2 TIP3 1105 61.672 28.852 34.518 1.00 0.00 WT1 H ATOM 6313 OH2 TIP3 1106 79.889 21.296 -19.506 1.00 0.00 WT1 O ATOM 6314 H1 TIP3 1106 79.289 21.164 -20.240 1.00 0.00 WT1 H ATOM 6315 H2 TIP3 1106 79.957 22.247 -19.420 1.00 0.00 WT1 H ATOM 6316 OH2 TIP3 1107 22.215 65.497 19.661 1.00 0.00 WT1 O ATOM 6317 H1 TIP3 1107 22.606 64.627 19.743 1.00 0.00 WT1 H ATOM 6318 H2 TIP3 1107 21.274 65.347 19.753 1.00 0.00 WT1 H ATOM 6319 OH2 TIP3 1108 88.048 13.667 39.519 1.00 0.00 WT1 O ATOM 6320 H1 TIP3 1108 88.853 13.155 39.604 1.00 0.00 WT1 H ATOM 6321 H2 TIP3 1108 87.345 13.034 39.664 1.00 0.00 WT1 H ATOM 6322 OH2 TIP3 1109 76.306 17.237 43.096 1.00 0.00 WT1 O ATOM 6323 H1 TIP3 1109 76.388 17.641 42.232 1.00 0.00 WT1 H ATOM 6324 H2 TIP3 1109 75.378 17.018 43.172 1.00 0.00 WT1 H ATOM 6325 OH2 TIP3 1110 37.163 96.239 46.216 1.00 0.00 WT1 O ATOM 6326 H1 TIP3 1110 37.508 96.635 47.016 1.00 0.00 WT1 H ATOM 6327 H2 TIP3 1110 37.931 96.112 45.660 1.00 0.00 WT1 H ATOM 6328 OH2 TIP3 1111 24.400 42.618 43.154 1.00 0.00 WT1 O ATOM 6329 H1 TIP3 1111 23.645 43.157 42.918 1.00 0.00 WT1 H ATOM 6330 H2 TIP3 1111 24.645 42.178 42.340 1.00 0.00 WT1 H ATOM 6331 OH2 TIP3 1112 53.070 88.167 -16.945 1.00 0.00 WT1 O ATOM 6332 H1 TIP3 1112 52.470 87.422 -16.893 1.00 0.00 WT1 H ATOM 6333 H2 TIP3 1112 53.027 88.446 -17.860 1.00 0.00 WT1 H ATOM 6334 OH2 TIP3 1113 48.064 27.278 57.311 1.00 0.00 WT1 O ATOM 6335 H1 TIP3 1113 48.305 28.131 56.949 1.00 0.00 WT1 H ATOM 6336 H2 TIP3 1113 47.118 27.219 57.179 1.00 0.00 WT1 H ATOM 6337 OH2 TIP3 1114 53.893 41.212 -19.297 1.00 0.00 WT1 O ATOM 6338 H1 TIP3 1114 54.438 41.175 -18.511 1.00 0.00 WT1 H ATOM 6339 H2 TIP3 1114 54.108 40.411 -19.775 1.00 0.00 WT1 H ATOM 6340 OH2 TIP3 1115 30.680 1.506 30.306 1.00 0.00 WT1 O ATOM 6341 H1 TIP3 1115 29.994 1.611 30.965 1.00 0.00 WT1 H ATOM 6342 H2 TIP3 1115 31.487 1.748 30.760 1.00 0.00 WT1 H ATOM 6343 OH2 TIP3 1116 79.301 42.502 48.299 1.00 0.00 WT1 O ATOM 6344 H1 TIP3 1116 79.101 43.345 48.705 1.00 0.00 WT1 H ATOM 6345 H2 TIP3 1116 79.457 41.912 49.036 1.00 0.00 WT1 H ATOM 6346 OH2 TIP3 1117 45.539 6.721 29.413 1.00 0.00 WT1 O ATOM 6347 H1 TIP3 1117 45.838 7.077 30.250 1.00 0.00 WT1 H ATOM 6348 H2 TIP3 1117 46.296 6.803 28.833 1.00 0.00 WT1 H ATOM 6349 OH2 TIP3 1118 67.544 42.437 55.034 1.00 0.00 WT1 O ATOM 6350 H1 TIP3 1118 68.196 42.577 55.721 1.00 0.00 WT1 H ATOM 6351 H2 TIP3 1118 66.733 42.254 55.508 1.00 0.00 WT1 H ATOM 6352 OH2 TIP3 1119 44.815 9.057 1.478 1.00 0.00 WT1 O ATOM 6353 H1 TIP3 1119 44.823 9.944 1.838 1.00 0.00 WT1 H ATOM 6354 H2 TIP3 1119 45.010 8.493 2.227 1.00 0.00 WT1 H ATOM 6355 OH2 TIP3 1120 72.832 2.903 47.616 1.00 0.00 WT1 O ATOM 6356 H1 TIP3 1120 73.658 2.983 48.092 1.00 0.00 WT1 H ATOM 6357 H2 TIP3 1120 72.323 2.270 48.122 1.00 0.00 WT1 H ATOM 6358 OH2 TIP3 1121 85.551 24.479 62.792 1.00 0.00 WT1 O ATOM 6359 H1 TIP3 1121 84.826 24.855 62.294 1.00 0.00 WT1 H ATOM 6360 H2 TIP3 1121 85.741 23.651 62.352 1.00 0.00 WT1 H ATOM 6361 OH2 TIP3 1122 58.170 83.465 -1.524 1.00 0.00 WT1 O ATOM 6362 H1 TIP3 1122 57.308 83.830 -1.323 1.00 0.00 WT1 H ATOM 6363 H2 TIP3 1122 57.988 82.582 -1.845 1.00 0.00 WT1 H ATOM 6364 OH2 TIP3 1123 85.881 39.555 -0.643 1.00 0.00 WT1 O ATOM 6365 H1 TIP3 1123 86.167 39.378 -1.539 1.00 0.00 WT1 H ATOM 6366 H2 TIP3 1123 85.239 40.260 -0.730 1.00 0.00 WT1 H ATOM 6367 OH2 TIP3 1124 63.259 8.981 45.652 1.00 0.00 WT1 O ATOM 6368 H1 TIP3 1124 63.563 8.082 45.522 1.00 0.00 WT1 H ATOM 6369 H2 TIP3 1124 62.405 8.887 46.074 1.00 0.00 WT1 H ATOM 6370 OH2 TIP3 1125 86.883 58.072 41.833 1.00 0.00 WT1 O ATOM 6371 H1 TIP3 1125 86.948 58.905 41.366 1.00 0.00 WT1 H ATOM 6372 H2 TIP3 1125 86.724 58.319 42.744 1.00 0.00 WT1 H ATOM 6373 OH2 TIP3 1126 26.504 88.931 -13.977 1.00 0.00 WT1 O ATOM 6374 H1 TIP3 1126 27.236 88.621 -13.444 1.00 0.00 WT1 H ATOM 6375 H2 TIP3 1126 26.659 89.870 -14.075 1.00 0.00 WT1 H ATOM 6376 OH2 TIP3 1129 76.468 22.275 -9.109 1.00 0.00 WT1 O ATOM 6377 H1 TIP3 1129 77.304 22.223 -8.644 1.00 0.00 WT1 H ATOM 6378 H2 TIP3 1129 75.808 22.122 -8.433 1.00 0.00 WT1 H ATOM 6379 OH2 TIP3 1130 72.860 12.984 45.108 1.00 0.00 WT1 O ATOM 6380 H1 TIP3 1130 71.904 12.947 45.097 1.00 0.00 WT1 H ATOM 6381 H2 TIP3 1130 73.137 12.086 44.926 1.00 0.00 WT1 H ATOM 6382 OH2 TIP3 1131 55.860 16.576 -18.215 1.00 0.00 WT1 O ATOM 6383 H1 TIP3 1131 56.226 16.982 -19.001 1.00 0.00 WT1 H ATOM 6384 H2 TIP3 1131 56.473 15.873 -18.001 1.00 0.00 WT1 H ATOM 6385 OH2 TIP3 1132 49.469 45.133 43.937 1.00 0.00 WT1 O ATOM 6386 H1 TIP3 1132 48.652 45.556 44.201 1.00 0.00 WT1 H ATOM 6387 H2 TIP3 1132 49.351 44.213 44.175 1.00 0.00 WT1 H ATOM 6388 OH2 TIP3 1133 45.904 32.055 40.019 1.00 0.00 WT1 O ATOM 6389 H1 TIP3 1133 45.307 32.799 39.943 1.00 0.00 WT1 H ATOM 6390 H2 TIP3 1133 46.569 32.343 40.645 1.00 0.00 WT1 H ATOM 6391 OH2 TIP3 1134 86.955 52.610 -16.730 1.00 0.00 WT1 O ATOM 6392 H1 TIP3 1134 87.155 52.550 -17.664 1.00 0.00 WT1 H ATOM 6393 H2 TIP3 1134 86.479 53.436 -16.639 1.00 0.00 WT1 H ATOM 6394 OH2 TIP3 1135 49.948 77.313 13.815 1.00 0.00 WT1 O ATOM 6395 H1 TIP3 1135 50.440 76.525 14.045 1.00 0.00 WT1 H ATOM 6396 H2 TIP3 1135 49.705 77.699 14.657 1.00 0.00 WT1 H ATOM 6397 OH2 TIP3 1136 23.152 71.490 53.804 1.00 0.00 WT1 O ATOM 6398 H1 TIP3 1136 23.901 72.072 53.676 1.00 0.00 WT1 H ATOM 6399 H2 TIP3 1136 23.283 70.787 53.167 1.00 0.00 WT1 H ATOM 6400 OH2 TIP3 1137 70.307 66.579 -12.843 1.00 0.00 WT1 O ATOM 6401 H1 TIP3 1137 70.961 65.880 -12.884 1.00 0.00 WT1 H ATOM 6402 H2 TIP3 1137 69.993 66.666 -13.743 1.00 0.00 WT1 H ATOM 6403 OH2 TIP3 1139 41.372 42.054 18.306 1.00 0.00 WT1 O ATOM 6404 H1 TIP3 1139 41.874 41.267 18.516 1.00 0.00 WT1 H ATOM 6405 H2 TIP3 1139 40.492 41.873 18.637 1.00 0.00 WT1 H ATOM 6406 OH2 TIP3 1140 45.368 67.929 58.655 1.00 0.00 WT1 O ATOM 6407 H1 TIP3 1140 44.551 67.983 58.158 1.00 0.00 WT1 H ATOM 6408 H2 TIP3 1140 45.635 68.840 58.775 1.00 0.00 WT1 H ATOM 6409 OH2 TIP3 1141 54.730 12.370 -16.019 1.00 0.00 WT1 O ATOM 6410 H1 TIP3 1141 54.243 12.333 -16.842 1.00 0.00 WT1 H ATOM 6411 H2 TIP3 1141 54.216 11.838 -15.411 1.00 0.00 WT1 H ATOM 6412 OH2 TIP3 1142 61.146 18.650 46.251 1.00 0.00 WT1 O ATOM 6413 H1 TIP3 1142 61.038 19.371 45.631 1.00 0.00 WT1 H ATOM 6414 H2 TIP3 1142 61.868 18.132 45.894 1.00 0.00 WT1 H ATOM 6415 OH2 TIP3 1143 53.383 64.682 65.442 1.00 0.00 WT1 O ATOM 6416 H1 TIP3 1143 52.540 65.078 65.662 1.00 0.00 WT1 H ATOM 6417 H2 TIP3 1143 53.157 63.847 65.033 1.00 0.00 WT1 H ATOM 6418 OH2 TIP3 1144 87.920 78.825 51.633 1.00 0.00 WT1 O ATOM 6419 H1 TIP3 1144 87.192 79.445 51.599 1.00 0.00 WT1 H ATOM 6420 H2 TIP3 1144 88.427 79.092 52.400 1.00 0.00 WT1 H ATOM 6421 OH2 TIP3 1146 24.526 39.355 8.572 1.00 0.00 WT1 O ATOM 6422 H1 TIP3 1146 23.673 39.266 8.997 1.00 0.00 WT1 H ATOM 6423 H2 TIP3 1146 24.817 40.238 8.799 1.00 0.00 WT1 H ATOM 6424 OH2 TIP3 1147 33.960 45.094 -3.411 1.00 0.00 WT1 O ATOM 6425 H1 TIP3 1147 34.016 45.825 -4.027 1.00 0.00 WT1 H ATOM 6426 H2 TIP3 1147 34.524 45.353 -2.681 1.00 0.00 WT1 H ATOM 6427 OH2 TIP3 1148 63.688 53.140 36.101 1.00 0.00 WT1 O ATOM 6428 H1 TIP3 1148 63.220 53.004 35.278 1.00 0.00 WT1 H ATOM 6429 H2 TIP3 1148 63.089 52.817 36.774 1.00 0.00 WT1 H ATOM 6430 OH2 TIP3 1149 64.462 96.293 -5.051 1.00 0.00 WT1 O ATOM 6431 H1 TIP3 1149 63.535 96.117 -5.208 1.00 0.00 WT1 H ATOM 6432 H2 TIP3 1149 64.553 97.237 -5.180 1.00 0.00 WT1 H ATOM 6433 OH2 TIP3 1151 63.764 16.390 34.264 1.00 0.00 WT1 O ATOM 6434 H1 TIP3 1151 63.960 17.298 34.032 1.00 0.00 WT1 H ATOM 6435 H2 TIP3 1151 64.585 15.922 34.117 1.00 0.00 WT1 H ATOM 6436 OH2 TIP3 1152 23.995 33.596 1.526 1.00 0.00 WT1 O ATOM 6437 H1 TIP3 1152 24.667 34.272 1.435 1.00 0.00 WT1 H ATOM 6438 H2 TIP3 1152 24.408 32.801 1.190 1.00 0.00 WT1 H ATOM 6439 OH2 TIP3 1153 36.378 44.961 49.026 1.00 0.00 WT1 O ATOM 6440 H1 TIP3 1153 37.245 44.791 48.657 1.00 0.00 WT1 H ATOM 6441 H2 TIP3 1153 36.418 45.870 49.324 1.00 0.00 WT1 H ATOM 6442 OH2 TIP3 1154 70.933 93.890 -2.751 1.00 0.00 WT1 O ATOM 6443 H1 TIP3 1154 70.422 94.286 -2.045 1.00 0.00 WT1 H ATOM 6444 H2 TIP3 1154 70.511 93.045 -2.907 1.00 0.00 WT1 H ATOM 6445 OH2 TIP3 1155 80.189 61.176 12.976 1.00 0.00 WT1 O ATOM 6446 H1 TIP3 1155 80.270 60.222 12.957 1.00 0.00 WT1 H ATOM 6447 H2 TIP3 1155 79.580 61.351 13.693 1.00 0.00 WT1 H ATOM 6448 OH2 TIP3 1156 38.037 31.104 8.389 1.00 0.00 WT1 O ATOM 6449 H1 TIP3 1156 38.272 31.961 8.031 1.00 0.00 WT1 H ATOM 6450 H2 TIP3 1156 37.707 31.294 9.267 1.00 0.00 WT1 H ATOM 6451 OH2 TIP3 1157 44.352 4.617 -4.681 1.00 0.00 WT1 O ATOM 6452 H1 TIP3 1157 44.124 5.527 -4.495 1.00 0.00 WT1 H ATOM 6453 H2 TIP3 1157 43.514 4.192 -4.864 1.00 0.00 WT1 H ATOM 6454 OH2 TIP3 1158 47.478 82.409 -7.443 1.00 0.00 WT1 O ATOM 6455 H1 TIP3 1158 47.195 82.418 -8.357 1.00 0.00 WT1 H ATOM 6456 H2 TIP3 1158 47.192 81.559 -7.111 1.00 0.00 WT1 H ATOM 6457 OH2 TIP3 1159 29.220 59.679 19.775 1.00 0.00 WT1 O ATOM 6458 H1 TIP3 1159 29.261 59.185 20.595 1.00 0.00 WT1 H ATOM 6459 H2 TIP3 1159 28.936 60.555 20.037 1.00 0.00 WT1 H ATOM 6460 OH2 TIP3 1160 47.849 36.695 24.959 1.00 0.00 WT1 O ATOM 6461 H1 TIP3 1160 48.647 36.601 24.439 1.00 0.00 WT1 H ATOM 6462 H2 TIP3 1160 47.816 35.902 25.494 1.00 0.00 WT1 H ATOM 6463 OH2 TIP3 1161 75.541 87.899 -18.611 1.00 0.00 WT1 O ATOM 6464 H1 TIP3 1161 75.014 88.671 -18.819 1.00 0.00 WT1 H ATOM 6465 H2 TIP3 1161 76.231 88.228 -18.034 1.00 0.00 WT1 H ATOM 6466 OH2 TIP3 1162 53.571 66.127 23.667 1.00 0.00 WT1 O ATOM 6467 H1 TIP3 1162 54.032 65.332 23.400 1.00 0.00 WT1 H ATOM 6468 H2 TIP3 1162 53.892 66.802 23.068 1.00 0.00 WT1 H ATOM 6469 OH2 TIP3 1163 56.441 20.653 55.337 1.00 0.00 WT1 O ATOM 6470 H1 TIP3 1163 56.886 21.323 55.856 1.00 0.00 WT1 H ATOM 6471 H2 TIP3 1163 56.421 21.010 54.449 1.00 0.00 WT1 H ATOM 6472 OH2 TIP3 1164 59.860 31.218 -16.936 1.00 0.00 WT1 O ATOM 6473 H1 TIP3 1164 59.637 32.069 -17.314 1.00 0.00 WT1 H ATOM 6474 H2 TIP3 1164 59.404 31.203 -16.094 1.00 0.00 WT1 H ATOM 6475 OH2 TIP3 1165 68.695 23.670 -7.439 1.00 0.00 WT1 O ATOM 6476 H1 TIP3 1165 69.424 24.096 -6.990 1.00 0.00 WT1 H ATOM 6477 H2 TIP3 1165 68.929 23.706 -8.367 1.00 0.00 WT1 H ATOM 6478 OH2 TIP3 1166 58.467 35.891 12.872 1.00 0.00 WT1 O ATOM 6479 H1 TIP3 1166 58.326 36.529 13.572 1.00 0.00 WT1 H ATOM 6480 H2 TIP3 1166 57.903 35.153 13.102 1.00 0.00 WT1 H ATOM 6481 OH2 TIP3 1167 37.266 93.106 27.299 1.00 0.00 WT1 O ATOM 6482 H1 TIP3 1167 37.186 92.407 27.948 1.00 0.00 WT1 H ATOM 6483 H2 TIP3 1167 36.777 92.786 26.541 1.00 0.00 WT1 H ATOM 6484 OH2 TIP3 1168 89.782 74.152 34.585 1.00 0.00 WT1 O ATOM 6485 H1 TIP3 1168 88.895 73.821 34.444 1.00 0.00 WT1 H ATOM 6486 H2 TIP3 1168 89.783 75.018 34.179 1.00 0.00 WT1 H ATOM 6487 OH2 TIP3 1169 31.440 70.048 -1.406 1.00 0.00 WT1 O ATOM 6488 H1 TIP3 1169 32.377 69.985 -1.221 1.00 0.00 WT1 H ATOM 6489 H2 TIP3 1169 31.022 70.007 -0.546 1.00 0.00 WT1 H ATOM 6490 OH2 TIP3 1170 40.048 37.317 47.719 1.00 0.00 WT1 O ATOM 6491 H1 TIP3 1170 40.808 37.488 48.275 1.00 0.00 WT1 H ATOM 6492 H2 TIP3 1170 40.215 36.453 47.342 1.00 0.00 WT1 H ATOM 6493 OH2 TIP3 1171 26.394 89.016 26.973 1.00 0.00 WT1 O ATOM 6494 H1 TIP3 1171 26.321 88.170 27.415 1.00 0.00 WT1 H ATOM 6495 H2 TIP3 1171 25.564 89.115 26.507 1.00 0.00 WT1 H ATOM 6496 OH2 TIP3 1172 27.240 51.889 35.292 1.00 0.00 WT1 O ATOM 6497 H1 TIP3 1172 28.122 52.239 35.413 1.00 0.00 WT1 H ATOM 6498 H2 TIP3 1172 27.215 51.610 34.377 1.00 0.00 WT1 H ATOM 6499 OH2 TIP3 1173 45.670 44.644 38.292 1.00 0.00 WT1 O ATOM 6500 H1 TIP3 1173 45.297 45.023 39.088 1.00 0.00 WT1 H ATOM 6501 H2 TIP3 1173 45.664 43.700 38.449 1.00 0.00 WT1 H ATOM 6502 OH2 TIP3 1174 44.643 55.341 7.822 1.00 0.00 WT1 O ATOM 6503 H1 TIP3 1174 45.287 55.516 8.508 1.00 0.00 WT1 H ATOM 6504 H2 TIP3 1174 45.084 54.734 7.228 1.00 0.00 WT1 H ATOM 6505 OH2 TIP3 1175 82.447 77.736 19.516 1.00 0.00 WT1 O ATOM 6506 H1 TIP3 1175 81.784 77.833 18.833 1.00 0.00 WT1 H ATOM 6507 H2 TIP3 1175 81.981 77.330 20.247 1.00 0.00 WT1 H ATOM 6508 OH2 TIP3 1176 31.203 61.227 39.507 1.00 0.00 WT1 O ATOM 6509 H1 TIP3 1176 30.880 62.001 39.045 1.00 0.00 WT1 H ATOM 6510 H2 TIP3 1176 32.031 61.508 39.896 1.00 0.00 WT1 H ATOM 6511 OH2 TIP3 1177 72.115 45.805 52.025 1.00 0.00 WT1 O ATOM 6512 H1 TIP3 1177 72.082 44.889 51.750 1.00 0.00 WT1 H ATOM 6513 H2 TIP3 1177 71.376 45.903 52.625 1.00 0.00 WT1 H ATOM 6514 OH2 TIP3 1178 31.514 93.227 36.495 1.00 0.00 WT1 O ATOM 6515 H1 TIP3 1178 31.272 94.038 36.049 1.00 0.00 WT1 H ATOM 6516 H2 TIP3 1178 32.469 93.253 36.541 1.00 0.00 WT1 H ATOM 6517 OH2 TIP3 1179 22.437 49.030 48.485 1.00 0.00 WT1 O ATOM 6518 H1 TIP3 1179 22.170 49.184 49.391 1.00 0.00 WT1 H ATOM 6519 H2 TIP3 1179 22.917 48.203 48.513 1.00 0.00 WT1 H ATOM 6520 OH2 TIP3 1180 52.502 17.931 39.972 1.00 0.00 WT1 O ATOM 6521 H1 TIP3 1180 52.333 18.194 40.877 1.00 0.00 WT1 H ATOM 6522 H2 TIP3 1180 51.642 17.951 39.552 1.00 0.00 WT1 H ATOM 6523 OH2 TIP3 1181 90.839 80.454 40.763 1.00 0.00 WT1 O ATOM 6524 H1 TIP3 1181 89.955 80.405 40.399 1.00 0.00 WT1 H ATOM 6525 H2 TIP3 1181 90.763 81.064 41.497 1.00 0.00 WT1 H ATOM 6526 OH2 TIP3 1182 84.274 57.778 49.145 1.00 0.00 WT1 O ATOM 6527 H1 TIP3 1182 84.129 58.468 49.792 1.00 0.00 WT1 H ATOM 6528 H2 TIP3 1182 83.532 57.854 48.544 1.00 0.00 WT1 H ATOM 6529 OH2 TIP3 1183 84.444 76.183 65.653 1.00 0.00 WT1 O ATOM 6530 H1 TIP3 1183 83.924 76.986 65.624 1.00 0.00 WT1 H ATOM 6531 H2 TIP3 1183 83.821 75.502 65.907 1.00 0.00 WT1 H ATOM 6532 OH2 TIP3 1184 76.205 95.438 36.120 1.00 0.00 WT1 O ATOM 6533 H1 TIP3 1184 75.267 95.607 36.033 1.00 0.00 WT1 H ATOM 6534 H2 TIP3 1184 76.277 94.483 36.125 1.00 0.00 WT1 H ATOM 6535 OH2 TIP3 1185 58.505 79.639 47.339 1.00 0.00 WT1 O ATOM 6536 H1 TIP3 1185 57.750 80.029 47.780 1.00 0.00 WT1 H ATOM 6537 H2 TIP3 1185 58.132 78.957 46.781 1.00 0.00 WT1 H ATOM 6538 OH2 TIP3 1186 84.747 10.160 -8.910 1.00 0.00 WT1 O ATOM 6539 H1 TIP3 1186 85.092 9.296 -8.689 1.00 0.00 WT1 H ATOM 6540 H2 TIP3 1186 84.150 10.371 -8.192 1.00 0.00 WT1 H ATOM 6541 OH2 TIP3 1188 76.522 87.700 -8.283 1.00 0.00 WT1 O ATOM 6542 H1 TIP3 1188 76.928 86.840 -8.176 1.00 0.00 WT1 H ATOM 6543 H2 TIP3 1188 76.789 87.984 -9.157 1.00 0.00 WT1 H ATOM 6544 OH2 TIP3 1189 56.391 42.744 42.628 1.00 0.00 WT1 O ATOM 6545 H1 TIP3 1189 55.661 42.125 42.636 1.00 0.00 WT1 H ATOM 6546 H2 TIP3 1189 57.127 42.242 42.277 1.00 0.00 WT1 H ATOM 6547 OH2 TIP3 1190 43.707 46.050 39.666 1.00 0.00 WT1 O ATOM 6548 H1 TIP3 1190 43.005 45.673 39.137 1.00 0.00 WT1 H ATOM 6549 H2 TIP3 1190 43.788 46.951 39.351 1.00 0.00 WT1 H ATOM 6550 OH2 TIP3 1191 61.620 15.594 32.308 1.00 0.00 WT1 O ATOM 6551 H1 TIP3 1191 62.059 15.677 33.154 1.00 0.00 WT1 H ATOM 6552 H2 TIP3 1191 60.756 15.239 32.519 1.00 0.00 WT1 H ATOM 6553 OH2 TIP3 1192 39.117 4.201 49.165 1.00 0.00 WT1 O ATOM 6554 H1 TIP3 1192 38.425 4.496 49.757 1.00 0.00 WT1 H ATOM 6555 H2 TIP3 1192 39.539 3.478 49.629 1.00 0.00 WT1 H ATOM 6556 OH2 TIP3 1194 77.950 46.563 53.197 1.00 0.00 WT1 O ATOM 6557 H1 TIP3 1194 78.644 47.220 53.145 1.00 0.00 WT1 H ATOM 6558 H2 TIP3 1194 77.878 46.220 52.306 1.00 0.00 WT1 H ATOM 6559 OH2 TIP3 1195 41.238 89.595 -11.521 1.00 0.00 WT1 O ATOM 6560 H1 TIP3 1195 41.743 88.910 -11.083 1.00 0.00 WT1 H ATOM 6561 H2 TIP3 1195 41.401 89.455 -12.454 1.00 0.00 WT1 H ATOM 6562 OH2 TIP3 1196 59.246 21.118 24.905 1.00 0.00 WT1 O ATOM 6563 H1 TIP3 1196 58.493 21.644 25.175 1.00 0.00 WT1 H ATOM 6564 H2 TIP3 1196 58.995 20.217 25.112 1.00 0.00 WT1 H ATOM 6565 OH2 TIP3 1197 27.295 49.875 27.677 1.00 0.00 WT1 O ATOM 6566 H1 TIP3 1197 27.756 50.610 28.083 1.00 0.00 WT1 H ATOM 6567 H2 TIP3 1197 27.983 49.376 27.235 1.00 0.00 WT1 H ATOM 6568 OH2 TIP3 1198 65.114 25.839 33.627 1.00 0.00 WT1 O ATOM 6569 H1 TIP3 1198 64.657 25.366 32.931 1.00 0.00 WT1 H ATOM 6570 H2 TIP3 1198 65.787 26.344 33.172 1.00 0.00 WT1 H ATOM 6571 OH2 TIP3 1199 63.329 60.990 23.804 1.00 0.00 WT1 O ATOM 6572 H1 TIP3 1199 63.299 61.046 22.849 1.00 0.00 WT1 H ATOM 6573 H2 TIP3 1199 62.414 60.887 24.067 1.00 0.00 WT1 H ATOM 6574 OH2 TIP3 1200 66.354 37.286 -10.745 1.00 0.00 WT1 O ATOM 6575 H1 TIP3 1200 65.647 37.456 -10.123 1.00 0.00 WT1 H ATOM 6576 H2 TIP3 1200 66.483 38.121 -11.195 1.00 0.00 WT1 H ATOM 6577 OH2 TIP3 1201 54.516 39.990 2.439 1.00 0.00 WT1 O ATOM 6578 H1 TIP3 1201 55.123 39.608 3.073 1.00 0.00 WT1 H ATOM 6579 H2 TIP3 1201 53.648 39.792 2.789 1.00 0.00 WT1 H ATOM 6580 OH2 TIP3 1202 86.071 30.504 60.179 1.00 0.00 WT1 O ATOM 6581 H1 TIP3 1202 86.281 29.818 59.546 1.00 0.00 WT1 H ATOM 6582 H2 TIP3 1202 86.684 30.361 60.900 1.00 0.00 WT1 H ATOM 6583 OH2 TIP3 1203 67.825 30.543 55.659 1.00 0.00 WT1 O ATOM 6584 H1 TIP3 1203 66.891 30.691 55.515 1.00 0.00 WT1 H ATOM 6585 H2 TIP3 1203 68.258 31.235 55.160 1.00 0.00 WT1 H ATOM 6586 OH2 TIP3 1204 41.023 82.940 31.783 1.00 0.00 WT1 O ATOM 6587 H1 TIP3 1204 41.077 83.507 31.014 1.00 0.00 WT1 H ATOM 6588 H2 TIP3 1204 41.107 82.053 31.434 1.00 0.00 WT1 H ATOM 6589 OH2 TIP3 1205 49.667 49.852 -6.949 1.00 0.00 WT1 O ATOM 6590 H1 TIP3 1205 50.540 50.242 -6.901 1.00 0.00 WT1 H ATOM 6591 H2 TIP3 1205 49.096 50.573 -7.215 1.00 0.00 WT1 H ATOM 6592 OH2 TIP3 1206 33.347 90.204 30.347 1.00 0.00 WT1 O ATOM 6593 H1 TIP3 1206 32.731 89.716 30.893 1.00 0.00 WT1 H ATOM 6594 H2 TIP3 1206 32.800 90.618 29.680 1.00 0.00 WT1 H ATOM 6595 OH2 TIP3 1207 21.780 82.449 64.075 1.00 0.00 WT1 O ATOM 6596 H1 TIP3 1207 22.654 82.790 64.262 1.00 0.00 WT1 H ATOM 6597 H2 TIP3 1207 21.669 81.724 64.690 1.00 0.00 WT1 H ATOM 6598 OH2 TIP3 1208 61.798 31.291 29.327 1.00 0.00 WT1 O ATOM 6599 H1 TIP3 1208 61.221 31.575 30.036 1.00 0.00 WT1 H ATOM 6600 H2 TIP3 1208 61.229 31.240 28.560 1.00 0.00 WT1 H ATOM 6601 OH2 TIP3 1209 71.736 30.949 18.858 1.00 0.00 WT1 O ATOM 6602 H1 TIP3 1209 71.539 31.544 19.581 1.00 0.00 WT1 H ATOM 6603 H2 TIP3 1209 72.553 31.281 18.488 1.00 0.00 WT1 H ATOM 6604 OH2 TIP3 1210 31.155 54.908 13.146 1.00 0.00 WT1 O ATOM 6605 H1 TIP3 1210 30.990 55.266 12.274 1.00 0.00 WT1 H ATOM 6606 H2 TIP3 1210 31.707 54.141 12.990 1.00 0.00 WT1 H ATOM 6607 OH2 TIP3 1211 68.049 38.094 2.629 1.00 0.00 WT1 O ATOM 6608 H1 TIP3 1211 68.088 38.151 3.584 1.00 0.00 WT1 H ATOM 6609 H2 TIP3 1211 68.851 38.523 2.331 1.00 0.00 WT1 H ATOM 6610 OH2 TIP3 1212 44.978 13.530 24.982 1.00 0.00 WT1 O ATOM 6611 H1 TIP3 1212 44.714 13.654 24.071 1.00 0.00 WT1 H ATOM 6612 H2 TIP3 1212 45.853 13.146 24.928 1.00 0.00 WT1 H ATOM 6613 OH2 TIP3 1213 68.554 46.193 39.914 1.00 0.00 WT1 O ATOM 6614 H1 TIP3 1213 68.888 46.174 39.017 1.00 0.00 WT1 H ATOM 6615 H2 TIP3 1213 67.804 46.787 39.879 1.00 0.00 WT1 H ATOM 6616 OH2 TIP3 1214 73.440 51.485 41.717 1.00 0.00 WT1 O ATOM 6617 H1 TIP3 1214 73.745 52.387 41.624 1.00 0.00 WT1 H ATOM 6618 H2 TIP3 1214 72.637 51.447 41.197 1.00 0.00 WT1 H ATOM 6619 OH2 TIP3 1215 41.435 61.822 39.887 1.00 0.00 WT1 O ATOM 6620 H1 TIP3 1215 41.771 62.081 40.745 1.00 0.00 WT1 H ATOM 6621 H2 TIP3 1215 40.964 62.593 39.571 1.00 0.00 WT1 H ATOM 6622 OH2 TIP3 1216 84.306 61.707 27.857 1.00 0.00 WT1 O ATOM 6623 H1 TIP3 1216 83.723 61.739 27.098 1.00 0.00 WT1 H ATOM 6624 H2 TIP3 1216 85.009 61.113 27.595 1.00 0.00 WT1 H ATOM 6625 OH2 TIP3 1217 32.924 11.042 30.710 1.00 0.00 WT1 O ATOM 6626 H1 TIP3 1217 31.994 11.068 30.937 1.00 0.00 WT1 H ATOM 6627 H2 TIP3 1217 33.129 11.937 30.438 1.00 0.00 WT1 H ATOM 6628 OH2 TIP3 1218 52.709 43.797 42.302 1.00 0.00 WT1 O ATOM 6629 H1 TIP3 1218 53.419 44.062 41.718 1.00 0.00 WT1 H ATOM 6630 H2 TIP3 1218 51.910 44.042 41.836 1.00 0.00 WT1 H ATOM 6631 OH2 TIP3 1219 27.182 54.572 62.782 1.00 0.00 WT1 O ATOM 6632 H1 TIP3 1219 26.584 53.825 62.790 1.00 0.00 WT1 H ATOM 6633 H2 TIP3 1219 26.614 55.336 62.881 1.00 0.00 WT1 H ATOM 6634 OH2 TIP3 1220 24.366 91.968 24.532 1.00 0.00 WT1 O ATOM 6635 H1 TIP3 1220 23.524 92.016 24.079 1.00 0.00 WT1 H ATOM 6636 H2 TIP3 1220 24.293 91.197 25.094 1.00 0.00 WT1 H ATOM 6637 OH2 TIP3 1221 52.095 40.841 52.656 1.00 0.00 WT1 O ATOM 6638 H1 TIP3 1221 51.953 40.791 51.710 1.00 0.00 WT1 H ATOM 6639 H2 TIP3 1221 51.299 40.470 53.037 1.00 0.00 WT1 H ATOM 6640 OH2 TIP3 1222 55.177 41.380 46.637 1.00 0.00 WT1 O ATOM 6641 H1 TIP3 1222 55.246 41.419 47.591 1.00 0.00 WT1 H ATOM 6642 H2 TIP3 1222 54.863 42.248 46.384 1.00 0.00 WT1 H ATOM 6643 OH2 TIP3 1223 42.284 40.581 -18.754 1.00 0.00 WT1 O ATOM 6644 H1 TIP3 1223 41.489 40.589 -18.220 1.00 0.00 WT1 H ATOM 6645 H2 TIP3 1223 42.872 39.978 -18.299 1.00 0.00 WT1 H ATOM 6646 OH2 TIP3 1224 40.077 35.388 -5.127 1.00 0.00 WT1 O ATOM 6647 H1 TIP3 1224 40.740 34.784 -5.462 1.00 0.00 WT1 H ATOM 6648 H2 TIP3 1224 40.542 35.918 -4.480 1.00 0.00 WT1 H ATOM 6649 OH2 TIP3 1225 33.446 13.221 -13.065 1.00 0.00 WT1 O ATOM 6650 H1 TIP3 1225 32.506 13.061 -13.147 1.00 0.00 WT1 H ATOM 6651 H2 TIP3 1225 33.636 13.065 -12.140 1.00 0.00 WT1 H ATOM 6652 OH2 TIP3 1226 31.688 42.213 63.381 1.00 0.00 WT1 O ATOM 6653 H1 TIP3 1226 30.958 42.384 63.976 1.00 0.00 WT1 H ATOM 6654 H2 TIP3 1226 31.643 41.272 63.209 1.00 0.00 WT1 H ATOM 6655 OH2 TIP3 1227 71.791 51.903 60.441 1.00 0.00 WT1 O ATOM 6656 H1 TIP3 1227 71.485 51.267 59.794 1.00 0.00 WT1 H ATOM 6657 H2 TIP3 1227 71.628 52.754 60.035 1.00 0.00 WT1 H ATOM 6658 OH2 TIP3 1228 44.743 36.846 51.496 1.00 0.00 WT1 O ATOM 6659 H1 TIP3 1228 45.028 37.626 51.972 1.00 0.00 WT1 H ATOM 6660 H2 TIP3 1228 44.704 37.124 50.581 1.00 0.00 WT1 H ATOM 6661 OH2 TIP3 1229 49.881 33.449 20.845 1.00 0.00 WT1 O ATOM 6662 H1 TIP3 1229 49.309 33.262 21.590 1.00 0.00 WT1 H ATOM 6663 H2 TIP3 1229 50.229 34.322 21.023 1.00 0.00 WT1 H ATOM 6664 OH2 TIP3 1230 87.578 46.182 10.104 1.00 0.00 WT1 O ATOM 6665 H1 TIP3 1230 87.531 46.716 10.897 1.00 0.00 WT1 H ATOM 6666 H2 TIP3 1230 86.858 46.500 9.558 1.00 0.00 WT1 H ATOM 6667 OH2 TIP3 1231 47.458 85.008 -6.500 1.00 0.00 WT1 O ATOM 6668 H1 TIP3 1231 46.529 85.117 -6.301 1.00 0.00 WT1 H ATOM 6669 H2 TIP3 1231 47.524 84.127 -6.867 1.00 0.00 WT1 H ATOM 6670 OH2 TIP3 1233 42.215 38.081 42.522 1.00 0.00 WT1 O ATOM 6671 H1 TIP3 1233 42.512 38.266 43.413 1.00 0.00 WT1 H ATOM 6672 H2 TIP3 1233 42.207 38.936 42.090 1.00 0.00 WT1 H ATOM 6673 OH2 TIP3 1234 90.693 33.526 39.067 1.00 0.00 WT1 O ATOM 6674 H1 TIP3 1234 90.808 33.990 39.896 1.00 0.00 WT1 H ATOM 6675 H2 TIP3 1234 89.744 33.470 38.953 1.00 0.00 WT1 H ATOM 6676 OH2 TIP3 1235 52.739 68.316 56.262 1.00 0.00 WT1 O ATOM 6677 H1 TIP3 1235 51.845 68.639 56.382 1.00 0.00 WT1 H ATOM 6678 H2 TIP3 1235 53.148 68.954 55.678 1.00 0.00 WT1 H ATOM 6679 OH2 TIP3 1236 72.185 59.312 37.160 1.00 0.00 WT1 O ATOM 6680 H1 TIP3 1236 71.960 59.942 36.475 1.00 0.00 WT1 H ATOM 6681 H2 TIP3 1236 71.556 58.599 37.047 1.00 0.00 WT1 H ATOM 6682 OH2 TIP3 1237 20.626 34.655 28.753 1.00 0.00 WT1 O ATOM 6683 H1 TIP3 1237 21.048 35.121 29.476 1.00 0.00 WT1 H ATOM 6684 H2 TIP3 1237 21.145 34.887 27.983 1.00 0.00 WT1 H ATOM 6685 OH2 TIP3 1238 63.355 33.669 36.396 1.00 0.00 WT1 O ATOM 6686 H1 TIP3 1238 64.172 33.446 35.949 1.00 0.00 WT1 H ATOM 6687 H2 TIP3 1238 63.279 34.618 36.298 1.00 0.00 WT1 H ATOM 6688 OH2 TIP3 1239 57.156 46.612 32.083 1.00 0.00 WT1 O ATOM 6689 H1 TIP3 1239 57.181 47.451 31.624 1.00 0.00 WT1 H ATOM 6690 H2 TIP3 1239 56.855 45.986 31.425 1.00 0.00 WT1 H ATOM 6691 OH2 TIP3 1240 24.154 72.702 -10.689 1.00 0.00 WT1 O ATOM 6692 H1 TIP3 1240 24.982 72.231 -10.778 1.00 0.00 WT1 H ATOM 6693 H2 TIP3 1240 23.943 72.643 -9.757 1.00 0.00 WT1 H ATOM 6694 OH2 TIP3 1242 49.242 85.980 28.306 1.00 0.00 WT1 O ATOM 6695 H1 TIP3 1242 49.265 86.141 27.363 1.00 0.00 WT1 H ATOM 6696 H2 TIP3 1242 49.886 85.286 28.447 1.00 0.00 WT1 H ATOM 6697 OH2 TIP3 1243 54.399 75.128 33.161 1.00 0.00 WT1 O ATOM 6698 H1 TIP3 1243 54.895 74.327 33.333 1.00 0.00 WT1 H ATOM 6699 H2 TIP3 1243 53.606 75.038 33.690 1.00 0.00 WT1 H ATOM 6700 OH2 TIP3 1244 81.053 40.879 -3.935 1.00 0.00 WT1 O ATOM 6701 H1 TIP3 1244 80.739 41.606 -3.398 1.00 0.00 WT1 H ATOM 6702 H2 TIP3 1244 81.995 41.028 -4.013 1.00 0.00 WT1 H ATOM 6703 OH2 TIP3 1245 24.768 36.583 44.266 1.00 0.00 WT1 O ATOM 6704 H1 TIP3 1245 25.688 36.833 44.349 1.00 0.00 WT1 H ATOM 6705 H2 TIP3 1245 24.294 37.239 44.777 1.00 0.00 WT1 H ATOM 6706 OH2 TIP3 1246 79.437 48.465 56.185 1.00 0.00 WT1 O ATOM 6707 H1 TIP3 1246 78.698 49.024 55.944 1.00 0.00 WT1 H ATOM 6708 H2 TIP3 1246 79.397 48.412 57.140 1.00 0.00 WT1 H ATOM 6709 OH2 TIP3 1247 85.116 53.944 20.125 1.00 0.00 WT1 O ATOM 6710 H1 TIP3 1247 85.700 53.257 19.805 1.00 0.00 WT1 H ATOM 6711 H2 TIP3 1247 84.239 53.646 19.883 1.00 0.00 WT1 H ATOM 6712 OH2 TIP3 1248 36.948 61.855 64.834 1.00 0.00 WT1 O ATOM 6713 H1 TIP3 1248 36.047 61.650 65.085 1.00 0.00 WT1 H ATOM 6714 H2 TIP3 1248 37.194 61.156 64.228 1.00 0.00 WT1 H ATOM 6715 OH2 TIP3 1249 26.101 54.701 13.376 1.00 0.00 WT1 O ATOM 6716 H1 TIP3 1249 26.173 55.456 13.960 1.00 0.00 WT1 H ATOM 6717 H2 TIP3 1249 25.978 53.955 13.963 1.00 0.00 WT1 H ATOM 6718 OH2 TIP3 1250 77.311 6.226 35.198 1.00 0.00 WT1 O ATOM 6719 H1 TIP3 1250 77.237 7.179 35.260 1.00 0.00 WT1 H ATOM 6720 H2 TIP3 1250 78.139 6.079 34.741 1.00 0.00 WT1 H ATOM 6721 OH2 TIP3 1253 82.888 93.193 53.195 1.00 0.00 WT1 O ATOM 6722 H1 TIP3 1253 83.274 93.998 53.539 1.00 0.00 WT1 H ATOM 6723 H2 TIP3 1253 83.158 93.170 52.277 1.00 0.00 WT1 H ATOM 6724 OH2 TIP3 1254 24.378 16.492 -19.003 1.00 0.00 WT1 O ATOM 6725 H1 TIP3 1254 24.378 17.166 -19.683 1.00 0.00 WT1 H ATOM 6726 H2 TIP3 1254 25.066 15.882 -19.270 1.00 0.00 WT1 H ATOM 6727 OH2 TIP3 1255 85.019 44.987 30.017 1.00 0.00 WT1 O ATOM 6728 H1 TIP3 1255 85.099 44.088 29.698 1.00 0.00 WT1 H ATOM 6729 H2 TIP3 1255 84.093 45.081 30.240 1.00 0.00 WT1 H ATOM 6730 OH2 TIP3 1256 36.059 59.930 61.032 1.00 0.00 WT1 O ATOM 6731 H1 TIP3 1256 36.476 60.754 61.285 1.00 0.00 WT1 H ATOM 6732 H2 TIP3 1256 35.265 60.195 60.568 1.00 0.00 WT1 H ATOM 6733 OH2 TIP3 1257 28.814 41.433 22.120 1.00 0.00 WT1 O ATOM 6734 H1 TIP3 1257 29.031 42.096 22.775 1.00 0.00 WT1 H ATOM 6735 H2 TIP3 1257 28.748 41.919 21.298 1.00 0.00 WT1 H ATOM 6736 OH2 TIP3 1258 25.631 53.650 20.459 1.00 0.00 WT1 O ATOM 6737 H1 TIP3 1258 25.911 54.385 19.913 1.00 0.00 WT1 H ATOM 6738 H2 TIP3 1258 26.070 52.889 20.080 1.00 0.00 WT1 H ATOM 6739 OH2 TIP3 1259 24.578 3.799 2.651 1.00 0.00 WT1 O ATOM 6740 H1 TIP3 1259 24.737 2.908 2.961 1.00 0.00 WT1 H ATOM 6741 H2 TIP3 1259 24.326 3.693 1.734 1.00 0.00 WT1 H ATOM 6742 OH2 TIP3 1260 36.003 44.763 5.444 1.00 0.00 WT1 O ATOM 6743 H1 TIP3 1260 35.743 44.945 4.541 1.00 0.00 WT1 H ATOM 6744 H2 TIP3 1260 36.655 45.434 5.645 1.00 0.00 WT1 H ATOM 6745 OH2 TIP3 1261 77.593 44.785 56.817 1.00 0.00 WT1 O ATOM 6746 H1 TIP3 1261 76.897 45.295 56.401 1.00 0.00 WT1 H ATOM 6747 H2 TIP3 1261 78.087 44.414 56.086 1.00 0.00 WT1 H ATOM 6748 OH2 TIP3 1262 59.252 10.894 54.639 1.00 0.00 WT1 O ATOM 6749 H1 TIP3 1262 59.905 10.857 55.338 1.00 0.00 WT1 H ATOM 6750 H2 TIP3 1262 59.604 10.328 53.952 1.00 0.00 WT1 H ATOM 6751 OH2 TIP3 1263 29.796 18.350 30.120 1.00 0.00 WT1 O ATOM 6752 H1 TIP3 1263 30.050 18.750 30.952 1.00 0.00 WT1 H ATOM 6753 H2 TIP3 1263 29.283 17.581 30.371 1.00 0.00 WT1 H ATOM 6754 OH2 TIP3 1264 56.604 42.652 -4.172 1.00 0.00 WT1 O ATOM 6755 H1 TIP3 1264 55.995 42.523 -3.444 1.00 0.00 WT1 H ATOM 6756 H2 TIP3 1264 56.799 43.589 -4.157 1.00 0.00 WT1 H ATOM 6757 OH2 TIP3 1265 24.967 92.169 53.859 1.00 0.00 WT1 O ATOM 6758 H1 TIP3 1265 24.114 91.756 53.993 1.00 0.00 WT1 H ATOM 6759 H2 TIP3 1265 25.582 91.437 53.803 1.00 0.00 WT1 H ATOM 6760 OH2 TIP3 1266 90.557 57.898 29.283 1.00 0.00 WT1 O ATOM 6761 H1 TIP3 1266 91.033 58.051 28.467 1.00 0.00 WT1 H ATOM 6762 H2 TIP3 1266 89.959 58.642 29.356 1.00 0.00 WT1 H ATOM 6763 OH2 TIP3 1267 70.416 45.393 44.254 1.00 0.00 WT1 O ATOM 6764 H1 TIP3 1267 70.451 44.474 44.519 1.00 0.00 WT1 H ATOM 6765 H2 TIP3 1267 71.235 45.537 43.780 1.00 0.00 WT1 H ATOM 6766 OH2 TIP3 1268 38.535 37.484 -9.921 1.00 0.00 WT1 O ATOM 6767 H1 TIP3 1268 37.656 37.344 -9.569 1.00 0.00 WT1 H ATOM 6768 H2 TIP3 1268 38.434 38.207 -10.540 1.00 0.00 WT1 H ATOM 6769 OH2 TIP3 1269 59.307 65.125 -19.559 1.00 0.00 WT1 O ATOM 6770 H1 TIP3 1269 58.512 64.594 -19.603 1.00 0.00 WT1 H ATOM 6771 H2 TIP3 1269 59.261 65.556 -18.706 1.00 0.00 WT1 H ATOM 6772 OH2 TIP3 1270 55.111 4.025 58.424 1.00 0.00 WT1 O ATOM 6773 H1 TIP3 1270 54.719 4.673 59.009 1.00 0.00 WT1 H ATOM 6774 H2 TIP3 1270 54.697 4.186 57.576 1.00 0.00 WT1 H ATOM 6775 OH2 TIP3 1271 57.278 30.572 66.408 1.00 0.00 WT1 O ATOM 6776 H1 TIP3 1271 57.130 30.845 65.502 1.00 0.00 WT1 H ATOM 6777 H2 TIP3 1271 57.362 31.392 66.895 1.00 0.00 WT1 H ATOM 6778 OH2 TIP3 1272 32.678 13.200 26.545 1.00 0.00 WT1 O ATOM 6779 H1 TIP3 1272 33.013 12.435 26.077 1.00 0.00 WT1 H ATOM 6780 H2 TIP3 1272 33.138 13.942 26.154 1.00 0.00 WT1 H ATOM 6781 OH2 TIP3 1273 72.955 63.621 -5.227 1.00 0.00 WT1 O ATOM 6782 H1 TIP3 1273 72.042 63.350 -5.135 1.00 0.00 WT1 H ATOM 6783 H2 TIP3 1273 73.441 62.802 -5.315 1.00 0.00 WT1 H ATOM 6784 OH2 TIP3 1274 40.289 58.551 7.283 1.00 0.00 WT1 O ATOM 6785 H1 TIP3 1274 40.489 58.196 8.149 1.00 0.00 WT1 H ATOM 6786 H2 TIP3 1274 41.062 58.351 6.756 1.00 0.00 WT1 H ATOM 6787 OH2 TIP3 1275 86.003 29.879 57.231 1.00 0.00 WT1 O ATOM 6788 H1 TIP3 1275 86.825 30.177 56.841 1.00 0.00 WT1 H ATOM 6789 H2 TIP3 1275 85.378 30.578 57.038 1.00 0.00 WT1 H ATOM 6790 OH2 TIP3 1276 23.942 70.683 59.399 1.00 0.00 WT1 O ATOM 6791 H1 TIP3 1276 24.669 71.057 58.901 1.00 0.00 WT1 H ATOM 6792 H2 TIP3 1276 23.231 71.314 59.296 1.00 0.00 WT1 H ATOM 6793 OH2 TIP3 1277 77.384 90.813 32.587 1.00 0.00 WT1 O ATOM 6794 H1 TIP3 1277 76.433 90.704 32.580 1.00 0.00 WT1 H ATOM 6795 H2 TIP3 1277 77.602 91.070 31.691 1.00 0.00 WT1 H ATOM 6796 OH2 TIP3 1278 63.862 20.047 60.237 1.00 0.00 WT1 O ATOM 6797 H1 TIP3 1278 62.928 20.055 60.028 1.00 0.00 WT1 H ATOM 6798 H2 TIP3 1278 63.998 19.219 60.698 1.00 0.00 WT1 H ATOM 6799 OH2 TIP3 1279 49.393 12.231 29.661 1.00 0.00 WT1 O ATOM 6800 H1 TIP3 1279 49.651 12.052 28.757 1.00 0.00 WT1 H ATOM 6801 H2 TIP3 1279 50.083 11.831 30.191 1.00 0.00 WT1 H ATOM 6802 OH2 TIP3 1281 52.452 45.973 35.611 1.00 0.00 WT1 O ATOM 6803 H1 TIP3 1281 52.758 45.334 34.967 1.00 0.00 WT1 H ATOM 6804 H2 TIP3 1281 53.244 46.244 36.075 1.00 0.00 WT1 H ATOM 6805 OH2 TIP3 1282 64.279 26.772 24.824 1.00 0.00 WT1 O ATOM 6806 H1 TIP3 1282 63.366 26.574 24.616 1.00 0.00 WT1 H ATOM 6807 H2 TIP3 1282 64.734 25.935 24.730 1.00 0.00 WT1 H ATOM 6808 OH2 TIP3 1283 20.846 28.508 -4.131 1.00 0.00 WT1 O ATOM 6809 H1 TIP3 1283 21.265 28.023 -3.419 1.00 0.00 WT1 H ATOM 6810 H2 TIP3 1283 20.213 29.077 -3.694 1.00 0.00 WT1 H ATOM 6811 OH2 TIP3 1284 27.046 68.670 -17.371 1.00 0.00 WT1 O ATOM 6812 H1 TIP3 1284 27.969 68.620 -17.622 1.00 0.00 WT1 H ATOM 6813 H2 TIP3 1284 27.050 68.564 -16.420 1.00 0.00 WT1 H ATOM 6814 OH2 TIP3 1285 89.045 50.664 31.885 1.00 0.00 WT1 O ATOM 6815 H1 TIP3 1285 88.959 51.327 31.201 1.00 0.00 WT1 H ATOM 6816 H2 TIP3 1285 88.144 50.446 32.123 1.00 0.00 WT1 H ATOM 6817 OH2 TIP3 1286 88.674 76.811 -14.540 1.00 0.00 WT1 O ATOM 6818 H1 TIP3 1286 88.767 76.293 -13.741 1.00 0.00 WT1 H ATOM 6819 H2 TIP3 1286 87.830 76.541 -14.904 1.00 0.00 WT1 H ATOM 6820 OH2 TIP3 1287 90.293 63.999 47.022 1.00 0.00 WT1 O ATOM 6821 H1 TIP3 1287 90.505 63.927 46.092 1.00 0.00 WT1 H ATOM 6822 H2 TIP3 1287 90.647 64.850 47.283 1.00 0.00 WT1 H ATOM 6823 OH2 TIP3 1288 28.094 64.473 14.699 1.00 0.00 WT1 O ATOM 6824 H1 TIP3 1288 27.707 63.812 15.273 1.00 0.00 WT1 H ATOM 6825 H2 TIP3 1288 28.948 64.659 15.089 1.00 0.00 WT1 H ATOM 6826 OH2 TIP3 1289 58.473 77.932 -2.976 1.00 0.00 WT1 O ATOM 6827 H1 TIP3 1289 58.810 77.040 -3.060 1.00 0.00 WT1 H ATOM 6828 H2 TIP3 1289 57.642 77.832 -2.511 1.00 0.00 WT1 H ATOM 6829 OH2 TIP3 1290 86.873 54.895 11.151 1.00 0.00 WT1 O ATOM 6830 H1 TIP3 1290 86.808 55.595 11.800 1.00 0.00 WT1 H ATOM 6831 H2 TIP3 1290 87.568 54.325 11.481 1.00 0.00 WT1 H ATOM 6832 OH2 TIP3 1291 34.790 81.696 12.421 1.00 0.00 WT1 O ATOM 6833 H1 TIP3 1291 35.596 81.440 12.869 1.00 0.00 WT1 H ATOM 6834 H2 TIP3 1291 35.013 81.666 11.490 1.00 0.00 WT1 H ATOM 6835 OH2 TIP3 1292 35.192 68.684 22.863 1.00 0.00 WT1 O ATOM 6836 H1 TIP3 1292 35.306 67.884 23.376 1.00 0.00 WT1 H ATOM 6837 H2 TIP3 1292 36.007 68.770 22.368 1.00 0.00 WT1 H ATOM 6838 OH2 TIP3 1293 47.185 55.972 18.911 1.00 0.00 WT1 O ATOM 6839 H1 TIP3 1293 47.250 55.358 18.179 1.00 0.00 WT1 H ATOM 6840 H2 TIP3 1293 47.790 55.626 19.568 1.00 0.00 WT1 H ATOM 6841 OH2 TIP3 1295 25.775 56.957 3.760 1.00 0.00 WT1 O ATOM 6842 H1 TIP3 1295 26.625 56.748 3.372 1.00 0.00 WT1 H ATOM 6843 H2 TIP3 1295 25.979 57.214 4.660 1.00 0.00 WT1 H ATOM 6844 OH2 TIP3 1296 72.902 60.622 8.482 1.00 0.00 WT1 O ATOM 6845 H1 TIP3 1296 73.129 61.436 8.031 1.00 0.00 WT1 H ATOM 6846 H2 TIP3 1296 72.012 60.426 8.190 1.00 0.00 WT1 H ATOM 6847 OH2 TIP3 1297 88.230 42.447 7.614 1.00 0.00 WT1 O ATOM 6848 H1 TIP3 1297 87.665 41.861 7.111 1.00 0.00 WT1 H ATOM 6849 H2 TIP3 1297 87.718 42.663 8.393 1.00 0.00 WT1 H ATOM 6850 OH2 TIP3 1298 86.672 26.137 -11.270 1.00 0.00 WT1 O ATOM 6851 H1 TIP3 1298 86.150 26.903 -11.509 1.00 0.00 WT1 H ATOM 6852 H2 TIP3 1298 86.094 25.617 -10.712 1.00 0.00 WT1 H ATOM 6853 OH2 TIP3 1299 68.125 58.739 37.061 1.00 0.00 WT1 O ATOM 6854 H1 TIP3 1299 67.222 58.776 36.744 1.00 0.00 WT1 H ATOM 6855 H2 TIP3 1299 68.611 59.312 36.468 1.00 0.00 WT1 H ATOM 6856 OH2 TIP3 1300 47.606 65.404 10.888 1.00 0.00 WT1 O ATOM 6857 H1 TIP3 1300 47.979 65.263 11.758 1.00 0.00 WT1 H ATOM 6858 H2 TIP3 1300 46.705 65.681 11.054 1.00 0.00 WT1 H ATOM 6859 OH2 TIP3 1301 28.195 21.142 33.278 1.00 0.00 WT1 O ATOM 6860 H1 TIP3 1301 28.155 21.414 32.361 1.00 0.00 WT1 H ATOM 6861 H2 TIP3 1301 27.291 20.915 33.500 1.00 0.00 WT1 H ATOM 6862 OH2 TIP3 1302 46.759 36.078 60.325 1.00 0.00 WT1 O ATOM 6863 H1 TIP3 1302 46.876 36.816 60.924 1.00 0.00 WT1 H ATOM 6864 H2 TIP3 1302 47.408 36.223 59.636 1.00 0.00 WT1 H ATOM 6865 OH2 TIP3 1303 40.594 10.992 61.234 1.00 0.00 WT1 O ATOM 6866 H1 TIP3 1303 39.802 10.868 60.712 1.00 0.00 WT1 H ATOM 6867 H2 TIP3 1303 40.274 11.183 62.115 1.00 0.00 WT1 H ATOM 6868 OH2 TIP3 1304 60.329 55.518 -8.828 1.00 0.00 WT1 O ATOM 6869 H1 TIP3 1304 59.762 55.788 -8.105 1.00 0.00 WT1 H ATOM 6870 H2 TIP3 1304 60.336 56.270 -9.421 1.00 0.00 WT1 H ATOM 6871 OH2 TIP3 1305 25.592 20.493 -9.374 1.00 0.00 WT1 O ATOM 6872 H1 TIP3 1305 25.508 20.914 -8.519 1.00 0.00 WT1 H ATOM 6873 H2 TIP3 1305 26.435 20.796 -9.709 1.00 0.00 WT1 H ATOM 6874 OH2 TIP3 1306 42.675 48.673 14.524 1.00 0.00 WT1 O ATOM 6875 H1 TIP3 1306 43.318 48.024 14.811 1.00 0.00 WT1 H ATOM 6876 H2 TIP3 1306 42.640 49.309 15.239 1.00 0.00 WT1 H ATOM 6877 OH2 TIP3 1307 29.417 23.716 -1.662 1.00 0.00 WT1 O ATOM 6878 H1 TIP3 1307 29.841 23.938 -2.491 1.00 0.00 WT1 H ATOM 6879 H2 TIP3 1307 29.235 22.778 -1.730 1.00 0.00 WT1 H ATOM 6880 OH2 TIP3 1308 77.044 38.408 -19.478 1.00 0.00 WT1 O ATOM 6881 H1 TIP3 1308 77.194 38.117 -20.377 1.00 0.00 WT1 H ATOM 6882 H2 TIP3 1308 76.477 39.175 -19.566 1.00 0.00 WT1 H ATOM 6883 OH2 TIP3 1309 66.001 15.524 15.080 1.00 0.00 WT1 O ATOM 6884 H1 TIP3 1309 65.217 15.996 14.801 1.00 0.00 WT1 H ATOM 6885 H2 TIP3 1309 65.799 14.604 14.915 1.00 0.00 WT1 H ATOM 6886 OH2 TIP3 1311 31.228 78.907 35.216 1.00 0.00 WT1 O ATOM 6887 H1 TIP3 1311 30.590 79.589 35.008 1.00 0.00 WT1 H ATOM 6888 H2 TIP3 1311 31.952 79.064 34.610 1.00 0.00 WT1 H ATOM 6889 OH2 TIP3 1312 86.525 7.901 -2.165 1.00 0.00 WT1 O ATOM 6890 H1 TIP3 1312 86.560 7.263 -1.452 1.00 0.00 WT1 H ATOM 6891 H2 TIP3 1312 85.881 8.548 -1.877 1.00 0.00 WT1 H ATOM 6892 OH2 TIP3 1313 85.325 1.781 41.843 1.00 0.00 WT1 O ATOM 6893 H1 TIP3 1313 85.887 1.971 41.092 1.00 0.00 WT1 H ATOM 6894 H2 TIP3 1313 84.995 0.898 41.679 1.00 0.00 WT1 H ATOM 6895 OH2 TIP3 1314 44.011 7.246 13.555 1.00 0.00 WT1 O ATOM 6896 H1 TIP3 1314 43.708 8.110 13.835 1.00 0.00 WT1 H ATOM 6897 H2 TIP3 1314 43.326 6.645 13.846 1.00 0.00 WT1 H ATOM 6898 OH2 TIP3 1315 80.322 71.776 31.164 1.00 0.00 WT1 O ATOM 6899 H1 TIP3 1315 80.026 71.122 31.798 1.00 0.00 WT1 H ATOM 6900 H2 TIP3 1315 80.940 71.305 30.605 1.00 0.00 WT1 H ATOM 6901 OH2 TIP3 1316 37.344 49.981 13.980 1.00 0.00 WT1 O ATOM 6902 H1 TIP3 1316 38.014 50.475 14.454 1.00 0.00 WT1 H ATOM 6903 H2 TIP3 1316 37.334 50.369 13.105 1.00 0.00 WT1 H ATOM 6904 OH2 TIP3 1317 38.077 37.573 37.670 1.00 0.00 WT1 O ATOM 6905 H1 TIP3 1317 37.435 37.553 36.960 1.00 0.00 WT1 H ATOM 6906 H2 TIP3 1317 38.641 38.318 37.463 1.00 0.00 WT1 H ATOM 6907 OH2 TIP3 1319 58.760 65.602 35.831 1.00 0.00 WT1 O ATOM 6908 H1 TIP3 1319 58.123 66.109 35.328 1.00 0.00 WT1 H ATOM 6909 H2 TIP3 1319 58.374 64.728 35.895 1.00 0.00 WT1 H ATOM 6910 OH2 TIP3 1320 35.917 18.768 7.381 1.00 0.00 WT1 O ATOM 6911 H1 TIP3 1320 36.784 19.173 7.360 1.00 0.00 WT1 H ATOM 6912 H2 TIP3 1320 35.673 18.675 6.460 1.00 0.00 WT1 H ATOM 6913 OH2 TIP3 1321 82.652 33.674 9.878 1.00 0.00 WT1 O ATOM 6914 H1 TIP3 1321 83.593 33.848 9.842 1.00 0.00 WT1 H ATOM 6915 H2 TIP3 1321 82.244 34.514 9.668 1.00 0.00 WT1 H ATOM 6916 OH2 TIP3 1322 41.201 6.664 -16.154 1.00 0.00 WT1 O ATOM 6917 H1 TIP3 1322 41.133 6.965 -17.060 1.00 0.00 WT1 H ATOM 6918 H2 TIP3 1322 41.587 7.403 -15.683 1.00 0.00 WT1 H ATOM 6919 OH2 TIP3 1323 78.885 84.761 20.047 1.00 0.00 WT1 O ATOM 6920 H1 TIP3 1323 78.585 83.946 19.646 1.00 0.00 WT1 H ATOM 6921 H2 TIP3 1323 78.396 84.818 20.868 1.00 0.00 WT1 H ATOM 6922 OH2 TIP3 1324 43.502 21.611 1.079 1.00 0.00 WT1 O ATOM 6923 H1 TIP3 1324 43.234 21.311 1.947 1.00 0.00 WT1 H ATOM 6924 H2 TIP3 1324 43.464 22.566 1.133 1.00 0.00 WT1 H ATOM 6925 OH2 TIP3 1325 83.340 58.468 7.169 1.00 0.00 WT1 O ATOM 6926 H1 TIP3 1325 82.806 57.872 7.695 1.00 0.00 WT1 H ATOM 6927 H2 TIP3 1325 82.718 58.884 6.572 1.00 0.00 WT1 H ATOM 6928 OH2 TIP3 1326 71.294 29.630 -7.794 1.00 0.00 WT1 O ATOM 6929 H1 TIP3 1326 70.690 28.904 -7.946 1.00 0.00 WT1 H ATOM 6930 H2 TIP3 1326 71.034 29.984 -6.943 1.00 0.00 WT1 H ATOM 6931 OH2 TIP3 1327 78.049 82.301 -0.796 1.00 0.00 WT1 O ATOM 6932 H1 TIP3 1327 78.417 83.139 -1.076 1.00 0.00 WT1 H ATOM 6933 H2 TIP3 1327 78.030 82.353 0.159 1.00 0.00 WT1 H ATOM 6934 OH2 TIP3 1328 35.565 8.218 1.291 1.00 0.00 WT1 O ATOM 6935 H1 TIP3 1328 35.922 8.850 0.667 1.00 0.00 WT1 H ATOM 6936 H2 TIP3 1328 36.336 7.822 1.697 1.00 0.00 WT1 H ATOM 6937 OH2 TIP3 1329 75.718 82.922 3.545 1.00 0.00 WT1 O ATOM 6938 H1 TIP3 1329 74.877 82.519 3.760 1.00 0.00 WT1 H ATOM 6939 H2 TIP3 1329 75.807 83.641 4.171 1.00 0.00 WT1 H ATOM 6940 OH2 TIP3 1330 86.007 43.698 -14.014 1.00 0.00 WT1 O ATOM 6941 H1 TIP3 1330 86.802 43.543 -13.505 1.00 0.00 WT1 H ATOM 6942 H2 TIP3 1330 85.324 43.219 -13.544 1.00 0.00 WT1 H ATOM 6943 OH2 TIP3 1332 41.211 33.167 65.136 1.00 0.00 WT1 O ATOM 6944 H1 TIP3 1332 40.592 32.438 65.151 1.00 0.00 WT1 H ATOM 6945 H2 TIP3 1332 41.712 33.040 64.330 1.00 0.00 WT1 H ATOM 6946 OH2 TIP3 1333 60.390 1.359 35.048 1.00 0.00 WT1 O ATOM 6947 H1 TIP3 1333 60.926 1.941 35.586 1.00 0.00 WT1 H ATOM 6948 H2 TIP3 1333 60.422 0.516 35.501 1.00 0.00 WT1 H ATOM 6949 OH2 TIP3 1334 46.173 5.256 13.521 1.00 0.00 WT1 O ATOM 6950 H1 TIP3 1334 45.564 5.994 13.490 1.00 0.00 WT1 H ATOM 6951 H2 TIP3 1334 45.621 4.498 13.714 1.00 0.00 WT1 H ATOM 6952 OH2 TIP3 1335 65.907 31.329 58.413 1.00 0.00 WT1 O ATOM 6953 H1 TIP3 1335 65.991 31.001 57.518 1.00 0.00 WT1 H ATOM 6954 H2 TIP3 1335 65.012 31.663 58.464 1.00 0.00 WT1 H ATOM 6955 OH2 TIP3 1336 52.280 48.438 38.682 1.00 0.00 WT1 O ATOM 6956 H1 TIP3 1336 52.814 48.524 37.893 1.00 0.00 WT1 H ATOM 6957 H2 TIP3 1336 52.359 49.286 39.119 1.00 0.00 WT1 H ATOM 6958 OH2 TIP3 1337 27.226 4.828 2.097 1.00 0.00 WT1 O ATOM 6959 H1 TIP3 1337 26.398 4.478 2.425 1.00 0.00 WT1 H ATOM 6960 H2 TIP3 1337 27.845 4.690 2.814 1.00 0.00 WT1 H ATOM 6961 OH2 TIP3 1338 50.865 33.270 48.423 1.00 0.00 WT1 O ATOM 6962 H1 TIP3 1338 51.410 33.764 47.811 1.00 0.00 WT1 H ATOM 6963 H2 TIP3 1338 51.221 32.382 48.398 1.00 0.00 WT1 H ATOM 6964 OH2 TIP3 1339 62.732 33.600 59.645 1.00 0.00 WT1 O ATOM 6965 H1 TIP3 1339 62.127 34.319 59.461 1.00 0.00 WT1 H ATOM 6966 H2 TIP3 1339 63.141 33.837 60.477 1.00 0.00 WT1 H ATOM 6967 OH2 TIP3 1340 80.930 24.938 -2.946 1.00 0.00 WT1 O ATOM 6968 H1 TIP3 1340 81.338 25.708 -3.341 1.00 0.00 WT1 H ATOM 6969 H2 TIP3 1340 81.663 24.366 -2.719 1.00 0.00 WT1 H ATOM 6970 OH2 TIP3 1342 38.552 12.550 29.606 1.00 0.00 WT1 O ATOM 6971 H1 TIP3 1342 39.352 12.121 29.302 1.00 0.00 WT1 H ATOM 6972 H2 TIP3 1342 38.012 12.636 28.821 1.00 0.00 WT1 H ATOM 6973 OH2 TIP3 1343 21.788 4.859 -1.643 1.00 0.00 WT1 O ATOM 6974 H1 TIP3 1343 21.392 4.978 -2.506 1.00 0.00 WT1 H ATOM 6975 H2 TIP3 1343 22.378 5.607 -1.546 1.00 0.00 WT1 H ATOM 6976 OH2 TIP3 1344 87.952 48.962 64.348 1.00 0.00 WT1 O ATOM 6977 H1 TIP3 1344 87.549 49.786 64.073 1.00 0.00 WT1 H ATOM 6978 H2 TIP3 1344 88.048 48.460 63.538 1.00 0.00 WT1 H ATOM 6979 OH2 TIP3 1345 64.469 60.300 56.031 1.00 0.00 WT1 O ATOM 6980 H1 TIP3 1345 64.127 61.191 55.958 1.00 0.00 WT1 H ATOM 6981 H2 TIP3 1345 64.288 59.903 55.179 1.00 0.00 WT1 H ATOM 6982 OH2 TIP3 1346 41.856 22.363 55.535 1.00 0.00 WT1 O ATOM 6983 H1 TIP3 1346 42.108 21.549 55.972 1.00 0.00 WT1 H ATOM 6984 H2 TIP3 1346 41.550 22.086 54.671 1.00 0.00 WT1 H ATOM 6985 OH2 TIP3 1347 58.279 2.176 23.518 1.00 0.00 WT1 O ATOM 6986 H1 TIP3 1347 58.233 1.774 22.651 1.00 0.00 WT1 H ATOM 6987 H2 TIP3 1347 59.213 2.191 23.726 1.00 0.00 WT1 H ATOM 6988 OH2 TIP3 1348 37.744 65.694 39.182 1.00 0.00 WT1 O ATOM 6989 H1 TIP3 1348 38.472 65.087 39.318 1.00 0.00 WT1 H ATOM 6990 H2 TIP3 1348 38.162 66.542 39.034 1.00 0.00 WT1 H ATOM 6991 OH2 TIP3 1349 86.007 62.335 -10.875 1.00 0.00 WT1 O ATOM 6992 H1 TIP3 1349 86.261 61.825 -11.644 1.00 0.00 WT1 H ATOM 6993 H2 TIP3 1349 86.723 62.958 -10.753 1.00 0.00 WT1 H ATOM 6994 OH2 TIP3 1350 56.473 58.494 54.217 1.00 0.00 WT1 O ATOM 6995 H1 TIP3 1350 57.289 58.990 54.273 1.00 0.00 WT1 H ATOM 6996 H2 TIP3 1350 56.291 58.437 53.279 1.00 0.00 WT1 H ATOM 6997 OH2 TIP3 1351 52.040 33.462 39.723 1.00 0.00 WT1 O ATOM 6998 H1 TIP3 1351 52.168 32.780 39.063 1.00 0.00 WT1 H ATOM 6999 H2 TIP3 1351 52.191 34.282 39.253 1.00 0.00 WT1 H ATOM 7000 OH2 TIP3 1352 64.010 72.242 41.507 1.00 0.00 WT1 O ATOM 7001 H1 TIP3 1352 64.719 72.301 40.867 1.00 0.00 WT1 H ATOM 7002 H2 TIP3 1352 63.570 71.417 41.301 1.00 0.00 WT1 H ATOM 7003 OH2 TIP3 1353 78.582 48.865 -17.713 1.00 0.00 WT1 O ATOM 7004 H1 TIP3 1353 78.083 49.556 -17.277 1.00 0.00 WT1 H ATOM 7005 H2 TIP3 1353 78.276 48.054 -17.305 1.00 0.00 WT1 H ATOM 7006 OH2 TIP3 1354 61.818 38.082 61.785 1.00 0.00 WT1 O ATOM 7007 H1 TIP3 1354 62.065 38.948 62.108 1.00 0.00 WT1 H ATOM 7008 H2 TIP3 1354 60.977 37.901 62.204 1.00 0.00 WT1 H ATOM 7009 OH2 TIP3 1355 44.766 34.901 62.237 1.00 0.00 WT1 O ATOM 7010 H1 TIP3 1355 45.483 35.261 61.714 1.00 0.00 WT1 H ATOM 7011 H2 TIP3 1355 45.188 34.269 62.819 1.00 0.00 WT1 H ATOM 7012 OH2 TIP3 1356 65.921 32.116 5.021 1.00 0.00 WT1 O ATOM 7013 H1 TIP3 1356 66.001 31.168 5.128 1.00 0.00 WT1 H ATOM 7014 H2 TIP3 1356 65.280 32.379 5.682 1.00 0.00 WT1 H ATOM 7015 OH2 TIP3 1357 44.881 71.060 50.595 1.00 0.00 WT1 O ATOM 7016 H1 TIP3 1357 44.607 71.786 50.035 1.00 0.00 WT1 H ATOM 7017 H2 TIP3 1357 44.244 70.368 50.419 1.00 0.00 WT1 H ATOM 7018 OH2 TIP3 1358 22.585 37.343 24.330 1.00 0.00 WT1 O ATOM 7019 H1 TIP3 1358 22.657 38.213 23.939 1.00 0.00 WT1 H ATOM 7020 H2 TIP3 1358 23.014 36.761 23.702 1.00 0.00 WT1 H ATOM 7021 OH2 TIP3 1359 20.097 87.327 -0.993 1.00 0.00 WT1 O ATOM 7022 H1 TIP3 1359 19.797 87.770 -1.787 1.00 0.00 WT1 H ATOM 7023 H2 TIP3 1359 20.951 87.719 -0.808 1.00 0.00 WT1 H ATOM 7024 OH2 TIP3 1360 75.285 16.193 49.347 1.00 0.00 WT1 O ATOM 7025 H1 TIP3 1360 74.429 16.038 49.745 1.00 0.00 WT1 H ATOM 7026 H2 TIP3 1360 75.466 15.395 48.851 1.00 0.00 WT1 H ATOM 7027 OH2 TIP3 1361 73.158 47.553 22.088 1.00 0.00 WT1 O ATOM 7028 H1 TIP3 1361 73.602 46.957 21.485 1.00 0.00 WT1 H ATOM 7029 H2 TIP3 1361 72.378 47.839 21.612 1.00 0.00 WT1 H ATOM 7030 OH2 TIP3 1362 49.642 6.061 -8.187 1.00 0.00 WT1 O ATOM 7031 H1 TIP3 1362 49.890 6.971 -8.347 1.00 0.00 WT1 H ATOM 7032 H2 TIP3 1362 49.911 5.596 -8.980 1.00 0.00 WT1 H ATOM 7033 OH2 TIP3 1363 62.525 43.445 44.032 1.00 0.00 WT1 O ATOM 7034 H1 TIP3 1363 61.632 43.641 43.749 1.00 0.00 WT1 H ATOM 7035 H2 TIP3 1363 63.081 43.835 43.357 1.00 0.00 WT1 H ATOM 7036 OH2 TIP3 1364 23.311 32.037 55.377 1.00 0.00 WT1 O ATOM 7037 H1 TIP3 1364 23.724 32.219 56.221 1.00 0.00 WT1 H ATOM 7038 H2 TIP3 1364 22.993 32.888 55.077 1.00 0.00 WT1 H ATOM 7039 OH2 TIP3 1365 58.760 2.790 50.591 1.00 0.00 WT1 O ATOM 7040 H1 TIP3 1365 59.170 3.212 49.836 1.00 0.00 WT1 H ATOM 7041 H2 TIP3 1365 58.022 2.305 50.224 1.00 0.00 WT1 H ATOM 7042 OH2 TIP3 1366 33.446 76.575 14.552 1.00 0.00 WT1 O ATOM 7043 H1 TIP3 1366 32.652 76.213 14.946 1.00 0.00 WT1 H ATOM 7044 H2 TIP3 1366 33.137 77.038 13.773 1.00 0.00 WT1 H ATOM 7045 OH2 TIP3 1367 84.121 92.573 49.446 1.00 0.00 WT1 O ATOM 7046 H1 TIP3 1367 83.328 92.363 49.938 1.00 0.00 WT1 H ATOM 7047 H2 TIP3 1367 84.783 91.973 49.791 1.00 0.00 WT1 H ATOM 7048 OH2 TIP3 1368 81.091 27.092 49.391 1.00 0.00 WT1 O ATOM 7049 H1 TIP3 1368 81.737 27.781 49.546 1.00 0.00 WT1 H ATOM 7050 H2 TIP3 1368 81.076 26.987 48.440 1.00 0.00 WT1 H ATOM 7051 OH2 TIP3 1369 55.621 79.223 27.948 1.00 0.00 WT1 O ATOM 7052 H1 TIP3 1369 55.177 79.616 28.700 1.00 0.00 WT1 H ATOM 7053 H2 TIP3 1369 55.331 78.311 27.948 1.00 0.00 WT1 H ATOM 7054 OH2 TIP3 1370 74.595 96.600 51.985 1.00 0.00 WT1 O ATOM 7055 H1 TIP3 1370 74.763 95.885 52.598 1.00 0.00 WT1 H ATOM 7056 H2 TIP3 1370 74.314 96.165 51.180 1.00 0.00 WT1 H ATOM 7057 OH2 TIP3 1371 31.406 28.243 -18.168 1.00 0.00 WT1 O ATOM 7058 H1 TIP3 1371 30.449 28.233 -18.161 1.00 0.00 WT1 H ATOM 7059 H2 TIP3 1371 31.645 28.831 -17.451 1.00 0.00 WT1 H ATOM 7060 OH2 TIP3 1372 63.647 27.505 -15.264 1.00 0.00 WT1 O ATOM 7061 H1 TIP3 1372 63.307 26.624 -15.422 1.00 0.00 WT1 H ATOM 7062 H2 TIP3 1372 64.331 27.382 -14.604 1.00 0.00 WT1 H ATOM 7063 OH2 TIP3 1373 62.857 51.511 -2.249 1.00 0.00 WT1 O ATOM 7064 H1 TIP3 1373 62.884 50.592 -1.983 1.00 0.00 WT1 H ATOM 7065 H2 TIP3 1373 62.051 51.589 -2.760 1.00 0.00 WT1 H ATOM 7066 OH2 TIP3 1374 53.438 6.018 -1.370 1.00 0.00 WT1 O ATOM 7067 H1 TIP3 1374 52.646 6.128 -1.896 1.00 0.00 WT1 H ATOM 7068 H2 TIP3 1374 53.736 6.911 -1.196 1.00 0.00 WT1 H ATOM 7069 OH2 TIP3 1375 72.632 47.117 -0.853 1.00 0.00 WT1 O ATOM 7070 H1 TIP3 1375 71.844 47.346 -1.345 1.00 0.00 WT1 H ATOM 7071 H2 TIP3 1375 72.855 47.914 -0.371 1.00 0.00 WT1 H ATOM 7072 OH2 TIP3 1376 65.457 62.222 60.358 1.00 0.00 WT1 O ATOM 7073 H1 TIP3 1376 65.233 61.763 61.168 1.00 0.00 WT1 H ATOM 7074 H2 TIP3 1376 64.790 61.942 59.731 1.00 0.00 WT1 H ATOM 7075 OH2 TIP3 1377 71.552 71.710 -3.431 1.00 0.00 WT1 O ATOM 7076 H1 TIP3 1377 72.450 71.379 -3.399 1.00 0.00 WT1 H ATOM 7077 H2 TIP3 1377 71.008 70.923 -3.477 1.00 0.00 WT1 H ATOM 7078 OH2 TIP3 1378 22.431 33.402 9.057 1.00 0.00 WT1 O ATOM 7079 H1 TIP3 1378 22.836 33.715 9.867 1.00 0.00 WT1 H ATOM 7080 H2 TIP3 1378 22.811 33.951 8.371 1.00 0.00 WT1 H ATOM 7081 OH2 TIP3 1379 25.921 3.581 28.734 1.00 0.00 WT1 O ATOM 7082 H1 TIP3 1379 25.373 2.916 29.150 1.00 0.00 WT1 H ATOM 7083 H2 TIP3 1379 26.395 3.109 28.050 1.00 0.00 WT1 H ATOM 7084 OH2 TIP3 1380 50.600 95.410 38.116 1.00 0.00 WT1 O ATOM 7085 H1 TIP3 1380 50.279 94.509 38.075 1.00 0.00 WT1 H ATOM 7086 H2 TIP3 1380 49.949 95.872 38.645 1.00 0.00 WT1 H ATOM 7087 OH2 TIP3 1381 87.212 13.206 62.221 1.00 0.00 WT1 O ATOM 7088 H1 TIP3 1381 87.819 13.301 62.955 1.00 0.00 WT1 H ATOM 7089 H2 TIP3 1381 86.996 14.105 61.971 1.00 0.00 WT1 H ATOM 7090 OH2 TIP3 1382 77.841 76.216 57.151 1.00 0.00 WT1 O ATOM 7091 H1 TIP3 1382 76.971 76.112 56.765 1.00 0.00 WT1 H ATOM 7092 H2 TIP3 1382 77.923 77.156 57.307 1.00 0.00 WT1 H ATOM 7093 OH2 TIP3 1383 86.065 94.594 57.024 1.00 0.00 WT1 O ATOM 7094 H1 TIP3 1383 85.752 94.313 57.884 1.00 0.00 WT1 H ATOM 7095 H2 TIP3 1383 85.540 95.368 56.820 1.00 0.00 WT1 H ATOM 7096 OH2 TIP3 1384 58.462 17.887 4.647 1.00 0.00 WT1 O ATOM 7097 H1 TIP3 1384 59.060 17.919 5.394 1.00 0.00 WT1 H ATOM 7098 H2 TIP3 1384 59.034 17.921 3.881 1.00 0.00 WT1 H ATOM 7099 OH2 TIP3 1385 45.930 74.554 0.626 1.00 0.00 WT1 O ATOM 7100 H1 TIP3 1385 46.523 74.274 1.323 1.00 0.00 WT1 H ATOM 7101 H2 TIP3 1385 46.421 74.404 -0.181 1.00 0.00 WT1 H ATOM 7102 OH2 TIP3 1387 84.075 20.418 3.379 1.00 0.00 WT1 O ATOM 7103 H1 TIP3 1387 83.360 20.928 3.760 1.00 0.00 WT1 H ATOM 7104 H2 TIP3 1387 83.979 20.538 2.434 1.00 0.00 WT1 H ATOM 7105 OH2 TIP3 1388 34.225 85.923 11.003 1.00 0.00 WT1 O ATOM 7106 H1 TIP3 1388 34.187 86.730 11.516 1.00 0.00 WT1 H ATOM 7107 H2 TIP3 1388 34.752 86.151 10.236 1.00 0.00 WT1 H ATOM 7108 OH2 TIP3 1389 84.125 94.495 -13.961 1.00 0.00 WT1 O ATOM 7109 H1 TIP3 1389 85.042 94.684 -13.762 1.00 0.00 WT1 H ATOM 7110 H2 TIP3 1389 84.094 93.545 -14.071 1.00 0.00 WT1 H ATOM 7111 OH2 TIP3 1390 40.853 29.277 31.931 1.00 0.00 WT1 O ATOM 7112 H1 TIP3 1390 40.936 29.866 31.181 1.00 0.00 WT1 H ATOM 7113 H2 TIP3 1390 41.722 29.276 32.332 1.00 0.00 WT1 H ATOM 7114 OH2 TIP3 1391 56.946 69.484 31.041 1.00 0.00 WT1 O ATOM 7115 H1 TIP3 1391 56.474 69.515 31.873 1.00 0.00 WT1 H ATOM 7116 H2 TIP3 1391 56.330 69.077 30.431 1.00 0.00 WT1 H ATOM 7117 OH2 TIP3 1392 29.786 63.679 6.145 1.00 0.00 WT1 O ATOM 7118 H1 TIP3 1392 29.583 63.364 7.025 1.00 0.00 WT1 H ATOM 7119 H2 TIP3 1392 30.716 63.902 6.177 1.00 0.00 WT1 H ATOM 7120 OH2 TIP3 1393 30.004 89.955 65.812 1.00 0.00 WT1 O ATOM 7121 H1 TIP3 1393 29.647 89.080 65.664 1.00 0.00 WT1 H ATOM 7122 H2 TIP3 1393 30.913 89.802 66.072 1.00 0.00 WT1 H ATOM 7123 OH2 TIP3 1394 64.226 94.933 58.937 1.00 0.00 WT1 O ATOM 7124 H1 TIP3 1394 64.285 94.220 58.301 1.00 0.00 WT1 H ATOM 7125 H2 TIP3 1394 64.545 95.703 58.466 1.00 0.00 WT1 H ATOM 7126 OH2 TIP3 1395 49.533 18.858 16.173 1.00 0.00 WT1 O ATOM 7127 H1 TIP3 1395 49.558 19.655 16.703 1.00 0.00 WT1 H ATOM 7128 H2 TIP3 1395 49.160 19.137 15.338 1.00 0.00 WT1 H ATOM 7129 OH2 TIP3 1396 26.536 80.744 15.483 1.00 0.00 WT1 O ATOM 7130 H1 TIP3 1396 25.978 80.344 14.816 1.00 0.00 WT1 H ATOM 7131 H2 TIP3 1396 26.657 80.057 16.139 1.00 0.00 WT1 H ATOM 7132 OH2 TIP3 1397 30.032 6.381 32.169 1.00 0.00 WT1 O ATOM 7133 H1 TIP3 1397 29.181 6.419 32.605 1.00 0.00 WT1 H ATOM 7134 H2 TIP3 1397 30.003 5.573 31.656 1.00 0.00 WT1 H ATOM 7135 OH2 TIP3 1398 40.891 75.470 13.165 1.00 0.00 WT1 O ATOM 7136 H1 TIP3 1398 40.539 75.677 14.030 1.00 0.00 WT1 H ATOM 7137 H2 TIP3 1398 41.637 74.897 13.341 1.00 0.00 WT1 H ATOM 7138 OH2 TIP3 1399 62.645 80.762 41.990 1.00 0.00 WT1 O ATOM 7139 H1 TIP3 1399 63.276 80.088 41.739 1.00 0.00 WT1 H ATOM 7140 H2 TIP3 1399 62.268 80.444 42.811 1.00 0.00 WT1 H ATOM 7141 OH2 TIP3 1400 84.914 72.795 10.274 1.00 0.00 WT1 O ATOM 7142 H1 TIP3 1400 85.242 72.313 11.033 1.00 0.00 WT1 H ATOM 7143 H2 TIP3 1400 85.095 72.222 9.529 1.00 0.00 WT1 H ATOM 7144 OH2 TIP3 1401 72.450 39.616 10.169 1.00 0.00 WT1 O ATOM 7145 H1 TIP3 1401 71.978 40.438 10.302 1.00 0.00 WT1 H ATOM 7146 H2 TIP3 1401 72.340 39.141 10.993 1.00 0.00 WT1 H ATOM 7147 OH2 TIP3 1402 21.835 11.090 5.403 1.00 0.00 WT1 O ATOM 7148 H1 TIP3 1402 22.257 10.704 6.170 1.00 0.00 WT1 H ATOM 7149 H2 TIP3 1402 21.391 11.868 5.739 1.00 0.00 WT1 H ATOM 7150 OH2 TIP3 1403 69.578 41.904 -1.385 1.00 0.00 WT1 O ATOM 7151 H1 TIP3 1403 69.487 42.111 -0.455 1.00 0.00 WT1 H ATOM 7152 H2 TIP3 1403 69.250 41.008 -1.465 1.00 0.00 WT1 H ATOM 7153 OH2 TIP3 1404 37.474 75.878 32.138 1.00 0.00 WT1 O ATOM 7154 H1 TIP3 1404 38.362 76.185 31.955 1.00 0.00 WT1 H ATOM 7155 H2 TIP3 1404 37.185 75.477 31.318 1.00 0.00 WT1 H ATOM 7156 OH2 TIP3 1405 88.348 80.097 -12.709 1.00 0.00 WT1 O ATOM 7157 H1 TIP3 1405 89.085 79.802 -13.243 1.00 0.00 WT1 H ATOM 7158 H2 TIP3 1405 88.505 79.710 -11.848 1.00 0.00 WT1 H ATOM 7159 OH2 TIP3 1406 42.162 26.288 -16.283 1.00 0.00 WT1 O ATOM 7160 H1 TIP3 1406 41.506 25.710 -16.673 1.00 0.00 WT1 H ATOM 7161 H2 TIP3 1406 41.680 26.783 -15.620 1.00 0.00 WT1 H ATOM 7162 OH2 TIP3 1407 78.883 20.070 45.685 1.00 0.00 WT1 O ATOM 7163 H1 TIP3 1407 78.885 20.776 45.038 1.00 0.00 WT1 H ATOM 7164 H2 TIP3 1407 79.233 19.314 45.214 1.00 0.00 WT1 H ATOM 7165 OH2 TIP3 1408 24.125 48.366 32.718 1.00 0.00 WT1 O ATOM 7166 H1 TIP3 1408 24.404 49.251 32.954 1.00 0.00 WT1 H ATOM 7167 H2 TIP3 1408 23.508 48.493 31.997 1.00 0.00 WT1 H ATOM 7168 OH2 TIP3 1409 81.237 31.216 20.350 1.00 0.00 WT1 O ATOM 7169 H1 TIP3 1409 81.657 30.992 21.180 1.00 0.00 WT1 H ATOM 7170 H2 TIP3 1409 81.419 32.149 20.234 1.00 0.00 WT1 H ATOM 7171 OH2 TIP3 1410 26.406 6.756 57.640 1.00 0.00 WT1 O ATOM 7172 H1 TIP3 1410 26.163 7.671 57.496 1.00 0.00 WT1 H ATOM 7173 H2 TIP3 1410 26.948 6.530 56.884 1.00 0.00 WT1 H ATOM 7174 OH2 TIP3 1411 24.547 78.605 49.267 1.00 0.00 WT1 O ATOM 7175 H1 TIP3 1411 24.311 77.687 49.408 1.00 0.00 WT1 H ATOM 7176 H2 TIP3 1411 23.976 79.092 49.862 1.00 0.00 WT1 H ATOM 7177 OH2 TIP3 1412 44.127 80.165 4.315 1.00 0.00 WT1 O ATOM 7178 H1 TIP3 1412 45.069 80.097 4.474 1.00 0.00 WT1 H ATOM 7179 H2 TIP3 1412 44.053 80.299 3.370 1.00 0.00 WT1 H ATOM 7180 OH2 TIP3 1413 55.502 93.133 25.615 1.00 0.00 WT1 O ATOM 7181 H1 TIP3 1413 56.136 93.094 26.331 1.00 0.00 WT1 H ATOM 7182 H2 TIP3 1413 55.014 93.942 25.770 1.00 0.00 WT1 H ATOM 7183 OH2 TIP3 1414 34.675 94.499 -16.467 1.00 0.00 WT1 O ATOM 7184 H1 TIP3 1414 35.273 94.968 -15.886 1.00 0.00 WT1 H ATOM 7185 H2 TIP3 1414 34.139 95.184 -16.865 1.00 0.00 WT1 H ATOM 7186 OH2 TIP3 1415 73.435 29.682 24.897 1.00 0.00 WT1 O ATOM 7187 H1 TIP3 1415 73.473 30.613 25.114 1.00 0.00 WT1 H ATOM 7188 H2 TIP3 1415 74.291 29.489 24.514 1.00 0.00 WT1 H ATOM 7189 OH2 TIP3 1416 49.990 56.808 0.286 1.00 0.00 WT1 O ATOM 7190 H1 TIP3 1416 49.611 56.918 1.158 1.00 0.00 WT1 H ATOM 7191 H2 TIP3 1416 50.705 57.444 0.253 1.00 0.00 WT1 H ATOM 7192 OH2 TIP3 1417 51.299 47.718 64.174 1.00 0.00 WT1 O ATOM 7193 H1 TIP3 1417 50.576 47.096 64.255 1.00 0.00 WT1 H ATOM 7194 H2 TIP3 1417 51.486 47.987 65.073 1.00 0.00 WT1 H ATOM 7195 OH2 TIP3 1418 25.708 76.621 -1.391 1.00 0.00 WT1 O ATOM 7196 H1 TIP3 1418 25.599 76.524 -2.337 1.00 0.00 WT1 H ATOM 7197 H2 TIP3 1418 26.642 76.798 -1.273 1.00 0.00 WT1 H ATOM 7198 OH2 TIP3 1419 73.091 42.190 62.158 1.00 0.00 WT1 O ATOM 7199 H1 TIP3 1419 73.589 42.981 62.368 1.00 0.00 WT1 H ATOM 7200 H2 TIP3 1419 72.738 41.899 62.998 1.00 0.00 WT1 H ATOM 7201 OH2 TIP3 1421 30.570 58.644 53.283 1.00 0.00 WT1 O ATOM 7202 H1 TIP3 1421 30.336 59.440 53.760 1.00 0.00 WT1 H ATOM 7203 H2 TIP3 1421 30.853 58.955 52.423 1.00 0.00 WT1 H ATOM 7204 OH2 TIP3 1422 54.266 96.345 44.445 1.00 0.00 WT1 O ATOM 7205 H1 TIP3 1422 53.751 96.360 43.639 1.00 0.00 WT1 H ATOM 7206 H2 TIP3 1422 55.042 95.829 44.224 1.00 0.00 WT1 H ATOM 7207 OH2 TIP3 1423 27.570 18.456 -2.130 1.00 0.00 WT1 O ATOM 7208 H1 TIP3 1423 27.993 19.025 -1.487 1.00 0.00 WT1 H ATOM 7209 H2 TIP3 1423 27.880 18.779 -2.976 1.00 0.00 WT1 H ATOM 7210 OH2 TIP3 1424 36.118 93.999 46.970 1.00 0.00 WT1 O ATOM 7211 H1 TIP3 1424 36.736 94.688 46.724 1.00 0.00 WT1 H ATOM 7212 H2 TIP3 1424 36.152 93.976 47.926 1.00 0.00 WT1 H ATOM 7213 OH2 TIP3 1426 28.141 32.969 -10.724 1.00 0.00 WT1 O ATOM 7214 H1 TIP3 1426 27.434 32.387 -10.443 1.00 0.00 WT1 H ATOM 7215 H2 TIP3 1426 27.697 33.775 -10.987 1.00 0.00 WT1 H ATOM 7216 OH2 TIP3 1428 46.483 3.286 -0.088 1.00 0.00 WT1 O ATOM 7217 H1 TIP3 1428 45.528 3.257 -0.022 1.00 0.00 WT1 H ATOM 7218 H2 TIP3 1428 46.707 2.545 -0.650 1.00 0.00 WT1 H ATOM 7219 OH2 TIP3 1429 67.563 22.193 11.680 1.00 0.00 WT1 O ATOM 7220 H1 TIP3 1429 67.447 23.119 11.894 1.00 0.00 WT1 H ATOM 7221 H2 TIP3 1429 66.777 21.768 12.023 1.00 0.00 WT1 H ATOM 7222 OH2 TIP3 1430 78.523 25.085 -1.575 1.00 0.00 WT1 O ATOM 7223 H1 TIP3 1430 79.415 25.069 -1.922 1.00 0.00 WT1 H ATOM 7224 H2 TIP3 1430 77.990 24.689 -2.265 1.00 0.00 WT1 H ATOM 7225 OH2 TIP3 1431 20.360 39.843 42.983 1.00 0.00 WT1 O ATOM 7226 H1 TIP3 1431 20.187 40.128 42.086 1.00 0.00 WT1 H ATOM 7227 H2 TIP3 1431 21.087 40.394 43.273 1.00 0.00 WT1 H ATOM 7228 OH2 TIP3 1432 25.594 20.765 34.390 1.00 0.00 WT1 O ATOM 7229 H1 TIP3 1432 25.430 20.897 35.324 1.00 0.00 WT1 H ATOM 7230 H2 TIP3 1432 25.071 19.997 34.161 1.00 0.00 WT1 H ATOM 7231 OH2 TIP3 1433 35.235 23.045 24.933 1.00 0.00 WT1 O ATOM 7232 H1 TIP3 1433 34.725 22.618 25.622 1.00 0.00 WT1 H ATOM 7233 H2 TIP3 1433 35.260 23.967 25.189 1.00 0.00 WT1 H ATOM 7234 OH2 TIP3 1434 31.580 38.007 47.911 1.00 0.00 WT1 O ATOM 7235 H1 TIP3 1434 30.902 37.334 47.848 1.00 0.00 WT1 H ATOM 7236 H2 TIP3 1434 32.393 37.550 47.693 1.00 0.00 WT1 H ATOM 7237 OH2 TIP3 1435 81.066 93.660 11.739 1.00 0.00 WT1 O ATOM 7238 H1 TIP3 1435 81.311 92.873 11.252 1.00 0.00 WT1 H ATOM 7239 H2 TIP3 1435 80.952 93.358 12.640 1.00 0.00 WT1 H ATOM 7240 OH2 TIP3 1436 36.810 55.864 35.598 1.00 0.00 WT1 O ATOM 7241 H1 TIP3 1436 36.857 55.882 36.554 1.00 0.00 WT1 H ATOM 7242 H2 TIP3 1436 37.698 56.075 35.311 1.00 0.00 WT1 H ATOM 7243 OH2 TIP3 1437 54.857 83.500 15.666 1.00 0.00 WT1 O ATOM 7244 H1 TIP3 1437 55.598 83.524 15.060 1.00 0.00 WT1 H ATOM 7245 H2 TIP3 1437 54.187 82.993 15.206 1.00 0.00 WT1 H ATOM 7246 OH2 TIP3 1438 83.066 77.844 9.038 1.00 0.00 WT1 O ATOM 7247 H1 TIP3 1438 83.814 77.684 8.462 1.00 0.00 WT1 H ATOM 7248 H2 TIP3 1438 82.523 77.060 8.951 1.00 0.00 WT1 H ATOM 7249 OH2 TIP3 1439 26.733 35.529 -6.595 1.00 0.00 WT1 O ATOM 7250 H1 TIP3 1439 25.942 36.052 -6.728 1.00 0.00 WT1 H ATOM 7251 H2 TIP3 1439 27.249 35.669 -7.389 1.00 0.00 WT1 H ATOM 7252 OH2 TIP3 1440 65.993 39.372 45.811 1.00 0.00 WT1 O ATOM 7253 H1 TIP3 1440 66.484 39.940 46.405 1.00 0.00 WT1 H ATOM 7254 H2 TIP3 1440 65.461 39.973 45.289 1.00 0.00 WT1 H ATOM 7255 OH2 TIP3 1441 79.627 38.001 15.440 1.00 0.00 WT1 O ATOM 7256 H1 TIP3 1441 79.375 37.351 16.095 1.00 0.00 WT1 H ATOM 7257 H2 TIP3 1441 78.827 38.162 14.941 1.00 0.00 WT1 H ATOM 7258 OH2 TIP3 1442 56.843 12.089 30.112 1.00 0.00 WT1 O ATOM 7259 H1 TIP3 1442 57.032 11.257 30.547 1.00 0.00 WT1 H ATOM 7260 H2 TIP3 1442 56.123 12.466 30.619 1.00 0.00 WT1 H ATOM 7261 OH2 TIP3 1443 42.126 7.245 9.346 1.00 0.00 WT1 O ATOM 7262 H1 TIP3 1443 41.648 7.625 10.083 1.00 0.00 WT1 H ATOM 7263 H2 TIP3 1443 41.841 7.755 8.588 1.00 0.00 WT1 H ATOM 7264 OH2 TIP3 1444 28.232 85.645 17.516 1.00 0.00 WT1 O ATOM 7265 H1 TIP3 1444 28.062 86.530 17.194 1.00 0.00 WT1 H ATOM 7266 H2 TIP3 1444 28.640 85.195 16.776 1.00 0.00 WT1 H ATOM 7267 OH2 TIP3 1445 29.570 63.916 34.456 1.00 0.00 WT1 O ATOM 7268 H1 TIP3 1445 29.192 63.524 33.669 1.00 0.00 WT1 H ATOM 7269 H2 TIP3 1445 30.212 64.545 34.126 1.00 0.00 WT1 H ATOM 7270 OH2 TIP3 1446 31.598 22.072 51.176 1.00 0.00 WT1 O ATOM 7271 H1 TIP3 1446 30.826 21.685 50.762 1.00 0.00 WT1 H ATOM 7272 H2 TIP3 1446 32.216 21.346 51.257 1.00 0.00 WT1 H ATOM 7273 OH2 TIP3 1447 65.464 39.385 50.802 1.00 0.00 WT1 O ATOM 7274 H1 TIP3 1447 64.690 38.974 51.189 1.00 0.00 WT1 H ATOM 7275 H2 TIP3 1447 65.844 38.705 50.246 1.00 0.00 WT1 H ATOM 7276 OH2 TIP3 1448 30.344 43.467 14.654 1.00 0.00 WT1 O ATOM 7277 H1 TIP3 1448 30.347 43.305 15.598 1.00 0.00 WT1 H ATOM 7278 H2 TIP3 1448 30.669 44.363 14.564 1.00 0.00 WT1 H ATOM 7279 OH2 TIP3 1449 29.109 86.665 42.469 1.00 0.00 WT1 O ATOM 7280 H1 TIP3 1449 29.826 86.113 42.158 1.00 0.00 WT1 H ATOM 7281 H2 TIP3 1449 28.732 87.040 41.673 1.00 0.00 WT1 H ATOM 7282 OH2 TIP3 1450 65.949 21.870 1.478 1.00 0.00 WT1 O ATOM 7283 H1 TIP3 1450 65.211 22.379 1.812 1.00 0.00 WT1 H ATOM 7284 H2 TIP3 1450 66.593 21.888 2.185 1.00 0.00 WT1 H ATOM 7285 OH2 TIP3 1451 53.952 29.038 54.431 1.00 0.00 WT1 O ATOM 7286 H1 TIP3 1451 53.465 28.309 54.813 1.00 0.00 WT1 H ATOM 7287 H2 TIP3 1451 53.474 29.252 53.629 1.00 0.00 WT1 H ATOM 7288 OH2 TIP3 1453 35.740 37.449 65.625 1.00 0.00 WT1 O ATOM 7289 H1 TIP3 1453 35.421 36.551 65.539 1.00 0.00 WT1 H ATOM 7290 H2 TIP3 1453 36.688 37.379 65.510 1.00 0.00 WT1 H ATOM 7291 OH2 TIP3 1454 28.577 93.579 -10.857 1.00 0.00 WT1 O ATOM 7292 H1 TIP3 1454 28.087 94.220 -10.342 1.00 0.00 WT1 H ATOM 7293 H2 TIP3 1454 29.441 93.552 -10.447 1.00 0.00 WT1 H ATOM 7294 OH2 TIP3 1455 72.783 28.838 31.684 1.00 0.00 WT1 O ATOM 7295 H1 TIP3 1455 72.220 28.252 31.179 1.00 0.00 WT1 H ATOM 7296 H2 TIP3 1455 73.555 28.312 31.889 1.00 0.00 WT1 H ATOM 7297 OH2 TIP3 1456 35.675 6.983 9.884 1.00 0.00 WT1 O ATOM 7298 H1 TIP3 1456 35.228 6.886 10.725 1.00 0.00 WT1 H ATOM 7299 H2 TIP3 1456 36.549 6.625 10.034 1.00 0.00 WT1 H ATOM 7300 OH2 TIP3 1457 62.041 26.044 39.767 1.00 0.00 WT1 O ATOM 7301 H1 TIP3 1457 62.777 26.655 39.749 1.00 0.00 WT1 H ATOM 7302 H2 TIP3 1457 62.362 25.295 40.269 1.00 0.00 WT1 H ATOM 7303 OH2 TIP3 1458 67.213 14.487 2.190 1.00 0.00 WT1 O ATOM 7304 H1 TIP3 1458 66.665 14.820 2.901 1.00 0.00 WT1 H ATOM 7305 H2 TIP3 1458 66.596 14.074 1.586 1.00 0.00 WT1 H ATOM 7306 OH2 TIP3 1459 60.917 3.674 47.895 1.00 0.00 WT1 O ATOM 7307 H1 TIP3 1459 61.207 3.935 48.769 1.00 0.00 WT1 H ATOM 7308 H2 TIP3 1459 60.864 2.719 47.934 1.00 0.00 WT1 H ATOM 7309 OH2 TIP3 1461 41.351 92.934 56.944 1.00 0.00 WT1 O ATOM 7310 H1 TIP3 1461 42.028 93.566 57.187 1.00 0.00 WT1 H ATOM 7311 H2 TIP3 1461 41.730 92.082 57.162 1.00 0.00 WT1 H ATOM 7312 OH2 TIP3 1462 47.697 68.954 62.738 1.00 0.00 WT1 O ATOM 7313 H1 TIP3 1462 47.120 69.688 62.525 1.00 0.00 WT1 H ATOM 7314 H2 TIP3 1462 47.565 68.330 62.024 1.00 0.00 WT1 H ATOM 7315 OH2 TIP3 1463 33.601 22.981 62.081 1.00 0.00 WT1 O ATOM 7316 H1 TIP3 1463 34.273 22.880 61.408 1.00 0.00 WT1 H ATOM 7317 H2 TIP3 1463 33.976 23.603 62.705 1.00 0.00 WT1 H ATOM 7318 OH2 TIP3 1464 84.967 64.181 52.881 1.00 0.00 WT1 O ATOM 7319 H1 TIP3 1464 84.213 64.564 53.330 1.00 0.00 WT1 H ATOM 7320 H2 TIP3 1464 84.935 64.550 51.999 1.00 0.00 WT1 H ATOM 7321 OH2 TIP3 1466 34.553 77.206 31.922 1.00 0.00 WT1 O ATOM 7322 H1 TIP3 1466 34.806 77.093 32.839 1.00 0.00 WT1 H ATOM 7323 H2 TIP3 1466 34.651 76.335 31.538 1.00 0.00 WT1 H ATOM 7324 OH2 TIP3 1467 65.960 30.277 51.983 1.00 0.00 WT1 O ATOM 7325 H1 TIP3 1467 66.796 30.681 52.218 1.00 0.00 WT1 H ATOM 7326 H2 TIP3 1467 65.351 31.013 51.909 1.00 0.00 WT1 H ATOM 7327 OH2 TIP3 1468 50.744 12.787 53.841 1.00 0.00 WT1 O ATOM 7328 H1 TIP3 1468 50.986 11.871 53.978 1.00 0.00 WT1 H ATOM 7329 H2 TIP3 1468 50.245 12.784 53.024 1.00 0.00 WT1 H ATOM 7330 OH2 TIP3 1469 42.092 29.429 58.284 1.00 0.00 WT1 O ATOM 7331 H1 TIP3 1469 41.199 29.433 57.938 1.00 0.00 WT1 H ATOM 7332 H2 TIP3 1469 42.625 29.086 57.566 1.00 0.00 WT1 H ATOM 7333 OH2 TIP3 1470 20.570 7.080 61.117 1.00 0.00 WT1 O ATOM 7334 H1 TIP3 1470 20.835 6.594 60.335 1.00 0.00 WT1 H ATOM 7335 H2 TIP3 1470 20.597 7.998 60.849 1.00 0.00 WT1 H ATOM 7336 OH2 TIP3 1471 47.502 12.375 17.756 1.00 0.00 WT1 O ATOM 7337 H1 TIP3 1471 47.776 12.990 17.076 1.00 0.00 WT1 H ATOM 7338 H2 TIP3 1471 47.686 12.829 18.579 1.00 0.00 WT1 H ATOM 7339 OH2 TIP3 1472 40.040 58.356 -16.967 1.00 0.00 WT1 O ATOM 7340 H1 TIP3 1472 40.693 57.691 -17.184 1.00 0.00 WT1 H ATOM 7341 H2 TIP3 1472 40.368 58.761 -16.164 1.00 0.00 WT1 H ATOM 7342 OH2 TIP3 1473 60.632 44.070 32.892 1.00 0.00 WT1 O ATOM 7343 H1 TIP3 1473 61.257 44.101 32.168 1.00 0.00 WT1 H ATOM 7344 H2 TIP3 1473 60.499 44.987 33.135 1.00 0.00 WT1 H ATOM 7345 OH2 TIP3 1474 56.812 1.790 59.228 1.00 0.00 WT1 O ATOM 7346 H1 TIP3 1474 56.524 2.623 58.856 1.00 0.00 WT1 H ATOM 7347 H2 TIP3 1474 57.159 2.019 60.090 1.00 0.00 WT1 H ATOM 7348 OH2 TIP3 1475 39.359 39.037 5.816 1.00 0.00 WT1 O ATOM 7349 H1 TIP3 1475 39.508 38.483 6.582 1.00 0.00 WT1 H ATOM 7350 H2 TIP3 1475 38.968 39.836 6.169 1.00 0.00 WT1 H ATOM 7351 OH2 TIP3 1476 39.428 40.384 18.836 1.00 0.00 WT1 O ATOM 7352 H1 TIP3 1476 39.753 39.487 18.913 1.00 0.00 WT1 H ATOM 7353 H2 TIP3 1476 39.475 40.733 19.726 1.00 0.00 WT1 H ATOM 7354 OH2 TIP3 1477 39.370 51.706 14.937 1.00 0.00 WT1 O ATOM 7355 H1 TIP3 1477 39.155 51.848 15.859 1.00 0.00 WT1 H ATOM 7356 H2 TIP3 1477 40.281 51.991 14.856 1.00 0.00 WT1 H ATOM 7357 OH2 TIP3 1478 28.477 66.773 63.031 1.00 0.00 WT1 O ATOM 7358 H1 TIP3 1478 28.183 67.114 62.186 1.00 0.00 WT1 H ATOM 7359 H2 TIP3 1478 28.682 65.854 62.860 1.00 0.00 WT1 H ATOM 7360 OH2 TIP3 1479 40.704 27.336 42.343 1.00 0.00 WT1 O ATOM 7361 H1 TIP3 1479 40.585 26.602 41.741 1.00 0.00 WT1 H ATOM 7362 H2 TIP3 1479 40.288 28.078 41.902 1.00 0.00 WT1 H ATOM 7363 OH2 TIP3 1480 44.751 19.491 -2.185 1.00 0.00 WT1 O ATOM 7364 H1 TIP3 1480 45.405 20.190 -2.214 1.00 0.00 WT1 H ATOM 7365 H2 TIP3 1480 45.007 18.954 -1.436 1.00 0.00 WT1 H ATOM 7366 OH2 TIP3 1482 69.297 4.210 18.346 1.00 0.00 WT1 O ATOM 7367 H1 TIP3 1482 68.928 5.031 18.674 1.00 0.00 WT1 H ATOM 7368 H2 TIP3 1482 68.536 3.698 18.072 1.00 0.00 WT1 H ATOM 7369 OH2 TIP3 1483 66.726 33.887 16.461 1.00 0.00 WT1 O ATOM 7370 H1 TIP3 1483 66.365 33.839 17.346 1.00 0.00 WT1 H ATOM 7371 H2 TIP3 1483 65.958 33.938 15.891 1.00 0.00 WT1 H ATOM 7372 OH2 TIP3 1484 31.404 16.152 23.979 1.00 0.00 WT1 O ATOM 7373 H1 TIP3 1484 31.153 16.343 23.075 1.00 0.00 WT1 H ATOM 7374 H2 TIP3 1484 30.937 16.804 24.501 1.00 0.00 WT1 H ATOM 7375 OH2 TIP3 1485 87.885 30.604 47.508 1.00 0.00 WT1 O ATOM 7376 H1 TIP3 1485 88.440 29.839 47.357 1.00 0.00 WT1 H ATOM 7377 H2 TIP3 1485 88.482 31.270 47.850 1.00 0.00 WT1 H ATOM 7378 OH2 TIP3 1486 33.862 31.609 15.638 1.00 0.00 WT1 O ATOM 7379 H1 TIP3 1486 34.172 32.028 14.835 1.00 0.00 WT1 H ATOM 7380 H2 TIP3 1486 33.686 32.336 16.235 1.00 0.00 WT1 H ATOM 7381 OH2 TIP3 1487 47.666 11.281 -13.495 1.00 0.00 WT1 O ATOM 7382 H1 TIP3 1487 47.191 10.462 -13.350 1.00 0.00 WT1 H ATOM 7383 H2 TIP3 1487 47.428 11.832 -12.750 1.00 0.00 WT1 H ATOM 7384 OH2 TIP3 1488 77.999 48.338 41.227 1.00 0.00 WT1 O ATOM 7385 H1 TIP3 1488 77.638 47.861 41.974 1.00 0.00 WT1 H ATOM 7386 H2 TIP3 1488 77.574 49.195 41.261 1.00 0.00 WT1 H ATOM 7387 OH2 TIP3 1489 59.506 45.792 53.688 1.00 0.00 WT1 O ATOM 7388 H1 TIP3 1489 59.813 45.706 54.590 1.00 0.00 WT1 H ATOM 7389 H2 TIP3 1489 58.552 45.742 53.753 1.00 0.00 WT1 H ATOM 7390 OH2 TIP3 1490 59.222 52.704 36.468 1.00 0.00 WT1 O ATOM 7391 H1 TIP3 1490 58.293 52.476 36.479 1.00 0.00 WT1 H ATOM 7392 H2 TIP3 1490 59.407 52.910 35.552 1.00 0.00 WT1 H ATOM 7393 OH2 TIP3 1491 28.752 8.655 -19.138 1.00 0.00 WT1 O ATOM 7394 H1 TIP3 1491 28.804 8.702 -18.183 1.00 0.00 WT1 H ATOM 7395 H2 TIP3 1491 28.437 7.769 -19.317 1.00 0.00 WT1 H ATOM 7396 OH2 TIP3 1492 49.318 20.938 5.066 1.00 0.00 WT1 O ATOM 7397 H1 TIP3 1492 50.270 20.874 4.989 1.00 0.00 WT1 H ATOM 7398 H2 TIP3 1492 49.070 20.189 5.607 1.00 0.00 WT1 H ATOM 7399 OH2 TIP3 1493 86.732 29.128 67.467 1.00 0.00 WT1 O ATOM 7400 H1 TIP3 1493 86.438 29.995 67.745 1.00 0.00 WT1 H ATOM 7401 H2 TIP3 1493 86.247 28.958 66.659 1.00 0.00 WT1 H ATOM 7402 OH2 TIP3 1494 64.981 95.002 62.369 1.00 0.00 WT1 O ATOM 7403 H1 TIP3 1494 65.033 94.270 61.754 1.00 0.00 WT1 H ATOM 7404 H2 TIP3 1494 65.768 94.920 62.907 1.00 0.00 WT1 H ATOM 7405 OH2 TIP3 1495 23.185 95.166 0.587 1.00 0.00 WT1 O ATOM 7406 H1 TIP3 1495 22.234 95.144 0.481 1.00 0.00 WT1 H ATOM 7407 H2 TIP3 1495 23.395 94.351 1.044 1.00 0.00 WT1 H ATOM 7408 OH2 TIP3 1496 30.469 47.215 52.871 1.00 0.00 WT1 O ATOM 7409 H1 TIP3 1496 31.124 46.518 52.829 1.00 0.00 WT1 H ATOM 7410 H2 TIP3 1496 30.196 47.343 51.963 1.00 0.00 WT1 H ATOM 7411 OH2 TIP3 1497 37.062 89.897 12.405 1.00 0.00 WT1 O ATOM 7412 H1 TIP3 1497 37.915 89.463 12.373 1.00 0.00 WT1 H ATOM 7413 H2 TIP3 1497 36.682 89.617 13.238 1.00 0.00 WT1 H ATOM 7414 OH2 TIP3 1498 65.689 82.183 -10.066 1.00 0.00 WT1 O ATOM 7415 H1 TIP3 1498 66.022 82.972 -10.494 1.00 0.00 WT1 H ATOM 7416 H2 TIP3 1498 66.329 81.505 -10.280 1.00 0.00 WT1 H ATOM 7417 OH2 TIP3 1499 21.132 93.568 -19.309 1.00 0.00 WT1 O ATOM 7418 H1 TIP3 1499 21.725 93.261 -19.994 1.00 0.00 WT1 H ATOM 7419 H2 TIP3 1499 21.684 93.646 -18.531 1.00 0.00 WT1 H ATOM 7420 OH2 TIP3 1500 26.037 32.394 -2.560 1.00 0.00 WT1 O ATOM 7421 H1 TIP3 1500 26.664 32.856 -2.003 1.00 0.00 WT1 H ATOM 7422 H2 TIP3 1500 25.626 33.083 -3.081 1.00 0.00 WT1 H ATOM 7423 OH2 TIP3 1501 78.004 72.829 38.442 1.00 0.00 WT1 O ATOM 7424 H1 TIP3 1501 78.858 73.193 38.207 1.00 0.00 WT1 H ATOM 7425 H2 TIP3 1501 77.862 72.124 37.811 1.00 0.00 WT1 H ATOM 7426 OH2 TIP3 1502 52.573 41.055 41.415 1.00 0.00 WT1 O ATOM 7427 H1 TIP3 1502 51.827 40.808 40.869 1.00 0.00 WT1 H ATOM 7428 H2 TIP3 1502 52.458 41.993 41.569 1.00 0.00 WT1 H ATOM 7429 OH2 TIP3 1503 23.490 42.473 -0.607 1.00 0.00 WT1 O ATOM 7430 H1 TIP3 1503 23.554 41.523 -0.709 1.00 0.00 WT1 H ATOM 7431 H2 TIP3 1503 22.596 42.622 -0.301 1.00 0.00 WT1 H ATOM 7432 OH2 TIP3 1504 35.561 33.099 9.644 1.00 0.00 WT1 O ATOM 7433 H1 TIP3 1504 36.031 33.262 10.462 1.00 0.00 WT1 H ATOM 7434 H2 TIP3 1504 34.969 32.375 9.847 1.00 0.00 WT1 H ATOM 7435 OH2 TIP3 1505 33.935 76.922 21.337 1.00 0.00 WT1 O ATOM 7436 H1 TIP3 1505 34.026 76.026 21.012 1.00 0.00 WT1 H ATOM 7437 H2 TIP3 1505 33.111 76.919 21.824 1.00 0.00 WT1 H ATOM 7438 OH2 TIP3 1508 36.930 12.323 27.514 1.00 0.00 WT1 O ATOM 7439 H1 TIP3 1508 36.258 12.910 27.167 1.00 0.00 WT1 H ATOM 7440 H2 TIP3 1508 36.712 11.466 27.149 1.00 0.00 WT1 H ATOM 7441 OH2 TIP3 1509 21.567 12.780 55.693 1.00 0.00 WT1 O ATOM 7442 H1 TIP3 1509 22.148 12.319 56.299 1.00 0.00 WT1 H ATOM 7443 H2 TIP3 1509 20.819 12.193 55.585 1.00 0.00 WT1 H ATOM 7444 OH2 TIP3 1510 72.322 39.665 59.420 1.00 0.00 WT1 O ATOM 7445 H1 TIP3 1510 71.369 39.595 59.375 1.00 0.00 WT1 H ATOM 7446 H2 TIP3 1510 72.552 40.272 58.716 1.00 0.00 WT1 H ATOM 7447 OH2 TIP3 1511 65.126 33.674 19.257 1.00 0.00 WT1 O ATOM 7448 H1 TIP3 1511 64.585 34.462 19.297 1.00 0.00 WT1 H ATOM 7449 H2 TIP3 1511 64.745 33.087 19.911 1.00 0.00 WT1 H ATOM 7450 OH2 TIP3 1512 84.329 31.266 64.235 1.00 0.00 WT1 O ATOM 7451 H1 TIP3 1512 84.941 31.552 63.556 1.00 0.00 WT1 H ATOM 7452 H2 TIP3 1512 83.463 31.431 63.863 1.00 0.00 WT1 H ATOM 7453 OH2 TIP3 1514 73.549 24.978 9.669 1.00 0.00 WT1 O ATOM 7454 H1 TIP3 1514 73.533 24.732 10.594 1.00 0.00 WT1 H ATOM 7455 H2 TIP3 1514 74.059 24.287 9.246 1.00 0.00 WT1 H ATOM 7456 OH2 TIP3 1515 76.206 24.584 55.665 1.00 0.00 WT1 O ATOM 7457 H1 TIP3 1515 75.705 24.014 55.082 1.00 0.00 WT1 H ATOM 7458 H2 TIP3 1515 76.130 25.454 55.273 1.00 0.00 WT1 H ATOM 7459 OH2 TIP3 1516 54.022 45.936 -1.498 1.00 0.00 WT1 O ATOM 7460 H1 TIP3 1516 54.428 46.770 -1.258 1.00 0.00 WT1 H ATOM 7461 H2 TIP3 1516 54.093 45.399 -0.708 1.00 0.00 WT1 H ATOM 7462 OH2 TIP3 1517 47.014 45.568 -2.718 1.00 0.00 WT1 O ATOM 7463 H1 TIP3 1517 47.832 45.518 -3.212 1.00 0.00 WT1 H ATOM 7464 H2 TIP3 1517 47.167 46.256 -2.070 1.00 0.00 WT1 H ATOM 7465 OH2 TIP3 1518 80.046 55.304 49.667 1.00 0.00 WT1 O ATOM 7466 H1 TIP3 1518 79.465 55.921 50.111 1.00 0.00 WT1 H ATOM 7467 H2 TIP3 1518 80.921 55.529 49.982 1.00 0.00 WT1 H ATOM 7468 OH2 TIP3 1519 49.299 12.495 60.487 1.00 0.00 WT1 O ATOM 7469 H1 TIP3 1519 48.820 11.817 60.964 1.00 0.00 WT1 H ATOM 7470 H2 TIP3 1519 50.218 12.334 60.699 1.00 0.00 WT1 H ATOM 7471 OH2 TIP3 1520 86.065 15.751 6.786 1.00 0.00 WT1 O ATOM 7472 H1 TIP3 1520 85.246 16.123 7.112 1.00 0.00 WT1 H ATOM 7473 H2 TIP3 1520 86.750 16.259 7.221 1.00 0.00 WT1 H ATOM 7474 OH2 TIP3 1521 55.844 64.727 43.894 1.00 0.00 WT1 O ATOM 7475 H1 TIP3 1521 55.014 64.766 44.369 1.00 0.00 WT1 H ATOM 7476 H2 TIP3 1521 55.825 63.880 43.447 1.00 0.00 WT1 H ATOM 7477 OH2 TIP3 1522 62.054 70.081 29.033 1.00 0.00 WT1 O ATOM 7478 H1 TIP3 1522 62.386 70.443 28.211 1.00 0.00 WT1 H ATOM 7479 H2 TIP3 1522 61.126 69.915 28.865 1.00 0.00 WT1 H ATOM 7480 OH2 TIP3 1523 27.058 45.224 63.397 1.00 0.00 WT1 O ATOM 7481 H1 TIP3 1523 27.961 45.377 63.674 1.00 0.00 WT1 H ATOM 7482 H2 TIP3 1523 26.933 44.280 63.493 1.00 0.00 WT1 H ATOM 7483 OH2 TIP3 1524 70.360 42.326 24.790 1.00 0.00 WT1 O ATOM 7484 H1 TIP3 1524 71.186 42.672 25.129 1.00 0.00 WT1 H ATOM 7485 H2 TIP3 1524 69.685 42.776 25.297 1.00 0.00 WT1 H ATOM 7486 OH2 TIP3 1525 36.698 4.587 -1.360 1.00 0.00 WT1 O ATOM 7487 H1 TIP3 1525 37.495 4.988 -1.016 1.00 0.00 WT1 H ATOM 7488 H2 TIP3 1525 36.996 3.779 -1.777 1.00 0.00 WT1 H ATOM 7489 OH2 TIP3 1527 75.665 34.829 15.231 1.00 0.00 WT1 O ATOM 7490 H1 TIP3 1527 76.128 35.483 15.755 1.00 0.00 WT1 H ATOM 7491 H2 TIP3 1527 75.331 34.201 15.872 1.00 0.00 WT1 H ATOM 7492 OH2 TIP3 1530 39.529 64.755 42.468 1.00 0.00 WT1 O ATOM 7493 H1 TIP3 1530 40.064 65.161 41.785 1.00 0.00 WT1 H ATOM 7494 H2 TIP3 1530 39.267 65.483 43.032 1.00 0.00 WT1 H ATOM 7495 OH2 TIP3 1531 74.620 38.272 59.839 1.00 0.00 WT1 O ATOM 7496 H1 TIP3 1531 73.710 38.461 59.610 1.00 0.00 WT1 H ATOM 7497 H2 TIP3 1531 74.585 37.429 60.291 1.00 0.00 WT1 H ATOM 7498 OH2 TIP3 1532 35.626 79.486 -12.596 1.00 0.00 WT1 O ATOM 7499 H1 TIP3 1532 35.838 79.685 -11.684 1.00 0.00 WT1 H ATOM 7500 H2 TIP3 1532 35.793 80.304 -13.065 1.00 0.00 WT1 H ATOM 7501 OH2 TIP3 1533 63.213 38.239 64.845 1.00 0.00 WT1 O ATOM 7502 H1 TIP3 1533 63.190 37.297 64.681 1.00 0.00 WT1 H ATOM 7503 H2 TIP3 1533 62.822 38.342 65.713 1.00 0.00 WT1 H ATOM 7504 OH2 TIP3 1534 41.083 29.378 -3.420 1.00 0.00 WT1 O ATOM 7505 H1 TIP3 1534 41.461 29.270 -2.547 1.00 0.00 WT1 H ATOM 7506 H2 TIP3 1534 40.137 29.340 -3.279 1.00 0.00 WT1 H ATOM 7507 OH2 TIP3 1536 74.344 77.002 18.831 1.00 0.00 WT1 O ATOM 7508 H1 TIP3 1536 74.776 77.345 19.614 1.00 0.00 WT1 H ATOM 7509 H2 TIP3 1536 74.344 76.053 18.954 1.00 0.00 WT1 H ATOM 7510 OH2 TIP3 1537 70.866 47.925 18.840 1.00 0.00 WT1 O ATOM 7511 H1 TIP3 1537 70.499 47.057 18.674 1.00 0.00 WT1 H ATOM 7512 H2 TIP3 1537 70.128 48.439 19.169 1.00 0.00 WT1 H ATOM 7513 OH2 TIP3 1538 40.668 79.486 10.193 1.00 0.00 WT1 O ATOM 7514 H1 TIP3 1538 40.941 79.317 9.291 1.00 0.00 WT1 H ATOM 7515 H2 TIP3 1538 41.037 78.759 10.695 1.00 0.00 WT1 H ATOM 7516 OH2 TIP3 1539 83.834 68.578 -0.312 1.00 0.00 WT1 O ATOM 7517 H1 TIP3 1539 83.200 67.882 -0.139 1.00 0.00 WT1 H ATOM 7518 H2 TIP3 1539 84.236 68.753 0.538 1.00 0.00 WT1 H ATOM 7519 OH2 TIP3 1540 27.724 10.112 51.648 1.00 0.00 WT1 O ATOM 7520 H1 TIP3 1540 28.445 9.864 52.227 1.00 0.00 WT1 H ATOM 7521 H2 TIP3 1540 28.006 9.828 50.778 1.00 0.00 WT1 H ATOM 7522 OH2 TIP3 1541 76.443 46.325 49.273 1.00 0.00 WT1 O ATOM 7523 H1 TIP3 1541 76.748 47.211 49.078 1.00 0.00 WT1 H ATOM 7524 H2 TIP3 1541 75.644 46.453 49.784 1.00 0.00 WT1 H ATOM 7525 OH2 TIP3 1542 88.015 29.349 20.437 1.00 0.00 WT1 O ATOM 7526 H1 TIP3 1542 88.345 29.894 21.152 1.00 0.00 WT1 H ATOM 7527 H2 TIP3 1542 87.087 29.227 20.638 1.00 0.00 WT1 H ATOM 7528 OH2 TIP3 1543 64.790 20.095 3.613 1.00 0.00 WT1 O ATOM 7529 H1 TIP3 1543 64.443 20.749 3.006 1.00 0.00 WT1 H ATOM 7530 H2 TIP3 1543 65.648 20.436 3.868 1.00 0.00 WT1 H ATOM 7531 OH2 TIP3 1544 39.377 60.098 -19.181 1.00 0.00 WT1 O ATOM 7532 H1 TIP3 1544 39.427 59.529 -18.413 1.00 0.00 WT1 H ATOM 7533 H2 TIP3 1544 39.194 59.504 -19.909 1.00 0.00 WT1 H ATOM 7534 OH2 TIP3 1545 44.382 72.037 63.944 1.00 0.00 WT1 O ATOM 7535 H1 TIP3 1545 44.538 71.963 64.885 1.00 0.00 WT1 H ATOM 7536 H2 TIP3 1545 45.224 71.820 63.543 1.00 0.00 WT1 H ATOM 7537 OH2 TIP3 1546 60.304 21.467 41.934 1.00 0.00 WT1 O ATOM 7538 H1 TIP3 1546 60.094 21.231 41.030 1.00 0.00 WT1 H ATOM 7539 H2 TIP3 1546 61.086 22.014 41.863 1.00 0.00 WT1 H ATOM 7540 OH2 TIP3 1548 40.091 78.478 -12.977 1.00 0.00 WT1 O ATOM 7541 H1 TIP3 1548 39.477 78.184 -12.304 1.00 0.00 WT1 H ATOM 7542 H2 TIP3 1548 40.081 77.780 -13.632 1.00 0.00 WT1 H ATOM 7543 OH2 TIP3 1549 80.197 46.931 51.011 1.00 0.00 WT1 O ATOM 7544 H1 TIP3 1549 80.402 47.361 51.841 1.00 0.00 WT1 H ATOM 7545 H2 TIP3 1549 79.852 47.631 50.457 1.00 0.00 WT1 H ATOM 7546 OH2 TIP3 1550 41.657 73.943 27.115 1.00 0.00 WT1 O ATOM 7547 H1 TIP3 1550 41.734 73.596 28.004 1.00 0.00 WT1 H ATOM 7548 H2 TIP3 1550 42.241 73.395 26.592 1.00 0.00 WT1 H ATOM 7549 OH2 TIP3 1551 22.234 10.142 47.955 1.00 0.00 WT1 O ATOM 7550 H1 TIP3 1551 22.603 9.539 47.310 1.00 0.00 WT1 H ATOM 7551 H2 TIP3 1551 21.811 10.824 47.433 1.00 0.00 WT1 H ATOM 7552 OH2 TIP3 1552 65.361 94.225 15.320 1.00 0.00 WT1 O ATOM 7553 H1 TIP3 1552 66.016 93.532 15.408 1.00 0.00 WT1 H ATOM 7554 H2 TIP3 1552 65.862 95.038 15.380 1.00 0.00 WT1 H ATOM 7555 OH2 TIP3 1553 36.116 44.393 33.481 1.00 0.00 WT1 O ATOM 7556 H1 TIP3 1553 36.546 44.819 34.222 1.00 0.00 WT1 H ATOM 7557 H2 TIP3 1553 36.767 43.774 33.149 1.00 0.00 WT1 H ATOM 7558 OH2 TIP3 1554 49.966 65.011 -15.306 1.00 0.00 WT1 O ATOM 7559 H1 TIP3 1554 50.217 65.889 -15.019 1.00 0.00 WT1 H ATOM 7560 H2 TIP3 1554 49.240 64.769 -14.731 1.00 0.00 WT1 H ATOM 7561 OH2 TIP3 1555 34.133 30.491 -10.945 1.00 0.00 WT1 O ATOM 7562 H1 TIP3 1555 34.969 30.874 -11.211 1.00 0.00 WT1 H ATOM 7563 H2 TIP3 1555 33.863 31.007 -10.184 1.00 0.00 WT1 H ATOM 7564 OH2 TIP3 1556 37.154 56.277 7.742 1.00 0.00 WT1 O ATOM 7565 H1 TIP3 1556 37.271 56.386 8.685 1.00 0.00 WT1 H ATOM 7566 H2 TIP3 1556 37.074 55.331 7.618 1.00 0.00 WT1 H ATOM 7567 OH2 TIP3 1557 46.738 24.981 -4.620 1.00 0.00 WT1 O ATOM 7568 H1 TIP3 1557 46.392 25.668 -5.189 1.00 0.00 WT1 H ATOM 7569 H2 TIP3 1557 47.106 25.451 -3.872 1.00 0.00 WT1 H ATOM 7570 OH2 TIP3 1558 23.338 33.144 27.148 1.00 0.00 WT1 O ATOM 7571 H1 TIP3 1558 23.340 34.090 27.295 1.00 0.00 WT1 H ATOM 7572 H2 TIP3 1558 23.734 33.034 26.284 1.00 0.00 WT1 H ATOM 7573 OH2 TIP3 1559 53.844 74.317 26.541 1.00 0.00 WT1 O ATOM 7574 H1 TIP3 1559 54.317 74.645 25.777 1.00 0.00 WT1 H ATOM 7575 H2 TIP3 1559 53.156 73.760 26.177 1.00 0.00 WT1 H ATOM 7576 OH2 TIP3 1560 66.089 49.293 -14.385 1.00 0.00 WT1 O ATOM 7577 H1 TIP3 1560 66.885 49.512 -13.900 1.00 0.00 WT1 H ATOM 7578 H2 TIP3 1560 65.395 49.307 -13.726 1.00 0.00 WT1 H ATOM 7579 OH2 TIP3 1561 33.699 11.094 42.016 1.00 0.00 WT1 O ATOM 7580 H1 TIP3 1561 34.516 11.424 41.640 1.00 0.00 WT1 H ATOM 7581 H2 TIP3 1561 33.446 10.371 41.442 1.00 0.00 WT1 H ATOM 7582 OH2 TIP3 1562 29.034 79.055 -0.477 1.00 0.00 WT1 O ATOM 7583 H1 TIP3 1562 29.821 78.696 -0.886 1.00 0.00 WT1 H ATOM 7584 H2 TIP3 1562 28.600 78.297 -0.085 1.00 0.00 WT1 H ATOM 7585 OH2 TIP3 1563 41.936 44.322 38.701 1.00 0.00 WT1 O ATOM 7586 H1 TIP3 1563 41.686 43.939 39.542 1.00 0.00 WT1 H ATOM 7587 H2 TIP3 1563 42.482 43.654 38.286 1.00 0.00 WT1 H ATOM 7588 OH2 TIP3 1564 37.111 0.731 -17.056 1.00 0.00 WT1 O ATOM 7589 H1 TIP3 1564 37.521 1.362 -16.465 1.00 0.00 WT1 H ATOM 7590 H2 TIP3 1564 36.986 -0.053 -16.521 1.00 0.00 WT1 H ATOM 7591 OH2 TIP3 1565 89.775 6.494 -7.776 1.00 0.00 WT1 O ATOM 7592 H1 TIP3 1565 89.884 7.291 -7.258 1.00 0.00 WT1 H ATOM 7593 H2 TIP3 1565 88.896 6.568 -8.148 1.00 0.00 WT1 H ATOM 7594 OH2 TIP3 1566 85.096 19.602 64.740 1.00 0.00 WT1 O ATOM 7595 H1 TIP3 1566 84.755 19.411 65.614 1.00 0.00 WT1 H ATOM 7596 H2 TIP3 1566 85.347 20.525 64.776 1.00 0.00 WT1 H ATOM 7597 OH2 TIP3 1567 43.611 50.144 25.256 1.00 0.00 WT1 O ATOM 7598 H1 TIP3 1567 44.325 50.211 24.623 1.00 0.00 WT1 H ATOM 7599 H2 TIP3 1567 43.590 49.218 25.498 1.00 0.00 WT1 H ATOM 7600 OH2 TIP3 1569 56.812 54.862 20.287 1.00 0.00 WT1 O ATOM 7601 H1 TIP3 1569 56.468 54.397 21.049 1.00 0.00 WT1 H ATOM 7602 H2 TIP3 1569 56.211 54.637 19.577 1.00 0.00 WT1 H ATOM 7603 OH2 TIP3 1570 83.354 25.282 32.373 1.00 0.00 WT1 O ATOM 7604 H1 TIP3 1570 84.198 25.207 31.927 1.00 0.00 WT1 H ATOM 7605 H2 TIP3 1570 83.358 26.162 32.749 1.00 0.00 WT1 H ATOM 7606 OH2 TIP3 1571 36.776 79.356 45.461 1.00 0.00 WT1 O ATOM 7607 H1 TIP3 1571 35.971 79.840 45.277 1.00 0.00 WT1 H ATOM 7608 H2 TIP3 1571 36.772 78.635 44.832 1.00 0.00 WT1 H ATOM 7609 OH2 TIP3 1572 35.631 9.826 60.357 1.00 0.00 WT1 O ATOM 7610 H1 TIP3 1572 35.697 9.245 61.115 1.00 0.00 WT1 H ATOM 7611 H2 TIP3 1572 34.960 10.464 60.601 1.00 0.00 WT1 H ATOM 7612 OH2 TIP3 1574 73.306 43.793 26.765 1.00 0.00 WT1 O ATOM 7613 H1 TIP3 1574 74.226 43.977 26.577 1.00 0.00 WT1 H ATOM 7614 H2 TIP3 1574 72.857 43.939 25.933 1.00 0.00 WT1 H ATOM 7615 OH2 TIP3 1575 69.042 2.278 39.316 1.00 0.00 WT1 O ATOM 7616 H1 TIP3 1575 69.294 1.584 38.706 1.00 0.00 WT1 H ATOM 7617 H2 TIP3 1575 68.287 2.697 38.903 1.00 0.00 WT1 H ATOM 7618 OH2 TIP3 1576 27.964 42.277 57.871 1.00 0.00 WT1 O ATOM 7619 H1 TIP3 1576 27.637 41.447 57.522 1.00 0.00 WT1 H ATOM 7620 H2 TIP3 1576 28.869 42.092 58.120 1.00 0.00 WT1 H ATOM 7621 OH2 TIP3 1577 23.907 35.311 -6.606 1.00 0.00 WT1 O ATOM 7622 H1 TIP3 1577 23.056 34.879 -6.538 1.00 0.00 WT1 H ATOM 7623 H2 TIP3 1577 24.470 34.666 -7.034 1.00 0.00 WT1 H ATOM 7624 OH2 TIP3 1578 45.821 42.058 38.491 1.00 0.00 WT1 O ATOM 7625 H1 TIP3 1578 45.404 41.468 37.862 1.00 0.00 WT1 H ATOM 7626 H2 TIP3 1578 46.697 41.693 38.617 1.00 0.00 WT1 H ATOM 7627 OH2 TIP3 1579 47.854 40.804 -7.505 1.00 0.00 WT1 O ATOM 7628 H1 TIP3 1579 48.713 40.818 -7.928 1.00 0.00 WT1 H ATOM 7629 H2 TIP3 1579 47.891 41.514 -6.864 1.00 0.00 WT1 H ATOM 7630 OH2 TIP3 1580 27.156 66.514 -12.846 1.00 0.00 WT1 O ATOM 7631 H1 TIP3 1580 28.000 66.277 -13.231 1.00 0.00 WT1 H ATOM 7632 H2 TIP3 1580 27.312 67.361 -12.428 1.00 0.00 WT1 H ATOM 7633 OH2 TIP3 1581 73.785 34.540 -10.690 1.00 0.00 WT1 O ATOM 7634 H1 TIP3 1581 73.528 35.393 -10.342 1.00 0.00 WT1 H ATOM 7635 H2 TIP3 1581 74.738 34.524 -10.609 1.00 0.00 WT1 H ATOM 7636 OH2 TIP3 1582 44.351 7.258 34.154 1.00 0.00 WT1 O ATOM 7637 H1 TIP3 1582 44.987 7.326 34.866 1.00 0.00 WT1 H ATOM 7638 H2 TIP3 1582 44.876 7.040 33.384 1.00 0.00 WT1 H ATOM 7639 OH2 TIP3 1583 24.718 24.573 0.657 1.00 0.00 WT1 O ATOM 7640 H1 TIP3 1583 24.036 25.138 1.021 1.00 0.00 WT1 H ATOM 7641 H2 TIP3 1583 24.312 24.172 -0.112 1.00 0.00 WT1 H ATOM 7642 OH2 TIP3 1584 41.075 15.824 26.128 1.00 0.00 WT1 O ATOM 7643 H1 TIP3 1584 40.363 15.299 25.762 1.00 0.00 WT1 H ATOM 7644 H2 TIP3 1584 41.187 15.490 27.018 1.00 0.00 WT1 H ATOM 7645 OH2 TIP3 1585 41.904 74.787 -10.329 1.00 0.00 WT1 O ATOM 7646 H1 TIP3 1585 41.738 75.625 -10.759 1.00 0.00 WT1 H ATOM 7647 H2 TIP3 1585 42.840 74.634 -10.455 1.00 0.00 WT1 H ATOM 7648 OH2 TIP3 1586 40.089 37.254 32.884 1.00 0.00 WT1 O ATOM 7649 H1 TIP3 1586 39.719 38.052 33.262 1.00 0.00 WT1 H ATOM 7650 H2 TIP3 1586 40.568 37.554 32.111 1.00 0.00 WT1 H ATOM 7651 OH2 TIP3 1587 65.560 23.310 61.556 1.00 0.00 WT1 O ATOM 7652 H1 TIP3 1587 66.368 23.513 62.026 1.00 0.00 WT1 H ATOM 7653 H2 TIP3 1587 65.200 24.164 61.317 1.00 0.00 WT1 H ATOM 7654 OH2 TIP3 1588 57.974 46.244 17.920 1.00 0.00 WT1 O ATOM 7655 H1 TIP3 1588 57.457 46.239 18.725 1.00 0.00 WT1 H ATOM 7656 H2 TIP3 1588 57.861 47.127 17.567 1.00 0.00 WT1 H ATOM 7657 OH2 TIP3 1589 84.009 22.447 -10.745 1.00 0.00 WT1 O ATOM 7658 H1 TIP3 1589 83.231 21.941 -10.977 1.00 0.00 WT1 H ATOM 7659 H2 TIP3 1589 84.258 22.120 -9.880 1.00 0.00 WT1 H ATOM 7660 OH2 TIP3 1590 32.421 51.982 43.732 1.00 0.00 WT1 O ATOM 7661 H1 TIP3 1590 33.350 51.753 43.695 1.00 0.00 WT1 H ATOM 7662 H2 TIP3 1590 32.399 52.819 44.197 1.00 0.00 WT1 H ATOM 7663 OH2 TIP3 1591 41.348 18.488 11.464 1.00 0.00 WT1 O ATOM 7664 H1 TIP3 1591 42.100 18.682 10.905 1.00 0.00 WT1 H ATOM 7665 H2 TIP3 1591 41.233 17.541 11.391 1.00 0.00 WT1 H ATOM 7666 OH2 TIP3 1592 80.898 61.898 10.567 1.00 0.00 WT1 O ATOM 7667 H1 TIP3 1592 81.412 61.118 10.357 1.00 0.00 WT1 H ATOM 7668 H2 TIP3 1592 80.384 61.647 11.334 1.00 0.00 WT1 H ATOM 7669 OH2 TIP3 1594 33.285 31.206 62.697 1.00 0.00 WT1 O ATOM 7670 H1 TIP3 1594 32.689 31.233 63.446 1.00 0.00 WT1 H ATOM 7671 H2 TIP3 1594 32.741 30.906 61.969 1.00 0.00 WT1 H ATOM 7672 OH2 TIP3 1596 68.682 2.288 51.849 1.00 0.00 WT1 O ATOM 7673 H1 TIP3 1596 69.000 3.110 51.475 1.00 0.00 WT1 H ATOM 7674 H2 TIP3 1596 67.880 2.529 52.312 1.00 0.00 WT1 H ATOM 7675 OH2 TIP3 1597 84.880 30.837 -9.336 1.00 0.00 WT1 O ATOM 7676 H1 TIP3 1597 84.306 30.697 -8.583 1.00 0.00 WT1 H ATOM 7677 H2 TIP3 1597 85.755 30.928 -8.957 1.00 0.00 WT1 H ATOM 7678 OH2 TIP3 1598 34.680 56.612 43.450 1.00 0.00 WT1 O ATOM 7679 H1 TIP3 1598 35.204 56.194 44.134 1.00 0.00 WT1 H ATOM 7680 H2 TIP3 1598 35.313 56.843 42.770 1.00 0.00 WT1 H ATOM 7681 OH2 TIP3 1599 41.294 45.161 -5.586 1.00 0.00 WT1 O ATOM 7682 H1 TIP3 1599 40.809 45.638 -6.259 1.00 0.00 WT1 H ATOM 7683 H2 TIP3 1599 41.482 45.817 -4.915 1.00 0.00 WT1 H ATOM 7684 OH2 TIP3 1600 57.786 61.224 44.617 1.00 0.00 WT1 O ATOM 7685 H1 TIP3 1600 56.967 60.732 44.678 1.00 0.00 WT1 H ATOM 7686 H2 TIP3 1600 58.268 60.800 43.907 1.00 0.00 WT1 H ATOM 7687 OH2 TIP3 1601 78.619 62.409 -6.124 1.00 0.00 WT1 O ATOM 7688 H1 TIP3 1601 78.034 63.008 -5.659 1.00 0.00 WT1 H ATOM 7689 H2 TIP3 1601 79.485 62.589 -5.760 1.00 0.00 WT1 H ATOM 7690 OH2 TIP3 1602 37.051 62.968 4.856 1.00 0.00 WT1 O ATOM 7691 H1 TIP3 1602 37.721 62.933 4.173 1.00 0.00 WT1 H ATOM 7692 H2 TIP3 1602 37.286 62.262 5.458 1.00 0.00 WT1 H ATOM 7693 OH2 TIP3 1603 31.444 66.330 64.654 1.00 0.00 WT1 O ATOM 7694 H1 TIP3 1603 31.234 66.013 65.532 1.00 0.00 WT1 H ATOM 7695 H2 TIP3 1603 30.625 66.707 64.332 1.00 0.00 WT1 H ATOM 7696 OH2 TIP3 1604 82.353 47.726 19.028 1.00 0.00 WT1 O ATOM 7697 H1 TIP3 1604 81.591 47.167 18.883 1.00 0.00 WT1 H ATOM 7698 H2 TIP3 1604 83.059 47.301 18.540 1.00 0.00 WT1 H ATOM 7699 OH2 TIP3 1605 68.019 53.550 38.848 1.00 0.00 WT1 O ATOM 7700 H1 TIP3 1605 67.433 53.513 38.093 1.00 0.00 WT1 H ATOM 7701 H2 TIP3 1605 67.467 53.861 39.566 1.00 0.00 WT1 H ATOM 7702 OH2 TIP3 1606 70.427 42.578 44.777 1.00 0.00 WT1 O ATOM 7703 H1 TIP3 1606 71.190 42.457 44.212 1.00 0.00 WT1 H ATOM 7704 H2 TIP3 1606 70.692 42.209 45.620 1.00 0.00 WT1 H ATOM 7705 OH2 TIP3 1607 88.162 32.840 -18.868 1.00 0.00 WT1 O ATOM 7706 H1 TIP3 1607 87.952 33.725 -18.571 1.00 0.00 WT1 H ATOM 7707 H2 TIP3 1607 89.118 32.827 -18.926 1.00 0.00 WT1 H ATOM 7708 OH2 TIP3 1608 57.066 85.204 56.420 1.00 0.00 WT1 O ATOM 7709 H1 TIP3 1608 56.402 84.855 55.825 1.00 0.00 WT1 H ATOM 7710 H2 TIP3 1608 57.011 86.153 56.310 1.00 0.00 WT1 H ATOM 7711 OH2 TIP3 1609 33.858 55.132 6.481 1.00 0.00 WT1 O ATOM 7712 H1 TIP3 1609 34.579 54.937 7.079 1.00 0.00 WT1 H ATOM 7713 H2 TIP3 1609 34.276 55.547 5.727 1.00 0.00 WT1 H ATOM 7714 OH2 TIP3 1611 83.990 41.349 -0.983 1.00 0.00 WT1 O ATOM 7715 H1 TIP3 1611 83.696 42.137 -1.441 1.00 0.00 WT1 H ATOM 7716 H2 TIP3 1611 83.200 41.006 -0.565 1.00 0.00 WT1 H ATOM 7717 OH2 TIP3 1612 77.108 76.856 13.422 1.00 0.00 WT1 O ATOM 7718 H1 TIP3 1612 76.250 77.219 13.642 1.00 0.00 WT1 H ATOM 7719 H2 TIP3 1612 77.445 77.434 12.738 1.00 0.00 WT1 H ATOM 7720 OH2 TIP3 1613 78.601 33.024 35.141 1.00 0.00 WT1 O ATOM 7721 H1 TIP3 1613 78.913 33.922 35.252 1.00 0.00 WT1 H ATOM 7722 H2 TIP3 1613 78.706 32.625 36.005 1.00 0.00 WT1 H ATOM 7723 OH2 TIP3 1614 24.151 42.646 62.870 1.00 0.00 WT1 O ATOM 7724 H1 TIP3 1614 23.977 43.585 62.803 1.00 0.00 WT1 H ATOM 7725 H2 TIP3 1614 25.071 42.554 62.624 1.00 0.00 WT1 H ATOM 7726 OH2 TIP3 1615 47.575 48.054 35.850 1.00 0.00 WT1 O ATOM 7727 H1 TIP3 1615 48.160 47.539 35.294 1.00 0.00 WT1 H ATOM 7728 H2 TIP3 1615 48.101 48.264 36.621 1.00 0.00 WT1 H ATOM 7729 OH2 TIP3 1616 45.461 87.980 54.998 1.00 0.00 WT1 O ATOM 7730 H1 TIP3 1616 44.919 87.565 55.669 1.00 0.00 WT1 H ATOM 7731 H2 TIP3 1616 44.930 88.711 54.679 1.00 0.00 WT1 H ATOM 7732 OH2 TIP3 1617 64.224 58.956 2.359 1.00 0.00 WT1 O ATOM 7733 H1 TIP3 1617 63.707 59.570 1.838 1.00 0.00 WT1 H ATOM 7734 H2 TIP3 1617 63.716 58.835 3.161 1.00 0.00 WT1 H ATOM 7735 OH2 TIP3 1618 46.014 46.535 46.306 1.00 0.00 WT1 O ATOM 7736 H1 TIP3 1618 46.186 46.765 45.393 1.00 0.00 WT1 H ATOM 7737 H2 TIP3 1618 46.414 47.243 46.811 1.00 0.00 WT1 H ATOM 7738 OH2 TIP3 1619 23.410 92.719 2.467 1.00 0.00 WT1 O ATOM 7739 H1 TIP3 1619 22.630 92.167 2.412 1.00 0.00 WT1 H ATOM 7740 H2 TIP3 1619 24.118 92.170 2.130 1.00 0.00 WT1 H ATOM 7741 OH2 TIP3 1620 50.883 95.205 -15.067 1.00 0.00 WT1 O ATOM 7742 H1 TIP3 1620 50.412 94.387 -14.907 1.00 0.00 WT1 H ATOM 7743 H2 TIP3 1620 50.492 95.555 -15.867 1.00 0.00 WT1 H ATOM 7744 OH2 TIP3 1621 80.840 23.062 45.656 1.00 0.00 WT1 O ATOM 7745 H1 TIP3 1621 79.916 23.288 45.543 1.00 0.00 WT1 H ATOM 7746 H2 TIP3 1621 81.263 23.890 45.885 1.00 0.00 WT1 H ATOM 7747 OH2 TIP3 1622 66.838 36.306 66.519 1.00 0.00 WT1 O ATOM 7748 H1 TIP3 1622 66.229 35.582 66.670 1.00 0.00 WT1 H ATOM 7749 H2 TIP3 1622 67.468 36.243 67.236 1.00 0.00 WT1 H ATOM 7750 OH2 TIP3 1623 88.773 61.611 64.831 1.00 0.00 WT1 O ATOM 7751 H1 TIP3 1623 89.096 61.026 65.516 1.00 0.00 WT1 H ATOM 7752 H2 TIP3 1623 88.225 61.054 64.278 1.00 0.00 WT1 H ATOM 7753 OH2 TIP3 1624 33.324 11.945 4.122 1.00 0.00 WT1 O ATOM 7754 H1 TIP3 1624 32.401 12.112 3.929 1.00 0.00 WT1 H ATOM 7755 H2 TIP3 1624 33.593 11.301 3.467 1.00 0.00 WT1 H ATOM 7756 OH2 TIP3 1625 64.646 83.304 65.050 1.00 0.00 WT1 O ATOM 7757 H1 TIP3 1625 64.339 82.453 65.363 1.00 0.00 WT1 H ATOM 7758 H2 TIP3 1625 63.909 83.657 64.552 1.00 0.00 WT1 H ATOM 7759 OH2 TIP3 1626 55.151 11.345 24.957 1.00 0.00 WT1 O ATOM 7760 H1 TIP3 1626 55.671 11.386 25.759 1.00 0.00 WT1 H ATOM 7761 H2 TIP3 1626 55.788 11.150 24.269 1.00 0.00 WT1 H ATOM 7762 OH2 TIP3 1627 35.168 2.741 -16.593 1.00 0.00 WT1 O ATOM 7763 H1 TIP3 1627 35.897 2.153 -16.398 1.00 0.00 WT1 H ATOM 7764 H2 TIP3 1627 34.739 2.347 -17.353 1.00 0.00 WT1 H ATOM 7765 OH2 TIP3 1628 86.011 53.539 -9.134 1.00 0.00 WT1 O ATOM 7766 H1 TIP3 1628 85.180 53.642 -9.598 1.00 0.00 WT1 H ATOM 7767 H2 TIP3 1628 86.625 53.240 -9.805 1.00 0.00 WT1 H ATOM 7768 OH2 TIP3 1629 81.261 83.512 54.659 1.00 0.00 WT1 O ATOM 7769 H1 TIP3 1629 80.469 83.484 55.197 1.00 0.00 WT1 H ATOM 7770 H2 TIP3 1629 81.476 82.593 54.501 1.00 0.00 WT1 H ATOM 7771 OH2 TIP3 1630 74.170 68.566 47.974 1.00 0.00 WT1 O ATOM 7772 H1 TIP3 1630 73.951 68.989 48.804 1.00 0.00 WT1 H ATOM 7773 H2 TIP3 1630 75.126 68.530 47.968 1.00 0.00 WT1 H ATOM 7774 OH2 TIP3 1632 25.446 60.158 7.693 1.00 0.00 WT1 O ATOM 7775 H1 TIP3 1632 26.325 60.290 8.050 1.00 0.00 WT1 H ATOM 7776 H2 TIP3 1632 25.072 61.038 7.647 1.00 0.00 WT1 H ATOM 7777 OH2 TIP3 1633 74.714 91.028 46.874 1.00 0.00 WT1 O ATOM 7778 H1 TIP3 1633 74.202 90.359 46.418 1.00 0.00 WT1 H ATOM 7779 H2 TIP3 1633 74.559 91.830 46.375 1.00 0.00 WT1 H ATOM 7780 OH2 TIP3 1634 56.280 27.750 37.386 1.00 0.00 WT1 O ATOM 7781 H1 TIP3 1634 56.503 27.677 36.458 1.00 0.00 WT1 H ATOM 7782 H2 TIP3 1634 56.248 28.692 37.551 1.00 0.00 WT1 H ATOM 7783 OH2 TIP3 1635 39.589 42.577 20.494 1.00 0.00 WT1 O ATOM 7784 H1 TIP3 1635 39.897 43.471 20.342 1.00 0.00 WT1 H ATOM 7785 H2 TIP3 1635 40.192 42.223 21.148 1.00 0.00 WT1 H ATOM 7786 OH2 TIP3 1636 46.543 0.287 1.159 1.00 0.00 WT1 O ATOM 7787 H1 TIP3 1636 46.863 0.473 0.276 1.00 0.00 WT1 H ATOM 7788 H2 TIP3 1636 45.850 -0.361 1.031 1.00 0.00 WT1 H ATOM 7789 OH2 TIP3 1637 29.552 45.289 40.203 1.00 0.00 WT1 O ATOM 7790 H1 TIP3 1637 29.061 46.025 40.568 1.00 0.00 WT1 H ATOM 7791 H2 TIP3 1637 29.092 44.512 40.521 1.00 0.00 WT1 H ATOM 7792 OH2 TIP3 1638 89.005 24.732 15.588 1.00 0.00 WT1 O ATOM 7793 H1 TIP3 1638 88.834 25.550 15.122 1.00 0.00 WT1 H ATOM 7794 H2 TIP3 1638 88.193 24.551 16.062 1.00 0.00 WT1 H ATOM 7795 OH2 TIP3 1639 52.593 6.977 25.588 1.00 0.00 WT1 O ATOM 7796 H1 TIP3 1639 52.059 7.330 26.299 1.00 0.00 WT1 H ATOM 7797 H2 TIP3 1639 52.432 7.568 24.851 1.00 0.00 WT1 H ATOM 7798 OH2 TIP3 1640 85.037 13.112 -5.149 1.00 0.00 WT1 O ATOM 7799 H1 TIP3 1640 85.327 13.881 -4.659 1.00 0.00 WT1 H ATOM 7800 H2 TIP3 1640 85.422 13.221 -6.018 1.00 0.00 WT1 H ATOM 7801 OH2 TIP3 1641 30.792 2.426 66.764 1.00 0.00 WT1 O ATOM 7802 H1 TIP3 1641 31.387 2.403 66.014 1.00 0.00 WT1 H ATOM 7803 H2 TIP3 1641 31.103 3.160 67.294 1.00 0.00 WT1 H ATOM 7804 OH2 TIP3 1642 35.695 45.607 21.473 1.00 0.00 WT1 O ATOM 7805 H1 TIP3 1642 36.579 45.807 21.164 1.00 0.00 WT1 H ATOM 7806 H2 TIP3 1642 35.497 44.750 21.096 1.00 0.00 WT1 H ATOM 7807 OH2 TIP3 1643 74.979 41.417 58.932 1.00 0.00 WT1 O ATOM 7808 H1 TIP3 1643 75.730 41.985 59.104 1.00 0.00 WT1 H ATOM 7809 H2 TIP3 1643 75.294 40.794 58.277 1.00 0.00 WT1 H ATOM 7810 OH2 TIP3 1645 89.094 96.801 1.589 1.00 0.00 WT1 O ATOM 7811 H1 TIP3 1645 89.532 96.372 2.324 1.00 0.00 WT1 H ATOM 7812 H2 TIP3 1645 88.213 96.426 1.582 1.00 0.00 WT1 H ATOM 7813 OH2 TIP3 1646 55.338 21.221 -6.545 1.00 0.00 WT1 O ATOM 7814 H1 TIP3 1646 55.568 20.462 -6.008 1.00 0.00 WT1 H ATOM 7815 H2 TIP3 1646 56.155 21.714 -6.626 1.00 0.00 WT1 H ATOM 7816 OH2 TIP3 1647 49.958 70.481 64.332 1.00 0.00 WT1 O ATOM 7817 H1 TIP3 1647 50.457 70.966 63.675 1.00 0.00 WT1 H ATOM 7818 H2 TIP3 1647 49.417 69.876 63.824 1.00 0.00 WT1 H ATOM 7819 OH2 TIP3 1648 39.048 91.566 11.356 1.00 0.00 WT1 O ATOM 7820 H1 TIP3 1648 38.839 92.366 10.874 1.00 0.00 WT1 H ATOM 7821 H2 TIP3 1648 38.203 91.253 11.679 1.00 0.00 WT1 H ATOM 7822 OH2 TIP3 1649 44.447 40.558 4.803 1.00 0.00 WT1 O ATOM 7823 H1 TIP3 1649 43.663 40.766 5.311 1.00 0.00 WT1 H ATOM 7824 H2 TIP3 1649 44.969 41.360 4.826 1.00 0.00 WT1 H ATOM 7825 OH2 TIP3 1651 60.002 81.571 64.543 1.00 0.00 WT1 O ATOM 7826 H1 TIP3 1651 59.126 81.635 64.163 1.00 0.00 WT1 H ATOM 7827 H2 TIP3 1651 59.952 80.823 65.138 1.00 0.00 WT1 H ATOM 7828 OH2 TIP3 1652 78.787 86.687 58.048 1.00 0.00 WT1 O ATOM 7829 H1 TIP3 1652 79.139 87.575 57.991 1.00 0.00 WT1 H ATOM 7830 H2 TIP3 1652 77.894 86.803 58.374 1.00 0.00 WT1 H ATOM 7831 OH2 TIP3 1653 35.356 70.880 56.543 1.00 0.00 WT1 O ATOM 7832 H1 TIP3 1653 35.347 71.707 56.062 1.00 0.00 WT1 H ATOM 7833 H2 TIP3 1653 34.695 70.342 56.108 1.00 0.00 WT1 H ATOM 7834 OH2 TIP3 1655 27.465 61.934 43.875 1.00 0.00 WT1 O ATOM 7835 H1 TIP3 1655 26.603 62.195 43.552 1.00 0.00 WT1 H ATOM 7836 H2 TIP3 1655 27.835 62.734 44.246 1.00 0.00 WT1 H ATOM 7837 OH2 TIP3 1656 65.986 34.596 42.775 1.00 0.00 WT1 O ATOM 7838 H1 TIP3 1656 65.424 34.332 42.046 1.00 0.00 WT1 H ATOM 7839 H2 TIP3 1656 66.692 35.095 42.364 1.00 0.00 WT1 H ATOM 7840 OH2 TIP3 1657 59.017 95.072 31.727 1.00 0.00 WT1 O ATOM 7841 H1 TIP3 1657 58.997 94.309 32.304 1.00 0.00 WT1 H ATOM 7842 H2 TIP3 1657 58.207 95.012 31.221 1.00 0.00 WT1 H ATOM 7843 OH2 TIP3 1658 66.919 13.201 42.428 1.00 0.00 WT1 O ATOM 7844 H1 TIP3 1658 67.035 14.142 42.559 1.00 0.00 WT1 H ATOM 7845 H2 TIP3 1658 67.781 12.826 42.608 1.00 0.00 WT1 H ATOM 7846 OH2 TIP3 1659 42.674 54.352 62.980 1.00 0.00 WT1 O ATOM 7847 H1 TIP3 1659 42.576 53.898 63.817 1.00 0.00 WT1 H ATOM 7848 H2 TIP3 1659 42.183 55.166 63.090 1.00 0.00 WT1 H ATOM 7849 OH2 TIP3 1660 59.231 57.173 17.116 1.00 0.00 WT1 O ATOM 7850 H1 TIP3 1660 59.537 57.003 16.225 1.00 0.00 WT1 H ATOM 7851 H2 TIP3 1660 58.334 56.840 17.129 1.00 0.00 WT1 H ATOM 7852 OH2 TIP3 1661 84.084 34.015 29.675 1.00 0.00 WT1 O ATOM 7853 H1 TIP3 1661 84.665 34.706 29.991 1.00 0.00 WT1 H ATOM 7854 H2 TIP3 1661 84.101 34.104 28.722 1.00 0.00 WT1 H ATOM 7855 OH2 TIP3 1663 44.100 54.611 65.895 1.00 0.00 WT1 O ATOM 7856 H1 TIP3 1663 44.189 55.105 65.080 1.00 0.00 WT1 H ATOM 7857 H2 TIP3 1663 44.502 55.171 66.559 1.00 0.00 WT1 H ATOM 7858 OH2 TIP3 1664 89.408 30.212 66.370 1.00 0.00 WT1 O ATOM 7859 H1 TIP3 1664 88.523 29.853 66.317 1.00 0.00 WT1 H ATOM 7860 H2 TIP3 1664 89.357 31.047 65.903 1.00 0.00 WT1 H ATOM 7861 OH2 TIP3 1665 56.322 70.007 22.462 1.00 0.00 WT1 O ATOM 7862 H1 TIP3 1665 56.517 69.162 22.059 1.00 0.00 WT1 H ATOM 7863 H2 TIP3 1665 57.179 70.408 22.608 1.00 0.00 WT1 H ATOM 7864 OH2 TIP3 1666 31.966 42.066 6.837 1.00 0.00 WT1 O ATOM 7865 H1 TIP3 1666 32.846 42.173 7.199 1.00 0.00 WT1 H ATOM 7866 H2 TIP3 1666 31.801 42.882 6.364 1.00 0.00 WT1 H ATOM 7867 OH2 TIP3 1667 27.774 88.411 24.783 1.00 0.00 WT1 O ATOM 7868 H1 TIP3 1667 27.358 88.798 25.553 1.00 0.00 WT1 H ATOM 7869 H2 TIP3 1667 28.280 87.675 25.127 1.00 0.00 WT1 H ATOM 7870 OH2 TIP3 1668 66.893 45.705 50.084 1.00 0.00 WT1 O ATOM 7871 H1 TIP3 1668 65.947 45.706 50.232 1.00 0.00 WT1 H ATOM 7872 H2 TIP3 1668 67.001 46.101 49.220 1.00 0.00 WT1 H ATOM 7873 OH2 TIP3 1669 81.204 85.483 -6.090 1.00 0.00 WT1 O ATOM 7874 H1 TIP3 1669 81.980 85.547 -5.533 1.00 0.00 WT1 H ATOM 7875 H2 TIP3 1669 80.582 84.968 -5.576 1.00 0.00 WT1 H ATOM 7876 OH2 TIP3 1670 39.172 92.258 60.983 1.00 0.00 WT1 O ATOM 7877 H1 TIP3 1670 38.308 91.908 61.202 1.00 0.00 WT1 H ATOM 7878 H2 TIP3 1670 39.143 92.390 60.035 1.00 0.00 WT1 H ATOM 7879 OH2 TIP3 1671 27.337 75.274 15.616 1.00 0.00 WT1 O ATOM 7880 H1 TIP3 1671 26.985 74.391 15.505 1.00 0.00 WT1 H ATOM 7881 H2 TIP3 1671 27.493 75.585 14.725 1.00 0.00 WT1 H ATOM 7882 OH2 TIP3 1672 67.967 40.843 -4.372 1.00 0.00 WT1 O ATOM 7883 H1 TIP3 1672 67.139 40.851 -3.891 1.00 0.00 WT1 H ATOM 7884 H2 TIP3 1672 67.945 41.641 -4.901 1.00 0.00 WT1 H ATOM 7885 OH2 TIP3 1673 88.609 60.331 52.447 1.00 0.00 WT1 O ATOM 7886 H1 TIP3 1673 87.939 59.647 52.426 1.00 0.00 WT1 H ATOM 7887 H2 TIP3 1673 88.679 60.569 53.371 1.00 0.00 WT1 H ATOM 7888 OH2 TIP3 1675 61.658 30.241 39.558 1.00 0.00 WT1 O ATOM 7889 H1 TIP3 1675 61.304 29.361 39.434 1.00 0.00 WT1 H ATOM 7890 H2 TIP3 1675 61.012 30.685 40.107 1.00 0.00 WT1 H ATOM 7891 OH2 TIP3 1676 86.425 79.851 19.791 1.00 0.00 WT1 O ATOM 7892 H1 TIP3 1676 87.280 79.516 19.520 1.00 0.00 WT1 H ATOM 7893 H2 TIP3 1676 85.928 79.070 20.034 1.00 0.00 WT1 H ATOM 7894 OH2 TIP3 1677 53.669 90.360 19.535 1.00 0.00 WT1 O ATOM 7895 H1 TIP3 1677 53.175 90.775 20.243 1.00 0.00 WT1 H ATOM 7896 H2 TIP3 1677 54.155 91.078 19.129 1.00 0.00 WT1 H ATOM 7897 OH2 TIP3 1678 79.741 76.490 10.918 1.00 0.00 WT1 O ATOM 7898 H1 TIP3 1678 80.529 76.498 11.462 1.00 0.00 WT1 H ATOM 7899 H2 TIP3 1678 79.909 75.814 10.262 1.00 0.00 WT1 H ATOM 7900 OH2 TIP3 1679 79.569 40.910 -11.850 1.00 0.00 WT1 O ATOM 7901 H1 TIP3 1679 79.295 41.628 -12.420 1.00 0.00 WT1 H ATOM 7902 H2 TIP3 1679 79.582 41.292 -10.972 1.00 0.00 WT1 H ATOM 7903 OH2 TIP3 1680 33.319 64.184 58.215 1.00 0.00 WT1 O ATOM 7904 H1 TIP3 1680 33.131 63.798 57.359 1.00 0.00 WT1 H ATOM 7905 H2 TIP3 1680 32.584 64.775 58.378 1.00 0.00 WT1 H ATOM 7906 OH2 TIP3 1681 52.815 82.624 41.513 1.00 0.00 WT1 O ATOM 7907 H1 TIP3 1681 52.677 83.255 40.806 1.00 0.00 WT1 H ATOM 7908 H2 TIP3 1681 52.375 81.828 41.213 1.00 0.00 WT1 H ATOM 7909 OH2 TIP3 1682 39.412 14.173 25.203 1.00 0.00 WT1 O ATOM 7910 H1 TIP3 1682 39.588 13.243 25.343 1.00 0.00 WT1 H ATOM 7911 H2 TIP3 1682 39.106 14.226 24.297 1.00 0.00 WT1 H ATOM 7912 OH2 TIP3 1683 45.268 12.122 6.354 1.00 0.00 WT1 O ATOM 7913 H1 TIP3 1683 45.136 12.691 7.112 1.00 0.00 WT1 H ATOM 7914 H2 TIP3 1683 44.420 11.698 6.222 1.00 0.00 WT1 H ATOM 7915 OH2 TIP3 1684 66.841 57.979 1.226 1.00 0.00 WT1 O ATOM 7916 H1 TIP3 1684 66.858 58.692 1.864 1.00 0.00 WT1 H ATOM 7917 H2 TIP3 1684 65.966 57.602 1.309 1.00 0.00 WT1 H ATOM 7918 OH2 TIP3 1685 74.272 68.541 -4.424 1.00 0.00 WT1 O ATOM 7919 H1 TIP3 1685 73.921 68.065 -3.672 1.00 0.00 WT1 H ATOM 7920 H2 TIP3 1685 74.108 67.965 -5.171 1.00 0.00 WT1 H ATOM 7921 OH2 TIP3 1686 51.964 64.727 -9.210 1.00 0.00 WT1 O ATOM 7922 H1 TIP3 1686 52.853 64.950 -8.935 1.00 0.00 WT1 H ATOM 7923 H2 TIP3 1686 51.596 64.247 -8.468 1.00 0.00 WT1 H ATOM 7924 OH2 TIP3 1687 83.108 59.022 -10.769 1.00 0.00 WT1 O ATOM 7925 H1 TIP3 1687 83.104 58.075 -10.910 1.00 0.00 WT1 H ATOM 7926 H2 TIP3 1687 82.205 59.234 -10.532 1.00 0.00 WT1 H ATOM 7927 OH2 TIP3 1688 36.267 72.016 35.539 1.00 0.00 WT1 O ATOM 7928 H1 TIP3 1688 36.900 72.686 35.281 1.00 0.00 WT1 H ATOM 7929 H2 TIP3 1688 36.458 71.848 36.462 1.00 0.00 WT1 H ATOM 7930 OH2 TIP3 1689 76.502 51.331 6.102 1.00 0.00 WT1 O ATOM 7931 H1 TIP3 1689 76.253 52.046 6.688 1.00 0.00 WT1 H ATOM 7932 H2 TIP3 1689 77.297 51.642 5.669 1.00 0.00 WT1 H ATOM 7933 OH2 TIP3 1690 38.235 26.110 23.809 1.00 0.00 WT1 O ATOM 7934 H1 TIP3 1690 38.016 27.038 23.726 1.00 0.00 WT1 H ATOM 7935 H2 TIP3 1690 37.577 25.660 23.279 1.00 0.00 WT1 H ATOM 7936 OH2 TIP3 1691 20.961 65.896 0.226 1.00 0.00 WT1 O ATOM 7937 H1 TIP3 1691 20.366 66.066 -0.504 1.00 0.00 WT1 H ATOM 7938 H2 TIP3 1691 21.835 66.017 -0.144 1.00 0.00 WT1 H ATOM 7939 OH2 TIP3 1692 65.185 59.437 -19.083 1.00 0.00 WT1 O ATOM 7940 H1 TIP3 1692 65.260 58.505 -18.878 1.00 0.00 WT1 H ATOM 7941 H2 TIP3 1692 64.276 59.655 -18.879 1.00 0.00 WT1 H ATOM 7942 OH2 TIP3 1693 55.500 48.397 -0.331 1.00 0.00 WT1 O ATOM 7943 H1 TIP3 1693 54.857 48.162 0.338 1.00 0.00 WT1 H ATOM 7944 H2 TIP3 1693 55.677 49.325 -0.178 1.00 0.00 WT1 H ATOM 7945 OH2 TIP3 1694 45.639 5.268 7.703 1.00 0.00 WT1 O ATOM 7946 H1 TIP3 1694 45.463 5.658 8.560 1.00 0.00 WT1 H ATOM 7947 H2 TIP3 1694 46.594 5.244 7.642 1.00 0.00 WT1 H ATOM 7948 OH2 TIP3 1696 87.535 44.743 35.164 1.00 0.00 WT1 O ATOM 7949 H1 TIP3 1696 87.023 45.167 35.852 1.00 0.00 WT1 H ATOM 7950 H2 TIP3 1696 88.413 45.112 35.257 1.00 0.00 WT1 H ATOM 7951 OH2 TIP3 1697 50.774 38.601 53.336 1.00 0.00 WT1 O ATOM 7952 H1 TIP3 1697 49.859 38.407 53.133 1.00 0.00 WT1 H ATOM 7953 H2 TIP3 1697 50.874 38.350 54.254 1.00 0.00 WT1 H ATOM 7954 OH2 TIP3 1698 79.365 55.846 -1.260 1.00 0.00 WT1 O ATOM 7955 H1 TIP3 1698 79.360 55.090 -1.846 1.00 0.00 WT1 H ATOM 7956 H2 TIP3 1698 78.852 55.566 -0.502 1.00 0.00 WT1 H ATOM 7957 OH2 TIP3 1700 57.696 37.989 -18.477 1.00 0.00 WT1 O ATOM 7958 H1 TIP3 1700 56.980 38.218 -17.884 1.00 0.00 WT1 H ATOM 7959 H2 TIP3 1700 57.262 37.704 -19.280 1.00 0.00 WT1 H ATOM 7960 OH2 TIP3 1701 63.894 28.113 9.516 1.00 0.00 WT1 O ATOM 7961 H1 TIP3 1701 63.695 29.014 9.770 1.00 0.00 WT1 H ATOM 7962 H2 TIP3 1701 63.140 27.839 8.994 1.00 0.00 WT1 H ATOM 7963 OH2 TIP3 1702 22.478 15.543 44.435 1.00 0.00 WT1 O ATOM 7964 H1 TIP3 1702 23.150 16.150 44.125 1.00 0.00 WT1 H ATOM 7965 H2 TIP3 1702 22.290 14.986 43.679 1.00 0.00 WT1 H ATOM 7966 OH2 TIP3 1703 90.124 66.588 44.992 1.00 0.00 WT1 O ATOM 7967 H1 TIP3 1703 89.499 65.862 44.987 1.00 0.00 WT1 H ATOM 7968 H2 TIP3 1703 90.857 66.278 44.462 1.00 0.00 WT1 H ATOM 7969 OH2 TIP3 1704 27.981 50.022 -18.814 1.00 0.00 WT1 O ATOM 7970 H1 TIP3 1704 28.712 49.487 -18.504 1.00 0.00 WT1 H ATOM 7971 H2 TIP3 1704 27.263 49.400 -18.934 1.00 0.00 WT1 H ATOM 7972 OH2 TIP3 1706 60.783 45.933 56.064 1.00 0.00 WT1 O ATOM 7973 H1 TIP3 1706 61.380 45.293 56.452 1.00 0.00 WT1 H ATOM 7974 H2 TIP3 1706 60.446 46.429 56.810 1.00 0.00 WT1 H ATOM 7975 OH2 TIP3 1707 79.596 79.639 12.910 1.00 0.00 WT1 O ATOM 7976 H1 TIP3 1707 79.655 78.882 13.492 1.00 0.00 WT1 H ATOM 7977 H2 TIP3 1707 80.029 79.357 12.104 1.00 0.00 WT1 H ATOM 7978 OH2 TIP3 1708 48.235 60.679 3.699 1.00 0.00 WT1 O ATOM 7979 H1 TIP3 1708 48.622 61.550 3.782 1.00 0.00 WT1 H ATOM 7980 H2 TIP3 1708 48.920 60.082 4.000 1.00 0.00 WT1 H ATOM 7981 OH2 TIP3 1710 24.847 54.913 39.045 1.00 0.00 WT1 O ATOM 7982 H1 TIP3 1710 25.429 54.642 38.335 1.00 0.00 WT1 H ATOM 7983 H2 TIP3 1710 24.206 55.486 38.626 1.00 0.00 WT1 H ATOM 7984 OH2 TIP3 1711 28.610 46.533 47.153 1.00 0.00 WT1 O ATOM 7985 H1 TIP3 1711 28.715 47.480 47.055 1.00 0.00 WT1 H ATOM 7986 H2 TIP3 1711 27.673 46.410 47.303 1.00 0.00 WT1 H ATOM 7987 OH2 TIP3 1713 86.526 45.364 61.827 1.00 0.00 WT1 O ATOM 7988 H1 TIP3 1713 85.810 45.852 61.420 1.00 0.00 WT1 H ATOM 7989 H2 TIP3 1713 86.416 45.514 62.766 1.00 0.00 WT1 H ATOM 7990 OH2 TIP3 1714 68.697 9.497 64.249 1.00 0.00 WT1 O ATOM 7991 H1 TIP3 1714 68.017 8.857 64.458 1.00 0.00 WT1 H ATOM 7992 H2 TIP3 1714 69.037 9.773 65.100 1.00 0.00 WT1 H ATOM 7993 OH2 TIP3 1715 48.340 69.086 -6.679 1.00 0.00 WT1 O ATOM 7994 H1 TIP3 1715 47.668 69.765 -6.614 1.00 0.00 WT1 H ATOM 7995 H2 TIP3 1715 48.822 69.146 -5.854 1.00 0.00 WT1 H ATOM 7996 OH2 TIP3 1716 32.758 4.879 15.671 1.00 0.00 WT1 O ATOM 7997 H1 TIP3 1716 31.806 4.779 15.672 1.00 0.00 WT1 H ATOM 7998 H2 TIP3 1716 33.063 4.278 16.351 1.00 0.00 WT1 H ATOM 7999 OH2 TIP3 1717 90.053 54.929 45.164 1.00 0.00 WT1 O ATOM 8000 H1 TIP3 1717 90.733 55.308 45.720 1.00 0.00 WT1 H ATOM 8001 H2 TIP3 1717 89.750 54.159 45.645 1.00 0.00 WT1 H ATOM 8002 OH2 TIP3 1718 28.856 9.028 58.601 1.00 0.00 WT1 O ATOM 8003 H1 TIP3 1718 29.163 9.923 58.462 1.00 0.00 WT1 H ATOM 8004 H2 TIP3 1718 27.935 9.047 58.341 1.00 0.00 WT1 H ATOM 8005 OH2 TIP3 1719 42.099 54.028 38.152 1.00 0.00 WT1 O ATOM 8006 H1 TIP3 1719 42.162 54.978 38.047 1.00 0.00 WT1 H ATOM 8007 H2 TIP3 1719 41.528 53.744 37.438 1.00 0.00 WT1 H ATOM 8008 OH2 TIP3 1720 61.087 47.659 46.034 1.00 0.00 WT1 O ATOM 8009 H1 TIP3 1720 61.175 48.537 45.664 1.00 0.00 WT1 H ATOM 8010 H2 TIP3 1720 61.725 47.131 45.553 1.00 0.00 WT1 H ATOM 8011 OH2 TIP3 1721 88.350 81.205 0.126 1.00 0.00 WT1 O ATOM 8012 H1 TIP3 1721 87.891 80.858 0.891 1.00 0.00 WT1 H ATOM 8013 H2 TIP3 1721 89.263 80.952 0.258 1.00 0.00 WT1 H ATOM 8014 OH2 TIP3 1722 79.420 70.253 48.122 1.00 0.00 WT1 O ATOM 8015 H1 TIP3 1722 79.983 70.669 48.775 1.00 0.00 WT1 H ATOM 8016 H2 TIP3 1722 80.006 69.675 47.634 1.00 0.00 WT1 H ATOM 8017 OH2 TIP3 1723 36.854 87.258 56.262 1.00 0.00 WT1 O ATOM 8018 H1 TIP3 1723 36.115 87.845 56.422 1.00 0.00 WT1 H ATOM 8019 H2 TIP3 1723 37.012 87.323 55.320 1.00 0.00 WT1 H ATOM 8020 OH2 TIP3 1724 35.147 1.295 33.607 1.00 0.00 WT1 O ATOM 8021 H1 TIP3 1724 35.763 1.447 34.325 1.00 0.00 WT1 H ATOM 8022 H2 TIP3 1724 35.123 0.343 33.510 1.00 0.00 WT1 H ATOM 8023 OH2 TIP3 1725 72.705 4.399 57.419 1.00 0.00 WT1 O ATOM 8024 H1 TIP3 1725 73.045 3.505 57.382 1.00 0.00 WT1 H ATOM 8025 H2 TIP3 1725 73.486 4.952 57.451 1.00 0.00 WT1 H ATOM 8026 OH2 TIP3 1726 33.861 57.071 3.630 1.00 0.00 WT1 O ATOM 8027 H1 TIP3 1726 34.284 56.398 3.097 1.00 0.00 WT1 H ATOM 8028 H2 TIP3 1726 34.462 57.210 4.362 1.00 0.00 WT1 H ATOM 8029 OH2 TIP3 1727 66.682 92.906 49.806 1.00 0.00 WT1 O ATOM 8030 H1 TIP3 1727 67.359 93.392 49.335 1.00 0.00 WT1 H ATOM 8031 H2 TIP3 1727 67.003 92.859 50.707 1.00 0.00 WT1 H ATOM 8032 OH2 TIP3 1728 69.087 89.878 39.014 1.00 0.00 WT1 O ATOM 8033 H1 TIP3 1728 69.702 89.154 38.888 1.00 0.00 WT1 H ATOM 8034 H2 TIP3 1728 68.239 89.521 38.750 1.00 0.00 WT1 H ATOM 8035 OH2 TIP3 1729 40.492 24.495 -18.856 1.00 0.00 WT1 O ATOM 8036 H1 TIP3 1729 39.589 24.205 -18.724 1.00 0.00 WT1 H ATOM 8037 H2 TIP3 1729 40.664 24.330 -19.783 1.00 0.00 WT1 H ATOM 8038 OH2 TIP3 1730 49.810 50.275 0.941 1.00 0.00 WT1 O ATOM 8039 H1 TIP3 1730 50.291 50.940 1.433 1.00 0.00 WT1 H ATOM 8040 H2 TIP3 1730 50.450 49.580 0.788 1.00 0.00 WT1 H ATOM 8041 OH2 TIP3 1731 58.855 83.428 6.744 1.00 0.00 WT1 O ATOM 8042 H1 TIP3 1731 59.248 82.709 7.239 1.00 0.00 WT1 H ATOM 8043 H2 TIP3 1731 58.646 83.046 5.891 1.00 0.00 WT1 H ATOM 8044 OH2 TIP3 1732 65.445 92.440 40.056 1.00 0.00 WT1 O ATOM 8045 H1 TIP3 1732 64.934 92.873 39.372 1.00 0.00 WT1 H ATOM 8046 H2 TIP3 1732 66.346 92.462 39.732 1.00 0.00 WT1 H ATOM 8047 OH2 TIP3 1733 35.904 4.573 39.412 1.00 0.00 WT1 O ATOM 8048 H1 TIP3 1733 36.726 5.056 39.319 1.00 0.00 WT1 H ATOM 8049 H2 TIP3 1733 35.761 4.523 40.357 1.00 0.00 WT1 H ATOM 8050 OH2 TIP3 1734 53.715 84.064 34.131 1.00 0.00 WT1 O ATOM 8051 H1 TIP3 1734 52.933 83.566 33.894 1.00 0.00 WT1 H ATOM 8052 H2 TIP3 1734 53.492 84.972 33.926 1.00 0.00 WT1 H ATOM 8053 OH2 TIP3 1735 79.907 25.067 -6.638 1.00 0.00 WT1 O ATOM 8054 H1 TIP3 1735 80.483 24.477 -7.124 1.00 0.00 WT1 H ATOM 8055 H2 TIP3 1735 79.024 24.755 -6.836 1.00 0.00 WT1 H ATOM 8056 OH2 TIP3 1736 89.660 86.868 44.088 1.00 0.00 WT1 O ATOM 8057 H1 TIP3 1736 89.532 86.936 45.035 1.00 0.00 WT1 H ATOM 8058 H2 TIP3 1736 90.337 87.515 43.890 1.00 0.00 WT1 H ATOM 8059 OH2 TIP3 1737 26.171 49.845 36.930 1.00 0.00 WT1 O ATOM 8060 H1 TIP3 1737 25.432 50.356 37.260 1.00 0.00 WT1 H ATOM 8061 H2 TIP3 1737 26.619 50.436 36.324 1.00 0.00 WT1 H ATOM 8062 OH2 TIP3 1738 69.385 41.968 57.364 1.00 0.00 WT1 O ATOM 8063 H1 TIP3 1738 69.388 42.844 57.750 1.00 0.00 WT1 H ATOM 8064 H2 TIP3 1738 69.315 41.376 58.114 1.00 0.00 WT1 H ATOM 8065 OH2 TIP3 1739 21.032 95.533 10.836 1.00 0.00 WT1 O ATOM 8066 H1 TIP3 1739 20.251 95.631 10.292 1.00 0.00 WT1 H ATOM 8067 H2 TIP3 1739 20.815 95.984 11.652 1.00 0.00 WT1 H ATOM 8068 OH2 TIP3 1741 65.756 17.500 10.768 1.00 0.00 WT1 O ATOM 8069 H1 TIP3 1741 64.964 18.027 10.873 1.00 0.00 WT1 H ATOM 8070 H2 TIP3 1741 65.460 16.597 10.883 1.00 0.00 WT1 H ATOM 8071 OH2 TIP3 1742 29.621 52.628 38.285 1.00 0.00 WT1 O ATOM 8072 H1 TIP3 1742 29.360 51.833 38.750 1.00 0.00 WT1 H ATOM 8073 H2 TIP3 1742 29.821 53.257 38.978 1.00 0.00 WT1 H ATOM 8074 OH2 TIP3 1743 37.828 43.888 30.852 1.00 0.00 WT1 O ATOM 8075 H1 TIP3 1743 38.141 44.731 31.181 1.00 0.00 WT1 H ATOM 8076 H2 TIP3 1743 37.952 43.939 29.904 1.00 0.00 WT1 H ATOM 8077 OH2 TIP3 1744 58.789 77.350 59.221 1.00 0.00 WT1 O ATOM 8078 H1 TIP3 1744 57.938 77.247 59.648 1.00 0.00 WT1 H ATOM 8079 H2 TIP3 1744 59.383 77.602 59.928 1.00 0.00 WT1 H ATOM 8080 OH2 TIP3 1745 85.082 36.968 60.083 1.00 0.00 WT1 O ATOM 8081 H1 TIP3 1745 85.391 37.782 59.683 1.00 0.00 WT1 H ATOM 8082 H2 TIP3 1745 85.200 36.307 59.401 1.00 0.00 WT1 H ATOM 8083 OH2 TIP3 1746 78.354 73.161 44.148 1.00 0.00 WT1 O ATOM 8084 H1 TIP3 1746 78.617 73.410 43.262 1.00 0.00 WT1 H ATOM 8085 H2 TIP3 1746 79.018 72.529 44.426 1.00 0.00 WT1 H ATOM 8086 OH2 TIP3 1747 88.702 57.584 62.307 1.00 0.00 WT1 O ATOM 8087 H1 TIP3 1747 88.257 58.182 62.907 1.00 0.00 WT1 H ATOM 8088 H2 TIP3 1747 88.234 56.755 62.404 1.00 0.00 WT1 H ATOM 8089 OH2 TIP3 1748 60.248 25.674 55.430 1.00 0.00 WT1 O ATOM 8090 H1 TIP3 1748 60.043 26.597 55.577 1.00 0.00 WT1 H ATOM 8091 H2 TIP3 1748 60.588 25.644 54.535 1.00 0.00 WT1 H ATOM 8092 OH2 TIP3 1749 72.546 3.964 -10.178 1.00 0.00 WT1 O ATOM 8093 H1 TIP3 1749 71.947 3.224 -10.079 1.00 0.00 WT1 H ATOM 8094 H2 TIP3 1749 73.418 3.568 -10.178 1.00 0.00 WT1 H ATOM 8095 OH2 TIP3 1750 80.909 39.346 32.321 1.00 0.00 WT1 O ATOM 8096 H1 TIP3 1750 81.723 39.797 32.547 1.00 0.00 WT1 H ATOM 8097 H2 TIP3 1750 80.862 38.612 32.934 1.00 0.00 WT1 H ATOM 8098 OH2 TIP3 1751 88.918 45.647 -19.266 1.00 0.00 WT1 O ATOM 8099 H1 TIP3 1751 88.735 46.539 -19.559 1.00 0.00 WT1 H ATOM 8100 H2 TIP3 1751 88.365 45.529 -18.494 1.00 0.00 WT1 H ATOM 8101 OH2 TIP3 1752 38.322 66.592 -7.949 1.00 0.00 WT1 O ATOM 8102 H1 TIP3 1752 39.230 66.301 -8.033 1.00 0.00 WT1 H ATOM 8103 H2 TIP3 1752 38.290 67.419 -8.430 1.00 0.00 WT1 H ATOM 8104 OH2 TIP3 1753 63.161 59.967 51.149 1.00 0.00 WT1 O ATOM 8105 H1 TIP3 1753 63.621 60.089 50.319 1.00 0.00 WT1 H ATOM 8106 H2 TIP3 1753 62.293 59.650 50.899 1.00 0.00 WT1 H ATOM 8107 OH2 TIP3 1754 66.581 88.171 12.362 1.00 0.00 WT1 O ATOM 8108 H1 TIP3 1754 65.871 87.810 11.832 1.00 0.00 WT1 H ATOM 8109 H2 TIP3 1754 67.327 87.596 12.187 1.00 0.00 WT1 H ATOM 8110 OH2 TIP3 1755 20.301 94.984 37.592 1.00 0.00 WT1 O ATOM 8111 H1 TIP3 1755 20.732 94.214 37.220 1.00 0.00 WT1 H ATOM 8112 H2 TIP3 1755 20.271 95.613 36.871 1.00 0.00 WT1 H ATOM 8113 OH2 TIP3 1756 67.087 83.850 -7.662 1.00 0.00 WT1 O ATOM 8114 H1 TIP3 1756 67.127 83.476 -6.782 1.00 0.00 WT1 H ATOM 8115 H2 TIP3 1756 66.722 83.150 -8.203 1.00 0.00 WT1 H ATOM 8116 OH2 TIP3 1757 84.253 43.348 -10.467 1.00 0.00 WT1 O ATOM 8117 H1 TIP3 1757 83.955 42.671 -9.860 1.00 0.00 WT1 H ATOM 8118 H2 TIP3 1757 84.123 44.170 -9.992 1.00 0.00 WT1 H ATOM 8119 OH2 TIP3 1758 87.686 26.555 -1.302 1.00 0.00 WT1 O ATOM 8120 H1 TIP3 1758 87.610 27.451 -0.974 1.00 0.00 WT1 H ATOM 8121 H2 TIP3 1758 88.464 26.205 -0.868 1.00 0.00 WT1 H ATOM 8122 OH2 TIP3 1759 82.266 75.189 39.517 1.00 0.00 WT1 O ATOM 8123 H1 TIP3 1759 83.137 75.085 39.901 1.00 0.00 WT1 H ATOM 8124 H2 TIP3 1759 81.956 74.294 39.380 1.00 0.00 WT1 H ATOM 8125 OH2 TIP3 1760 53.234 9.199 23.342 1.00 0.00 WT1 O ATOM 8126 H1 TIP3 1760 52.347 9.398 23.043 1.00 0.00 WT1 H ATOM 8127 H2 TIP3 1760 53.295 9.613 24.203 1.00 0.00 WT1 H ATOM 8128 OH2 TIP3 1761 74.346 28.830 60.174 1.00 0.00 WT1 O ATOM 8129 H1 TIP3 1761 74.536 27.917 60.390 1.00 0.00 WT1 H ATOM 8130 H2 TIP3 1761 75.058 29.092 59.590 1.00 0.00 WT1 H ATOM 8131 OH2 TIP3 1762 29.944 25.272 0.397 1.00 0.00 WT1 O ATOM 8132 H1 TIP3 1762 29.752 24.666 -0.318 1.00 0.00 WT1 H ATOM 8133 H2 TIP3 1762 30.086 26.115 -0.033 1.00 0.00 WT1 H ATOM 8134 OH2 TIP3 1763 73.825 91.207 64.343 1.00 0.00 WT1 O ATOM 8135 H1 TIP3 1763 74.032 91.986 64.860 1.00 0.00 WT1 H ATOM 8136 H2 TIP3 1763 74.420 91.251 63.595 1.00 0.00 WT1 H ATOM 8137 OH2 TIP3 1764 32.718 17.576 3.071 1.00 0.00 WT1 O ATOM 8138 H1 TIP3 1764 33.579 17.965 2.916 1.00 0.00 WT1 H ATOM 8139 H2 TIP3 1764 32.906 16.715 3.445 1.00 0.00 WT1 H ATOM 8140 OH2 TIP3 1765 78.178 6.660 43.165 1.00 0.00 WT1 O ATOM 8141 H1 TIP3 1765 78.841 6.042 42.856 1.00 0.00 WT1 H ATOM 8142 H2 TIP3 1765 78.094 7.296 42.454 1.00 0.00 WT1 H ATOM 8143 OH2 TIP3 1766 68.824 5.844 14.426 1.00 0.00 WT1 O ATOM 8144 H1 TIP3 1766 69.027 5.290 13.672 1.00 0.00 WT1 H ATOM 8145 H2 TIP3 1766 69.464 5.590 15.090 1.00 0.00 WT1 H ATOM 8146 OH2 TIP3 1767 37.775 73.916 -16.389 1.00 0.00 WT1 O ATOM 8147 H1 TIP3 1767 38.379 74.570 -16.742 1.00 0.00 WT1 H ATOM 8148 H2 TIP3 1767 37.045 73.905 -17.007 1.00 0.00 WT1 H ATOM 8149 OH2 TIP3 1768 89.645 12.169 -11.212 1.00 0.00 WT1 O ATOM 8150 H1 TIP3 1768 90.174 12.925 -10.959 1.00 0.00 WT1 H ATOM 8151 H2 TIP3 1768 90.272 11.554 -11.593 1.00 0.00 WT1 H ATOM 8152 OH2 TIP3 1769 39.127 56.440 34.416 1.00 0.00 WT1 O ATOM 8153 H1 TIP3 1769 39.040 55.948 33.600 1.00 0.00 WT1 H ATOM 8154 H2 TIP3 1769 40.071 56.509 34.555 1.00 0.00 WT1 H ATOM 8155 OH2 TIP3 1770 83.016 59.041 -13.695 1.00 0.00 WT1 O ATOM 8156 H1 TIP3 1770 82.139 58.711 -13.890 1.00 0.00 WT1 H ATOM 8157 H2 TIP3 1770 83.034 59.121 -12.741 1.00 0.00 WT1 H ATOM 8158 OH2 TIP3 1771 41.975 94.990 34.305 1.00 0.00 WT1 O ATOM 8159 H1 TIP3 1771 41.462 95.783 34.148 1.00 0.00 WT1 H ATOM 8160 H2 TIP3 1771 42.841 95.311 34.558 1.00 0.00 WT1 H ATOM 8161 OH2 TIP3 1772 56.467 78.359 45.526 1.00 0.00 WT1 O ATOM 8162 H1 TIP3 1772 55.764 77.783 45.827 1.00 0.00 WT1 H ATOM 8163 H2 TIP3 1772 56.982 77.817 44.928 1.00 0.00 WT1 H ATOM 8164 OH2 TIP3 1773 52.211 49.900 48.458 1.00 0.00 WT1 O ATOM 8165 H1 TIP3 1773 51.994 50.830 48.400 1.00 0.00 WT1 H ATOM 8166 H2 TIP3 1773 53.096 49.837 48.100 1.00 0.00 WT1 H ATOM 8167 OH2 TIP3 1774 56.110 46.475 -5.015 1.00 0.00 WT1 O ATOM 8168 H1 TIP3 1774 55.165 46.322 -5.032 1.00 0.00 WT1 H ATOM 8169 H2 TIP3 1774 56.229 47.176 -4.374 1.00 0.00 WT1 H ATOM 8170 OH2 TIP3 1775 47.672 62.862 54.374 1.00 0.00 WT1 O ATOM 8171 H1 TIP3 1775 47.435 61.984 54.076 1.00 0.00 WT1 H ATOM 8172 H2 TIP3 1775 47.296 63.449 53.718 1.00 0.00 WT1 H ATOM 8173 OH2 TIP3 1776 87.407 87.814 1.412 1.00 0.00 WT1 O ATOM 8174 H1 TIP3 1776 87.567 87.556 0.504 1.00 0.00 WT1 H ATOM 8175 H2 TIP3 1776 87.693 87.061 1.929 1.00 0.00 WT1 H ATOM 8176 OH2 TIP3 1777 30.266 51.640 32.936 1.00 0.00 WT1 O ATOM 8177 H1 TIP3 1777 30.592 52.348 32.380 1.00 0.00 WT1 H ATOM 8178 H2 TIP3 1777 30.023 52.071 33.755 1.00 0.00 WT1 H ATOM 8179 OH2 TIP3 1778 27.905 19.468 17.072 1.00 0.00 WT1 O ATOM 8180 H1 TIP3 1778 28.531 20.099 17.428 1.00 0.00 WT1 H ATOM 8181 H2 TIP3 1778 28.417 18.943 16.457 1.00 0.00 WT1 H ATOM 8182 OH2 TIP3 1779 68.524 36.319 61.968 1.00 0.00 WT1 O ATOM 8183 H1 TIP3 1779 69.323 36.138 62.464 1.00 0.00 WT1 H ATOM 8184 H2 TIP3 1779 68.767 36.161 61.056 1.00 0.00 WT1 H ATOM 8185 OH2 TIP3 1781 60.106 19.817 -2.519 1.00 0.00 WT1 O ATOM 8186 H1 TIP3 1781 60.740 19.980 -3.217 1.00 0.00 WT1 H ATOM 8187 H2 TIP3 1781 60.476 19.087 -2.023 1.00 0.00 WT1 H ATOM 8188 OH2 TIP3 1782 58.851 79.410 65.892 1.00 0.00 WT1 O ATOM 8189 H1 TIP3 1782 58.277 79.053 66.570 1.00 0.00 WT1 H ATOM 8190 H2 TIP3 1782 59.182 78.642 65.427 1.00 0.00 WT1 H ATOM 8191 OH2 TIP3 1783 59.005 72.307 57.685 1.00 0.00 WT1 O ATOM 8192 H1 TIP3 1783 58.470 71.514 57.711 1.00 0.00 WT1 H ATOM 8193 H2 TIP3 1783 59.448 72.325 58.533 1.00 0.00 WT1 H ATOM 8194 OH2 TIP3 1784 50.954 30.809 -8.928 1.00 0.00 WT1 O ATOM 8195 H1 TIP3 1784 50.069 31.042 -8.648 1.00 0.00 WT1 H ATOM 8196 H2 TIP3 1784 51.528 31.345 -8.381 1.00 0.00 WT1 H ATOM 8197 OH2 TIP3 1785 56.913 30.797 40.933 1.00 0.00 WT1 O ATOM 8198 H1 TIP3 1785 56.340 31.456 40.543 1.00 0.00 WT1 H ATOM 8199 H2 TIP3 1785 56.322 30.222 41.419 1.00 0.00 WT1 H ATOM 8200 OH2 TIP3 1786 34.712 91.636 38.604 1.00 0.00 WT1 O ATOM 8201 H1 TIP3 1786 34.030 92.097 39.092 1.00 0.00 WT1 H ATOM 8202 H2 TIP3 1786 34.997 90.937 39.192 1.00 0.00 WT1 H ATOM 8203 OH2 TIP3 1787 42.039 55.112 19.074 1.00 0.00 WT1 O ATOM 8204 H1 TIP3 1787 41.104 54.985 18.915 1.00 0.00 WT1 H ATOM 8205 H2 TIP3 1787 42.179 56.050 18.946 1.00 0.00 WT1 H ATOM 8206 OH2 TIP3 1788 41.600 32.079 34.466 1.00 0.00 WT1 O ATOM 8207 H1 TIP3 1788 41.821 31.147 34.452 1.00 0.00 WT1 H ATOM 8208 H2 TIP3 1788 42.435 32.520 34.623 1.00 0.00 WT1 H ATOM 8209 OH2 TIP3 1789 63.346 5.541 55.712 1.00 0.00 WT1 O ATOM 8210 H1 TIP3 1789 62.851 6.015 56.381 1.00 0.00 WT1 H ATOM 8211 H2 TIP3 1789 63.567 4.706 56.125 1.00 0.00 WT1 H ATOM 8212 OH2 TIP3 1790 72.101 14.089 -7.002 1.00 0.00 WT1 O ATOM 8213 H1 TIP3 1790 72.063 14.228 -6.056 1.00 0.00 WT1 H ATOM 8214 H2 TIP3 1790 71.234 14.345 -7.317 1.00 0.00 WT1 H ATOM 8215 OH2 TIP3 1791 73.325 47.794 -5.109 1.00 0.00 WT1 O ATOM 8216 H1 TIP3 1791 73.849 47.162 -4.617 1.00 0.00 WT1 H ATOM 8217 H2 TIP3 1791 72.584 47.990 -4.535 1.00 0.00 WT1 H ATOM 8218 OH2 TIP3 1792 53.661 80.427 -1.614 1.00 0.00 WT1 O ATOM 8219 H1 TIP3 1792 54.357 80.613 -2.244 1.00 0.00 WT1 H ATOM 8220 H2 TIP3 1792 53.057 79.853 -2.085 1.00 0.00 WT1 H ATOM 8221 OH2 TIP3 1793 47.040 47.525 -4.982 1.00 0.00 WT1 O ATOM 8222 H1 TIP3 1793 46.125 47.336 -4.778 1.00 0.00 WT1 H ATOM 8223 H2 TIP3 1793 47.407 47.850 -4.160 1.00 0.00 WT1 H ATOM 8224 OH2 TIP3 1794 57.685 69.130 57.006 1.00 0.00 WT1 O ATOM 8225 H1 TIP3 1794 56.983 68.480 56.982 1.00 0.00 WT1 H ATOM 8226 H2 TIP3 1794 58.122 68.981 57.845 1.00 0.00 WT1 H ATOM 8227 OH2 TIP3 1795 30.642 24.653 62.049 1.00 0.00 WT1 O ATOM 8228 H1 TIP3 1795 30.986 25.079 62.834 1.00 0.00 WT1 H ATOM 8229 H2 TIP3 1795 30.526 23.738 62.304 1.00 0.00 WT1 H ATOM 8230 OH2 TIP3 1796 29.548 32.621 7.131 1.00 0.00 WT1 O ATOM 8231 H1 TIP3 1796 28.740 33.133 7.114 1.00 0.00 WT1 H ATOM 8232 H2 TIP3 1796 29.416 31.941 6.470 1.00 0.00 WT1 H ATOM 8233 OH2 TIP3 1797 47.596 17.205 19.459 1.00 0.00 WT1 O ATOM 8234 H1 TIP3 1797 47.396 17.164 18.524 1.00 0.00 WT1 H ATOM 8235 H2 TIP3 1797 47.257 18.055 19.740 1.00 0.00 WT1 H ATOM 8236 OH2 TIP3 1798 31.942 16.071 -0.426 1.00 0.00 WT1 O ATOM 8237 H1 TIP3 1798 31.815 17.020 -0.412 1.00 0.00 WT1 H ATOM 8238 H2 TIP3 1798 31.653 15.803 -1.298 1.00 0.00 WT1 H ATOM 8239 OH2 TIP3 1799 42.264 24.239 34.078 1.00 0.00 WT1 O ATOM 8240 H1 TIP3 1799 42.783 24.575 34.809 1.00 0.00 WT1 H ATOM 8241 H2 TIP3 1799 42.911 23.897 33.461 1.00 0.00 WT1 H ATOM 8242 OH2 TIP3 1800 88.615 94.514 65.943 1.00 0.00 WT1 O ATOM 8243 H1 TIP3 1800 89.373 94.055 66.305 1.00 0.00 WT1 H ATOM 8244 H2 TIP3 1800 88.990 95.200 65.391 1.00 0.00 WT1 H ATOM 8245 OH2 TIP3 1801 22.985 67.706 21.387 1.00 0.00 WT1 O ATOM 8246 H1 TIP3 1801 22.691 66.981 20.837 1.00 0.00 WT1 H ATOM 8247 H2 TIP3 1801 22.820 67.411 22.283 1.00 0.00 WT1 H ATOM 8248 OH2 TIP3 1802 74.140 73.743 16.161 1.00 0.00 WT1 O ATOM 8249 H1 TIP3 1802 73.687 74.206 15.457 1.00 0.00 WT1 H ATOM 8250 H2 TIP3 1802 73.830 74.165 16.963 1.00 0.00 WT1 H ATOM 8251 OH2 TIP3 1803 86.784 73.069 21.345 1.00 0.00 WT1 O ATOM 8252 H1 TIP3 1803 86.373 72.568 20.640 1.00 0.00 WT1 H ATOM 8253 H2 TIP3 1803 86.792 73.971 21.024 1.00 0.00 WT1 H ATOM 8254 OH2 TIP3 1804 64.142 34.163 40.217 1.00 0.00 WT1 O ATOM 8255 H1 TIP3 1804 64.402 33.318 39.850 1.00 0.00 WT1 H ATOM 8256 H2 TIP3 1804 64.536 34.810 39.632 1.00 0.00 WT1 H ATOM 8257 OH2 TIP3 1805 42.446 17.354 41.126 1.00 0.00 WT1 O ATOM 8258 H1 TIP3 1805 42.273 17.340 40.185 1.00 0.00 WT1 H ATOM 8259 H2 TIP3 1805 43.235 16.823 41.233 1.00 0.00 WT1 H ATOM 8260 OH2 TIP3 1807 65.588 67.933 59.720 1.00 0.00 WT1 O ATOM 8261 H1 TIP3 1807 64.658 67.714 59.784 1.00 0.00 WT1 H ATOM 8262 H2 TIP3 1807 65.763 67.962 58.779 1.00 0.00 WT1 H ATOM 8263 OH2 TIP3 1808 87.137 12.644 54.059 1.00 0.00 WT1 O ATOM 8264 H1 TIP3 1808 86.602 13.342 54.438 1.00 0.00 WT1 H ATOM 8265 H2 TIP3 1808 87.564 12.234 54.811 1.00 0.00 WT1 H ATOM 8266 OH2 TIP3 1809 83.311 38.532 -8.827 1.00 0.00 WT1 O ATOM 8267 H1 TIP3 1809 84.067 39.109 -8.936 1.00 0.00 WT1 H ATOM 8268 H2 TIP3 1809 83.689 37.662 -8.697 1.00 0.00 WT1 H ATOM 8269 OH2 TIP3 1810 76.291 33.084 -2.389 1.00 0.00 WT1 O ATOM 8270 H1 TIP3 1810 76.766 32.766 -3.157 1.00 0.00 WT1 H ATOM 8271 H2 TIP3 1810 75.925 32.295 -1.989 1.00 0.00 WT1 H ATOM 8272 OH2 TIP3 1811 34.755 7.593 -16.742 1.00 0.00 WT1 O ATOM 8273 H1 TIP3 1811 33.822 7.378 -16.747 1.00 0.00 WT1 H ATOM 8274 H2 TIP3 1811 34.876 8.120 -15.952 1.00 0.00 WT1 H ATOM 8275 OH2 TIP3 1812 48.148 77.089 -15.598 1.00 0.00 WT1 O ATOM 8276 H1 TIP3 1812 47.275 77.481 -15.577 1.00 0.00 WT1 H ATOM 8277 H2 TIP3 1812 48.150 76.549 -16.388 1.00 0.00 WT1 H ATOM 8278 OH2 TIP3 1813 53.710 19.030 -1.276 1.00 0.00 WT1 O ATOM 8279 H1 TIP3 1813 53.792 19.964 -1.472 1.00 0.00 WT1 H ATOM 8280 H2 TIP3 1813 53.455 19.000 -0.353 1.00 0.00 WT1 H ATOM 8281 OH2 TIP3 1814 87.098 37.472 32.499 1.00 0.00 WT1 O ATOM 8282 H1 TIP3 1814 86.141 37.475 32.480 1.00 0.00 WT1 H ATOM 8283 H2 TIP3 1814 87.336 36.545 32.508 1.00 0.00 WT1 H ATOM 8284 OH2 TIP3 1815 31.816 58.968 38.453 1.00 0.00 WT1 O ATOM 8285 H1 TIP3 1815 31.464 59.718 38.934 1.00 0.00 WT1 H ATOM 8286 H2 TIP3 1815 32.617 59.299 38.046 1.00 0.00 WT1 H ATOM 8287 OH2 TIP3 1816 53.528 82.595 57.129 1.00 0.00 WT1 O ATOM 8288 H1 TIP3 1816 53.486 83.442 57.574 1.00 0.00 WT1 H ATOM 8289 H2 TIP3 1816 53.886 81.997 57.785 1.00 0.00 WT1 H ATOM 8290 OH2 TIP3 1817 82.226 82.229 18.062 1.00 0.00 WT1 O ATOM 8291 H1 TIP3 1817 82.056 81.670 17.304 1.00 0.00 WT1 H ATOM 8292 H2 TIP3 1817 82.536 81.628 18.739 1.00 0.00 WT1 H ATOM 8293 OH2 TIP3 1818 90.092 21.864 -14.346 1.00 0.00 WT1 O ATOM 8294 H1 TIP3 1818 90.250 22.094 -13.430 1.00 0.00 WT1 H ATOM 8295 H2 TIP3 1818 89.910 22.699 -14.775 1.00 0.00 WT1 H ATOM 8296 OH2 TIP3 1819 47.018 26.547 -2.332 1.00 0.00 WT1 O ATOM 8297 H1 TIP3 1819 46.384 25.839 -2.218 1.00 0.00 WT1 H ATOM 8298 H2 TIP3 1819 47.590 26.484 -1.567 1.00 0.00 WT1 H ATOM 8299 OH2 TIP3 1820 70.739 89.715 50.225 1.00 0.00 WT1 O ATOM 8300 H1 TIP3 1820 71.177 89.693 51.076 1.00 0.00 WT1 H ATOM 8301 H2 TIP3 1820 70.731 88.803 49.936 1.00 0.00 WT1 H ATOM 8302 OH2 TIP3 1821 44.884 2.317 62.058 1.00 0.00 WT1 O ATOM 8303 H1 TIP3 1821 44.188 2.323 61.401 1.00 0.00 WT1 H ATOM 8304 H2 TIP3 1821 44.437 2.120 62.881 1.00 0.00 WT1 H ATOM 8305 OH2 TIP3 1823 81.850 93.840 -3.113 1.00 0.00 WT1 O ATOM 8306 H1 TIP3 1823 81.168 94.484 -2.922 1.00 0.00 WT1 H ATOM 8307 H2 TIP3 1823 81.452 93.251 -3.753 1.00 0.00 WT1 H ATOM 8308 OH2 TIP3 1824 74.982 12.049 46.722 1.00 0.00 WT1 O ATOM 8309 H1 TIP3 1824 74.767 12.218 47.640 1.00 0.00 WT1 H ATOM 8310 H2 TIP3 1824 74.397 12.625 46.229 1.00 0.00 WT1 H ATOM 8311 OH2 TIP3 1825 35.968 17.219 25.910 1.00 0.00 WT1 O ATOM 8312 H1 TIP3 1825 35.388 17.980 25.875 1.00 0.00 WT1 H ATOM 8313 H2 TIP3 1825 36.802 17.567 26.224 1.00 0.00 WT1 H ATOM 8314 OH2 TIP3 1826 55.323 72.209 -0.922 1.00 0.00 WT1 O ATOM 8315 H1 TIP3 1826 56.206 71.844 -0.967 1.00 0.00 WT1 H ATOM 8316 H2 TIP3 1826 54.974 71.891 -0.089 1.00 0.00 WT1 H ATOM 8317 OH2 TIP3 1827 60.238 1.315 -17.682 1.00 0.00 WT1 O ATOM 8318 H1 TIP3 1827 61.189 1.409 -17.747 1.00 0.00 WT1 H ATOM 8319 H2 TIP3 1827 60.046 1.454 -16.755 1.00 0.00 WT1 H ATOM 8320 OH2 TIP3 1828 62.612 35.988 46.115 1.00 0.00 WT1 O ATOM 8321 H1 TIP3 1828 62.569 35.183 46.631 1.00 0.00 WT1 H ATOM 8322 H2 TIP3 1828 61.717 36.122 45.805 1.00 0.00 WT1 H ATOM 8323 OH2 TIP3 1829 25.660 67.357 32.059 1.00 0.00 WT1 O ATOM 8324 H1 TIP3 1829 25.853 68.140 31.544 1.00 0.00 WT1 H ATOM 8325 H2 TIP3 1829 26.511 67.075 32.394 1.00 0.00 WT1 H ATOM 8326 OH2 TIP3 1830 84.005 21.346 61.974 1.00 0.00 WT1 O ATOM 8327 H1 TIP3 1830 84.144 20.452 61.662 1.00 0.00 WT1 H ATOM 8328 H2 TIP3 1830 84.865 21.628 62.287 1.00 0.00 WT1 H ATOM 8329 OH2 TIP3 1831 66.991 63.098 63.906 1.00 0.00 WT1 O ATOM 8330 H1 TIP3 1831 67.901 62.987 64.181 1.00 0.00 WT1 H ATOM 8331 H2 TIP3 1831 66.672 63.837 64.425 1.00 0.00 WT1 H ATOM 8332 OH2 TIP3 1832 61.572 93.959 62.399 1.00 0.00 WT1 O ATOM 8333 H1 TIP3 1832 61.398 94.543 61.660 1.00 0.00 WT1 H ATOM 8334 H2 TIP3 1832 62.063 93.231 62.019 1.00 0.00 WT1 H ATOM 8335 OH2 TIP3 1833 30.631 65.803 32.693 1.00 0.00 WT1 O ATOM 8336 H1 TIP3 1833 30.766 66.678 32.328 1.00 0.00 WT1 H ATOM 8337 H2 TIP3 1833 31.455 65.345 32.529 1.00 0.00 WT1 H ATOM 8338 OH2 TIP3 1834 43.493 37.320 18.427 1.00 0.00 WT1 O ATOM 8339 H1 TIP3 1834 44.162 37.770 17.910 1.00 0.00 WT1 H ATOM 8340 H2 TIP3 1834 43.321 36.511 17.944 1.00 0.00 WT1 H ATOM 8341 OH2 TIP3 1835 68.073 17.165 63.224 1.00 0.00 WT1 O ATOM 8342 H1 TIP3 1835 67.243 16.711 63.081 1.00 0.00 WT1 H ATOM 8343 H2 TIP3 1835 68.445 16.748 64.001 1.00 0.00 WT1 H ATOM 8344 OH2 TIP3 1836 89.130 2.118 -0.837 1.00 0.00 WT1 O ATOM 8345 H1 TIP3 1836 88.358 2.493 -0.413 1.00 0.00 WT1 H ATOM 8346 H2 TIP3 1836 89.556 1.605 -0.151 1.00 0.00 WT1 H ATOM 8347 OH2 TIP3 1837 31.269 23.040 40.818 1.00 0.00 WT1 O ATOM 8348 H1 TIP3 1837 31.059 22.535 40.033 1.00 0.00 WT1 H ATOM 8349 H2 TIP3 1837 32.060 22.627 41.165 1.00 0.00 WT1 H ATOM 8350 OH2 TIP3 1838 44.208 27.588 62.610 1.00 0.00 WT1 O ATOM 8351 H1 TIP3 1838 43.748 28.422 62.520 1.00 0.00 WT1 H ATOM 8352 H2 TIP3 1838 44.170 27.198 61.736 1.00 0.00 WT1 H ATOM 8353 OH2 TIP3 1839 20.149 2.207 -7.630 1.00 0.00 WT1 O ATOM 8354 H1 TIP3 1839 20.921 1.711 -7.904 1.00 0.00 WT1 H ATOM 8355 H2 TIP3 1839 19.823 2.608 -8.435 1.00 0.00 WT1 H ATOM 8356 OH2 TIP3 1841 51.109 92.908 33.514 1.00 0.00 WT1 O ATOM 8357 H1 TIP3 1841 50.664 92.404 32.833 1.00 0.00 WT1 H ATOM 8358 H2 TIP3 1841 51.994 93.040 33.175 1.00 0.00 WT1 H ATOM 8359 OH2 TIP3 1842 20.449 96.015 17.246 1.00 0.00 WT1 O ATOM 8360 H1 TIP3 1842 19.547 96.080 16.931 1.00 0.00 WT1 H ATOM 8361 H2 TIP3 1842 20.920 95.581 16.536 1.00 0.00 WT1 H ATOM 8362 OH2 TIP3 1843 37.578 51.256 52.555 1.00 0.00 WT1 O ATOM 8363 H1 TIP3 1843 37.348 52.170 52.388 1.00 0.00 WT1 H ATOM 8364 H2 TIP3 1843 36.956 50.752 52.031 1.00 0.00 WT1 H ATOM 8365 OH2 TIP3 1844 40.469 29.311 50.519 1.00 0.00 WT1 O ATOM 8366 H1 TIP3 1844 41.195 29.638 51.051 1.00 0.00 WT1 H ATOM 8367 H2 TIP3 1844 40.867 29.093 49.677 1.00 0.00 WT1 H ATOM 8368 OH2 TIP3 1845 84.843 68.282 15.019 1.00 0.00 WT1 O ATOM 8369 H1 TIP3 1845 84.967 69.025 15.610 1.00 0.00 WT1 H ATOM 8370 H2 TIP3 1845 85.562 68.354 14.391 1.00 0.00 WT1 H ATOM 8371 OH2 TIP3 1846 80.607 27.685 46.838 1.00 0.00 WT1 O ATOM 8372 H1 TIP3 1846 80.021 26.948 46.667 1.00 0.00 WT1 H ATOM 8373 H2 TIP3 1846 81.060 27.830 46.008 1.00 0.00 WT1 H ATOM 8374 OH2 TIP3 1847 55.379 20.412 31.246 1.00 0.00 WT1 O ATOM 8375 H1 TIP3 1847 56.152 19.970 30.895 1.00 0.00 WT1 H ATOM 8376 H2 TIP3 1847 54.763 20.438 30.513 1.00 0.00 WT1 H ATOM 8377 OH2 TIP3 1848 75.879 73.301 13.028 1.00 0.00 WT1 O ATOM 8378 H1 TIP3 1848 75.087 72.935 12.633 1.00 0.00 WT1 H ATOM 8379 H2 TIP3 1848 76.408 72.538 13.257 1.00 0.00 WT1 H ATOM 8380 OH2 TIP3 1850 32.532 85.841 32.825 1.00 0.00 WT1 O ATOM 8381 H1 TIP3 1850 32.146 86.617 33.232 1.00 0.00 WT1 H ATOM 8382 H2 TIP3 1850 32.005 85.112 33.153 1.00 0.00 WT1 H ATOM 8383 OH2 TIP3 1851 38.093 0.464 52.503 1.00 0.00 WT1 O ATOM 8384 H1 TIP3 1851 38.500 1.136 51.956 1.00 0.00 WT1 H ATOM 8385 H2 TIP3 1851 37.441 0.938 53.019 1.00 0.00 WT1 H ATOM 8386 OH2 TIP3 1852 41.673 40.882 1.672 1.00 0.00 WT1 O ATOM 8387 H1 TIP3 1852 41.970 39.982 1.806 1.00 0.00 WT1 H ATOM 8388 H2 TIP3 1852 40.905 40.968 2.236 1.00 0.00 WT1 H ATOM 8389 OH2 TIP3 1853 60.908 31.654 -2.827 1.00 0.00 WT1 O ATOM 8390 H1 TIP3 1853 60.701 31.887 -3.732 1.00 0.00 WT1 H ATOM 8391 H2 TIP3 1853 61.210 32.471 -2.432 1.00 0.00 WT1 H ATOM 8392 OH2 TIP3 1854 76.619 56.342 -5.988 1.00 0.00 WT1 O ATOM 8393 H1 TIP3 1854 77.062 55.493 -5.983 1.00 0.00 WT1 H ATOM 8394 H2 TIP3 1854 76.991 56.802 -6.740 1.00 0.00 WT1 H ATOM 8395 OH2 TIP3 1855 43.781 64.180 -4.701 1.00 0.00 WT1 O ATOM 8396 H1 TIP3 1855 42.912 63.958 -5.035 1.00 0.00 WT1 H ATOM 8397 H2 TIP3 1855 43.650 64.317 -3.763 1.00 0.00 WT1 H ATOM 8398 OH2 TIP3 1856 27.453 51.427 32.385 1.00 0.00 WT1 O ATOM 8399 H1 TIP3 1856 27.140 51.519 31.485 1.00 0.00 WT1 H ATOM 8400 H2 TIP3 1856 28.350 51.760 32.362 1.00 0.00 WT1 H ATOM 8401 OH2 TIP3 1858 60.001 90.506 62.675 1.00 0.00 WT1 O ATOM 8402 H1 TIP3 1858 60.649 90.485 61.970 1.00 0.00 WT1 H ATOM 8403 H2 TIP3 1858 60.410 90.019 63.391 1.00 0.00 WT1 H ATOM 8404 OH2 TIP3 1859 58.771 0.520 52.381 1.00 0.00 WT1 O ATOM 8405 H1 TIP3 1859 59.131 1.338 52.039 1.00 0.00 WT1 H ATOM 8406 H2 TIP3 1859 59.026 -0.141 51.737 1.00 0.00 WT1 H ATOM 8407 OH2 TIP3 1860 40.912 52.649 2.704 1.00 0.00 WT1 O ATOM 8408 H1 TIP3 1860 41.168 53.472 2.286 1.00 0.00 WT1 H ATOM 8409 H2 TIP3 1860 40.869 52.857 3.637 1.00 0.00 WT1 H ATOM 8410 OH2 TIP3 1861 20.760 48.604 4.291 1.00 0.00 WT1 O ATOM 8411 H1 TIP3 1861 21.276 49.312 4.678 1.00 0.00 WT1 H ATOM 8412 H2 TIP3 1861 20.311 49.012 3.551 1.00 0.00 WT1 H ATOM 8413 OH2 TIP3 1862 86.332 65.595 -16.880 1.00 0.00 WT1 O ATOM 8414 H1 TIP3 1862 86.118 65.898 -15.998 1.00 0.00 WT1 H ATOM 8415 H2 TIP3 1862 87.110 65.049 -16.765 1.00 0.00 WT1 H ATOM 8416 OH2 TIP3 1863 54.360 2.554 62.166 1.00 0.00 WT1 O ATOM 8417 H1 TIP3 1863 55.216 2.129 62.200 1.00 0.00 WT1 H ATOM 8418 H2 TIP3 1863 53.996 2.293 61.319 1.00 0.00 WT1 H ATOM 8419 OH2 TIP3 1864 65.745 19.368 56.653 1.00 0.00 WT1 O ATOM 8420 H1 TIP3 1864 65.406 19.090 57.504 1.00 0.00 WT1 H ATOM 8421 H2 TIP3 1864 66.519 19.890 56.861 1.00 0.00 WT1 H ATOM 8422 OH2 TIP3 1866 38.376 32.810 24.297 1.00 0.00 WT1 O ATOM 8423 H1 TIP3 1866 37.601 33.371 24.309 1.00 0.00 WT1 H ATOM 8424 H2 TIP3 1866 39.046 33.335 23.860 1.00 0.00 WT1 H ATOM 8425 OH2 TIP3 1867 27.737 78.050 48.375 1.00 0.00 WT1 O ATOM 8426 H1 TIP3 1867 28.002 77.370 48.995 1.00 0.00 WT1 H ATOM 8427 H2 TIP3 1867 26.803 78.177 48.542 1.00 0.00 WT1 H ATOM 8428 OH2 TIP3 1868 76.775 7.346 61.994 1.00 0.00 WT1 O ATOM 8429 H1 TIP3 1868 76.163 7.109 61.297 1.00 0.00 WT1 H ATOM 8430 H2 TIP3 1868 76.261 7.892 62.589 1.00 0.00 WT1 H ATOM 8431 OH2 TIP3 1869 27.652 57.647 9.978 1.00 0.00 WT1 O ATOM 8432 H1 TIP3 1869 27.082 58.416 9.981 1.00 0.00 WT1 H ATOM 8433 H2 TIP3 1869 28.343 57.862 9.352 1.00 0.00 WT1 H ATOM 8434 OH2 TIP3 1870 57.858 94.882 -13.919 1.00 0.00 WT1 O ATOM 8435 H1 TIP3 1870 56.977 94.875 -14.293 1.00 0.00 WT1 H ATOM 8436 H2 TIP3 1870 58.375 94.339 -14.515 1.00 0.00 WT1 H ATOM 8437 OH2 TIP3 1871 50.907 92.761 29.894 1.00 0.00 WT1 O ATOM 8438 H1 TIP3 1871 51.556 93.203 29.346 1.00 0.00 WT1 H ATOM 8439 H2 TIP3 1871 50.100 93.257 29.756 1.00 0.00 WT1 H ATOM 8440 OH2 TIP3 1872 82.003 82.147 48.421 1.00 0.00 WT1 O ATOM 8441 H1 TIP3 1872 81.179 82.267 47.949 1.00 0.00 WT1 H ATOM 8442 H2 TIP3 1872 82.250 83.028 48.701 1.00 0.00 WT1 H ATOM 8443 OH2 TIP3 1873 86.164 76.721 -17.594 1.00 0.00 WT1 O ATOM 8444 H1 TIP3 1873 86.357 76.071 -18.271 1.00 0.00 WT1 H ATOM 8445 H2 TIP3 1873 86.253 76.242 -16.770 1.00 0.00 WT1 H ATOM 8446 OH2 TIP3 1874 44.905 85.808 -14.048 1.00 0.00 WT1 O ATOM 8447 H1 TIP3 1874 44.109 85.805 -13.517 1.00 0.00 WT1 H ATOM 8448 H2 TIP3 1874 45.068 84.884 -14.241 1.00 0.00 WT1 H ATOM 8449 OH2 TIP3 1875 84.044 0.816 52.784 1.00 0.00 WT1 O ATOM 8450 H1 TIP3 1875 84.739 1.396 53.094 1.00 0.00 WT1 H ATOM 8451 H2 TIP3 1875 83.360 1.407 52.469 1.00 0.00 WT1 H ATOM 8452 OH2 TIP3 1876 43.525 84.273 8.591 1.00 0.00 WT1 O ATOM 8453 H1 TIP3 1876 44.406 84.069 8.276 1.00 0.00 WT1 H ATOM 8454 H2 TIP3 1876 43.337 83.592 9.236 1.00 0.00 WT1 H ATOM 8455 OH2 TIP3 1877 40.654 27.765 28.594 1.00 0.00 WT1 O ATOM 8456 H1 TIP3 1877 40.872 28.690 28.478 1.00 0.00 WT1 H ATOM 8457 H2 TIP3 1877 40.322 27.487 27.741 1.00 0.00 WT1 H ATOM 8458 OH2 TIP3 1878 45.408 72.683 -2.997 1.00 0.00 WT1 O ATOM 8459 H1 TIP3 1878 44.534 73.006 -2.776 1.00 0.00 WT1 H ATOM 8460 H2 TIP3 1878 45.926 72.832 -2.207 1.00 0.00 WT1 H ATOM 8461 OH2 TIP3 1879 73.657 89.068 52.858 1.00 0.00 WT1 O ATOM 8462 H1 TIP3 1879 73.878 88.176 53.126 1.00 0.00 WT1 H ATOM 8463 H2 TIP3 1879 72.893 89.295 53.389 1.00 0.00 WT1 H ATOM 8464 OH2 TIP3 1880 59.576 31.870 64.518 1.00 0.00 WT1 O ATOM 8465 H1 TIP3 1880 59.973 32.698 64.787 1.00 0.00 WT1 H ATOM 8466 H2 TIP3 1880 58.736 32.120 64.134 1.00 0.00 WT1 H ATOM 8467 OH2 TIP3 1881 24.603 40.321 56.002 1.00 0.00 WT1 O ATOM 8468 H1 TIP3 1881 24.474 41.245 55.786 1.00 0.00 WT1 H ATOM 8469 H2 TIP3 1881 23.891 40.115 56.608 1.00 0.00 WT1 H ATOM 8470 OH2 TIP3 1882 66.803 19.300 -13.538 1.00 0.00 WT1 O ATOM 8471 H1 TIP3 1882 66.406 18.930 -12.749 1.00 0.00 WT1 H ATOM 8472 H2 TIP3 1882 67.741 19.318 -13.348 1.00 0.00 WT1 H ATOM 8473 OH2 TIP3 1883 78.839 28.462 6.557 1.00 0.00 WT1 O ATOM 8474 H1 TIP3 1883 78.228 27.993 7.126 1.00 0.00 WT1 H ATOM 8475 H2 TIP3 1883 79.703 28.265 6.919 1.00 0.00 WT1 H ATOM 8476 OH2 TIP3 1884 25.040 68.473 6.298 1.00 0.00 WT1 O ATOM 8477 H1 TIP3 1884 25.012 68.975 7.113 1.00 0.00 WT1 H ATOM 8478 H2 TIP3 1884 25.796 68.823 5.826 1.00 0.00 WT1 H ATOM 8479 OH2 TIP3 1885 53.967 2.189 16.457 1.00 0.00 WT1 O ATOM 8480 H1 TIP3 1885 53.188 2.447 16.950 1.00 0.00 WT1 H ATOM 8481 H2 TIP3 1885 54.695 2.346 17.059 1.00 0.00 WT1 H ATOM 8482 OH2 TIP3 1886 32.157 19.045 23.589 1.00 0.00 WT1 O ATOM 8483 H1 TIP3 1886 32.936 18.596 23.261 1.00 0.00 WT1 H ATOM 8484 H2 TIP3 1886 32.046 19.794 23.004 1.00 0.00 WT1 H ATOM 8485 OH2 TIP3 1887 25.325 6.248 54.937 1.00 0.00 WT1 O ATOM 8486 H1 TIP3 1887 26.137 5.819 55.207 1.00 0.00 WT1 H ATOM 8487 H2 TIP3 1887 24.979 5.692 54.239 1.00 0.00 WT1 H ATOM 8488 OH2 TIP3 1888 78.495 36.159 17.690 1.00 0.00 WT1 O ATOM 8489 H1 TIP3 1888 77.590 36.462 17.629 1.00 0.00 WT1 H ATOM 8490 H2 TIP3 1888 78.465 35.251 17.387 1.00 0.00 WT1 H ATOM 8491 OH2 TIP3 1889 83.851 0.212 49.318 1.00 0.00 WT1 O ATOM 8492 H1 TIP3 1889 83.188 -0.201 49.871 1.00 0.00 WT1 H ATOM 8493 H2 TIP3 1889 84.670 0.100 49.801 1.00 0.00 WT1 H ATOM 8494 OH2 TIP3 1890 71.822 93.114 40.768 1.00 0.00 WT1 O ATOM 8495 H1 TIP3 1890 71.589 93.825 41.366 1.00 0.00 WT1 H ATOM 8496 H2 TIP3 1890 71.016 92.936 40.282 1.00 0.00 WT1 H ATOM 8497 OH2 TIP3 1891 53.140 37.427 -6.545 1.00 0.00 WT1 O ATOM 8498 H1 TIP3 1891 53.589 36.931 -7.230 1.00 0.00 WT1 H ATOM 8499 H2 TIP3 1891 53.840 37.709 -5.955 1.00 0.00 WT1 H ATOM 8500 OH2 TIP3 1892 39.914 25.092 61.978 1.00 0.00 WT1 O ATOM 8501 H1 TIP3 1892 40.200 25.580 61.205 1.00 0.00 WT1 H ATOM 8502 H2 TIP3 1892 40.614 25.224 62.617 1.00 0.00 WT1 H ATOM 8503 OH2 TIP3 1893 33.471 25.539 65.913 1.00 0.00 WT1 O ATOM 8504 H1 TIP3 1893 32.679 25.022 65.767 1.00 0.00 WT1 H ATOM 8505 H2 TIP3 1893 33.598 25.521 66.861 1.00 0.00 WT1 H ATOM 8506 OH2 TIP3 1894 59.262 21.223 -16.817 1.00 0.00 WT1 O ATOM 8507 H1 TIP3 1894 60.157 21.110 -17.137 1.00 0.00 WT1 H ATOM 8508 H2 TIP3 1894 59.197 22.155 -16.611 1.00 0.00 WT1 H ATOM 8509 OH2 TIP3 1895 80.701 24.295 -14.517 1.00 0.00 WT1 O ATOM 8510 H1 TIP3 1895 81.492 24.771 -14.267 1.00 0.00 WT1 H ATOM 8511 H2 TIP3 1895 79.989 24.920 -14.376 1.00 0.00 WT1 H ATOM 8512 OH2 TIP3 1896 49.742 81.562 12.380 1.00 0.00 WT1 O ATOM 8513 H1 TIP3 1896 50.659 81.397 12.599 1.00 0.00 WT1 H ATOM 8514 H2 TIP3 1896 49.251 80.944 12.923 1.00 0.00 WT1 H ATOM 8515 OH2 TIP3 1897 53.544 86.629 -9.081 1.00 0.00 WT1 O ATOM 8516 H1 TIP3 1897 53.742 86.180 -9.903 1.00 0.00 WT1 H ATOM 8517 H2 TIP3 1897 52.803 87.197 -9.291 1.00 0.00 WT1 H ATOM 8518 OH2 TIP3 1898 35.415 25.431 28.995 1.00 0.00 WT1 O ATOM 8519 H1 TIP3 1898 35.101 26.312 28.791 1.00 0.00 WT1 H ATOM 8520 H2 TIP3 1898 36.346 25.545 29.183 1.00 0.00 WT1 H ATOM 8521 OH2 TIP3 1899 76.684 75.921 24.745 1.00 0.00 WT1 O ATOM 8522 H1 TIP3 1899 77.483 75.637 24.300 1.00 0.00 WT1 H ATOM 8523 H2 TIP3 1899 76.551 75.273 25.437 1.00 0.00 WT1 H ATOM 8524 OH2 TIP3 1900 43.017 96.975 12.768 1.00 0.00 WT1 O ATOM 8525 H1 TIP3 1900 42.188 97.128 13.222 1.00 0.00 WT1 H ATOM 8526 H2 TIP3 1900 43.059 96.026 12.659 1.00 0.00 WT1 H ATOM 8527 OH2 TIP3 1901 30.720 28.434 26.221 1.00 0.00 WT1 O ATOM 8528 H1 TIP3 1901 30.745 27.658 25.661 1.00 0.00 WT1 H ATOM 8529 H2 TIP3 1901 31.532 28.393 26.725 1.00 0.00 WT1 H ATOM 8530 OH2 TIP3 1902 38.802 34.196 -11.431 1.00 0.00 WT1 O ATOM 8531 H1 TIP3 1902 39.545 34.311 -10.838 1.00 0.00 WT1 H ATOM 8532 H2 TIP3 1902 38.765 33.253 -11.588 1.00 0.00 WT1 H ATOM 8533 OH2 TIP3 1903 47.689 80.590 31.689 1.00 0.00 WT1 O ATOM 8534 H1 TIP3 1903 47.636 80.212 30.812 1.00 0.00 WT1 H ATOM 8535 H2 TIP3 1903 47.319 79.919 32.263 1.00 0.00 WT1 H ATOM 8536 OH2 TIP3 1904 66.626 87.438 37.639 1.00 0.00 WT1 O ATOM 8537 H1 TIP3 1904 66.012 86.821 38.036 1.00 0.00 WT1 H ATOM 8538 H2 TIP3 1904 67.093 86.922 36.981 1.00 0.00 WT1 H ATOM 8539 OH2 TIP3 1905 60.276 67.035 -7.984 1.00 0.00 WT1 O ATOM 8540 H1 TIP3 1905 60.343 66.858 -7.045 1.00 0.00 WT1 H ATOM 8541 H2 TIP3 1905 61.178 66.989 -8.302 1.00 0.00 WT1 H ATOM 8542 OH2 TIP3 1906 63.787 73.735 20.294 1.00 0.00 WT1 O ATOM 8543 H1 TIP3 1906 63.327 73.430 19.512 1.00 0.00 WT1 H ATOM 8544 H2 TIP3 1906 63.318 73.330 21.022 1.00 0.00 WT1 H ATOM 8545 OH2 TIP3 1907 38.002 12.906 43.770 1.00 0.00 WT1 O ATOM 8546 H1 TIP3 1907 38.727 13.425 44.117 1.00 0.00 WT1 H ATOM 8547 H2 TIP3 1907 37.336 13.551 43.533 1.00 0.00 WT1 H ATOM 8548 OH2 TIP3 1908 45.242 20.368 29.010 1.00 0.00 WT1 O ATOM 8549 H1 TIP3 1908 44.323 20.529 28.799 1.00 0.00 WT1 H ATOM 8550 H2 TIP3 1908 45.421 19.497 28.654 1.00 0.00 WT1 H ATOM 8551 OH2 TIP3 1909 73.674 94.848 58.476 1.00 0.00 WT1 O ATOM 8552 H1 TIP3 1909 72.948 94.846 57.852 1.00 0.00 WT1 H ATOM 8553 H2 TIP3 1909 74.056 95.723 58.398 1.00 0.00 WT1 H ATOM 8554 OH2 TIP3 1910 82.185 63.458 38.087 1.00 0.00 WT1 O ATOM 8555 H1 TIP3 1910 82.569 63.611 38.951 1.00 0.00 WT1 H ATOM 8556 H2 TIP3 1910 81.242 63.547 38.224 1.00 0.00 WT1 H ATOM 8557 OH2 TIP3 1911 32.733 22.561 20.177 1.00 0.00 WT1 O ATOM 8558 H1 TIP3 1911 33.249 22.316 20.945 1.00 0.00 WT1 H ATOM 8559 H2 TIP3 1911 33.338 22.467 19.441 1.00 0.00 WT1 H ATOM 8560 OH2 TIP3 1912 61.212 52.227 61.614 1.00 0.00 WT1 O ATOM 8561 H1 TIP3 1912 60.555 52.324 62.304 1.00 0.00 WT1 H ATOM 8562 H2 TIP3 1912 61.455 53.124 61.386 1.00 0.00 WT1 H ATOM 8563 OH2 TIP3 1913 66.663 33.192 52.618 1.00 0.00 WT1 O ATOM 8564 H1 TIP3 1913 66.598 33.943 52.028 1.00 0.00 WT1 H ATOM 8565 H2 TIP3 1913 66.159 33.449 53.390 1.00 0.00 WT1 H ATOM 8566 OH2 TIP3 1914 80.144 85.850 12.389 1.00 0.00 WT1 O ATOM 8567 H1 TIP3 1914 80.984 85.410 12.257 1.00 0.00 WT1 H ATOM 8568 H2 TIP3 1914 79.498 85.254 12.009 1.00 0.00 WT1 H ATOM 8569 OH2 TIP3 1915 39.946 75.470 25.665 1.00 0.00 WT1 O ATOM 8570 H1 TIP3 1915 40.632 74.960 26.097 1.00 0.00 WT1 H ATOM 8571 H2 TIP3 1915 39.599 74.884 24.993 1.00 0.00 WT1 H ATOM 8572 OH2 TIP3 1916 87.777 60.772 48.028 1.00 0.00 WT1 O ATOM 8573 H1 TIP3 1916 87.907 61.540 48.583 1.00 0.00 WT1 H ATOM 8574 H2 TIP3 1916 88.555 60.234 48.175 1.00 0.00 WT1 H ATOM 8575 OH2 TIP3 1917 23.977 79.226 -11.481 1.00 0.00 WT1 O ATOM 8576 H1 TIP3 1917 24.795 78.731 -11.429 1.00 0.00 WT1 H ATOM 8577 H2 TIP3 1917 23.922 79.688 -10.645 1.00 0.00 WT1 H ATOM 8578 OH2 TIP3 1918 23.736 18.717 49.768 1.00 0.00 WT1 O ATOM 8579 H1 TIP3 1918 24.350 18.044 49.472 1.00 0.00 WT1 H ATOM 8580 H2 TIP3 1918 22.884 18.422 49.447 1.00 0.00 WT1 H ATOM 8581 OH2 TIP3 1919 37.591 41.544 13.740 1.00 0.00 WT1 O ATOM 8582 H1 TIP3 1919 38.296 41.643 13.101 1.00 0.00 WT1 H ATOM 8583 H2 TIP3 1919 38.035 41.303 14.552 1.00 0.00 WT1 H ATOM 8584 OH2 TIP3 1920 78.384 49.941 34.504 1.00 0.00 WT1 O ATOM 8585 H1 TIP3 1920 78.276 50.863 34.268 1.00 0.00 WT1 H ATOM 8586 H2 TIP3 1920 78.555 49.953 35.445 1.00 0.00 WT1 H ATOM 8587 OH2 TIP3 1921 23.035 53.543 5.171 1.00 0.00 WT1 O ATOM 8588 H1 TIP3 1921 22.733 54.015 4.395 1.00 0.00 WT1 H ATOM 8589 H2 TIP3 1921 22.291 52.995 5.423 1.00 0.00 WT1 H ATOM 8590 OH2 TIP3 1922 88.530 66.957 24.455 1.00 0.00 WT1 O ATOM 8591 H1 TIP3 1922 88.061 66.501 25.153 1.00 0.00 WT1 H ATOM 8592 H2 TIP3 1922 88.913 66.258 23.926 1.00 0.00 WT1 H ATOM 8593 OH2 TIP3 1923 68.000 27.339 -10.286 1.00 0.00 WT1 O ATOM 8594 H1 TIP3 1923 67.317 26.669 -10.266 1.00 0.00 WT1 H ATOM 8595 H2 TIP3 1923 67.522 28.169 -10.271 1.00 0.00 WT1 H ATOM 8596 OH2 TIP3 1924 44.495 38.210 10.200 1.00 0.00 WT1 O ATOM 8597 H1 TIP3 1924 45.416 38.138 9.950 1.00 0.00 WT1 H ATOM 8598 H2 TIP3 1924 44.467 38.956 10.799 1.00 0.00 WT1 H ATOM 8599 OH2 TIP3 1925 83.863 67.302 58.273 1.00 0.00 WT1 O ATOM 8600 H1 TIP3 1925 83.700 66.597 57.646 1.00 0.00 WT1 H ATOM 8601 H2 TIP3 1925 84.809 67.283 58.415 1.00 0.00 WT1 H ATOM 8602 OH2 TIP3 1926 85.763 87.864 11.970 1.00 0.00 WT1 O ATOM 8603 H1 TIP3 1926 86.110 88.717 11.707 1.00 0.00 WT1 H ATOM 8604 H2 TIP3 1926 86.169 87.692 12.819 1.00 0.00 WT1 H ATOM 8605 OH2 TIP3 1927 48.119 40.520 53.246 1.00 0.00 WT1 O ATOM 8606 H1 TIP3 1927 48.436 40.652 54.140 1.00 0.00 WT1 H ATOM 8607 H2 TIP3 1927 48.687 41.069 52.706 1.00 0.00 WT1 H ATOM 8608 OH2 TIP3 1928 49.223 8.370 -17.320 1.00 0.00 WT1 O ATOM 8609 H1 TIP3 1928 48.519 8.942 -17.626 1.00 0.00 WT1 H ATOM 8610 H2 TIP3 1928 48.996 8.176 -16.411 1.00 0.00 WT1 H ATOM 8611 OH2 TIP3 1929 37.623 41.625 0.981 1.00 0.00 WT1 O ATOM 8612 H1 TIP3 1929 36.934 41.932 0.391 1.00 0.00 WT1 H ATOM 8613 H2 TIP3 1929 37.233 40.880 1.438 1.00 0.00 WT1 H ATOM 8614 OH2 TIP3 1930 61.187 15.408 45.267 1.00 0.00 WT1 O ATOM 8615 H1 TIP3 1930 61.125 16.131 44.643 1.00 0.00 WT1 H ATOM 8616 H2 TIP3 1930 62.119 15.192 45.292 1.00 0.00 WT1 H ATOM 8617 OH2 TIP3 1931 44.828 40.698 11.697 1.00 0.00 WT1 O ATOM 8618 H1 TIP3 1931 45.131 40.458 12.573 1.00 0.00 WT1 H ATOM 8619 H2 TIP3 1931 44.637 41.634 11.757 1.00 0.00 WT1 H ATOM 8620 OH2 TIP3 1932 37.712 63.178 -10.847 1.00 0.00 WT1 O ATOM 8621 H1 TIP3 1932 37.002 63.439 -10.261 1.00 0.00 WT1 H ATOM 8622 H2 TIP3 1932 38.355 62.761 -10.274 1.00 0.00 WT1 H ATOM 8623 OH2 TIP3 1934 20.772 28.687 21.185 1.00 0.00 WT1 O ATOM 8624 H1 TIP3 1934 20.273 29.334 21.683 1.00 0.00 WT1 H ATOM 8625 H2 TIP3 1934 21.312 29.206 20.589 1.00 0.00 WT1 H ATOM 8626 OH2 TIP3 1935 25.758 42.964 -5.853 1.00 0.00 WT1 O ATOM 8627 H1 TIP3 1935 25.767 43.468 -5.039 1.00 0.00 WT1 H ATOM 8628 H2 TIP3 1935 25.221 42.197 -5.654 1.00 0.00 WT1 H ATOM 8629 OH2 TIP3 1936 75.458 46.622 19.538 1.00 0.00 WT1 O ATOM 8630 H1 TIP3 1936 74.674 46.167 19.233 1.00 0.00 WT1 H ATOM 8631 H2 TIP3 1936 75.586 47.330 18.907 1.00 0.00 WT1 H ATOM 8632 OH2 TIP3 1937 61.987 25.516 30.267 1.00 0.00 WT1 O ATOM 8633 H1 TIP3 1937 62.550 25.723 29.521 1.00 0.00 WT1 H ATOM 8634 H2 TIP3 1937 61.151 25.263 29.875 1.00 0.00 WT1 H ATOM 8635 OH2 TIP3 1938 65.909 95.811 9.784 1.00 0.00 WT1 O ATOM 8636 H1 TIP3 1938 65.018 96.159 9.769 1.00 0.00 WT1 H ATOM 8637 H2 TIP3 1938 65.806 94.877 9.599 1.00 0.00 WT1 H ATOM 8638 OH2 TIP3 1939 27.464 47.367 -4.086 1.00 0.00 WT1 O ATOM 8639 H1 TIP3 1939 27.011 47.606 -4.894 1.00 0.00 WT1 H ATOM 8640 H2 TIP3 1939 26.894 47.691 -3.387 1.00 0.00 WT1 H ATOM 8641 OH2 TIP3 1940 89.943 88.681 -3.249 1.00 0.00 WT1 O ATOM 8642 H1 TIP3 1940 90.277 89.428 -3.745 1.00 0.00 WT1 H ATOM 8643 H2 TIP3 1940 89.052 88.556 -3.575 1.00 0.00 WT1 H ATOM 8644 OH2 TIP3 1941 48.538 92.398 25.880 1.00 0.00 WT1 O ATOM 8645 H1 TIP3 1941 47.954 92.229 25.141 1.00 0.00 WT1 H ATOM 8646 H2 TIP3 1941 48.526 93.349 25.983 1.00 0.00 WT1 H ATOM 8647 OH2 TIP3 1942 49.107 40.843 22.987 1.00 0.00 WT1 O ATOM 8648 H1 TIP3 1942 48.782 41.735 22.864 1.00 0.00 WT1 H ATOM 8649 H2 TIP3 1942 50.052 40.911 22.852 1.00 0.00 WT1 H ATOM 8650 OH2 TIP3 1943 58.092 18.482 16.697 1.00 0.00 WT1 O ATOM 8651 H1 TIP3 1943 58.703 19.216 16.637 1.00 0.00 WT1 H ATOM 8652 H2 TIP3 1943 58.573 17.739 16.335 1.00 0.00 WT1 H ATOM 8653 OH2 TIP3 1944 87.329 81.086 42.854 1.00 0.00 WT1 O ATOM 8654 H1 TIP3 1944 87.206 81.644 42.087 1.00 0.00 WT1 H ATOM 8655 H2 TIP3 1944 87.053 80.216 42.565 1.00 0.00 WT1 H ATOM 8656 OH2 TIP3 1945 30.833 63.503 54.045 1.00 0.00 WT1 O ATOM 8657 H1 TIP3 1945 30.395 63.545 53.195 1.00 0.00 WT1 H ATOM 8658 H2 TIP3 1945 31.510 62.836 53.933 1.00 0.00 WT1 H ATOM 8659 OH2 TIP3 1946 86.139 49.824 30.196 1.00 0.00 WT1 O ATOM 8660 H1 TIP3 1946 86.454 50.473 29.567 1.00 0.00 WT1 H ATOM 8661 H2 TIP3 1946 85.687 50.337 30.865 1.00 0.00 WT1 H ATOM 8662 OH2 TIP3 1947 33.452 70.484 15.039 1.00 0.00 WT1 O ATOM 8663 H1 TIP3 1947 34.065 71.217 15.080 1.00 0.00 WT1 H ATOM 8664 H2 TIP3 1947 33.387 70.278 14.106 1.00 0.00 WT1 H ATOM 8665 OH2 TIP3 1948 58.117 23.614 41.220 1.00 0.00 WT1 O ATOM 8666 H1 TIP3 1948 58.545 22.858 40.818 1.00 0.00 WT1 H ATOM 8667 H2 TIP3 1948 58.444 24.366 40.727 1.00 0.00 WT1 H ATOM 8668 OH2 TIP3 1949 49.270 75.407 50.384 1.00 0.00 WT1 O ATOM 8669 H1 TIP3 1949 49.531 75.602 49.484 1.00 0.00 WT1 H ATOM 8670 H2 TIP3 1949 48.507 74.836 50.294 1.00 0.00 WT1 H ATOM 8671 OH2 TIP3 1950 39.834 26.561 1.961 1.00 0.00 WT1 O ATOM 8672 H1 TIP3 1950 39.531 26.604 1.054 1.00 0.00 WT1 H ATOM 8673 H2 TIP3 1950 40.753 26.828 1.919 1.00 0.00 WT1 H ATOM 8674 OH2 TIP3 1951 56.932 16.972 46.548 1.00 0.00 WT1 O ATOM 8675 H1 TIP3 1951 56.984 16.748 45.618 1.00 0.00 WT1 H ATOM 8676 H2 TIP3 1951 57.508 16.340 46.979 1.00 0.00 WT1 H ATOM 8677 OH2 TIP3 1952 65.409 27.703 2.854 1.00 0.00 WT1 O ATOM 8678 H1 TIP3 1952 65.157 28.343 3.520 1.00 0.00 WT1 H ATOM 8679 H2 TIP3 1952 65.641 26.919 3.351 1.00 0.00 WT1 H ATOM 8680 OH2 TIP3 1953 31.209 33.341 41.463 1.00 0.00 WT1 O ATOM 8681 H1 TIP3 1953 31.387 34.128 40.947 1.00 0.00 WT1 H ATOM 8682 H2 TIP3 1953 30.595 33.631 42.138 1.00 0.00 WT1 H ATOM 8683 OH2 TIP3 1954 78.781 37.931 64.908 1.00 0.00 WT1 O ATOM 8684 H1 TIP3 1954 78.821 38.163 63.980 1.00 0.00 WT1 H ATOM 8685 H2 TIP3 1954 77.974 37.423 64.994 1.00 0.00 WT1 H ATOM 8686 OH2 TIP3 1955 86.234 43.318 9.501 1.00 0.00 WT1 O ATOM 8687 H1 TIP3 1955 85.818 43.863 8.833 1.00 0.00 WT1 H ATOM 8688 H2 TIP3 1955 85.586 43.264 10.204 1.00 0.00 WT1 H ATOM 8689 OH2 TIP3 1956 67.412 7.046 51.046 1.00 0.00 WT1 O ATOM 8690 H1 TIP3 1956 67.434 7.860 50.542 1.00 0.00 WT1 H ATOM 8691 H2 TIP3 1956 66.894 7.259 51.823 1.00 0.00 WT1 H ATOM 8692 OH2 TIP3 1957 41.862 38.700 23.995 1.00 0.00 WT1 O ATOM 8693 H1 TIP3 1957 42.740 39.058 24.126 1.00 0.00 WT1 H ATOM 8694 H2 TIP3 1957 42.012 37.797 23.712 1.00 0.00 WT1 H ATOM 8695 OH2 TIP3 1958 40.097 45.971 36.868 1.00 0.00 WT1 O ATOM 8696 H1 TIP3 1958 40.730 45.423 37.332 1.00 0.00 WT1 H ATOM 8697 H2 TIP3 1958 40.079 46.789 37.364 1.00 0.00 WT1 H ATOM 8698 OH2 TIP3 1959 66.944 80.988 22.781 1.00 0.00 WT1 O ATOM 8699 H1 TIP3 1959 66.798 81.776 22.257 1.00 0.00 WT1 H ATOM 8700 H2 TIP3 1959 66.218 80.409 22.551 1.00 0.00 WT1 H ATOM 8701 OH2 TIP3 1960 58.409 22.155 -10.409 1.00 0.00 WT1 O ATOM 8702 H1 TIP3 1960 58.320 22.359 -11.341 1.00 0.00 WT1 H ATOM 8703 H2 TIP3 1960 57.518 22.222 -10.064 1.00 0.00 WT1 H ATOM 8704 OH2 TIP3 1961 63.855 80.788 -5.980 1.00 0.00 WT1 O ATOM 8705 H1 TIP3 1961 63.942 81.137 -6.867 1.00 0.00 WT1 H ATOM 8706 H2 TIP3 1961 64.752 80.758 -5.645 1.00 0.00 WT1 H ATOM 8707 OH2 TIP3 1962 37.390 68.283 -0.046 1.00 0.00 WT1 O ATOM 8708 H1 TIP3 1962 38.051 67.597 -0.140 1.00 0.00 WT1 H ATOM 8709 H2 TIP3 1962 37.803 68.937 0.519 1.00 0.00 WT1 H ATOM 8710 OH2 TIP3 1964 55.755 45.928 19.543 1.00 0.00 WT1 O ATOM 8711 H1 TIP3 1964 54.913 46.141 19.141 1.00 0.00 WT1 H ATOM 8712 H2 TIP3 1964 55.746 44.975 19.631 1.00 0.00 WT1 H ATOM 8713 OH2 TIP3 1965 23.354 72.978 -8.063 1.00 0.00 WT1 O ATOM 8714 H1 TIP3 1965 22.969 72.310 -7.497 1.00 0.00 WT1 H ATOM 8715 H2 TIP3 1965 22.845 73.768 -7.883 1.00 0.00 WT1 H ATOM 8716 OH2 TIP3 1966 58.386 15.485 7.288 1.00 0.00 WT1 O ATOM 8717 H1 TIP3 1966 57.942 14.638 7.328 1.00 0.00 WT1 H ATOM 8718 H2 TIP3 1966 59.210 15.346 7.756 1.00 0.00 WT1 H ATOM 8719 OH2 TIP3 1967 37.173 78.479 36.959 1.00 0.00 WT1 O ATOM 8720 H1 TIP3 1967 38.084 78.446 36.666 1.00 0.00 WT1 H ATOM 8721 H2 TIP3 1967 36.702 78.891 36.234 1.00 0.00 WT1 H ATOM 8722 OH2 TIP3 1968 76.176 10.297 -15.573 1.00 0.00 WT1 O ATOM 8723 H1 TIP3 1968 76.731 10.164 -14.805 1.00 0.00 WT1 H ATOM 8724 H2 TIP3 1968 76.125 9.434 -15.985 1.00 0.00 WT1 H ATOM 8725 OH2 TIP3 1969 41.705 12.026 58.898 1.00 0.00 WT1 O ATOM 8726 H1 TIP3 1969 41.328 11.361 58.322 1.00 0.00 WT1 H ATOM 8727 H2 TIP3 1969 41.359 11.817 59.765 1.00 0.00 WT1 H ATOM 8728 OH2 TIP3 1971 87.232 71.357 59.172 1.00 0.00 WT1 O ATOM 8729 H1 TIP3 1971 87.745 71.347 58.364 1.00 0.00 WT1 H ATOM 8730 H2 TIP3 1971 87.851 71.640 59.846 1.00 0.00 WT1 H ATOM 8731 OH2 TIP3 1973 39.480 9.514 -9.041 1.00 0.00 WT1 O ATOM 8732 H1 TIP3 1973 39.587 10.441 -8.826 1.00 0.00 WT1 H ATOM 8733 H2 TIP3 1973 40.203 9.321 -9.638 1.00 0.00 WT1 H ATOM 8734 OH2 TIP3 1974 26.074 90.823 21.251 1.00 0.00 WT1 O ATOM 8735 H1 TIP3 1974 26.165 91.650 21.724 1.00 0.00 WT1 H ATOM 8736 H2 TIP3 1974 26.835 90.308 21.518 1.00 0.00 WT1 H ATOM 8737 OH2 TIP3 1975 53.483 57.205 53.702 1.00 0.00 WT1 O ATOM 8738 H1 TIP3 1975 52.743 57.812 53.724 1.00 0.00 WT1 H ATOM 8739 H2 TIP3 1975 54.172 57.684 53.242 1.00 0.00 WT1 H ATOM 8740 OH2 TIP3 1976 83.465 43.247 54.939 1.00 0.00 WT1 O ATOM 8741 H1 TIP3 1976 82.652 42.925 54.550 1.00 0.00 WT1 H ATOM 8742 H2 TIP3 1976 83.300 44.175 55.106 1.00 0.00 WT1 H ATOM 8743 OH2 TIP3 1977 37.179 83.912 44.275 1.00 0.00 WT1 O ATOM 8744 H1 TIP3 1977 37.897 83.393 43.913 1.00 0.00 WT1 H ATOM 8745 H2 TIP3 1977 37.548 84.788 44.387 1.00 0.00 WT1 H ATOM 8746 OH2 TIP3 1978 43.077 19.992 59.805 1.00 0.00 WT1 O ATOM 8747 H1 TIP3 1978 43.568 19.540 59.119 1.00 0.00 WT1 H ATOM 8748 H2 TIP3 1978 42.706 19.290 60.338 1.00 0.00 WT1 H ATOM 8749 OH2 TIP3 1979 89.971 82.156 20.407 1.00 0.00 WT1 O ATOM 8750 H1 TIP3 1979 90.344 82.659 21.131 1.00 0.00 WT1 H ATOM 8751 H2 TIP3 1979 89.728 81.317 20.797 1.00 0.00 WT1 H ATOM 8752 OH2 TIP3 1980 35.584 49.944 35.445 1.00 0.00 WT1 O ATOM 8753 H1 TIP3 1980 34.988 50.208 34.744 1.00 0.00 WT1 H ATOM 8754 H2 TIP3 1980 36.457 50.041 35.066 1.00 0.00 WT1 H ATOM 8755 OH2 TIP3 1981 26.833 43.983 42.051 1.00 0.00 WT1 O ATOM 8756 H1 TIP3 1981 26.297 43.553 41.385 1.00 0.00 WT1 H ATOM 8757 H2 TIP3 1981 26.215 44.518 42.549 1.00 0.00 WT1 H ATOM 8758 OH2 TIP3 1982 49.538 93.644 49.360 1.00 0.00 WT1 O ATOM 8759 H1 TIP3 1982 50.093 93.718 48.584 1.00 0.00 WT1 H ATOM 8760 H2 TIP3 1982 49.600 92.723 49.613 1.00 0.00 WT1 H ATOM 8761 OH2 TIP3 1983 74.940 33.407 48.698 1.00 0.00 WT1 O ATOM 8762 H1 TIP3 1983 74.465 33.523 49.521 1.00 0.00 WT1 H ATOM 8763 H2 TIP3 1983 74.255 33.289 48.040 1.00 0.00 WT1 H ATOM 8764 OH2 TIP3 1984 29.035 55.461 64.850 1.00 0.00 WT1 O ATOM 8765 H1 TIP3 1984 28.391 55.359 64.150 1.00 0.00 WT1 H ATOM 8766 H2 TIP3 1984 28.532 55.350 65.657 1.00 0.00 WT1 H ATOM 8767 OH2 TIP3 1986 33.030 45.332 9.676 1.00 0.00 WT1 O ATOM 8768 H1 TIP3 1986 32.166 45.369 10.086 1.00 0.00 WT1 H ATOM 8769 H2 TIP3 1986 33.624 45.092 10.387 1.00 0.00 WT1 H ATOM 8770 OH2 TIP3 1987 54.279 77.814 17.923 1.00 0.00 WT1 O ATOM 8771 H1 TIP3 1987 54.580 76.929 17.719 1.00 0.00 WT1 H ATOM 8772 H2 TIP3 1987 53.796 78.089 17.144 1.00 0.00 WT1 H ATOM 8773 OH2 TIP3 1989 87.347 43.882 17.544 1.00 0.00 WT1 O ATOM 8774 H1 TIP3 1989 88.047 44.430 17.191 1.00 0.00 WT1 H ATOM 8775 H2 TIP3 1989 87.290 43.145 16.935 1.00 0.00 WT1 H ATOM 8776 OH2 TIP3 1990 66.202 46.602 33.265 1.00 0.00 WT1 O ATOM 8777 H1 TIP3 1990 66.144 46.023 32.506 1.00 0.00 WT1 H ATOM 8778 H2 TIP3 1990 66.174 47.485 32.896 1.00 0.00 WT1 H ATOM 8779 OH2 TIP3 1991 38.557 30.837 61.101 1.00 0.00 WT1 O ATOM 8780 H1 TIP3 1991 38.563 31.216 60.222 1.00 0.00 WT1 H ATOM 8781 H2 TIP3 1991 37.630 30.770 61.327 1.00 0.00 WT1 H ATOM 8782 OH2 TIP3 1992 38.932 88.170 6.042 1.00 0.00 WT1 O ATOM 8783 H1 TIP3 1992 38.749 88.930 5.490 1.00 0.00 WT1 H ATOM 8784 H2 TIP3 1992 39.806 88.336 6.397 1.00 0.00 WT1 H ATOM 8785 OH2 TIP3 1993 35.908 16.820 16.921 1.00 0.00 WT1 O ATOM 8786 H1 TIP3 1993 36.769 16.908 16.513 1.00 0.00 WT1 H ATOM 8787 H2 TIP3 1993 35.610 17.721 17.050 1.00 0.00 WT1 H ATOM 8788 OH2 TIP3 1994 77.249 38.097 31.789 1.00 0.00 WT1 O ATOM 8789 H1 TIP3 1994 77.438 37.793 30.901 1.00 0.00 WT1 H ATOM 8790 H2 TIP3 1994 76.856 38.962 31.668 1.00 0.00 WT1 H ATOM 8791 OH2 TIP3 1995 73.494 81.252 34.729 1.00 0.00 WT1 O ATOM 8792 H1 TIP3 1995 74.363 80.920 34.954 1.00 0.00 WT1 H ATOM 8793 H2 TIP3 1995 72.887 80.652 35.163 1.00 0.00 WT1 H ATOM 8794 OH2 TIP3 1996 64.363 31.225 28.608 1.00 0.00 WT1 O ATOM 8795 H1 TIP3 1996 64.405 30.364 28.192 1.00 0.00 WT1 H ATOM 8796 H2 TIP3 1996 63.451 31.315 28.884 1.00 0.00 WT1 H ATOM 8797 OH2 TIP3 1997 59.215 40.790 -13.582 1.00 0.00 WT1 O ATOM 8798 H1 TIP3 1997 58.266 40.673 -13.529 1.00 0.00 WT1 H ATOM 8799 H2 TIP3 1997 59.448 40.467 -14.453 1.00 0.00 WT1 H ATOM 8800 OH2 TIP3 1998 60.741 63.396 57.073 1.00 0.00 WT1 O ATOM 8801 H1 TIP3 1998 60.138 63.804 56.451 1.00 0.00 WT1 H ATOM 8802 H2 TIP3 1998 60.244 62.669 57.447 1.00 0.00 WT1 H ATOM 8803 OH2 TIP3 1999 84.000 43.849 18.818 1.00 0.00 WT1 O ATOM 8804 H1 TIP3 1999 84.490 44.345 19.474 1.00 0.00 WT1 H ATOM 8805 H2 TIP3 1999 83.102 43.834 19.149 1.00 0.00 WT1 H ATOM 8806 OH2 TIP3 2000 23.390 43.924 11.600 1.00 0.00 WT1 O ATOM 8807 H1 TIP3 2000 23.711 43.490 12.390 1.00 0.00 WT1 H ATOM 8808 H2 TIP3 2000 23.119 44.793 11.897 1.00 0.00 WT1 H ATOM 8809 OH2 TIP3 2001 39.149 59.048 -1.660 1.00 0.00 WT1 O ATOM 8810 H1 TIP3 2001 39.062 59.086 -0.707 1.00 0.00 WT1 H ATOM 8811 H2 TIP3 2001 38.309 59.363 -1.991 1.00 0.00 WT1 H ATOM 8812 OH2 TIP3 2002 37.880 35.550 -13.868 1.00 0.00 WT1 O ATOM 8813 H1 TIP3 2002 38.138 34.694 -13.528 1.00 0.00 WT1 H ATOM 8814 H2 TIP3 2002 38.142 36.168 -13.185 1.00 0.00 WT1 H ATOM 8815 OH2 TIP3 2003 30.645 65.867 11.076 1.00 0.00 WT1 O ATOM 8816 H1 TIP3 2003 30.051 65.180 11.380 1.00 0.00 WT1 H ATOM 8817 H2 TIP3 2003 31.222 65.427 10.452 1.00 0.00 WT1 H ATOM 8818 OH2 TIP3 2004 28.141 28.688 14.096 1.00 0.00 WT1 O ATOM 8819 H1 TIP3 2004 28.135 29.487 14.623 1.00 0.00 WT1 H ATOM 8820 H2 TIP3 2004 28.933 28.225 14.372 1.00 0.00 WT1 H ATOM 8821 OH2 TIP3 2005 67.970 74.568 -7.143 1.00 0.00 WT1 O ATOM 8822 H1 TIP3 2005 67.632 74.385 -8.019 1.00 0.00 WT1 H ATOM 8823 H2 TIP3 2005 67.962 73.719 -6.701 1.00 0.00 WT1 H ATOM 8824 OH2 TIP3 2006 30.861 44.068 21.366 1.00 0.00 WT1 O ATOM 8825 H1 TIP3 2006 30.557 44.289 20.485 1.00 0.00 WT1 H ATOM 8826 H2 TIP3 2006 31.259 44.875 21.691 1.00 0.00 WT1 H ATOM 8827 OH2 TIP3 2008 63.491 2.096 59.744 1.00 0.00 WT1 O ATOM 8828 H1 TIP3 2008 62.966 1.314 59.914 1.00 0.00 WT1 H ATOM 8829 H2 TIP3 2008 64.330 1.920 60.170 1.00 0.00 WT1 H ATOM 8830 OH2 TIP3 2010 47.540 42.260 55.835 1.00 0.00 WT1 O ATOM 8831 H1 TIP3 2010 47.414 41.367 56.154 1.00 0.00 WT1 H ATOM 8832 H2 TIP3 2010 47.873 42.741 56.593 1.00 0.00 WT1 H ATOM 8833 OH2 TIP3 2013 43.059 13.221 44.239 1.00 0.00 WT1 O ATOM 8834 H1 TIP3 2013 42.293 13.322 43.674 1.00 0.00 WT1 H ATOM 8835 H2 TIP3 2013 43.618 12.596 43.776 1.00 0.00 WT1 H ATOM 8836 OH2 TIP3 2014 85.339 62.243 2.532 1.00 0.00 WT1 O ATOM 8837 H1 TIP3 2014 84.912 61.388 2.563 1.00 0.00 WT1 H ATOM 8838 H2 TIP3 2014 85.976 62.168 1.822 1.00 0.00 WT1 H ATOM 8839 OH2 TIP3 2015 86.454 28.027 14.175 1.00 0.00 WT1 O ATOM 8840 H1 TIP3 2015 85.587 28.128 14.568 1.00 0.00 WT1 H ATOM 8841 H2 TIP3 2015 86.285 27.955 13.235 1.00 0.00 WT1 H ATOM 8842 OH2 TIP3 2016 59.594 53.084 33.830 1.00 0.00 WT1 O ATOM 8843 H1 TIP3 2016 59.739 52.490 33.093 1.00 0.00 WT1 H ATOM 8844 H2 TIP3 2016 58.986 53.742 33.492 1.00 0.00 WT1 H ATOM 8845 OH2 TIP3 2017 62.087 86.302 14.148 1.00 0.00 WT1 O ATOM 8846 H1 TIP3 2017 61.540 85.821 13.527 1.00 0.00 WT1 H ATOM 8847 H2 TIP3 2017 62.452 85.627 14.720 1.00 0.00 WT1 H ATOM 8848 OH2 TIP3 2018 30.254 66.941 -11.110 1.00 0.00 WT1 O ATOM 8849 H1 TIP3 2018 29.388 66.984 -10.704 1.00 0.00 WT1 H ATOM 8850 H2 TIP3 2018 30.121 66.420 -11.902 1.00 0.00 WT1 H ATOM 8851 OH2 TIP3 2019 25.745 87.894 -0.714 1.00 0.00 WT1 O ATOM 8852 H1 TIP3 2019 26.455 87.983 -0.078 1.00 0.00 WT1 H ATOM 8853 H2 TIP3 2019 25.075 87.386 -0.257 1.00 0.00 WT1 H ATOM 8854 OH2 TIP3 2020 69.111 40.103 43.637 1.00 0.00 WT1 O ATOM 8855 H1 TIP3 2020 68.224 40.457 43.572 1.00 0.00 WT1 H ATOM 8856 H2 TIP3 2020 69.605 40.776 44.105 1.00 0.00 WT1 H ATOM 8857 OH2 TIP3 2021 26.899 52.980 0.714 1.00 0.00 WT1 O ATOM 8858 H1 TIP3 2021 27.807 53.204 0.914 1.00 0.00 WT1 H ATOM 8859 H2 TIP3 2021 26.383 53.477 1.349 1.00 0.00 WT1 H ATOM 8860 OH2 TIP3 2022 84.475 23.380 9.041 1.00 0.00 WT1 O ATOM 8861 H1 TIP3 2022 85.267 23.737 9.443 1.00 0.00 WT1 H ATOM 8862 H2 TIP3 2022 83.840 23.341 9.756 1.00 0.00 WT1 H ATOM 8863 OH2 TIP3 2023 50.060 73.108 -0.603 1.00 0.00 WT1 O ATOM 8864 H1 TIP3 2023 50.037 73.107 0.354 1.00 0.00 WT1 H ATOM 8865 H2 TIP3 2023 50.539 73.905 -0.830 1.00 0.00 WT1 H ATOM 8866 OH2 TIP3 2024 43.795 56.741 13.759 1.00 0.00 WT1 O ATOM 8867 H1 TIP3 2024 44.440 57.443 13.679 1.00 0.00 WT1 H ATOM 8868 H2 TIP3 2024 43.769 56.546 14.696 1.00 0.00 WT1 H ATOM 8869 OH2 TIP3 2025 83.796 65.322 25.399 1.00 0.00 WT1 O ATOM 8870 H1 TIP3 2025 83.157 64.611 25.440 1.00 0.00 WT1 H ATOM 8871 H2 TIP3 2025 84.000 65.409 24.468 1.00 0.00 WT1 H ATOM 8872 OH2 TIP3 2030 66.652 59.159 56.870 1.00 0.00 WT1 O ATOM 8873 H1 TIP3 2030 65.868 59.663 56.652 1.00 0.00 WT1 H ATOM 8874 H2 TIP3 2030 66.784 58.584 56.117 1.00 0.00 WT1 H ATOM 8875 OH2 TIP3 2032 37.639 92.740 -16.316 1.00 0.00 WT1 O ATOM 8876 H1 TIP3 2032 37.839 91.804 -16.304 1.00 0.00 WT1 H ATOM 8877 H2 TIP3 2032 36.783 92.807 -15.893 1.00 0.00 WT1 H ATOM 8878 OH2 TIP3 2033 55.950 56.475 60.584 1.00 0.00 WT1 O ATOM 8879 H1 TIP3 2033 55.197 56.205 61.110 1.00 0.00 WT1 H ATOM 8880 H2 TIP3 2033 56.639 55.850 60.812 1.00 0.00 WT1 H ATOM 8881 OH2 TIP3 2035 55.823 26.975 6.323 1.00 0.00 WT1 O ATOM 8882 H1 TIP3 2035 55.121 27.575 6.073 1.00 0.00 WT1 H ATOM 8883 H2 TIP3 2035 56.417 27.508 6.852 1.00 0.00 WT1 H ATOM 8884 OH2 TIP3 2036 61.878 68.049 48.527 1.00 0.00 WT1 O ATOM 8885 H1 TIP3 2036 62.362 68.633 47.944 1.00 0.00 WT1 H ATOM 8886 H2 TIP3 2036 62.154 67.169 48.270 1.00 0.00 WT1 H ATOM 8887 OH2 TIP3 2037 32.780 15.724 10.447 1.00 0.00 WT1 O ATOM 8888 H1 TIP3 2037 33.598 15.945 10.001 1.00 0.00 WT1 H ATOM 8889 H2 TIP3 2037 33.054 15.409 11.309 1.00 0.00 WT1 H ATOM 8890 OH2 TIP3 2038 40.309 55.804 -10.669 1.00 0.00 WT1 O ATOM 8891 H1 TIP3 2038 40.622 56.452 -11.300 1.00 0.00 WT1 H ATOM 8892 H2 TIP3 2038 40.058 56.318 -9.901 1.00 0.00 WT1 H ATOM 8893 OH2 TIP3 2040 28.652 39.697 60.811 1.00 0.00 WT1 O ATOM 8894 H1 TIP3 2040 28.342 39.100 61.491 1.00 0.00 WT1 H ATOM 8895 H2 TIP3 2040 27.853 40.028 60.400 1.00 0.00 WT1 H ATOM 8896 OH2 TIP3 2041 36.311 61.147 38.214 1.00 0.00 WT1 O ATOM 8897 H1 TIP3 2041 37.091 60.731 38.581 1.00 0.00 WT1 H ATOM 8898 H2 TIP3 2041 36.575 62.053 38.056 1.00 0.00 WT1 H ATOM 8899 OH2 TIP3 2042 33.954 83.545 26.050 1.00 0.00 WT1 O ATOM 8900 H1 TIP3 2042 33.914 83.131 26.912 1.00 0.00 WT1 H ATOM 8901 H2 TIP3 2042 34.884 83.725 25.913 1.00 0.00 WT1 H ATOM 8902 OH2 TIP3 2043 53.979 20.124 -17.952 1.00 0.00 WT1 O ATOM 8903 H1 TIP3 2043 53.897 20.695 -18.716 1.00 0.00 WT1 H ATOM 8904 H2 TIP3 2043 54.890 19.830 -17.969 1.00 0.00 WT1 H ATOM 8905 OH2 TIP3 2044 62.582 75.508 42.746 1.00 0.00 WT1 O ATOM 8906 H1 TIP3 2044 61.817 75.016 42.446 1.00 0.00 WT1 H ATOM 8907 H2 TIP3 2044 63.295 75.208 42.182 1.00 0.00 WT1 H ATOM 8908 OH2 TIP3 2045 72.471 77.526 -19.405 1.00 0.00 WT1 O ATOM 8909 H1 TIP3 2045 71.592 77.551 -19.784 1.00 0.00 WT1 H ATOM 8910 H2 TIP3 2045 72.772 78.434 -19.439 1.00 0.00 WT1 H ATOM 8911 OH2 TIP3 2046 57.720 65.385 -11.680 1.00 0.00 WT1 O ATOM 8912 H1 TIP3 2046 57.031 64.741 -11.847 1.00 0.00 WT1 H ATOM 8913 H2 TIP3 2046 57.636 65.590 -10.749 1.00 0.00 WT1 H ATOM 8914 OH2 TIP3 2047 61.630 43.868 58.141 1.00 0.00 WT1 O ATOM 8915 H1 TIP3 2047 60.808 43.965 58.622 1.00 0.00 WT1 H ATOM 8916 H2 TIP3 2047 62.037 43.087 58.517 1.00 0.00 WT1 H ATOM 8917 OH2 TIP3 2049 54.823 14.960 35.596 1.00 0.00 WT1 O ATOM 8918 H1 TIP3 2049 55.416 15.692 35.764 1.00 0.00 WT1 H ATOM 8919 H2 TIP3 2049 55.082 14.634 34.734 1.00 0.00 WT1 H ATOM 8920 OH2 TIP3 2051 64.202 45.472 35.190 1.00 0.00 WT1 O ATOM 8921 H1 TIP3 2051 63.472 45.428 34.573 1.00 0.00 WT1 H ATOM 8922 H2 TIP3 2051 64.975 45.276 34.661 1.00 0.00 WT1 H ATOM 8923 OH2 TIP3 2052 72.469 47.129 38.553 1.00 0.00 WT1 O ATOM 8924 H1 TIP3 2052 73.185 46.494 38.555 1.00 0.00 WT1 H ATOM 8925 H2 TIP3 2052 72.881 47.957 38.798 1.00 0.00 WT1 H ATOM 8926 OH2 TIP3 2053 54.905 -0.022 58.694 1.00 0.00 WT1 O ATOM 8927 H1 TIP3 2053 55.790 0.264 58.920 1.00 0.00 WT1 H ATOM 8928 H2 TIP3 2053 54.817 0.179 57.763 1.00 0.00 WT1 H ATOM 8929 OH2 TIP3 2055 82.277 64.504 59.306 1.00 0.00 WT1 O ATOM 8930 H1 TIP3 2055 83.233 64.468 59.271 1.00 0.00 WT1 H ATOM 8931 H2 TIP3 2055 82.020 63.664 59.687 1.00 0.00 WT1 H ATOM 8932 OH2 TIP3 2056 33.662 88.964 -12.727 1.00 0.00 WT1 O ATOM 8933 H1 TIP3 2056 34.268 88.611 -12.076 1.00 0.00 WT1 H ATOM 8934 H2 TIP3 2056 34.227 89.307 -13.420 1.00 0.00 WT1 H ATOM 8935 OH2 TIP3 2057 83.633 19.895 8.814 1.00 0.00 WT1 O ATOM 8936 H1 TIP3 2057 82.936 19.240 8.857 1.00 0.00 WT1 H ATOM 8937 H2 TIP3 2057 83.451 20.486 9.545 1.00 0.00 WT1 H ATOM 8938 OH2 TIP3 2058 69.102 19.737 44.554 1.00 0.00 WT1 O ATOM 8939 H1 TIP3 2058 69.936 19.409 44.890 1.00 0.00 WT1 H ATOM 8940 H2 TIP3 2058 68.832 19.088 43.905 1.00 0.00 WT1 H ATOM 8941 OH2 TIP3 2059 29.249 57.904 -14.859 1.00 0.00 WT1 O ATOM 8942 H1 TIP3 2059 29.071 58.372 -14.044 1.00 0.00 WT1 H ATOM 8943 H2 TIP3 2059 30.136 57.559 -14.749 1.00 0.00 WT1 H ATOM 8944 OH2 TIP3 2060 78.807 60.142 -7.887 1.00 0.00 WT1 O ATOM 8945 H1 TIP3 2060 78.227 60.599 -8.497 1.00 0.00 WT1 H ATOM 8946 H2 TIP3 2060 78.969 60.777 -7.189 1.00 0.00 WT1 H ATOM 8947 OH2 TIP3 2061 28.284 52.528 3.627 1.00 0.00 WT1 O ATOM 8948 H1 TIP3 2061 27.398 52.170 3.684 1.00 0.00 WT1 H ATOM 8949 H2 TIP3 2061 28.702 52.268 4.447 1.00 0.00 WT1 H ATOM 8950 OH2 TIP3 2062 20.833 34.502 13.798 1.00 0.00 WT1 O ATOM 8951 H1 TIP3 2062 20.855 35.014 14.606 1.00 0.00 WT1 H ATOM 8952 H2 TIP3 2062 20.316 35.033 13.192 1.00 0.00 WT1 H ATOM 8953 OH2 TIP3 2063 87.415 67.374 66.451 1.00 0.00 WT1 O ATOM 8954 H1 TIP3 2063 88.060 67.147 67.120 1.00 0.00 WT1 H ATOM 8955 H2 TIP3 2063 86.577 67.098 66.822 1.00 0.00 WT1 H ATOM 8956 OH2 TIP3 2064 62.416 91.359 64.429 1.00 0.00 WT1 O ATOM 8957 H1 TIP3 2064 62.566 91.148 63.507 1.00 0.00 WT1 H ATOM 8958 H2 TIP3 2064 63.113 90.900 64.897 1.00 0.00 WT1 H ATOM 8959 OH2 TIP3 2066 41.667 49.794 12.151 1.00 0.00 WT1 O ATOM 8960 H1 TIP3 2066 41.774 49.580 13.078 1.00 0.00 WT1 H ATOM 8961 H2 TIP3 2066 42.480 50.238 11.912 1.00 0.00 WT1 H ATOM 8962 OH2 TIP3 2067 70.824 86.883 10.195 1.00 0.00 WT1 O ATOM 8963 H1 TIP3 2067 70.669 86.055 9.739 1.00 0.00 WT1 H ATOM 8964 H2 TIP3 2067 71.768 87.025 10.119 1.00 0.00 WT1 H ATOM 8965 OH2 TIP3 2068 27.975 82.292 18.772 1.00 0.00 WT1 O ATOM 8966 H1 TIP3 2068 27.844 81.377 18.524 1.00 0.00 WT1 H ATOM 8967 H2 TIP3 2068 28.200 82.259 19.702 1.00 0.00 WT1 H ATOM 8968 OH2 TIP3 2069 67.484 30.335 -16.882 1.00 0.00 WT1 O ATOM 8969 H1 TIP3 2069 67.546 30.408 -15.930 1.00 0.00 WT1 H ATOM 8970 H2 TIP3 2069 66.545 30.296 -17.060 1.00 0.00 WT1 H ATOM 8971 OH2 TIP3 2070 67.851 32.907 44.777 1.00 0.00 WT1 O ATOM 8972 H1 TIP3 2070 67.352 33.412 45.419 1.00 0.00 WT1 H ATOM 8973 H2 TIP3 2070 68.756 33.194 44.896 1.00 0.00 WT1 H ATOM 8974 OH2 TIP3 2071 70.071 43.758 12.731 1.00 0.00 WT1 O ATOM 8975 H1 TIP3 2071 69.935 44.462 13.364 1.00 0.00 WT1 H ATOM 8976 H2 TIP3 2071 69.190 43.527 12.436 1.00 0.00 WT1 H ATOM 8977 OH2 TIP3 2074 83.176 67.473 49.061 1.00 0.00 WT1 O ATOM 8978 H1 TIP3 2074 83.066 66.523 49.006 1.00 0.00 WT1 H ATOM 8979 H2 TIP3 2074 83.381 67.638 49.981 1.00 0.00 WT1 H ATOM 8980 OH2 TIP3 2075 46.790 82.025 -10.240 1.00 0.00 WT1 O ATOM 8981 H1 TIP3 2075 47.037 81.457 -10.969 1.00 0.00 WT1 H ATOM 8982 H2 TIP3 2075 45.917 81.726 -9.987 1.00 0.00 WT1 H ATOM 8983 OH2 TIP3 2076 21.621 88.091 7.059 1.00 0.00 WT1 O ATOM 8984 H1 TIP3 2076 21.940 88.150 7.959 1.00 0.00 WT1 H ATOM 8985 H2 TIP3 2076 20.857 88.668 7.037 1.00 0.00 WT1 H ATOM 8986 OH2 TIP3 2079 89.969 35.591 48.044 1.00 0.00 WT1 O ATOM 8987 H1 TIP3 2079 90.375 34.759 47.802 1.00 0.00 WT1 H ATOM 8988 H2 TIP3 2079 90.589 35.991 48.655 1.00 0.00 WT1 H ATOM 8989 OH2 TIP3 2080 56.871 45.542 43.559 1.00 0.00 WT1 O ATOM 8990 H1 TIP3 2080 56.908 45.491 44.514 1.00 0.00 WT1 H ATOM 8991 H2 TIP3 2080 56.563 44.678 43.285 1.00 0.00 WT1 H ATOM 8992 OH2 TIP3 2081 27.751 83.000 -4.134 1.00 0.00 WT1 O ATOM 8993 H1 TIP3 2081 28.200 83.822 -4.330 1.00 0.00 WT1 H ATOM 8994 H2 TIP3 2081 27.701 82.547 -4.976 1.00 0.00 WT1 H ATOM 8995 OH2 TIP3 2082 30.203 86.836 -7.134 1.00 0.00 WT1 O ATOM 8996 H1 TIP3 2082 30.588 87.045 -7.985 1.00 0.00 WT1 H ATOM 8997 H2 TIP3 2082 29.877 85.941 -7.231 1.00 0.00 WT1 H ATOM 8998 OH2 TIP3 2083 25.006 55.058 59.023 1.00 0.00 WT1 O ATOM 8999 H1 TIP3 2083 25.264 54.950 58.108 1.00 0.00 WT1 H ATOM 9000 H2 TIP3 2083 25.352 54.282 59.464 1.00 0.00 WT1 H ATOM 9001 OH2 TIP3 2084 39.248 15.328 9.170 1.00 0.00 WT1 O ATOM 9002 H1 TIP3 2084 38.893 14.708 8.533 1.00 0.00 WT1 H ATOM 9003 H2 TIP3 2084 39.799 14.794 9.742 1.00 0.00 WT1 H ATOM 9004 OH2 TIP3 2086 86.894 56.621 56.913 1.00 0.00 WT1 O ATOM 9005 H1 TIP3 2086 86.179 56.195 57.386 1.00 0.00 WT1 H ATOM 9006 H2 TIP3 2086 87.622 56.003 56.973 1.00 0.00 WT1 H ATOM 9007 OH2 TIP3 2087 72.101 96.181 8.526 1.00 0.00 WT1 O ATOM 9008 H1 TIP3 2087 72.580 96.631 9.222 1.00 0.00 WT1 H ATOM 9009 H2 TIP3 2087 72.425 96.577 7.717 1.00 0.00 WT1 H ATOM 9010 OH2 TIP3 2088 76.848 34.864 -10.553 1.00 0.00 WT1 O ATOM 9011 H1 TIP3 2088 77.477 34.201 -10.837 1.00 0.00 WT1 H ATOM 9012 H2 TIP3 2088 77.221 35.218 -9.745 1.00 0.00 WT1 H ATOM 9013 OH2 TIP3 2089 77.509 85.044 -7.351 1.00 0.00 WT1 O ATOM 9014 H1 TIP3 2089 77.814 84.566 -8.122 1.00 0.00 WT1 H ATOM 9015 H2 TIP3 2089 76.884 84.452 -6.933 1.00 0.00 WT1 H ATOM 9016 OH2 TIP3 2090 67.285 94.630 6.958 1.00 0.00 WT1 O ATOM 9017 H1 TIP3 2090 66.728 94.220 7.620 1.00 0.00 WT1 H ATOM 9018 H2 TIP3 2090 66.694 94.816 6.229 1.00 0.00 WT1 H ATOM 9019 OH2 TIP3 2091 43.206 34.030 7.177 1.00 0.00 WT1 O ATOM 9020 H1 TIP3 2091 42.534 33.439 7.515 1.00 0.00 WT1 H ATOM 9021 H2 TIP3 2091 43.772 34.206 7.928 1.00 0.00 WT1 H ATOM 9022 OH2 TIP3 2092 33.461 68.103 65.805 1.00 0.00 WT1 O ATOM 9023 H1 TIP3 2092 32.789 67.538 65.423 1.00 0.00 WT1 H ATOM 9024 H2 TIP3 2092 34.196 67.516 65.984 1.00 0.00 WT1 H ATOM 9025 OH2 TIP3 2093 62.861 53.122 26.342 1.00 0.00 WT1 O ATOM 9026 H1 TIP3 2093 62.221 53.710 25.943 1.00 0.00 WT1 H ATOM 9027 H2 TIP3 2093 62.419 52.777 27.118 1.00 0.00 WT1 H ATOM 9028 OH2 TIP3 2094 46.746 45.617 23.851 1.00 0.00 WT1 O ATOM 9029 H1 TIP3 2094 47.076 46.466 23.555 1.00 0.00 WT1 H ATOM 9030 H2 TIP3 2094 46.019 45.832 24.435 1.00 0.00 WT1 H ATOM 9031 OH2 TIP3 2095 29.976 27.816 -0.797 1.00 0.00 WT1 O ATOM 9032 H1 TIP3 2095 29.724 28.179 -1.646 1.00 0.00 WT1 H ATOM 9033 H2 TIP3 2095 30.541 28.484 -0.408 1.00 0.00 WT1 H ATOM 9034 OH2 TIP3 2096 75.942 61.133 39.401 1.00 0.00 WT1 O ATOM 9035 H1 TIP3 2096 75.396 61.588 40.042 1.00 0.00 WT1 H ATOM 9036 H2 TIP3 2096 75.380 60.440 39.056 1.00 0.00 WT1 H ATOM 9037 OH2 TIP3 2098 41.641 4.645 32.328 1.00 0.00 WT1 O ATOM 9038 H1 TIP3 2098 41.699 5.054 33.191 1.00 0.00 WT1 H ATOM 9039 H2 TIP3 2098 42.548 4.445 32.096 1.00 0.00 WT1 H ATOM 9040 OH2 TIP3 2100 27.005 13.746 39.501 1.00 0.00 WT1 O ATOM 9041 H1 TIP3 2100 26.908 13.793 38.550 1.00 0.00 WT1 H ATOM 9042 H2 TIP3 2100 27.121 12.813 39.684 1.00 0.00 WT1 H ATOM 9043 OH2 TIP3 2102 50.423 11.890 -6.071 1.00 0.00 WT1 O ATOM 9044 H1 TIP3 2102 50.633 12.160 -5.176 1.00 0.00 WT1 H ATOM 9045 H2 TIP3 2102 50.682 10.969 -6.110 1.00 0.00 WT1 H ATOM 9046 OH2 TIP3 2103 32.815 79.148 -13.197 1.00 0.00 WT1 O ATOM 9047 H1 TIP3 2103 33.752 78.971 -13.280 1.00 0.00 WT1 H ATOM 9048 H2 TIP3 2103 32.643 79.093 -12.257 1.00 0.00 WT1 H ATOM 9049 OH2 TIP3 2104 47.661 90.244 33.236 1.00 0.00 WT1 O ATOM 9050 H1 TIP3 2104 47.741 89.375 33.628 1.00 0.00 WT1 H ATOM 9051 H2 TIP3 2104 48.334 90.263 32.556 1.00 0.00 WT1 H ATOM 9052 OH2 TIP3 2105 36.049 10.130 -18.404 1.00 0.00 WT1 O ATOM 9053 H1 TIP3 2105 35.394 10.398 -17.760 1.00 0.00 WT1 H ATOM 9054 H2 TIP3 2105 35.692 9.331 -18.792 1.00 0.00 WT1 H ATOM 9055 OH2 TIP3 2106 76.984 17.418 8.578 1.00 0.00 WT1 O ATOM 9056 H1 TIP3 2106 76.043 17.253 8.525 1.00 0.00 WT1 H ATOM 9057 H2 TIP3 2106 77.377 16.749 8.016 1.00 0.00 WT1 H ATOM 9058 OH2 TIP3 2107 75.556 17.243 -8.135 1.00 0.00 WT1 O ATOM 9059 H1 TIP3 2107 75.130 17.037 -7.302 1.00 0.00 WT1 H ATOM 9060 H2 TIP3 2107 74.983 16.860 -8.799 1.00 0.00 WT1 H ATOM 9061 OH2 TIP3 2108 54.524 51.868 -11.325 1.00 0.00 WT1 O ATOM 9062 H1 TIP3 2108 54.571 51.880 -10.369 1.00 0.00 WT1 H ATOM 9063 H2 TIP3 2108 54.813 50.989 -11.569 1.00 0.00 WT1 H ATOM 9064 OH2 TIP3 2109 30.586 79.266 16.183 1.00 0.00 WT1 O ATOM 9065 H1 TIP3 2109 30.621 78.666 15.438 1.00 0.00 WT1 H ATOM 9066 H2 TIP3 2109 30.225 78.741 16.897 1.00 0.00 WT1 H ATOM 9067 OH2 TIP3 2110 29.349 33.855 16.700 1.00 0.00 WT1 O ATOM 9068 H1 TIP3 2110 29.672 34.739 16.529 1.00 0.00 WT1 H ATOM 9069 H2 TIP3 2110 29.878 33.543 17.434 1.00 0.00 WT1 H ATOM 9070 OH2 TIP3 2112 51.818 57.198 -16.542 1.00 0.00 WT1 O ATOM 9071 H1 TIP3 2112 51.721 56.755 -17.385 1.00 0.00 WT1 H ATOM 9072 H2 TIP3 2112 52.043 58.100 -16.770 1.00 0.00 WT1 H ATOM 9073 OH2 TIP3 2113 48.696 2.560 58.767 1.00 0.00 WT1 O ATOM 9074 H1 TIP3 2113 48.905 3.281 59.361 1.00 0.00 WT1 H ATOM 9075 H2 TIP3 2113 47.905 2.167 59.136 1.00 0.00 WT1 H ATOM 9076 OH2 TIP3 2114 77.761 57.571 -10.347 1.00 0.00 WT1 O ATOM 9077 H1 TIP3 2114 77.721 58.301 -10.965 1.00 0.00 WT1 H ATOM 9078 H2 TIP3 2114 78.610 57.161 -10.515 1.00 0.00 WT1 H ATOM 9079 OH2 TIP3 2115 42.975 52.323 12.614 1.00 0.00 WT1 O ATOM 9080 H1 TIP3 2115 42.492 52.739 13.329 1.00 0.00 WT1 H ATOM 9081 H2 TIP3 2115 43.581 52.998 12.309 1.00 0.00 WT1 H ATOM 9082 OH2 TIP3 2116 70.414 82.267 53.275 1.00 0.00 WT1 O ATOM 9083 H1 TIP3 2116 71.271 82.491 52.912 1.00 0.00 WT1 H ATOM 9084 H2 TIP3 2116 70.217 82.979 53.883 1.00 0.00 WT1 H ATOM 9085 OH2 TIP3 2117 32.443 56.994 -5.300 1.00 0.00 WT1 O ATOM 9086 H1 TIP3 2117 33.030 56.755 -4.583 1.00 0.00 WT1 H ATOM 9087 H2 TIP3 2117 31.763 56.320 -5.289 1.00 0.00 WT1 H ATOM 9088 OH2 TIP3 2118 68.901 38.649 19.604 1.00 0.00 WT1 O ATOM 9089 H1 TIP3 2118 68.416 38.027 19.061 1.00 0.00 WT1 H ATOM 9090 H2 TIP3 2118 69.249 39.288 18.984 1.00 0.00 WT1 H ATOM 9091 OH2 TIP3 2119 85.754 94.400 38.518 1.00 0.00 WT1 O ATOM 9092 H1 TIP3 2119 86.309 94.304 39.291 1.00 0.00 WT1 H ATOM 9093 H2 TIP3 2119 86.349 94.279 37.778 1.00 0.00 WT1 H ATOM 9094 OH2 TIP3 2120 76.132 66.060 4.500 1.00 0.00 WT1 O ATOM 9095 H1 TIP3 2120 75.238 65.875 4.212 1.00 0.00 WT1 H ATOM 9096 H2 TIP3 2120 76.073 66.098 5.454 1.00 0.00 WT1 H ATOM 9097 OH2 TIP3 2121 42.016 87.297 8.835 1.00 0.00 WT1 O ATOM 9098 H1 TIP3 2121 41.925 88.141 8.393 1.00 0.00 WT1 H ATOM 9099 H2 TIP3 2121 42.109 86.662 8.125 1.00 0.00 WT1 H ATOM 9100 OH2 TIP3 2122 61.017 79.880 -5.536 1.00 0.00 WT1 O ATOM 9101 H1 TIP3 2122 61.875 80.272 -5.697 1.00 0.00 WT1 H ATOM 9102 H2 TIP3 2122 61.072 79.537 -4.645 1.00 0.00 WT1 H ATOM 9103 OH2 TIP3 2123 48.860 85.684 25.675 1.00 0.00 WT1 O ATOM 9104 H1 TIP3 2123 49.420 84.928 25.501 1.00 0.00 WT1 H ATOM 9105 H2 TIP3 2123 47.978 85.387 25.449 1.00 0.00 WT1 H ATOM 9106 OH2 TIP3 2124 35.754 94.709 59.477 1.00 0.00 WT1 O ATOM 9107 H1 TIP3 2124 35.821 93.870 59.021 1.00 0.00 WT1 H ATOM 9108 H2 TIP3 2124 35.898 94.493 60.398 1.00 0.00 WT1 H ATOM 9109 OH2 TIP3 2125 63.549 88.289 15.184 1.00 0.00 WT1 O ATOM 9110 H1 TIP3 2125 63.567 87.898 16.057 1.00 0.00 WT1 H ATOM 9111 H2 TIP3 2125 63.207 87.596 14.618 1.00 0.00 WT1 H ATOM 9112 OH2 TIP3 2126 84.058 27.683 46.051 1.00 0.00 WT1 O ATOM 9113 H1 TIP3 2126 84.573 27.321 45.330 1.00 0.00 WT1 H ATOM 9114 H2 TIP3 2126 83.493 28.336 45.638 1.00 0.00 WT1 H ATOM 9115 OH2 TIP3 2127 54.762 91.868 11.845 1.00 0.00 WT1 O ATOM 9116 H1 TIP3 2127 53.932 91.430 12.036 1.00 0.00 WT1 H ATOM 9117 H2 TIP3 2127 54.904 91.715 10.911 1.00 0.00 WT1 H ATOM 9118 OH2 TIP3 2128 41.125 81.109 58.494 1.00 0.00 WT1 O ATOM 9119 H1 TIP3 2128 41.390 81.999 58.726 1.00 0.00 WT1 H ATOM 9120 H2 TIP3 2128 41.320 81.036 57.560 1.00 0.00 WT1 H ATOM 9121 OH2 TIP3 2129 36.933 33.387 55.280 1.00 0.00 WT1 O ATOM 9122 H1 TIP3 2129 36.026 33.225 55.540 1.00 0.00 WT1 H ATOM 9123 H2 TIP3 2129 37.373 32.546 55.405 1.00 0.00 WT1 H ATOM 9124 OH2 TIP3 2130 73.424 55.598 54.179 1.00 0.00 WT1 O ATOM 9125 H1 TIP3 2130 72.782 56.299 54.068 1.00 0.00 WT1 H ATOM 9126 H2 TIP3 2130 73.776 55.454 53.300 1.00 0.00 WT1 H ATOM 9127 OH2 TIP3 2131 29.542 54.877 -2.203 1.00 0.00 WT1 O ATOM 9128 H1 TIP3 2131 29.524 55.679 -2.725 1.00 0.00 WT1 H ATOM 9129 H2 TIP3 2131 29.572 55.181 -1.296 1.00 0.00 WT1 H ATOM 9130 OH2 TIP3 2132 60.771 48.402 -5.878 1.00 0.00 WT1 O ATOM 9131 H1 TIP3 2132 60.188 49.148 -5.735 1.00 0.00 WT1 H ATOM 9132 H2 TIP3 2132 60.645 47.848 -5.107 1.00 0.00 WT1 H ATOM 9133 OH2 TIP3 2133 20.560 6.964 31.282 1.00 0.00 WT1 O ATOM 9134 H1 TIP3 2133 21.133 7.718 31.421 1.00 0.00 WT1 H ATOM 9135 H2 TIP3 2133 20.317 7.015 30.357 1.00 0.00 WT1 H ATOM 9136 OH2 TIP3 2134 20.273 51.364 24.022 1.00 0.00 WT1 O ATOM 9137 H1 TIP3 2134 19.599 51.888 23.588 1.00 0.00 WT1 H ATOM 9138 H2 TIP3 2134 21.078 51.564 23.544 1.00 0.00 WT1 H ATOM 9139 OH2 TIP3 2135 24.761 44.958 2.939 1.00 0.00 WT1 O ATOM 9140 H1 TIP3 2135 25.131 45.217 3.783 1.00 0.00 WT1 H ATOM 9141 H2 TIP3 2135 24.073 45.602 2.771 1.00 0.00 WT1 H ATOM 9142 OH2 TIP3 2136 28.508 64.566 66.113 1.00 0.00 WT1 O ATOM 9143 H1 TIP3 2136 28.057 63.992 66.732 1.00 0.00 WT1 H ATOM 9144 H2 TIP3 2136 29.059 65.123 66.663 1.00 0.00 WT1 H ATOM 9145 OH2 TIP3 2137 27.055 27.832 -9.415 1.00 0.00 WT1 O ATOM 9146 H1 TIP3 2137 27.955 27.725 -9.724 1.00 0.00 WT1 H ATOM 9147 H2 TIP3 2137 27.099 28.563 -8.798 1.00 0.00 WT1 H ATOM 9148 OH2 TIP3 2138 89.876 17.874 7.095 1.00 0.00 WT1 O ATOM 9149 H1 TIP3 2138 90.186 18.431 7.809 1.00 0.00 WT1 H ATOM 9150 H2 TIP3 2138 88.930 17.813 7.231 1.00 0.00 WT1 H ATOM 9151 OH2 TIP3 2139 26.086 35.535 59.383 1.00 0.00 WT1 O ATOM 9152 H1 TIP3 2139 25.445 35.753 58.707 1.00 0.00 WT1 H ATOM 9153 H2 TIP3 2139 26.708 34.954 58.946 1.00 0.00 WT1 H ATOM 9154 OH2 TIP3 2140 33.315 44.432 33.692 1.00 0.00 WT1 O ATOM 9155 H1 TIP3 2140 34.088 44.032 33.294 1.00 0.00 WT1 H ATOM 9156 H2 TIP3 2140 32.633 44.349 33.026 1.00 0.00 WT1 H ATOM 9157 OH2 TIP3 2141 32.699 12.687 -18.751 1.00 0.00 WT1 O ATOM 9158 H1 TIP3 2141 32.742 13.307 -19.479 1.00 0.00 WT1 H ATOM 9159 H2 TIP3 2141 32.337 13.193 -18.025 1.00 0.00 WT1 H ATOM 9160 OH2 TIP3 2143 39.642 27.309 -9.917 1.00 0.00 WT1 O ATOM 9161 H1 TIP3 2143 40.418 27.183 -10.463 1.00 0.00 WT1 H ATOM 9162 H2 TIP3 2143 39.286 26.429 -9.800 1.00 0.00 WT1 H ATOM 9163 OH2 TIP3 2144 30.775 94.248 10.177 1.00 0.00 WT1 O ATOM 9164 H1 TIP3 2144 30.024 93.731 10.470 1.00 0.00 WT1 H ATOM 9165 H2 TIP3 2144 30.500 95.157 10.292 1.00 0.00 WT1 H ATOM 9166 OH2 TIP3 2145 80.747 92.811 56.914 1.00 0.00 WT1 O ATOM 9167 H1 TIP3 2145 81.700 92.830 56.994 1.00 0.00 WT1 H ATOM 9168 H2 TIP3 2145 80.569 93.226 56.070 1.00 0.00 WT1 H ATOM 9169 OH2 TIP3 2146 88.779 66.691 -6.564 1.00 0.00 WT1 O ATOM 9170 H1 TIP3 2146 88.224 67.215 -7.141 1.00 0.00 WT1 H ATOM 9171 H2 TIP3 2146 88.263 66.586 -5.764 1.00 0.00 WT1 H ATOM 9172 OH2 TIP3 2147 85.531 59.676 60.754 1.00 0.00 WT1 O ATOM 9173 H1 TIP3 2147 86.288 60.112 60.364 1.00 0.00 WT1 H ATOM 9174 H2 TIP3 2147 85.349 60.176 61.550 1.00 0.00 WT1 H ATOM 9175 OH2 TIP3 2148 48.861 8.923 29.285 1.00 0.00 WT1 O ATOM 9176 H1 TIP3 2148 49.057 8.150 28.757 1.00 0.00 WT1 H ATOM 9177 H2 TIP3 2148 49.595 9.516 29.125 1.00 0.00 WT1 H ATOM 9178 OH2 TIP3 2149 60.876 93.571 0.472 1.00 0.00 WT1 O ATOM 9179 H1 TIP3 2149 61.079 92.711 0.104 1.00 0.00 WT1 H ATOM 9180 H2 TIP3 2149 60.095 93.858 -0.002 1.00 0.00 WT1 H ATOM 9181 OH2 TIP3 2150 40.233 65.933 11.781 1.00 0.00 WT1 O ATOM 9182 H1 TIP3 2150 39.992 65.007 11.793 1.00 0.00 WT1 H ATOM 9183 H2 TIP3 2150 41.100 65.951 11.376 1.00 0.00 WT1 H ATOM 9184 OH2 TIP3 2151 26.895 69.185 36.698 1.00 0.00 WT1 O ATOM 9185 H1 TIP3 2151 27.289 69.391 35.851 1.00 0.00 WT1 H ATOM 9186 H2 TIP3 2151 27.638 69.099 37.295 1.00 0.00 WT1 H ATOM 9187 OH2 TIP3 2152 47.411 60.282 -4.198 1.00 0.00 WT1 O ATOM 9188 H1 TIP3 2152 46.871 60.520 -3.444 1.00 0.00 WT1 H ATOM 9189 H2 TIP3 2152 47.394 59.325 -4.214 1.00 0.00 WT1 H ATOM 9190 OH2 TIP3 2153 40.091 32.566 29.035 1.00 0.00 WT1 O ATOM 9191 H1 TIP3 2153 40.259 33.382 29.505 1.00 0.00 WT1 H ATOM 9192 H2 TIP3 2153 39.318 32.197 29.464 1.00 0.00 WT1 H ATOM 9193 OH2 TIP3 2154 43.367 51.255 6.891 1.00 0.00 WT1 O ATOM 9194 H1 TIP3 2154 43.189 50.609 7.574 1.00 0.00 WT1 H ATOM 9195 H2 TIP3 2154 44.104 51.764 7.228 1.00 0.00 WT1 H ATOM 9196 OH2 TIP3 2155 48.371 0.179 18.891 1.00 0.00 WT1 O ATOM 9197 H1 TIP3 2155 47.520 -0.073 18.530 1.00 0.00 WT1 H ATOM 9198 H2 TIP3 2155 48.913 0.361 18.123 1.00 0.00 WT1 H ATOM 9199 OH2 TIP3 2156 54.781 39.166 21.528 1.00 0.00 WT1 O ATOM 9200 H1 TIP3 2156 54.896 39.764 22.267 1.00 0.00 WT1 H ATOM 9201 H2 TIP3 2156 55.671 38.965 21.242 1.00 0.00 WT1 H ATOM 9202 OH2 TIP3 2157 29.720 49.889 54.199 1.00 0.00 WT1 O ATOM 9203 H1 TIP3 2157 28.767 49.902 54.293 1.00 0.00 WT1 H ATOM 9204 H2 TIP3 2157 29.952 48.961 54.234 1.00 0.00 WT1 H ATOM 9205 OH2 TIP3 2158 34.254 72.597 -11.461 1.00 0.00 WT1 O ATOM 9206 H1 TIP3 2158 33.450 72.083 -11.534 1.00 0.00 WT1 H ATOM 9207 H2 TIP3 2158 34.945 72.005 -11.758 1.00 0.00 WT1 H ATOM 9208 OH2 TIP3 2160 67.080 69.455 33.714 1.00 0.00 WT1 O ATOM 9209 H1 TIP3 2160 66.444 70.140 33.508 1.00 0.00 WT1 H ATOM 9210 H2 TIP3 2160 66.550 68.719 34.019 1.00 0.00 WT1 H ATOM 9211 OH2 TIP3 2161 82.971 36.756 38.366 1.00 0.00 WT1 O ATOM 9212 H1 TIP3 2161 82.618 36.023 37.861 1.00 0.00 WT1 H ATOM 9213 H2 TIP3 2161 82.648 36.611 39.256 1.00 0.00 WT1 H ATOM 9214 OH2 TIP3 2162 78.488 67.373 26.248 1.00 0.00 WT1 O ATOM 9215 H1 TIP3 2162 79.392 67.065 26.319 1.00 0.00 WT1 H ATOM 9216 H2 TIP3 2162 78.536 68.119 25.650 1.00 0.00 WT1 H ATOM 9217 OH2 TIP3 2163 37.503 77.707 13.362 1.00 0.00 WT1 O ATOM 9218 H1 TIP3 2163 38.329 77.682 13.844 1.00 0.00 WT1 H ATOM 9219 H2 TIP3 2163 36.863 77.322 13.962 1.00 0.00 WT1 H ATOM 9220 OH2 TIP3 2165 51.716 17.581 5.296 1.00 0.00 WT1 O ATOM 9221 H1 TIP3 2165 50.993 17.115 4.877 1.00 0.00 WT1 H ATOM 9222 H2 TIP3 2165 51.297 18.117 5.970 1.00 0.00 WT1 H ATOM 9223 OH2 TIP3 2166 26.160 51.831 30.119 1.00 0.00 WT1 O ATOM 9224 H1 TIP3 2166 25.784 51.265 29.444 1.00 0.00 WT1 H ATOM 9225 H2 TIP3 2166 25.896 52.715 29.865 1.00 0.00 WT1 H ATOM 9226 OH2 TIP3 2167 38.161 37.628 58.757 1.00 0.00 WT1 O ATOM 9227 H1 TIP3 2167 38.566 38.148 58.063 1.00 0.00 WT1 H ATOM 9228 H2 TIP3 2167 37.398 38.140 59.026 1.00 0.00 WT1 H ATOM 9229 OH2 TIP3 2168 48.103 16.055 -15.845 1.00 0.00 WT1 O ATOM 9230 H1 TIP3 2168 48.628 15.371 -16.260 1.00 0.00 WT1 H ATOM 9231 H2 TIP3 2168 48.495 16.874 -16.147 1.00 0.00 WT1 H ATOM 9232 OH2 TIP3 2169 27.407 44.405 8.177 1.00 0.00 WT1 O ATOM 9233 H1 TIP3 2169 26.855 43.635 8.040 1.00 0.00 WT1 H ATOM 9234 H2 TIP3 2169 27.482 44.481 9.128 1.00 0.00 WT1 H ATOM 9235 OH2 TIP3 2170 69.710 71.877 2.832 1.00 0.00 WT1 O ATOM 9236 H1 TIP3 2170 69.060 71.651 3.497 1.00 0.00 WT1 H ATOM 9237 H2 TIP3 2170 69.195 72.059 2.046 1.00 0.00 WT1 H ATOM 9238 OH2 TIP3 2171 50.368 85.370 36.740 1.00 0.00 WT1 O ATOM 9239 H1 TIP3 2171 50.022 85.568 37.610 1.00 0.00 WT1 H ATOM 9240 H2 TIP3 2171 51.309 85.528 36.815 1.00 0.00 WT1 H ATOM 9241 OH2 TIP3 2172 69.928 72.167 36.405 1.00 0.00 WT1 O ATOM 9242 H1 TIP3 2172 69.151 71.661 36.167 1.00 0.00 WT1 H ATOM 9243 H2 TIP3 2172 69.612 73.066 36.493 1.00 0.00 WT1 H ATOM 9244 OH2 TIP3 2173 60.909 86.292 10.485 1.00 0.00 WT1 O ATOM 9245 H1 TIP3 2173 60.405 85.816 11.145 1.00 0.00 WT1 H ATOM 9246 H2 TIP3 2173 61.814 86.014 10.628 1.00 0.00 WT1 H ATOM 9247 OH2 TIP3 2176 41.917 56.543 -17.868 1.00 0.00 WT1 O ATOM 9248 H1 TIP3 2176 42.834 56.774 -17.724 1.00 0.00 WT1 H ATOM 9249 H2 TIP3 2176 41.826 56.503 -18.821 1.00 0.00 WT1 H ATOM 9250 OH2 TIP3 2177 20.644 40.638 12.445 1.00 0.00 WT1 O ATOM 9251 H1 TIP3 2177 20.776 41.499 12.842 1.00 0.00 WT1 H ATOM 9252 H2 TIP3 2177 20.449 40.825 11.526 1.00 0.00 WT1 H ATOM 9253 OH2 TIP3 2178 27.256 42.016 35.437 1.00 0.00 WT1 O ATOM 9254 H1 TIP3 2178 27.925 42.114 34.760 1.00 0.00 WT1 H ATOM 9255 H2 TIP3 2178 26.454 42.350 35.033 1.00 0.00 WT1 H ATOM 9256 OH2 TIP3 2180 65.157 36.425 48.838 1.00 0.00 WT1 O ATOM 9257 H1 TIP3 2180 65.308 36.613 47.911 1.00 0.00 WT1 H ATOM 9258 H2 TIP3 2180 64.354 35.904 48.849 1.00 0.00 WT1 H ATOM 9259 OH2 TIP3 2181 22.712 35.626 48.266 1.00 0.00 WT1 O ATOM 9260 H1 TIP3 2181 23.226 36.099 47.612 1.00 0.00 WT1 H ATOM 9261 H2 TIP3 2181 22.738 36.186 49.042 1.00 0.00 WT1 H ATOM 9262 OH2 TIP3 2182 84.031 62.038 41.541 1.00 0.00 WT1 O ATOM 9263 H1 TIP3 2182 83.978 61.137 41.860 1.00 0.00 WT1 H ATOM 9264 H2 TIP3 2182 84.189 61.951 40.601 1.00 0.00 WT1 H ATOM 9265 OH2 TIP3 2183 88.443 62.307 42.818 1.00 0.00 WT1 O ATOM 9266 H1 TIP3 2183 89.079 62.083 42.139 1.00 0.00 WT1 H ATOM 9267 H2 TIP3 2183 87.723 61.690 42.685 1.00 0.00 WT1 H ATOM 9268 OH2 TIP3 2184 35.643 74.363 12.578 1.00 0.00 WT1 O ATOM 9269 H1 TIP3 2184 34.985 75.014 12.332 1.00 0.00 WT1 H ATOM 9270 H2 TIP3 2184 36.471 74.732 12.272 1.00 0.00 WT1 H ATOM 9271 OH2 TIP3 2185 56.456 86.412 21.546 1.00 0.00 WT1 O ATOM 9272 H1 TIP3 2185 56.104 87.040 20.914 1.00 0.00 WT1 H ATOM 9273 H2 TIP3 2185 57.220 86.035 21.109 1.00 0.00 WT1 H ATOM 9274 OH2 TIP3 2186 34.931 4.970 60.213 1.00 0.00 WT1 O ATOM 9275 H1 TIP3 2186 35.033 5.256 61.120 1.00 0.00 WT1 H ATOM 9276 H2 TIP3 2186 34.989 5.775 59.699 1.00 0.00 WT1 H ATOM 9277 OH2 TIP3 2187 40.265 77.595 -8.650 1.00 0.00 WT1 O ATOM 9278 H1 TIP3 2187 40.783 76.927 -8.200 1.00 0.00 WT1 H ATOM 9279 H2 TIP3 2187 39.754 78.010 -7.955 1.00 0.00 WT1 H ATOM 9280 OH2 TIP3 2188 38.651 24.927 -6.804 1.00 0.00 WT1 O ATOM 9281 H1 TIP3 2188 38.832 24.801 -5.873 1.00 0.00 WT1 H ATOM 9282 H2 TIP3 2188 38.722 25.873 -6.936 1.00 0.00 WT1 H ATOM 9283 OH2 TIP3 2189 64.554 6.516 3.573 1.00 0.00 WT1 O ATOM 9284 H1 TIP3 2189 64.215 7.334 3.209 1.00 0.00 WT1 H ATOM 9285 H2 TIP3 2189 63.930 5.849 3.286 1.00 0.00 WT1 H ATOM 9286 OH2 TIP3 2190 57.018 45.136 -7.397 1.00 0.00 WT1 O ATOM 9287 H1 TIP3 2190 56.818 45.774 -6.712 1.00 0.00 WT1 H ATOM 9288 H2 TIP3 2190 56.733 44.297 -7.034 1.00 0.00 WT1 H ATOM 9289 OH2 TIP3 2191 79.000 43.432 45.314 1.00 0.00 WT1 O ATOM 9290 H1 TIP3 2191 78.565 42.703 45.755 1.00 0.00 WT1 H ATOM 9291 H2 TIP3 2191 78.284 43.957 44.955 1.00 0.00 WT1 H ATOM 9292 OH2 TIP3 2192 69.085 39.363 55.956 1.00 0.00 WT1 O ATOM 9293 H1 TIP3 2192 69.492 40.225 56.034 1.00 0.00 WT1 H ATOM 9294 H2 TIP3 2192 69.327 39.061 55.080 1.00 0.00 WT1 H ATOM 9295 OH2 TIP3 2193 23.432 33.280 39.202 1.00 0.00 WT1 O ATOM 9296 H1 TIP3 2193 23.869 32.444 39.041 1.00 0.00 WT1 H ATOM 9297 H2 TIP3 2193 22.595 33.207 38.742 1.00 0.00 WT1 H ATOM 9298 OH2 TIP3 2194 56.756 22.154 0.741 1.00 0.00 WT1 O ATOM 9299 H1 TIP3 2194 55.967 22.552 1.110 1.00 0.00 WT1 H ATOM 9300 H2 TIP3 2194 57.285 21.920 1.503 1.00 0.00 WT1 H ATOM 9301 OH2 TIP3 2195 51.806 17.967 15.227 1.00 0.00 WT1 O ATOM 9302 H1 TIP3 2195 50.938 18.036 15.625 1.00 0.00 WT1 H ATOM 9303 H2 TIP3 2195 51.788 18.591 14.502 1.00 0.00 WT1 H ATOM 9304 OH2 TIP3 2196 77.858 45.298 -17.901 1.00 0.00 WT1 O ATOM 9305 H1 TIP3 2196 77.178 45.388 -18.569 1.00 0.00 WT1 H ATOM 9306 H2 TIP3 2196 77.418 45.515 -17.079 1.00 0.00 WT1 H ATOM 9307 OH2 TIP3 2197 65.688 42.278 42.864 1.00 0.00 WT1 O ATOM 9308 H1 TIP3 2197 65.894 43.206 42.979 1.00 0.00 WT1 H ATOM 9309 H2 TIP3 2197 65.141 42.058 43.618 1.00 0.00 WT1 H ATOM 9310 OH2 TIP3 2198 41.277 42.446 35.037 1.00 0.00 WT1 O ATOM 9311 H1 TIP3 2198 40.478 42.822 34.668 1.00 0.00 WT1 H ATOM 9312 H2 TIP3 2198 41.897 43.174 35.060 1.00 0.00 WT1 H ATOM 9313 OH2 TIP3 2199 34.849 40.062 -9.429 1.00 0.00 WT1 O ATOM 9314 H1 TIP3 2199 35.281 40.821 -9.820 1.00 0.00 WT1 H ATOM 9315 H2 TIP3 2199 34.106 40.429 -8.950 1.00 0.00 WT1 H ATOM 9316 OH2 TIP3 2200 40.503 7.734 1.344 1.00 0.00 WT1 O ATOM 9317 H1 TIP3 2200 40.986 8.241 1.996 1.00 0.00 WT1 H ATOM 9318 H2 TIP3 2200 40.938 7.933 0.515 1.00 0.00 WT1 H ATOM 9319 OH2 TIP3 2201 39.363 1.399 7.465 1.00 0.00 WT1 O ATOM 9320 H1 TIP3 2201 39.938 1.971 7.973 1.00 0.00 WT1 H ATOM 9321 H2 TIP3 2201 38.485 1.750 7.612 1.00 0.00 WT1 H ATOM 9322 OH2 TIP3 2202 30.182 2.308 0.209 1.00 0.00 WT1 O ATOM 9323 H1 TIP3 2202 30.406 2.659 -0.653 1.00 0.00 WT1 H ATOM 9324 H2 TIP3 2202 31.020 2.035 0.582 1.00 0.00 WT1 H ATOM 9325 OH2 TIP3 2203 84.179 83.634 10.920 1.00 0.00 WT1 O ATOM 9326 H1 TIP3 2203 85.044 83.731 10.523 1.00 0.00 WT1 H ATOM 9327 H2 TIP3 2203 84.064 84.428 11.443 1.00 0.00 WT1 H ATOM 9328 OH2 TIP3 2204 34.760 58.908 15.961 1.00 0.00 WT1 O ATOM 9329 H1 TIP3 2204 35.394 58.237 16.214 1.00 0.00 WT1 H ATOM 9330 H2 TIP3 2204 35.177 59.735 16.202 1.00 0.00 WT1 H ATOM 9331 OH2 TIP3 2205 21.605 15.146 -16.126 1.00 0.00 WT1 O ATOM 9332 H1 TIP3 2205 21.218 14.882 -15.291 1.00 0.00 WT1 H ATOM 9333 H2 TIP3 2205 21.564 16.102 -16.118 1.00 0.00 WT1 H ATOM 9334 OH2 TIP3 2206 35.624 89.478 58.834 1.00 0.00 WT1 O ATOM 9335 H1 TIP3 2206 36.342 89.089 58.336 1.00 0.00 WT1 H ATOM 9336 H2 TIP3 2206 34.834 89.086 58.463 1.00 0.00 WT1 H ATOM 9337 OH2 TIP3 2207 79.695 32.920 -1.615 1.00 0.00 WT1 O ATOM 9338 H1 TIP3 2207 79.676 33.510 -0.862 1.00 0.00 WT1 H ATOM 9339 H2 TIP3 2207 79.196 32.153 -1.332 1.00 0.00 WT1 H ATOM 9340 OH2 TIP3 2208 81.961 52.096 51.781 1.00 0.00 WT1 O ATOM 9341 H1 TIP3 2208 81.158 52.240 51.279 1.00 0.00 WT1 H ATOM 9342 H2 TIP3 2208 82.377 52.957 51.821 1.00 0.00 WT1 H ATOM 9343 OH2 TIP3 2209 20.234 65.637 52.104 1.00 0.00 WT1 O ATOM 9344 H1 TIP3 2209 19.868 65.741 51.226 1.00 0.00 WT1 H ATOM 9345 H2 TIP3 2209 20.961 65.025 51.991 1.00 0.00 WT1 H ATOM 9346 OH2 TIP3 2210 34.674 92.714 4.886 1.00 0.00 WT1 O ATOM 9347 H1 TIP3 2210 35.229 92.864 5.651 1.00 0.00 WT1 H ATOM 9348 H2 TIP3 2210 33.780 92.769 5.223 1.00 0.00 WT1 H ATOM 9349 OH2 TIP3 2211 82.695 9.315 6.584 1.00 0.00 WT1 O ATOM 9350 H1 TIP3 2211 83.224 8.915 5.894 1.00 0.00 WT1 H ATOM 9351 H2 TIP3 2211 83.233 10.035 6.913 1.00 0.00 WT1 H ATOM 9352 OH2 TIP3 2213 86.390 47.570 -6.085 1.00 0.00 WT1 O ATOM 9353 H1 TIP3 2213 85.853 48.074 -5.473 1.00 0.00 WT1 H ATOM 9354 H2 TIP3 2213 86.780 46.880 -5.550 1.00 0.00 WT1 H ATOM 9355 OH2 TIP3 2214 33.834 18.129 33.148 1.00 0.00 WT1 O ATOM 9356 H1 TIP3 2214 32.899 17.931 33.215 1.00 0.00 WT1 H ATOM 9357 H2 TIP3 2214 34.055 17.940 32.236 1.00 0.00 WT1 H ATOM 9358 OH2 TIP3 2215 90.312 25.764 -0.897 1.00 0.00 WT1 O ATOM 9359 H1 TIP3 2215 90.383 25.644 -1.844 1.00 0.00 WT1 H ATOM 9360 H2 TIP3 2215 91.217 25.847 -0.597 1.00 0.00 WT1 H ATOM 9361 OH2 TIP3 2216 37.782 62.193 9.994 1.00 0.00 WT1 O ATOM 9362 H1 TIP3 2216 38.418 62.455 10.661 1.00 0.00 WT1 H ATOM 9363 H2 TIP3 2216 38.108 61.354 9.668 1.00 0.00 WT1 H ATOM 9364 OH2 TIP3 2217 42.217 15.989 55.138 1.00 0.00 WT1 O ATOM 9365 H1 TIP3 2217 41.893 16.637 55.763 1.00 0.00 WT1 H ATOM 9366 H2 TIP3 2217 42.762 15.402 55.662 1.00 0.00 WT1 H ATOM 9367 OH2 TIP3 2218 56.362 93.584 -11.115 1.00 0.00 WT1 O ATOM 9368 H1 TIP3 2218 56.224 92.937 -10.423 1.00 0.00 WT1 H ATOM 9369 H2 TIP3 2218 56.001 93.175 -11.901 1.00 0.00 WT1 H ATOM 9370 OH2 TIP3 2219 52.850 17.903 27.751 1.00 0.00 WT1 O ATOM 9371 H1 TIP3 2219 52.269 17.142 27.731 1.00 0.00 WT1 H ATOM 9372 H2 TIP3 2219 52.527 18.470 27.052 1.00 0.00 WT1 H ATOM 9373 OH2 TIP3 2220 20.659 18.707 64.417 1.00 0.00 WT1 O ATOM 9374 H1 TIP3 2220 21.062 19.492 64.788 1.00 0.00 WT1 H ATOM 9375 H2 TIP3 2220 19.750 18.958 64.253 1.00 0.00 WT1 H ATOM 9376 OH2 TIP3 2221 24.281 74.614 38.776 1.00 0.00 WT1 O ATOM 9377 H1 TIP3 2221 23.984 74.358 37.903 1.00 0.00 WT1 H ATOM 9378 H2 TIP3 2221 24.165 73.827 39.309 1.00 0.00 WT1 H ATOM 9379 OH2 TIP3 2223 43.557 47.887 7.291 1.00 0.00 WT1 O ATOM 9380 H1 TIP3 2223 44.189 48.035 6.587 1.00 0.00 WT1 H ATOM 9381 H2 TIP3 2223 43.880 48.417 8.019 1.00 0.00 WT1 H ATOM 9382 OH2 TIP3 2224 28.825 1.407 28.396 1.00 0.00 WT1 O ATOM 9383 H1 TIP3 2224 29.444 0.910 27.862 1.00 0.00 WT1 H ATOM 9384 H2 TIP3 2224 29.307 1.607 29.199 1.00 0.00 WT1 H ATOM 9385 OH2 TIP3 2225 87.031 89.407 7.473 1.00 0.00 WT1 O ATOM 9386 H1 TIP3 2225 87.187 88.510 7.179 1.00 0.00 WT1 H ATOM 9387 H2 TIP3 2225 87.574 89.500 8.256 1.00 0.00 WT1 H ATOM 9388 OH2 TIP3 2226 48.868 7.287 37.682 1.00 0.00 WT1 O ATOM 9389 H1 TIP3 2226 49.538 7.918 37.943 1.00 0.00 WT1 H ATOM 9390 H2 TIP3 2226 49.359 6.501 37.443 1.00 0.00 WT1 H ATOM 9391 OH2 TIP3 2227 63.639 85.128 -11.335 1.00 0.00 WT1 O ATOM 9392 H1 TIP3 2227 64.137 85.144 -10.518 1.00 0.00 WT1 H ATOM 9393 H2 TIP3 2227 63.923 84.326 -11.774 1.00 0.00 WT1 H ATOM 9394 OH2 TIP3 2228 77.191 13.741 2.303 1.00 0.00 WT1 O ATOM 9395 H1 TIP3 2228 77.951 13.718 2.885 1.00 0.00 WT1 H ATOM 9396 H2 TIP3 2228 76.591 14.361 2.717 1.00 0.00 WT1 H ATOM 9397 OH2 TIP3 2229 75.870 85.027 7.375 1.00 0.00 WT1 O ATOM 9398 H1 TIP3 2229 75.942 85.110 6.424 1.00 0.00 WT1 H ATOM 9399 H2 TIP3 2229 76.756 85.191 7.698 1.00 0.00 WT1 H ATOM 9400 OH2 TIP3 2231 46.175 86.277 66.092 1.00 0.00 WT1 O ATOM 9401 H1 TIP3 2231 46.347 87.158 65.760 1.00 0.00 WT1 H ATOM 9402 H2 TIP3 2231 47.033 85.950 66.361 1.00 0.00 WT1 H ATOM 9403 OH2 TIP3 2232 39.641 12.984 51.697 1.00 0.00 WT1 O ATOM 9404 H1 TIP3 2232 40.140 13.435 51.015 1.00 0.00 WT1 H ATOM 9405 H2 TIP3 2232 39.982 13.340 52.518 1.00 0.00 WT1 H ATOM 9406 OH2 TIP3 2233 54.954 82.759 26.798 1.00 0.00 WT1 O ATOM 9407 H1 TIP3 2233 55.650 83.281 26.400 1.00 0.00 WT1 H ATOM 9408 H2 TIP3 2233 55.138 81.862 26.520 1.00 0.00 WT1 H ATOM 9409 OH2 TIP3 2234 81.219 7.423 -4.280 1.00 0.00 WT1 O ATOM 9410 H1 TIP3 2234 81.827 7.810 -4.910 1.00 0.00 WT1 H ATOM 9411 H2 TIP3 2234 81.238 6.486 -4.473 1.00 0.00 WT1 H ATOM 9412 OH2 TIP3 2235 84.606 92.567 44.349 1.00 0.00 WT1 O ATOM 9413 H1 TIP3 2235 84.885 93.176 45.033 1.00 0.00 WT1 H ATOM 9414 H2 TIP3 2235 83.659 92.694 44.286 1.00 0.00 WT1 H ATOM 9415 OH2 TIP3 2236 22.267 13.336 63.449 1.00 0.00 WT1 O ATOM 9416 H1 TIP3 2236 22.344 12.947 64.320 1.00 0.00 WT1 H ATOM 9417 H2 TIP3 2236 22.255 14.280 63.608 1.00 0.00 WT1 H ATOM 9418 OH2 TIP3 2237 59.442 4.813 -15.949 1.00 0.00 WT1 O ATOM 9419 H1 TIP3 2237 59.856 4.093 -15.473 1.00 0.00 WT1 H ATOM 9420 H2 TIP3 2237 60.086 5.065 -16.611 1.00 0.00 WT1 H ATOM 9421 OH2 TIP3 2238 33.999 2.745 58.621 1.00 0.00 WT1 O ATOM 9422 H1 TIP3 2238 33.091 2.972 58.821 1.00 0.00 WT1 H ATOM 9423 H2 TIP3 2238 34.517 3.420 59.058 1.00 0.00 WT1 H ATOM 9424 OH2 TIP3 2240 68.892 71.857 -7.205 1.00 0.00 WT1 O ATOM 9425 H1 TIP3 2240 68.035 71.551 -7.502 1.00 0.00 WT1 H ATOM 9426 H2 TIP3 2240 69.262 71.113 -6.730 1.00 0.00 WT1 H ATOM 9427 OH2 TIP3 2241 87.323 80.007 33.909 1.00 0.00 WT1 O ATOM 9428 H1 TIP3 2241 88.043 79.382 33.816 1.00 0.00 WT1 H ATOM 9429 H2 TIP3 2241 86.640 79.672 33.328 1.00 0.00 WT1 H ATOM 9430 OH2 TIP3 2242 67.603 37.469 8.705 1.00 0.00 WT1 O ATOM 9431 H1 TIP3 2242 66.901 37.978 9.111 1.00 0.00 WT1 H ATOM 9432 H2 TIP3 2242 67.295 37.303 7.815 1.00 0.00 WT1 H ATOM 9433 OH2 TIP3 2243 40.182 1.496 62.364 1.00 0.00 WT1 O ATOM 9434 H1 TIP3 2243 40.336 0.901 61.630 1.00 0.00 WT1 H ATOM 9435 H2 TIP3 2243 39.337 1.223 62.722 1.00 0.00 WT1 H ATOM 9436 OH2 TIP3 2244 87.228 4.731 6.876 1.00 0.00 WT1 O ATOM 9437 H1 TIP3 2244 87.839 5.437 7.088 1.00 0.00 WT1 H ATOM 9438 H2 TIP3 2244 86.364 5.094 7.071 1.00 0.00 WT1 H ATOM 9439 OH2 TIP3 2245 54.185 13.572 -19.028 1.00 0.00 WT1 O ATOM 9440 H1 TIP3 2245 54.595 13.992 -19.784 1.00 0.00 WT1 H ATOM 9441 H2 TIP3 2245 53.440 13.096 -19.393 1.00 0.00 WT1 H ATOM 9442 OH2 TIP3 2246 34.446 46.633 40.677 1.00 0.00 WT1 O ATOM 9443 H1 TIP3 2246 35.041 46.659 41.427 1.00 0.00 WT1 H ATOM 9444 H2 TIP3 2246 33.646 46.235 41.019 1.00 0.00 WT1 H ATOM 9445 OH2 TIP3 2247 62.802 75.015 -1.929 1.00 0.00 WT1 O ATOM 9446 H1 TIP3 2247 62.948 75.046 -0.983 1.00 0.00 WT1 H ATOM 9447 H2 TIP3 2247 61.865 75.179 -2.033 1.00 0.00 WT1 H ATOM 9448 OH2 TIP3 2248 87.632 91.413 0.010 1.00 0.00 WT1 O ATOM 9449 H1 TIP3 2248 86.786 91.022 0.230 1.00 0.00 WT1 H ATOM 9450 H2 TIP3 2248 88.263 90.704 0.135 1.00 0.00 WT1 H ATOM 9451 OH2 TIP3 2249 50.189 80.902 -19.328 1.00 0.00 WT1 O ATOM 9452 H1 TIP3 2249 49.831 80.471 -18.552 1.00 0.00 WT1 H ATOM 9453 H2 TIP3 2249 49.474 81.451 -19.650 1.00 0.00 WT1 H ATOM 9454 OH2 TIP3 2250 61.257 74.947 -15.487 1.00 0.00 WT1 O ATOM 9455 H1 TIP3 2250 61.511 75.015 -14.566 1.00 0.00 WT1 H ATOM 9456 H2 TIP3 2250 60.446 74.438 -15.475 1.00 0.00 WT1 H ATOM 9457 OH2 TIP3 2251 27.190 5.490 30.409 1.00 0.00 WT1 O ATOM 9458 H1 TIP3 2251 26.689 5.027 29.738 1.00 0.00 WT1 H ATOM 9459 H2 TIP3 2251 27.843 5.989 29.919 1.00 0.00 WT1 H ATOM 9460 OH2 TIP3 2252 35.065 34.741 65.851 1.00 0.00 WT1 O ATOM 9461 H1 TIP3 2252 35.151 34.107 65.139 1.00 0.00 WT1 H ATOM 9462 H2 TIP3 2252 34.257 34.492 66.299 1.00 0.00 WT1 H ATOM 9463 OH2 TIP3 2253 59.456 55.147 25.793 1.00 0.00 WT1 O ATOM 9464 H1 TIP3 2253 58.731 55.324 26.392 1.00 0.00 WT1 H ATOM 9465 H2 TIP3 2253 59.057 55.156 24.924 1.00 0.00 WT1 H ATOM 9466 OH2 TIP3 2254 87.545 96.231 61.100 1.00 0.00 WT1 O ATOM 9467 H1 TIP3 2254 88.093 96.811 61.630 1.00 0.00 WT1 H ATOM 9468 H2 TIP3 2254 87.946 95.368 61.196 1.00 0.00 WT1 H ATOM 9469 OH2 TIP3 2255 44.443 39.492 -0.753 1.00 0.00 WT1 O ATOM 9470 H1 TIP3 2255 44.524 39.449 0.200 1.00 0.00 WT1 H ATOM 9471 H2 TIP3 2255 45.019 40.212 -1.010 1.00 0.00 WT1 H ATOM 9472 OH2 TIP3 2256 86.733 77.914 54.298 1.00 0.00 WT1 O ATOM 9473 H1 TIP3 2256 86.405 78.775 54.038 1.00 0.00 WT1 H ATOM 9474 H2 TIP3 2256 86.946 78.009 55.227 1.00 0.00 WT1 H ATOM 9475 OH2 TIP3 2257 45.970 78.363 -1.688 1.00 0.00 WT1 O ATOM 9476 H1 TIP3 2257 46.328 79.218 -1.448 1.00 0.00 WT1 H ATOM 9477 H2 TIP3 2257 46.727 77.778 -1.692 1.00 0.00 WT1 H ATOM 9478 OH2 TIP3 2258 66.170 67.779 -9.055 1.00 0.00 WT1 O ATOM 9479 H1 TIP3 2258 65.479 67.156 -8.827 1.00 0.00 WT1 H ATOM 9480 H2 TIP3 2258 66.727 67.304 -9.672 1.00 0.00 WT1 H ATOM 9481 OH2 TIP3 2259 25.316 89.350 37.895 1.00 0.00 WT1 O ATOM 9482 H1 TIP3 2259 25.945 90.069 37.824 1.00 0.00 WT1 H ATOM 9483 H2 TIP3 2259 25.838 88.560 37.757 1.00 0.00 WT1 H ATOM 9484 OH2 TIP3 2260 28.500 42.065 3.177 1.00 0.00 WT1 O ATOM 9485 H1 TIP3 2260 28.721 41.758 2.297 1.00 0.00 WT1 H ATOM 9486 H2 TIP3 2260 28.271 42.987 3.059 1.00 0.00 WT1 H ATOM 9487 OH2 TIP3 2261 54.925 75.722 35.844 1.00 0.00 WT1 O ATOM 9488 H1 TIP3 2261 54.784 74.829 35.530 1.00 0.00 WT1 H ATOM 9489 H2 TIP3 2261 54.059 76.127 35.814 1.00 0.00 WT1 H ATOM 9490 OH2 TIP3 2263 64.793 19.268 46.400 1.00 0.00 WT1 O ATOM 9491 H1 TIP3 2263 65.141 19.986 46.928 1.00 0.00 WT1 H ATOM 9492 H2 TIP3 2263 64.996 19.513 45.497 1.00 0.00 WT1 H ATOM 9493 OH2 TIP3 2264 70.239 70.268 45.984 1.00 0.00 WT1 O ATOM 9494 H1 TIP3 2264 70.477 71.136 45.660 1.00 0.00 WT1 H ATOM 9495 H2 TIP3 2264 71.066 69.888 46.282 1.00 0.00 WT1 H ATOM 9496 OH2 TIP3 2265 64.389 9.487 -11.301 1.00 0.00 WT1 O ATOM 9497 H1 TIP3 2265 64.120 10.028 -10.559 1.00 0.00 WT1 H ATOM 9498 H2 TIP3 2265 63.767 8.760 -11.306 1.00 0.00 WT1 H ATOM 9499 OH2 TIP3 2266 39.400 92.225 -13.376 1.00 0.00 WT1 O ATOM 9500 H1 TIP3 2266 40.232 92.066 -13.820 1.00 0.00 WT1 H ATOM 9501 H2 TIP3 2266 38.804 91.571 -13.741 1.00 0.00 WT1 H ATOM 9502 OH2 TIP3 2267 28.843 69.357 34.218 1.00 0.00 WT1 O ATOM 9503 H1 TIP3 2267 29.351 69.645 33.460 1.00 0.00 WT1 H ATOM 9504 H2 TIP3 2267 29.327 69.692 34.973 1.00 0.00 WT1 H ATOM 9505 OH2 TIP3 2268 80.263 50.970 47.912 1.00 0.00 WT1 O ATOM 9506 H1 TIP3 2268 80.093 51.752 47.386 1.00 0.00 WT1 H ATOM 9507 H2 TIP3 2268 80.890 50.465 47.395 1.00 0.00 WT1 H ATOM 9508 OH2 TIP3 2269 77.976 18.375 36.605 1.00 0.00 WT1 O ATOM 9509 H1 TIP3 2269 78.912 18.547 36.712 1.00 0.00 WT1 H ATOM 9510 H2 TIP3 2269 77.822 17.572 37.102 1.00 0.00 WT1 H ATOM 9511 OH2 TIP3 2270 54.393 15.288 -13.827 1.00 0.00 WT1 O ATOM 9512 H1 TIP3 2270 54.104 16.161 -14.092 1.00 0.00 WT1 H ATOM 9513 H2 TIP3 2270 54.394 14.779 -14.638 1.00 0.00 WT1 H ATOM 9514 OH2 TIP3 2271 62.034 0.386 50.830 1.00 0.00 WT1 O ATOM 9515 H1 TIP3 2271 62.227 0.897 51.616 1.00 0.00 WT1 H ATOM 9516 H2 TIP3 2271 62.336 0.935 50.107 1.00 0.00 WT1 H ATOM 9517 OH2 TIP3 2272 63.410 38.458 31.669 1.00 0.00 WT1 O ATOM 9518 H1 TIP3 2272 64.083 39.139 31.692 1.00 0.00 WT1 H ATOM 9519 H2 TIP3 2272 62.619 38.892 31.988 1.00 0.00 WT1 H ATOM 9520 OH2 TIP3 2273 81.472 84.505 65.366 1.00 0.00 WT1 O ATOM 9521 H1 TIP3 2273 80.805 85.067 65.759 1.00 0.00 WT1 H ATOM 9522 H2 TIP3 2273 82.280 84.736 65.823 1.00 0.00 WT1 H ATOM 9523 OH2 TIP3 2274 80.342 44.287 41.390 1.00 0.00 WT1 O ATOM 9524 H1 TIP3 2274 80.309 45.149 40.974 1.00 0.00 WT1 H ATOM 9525 H2 TIP3 2274 80.159 43.671 40.680 1.00 0.00 WT1 H ATOM 9526 OH2 TIP3 2275 40.361 15.690 0.710 1.00 0.00 WT1 O ATOM 9527 H1 TIP3 2275 40.378 15.116 1.476 1.00 0.00 WT1 H ATOM 9528 H2 TIP3 2275 39.665 15.333 0.159 1.00 0.00 WT1 H ATOM 9529 OH2 TIP3 2276 53.821 33.167 59.944 1.00 0.00 WT1 O ATOM 9530 H1 TIP3 2276 54.062 33.985 60.379 1.00 0.00 WT1 H ATOM 9531 H2 TIP3 2276 52.977 33.353 59.533 1.00 0.00 WT1 H ATOM 9532 OH2 TIP3 2277 68.150 9.166 -12.515 1.00 0.00 WT1 O ATOM 9533 H1 TIP3 2277 68.480 8.281 -12.672 1.00 0.00 WT1 H ATOM 9534 H2 TIP3 2277 68.453 9.382 -11.633 1.00 0.00 WT1 H ATOM 9535 OH2 TIP3 2278 63.757 7.378 12.901 1.00 0.00 WT1 O ATOM 9536 H1 TIP3 2278 63.967 6.693 12.267 1.00 0.00 WT1 H ATOM 9537 H2 TIP3 2278 63.919 8.197 12.432 1.00 0.00 WT1 H ATOM 9538 OH2 TIP3 2279 24.725 20.993 22.377 1.00 0.00 WT1 O ATOM 9539 H1 TIP3 2279 25.378 20.668 21.757 1.00 0.00 WT1 H ATOM 9540 H2 TIP3 2279 24.532 20.241 22.937 1.00 0.00 WT1 H ATOM 9541 OH2 TIP3 2280 37.513 20.333 12.144 1.00 0.00 WT1 O ATOM 9542 H1 TIP3 2280 38.238 20.956 12.094 1.00 0.00 WT1 H ATOM 9543 H2 TIP3 2280 37.724 19.778 12.895 1.00 0.00 WT1 H ATOM 9544 OH2 TIP3 2281 69.450 29.620 48.415 1.00 0.00 WT1 O ATOM 9545 H1 TIP3 2281 68.940 29.861 49.188 1.00 0.00 WT1 H ATOM 9546 H2 TIP3 2281 68.800 29.528 47.718 1.00 0.00 WT1 H ATOM 9547 OH2 TIP3 2282 57.865 41.186 49.112 1.00 0.00 WT1 O ATOM 9548 H1 TIP3 2282 57.205 41.878 49.146 1.00 0.00 WT1 H ATOM 9549 H2 TIP3 2282 58.015 41.044 48.178 1.00 0.00 WT1 H ATOM 9550 OH2 TIP3 2283 36.844 23.526 9.844 1.00 0.00 WT1 O ATOM 9551 H1 TIP3 2283 36.115 23.070 10.265 1.00 0.00 WT1 H ATOM 9552 H2 TIP3 2283 36.566 24.441 9.807 1.00 0.00 WT1 H ATOM 9553 OH2 TIP3 2284 61.009 11.130 65.878 1.00 0.00 WT1 O ATOM 9554 H1 TIP3 2284 61.957 11.058 65.989 1.00 0.00 WT1 H ATOM 9555 H2 TIP3 2284 60.776 11.943 66.327 1.00 0.00 WT1 H ATOM 9556 OH2 TIP3 2285 56.416 63.433 57.526 1.00 0.00 WT1 O ATOM 9557 H1 TIP3 2285 56.441 62.690 58.128 1.00 0.00 WT1 H ATOM 9558 H2 TIP3 2285 56.836 63.110 56.729 1.00 0.00 WT1 H ATOM 9559 OH2 TIP3 2286 65.407 33.762 -0.462 1.00 0.00 WT1 O ATOM 9560 H1 TIP3 2286 64.799 33.227 0.047 1.00 0.00 WT1 H ATOM 9561 H2 TIP3 2286 65.141 34.664 -0.283 1.00 0.00 WT1 H ATOM 9562 OH2 TIP3 2287 57.033 26.284 -18.953 1.00 0.00 WT1 O ATOM 9563 H1 TIP3 2287 56.110 26.302 -19.207 1.00 0.00 WT1 H ATOM 9564 H2 TIP3 2287 57.508 26.224 -19.782 1.00 0.00 WT1 H ATOM 9565 OH2 TIP3 2288 38.824 77.339 7.376 1.00 0.00 WT1 O ATOM 9566 H1 TIP3 2288 39.482 77.099 8.028 1.00 0.00 WT1 H ATOM 9567 H2 TIP3 2288 38.134 76.683 7.479 1.00 0.00 WT1 H ATOM 9568 OH2 TIP3 2289 67.571 19.185 34.460 1.00 0.00 WT1 O ATOM 9569 H1 TIP3 2289 68.053 19.586 35.183 1.00 0.00 WT1 H ATOM 9570 H2 TIP3 2289 67.692 19.789 33.727 1.00 0.00 WT1 H ATOM 9571 OH2 TIP3 2290 47.284 39.997 -15.413 1.00 0.00 WT1 O ATOM 9572 H1 TIP3 2290 47.219 40.823 -14.933 1.00 0.00 WT1 H ATOM 9573 H2 TIP3 2290 48.112 39.615 -15.123 1.00 0.00 WT1 H ATOM 9574 OH2 TIP3 2291 84.644 62.737 18.193 1.00 0.00 WT1 O ATOM 9575 H1 TIP3 2291 83.782 62.365 18.378 1.00 0.00 WT1 H ATOM 9576 H2 TIP3 2291 84.477 63.416 17.539 1.00 0.00 WT1 H ATOM 9577 OH2 TIP3 2292 37.659 2.862 3.731 1.00 0.00 WT1 O ATOM 9578 H1 TIP3 2292 37.043 3.099 4.424 1.00 0.00 WT1 H ATOM 9579 H2 TIP3 2292 38.151 2.123 4.090 1.00 0.00 WT1 H ATOM 9580 OH2 TIP3 2293 87.675 33.394 38.944 1.00 0.00 WT1 O ATOM 9581 H1 TIP3 2293 87.600 32.449 39.078 1.00 0.00 WT1 H ATOM 9582 H2 TIP3 2293 87.343 33.538 38.058 1.00 0.00 WT1 H ATOM 9583 OH2 TIP3 2294 76.576 26.171 24.965 1.00 0.00 WT1 O ATOM 9584 H1 TIP3 2294 77.140 26.857 25.322 1.00 0.00 WT1 H ATOM 9585 H2 TIP3 2294 77.140 25.399 24.916 1.00 0.00 WT1 H ATOM 9586 OH2 TIP3 2295 89.155 85.044 7.111 1.00 0.00 WT1 O ATOM 9587 H1 TIP3 2295 90.058 85.228 6.855 1.00 0.00 WT1 H ATOM 9588 H2 TIP3 2295 89.089 84.090 7.092 1.00 0.00 WT1 H ATOM 9589 OH2 TIP3 2296 54.269 37.767 4.962 1.00 0.00 WT1 O ATOM 9590 H1 TIP3 2296 55.198 37.993 4.930 1.00 0.00 WT1 H ATOM 9591 H2 TIP3 2296 54.079 37.661 5.895 1.00 0.00 WT1 H ATOM 9592 OH2 TIP3 2298 39.991 44.103 17.100 1.00 0.00 WT1 O ATOM 9593 H1 TIP3 2298 40.792 44.516 16.777 1.00 0.00 WT1 H ATOM 9594 H2 TIP3 2298 40.286 43.520 17.800 1.00 0.00 WT1 H ATOM 9595 OH2 TIP3 2299 49.721 38.628 -3.622 1.00 0.00 WT1 O ATOM 9596 H1 TIP3 2299 49.831 38.770 -4.563 1.00 0.00 WT1 H ATOM 9597 H2 TIP3 2299 49.969 39.462 -3.223 1.00 0.00 WT1 H ATOM 9598 OH2 TIP3 2300 25.607 46.449 17.260 1.00 0.00 WT1 O ATOM 9599 H1 TIP3 2300 25.212 47.318 17.331 1.00 0.00 WT1 H ATOM 9600 H2 TIP3 2300 24.887 45.879 16.990 1.00 0.00 WT1 H ATOM 9601 OH2 TIP3 2301 60.001 16.559 -3.614 1.00 0.00 WT1 O ATOM 9602 H1 TIP3 2301 59.972 15.843 -2.979 1.00 0.00 WT1 H ATOM 9603 H2 TIP3 2301 60.913 16.848 -3.609 1.00 0.00 WT1 H ATOM 9604 OH2 TIP3 2302 78.142 3.912 4.580 1.00 0.00 WT1 O ATOM 9605 H1 TIP3 2302 78.534 3.825 5.449 1.00 0.00 WT1 H ATOM 9606 H2 TIP3 2302 77.482 3.219 4.543 1.00 0.00 WT1 H ATOM 9607 OH2 TIP3 2303 31.538 83.154 40.586 1.00 0.00 WT1 O ATOM 9608 H1 TIP3 2303 31.477 82.239 40.860 1.00 0.00 WT1 H ATOM 9609 H2 TIP3 2303 32.069 83.131 39.790 1.00 0.00 WT1 H ATOM 9610 OH2 TIP3 2305 27.362 34.580 32.058 1.00 0.00 WT1 O ATOM 9611 H1 TIP3 2305 27.333 35.497 32.329 1.00 0.00 WT1 H ATOM 9612 H2 TIP3 2305 26.684 34.153 32.583 1.00 0.00 WT1 H ATOM 9613 OH2 TIP3 2306 62.614 14.457 -14.084 1.00 0.00 WT1 O ATOM 9614 H1 TIP3 2306 61.795 14.835 -13.764 1.00 0.00 WT1 H ATOM 9615 H2 TIP3 2306 62.950 15.103 -14.704 1.00 0.00 WT1 H ATOM 9616 OH2 TIP3 2307 60.062 10.259 -17.775 1.00 0.00 WT1 O ATOM 9617 H1 TIP3 2307 60.931 10.044 -17.434 1.00 0.00 WT1 H ATOM 9618 H2 TIP3 2307 60.008 9.790 -18.607 1.00 0.00 WT1 H ATOM 9619 OH2 TIP3 2308 55.278 12.086 -2.740 1.00 0.00 WT1 O ATOM 9620 H1 TIP3 2308 55.112 13.022 -2.628 1.00 0.00 WT1 H ATOM 9621 H2 TIP3 2308 56.198 11.975 -2.502 1.00 0.00 WT1 H ATOM 9622 OH2 TIP3 2309 36.252 84.937 35.924 1.00 0.00 WT1 O ATOM 9623 H1 TIP3 2309 36.105 84.044 36.238 1.00 0.00 WT1 H ATOM 9624 H2 TIP3 2309 36.959 84.853 35.285 1.00 0.00 WT1 H ATOM 9625 OH2 TIP3 2310 82.719 35.698 -2.635 1.00 0.00 WT1 O ATOM 9626 H1 TIP3 2310 83.429 36.233 -2.277 1.00 0.00 WT1 H ATOM 9627 H2 TIP3 2310 82.084 35.635 -1.922 1.00 0.00 WT1 H ATOM 9628 OH2 TIP3 2311 51.897 52.160 64.201 1.00 0.00 WT1 O ATOM 9629 H1 TIP3 2311 51.447 51.538 63.630 1.00 0.00 WT1 H ATOM 9630 H2 TIP3 2311 52.803 52.156 63.894 1.00 0.00 WT1 H ATOM 9631 OH2 TIP3 2313 83.539 74.558 49.064 1.00 0.00 WT1 O ATOM 9632 H1 TIP3 2313 82.919 73.927 49.432 1.00 0.00 WT1 H ATOM 9633 H2 TIP3 2313 83.067 75.391 49.073 1.00 0.00 WT1 H ATOM 9634 OH2 TIP3 2314 42.854 28.978 33.783 1.00 0.00 WT1 O ATOM 9635 H1 TIP3 2314 43.618 29.454 34.111 1.00 0.00 WT1 H ATOM 9636 H2 TIP3 2314 43.222 28.248 33.286 1.00 0.00 WT1 H ATOM 9637 OH2 TIP3 2315 71.359 5.369 38.961 1.00 0.00 WT1 O ATOM 9638 H1 TIP3 2315 72.089 4.760 38.848 1.00 0.00 WT1 H ATOM 9639 H2 TIP3 2315 71.444 5.681 39.862 1.00 0.00 WT1 H ATOM 9640 OH2 TIP3 2316 33.686 11.758 60.003 1.00 0.00 WT1 O ATOM 9641 H1 TIP3 2316 33.120 11.927 60.756 1.00 0.00 WT1 H ATOM 9642 H2 TIP3 2316 34.081 12.608 59.805 1.00 0.00 WT1 H ATOM 9643 OH2 TIP3 2317 61.253 83.107 26.983 1.00 0.00 WT1 O ATOM 9644 H1 TIP3 2317 61.273 82.675 27.837 1.00 0.00 WT1 H ATOM 9645 H2 TIP3 2317 61.921 82.653 26.469 1.00 0.00 WT1 H ATOM 9646 OH2 TIP3 2318 23.823 71.414 62.815 1.00 0.00 WT1 O ATOM 9647 H1 TIP3 2318 24.496 72.040 62.546 1.00 0.00 WT1 H ATOM 9648 H2 TIP3 2318 23.403 71.825 63.572 1.00 0.00 WT1 H ATOM 9649 OH2 TIP3 2319 88.735 87.616 39.378 1.00 0.00 WT1 O ATOM 9650 H1 TIP3 2319 88.084 87.307 40.008 1.00 0.00 WT1 H ATOM 9651 H2 TIP3 2319 88.371 87.385 38.524 1.00 0.00 WT1 H ATOM 9652 OH2 TIP3 2320 61.528 60.777 -16.712 1.00 0.00 WT1 O ATOM 9653 H1 TIP3 2320 61.425 60.916 -15.770 1.00 0.00 WT1 H ATOM 9654 H2 TIP3 2320 60.690 61.050 -17.087 1.00 0.00 WT1 H ATOM 9655 OH2 TIP3 2321 60.323 48.904 35.341 1.00 0.00 WT1 O ATOM 9656 H1 TIP3 2321 59.408 48.637 35.423 1.00 0.00 WT1 H ATOM 9657 H2 TIP3 2321 60.515 48.819 34.407 1.00 0.00 WT1 H ATOM 9658 OH2 TIP3 2322 72.021 41.391 64.620 1.00 0.00 WT1 O ATOM 9659 H1 TIP3 2322 71.340 40.750 64.417 1.00 0.00 WT1 H ATOM 9660 H2 TIP3 2322 71.569 42.073 65.116 1.00 0.00 WT1 H ATOM 9661 OH2 TIP3 2323 45.571 61.065 -10.219 1.00 0.00 WT1 O ATOM 9662 H1 TIP3 2323 46.444 61.403 -10.021 1.00 0.00 WT1 H ATOM 9663 H2 TIP3 2323 45.038 61.321 -9.467 1.00 0.00 WT1 H ATOM 9664 OH2 TIP3 2324 27.050 0.558 33.831 1.00 0.00 WT1 O ATOM 9665 H1 TIP3 2324 27.634 0.781 33.106 1.00 0.00 WT1 H ATOM 9666 H2 TIP3 2324 27.430 0.999 34.591 1.00 0.00 WT1 H ATOM 9667 OH2 TIP3 2326 46.444 75.165 -5.029 1.00 0.00 WT1 O ATOM 9668 H1 TIP3 2326 46.731 74.888 -4.159 1.00 0.00 WT1 H ATOM 9669 H2 TIP3 2326 46.513 74.377 -5.568 1.00 0.00 WT1 H ATOM 9670 OH2 TIP3 2327 65.357 0.475 43.156 1.00 0.00 WT1 O ATOM 9671 H1 TIP3 2327 65.783 0.199 42.344 1.00 0.00 WT1 H ATOM 9672 H2 TIP3 2327 64.622 -0.131 43.259 1.00 0.00 WT1 H ATOM 9673 OH2 TIP3 2329 44.345 78.144 46.431 1.00 0.00 WT1 O ATOM 9674 H1 TIP3 2329 43.967 78.939 46.055 1.00 0.00 WT1 H ATOM 9675 H2 TIP3 2329 44.501 78.363 47.349 1.00 0.00 WT1 H ATOM 9676 OH2 TIP3 2330 76.124 19.855 -10.908 1.00 0.00 WT1 O ATOM 9677 H1 TIP3 2330 76.071 20.526 -10.228 1.00 0.00 WT1 H ATOM 9678 H2 TIP3 2330 76.854 20.131 -11.462 1.00 0.00 WT1 H ATOM 9679 OH2 TIP3 2331 40.582 86.733 61.641 1.00 0.00 WT1 O ATOM 9680 H1 TIP3 2331 39.701 86.786 61.272 1.00 0.00 WT1 H ATOM 9681 H2 TIP3 2331 41.101 86.299 60.964 1.00 0.00 WT1 H ATOM 9682 OH2 TIP3 2332 55.186 31.408 64.455 1.00 0.00 WT1 O ATOM 9683 H1 TIP3 2332 54.546 31.129 65.109 1.00 0.00 WT1 H ATOM 9684 H2 TIP3 2332 55.244 30.672 63.846 1.00 0.00 WT1 H ATOM 9685 OH2 TIP3 2333 53.104 46.884 62.169 1.00 0.00 WT1 O ATOM 9686 H1 TIP3 2333 53.531 46.232 62.724 1.00 0.00 WT1 H ATOM 9687 H2 TIP3 2333 52.527 47.364 62.763 1.00 0.00 WT1 H ATOM 9688 OH2 TIP3 2334 63.024 5.189 61.713 1.00 0.00 WT1 O ATOM 9689 H1 TIP3 2334 62.538 4.681 62.363 1.00 0.00 WT1 H ATOM 9690 H2 TIP3 2334 62.473 5.166 60.931 1.00 0.00 WT1 H ATOM 9691 OH2 TIP3 2335 28.692 27.494 -6.319 1.00 0.00 WT1 O ATOM 9692 H1 TIP3 2335 27.797 27.415 -5.988 1.00 0.00 WT1 H ATOM 9693 H2 TIP3 2335 29.046 28.262 -5.871 1.00 0.00 WT1 H ATOM 9694 OH2 TIP3 2336 52.326 17.299 47.965 1.00 0.00 WT1 O ATOM 9695 H1 TIP3 2336 52.988 16.838 47.449 1.00 0.00 WT1 H ATOM 9696 H2 TIP3 2336 52.130 16.705 48.690 1.00 0.00 WT1 H ATOM 9697 OH2 TIP3 2337 52.961 44.548 21.094 1.00 0.00 WT1 O ATOM 9698 H1 TIP3 2337 53.737 45.098 21.204 1.00 0.00 WT1 H ATOM 9699 H2 TIP3 2337 52.577 44.837 20.267 1.00 0.00 WT1 H ATOM 9700 OH2 TIP3 2338 71.043 35.922 54.274 1.00 0.00 WT1 O ATOM 9701 H1 TIP3 2338 70.091 35.841 54.328 1.00 0.00 WT1 H ATOM 9702 H2 TIP3 2338 71.259 35.622 53.391 1.00 0.00 WT1 H ATOM 9703 OH2 TIP3 2339 62.667 42.677 3.010 1.00 0.00 WT1 O ATOM 9704 H1 TIP3 2339 62.275 43.027 3.810 1.00 0.00 WT1 H ATOM 9705 H2 TIP3 2339 62.090 42.978 2.308 1.00 0.00 WT1 H ATOM 9706 OH2 TIP3 2340 65.651 20.671 12.469 1.00 0.00 WT1 O ATOM 9707 H1 TIP3 2340 64.764 20.369 12.277 1.00 0.00 WT1 H ATOM 9708 H2 TIP3 2340 66.095 19.900 12.823 1.00 0.00 WT1 H ATOM 9709 OH2 TIP3 2341 47.531 54.489 -6.837 1.00 0.00 WT1 O ATOM 9710 H1 TIP3 2341 47.471 54.764 -5.922 1.00 0.00 WT1 H ATOM 9711 H2 TIP3 2341 46.696 54.753 -7.222 1.00 0.00 WT1 H ATOM 9712 OH2 TIP3 2342 20.409 14.758 61.944 1.00 0.00 WT1 O ATOM 9713 H1 TIP3 2342 20.447 15.397 62.656 1.00 0.00 WT1 H ATOM 9714 H2 TIP3 2342 20.021 13.979 62.342 1.00 0.00 WT1 H ATOM 9715 OH2 TIP3 2344 63.097 95.931 67.285 1.00 0.00 WT1 O ATOM 9716 H1 TIP3 2344 62.945 96.181 66.374 1.00 0.00 WT1 H ATOM 9717 H2 TIP3 2344 62.268 95.544 67.570 1.00 0.00 WT1 H ATOM 9718 OH2 TIP3 2345 71.400 43.389 51.034 1.00 0.00 WT1 O ATOM 9719 H1 TIP3 2345 71.906 42.662 51.395 1.00 0.00 WT1 H ATOM 9720 H2 TIP3 2345 71.789 43.550 50.174 1.00 0.00 WT1 H ATOM 9721 OH2 TIP3 2346 27.912 13.168 66.850 1.00 0.00 WT1 O ATOM 9722 H1 TIP3 2346 28.352 13.235 67.698 1.00 0.00 WT1 H ATOM 9723 H2 TIP3 2346 28.192 12.323 66.500 1.00 0.00 WT1 H ATOM 9724 OH2 TIP3 2347 44.534 18.537 48.119 1.00 0.00 WT1 O ATOM 9725 H1 TIP3 2347 43.888 17.878 48.376 1.00 0.00 WT1 H ATOM 9726 H2 TIP3 2347 44.021 19.218 47.683 1.00 0.00 WT1 H ATOM 9727 OH2 TIP3 2348 75.932 7.761 -16.614 1.00 0.00 WT1 O ATOM 9728 H1 TIP3 2348 76.131 6.929 -16.183 1.00 0.00 WT1 H ATOM 9729 H2 TIP3 2348 76.520 7.786 -17.369 1.00 0.00 WT1 H ATOM 9730 OH2 TIP3 2349 45.053 83.243 40.109 1.00 0.00 WT1 O ATOM 9731 H1 TIP3 2349 45.670 82.741 39.576 1.00 0.00 WT1 H ATOM 9732 H2 TIP3 2349 44.851 82.669 40.847 1.00 0.00 WT1 H ATOM 9733 OH2 TIP3 2350 69.236 93.862 62.161 1.00 0.00 WT1 O ATOM 9734 H1 TIP3 2350 68.613 94.229 62.788 1.00 0.00 WT1 H ATOM 9735 H2 TIP3 2350 70.010 93.656 62.685 1.00 0.00 WT1 H ATOM 9736 OH2 TIP3 2351 88.086 21.943 63.561 1.00 0.00 WT1 O ATOM 9737 H1 TIP3 2351 87.818 22.717 64.056 1.00 0.00 WT1 H ATOM 9738 H2 TIP3 2351 87.730 22.083 62.684 1.00 0.00 WT1 H ATOM 9739 OH2 TIP3 2352 55.271 20.374 60.278 1.00 0.00 WT1 O ATOM 9740 H1 TIP3 2352 55.299 19.832 59.490 1.00 0.00 WT1 H ATOM 9741 H2 TIP3 2352 54.704 21.109 60.045 1.00 0.00 WT1 H ATOM 9742 OH2 TIP3 2353 50.201 6.393 40.683 1.00 0.00 WT1 O ATOM 9743 H1 TIP3 2353 49.386 6.609 40.231 1.00 0.00 WT1 H ATOM 9744 H2 TIP3 2353 50.540 5.630 40.215 1.00 0.00 WT1 H ATOM 9745 OH2 TIP3 2354 67.324 71.522 13.229 1.00 0.00 WT1 O ATOM 9746 H1 TIP3 2354 66.377 71.519 13.372 1.00 0.00 WT1 H ATOM 9747 H2 TIP3 2354 67.491 70.730 12.719 1.00 0.00 WT1 H ATOM 9748 OH2 TIP3 2355 62.137 56.052 24.289 1.00 0.00 WT1 O ATOM 9749 H1 TIP3 2355 61.854 55.235 23.879 1.00 0.00 WT1 H ATOM 9750 H2 TIP3 2355 61.360 56.612 24.270 1.00 0.00 WT1 H ATOM 9751 OH2 TIP3 2356 64.617 92.734 32.364 1.00 0.00 WT1 O ATOM 9752 H1 TIP3 2356 64.291 92.057 32.957 1.00 0.00 WT1 H ATOM 9753 H2 TIP3 2356 64.614 92.318 31.501 1.00 0.00 WT1 H ATOM 9754 OH2 TIP3 2357 67.515 77.030 -7.994 1.00 0.00 WT1 O ATOM 9755 H1 TIP3 2357 68.397 77.388 -7.899 1.00 0.00 WT1 H ATOM 9756 H2 TIP3 2357 67.511 76.251 -7.438 1.00 0.00 WT1 H ATOM 9757 OH2 TIP3 2358 71.550 67.739 43.122 1.00 0.00 WT1 O ATOM 9758 H1 TIP3 2358 72.485 67.627 42.949 1.00 0.00 WT1 H ATOM 9759 H2 TIP3 2358 71.118 67.182 42.474 1.00 0.00 WT1 H ATOM 9760 OH2 TIP3 2359 50.146 44.912 -7.283 1.00 0.00 WT1 O ATOM 9761 H1 TIP3 2359 50.943 45.203 -7.726 1.00 0.00 WT1 H ATOM 9762 H2 TIP3 2359 49.753 45.716 -6.943 1.00 0.00 WT1 H ATOM 9763 OH2 TIP3 2360 24.958 89.605 10.462 1.00 0.00 WT1 O ATOM 9764 H1 TIP3 2360 25.615 89.933 9.848 1.00 0.00 WT1 H ATOM 9765 H2 TIP3 2360 25.460 89.348 11.236 1.00 0.00 WT1 H ATOM 9766 OH2 TIP3 2361 23.825 5.117 -18.236 1.00 0.00 WT1 O ATOM 9767 H1 TIP3 2361 23.736 4.373 -18.832 1.00 0.00 WT1 H ATOM 9768 H2 TIP3 2361 23.278 4.889 -17.485 1.00 0.00 WT1 H ATOM 9769 OH2 TIP3 2362 60.548 62.865 -11.702 1.00 0.00 WT1 O ATOM 9770 H1 TIP3 2362 60.997 62.770 -10.862 1.00 0.00 WT1 H ATOM 9771 H2 TIP3 2362 60.132 63.726 -11.655 1.00 0.00 WT1 H ATOM 9772 OH2 TIP3 2363 71.204 35.160 -13.930 1.00 0.00 WT1 O ATOM 9773 H1 TIP3 2363 71.798 34.464 -14.211 1.00 0.00 WT1 H ATOM 9774 H2 TIP3 2363 71.736 35.712 -13.357 1.00 0.00 WT1 H ATOM 9775 OH2 TIP3 2367 36.223 9.610 25.914 1.00 0.00 WT1 O ATOM 9776 H1 TIP3 2367 35.866 8.812 26.302 1.00 0.00 WT1 H ATOM 9777 H2 TIP3 2367 37.172 9.488 25.944 1.00 0.00 WT1 H ATOM 9778 OH2 TIP3 2369 39.254 61.133 42.250 1.00 0.00 WT1 O ATOM 9779 H1 TIP3 2369 39.042 61.278 43.173 1.00 0.00 WT1 H ATOM 9780 H2 TIP3 2369 40.165 61.415 42.166 1.00 0.00 WT1 H ATOM 9781 OH2 TIP3 2370 88.043 49.001 19.532 1.00 0.00 WT1 O ATOM 9782 H1 TIP3 2370 88.652 49.736 19.456 1.00 0.00 WT1 H ATOM 9783 H2 TIP3 2370 88.364 48.357 18.901 1.00 0.00 WT1 H ATOM 9784 OH2 TIP3 2371 35.277 38.667 45.347 1.00 0.00 WT1 O ATOM 9785 H1 TIP3 2371 35.200 39.617 45.262 1.00 0.00 WT1 H ATOM 9786 H2 TIP3 2371 35.996 38.431 44.761 1.00 0.00 WT1 H ATOM 9787 OH2 TIP3 2372 86.556 32.073 66.424 1.00 0.00 WT1 O ATOM 9788 H1 TIP3 2372 87.142 32.443 67.084 1.00 0.00 WT1 H ATOM 9789 H2 TIP3 2372 86.155 32.834 66.005 1.00 0.00 WT1 H ATOM 9790 OH2 TIP3 2373 49.173 46.087 35.080 1.00 0.00 WT1 O ATOM 9791 H1 TIP3 2373 50.021 46.512 34.954 1.00 0.00 WT1 H ATOM 9792 H2 TIP3 2373 49.085 45.498 34.330 1.00 0.00 WT1 H ATOM 9793 OH2 TIP3 2374 44.679 17.426 19.209 1.00 0.00 WT1 O ATOM 9794 H1 TIP3 2374 45.033 18.311 19.127 1.00 0.00 WT1 H ATOM 9795 H2 TIP3 2374 43.752 17.555 19.409 1.00 0.00 WT1 H ATOM 9796 OH2 TIP3 2375 57.017 4.523 38.503 1.00 0.00 WT1 O ATOM 9797 H1 TIP3 2375 56.473 5.288 38.691 1.00 0.00 WT1 H ATOM 9798 H2 TIP3 2375 57.645 4.491 39.225 1.00 0.00 WT1 H ATOM 9799 OH2 TIP3 2376 87.250 63.137 -19.537 1.00 0.00 WT1 O ATOM 9800 H1 TIP3 2376 87.505 62.214 -19.551 1.00 0.00 WT1 H ATOM 9801 H2 TIP3 2376 86.334 63.128 -19.258 1.00 0.00 WT1 H ATOM 9802 OH2 TIP3 2377 61.037 96.646 30.802 1.00 0.00 WT1 O ATOM 9803 H1 TIP3 2377 60.972 96.596 29.848 1.00 0.00 WT1 H ATOM 9804 H2 TIP3 2377 60.260 96.188 31.120 1.00 0.00 WT1 H ATOM 9805 OH2 TIP3 2379 57.527 4.900 -17.973 1.00 0.00 WT1 O ATOM 9806 H1 TIP3 2379 58.163 4.664 -18.648 1.00 0.00 WT1 H ATOM 9807 H2 TIP3 2379 58.011 4.822 -17.150 1.00 0.00 WT1 H ATOM 9808 OH2 TIP3 2380 43.018 10.673 -12.024 1.00 0.00 WT1 O ATOM 9809 H1 TIP3 2380 43.413 10.623 -12.894 1.00 0.00 WT1 H ATOM 9810 H2 TIP3 2380 42.904 11.610 -11.866 1.00 0.00 WT1 H ATOM 9811 OH2 TIP3 2381 47.396 14.490 7.538 1.00 0.00 WT1 O ATOM 9812 H1 TIP3 2381 47.155 14.327 6.626 1.00 0.00 WT1 H ATOM 9813 H2 TIP3 2381 46.625 14.229 8.041 1.00 0.00 WT1 H ATOM 9814 OH2 TIP3 2382 77.277 96.911 38.394 1.00 0.00 WT1 O ATOM 9815 H1 TIP3 2382 76.779 96.289 38.924 1.00 0.00 WT1 H ATOM 9816 H2 TIP3 2382 77.232 96.558 37.505 1.00 0.00 WT1 H ATOM 9817 OH2 TIP3 2383 54.580 80.936 43.137 1.00 0.00 WT1 O ATOM 9818 H1 TIP3 2383 53.963 81.609 42.850 1.00 0.00 WT1 H ATOM 9819 H2 TIP3 2383 54.657 80.346 42.388 1.00 0.00 WT1 H ATOM 9820 OH2 TIP3 2384 79.436 82.198 41.380 1.00 0.00 WT1 O ATOM 9821 H1 TIP3 2384 79.676 81.458 41.938 1.00 0.00 WT1 H ATOM 9822 H2 TIP3 2384 79.675 82.972 41.890 1.00 0.00 WT1 H ATOM 9823 OH2 TIP3 2385 30.491 0.826 -12.585 1.00 0.00 WT1 O ATOM 9824 H1 TIP3 2385 30.635 -0.114 -12.477 1.00 0.00 WT1 H ATOM 9825 H2 TIP3 2385 29.855 1.051 -11.906 1.00 0.00 WT1 H ATOM 9826 OH2 TIP3 2386 56.219 75.836 59.846 1.00 0.00 WT1 O ATOM 9827 H1 TIP3 2386 55.724 75.344 60.502 1.00 0.00 WT1 H ATOM 9828 H2 TIP3 2386 57.131 75.594 60.004 1.00 0.00 WT1 H ATOM 9829 OH2 TIP3 2387 81.384 23.829 39.938 1.00 0.00 WT1 O ATOM 9830 H1 TIP3 2387 82.309 24.043 39.810 1.00 0.00 WT1 H ATOM 9831 H2 TIP3 2387 80.914 24.601 39.625 1.00 0.00 WT1 H ATOM 9832 OH2 TIP3 2389 24.718 90.286 41.066 1.00 0.00 WT1 O ATOM 9833 H1 TIP3 2389 25.440 89.866 41.534 1.00 0.00 WT1 H ATOM 9834 H2 TIP3 2389 24.108 89.574 40.877 1.00 0.00 WT1 H ATOM 9835 OH2 TIP3 2390 90.779 50.693 49.999 1.00 0.00 WT1 O ATOM 9836 H1 TIP3 2390 90.070 50.486 49.390 1.00 0.00 WT1 H ATOM 9837 H2 TIP3 2390 91.072 51.566 49.739 1.00 0.00 WT1 H ATOM 9838 OH2 TIP3 2391 58.537 43.573 40.852 1.00 0.00 WT1 O ATOM 9839 H1 TIP3 2391 59.309 43.855 40.362 1.00 0.00 WT1 H ATOM 9840 H2 TIP3 2391 57.817 44.081 40.480 1.00 0.00 WT1 H ATOM 9841 OH2 TIP3 2392 73.093 29.832 28.948 1.00 0.00 WT1 O ATOM 9842 H1 TIP3 2392 72.818 30.217 29.780 1.00 0.00 WT1 H ATOM 9843 H2 TIP3 2392 73.269 30.584 28.383 1.00 0.00 WT1 H ATOM 9844 OH2 TIP3 2393 75.705 95.672 40.778 1.00 0.00 WT1 O ATOM 9845 H1 TIP3 2393 75.913 96.587 40.966 1.00 0.00 WT1 H ATOM 9846 H2 TIP3 2393 74.832 95.700 40.386 1.00 0.00 WT1 H ATOM 9847 OH2 TIP3 2394 20.688 76.059 55.972 1.00 0.00 WT1 O ATOM 9848 H1 TIP3 2394 20.383 76.050 55.065 1.00 0.00 WT1 H ATOM 9849 H2 TIP3 2394 20.996 75.166 56.131 1.00 0.00 WT1 H ATOM 9850 OH2 TIP3 2395 28.862 48.772 31.367 1.00 0.00 WT1 O ATOM 9851 H1 TIP3 2395 28.747 49.332 30.600 1.00 0.00 WT1 H ATOM 9852 H2 TIP3 2395 28.007 48.361 31.494 1.00 0.00 WT1 H ATOM 9853 OH2 TIP3 2396 22.244 62.589 -6.349 1.00 0.00 WT1 O ATOM 9854 H1 TIP3 2396 22.177 62.763 -5.410 1.00 0.00 WT1 H ATOM 9855 H2 TIP3 2396 22.092 63.439 -6.762 1.00 0.00 WT1 H ATOM 9856 OH2 TIP3 2397 69.706 30.924 64.342 1.00 0.00 WT1 O ATOM 9857 H1 TIP3 2397 69.387 31.758 64.686 1.00 0.00 WT1 H ATOM 9858 H2 TIP3 2397 70.644 30.929 64.531 1.00 0.00 WT1 H ATOM 9859 OH2 TIP3 2398 54.230 13.587 -5.983 1.00 0.00 WT1 O ATOM 9860 H1 TIP3 2398 54.732 13.387 -6.773 1.00 0.00 WT1 H ATOM 9861 H2 TIP3 2398 54.217 12.765 -5.493 1.00 0.00 WT1 H ATOM 9862 OH2 TIP3 2399 73.985 52.152 18.333 1.00 0.00 WT1 O ATOM 9863 H1 TIP3 2399 73.510 52.173 17.502 1.00 0.00 WT1 H ATOM 9864 H2 TIP3 2399 73.310 52.289 18.998 1.00 0.00 WT1 H ATOM 9865 OH2 TIP3 2400 32.857 59.825 -9.807 1.00 0.00 WT1 O ATOM 9866 H1 TIP3 2400 32.332 59.947 -9.016 1.00 0.00 WT1 H ATOM 9867 H2 TIP3 2400 33.485 59.141 -9.575 1.00 0.00 WT1 H ATOM 9868 OH2 TIP3 2401 43.763 1.760 -12.561 1.00 0.00 WT1 O ATOM 9869 H1 TIP3 2401 44.339 2.240 -13.155 1.00 0.00 WT1 H ATOM 9870 H2 TIP3 2401 42.879 2.008 -12.830 1.00 0.00 WT1 H ATOM 9871 OH2 TIP3 2402 80.492 38.454 -7.838 1.00 0.00 WT1 O ATOM 9872 H1 TIP3 2402 80.665 38.125 -6.956 1.00 0.00 WT1 H ATOM 9873 H2 TIP3 2402 81.357 38.516 -8.244 1.00 0.00 WT1 H ATOM 9874 OH2 TIP3 2403 44.004 37.631 32.708 1.00 0.00 WT1 O ATOM 9875 H1 TIP3 2403 44.673 37.834 32.055 1.00 0.00 WT1 H ATOM 9876 H2 TIP3 2403 43.369 37.088 32.241 1.00 0.00 WT1 H ATOM 9877 OH2 TIP3 2404 47.541 40.854 3.934 1.00 0.00 WT1 O ATOM 9878 H1 TIP3 2404 47.797 40.986 4.847 1.00 0.00 WT1 H ATOM 9879 H2 TIP3 2404 47.127 39.991 3.924 1.00 0.00 WT1 H ATOM 9880 OH2 TIP3 2405 40.905 7.442 53.975 1.00 0.00 WT1 O ATOM 9881 H1 TIP3 2405 41.617 6.924 53.598 1.00 0.00 WT1 H ATOM 9882 H2 TIP3 2405 41.346 8.145 54.451 1.00 0.00 WT1 H ATOM 9883 OH2 TIP3 2406 54.142 32.808 -17.847 1.00 0.00 WT1 O ATOM 9884 H1 TIP3 2406 53.253 33.158 -17.799 1.00 0.00 WT1 H ATOM 9885 H2 TIP3 2406 54.034 31.924 -18.197 1.00 0.00 WT1 H ATOM 9886 OH2 TIP3 2407 27.933 21.457 4.396 1.00 0.00 WT1 O ATOM 9887 H1 TIP3 2407 28.809 21.545 4.019 1.00 0.00 WT1 H ATOM 9888 H2 TIP3 2407 28.007 21.845 5.268 1.00 0.00 WT1 H ATOM 9889 OH2 TIP3 2408 53.876 18.435 32.761 1.00 0.00 WT1 O ATOM 9890 H1 TIP3 2408 53.787 17.719 32.132 1.00 0.00 WT1 H ATOM 9891 H2 TIP3 2408 54.617 18.947 32.437 1.00 0.00 WT1 H ATOM 9892 OH2 TIP3 2409 73.908 13.031 60.666 1.00 0.00 WT1 O ATOM 9893 H1 TIP3 2409 73.724 13.970 60.708 1.00 0.00 WT1 H ATOM 9894 H2 TIP3 2409 73.593 12.763 59.803 1.00 0.00 WT1 H ATOM 9895 OH2 TIP3 2410 84.686 44.032 -4.578 1.00 0.00 WT1 O ATOM 9896 H1 TIP3 2410 84.846 43.118 -4.342 1.00 0.00 WT1 H ATOM 9897 H2 TIP3 2410 83.902 44.004 -5.127 1.00 0.00 WT1 H ATOM 9898 OH2 TIP3 2411 70.270 27.212 29.591 1.00 0.00 WT1 O ATOM 9899 H1 TIP3 2411 69.777 26.507 29.172 1.00 0.00 WT1 H ATOM 9900 H2 TIP3 2411 71.167 27.096 29.278 1.00 0.00 WT1 H ATOM 9901 OH2 TIP3 2412 37.700 13.100 3.284 1.00 0.00 WT1 O ATOM 9902 H1 TIP3 2412 37.128 12.708 3.944 1.00 0.00 WT1 H ATOM 9903 H2 TIP3 2412 37.170 13.792 2.888 1.00 0.00 WT1 H ATOM 9904 OH2 TIP3 2413 31.049 23.615 53.225 1.00 0.00 WT1 O ATOM 9905 H1 TIP3 2413 31.775 24.234 53.296 1.00 0.00 WT1 H ATOM 9906 H2 TIP3 2413 31.248 23.099 52.444 1.00 0.00 WT1 H ATOM 9907 OH2 TIP3 2414 47.020 73.020 -16.794 1.00 0.00 WT1 O ATOM 9908 H1 TIP3 2414 46.535 73.686 -17.281 1.00 0.00 WT1 H ATOM 9909 H2 TIP3 2414 47.839 72.916 -17.279 1.00 0.00 WT1 H ATOM 9910 OH2 TIP3 2415 85.087 52.633 10.556 1.00 0.00 WT1 O ATOM 9911 H1 TIP3 2415 85.305 53.559 10.445 1.00 0.00 WT1 H ATOM 9912 H2 TIP3 2415 85.861 52.166 10.241 1.00 0.00 WT1 H ATOM 9913 OH2 TIP3 2416 86.874 42.563 -8.560 1.00 0.00 WT1 O ATOM 9914 H1 TIP3 2416 87.332 42.751 -9.380 1.00 0.00 WT1 H ATOM 9915 H2 TIP3 2416 86.912 43.385 -8.070 1.00 0.00 WT1 H ATOM 9916 OH2 TIP3 2417 62.141 7.652 66.057 1.00 0.00 WT1 O ATOM 9917 H1 TIP3 2417 62.403 8.516 66.376 1.00 0.00 WT1 H ATOM 9918 H2 TIP3 2417 61.569 7.835 65.312 1.00 0.00 WT1 H ATOM 9919 OH2 TIP3 2418 78.150 24.083 -12.302 1.00 0.00 WT1 O ATOM 9920 H1 TIP3 2418 78.599 24.735 -11.762 1.00 0.00 WT1 H ATOM 9921 H2 TIP3 2418 78.572 23.254 -12.078 1.00 0.00 WT1 H ATOM 9922 OH2 TIP3 2419 27.217 46.857 41.081 1.00 0.00 WT1 O ATOM 9923 H1 TIP3 2419 26.874 46.075 40.649 1.00 0.00 WT1 H ATOM 9924 H2 TIP3 2419 27.244 46.626 42.010 1.00 0.00 WT1 H ATOM 9925 OH2 TIP3 2420 72.901 45.635 -3.217 1.00 0.00 WT1 O ATOM 9926 H1 TIP3 2420 72.542 46.121 -2.475 1.00 0.00 WT1 H ATOM 9927 H2 TIP3 2420 73.677 45.198 -2.865 1.00 0.00 WT1 H ATOM 9928 OH2 TIP3 2421 67.524 47.438 43.215 1.00 0.00 WT1 O ATOM 9929 H1 TIP3 2421 67.867 46.777 42.615 1.00 0.00 WT1 H ATOM 9930 H2 TIP3 2421 66.601 47.526 42.975 1.00 0.00 WT1 H ATOM 9931 OH2 TIP3 2422 39.530 92.821 31.219 1.00 0.00 WT1 O ATOM 9932 H1 TIP3 2422 40.350 93.279 31.400 1.00 0.00 WT1 H ATOM 9933 H2 TIP3 2422 39.757 92.179 30.546 1.00 0.00 WT1 H ATOM 9934 OH2 TIP3 2423 44.289 60.786 6.696 1.00 0.00 WT1 O ATOM 9935 H1 TIP3 2423 44.403 61.056 7.607 1.00 0.00 WT1 H ATOM 9936 H2 TIP3 2423 45.132 60.973 6.283 1.00 0.00 WT1 H ATOM 9937 OH2 TIP3 2425 37.574 18.941 -13.951 1.00 0.00 WT1 O ATOM 9938 H1 TIP3 2425 36.769 18.975 -14.468 1.00 0.00 WT1 H ATOM 9939 H2 TIP3 2425 37.533 18.100 -13.496 1.00 0.00 WT1 H ATOM 9940 OH2 TIP3 2426 86.737 74.099 8.550 1.00 0.00 WT1 O ATOM 9941 H1 TIP3 2426 86.198 73.630 9.187 1.00 0.00 WT1 H ATOM 9942 H2 TIP3 2426 87.355 73.443 8.229 1.00 0.00 WT1 H ATOM 9943 OH2 TIP3 2427 27.919 19.299 20.829 1.00 0.00 WT1 O ATOM 9944 H1 TIP3 2427 27.338 18.896 20.184 1.00 0.00 WT1 H ATOM 9945 H2 TIP3 2427 28.658 18.696 20.896 1.00 0.00 WT1 H ATOM 9946 OH2 TIP3 2429 80.967 90.710 37.323 1.00 0.00 WT1 O ATOM 9947 H1 TIP3 2429 81.395 90.632 38.176 1.00 0.00 WT1 H ATOM 9948 H2 TIP3 2429 80.071 90.412 37.476 1.00 0.00 WT1 H ATOM 9949 OH2 TIP3 2430 54.969 58.883 56.426 1.00 0.00 WT1 O ATOM 9950 H1 TIP3 2430 54.879 59.835 56.378 1.00 0.00 WT1 H ATOM 9951 H2 TIP3 2430 55.562 58.661 55.708 1.00 0.00 WT1 H ATOM 9952 OH2 TIP3 2431 32.595 88.456 34.272 1.00 0.00 WT1 O ATOM 9953 H1 TIP3 2431 32.323 89.202 34.806 1.00 0.00 WT1 H ATOM 9954 H2 TIP3 2431 33.071 87.888 34.879 1.00 0.00 WT1 H ATOM 9955 OH2 TIP3 2432 74.846 0.740 14.254 1.00 0.00 WT1 O ATOM 9956 H1 TIP3 2432 74.207 0.319 13.679 1.00 0.00 WT1 H ATOM 9957 H2 TIP3 2432 75.577 0.123 14.293 1.00 0.00 WT1 H ATOM 9958 OH2 TIP3 2433 81.422 62.925 45.264 1.00 0.00 WT1 O ATOM 9959 H1 TIP3 2433 82.201 62.501 45.624 1.00 0.00 WT1 H ATOM 9960 H2 TIP3 2433 81.599 62.996 44.326 1.00 0.00 WT1 H ATOM 9961 OH2 TIP3 2434 36.621 24.292 57.764 1.00 0.00 WT1 O ATOM 9962 H1 TIP3 2434 37.467 23.975 57.449 1.00 0.00 WT1 H ATOM 9963 H2 TIP3 2434 36.687 24.244 58.718 1.00 0.00 WT1 H ATOM 9964 OH2 TIP3 2435 70.051 15.531 59.319 1.00 0.00 WT1 O ATOM 9965 H1 TIP3 2435 70.174 14.727 59.824 1.00 0.00 WT1 H ATOM 9966 H2 TIP3 2435 70.010 15.239 58.409 1.00 0.00 WT1 H ATOM 9967 OH2 TIP3 2436 47.567 21.801 66.327 1.00 0.00 WT1 O ATOM 9968 H1 TIP3 2436 47.658 22.530 65.712 1.00 0.00 WT1 H ATOM 9969 H2 TIP3 2436 47.804 21.027 65.817 1.00 0.00 WT1 H ATOM 9970 OH2 TIP3 2437 37.947 19.090 34.353 1.00 0.00 WT1 O ATOM 9971 H1 TIP3 2437 38.178 19.144 33.426 1.00 0.00 WT1 H ATOM 9972 H2 TIP3 2437 37.227 19.711 34.458 1.00 0.00 WT1 H ATOM 9973 OH2 TIP3 2438 42.332 27.445 2.533 1.00 0.00 WT1 O ATOM 9974 H1 TIP3 2438 43.229 27.110 2.525 1.00 0.00 WT1 H ATOM 9975 H2 TIP3 2438 42.420 28.373 2.317 1.00 0.00 WT1 H ATOM 9976 OH2 TIP3 2439 33.819 33.664 -12.114 1.00 0.00 WT1 O ATOM 9977 H1 TIP3 2439 34.027 33.653 -11.180 1.00 0.00 WT1 H ATOM 9978 H2 TIP3 2439 33.952 34.574 -12.379 1.00 0.00 WT1 H ATOM 9979 OH2 TIP3 2440 24.981 32.466 25.032 1.00 0.00 WT1 O ATOM 9980 H1 TIP3 2440 25.929 32.488 25.165 1.00 0.00 WT1 H ATOM 9981 H2 TIP3 2440 24.852 32.859 24.169 1.00 0.00 WT1 H ATOM 9982 OH2 TIP3 2441 29.384 30.802 29.707 1.00 0.00 WT1 O ATOM 9983 H1 TIP3 2441 28.558 31.103 30.084 1.00 0.00 WT1 H ATOM 9984 H2 TIP3 2441 29.874 31.605 29.530 1.00 0.00 WT1 H ATOM 9985 OH2 TIP3 2442 47.489 9.587 -1.267 1.00 0.00 WT1 O ATOM 9986 H1 TIP3 2442 47.262 10.513 -1.188 1.00 0.00 WT1 H ATOM 9987 H2 TIP3 2442 46.666 9.157 -1.499 1.00 0.00 WT1 H ATOM 9988 OH2 TIP3 2443 27.264 66.625 45.487 1.00 0.00 WT1 O ATOM 9989 H1 TIP3 2443 27.488 65.764 45.838 1.00 0.00 WT1 H ATOM 9990 H2 TIP3 2443 27.857 66.744 44.745 1.00 0.00 WT1 H ATOM 9991 OH2 TIP3 2444 58.265 79.035 50.461 1.00 0.00 WT1 O ATOM 9992 H1 TIP3 2444 57.822 79.389 51.233 1.00 0.00 WT1 H ATOM 9993 H2 TIP3 2444 57.824 79.450 49.720 1.00 0.00 WT1 H ATOM 9994 OH2 TIP3 2447 28.157 95.558 5.594 1.00 0.00 WT1 O ATOM 9995 H1 TIP3 2447 28.909 95.992 5.191 1.00 0.00 WT1 H ATOM 9996 H2 TIP3 2447 28.543 94.883 6.153 1.00 0.00 WT1 H ATOM 9997 OH2 TIP3 2449 87.822 45.642 50.691 1.00 0.00 WT1 O ATOM 9998 H1 TIP3 2449 87.789 46.414 51.256 1.00 0.00 WT1 H ATOM 9999 H2 TIP3 2449 88.512 45.097 51.069 1.00 0.00 WT1 H ATOM 10000 OH2 TIP3 2451 32.980 38.678 33.526 1.00 0.00 WT1 O ATOM 10001 H1 TIP3 2451 33.709 39.219 33.828 1.00 0.00 WT1 H ATOM 10002 H2 TIP3 2451 32.863 38.922 32.608 1.00 0.00 WT1 H ATOM 10003 OH2 TIP3 2453 52.314 16.307 18.837 1.00 0.00 WT1 O ATOM 10004 H1 TIP3 2453 52.787 17.094 18.567 1.00 0.00 WT1 H ATOM 10005 H2 TIP3 2453 51.723 16.607 19.527 1.00 0.00 WT1 H ATOM 10006 OH2 TIP3 2455 56.018 16.672 13.627 1.00 0.00 WT1 O ATOM 10007 H1 TIP3 2455 56.778 16.510 14.186 1.00 0.00 WT1 H ATOM 10008 H2 TIP3 2455 55.588 17.432 14.020 1.00 0.00 WT1 H ATOM 10009 OH2 TIP3 2456 36.886 32.701 38.496 1.00 0.00 WT1 O ATOM 10010 H1 TIP3 2456 36.526 33.175 37.746 1.00 0.00 WT1 H ATOM 10011 H2 TIP3 2456 37.830 32.688 38.341 1.00 0.00 WT1 H ATOM 10012 OH2 TIP3 2457 24.862 3.988 57.882 1.00 0.00 WT1 O ATOM 10013 H1 TIP3 2457 24.686 4.657 57.220 1.00 0.00 WT1 H ATOM 10014 H2 TIP3 2457 25.761 4.160 58.163 1.00 0.00 WT1 H ATOM 10015 OH2 TIP3 2458 64.678 65.369 55.970 1.00 0.00 WT1 O ATOM 10016 H1 TIP3 2458 65.016 65.571 55.098 1.00 0.00 WT1 H ATOM 10017 H2 TIP3 2458 64.803 66.177 56.469 1.00 0.00 WT1 H ATOM 10018 OH2 TIP3 2459 49.015 53.234 3.564 1.00 0.00 WT1 O ATOM 10019 H1 TIP3 2459 49.718 52.584 3.544 1.00 0.00 WT1 H ATOM 10020 H2 TIP3 2459 49.455 54.055 3.786 1.00 0.00 WT1 H ATOM 10021 OH2 TIP3 2460 26.183 40.532 0.351 1.00 0.00 WT1 O ATOM 10022 H1 TIP3 2460 26.387 41.364 0.776 1.00 0.00 WT1 H ATOM 10023 H2 TIP3 2460 25.226 40.506 0.319 1.00 0.00 WT1 H ATOM 10024 OH2 TIP3 2461 78.452 -0.047 66.115 1.00 0.00 WT1 O ATOM 10025 H1 TIP3 2461 77.792 0.625 66.285 1.00 0.00 WT1 H ATOM 10026 H2 TIP3 2461 79.272 0.439 66.029 1.00 0.00 WT1 H ATOM 10027 OH2 TIP3 2462 41.786 19.367 -12.523 1.00 0.00 WT1 O ATOM 10028 H1 TIP3 2462 41.993 19.923 -11.772 1.00 0.00 WT1 H ATOM 10029 H2 TIP3 2462 40.833 19.408 -12.597 1.00 0.00 WT1 H ATOM 10030 OH2 TIP3 2463 42.864 8.661 17.192 1.00 0.00 WT1 O ATOM 10031 H1 TIP3 2463 42.681 9.214 17.952 1.00 0.00 WT1 H ATOM 10032 H2 TIP3 2463 42.063 8.150 17.070 1.00 0.00 WT1 H ATOM 10033 OH2 TIP3 2464 62.146 16.394 -16.112 1.00 0.00 WT1 O ATOM 10034 H1 TIP3 2464 62.446 16.669 -16.978 1.00 0.00 WT1 H ATOM 10035 H2 TIP3 2464 61.549 17.089 -15.833 1.00 0.00 WT1 H ATOM 10036 OH2 TIP3 2465 39.193 96.664 30.302 1.00 0.00 WT1 O ATOM 10037 H1 TIP3 2465 40.149 96.690 30.257 1.00 0.00 WT1 H ATOM 10038 H2 TIP3 2465 39.003 96.404 31.204 1.00 0.00 WT1 H ATOM 10039 OH2 TIP3 2467 27.219 33.819 57.404 1.00 0.00 WT1 O ATOM 10040 H1 TIP3 2467 26.599 33.097 57.304 1.00 0.00 WT1 H ATOM 10041 H2 TIP3 2467 27.354 34.145 56.514 1.00 0.00 WT1 H ATOM 10042 OH2 TIP3 2468 89.493 1.422 61.908 1.00 0.00 WT1 O ATOM 10043 H1 TIP3 2468 89.992 2.070 61.410 1.00 0.00 WT1 H ATOM 10044 H2 TIP3 2468 89.010 1.937 62.555 1.00 0.00 WT1 H ATOM 10045 OH2 TIP3 2469 45.728 57.117 -13.851 1.00 0.00 WT1 O ATOM 10046 H1 TIP3 2469 46.618 57.419 -14.032 1.00 0.00 WT1 H ATOM 10047 H2 TIP3 2469 45.643 57.175 -12.900 1.00 0.00 WT1 H ATOM 10048 OH2 TIP3 2470 76.334 20.113 38.556 1.00 0.00 WT1 O ATOM 10049 H1 TIP3 2470 75.527 20.436 38.155 1.00 0.00 WT1 H ATOM 10050 H2 TIP3 2470 76.854 19.790 37.820 1.00 0.00 WT1 H ATOM 10051 OH2 TIP3 2471 47.996 77.853 63.588 1.00 0.00 WT1 O ATOM 10052 H1 TIP3 2471 48.411 77.025 63.345 1.00 0.00 WT1 H ATOM 10053 H2 TIP3 2471 48.125 77.917 64.534 1.00 0.00 WT1 H ATOM 10054 OH2 TIP3 2472 39.850 43.092 27.897 1.00 0.00 WT1 O ATOM 10055 H1 TIP3 2472 40.275 42.904 27.061 1.00 0.00 WT1 H ATOM 10056 H2 TIP3 2472 40.116 42.373 28.469 1.00 0.00 WT1 H ATOM 10057 OH2 TIP3 2473 67.713 7.766 40.760 1.00 0.00 WT1 O ATOM 10058 H1 TIP3 2473 67.067 8.133 41.364 1.00 0.00 WT1 H ATOM 10059 H2 TIP3 2473 67.878 8.468 40.131 1.00 0.00 WT1 H ATOM 10060 OH2 TIP3 2474 90.082 77.993 13.633 1.00 0.00 WT1 O ATOM 10061 H1 TIP3 2474 90.614 77.336 14.081 1.00 0.00 WT1 H ATOM 10062 H2 TIP3 2474 89.460 78.291 14.296 1.00 0.00 WT1 H ATOM 10063 OH2 TIP3 2475 21.902 12.715 66.201 1.00 0.00 WT1 O ATOM 10064 H1 TIP3 2475 22.127 11.801 66.375 1.00 0.00 WT1 H ATOM 10065 H2 TIP3 2475 21.313 12.957 66.916 1.00 0.00 WT1 H ATOM 10066 OH2 TIP3 2476 32.745 35.437 48.712 1.00 0.00 WT1 O ATOM 10067 H1 TIP3 2476 33.356 36.007 49.179 1.00 0.00 WT1 H ATOM 10068 H2 TIP3 2476 33.257 34.655 48.504 1.00 0.00 WT1 H ATOM 10069 OH2 TIP3 2479 20.282 64.071 39.284 1.00 0.00 WT1 O ATOM 10070 H1 TIP3 2479 20.967 63.807 39.898 1.00 0.00 WT1 H ATOM 10071 H2 TIP3 2479 20.519 64.962 39.028 1.00 0.00 WT1 H ATOM 10072 OH2 TIP3 2480 36.919 41.633 57.466 1.00 0.00 WT1 O ATOM 10073 H1 TIP3 2480 36.487 41.958 58.256 1.00 0.00 WT1 H ATOM 10074 H2 TIP3 2480 36.270 41.061 57.056 1.00 0.00 WT1 H ATOM 10075 OH2 TIP3 2481 59.464 28.526 55.263 1.00 0.00 WT1 O ATOM 10076 H1 TIP3 2481 58.517 28.443 55.375 1.00 0.00 WT1 H ATOM 10077 H2 TIP3 2481 59.588 28.602 54.317 1.00 0.00 WT1 H ATOM 10078 OH2 TIP3 2482 40.839 36.914 12.923 1.00 0.00 WT1 O ATOM 10079 H1 TIP3 2482 40.113 37.338 13.381 1.00 0.00 WT1 H ATOM 10080 H2 TIP3 2482 41.617 37.389 13.216 1.00 0.00 WT1 H ATOM 10081 OH2 TIP3 2483 82.395 64.977 54.464 1.00 0.00 WT1 O ATOM 10082 H1 TIP3 2483 81.981 65.782 54.152 1.00 0.00 WT1 H ATOM 10083 H2 TIP3 2483 81.812 64.277 54.171 1.00 0.00 WT1 H ATOM 10084 OH2 TIP3 2484 65.781 90.201 13.883 1.00 0.00 WT1 O ATOM 10085 H1 TIP3 2484 66.132 89.616 13.212 1.00 0.00 WT1 H ATOM 10086 H2 TIP3 2484 64.982 89.768 14.186 1.00 0.00 WT1 H ATOM 10087 OH2 TIP3 2487 84.256 18.248 50.794 1.00 0.00 WT1 O ATOM 10088 H1 TIP3 2487 85.067 18.117 50.304 1.00 0.00 WT1 H ATOM 10089 H2 TIP3 2487 84.540 18.376 51.699 1.00 0.00 WT1 H ATOM 10090 OH2 TIP3 2488 34.247 19.130 21.794 1.00 0.00 WT1 O ATOM 10091 H1 TIP3 2488 35.100 18.704 21.877 1.00 0.00 WT1 H ATOM 10092 H2 TIP3 2488 33.672 18.452 21.440 1.00 0.00 WT1 H ATOM 10093 OH2 TIP3 2489 75.520 52.971 -5.748 1.00 0.00 WT1 O ATOM 10094 H1 TIP3 2489 75.580 52.621 -4.859 1.00 0.00 WT1 H ATOM 10095 H2 TIP3 2489 76.254 52.570 -6.213 1.00 0.00 WT1 H ATOM 10096 OH2 TIP3 2492 48.037 11.827 1.804 1.00 0.00 WT1 O ATOM 10097 H1 TIP3 2492 48.164 12.775 1.833 1.00 0.00 WT1 H ATOM 10098 H2 TIP3 2492 47.721 11.600 2.679 1.00 0.00 WT1 H ATOM 10099 OH2 TIP3 2493 82.031 29.829 12.532 1.00 0.00 WT1 O ATOM 10100 H1 TIP3 2493 81.877 30.189 11.659 1.00 0.00 WT1 H ATOM 10101 H2 TIP3 2493 81.240 29.325 12.726 1.00 0.00 WT1 H ATOM 10102 OH2 TIP3 2494 65.712 65.588 53.498 1.00 0.00 WT1 O ATOM 10103 H1 TIP3 2494 66.455 65.075 53.182 1.00 0.00 WT1 H ATOM 10104 H2 TIP3 2494 65.293 65.918 52.703 1.00 0.00 WT1 H ATOM 10105 OH2 TIP3 2495 27.964 94.277 0.423 1.00 0.00 WT1 O ATOM 10106 H1 TIP3 2495 27.183 94.652 0.018 1.00 0.00 WT1 H ATOM 10107 H2 TIP3 2495 28.250 93.599 -0.188 1.00 0.00 WT1 H ATOM 10108 OH2 TIP3 2496 36.361 46.701 57.601 1.00 0.00 WT1 O ATOM 10109 H1 TIP3 2496 36.572 46.421 58.492 1.00 0.00 WT1 H ATOM 10110 H2 TIP3 2496 37.202 46.708 57.145 1.00 0.00 WT1 H ATOM 10111 OH2 TIP3 2497 57.536 48.240 35.391 1.00 0.00 WT1 O ATOM 10112 H1 TIP3 2497 57.150 48.696 36.139 1.00 0.00 WT1 H ATOM 10113 H2 TIP3 2497 57.411 48.838 34.655 1.00 0.00 WT1 H ATOM 10114 OH2 TIP3 2498 84.046 40.131 60.221 1.00 0.00 WT1 O ATOM 10115 H1 TIP3 2498 84.652 39.411 60.397 1.00 0.00 WT1 H ATOM 10116 H2 TIP3 2498 83.283 39.940 60.766 1.00 0.00 WT1 H ATOM 10117 OH2 TIP3 2499 74.702 46.062 39.267 1.00 0.00 WT1 O ATOM 10118 H1 TIP3 2499 75.024 45.349 39.817 1.00 0.00 WT1 H ATOM 10119 H2 TIP3 2499 75.464 46.626 39.134 1.00 0.00 WT1 H ATOM 10120 OH2 TIP3 2500 75.898 83.846 27.138 1.00 0.00 WT1 O ATOM 10121 H1 TIP3 2500 76.169 84.259 27.958 1.00 0.00 WT1 H ATOM 10122 H2 TIP3 2500 74.965 84.045 27.065 1.00 0.00 WT1 H ATOM 10123 OH2 TIP3 2501 83.238 0.584 65.365 1.00 0.00 WT1 O ATOM 10124 H1 TIP3 2501 83.559 -0.271 65.653 1.00 0.00 WT1 H ATOM 10125 H2 TIP3 2501 83.190 1.105 66.167 1.00 0.00 WT1 H ATOM 10126 OH2 TIP3 2502 55.401 52.060 -8.582 1.00 0.00 WT1 O ATOM 10127 H1 TIP3 2502 55.701 51.654 -7.768 1.00 0.00 WT1 H ATOM 10128 H2 TIP3 2502 54.639 52.578 -8.325 1.00 0.00 WT1 H ATOM 10129 OH2 TIP3 2503 68.213 41.675 -11.749 1.00 0.00 WT1 O ATOM 10130 H1 TIP3 2503 68.043 42.097 -12.591 1.00 0.00 WT1 H ATOM 10131 H2 TIP3 2503 67.728 40.851 -11.792 1.00 0.00 WT1 H ATOM 10132 OH2 TIP3 2505 24.591 90.443 -11.183 1.00 0.00 WT1 O ATOM 10133 H1 TIP3 2505 25.379 90.454 -11.727 1.00 0.00 WT1 H ATOM 10134 H2 TIP3 2505 23.911 90.084 -11.753 1.00 0.00 WT1 H ATOM 10135 OH2 TIP3 2506 74.912 44.819 51.657 1.00 0.00 WT1 O ATOM 10136 H1 TIP3 2506 74.707 45.750 51.575 1.00 0.00 WT1 H ATOM 10137 H2 TIP3 2506 74.207 44.375 51.187 1.00 0.00 WT1 H ATOM 10138 OH2 TIP3 2508 24.608 78.151 15.741 1.00 0.00 WT1 O ATOM 10139 H1 TIP3 2508 23.705 78.326 16.008 1.00 0.00 WT1 H ATOM 10140 H2 TIP3 2508 24.864 77.383 16.252 1.00 0.00 WT1 H ATOM 10141 OH2 TIP3 2510 35.508 47.000 32.829 1.00 0.00 WT1 O ATOM 10142 H1 TIP3 2510 36.397 47.076 32.483 1.00 0.00 WT1 H ATOM 10143 H2 TIP3 2510 35.403 46.067 33.015 1.00 0.00 WT1 H ATOM 10144 OH2 TIP3 2511 24.598 45.007 25.930 1.00 0.00 WT1 O ATOM 10145 H1 TIP3 2511 24.851 44.959 26.852 1.00 0.00 WT1 H ATOM 10146 H2 TIP3 2511 23.649 44.885 25.935 1.00 0.00 WT1 H ATOM 10147 OH2 TIP3 2512 70.754 67.024 2.100 1.00 0.00 WT1 O ATOM 10148 H1 TIP3 2512 70.575 66.460 2.853 1.00 0.00 WT1 H ATOM 10149 H2 TIP3 2512 70.024 67.642 2.083 1.00 0.00 WT1 H ATOM 10150 OH2 TIP3 2515 36.446 91.271 46.444 1.00 0.00 WT1 O ATOM 10151 H1 TIP3 2515 36.096 92.146 46.614 1.00 0.00 WT1 H ATOM 10152 H2 TIP3 2515 37.206 91.422 45.883 1.00 0.00 WT1 H ATOM 10153 OH2 TIP3 2517 32.447 51.880 -10.235 1.00 0.00 WT1 O ATOM 10154 H1 TIP3 2517 32.881 52.624 -9.817 1.00 0.00 WT1 H ATOM 10155 H2 TIP3 2517 31.626 52.240 -10.573 1.00 0.00 WT1 H ATOM 10156 OH2 TIP3 2518 21.406 63.917 13.793 1.00 0.00 WT1 O ATOM 10157 H1 TIP3 2518 21.867 64.034 14.624 1.00 0.00 WT1 H ATOM 10158 H2 TIP3 2518 21.187 64.806 13.513 1.00 0.00 WT1 H ATOM 10159 OH2 TIP3 2519 30.290 8.555 13.601 1.00 0.00 WT1 O ATOM 10160 H1 TIP3 2519 29.989 8.581 14.509 1.00 0.00 WT1 H ATOM 10161 H2 TIP3 2519 29.512 8.318 13.097 1.00 0.00 WT1 H ATOM 10162 OH2 TIP3 2521 26.536 31.573 6.234 1.00 0.00 WT1 O ATOM 10163 H1 TIP3 2521 25.658 31.683 5.869 1.00 0.00 WT1 H ATOM 10164 H2 TIP3 2521 26.630 32.296 6.854 1.00 0.00 WT1 H ATOM 10165 OH2 TIP3 2522 42.208 35.037 33.756 1.00 0.00 WT1 O ATOM 10166 H1 TIP3 2522 42.569 35.362 32.931 1.00 0.00 WT1 H ATOM 10167 H2 TIP3 2522 41.694 35.768 34.098 1.00 0.00 WT1 H ATOM 10168 OH2 TIP3 2523 40.087 70.304 -0.269 1.00 0.00 WT1 O ATOM 10169 H1 TIP3 2523 40.735 69.718 0.123 1.00 0.00 WT1 H ATOM 10170 H2 TIP3 2523 39.448 70.455 0.427 1.00 0.00 WT1 H ATOM 10171 OH2 TIP3 2525 65.718 9.252 52.222 1.00 0.00 WT1 O ATOM 10172 H1 TIP3 2525 65.713 9.627 51.341 1.00 0.00 WT1 H ATOM 10173 H2 TIP3 2525 66.382 9.755 52.693 1.00 0.00 WT1 H ATOM 10174 OH2 TIP3 2526 76.917 87.239 46.803 1.00 0.00 WT1 O ATOM 10175 H1 TIP3 2526 76.549 87.985 47.276 1.00 0.00 WT1 H ATOM 10176 H2 TIP3 2526 76.543 87.303 45.924 1.00 0.00 WT1 H ATOM 10177 OH2 TIP3 2527 44.102 37.209 37.002 1.00 0.00 WT1 O ATOM 10178 H1 TIP3 2527 43.194 37.393 36.762 1.00 0.00 WT1 H ATOM 10179 H2 TIP3 2527 44.564 37.145 36.167 1.00 0.00 WT1 H ATOM 10180 OH2 TIP3 2528 72.670 66.535 48.722 1.00 0.00 WT1 O ATOM 10181 H1 TIP3 2528 72.638 65.965 47.954 1.00 0.00 WT1 H ATOM 10182 H2 TIP3 2528 73.350 67.176 48.516 1.00 0.00 WT1 H ATOM 10183 OH2 TIP3 2529 27.159 29.352 4.875 1.00 0.00 WT1 O ATOM 10184 H1 TIP3 2529 26.382 28.929 4.511 1.00 0.00 WT1 H ATOM 10185 H2 TIP3 2529 26.815 29.992 5.498 1.00 0.00 WT1 H ATOM 10186 OH2 TIP3 2530 65.663 16.085 63.044 1.00 0.00 WT1 O ATOM 10187 H1 TIP3 2530 65.257 16.738 62.475 1.00 0.00 WT1 H ATOM 10188 H2 TIP3 2530 65.138 16.104 63.844 1.00 0.00 WT1 H ATOM 10189 OH2 TIP3 2532 39.828 62.563 -9.216 1.00 0.00 WT1 O ATOM 10190 H1 TIP3 2532 39.433 62.509 -8.345 1.00 0.00 WT1 H ATOM 10191 H2 TIP3 2532 40.693 62.945 -9.064 1.00 0.00 WT1 H ATOM 10192 OH2 TIP3 2533 66.508 75.180 36.136 1.00 0.00 WT1 O ATOM 10193 H1 TIP3 2533 66.004 74.887 35.377 1.00 0.00 WT1 H ATOM 10194 H2 TIP3 2533 66.439 76.134 36.116 1.00 0.00 WT1 H ATOM 10195 OH2 TIP3 2535 47.634 14.246 28.794 1.00 0.00 WT1 O ATOM 10196 H1 TIP3 2535 48.276 13.559 28.968 1.00 0.00 WT1 H ATOM 10197 H2 TIP3 2535 47.980 14.709 28.031 1.00 0.00 WT1 H ATOM 10198 OH2 TIP3 2536 34.418 29.935 67.226 1.00 0.00 WT1 O ATOM 10199 H1 TIP3 2536 33.888 30.257 66.497 1.00 0.00 WT1 H ATOM 10200 H2 TIP3 2536 35.226 30.448 67.180 1.00 0.00 WT1 H ATOM 10201 OH2 TIP3 2537 50.129 49.308 -12.752 1.00 0.00 WT1 O ATOM 10202 H1 TIP3 2537 49.596 50.060 -13.009 1.00 0.00 WT1 H ATOM 10203 H2 TIP3 2537 50.655 49.626 -12.018 1.00 0.00 WT1 H ATOM 10204 OH2 TIP3 2538 52.265 38.404 21.120 1.00 0.00 WT1 O ATOM 10205 H1 TIP3 2538 53.205 38.586 21.090 1.00 0.00 WT1 H ATOM 10206 H2 TIP3 2538 51.905 38.880 20.372 1.00 0.00 WT1 H ATOM 10207 OH2 TIP3 2539 90.209 29.193 57.534 1.00 0.00 WT1 O ATOM 10208 H1 TIP3 2539 91.022 29.325 57.045 1.00 0.00 WT1 H ATOM 10209 H2 TIP3 2539 90.186 28.252 57.709 1.00 0.00 WT1 H ATOM 10210 OH2 TIP3 2540 62.706 32.260 -19.731 1.00 0.00 WT1 O ATOM 10211 H1 TIP3 2540 62.519 32.379 -18.800 1.00 0.00 WT1 H ATOM 10212 H2 TIP3 2540 62.203 32.948 -20.167 1.00 0.00 WT1 H ATOM 10213 OH2 TIP3 2541 46.889 3.533 33.033 1.00 0.00 WT1 O ATOM 10214 H1 TIP3 2541 47.731 3.286 33.414 1.00 0.00 WT1 H ATOM 10215 H2 TIP3 2541 46.956 3.274 32.114 1.00 0.00 WT1 H ATOM 10216 OH2 TIP3 2542 36.809 89.869 1.372 1.00 0.00 WT1 O ATOM 10217 H1 TIP3 2542 36.237 90.041 2.121 1.00 0.00 WT1 H ATOM 10218 H2 TIP3 2542 37.202 89.017 1.561 1.00 0.00 WT1 H ATOM 10219 OH2 TIP3 2543 74.128 21.140 5.311 1.00 0.00 WT1 O ATOM 10220 H1 TIP3 2543 74.938 21.638 5.422 1.00 0.00 WT1 H ATOM 10221 H2 TIP3 2543 73.639 21.624 4.645 1.00 0.00 WT1 H ATOM 10222 OH2 TIP3 2544 85.281 35.602 11.963 1.00 0.00 WT1 O ATOM 10223 H1 TIP3 2544 85.263 35.321 11.048 1.00 0.00 WT1 H ATOM 10224 H2 TIP3 2544 84.507 36.156 12.059 1.00 0.00 WT1 H ATOM 10225 OH2 TIP3 2545 56.684 55.803 26.004 1.00 0.00 WT1 O ATOM 10226 H1 TIP3 2545 56.319 55.081 26.517 1.00 0.00 WT1 H ATOM 10227 H2 TIP3 2545 56.190 56.572 26.288 1.00 0.00 WT1 H ATOM 10228 OH2 TIP3 2546 25.352 56.612 -11.110 1.00 0.00 WT1 O ATOM 10229 H1 TIP3 2546 24.437 56.641 -10.831 1.00 0.00 WT1 H ATOM 10230 H2 TIP3 2546 25.822 57.111 -10.441 1.00 0.00 WT1 H ATOM 10231 OH2 TIP3 2547 34.204 36.985 -16.399 1.00 0.00 WT1 O ATOM 10232 H1 TIP3 2547 34.881 36.503 -16.874 1.00 0.00 WT1 H ATOM 10233 H2 TIP3 2547 34.545 37.876 -16.331 1.00 0.00 WT1 H ATOM 10234 OH2 TIP3 2548 38.396 41.241 -5.102 1.00 0.00 WT1 O ATOM 10235 H1 TIP3 2548 37.584 41.143 -5.599 1.00 0.00 WT1 H ATOM 10236 H2 TIP3 2548 38.554 42.185 -5.083 1.00 0.00 WT1 H ATOM 10237 OH2 TIP3 2549 22.381 71.625 13.353 1.00 0.00 WT1 O ATOM 10238 H1 TIP3 2549 22.435 71.681 14.307 1.00 0.00 WT1 H ATOM 10239 H2 TIP3 2549 21.900 70.814 13.187 1.00 0.00 WT1 H ATOM 10240 OH2 TIP3 2550 52.665 52.226 26.549 1.00 0.00 WT1 O ATOM 10241 H1 TIP3 2550 53.142 51.726 25.887 1.00 0.00 WT1 H ATOM 10242 H2 TIP3 2550 51.760 51.922 26.474 1.00 0.00 WT1 H ATOM 10243 OH2 TIP3 2551 79.662 41.148 50.732 1.00 0.00 WT1 O ATOM 10244 H1 TIP3 2551 79.174 40.432 50.325 1.00 0.00 WT1 H ATOM 10245 H2 TIP3 2551 79.833 40.846 51.624 1.00 0.00 WT1 H ATOM 10246 OH2 TIP3 2552 71.084 76.589 61.797 1.00 0.00 WT1 O ATOM 10247 H1 TIP3 2552 70.858 75.749 62.195 1.00 0.00 WT1 H ATOM 10248 H2 TIP3 2552 71.897 76.418 61.321 1.00 0.00 WT1 H ATOM 10249 OH2 TIP3 2553 33.704 48.925 -6.870 1.00 0.00 WT1 O ATOM 10250 H1 TIP3 2553 34.334 49.382 -7.428 1.00 0.00 WT1 H ATOM 10251 H2 TIP3 2553 33.576 49.512 -6.124 1.00 0.00 WT1 H ATOM 10252 OH2 TIP3 2554 50.960 57.419 -12.044 1.00 0.00 WT1 O ATOM 10253 H1 TIP3 2554 51.274 58.287 -12.296 1.00 0.00 WT1 H ATOM 10254 H2 TIP3 2554 50.925 56.929 -12.866 1.00 0.00 WT1 H ATOM 10255 OH2 TIP3 2556 77.828 59.520 44.498 1.00 0.00 WT1 O ATOM 10256 H1 TIP3 2556 78.569 59.519 43.891 1.00 0.00 WT1 H ATOM 10257 H2 TIP3 2556 78.058 60.177 45.155 1.00 0.00 WT1 H ATOM 10258 OH2 TIP3 2557 86.729 59.771 12.582 1.00 0.00 WT1 O ATOM 10259 H1 TIP3 2557 87.367 59.549 13.260 1.00 0.00 WT1 H ATOM 10260 H2 TIP3 2557 87.218 60.307 11.957 1.00 0.00 WT1 H ATOM 10261 OH2 TIP3 2559 62.746 17.259 8.155 1.00 0.00 WT1 O ATOM 10262 H1 TIP3 2559 63.060 17.842 8.847 1.00 0.00 WT1 H ATOM 10263 H2 TIP3 2559 63.514 16.747 7.906 1.00 0.00 WT1 H ATOM 10264 OH2 TIP3 2560 81.833 15.757 -8.693 1.00 0.00 WT1 O ATOM 10265 H1 TIP3 2560 82.026 14.992 -8.152 1.00 0.00 WT1 H ATOM 10266 H2 TIP3 2560 82.022 15.472 -9.588 1.00 0.00 WT1 H ATOM 10267 OH2 TIP3 2561 32.717 33.606 -5.460 1.00 0.00 WT1 O ATOM 10268 H1 TIP3 2561 31.952 34.157 -5.628 1.00 0.00 WT1 H ATOM 10269 H2 TIP3 2561 32.638 33.361 -4.538 1.00 0.00 WT1 H ATOM 10270 OH2 TIP3 2562 56.825 27.236 60.364 1.00 0.00 WT1 O ATOM 10271 H1 TIP3 2562 57.176 27.818 59.690 1.00 0.00 WT1 H ATOM 10272 H2 TIP3 2562 55.898 27.146 60.145 1.00 0.00 WT1 H ATOM 10273 OH2 TIP3 2563 78.977 56.452 41.116 1.00 0.00 WT1 O ATOM 10274 H1 TIP3 2563 78.331 56.307 40.426 1.00 0.00 WT1 H ATOM 10275 H2 TIP3 2563 78.756 57.311 41.476 1.00 0.00 WT1 H ATOM 10276 OH2 TIP3 2564 81.453 39.467 26.335 1.00 0.00 WT1 O ATOM 10277 H1 TIP3 2564 81.698 38.563 26.138 1.00 0.00 WT1 H ATOM 10278 H2 TIP3 2564 80.498 39.479 26.261 1.00 0.00 WT1 H ATOM 10279 OH2 TIP3 2565 59.344 44.648 -14.891 1.00 0.00 WT1 O ATOM 10280 H1 TIP3 2565 60.261 44.674 -15.163 1.00 0.00 WT1 H ATOM 10281 H2 TIP3 2565 59.372 44.750 -13.940 1.00 0.00 WT1 H ATOM 10282 OH2 TIP3 2566 77.127 47.097 -15.984 1.00 0.00 WT1 O ATOM 10283 H1 TIP3 2566 77.495 46.784 -15.158 1.00 0.00 WT1 H ATOM 10284 H2 TIP3 2566 76.364 47.614 -15.726 1.00 0.00 WT1 H ATOM 10285 OH2 TIP3 2567 29.979 32.351 -8.051 1.00 0.00 WT1 O ATOM 10286 H1 TIP3 2567 29.679 32.229 -8.951 1.00 0.00 WT1 H ATOM 10287 H2 TIP3 2567 29.460 31.732 -7.538 1.00 0.00 WT1 H ATOM 10288 OH2 TIP3 2568 41.292 38.709 30.833 1.00 0.00 WT1 O ATOM 10289 H1 TIP3 2568 42.212 38.661 30.576 1.00 0.00 WT1 H ATOM 10290 H2 TIP3 2568 41.145 39.635 31.028 1.00 0.00 WT1 H ATOM 10291 OH2 TIP3 2569 33.709 61.117 8.072 1.00 0.00 WT1 O ATOM 10292 H1 TIP3 2569 33.492 60.258 8.437 1.00 0.00 WT1 H ATOM 10293 H2 TIP3 2569 34.291 61.513 8.720 1.00 0.00 WT1 H ATOM 10294 OH2 TIP3 2570 71.692 51.029 -8.776 1.00 0.00 WT1 O ATOM 10295 H1 TIP3 2570 72.104 51.511 -8.059 1.00 0.00 WT1 H ATOM 10296 H2 TIP3 2570 71.787 50.109 -8.532 1.00 0.00 WT1 H ATOM 10297 OH2 TIP3 2571 37.752 77.529 -4.562 1.00 0.00 WT1 O ATOM 10298 H1 TIP3 2571 38.553 77.964 -4.269 1.00 0.00 WT1 H ATOM 10299 H2 TIP3 2571 37.802 76.652 -4.182 1.00 0.00 WT1 H ATOM 10300 OH2 TIP3 2572 33.164 24.007 1.159 1.00 0.00 WT1 O ATOM 10301 H1 TIP3 2572 32.269 23.722 0.977 1.00 0.00 WT1 H ATOM 10302 H2 TIP3 2572 33.111 24.963 1.178 1.00 0.00 WT1 H ATOM 10303 OH2 TIP3 2573 34.571 66.215 -15.869 1.00 0.00 WT1 O ATOM 10304 H1 TIP3 2573 34.873 65.919 -15.011 1.00 0.00 WT1 H ATOM 10305 H2 TIP3 2573 34.931 67.097 -15.959 1.00 0.00 WT1 H ATOM 10306 OH2 TIP3 2574 41.620 91.406 8.998 1.00 0.00 WT1 O ATOM 10307 H1 TIP3 2574 40.926 90.777 9.197 1.00 0.00 WT1 H ATOM 10308 H2 TIP3 2574 42.412 90.873 8.920 1.00 0.00 WT1 H ATOM 10309 OH2 TIP3 2577 75.689 79.232 -17.713 1.00 0.00 WT1 O ATOM 10310 H1 TIP3 2577 75.744 78.331 -17.394 1.00 0.00 WT1 H ATOM 10311 H2 TIP3 2577 75.493 79.144 -18.646 1.00 0.00 WT1 H ATOM 10312 OH2 TIP3 2578 36.232 83.041 46.665 1.00 0.00 WT1 O ATOM 10313 H1 TIP3 2578 36.697 83.614 46.055 1.00 0.00 WT1 H ATOM 10314 H2 TIP3 2578 35.315 83.098 46.396 1.00 0.00 WT1 H ATOM 10315 OH2 TIP3 2580 55.284 51.778 57.883 1.00 0.00 WT1 O ATOM 10316 H1 TIP3 2580 55.051 51.839 56.957 1.00 0.00 WT1 H ATOM 10317 H2 TIP3 2580 55.683 50.913 57.974 1.00 0.00 WT1 H ATOM 10318 OH2 TIP3 2581 44.954 49.510 0.584 1.00 0.00 WT1 O ATOM 10319 H1 TIP3 2581 44.293 50.009 1.063 1.00 0.00 WT1 H ATOM 10320 H2 TIP3 2581 45.762 49.642 1.081 1.00 0.00 WT1 H ATOM 10321 OH2 TIP3 2582 62.606 26.846 13.836 1.00 0.00 WT1 O ATOM 10322 H1 TIP3 2582 61.829 27.016 14.369 1.00 0.00 WT1 H ATOM 10323 H2 TIP3 2582 63.338 26.923 14.448 1.00 0.00 WT1 H ATOM 10324 OH2 TIP3 2583 35.815 41.909 21.103 1.00 0.00 WT1 O ATOM 10325 H1 TIP3 2583 36.594 41.539 21.518 1.00 0.00 WT1 H ATOM 10326 H2 TIP3 2583 35.888 41.652 20.184 1.00 0.00 WT1 H ATOM 10327 OH2 TIP3 2584 36.460 9.181 65.727 1.00 0.00 WT1 O ATOM 10328 H1 TIP3 2584 37.345 8.825 65.799 1.00 0.00 WT1 H ATOM 10329 H2 TIP3 2584 35.948 8.682 66.363 1.00 0.00 WT1 H ATOM 10330 OH2 TIP3 2585 34.050 39.606 8.554 1.00 0.00 WT1 O ATOM 10331 H1 TIP3 2585 33.857 39.570 9.490 1.00 0.00 WT1 H ATOM 10332 H2 TIP3 2585 34.131 40.540 8.360 1.00 0.00 WT1 H ATOM 10333 OH2 TIP3 2587 45.381 77.537 24.021 1.00 0.00 WT1 O ATOM 10334 H1 TIP3 2587 46.246 77.692 23.641 1.00 0.00 WT1 H ATOM 10335 H2 TIP3 2587 45.541 76.923 24.738 1.00 0.00 WT1 H ATOM 10336 OH2 TIP3 2588 30.857 65.237 58.880 1.00 0.00 WT1 O ATOM 10337 H1 TIP3 2588 30.842 64.568 59.564 1.00 0.00 WT1 H ATOM 10338 H2 TIP3 2588 30.405 65.987 59.268 1.00 0.00 WT1 H ATOM 10339 OH2 TIP3 2589 23.095 18.890 55.886 1.00 0.00 WT1 O ATOM 10340 H1 TIP3 2589 22.271 18.515 55.575 1.00 0.00 WT1 H ATOM 10341 H2 TIP3 2589 22.834 19.671 56.375 1.00 0.00 WT1 H ATOM 10342 OH2 TIP3 2590 35.099 8.705 14.852 1.00 0.00 WT1 O ATOM 10343 H1 TIP3 2590 34.457 9.317 15.212 1.00 0.00 WT1 H ATOM 10344 H2 TIP3 2590 35.055 7.943 15.430 1.00 0.00 WT1 H ATOM 10345 OH2 TIP3 2591 72.928 27.110 28.375 1.00 0.00 WT1 O ATOM 10346 H1 TIP3 2591 73.523 26.402 28.622 1.00 0.00 WT1 H ATOM 10347 H2 TIP3 2591 73.352 27.904 28.700 1.00 0.00 WT1 H ATOM 10348 OH2 TIP3 2592 34.911 35.732 43.841 1.00 0.00 WT1 O ATOM 10349 H1 TIP3 2592 35.738 35.256 43.910 1.00 0.00 WT1 H ATOM 10350 H2 TIP3 2592 35.054 36.535 44.341 1.00 0.00 WT1 H ATOM 10351 OH2 TIP3 2594 39.531 52.091 17.649 1.00 0.00 WT1 O ATOM 10352 H1 TIP3 2594 39.565 53.015 17.897 1.00 0.00 WT1 H ATOM 10353 H2 TIP3 2594 40.274 51.693 18.103 1.00 0.00 WT1 H ATOM 10354 OH2 TIP3 2595 52.716 66.997 17.387 1.00 0.00 WT1 O ATOM 10355 H1 TIP3 2595 52.084 67.701 17.530 1.00 0.00 WT1 H ATOM 10356 H2 TIP3 2595 52.513 66.668 16.511 1.00 0.00 WT1 H ATOM 10357 OH2 TIP3 2597 46.976 37.994 -3.703 1.00 0.00 WT1 O ATOM 10358 H1 TIP3 2597 47.625 38.642 -3.428 1.00 0.00 WT1 H ATOM 10359 H2 TIP3 2597 46.579 37.691 -2.887 1.00 0.00 WT1 H ATOM 10360 OH2 TIP3 2598 67.105 43.647 25.204 1.00 0.00 WT1 O ATOM 10361 H1 TIP3 2598 66.666 43.310 24.423 1.00 0.00 WT1 H ATOM 10362 H2 TIP3 2598 66.486 44.276 25.574 1.00 0.00 WT1 H ATOM 10363 OH2 TIP3 2599 79.850 63.191 19.307 1.00 0.00 WT1 O ATOM 10364 H1 TIP3 2599 79.774 63.754 20.078 1.00 0.00 WT1 H ATOM 10365 H2 TIP3 2599 79.035 63.333 18.825 1.00 0.00 WT1 H ATOM 10366 OH2 TIP3 2600 63.493 19.090 -17.422 1.00 0.00 WT1 O ATOM 10367 H1 TIP3 2600 63.752 19.220 -16.510 1.00 0.00 WT1 H ATOM 10368 H2 TIP3 2600 64.084 19.653 -17.923 1.00 0.00 WT1 H ATOM 10369 OH2 TIP3 2601 66.113 86.568 15.506 1.00 0.00 WT1 O ATOM 10370 H1 TIP3 2601 65.797 87.271 14.938 1.00 0.00 WT1 H ATOM 10371 H2 TIP3 2601 65.828 85.764 15.073 1.00 0.00 WT1 H ATOM 10372 OH2 TIP3 2602 38.321 64.237 64.369 1.00 0.00 WT1 O ATOM 10373 H1 TIP3 2602 37.828 63.492 64.713 1.00 0.00 WT1 H ATOM 10374 H2 TIP3 2602 39.219 63.916 64.292 1.00 0.00 WT1 H ATOM 10375 OH2 TIP3 2603 65.772 68.189 42.858 1.00 0.00 WT1 O ATOM 10376 H1 TIP3 2603 66.335 68.196 42.084 1.00 0.00 WT1 H ATOM 10377 H2 TIP3 2603 65.911 67.326 43.248 1.00 0.00 WT1 H ATOM 10378 OH2 TIP3 2605 59.584 45.414 38.994 1.00 0.00 WT1 O ATOM 10379 H1 TIP3 2605 59.475 45.518 38.049 1.00 0.00 WT1 H ATOM 10380 H2 TIP3 2605 58.878 45.936 39.376 1.00 0.00 WT1 H ATOM 10381 OH2 TIP3 2606 60.855 11.146 9.826 1.00 0.00 WT1 O ATOM 10382 H1 TIP3 2606 60.404 10.777 9.067 1.00 0.00 WT1 H ATOM 10383 H2 TIP3 2606 60.251 11.806 10.167 1.00 0.00 WT1 H ATOM 10384 OH2 TIP3 2607 50.081 74.196 4.978 1.00 0.00 WT1 O ATOM 10385 H1 TIP3 2607 50.022 73.242 5.040 1.00 0.00 WT1 H ATOM 10386 H2 TIP3 2607 50.672 74.447 5.687 1.00 0.00 WT1 H ATOM 10387 OH2 TIP3 2608 75.053 75.065 61.872 1.00 0.00 WT1 O ATOM 10388 H1 TIP3 2608 74.756 74.553 62.624 1.00 0.00 WT1 H ATOM 10389 H2 TIP3 2608 75.309 75.909 62.242 1.00 0.00 WT1 H ATOM 10390 OH2 TIP3 2609 43.622 24.030 -8.886 1.00 0.00 WT1 O ATOM 10391 H1 TIP3 2609 43.422 24.324 -7.997 1.00 0.00 WT1 H ATOM 10392 H2 TIP3 2609 43.992 24.801 -9.316 1.00 0.00 WT1 H ATOM 10393 OH2 TIP3 2610 51.902 3.317 11.290 1.00 0.00 WT1 O ATOM 10394 H1 TIP3 2610 51.429 2.641 11.776 1.00 0.00 WT1 H ATOM 10395 H2 TIP3 2610 52.789 2.970 11.198 1.00 0.00 WT1 H ATOM 10396 OH2 TIP3 2611 30.968 28.960 31.518 1.00 0.00 WT1 O ATOM 10397 H1 TIP3 2611 31.758 29.467 31.327 1.00 0.00 WT1 H ATOM 10398 H2 TIP3 2611 30.270 29.419 31.049 1.00 0.00 WT1 H ATOM 10399 OH2 TIP3 2612 44.333 54.824 12.020 1.00 0.00 WT1 O ATOM 10400 H1 TIP3 2612 45.187 55.229 11.871 1.00 0.00 WT1 H ATOM 10401 H2 TIP3 2612 43.827 55.494 12.479 1.00 0.00 WT1 H ATOM 10402 OH2 TIP3 2613 89.818 55.321 -15.035 1.00 0.00 WT1 O ATOM 10403 H1 TIP3 2613 90.738 55.560 -14.931 1.00 0.00 WT1 H ATOM 10404 H2 TIP3 2613 89.801 54.763 -15.812 1.00 0.00 WT1 H ATOM 10405 OH2 TIP3 2614 54.442 54.279 15.878 1.00 0.00 WT1 O ATOM 10406 H1 TIP3 2614 55.282 53.839 16.009 1.00 0.00 WT1 H ATOM 10407 H2 TIP3 2614 53.874 53.606 15.503 1.00 0.00 WT1 H ATOM 10408 OH2 TIP3 2615 19.969 44.105 20.973 1.00 0.00 WT1 O ATOM 10409 H1 TIP3 2615 20.645 43.438 21.094 1.00 0.00 WT1 H ATOM 10410 H2 TIP3 2615 20.211 44.548 20.160 1.00 0.00 WT1 H ATOM 10411 OH2 TIP3 2616 77.277 38.758 59.605 1.00 0.00 WT1 O ATOM 10412 H1 TIP3 2616 77.323 38.428 58.708 1.00 0.00 WT1 H ATOM 10413 H2 TIP3 2616 76.387 38.551 59.892 1.00 0.00 WT1 H ATOM 10414 OH2 TIP3 2617 42.989 80.076 50.783 1.00 0.00 WT1 O ATOM 10415 H1 TIP3 2617 42.439 80.548 50.159 1.00 0.00 WT1 H ATOM 10416 H2 TIP3 2617 42.448 79.341 51.072 1.00 0.00 WT1 H ATOM 10417 OH2 TIP3 2618 42.801 35.693 -12.928 1.00 0.00 WT1 O ATOM 10418 H1 TIP3 2618 41.939 36.072 -12.754 1.00 0.00 WT1 H ATOM 10419 H2 TIP3 2618 42.654 34.747 -12.919 1.00 0.00 WT1 H ATOM 10420 OH2 TIP3 2620 50.990 19.116 7.555 1.00 0.00 WT1 O ATOM 10421 H1 TIP3 2620 50.390 18.866 8.257 1.00 0.00 WT1 H ATOM 10422 H2 TIP3 2620 50.828 20.050 7.421 1.00 0.00 WT1 H ATOM 10423 OH2 TIP3 2623 21.897 89.297 56.754 1.00 0.00 WT1 O ATOM 10424 H1 TIP3 2623 22.434 89.120 55.982 1.00 0.00 WT1 H ATOM 10425 H2 TIP3 2623 22.258 90.106 57.116 1.00 0.00 WT1 H ATOM 10426 OH2 TIP3 2625 35.262 69.164 31.867 1.00 0.00 WT1 O ATOM 10427 H1 TIP3 2625 36.100 69.202 32.327 1.00 0.00 WT1 H ATOM 10428 H2 TIP3 2625 35.496 68.980 30.957 1.00 0.00 WT1 H ATOM 10429 OH2 TIP3 2626 34.468 91.578 -7.561 1.00 0.00 WT1 O ATOM 10430 H1 TIP3 2626 34.281 92.466 -7.257 1.00 0.00 WT1 H ATOM 10431 H2 TIP3 2626 34.349 91.028 -6.786 1.00 0.00 WT1 H ATOM 10432 OH2 TIP3 2627 73.316 77.780 45.604 1.00 0.00 WT1 O ATOM 10433 H1 TIP3 2627 73.104 76.847 45.581 1.00 0.00 WT1 H ATOM 10434 H2 TIP3 2627 73.652 77.972 44.729 1.00 0.00 WT1 H ATOM 10435 OH2 TIP3 2628 37.866 52.280 37.013 1.00 0.00 WT1 O ATOM 10436 H1 TIP3 2628 36.935 52.499 37.050 1.00 0.00 WT1 H ATOM 10437 H2 TIP3 2628 38.082 52.303 36.081 1.00 0.00 WT1 H ATOM 10438 OH2 TIP3 2629 33.268 20.007 51.472 1.00 0.00 WT1 O ATOM 10439 H1 TIP3 2629 33.511 19.273 52.037 1.00 0.00 WT1 H ATOM 10440 H2 TIP3 2629 32.505 19.693 50.986 1.00 0.00 WT1 H ATOM 10441 OH2 TIP3 2631 23.950 42.013 3.527 1.00 0.00 WT1 O ATOM 10442 H1 TIP3 2631 24.828 41.680 3.710 1.00 0.00 WT1 H ATOM 10443 H2 TIP3 2631 24.097 42.824 3.040 1.00 0.00 WT1 H ATOM 10444 OH2 TIP3 2632 80.389 44.542 8.530 1.00 0.00 WT1 O ATOM 10445 H1 TIP3 2632 79.611 44.665 7.986 1.00 0.00 WT1 H ATOM 10446 H2 TIP3 2632 80.844 45.384 8.492 1.00 0.00 WT1 H ATOM 10447 OH2 TIP3 2634 30.119 91.183 4.543 1.00 0.00 WT1 O ATOM 10448 H1 TIP3 2634 29.297 91.038 5.013 1.00 0.00 WT1 H ATOM 10449 H2 TIP3 2634 30.217 90.409 3.988 1.00 0.00 WT1 H ATOM 10450 OH2 TIP3 2635 90.186 93.794 -15.667 1.00 0.00 WT1 O ATOM 10451 H1 TIP3 2635 91.063 93.666 -15.305 1.00 0.00 WT1 H ATOM 10452 H2 TIP3 2635 89.620 93.247 -15.122 1.00 0.00 WT1 H ATOM 10453 OH2 TIP3 2637 57.278 51.639 20.237 1.00 0.00 WT1 O ATOM 10454 H1 TIP3 2637 57.471 50.884 19.682 1.00 0.00 WT1 H ATOM 10455 H2 TIP3 2637 57.298 52.387 19.640 1.00 0.00 WT1 H ATOM 10456 OH2 TIP3 2638 33.209 54.556 -0.889 1.00 0.00 WT1 O ATOM 10457 H1 TIP3 2638 32.375 54.189 -0.596 1.00 0.00 WT1 H ATOM 10458 H2 TIP3 2638 33.866 54.122 -0.345 1.00 0.00 WT1 H ATOM 10459 OH2 TIP3 2639 50.305 24.365 46.991 1.00 0.00 WT1 O ATOM 10460 H1 TIP3 2639 49.426 24.423 46.617 1.00 0.00 WT1 H ATOM 10461 H2 TIP3 2639 50.456 25.225 47.384 1.00 0.00 WT1 H ATOM 10462 OH2 TIP3 2641 27.236 86.691 51.355 1.00 0.00 WT1 O ATOM 10463 H1 TIP3 2641 27.676 87.287 50.748 1.00 0.00 WT1 H ATOM 10464 H2 TIP3 2641 26.356 87.054 51.452 1.00 0.00 WT1 H ATOM 10465 OH2 TIP3 2642 78.762 46.494 31.004 1.00 0.00 WT1 O ATOM 10466 H1 TIP3 2642 78.849 45.541 30.965 1.00 0.00 WT1 H ATOM 10467 H2 TIP3 2642 77.865 46.665 30.716 1.00 0.00 WT1 H ATOM 10468 OH2 TIP3 2644 81.272 69.647 27.942 1.00 0.00 WT1 O ATOM 10469 H1 TIP3 2644 80.878 68.776 27.988 1.00 0.00 WT1 H ATOM 10470 H2 TIP3 2644 80.556 70.220 27.667 1.00 0.00 WT1 H ATOM 10471 OH2 TIP3 2646 82.123 21.221 44.061 1.00 0.00 WT1 O ATOM 10472 H1 TIP3 2646 83.078 21.165 44.027 1.00 0.00 WT1 H ATOM 10473 H2 TIP3 2646 81.947 22.067 44.474 1.00 0.00 WT1 H ATOM 10474 OH2 TIP3 2647 74.695 95.636 -18.149 1.00 0.00 WT1 O ATOM 10475 H1 TIP3 2647 75.444 95.050 -18.039 1.00 0.00 WT1 H ATOM 10476 H2 TIP3 2647 74.140 95.462 -17.389 1.00 0.00 WT1 H ATOM 10477 OH2 TIP3 2648 79.470 84.180 -4.346 1.00 0.00 WT1 O ATOM 10478 H1 TIP3 2648 78.533 84.244 -4.530 1.00 0.00 WT1 H ATOM 10479 H2 TIP3 2648 79.518 83.974 -3.412 1.00 0.00 WT1 H ATOM 10480 OH2 TIP3 2649 36.152 7.996 62.264 1.00 0.00 WT1 O ATOM 10481 H1 TIP3 2649 35.330 7.627 62.588 1.00 0.00 WT1 H ATOM 10482 H2 TIP3 2649 36.724 8.018 63.031 1.00 0.00 WT1 H ATOM 10483 OH2 TIP3 2650 35.329 71.877 10.953 1.00 0.00 WT1 O ATOM 10484 H1 TIP3 2650 35.611 72.751 11.223 1.00 0.00 WT1 H ATOM 10485 H2 TIP3 2650 35.767 71.732 10.114 1.00 0.00 WT1 H ATOM 10486 OH2 TIP3 2651 26.295 47.652 -6.549 1.00 0.00 WT1 O ATOM 10487 H1 TIP3 2651 26.502 48.518 -6.901 1.00 0.00 WT1 H ATOM 10488 H2 TIP3 2651 25.343 47.586 -6.620 1.00 0.00 WT1 H ATOM 10489 OH2 TIP3 2653 88.284 83.858 0.262 1.00 0.00 WT1 O ATOM 10490 H1 TIP3 2653 89.189 84.145 0.140 1.00 0.00 WT1 H ATOM 10491 H2 TIP3 2653 88.293 82.929 0.028 1.00 0.00 WT1 H ATOM 10492 OH2 TIP3 2654 25.152 49.273 7.546 1.00 0.00 WT1 O ATOM 10493 H1 TIP3 2654 25.229 50.197 7.786 1.00 0.00 WT1 H ATOM 10494 H2 TIP3 2654 25.814 49.146 6.867 1.00 0.00 WT1 H ATOM 10495 OH2 TIP3 2655 43.247 91.221 16.298 1.00 0.00 WT1 O ATOM 10496 H1 TIP3 2655 43.227 90.438 16.849 1.00 0.00 WT1 H ATOM 10497 H2 TIP3 2655 42.865 90.939 15.467 1.00 0.00 WT1 H ATOM 10498 OH2 TIP3 2656 31.646 15.816 7.836 1.00 0.00 WT1 O ATOM 10499 H1 TIP3 2656 31.911 15.290 8.590 1.00 0.00 WT1 H ATOM 10500 H2 TIP3 2656 31.371 16.653 8.211 1.00 0.00 WT1 H ATOM 10501 OH2 TIP3 2657 20.204 22.056 35.223 1.00 0.00 WT1 O ATOM 10502 H1 TIP3 2657 20.564 22.843 35.632 1.00 0.00 WT1 H ATOM 10503 H2 TIP3 2657 20.968 21.509 35.040 1.00 0.00 WT1 H ATOM 10504 OH2 TIP3 2658 41.409 67.272 18.272 1.00 0.00 WT1 O ATOM 10505 H1 TIP3 2658 40.949 66.497 17.948 1.00 0.00 WT1 H ATOM 10506 H2 TIP3 2658 42.193 66.925 18.696 1.00 0.00 WT1 H ATOM 10507 OH2 TIP3 2659 33.158 90.229 -1.790 1.00 0.00 WT1 O ATOM 10508 H1 TIP3 2659 33.820 89.579 -1.556 1.00 0.00 WT1 H ATOM 10509 H2 TIP3 2659 33.662 90.994 -2.069 1.00 0.00 WT1 H ATOM 10510 OH2 TIP3 2660 56.420 95.405 15.942 1.00 0.00 WT1 O ATOM 10511 H1 TIP3 2660 55.515 95.203 16.179 1.00 0.00 WT1 H ATOM 10512 H2 TIP3 2660 56.497 95.130 15.029 1.00 0.00 WT1 H ATOM 10513 OH2 TIP3 2661 85.915 71.170 12.314 1.00 0.00 WT1 O ATOM 10514 H1 TIP3 2661 86.230 71.282 13.211 1.00 0.00 WT1 H ATOM 10515 H2 TIP3 2661 85.095 70.684 12.407 1.00 0.00 WT1 H ATOM 10516 OH2 TIP3 2662 40.711 3.466 8.633 1.00 0.00 WT1 O ATOM 10517 H1 TIP3 2662 39.879 3.886 8.849 1.00 0.00 WT1 H ATOM 10518 H2 TIP3 2662 41.150 3.355 9.477 1.00 0.00 WT1 H ATOM 10519 OH2 TIP3 2663 81.641 52.671 26.903 1.00 0.00 WT1 O ATOM 10520 H1 TIP3 2663 80.854 53.190 27.070 1.00 0.00 WT1 H ATOM 10521 H2 TIP3 2663 82.017 52.521 27.770 1.00 0.00 WT1 H ATOM 10522 OH2 TIP3 2664 82.476 68.286 7.321 1.00 0.00 WT1 O ATOM 10523 H1 TIP3 2664 81.939 68.507 8.082 1.00 0.00 WT1 H ATOM 10524 H2 TIP3 2664 82.768 67.389 7.485 1.00 0.00 WT1 H ATOM 10525 OH2 TIP3 2665 50.778 79.237 -7.959 1.00 0.00 WT1 O ATOM 10526 H1 TIP3 2665 50.665 79.265 -8.909 1.00 0.00 WT1 H ATOM 10527 H2 TIP3 2665 51.620 79.665 -7.805 1.00 0.00 WT1 H ATOM 10528 OH2 TIP3 2666 39.434 64.818 51.244 1.00 0.00 WT1 O ATOM 10529 H1 TIP3 2666 39.059 65.029 52.100 1.00 0.00 WT1 H ATOM 10530 H2 TIP3 2666 40.370 64.708 51.412 1.00 0.00 WT1 H ATOM 10531 OH2 TIP3 2667 59.086 81.283 52.485 1.00 0.00 WT1 O ATOM 10532 H1 TIP3 2667 59.647 80.981 51.771 1.00 0.00 WT1 H ATOM 10533 H2 TIP3 2667 59.602 81.957 52.927 1.00 0.00 WT1 H ATOM 10534 OH2 TIP3 2668 45.999 81.199 50.384 1.00 0.00 WT1 O ATOM 10535 H1 TIP3 2668 45.981 81.219 51.341 1.00 0.00 WT1 H ATOM 10536 H2 TIP3 2668 46.085 82.117 50.127 1.00 0.00 WT1 H ATOM 10537 OH2 TIP3 2669 73.184 89.266 45.193 1.00 0.00 WT1 O ATOM 10538 H1 TIP3 2669 73.017 88.423 45.613 1.00 0.00 WT1 H ATOM 10539 H2 TIP3 2669 72.511 89.848 45.547 1.00 0.00 WT1 H ATOM 10540 OH2 TIP3 2670 25.292 71.553 37.642 1.00 0.00 WT1 O ATOM 10541 H1 TIP3 2670 26.031 72.026 38.026 1.00 0.00 WT1 H ATOM 10542 H2 TIP3 2670 25.545 70.631 37.693 1.00 0.00 WT1 H ATOM 10543 OH2 TIP3 2672 89.939 31.164 21.859 1.00 0.00 WT1 O ATOM 10544 H1 TIP3 2672 89.654 31.966 21.422 1.00 0.00 WT1 H ATOM 10545 H2 TIP3 2672 90.693 31.431 22.384 1.00 0.00 WT1 H ATOM 10546 OH2 TIP3 2673 77.771 3.685 -9.183 1.00 0.00 WT1 O ATOM 10547 H1 TIP3 2673 77.666 2.884 -9.697 1.00 0.00 WT1 H ATOM 10548 H2 TIP3 2673 77.695 3.398 -8.273 1.00 0.00 WT1 H ATOM 10549 OH2 TIP3 2674 28.718 79.318 25.529 1.00 0.00 WT1 O ATOM 10550 H1 TIP3 2674 28.216 79.945 25.009 1.00 0.00 WT1 H ATOM 10551 H2 TIP3 2674 28.101 79.003 26.189 1.00 0.00 WT1 H ATOM 10552 OH2 TIP3 2675 59.887 53.172 -15.559 1.00 0.00 WT1 O ATOM 10553 H1 TIP3 2675 59.750 52.483 -14.909 1.00 0.00 WT1 H ATOM 10554 H2 TIP3 2675 60.838 53.225 -15.656 1.00 0.00 WT1 H ATOM 10555 OH2 TIP3 2676 59.402 22.246 14.060 1.00 0.00 WT1 O ATOM 10556 H1 TIP3 2676 59.085 21.481 13.579 1.00 0.00 WT1 H ATOM 10557 H2 TIP3 2676 58.614 22.632 14.442 1.00 0.00 WT1 H ATOM 10558 OH2 TIP3 2677 52.209 80.008 36.171 1.00 0.00 WT1 O ATOM 10559 H1 TIP3 2677 52.575 80.646 36.784 1.00 0.00 WT1 H ATOM 10560 H2 TIP3 2677 51.263 80.068 36.299 1.00 0.00 WT1 H ATOM 10561 OH2 TIP3 2678 73.529 60.636 14.521 1.00 0.00 WT1 O ATOM 10562 H1 TIP3 2678 73.684 59.747 14.202 1.00 0.00 WT1 H ATOM 10563 H2 TIP3 2678 73.004 60.519 15.312 1.00 0.00 WT1 H ATOM 10564 OH2 TIP3 2679 30.106 26.894 14.108 1.00 0.00 WT1 O ATOM 10565 H1 TIP3 2679 30.826 26.739 13.497 1.00 0.00 WT1 H ATOM 10566 H2 TIP3 2679 29.460 26.221 13.895 1.00 0.00 WT1 H ATOM 10567 OH2 TIP3 2680 79.321 29.221 13.534 1.00 0.00 WT1 O ATOM 10568 H1 TIP3 2680 79.222 28.718 14.342 1.00 0.00 WT1 H ATOM 10569 H2 TIP3 2680 78.469 29.152 13.103 1.00 0.00 WT1 H ATOM 10570 OH2 TIP3 2681 47.530 17.026 40.114 1.00 0.00 WT1 O ATOM 10571 H1 TIP3 2681 46.980 17.729 39.768 1.00 0.00 WT1 H ATOM 10572 H2 TIP3 2681 46.948 16.267 40.160 1.00 0.00 WT1 H ATOM 10573 OH2 TIP3 2682 84.364 94.305 21.625 1.00 0.00 WT1 O ATOM 10574 H1 TIP3 2682 83.544 94.404 22.109 1.00 0.00 WT1 H ATOM 10575 H2 TIP3 2682 84.497 93.359 21.570 1.00 0.00 WT1 H ATOM 10576 OH2 TIP3 2683 73.984 79.900 -5.836 1.00 0.00 WT1 O ATOM 10577 H1 TIP3 2683 74.902 79.772 -5.596 1.00 0.00 WT1 H ATOM 10578 H2 TIP3 2683 73.566 80.205 -5.031 1.00 0.00 WT1 H ATOM 10579 OH2 TIP3 2684 69.262 23.347 7.285 1.00 0.00 WT1 O ATOM 10580 H1 TIP3 2684 68.849 24.211 7.270 1.00 0.00 WT1 H ATOM 10581 H2 TIP3 2684 69.135 23.036 8.181 1.00 0.00 WT1 H ATOM 10582 OH2 TIP3 2685 74.149 82.019 53.883 1.00 0.00 WT1 O ATOM 10583 H1 TIP3 2685 74.494 81.163 53.630 1.00 0.00 WT1 H ATOM 10584 H2 TIP3 2685 73.747 82.361 53.085 1.00 0.00 WT1 H ATOM 10585 OH2 TIP3 2686 69.454 5.982 -10.670 1.00 0.00 WT1 O ATOM 10586 H1 TIP3 2686 68.862 6.104 -11.412 1.00 0.00 WT1 H ATOM 10587 H2 TIP3 2686 68.877 5.777 -9.934 1.00 0.00 WT1 H ATOM 10588 OH2 TIP3 2688 54.122 19.391 13.029 1.00 0.00 WT1 O ATOM 10589 H1 TIP3 2688 53.167 19.457 12.995 1.00 0.00 WT1 H ATOM 10590 H2 TIP3 2688 54.338 19.521 13.952 1.00 0.00 WT1 H ATOM 10591 OH2 TIP3 2689 52.989 17.577 11.049 1.00 0.00 WT1 O ATOM 10592 H1 TIP3 2689 53.184 17.850 10.152 1.00 0.00 WT1 H ATOM 10593 H2 TIP3 2689 52.645 18.365 11.470 1.00 0.00 WT1 H ATOM 10594 OH2 TIP3 2690 68.266 0.187 53.642 1.00 0.00 WT1 O ATOM 10595 H1 TIP3 2690 68.523 0.822 52.972 1.00 0.00 WT1 H ATOM 10596 H2 TIP3 2690 69.073 -0.286 53.845 1.00 0.00 WT1 H ATOM 10597 OH2 TIP3 2691 24.515 -0.094 60.300 1.00 0.00 WT1 O ATOM 10598 H1 TIP3 2691 23.754 0.434 60.540 1.00 0.00 WT1 H ATOM 10599 H2 TIP3 2691 24.577 -0.007 59.349 1.00 0.00 WT1 H ATOM 10600 OH2 TIP3 2692 47.130 92.014 4.318 1.00 0.00 WT1 O ATOM 10601 H1 TIP3 2692 47.310 92.949 4.420 1.00 0.00 WT1 H ATOM 10602 H2 TIP3 2692 46.569 91.796 5.062 1.00 0.00 WT1 H ATOM 10603 OH2 TIP3 2693 72.911 89.448 23.611 1.00 0.00 WT1 O ATOM 10604 H1 TIP3 2693 72.692 89.123 22.738 1.00 0.00 WT1 H ATOM 10605 H2 TIP3 2693 73.697 88.961 23.858 1.00 0.00 WT1 H ATOM 10606 OH2 TIP3 2694 39.384 21.505 4.727 1.00 0.00 WT1 O ATOM 10607 H1 TIP3 2694 38.934 20.968 5.379 1.00 0.00 WT1 H ATOM 10608 H2 TIP3 2694 40.023 22.010 5.231 1.00 0.00 WT1 H ATOM 10609 OH2 TIP3 2695 43.172 12.517 18.241 1.00 0.00 WT1 O ATOM 10610 H1 TIP3 2695 42.724 12.567 17.397 1.00 0.00 WT1 H ATOM 10611 H2 TIP3 2695 44.045 12.871 18.071 1.00 0.00 WT1 H ATOM 10612 OH2 TIP3 2696 58.566 38.525 -8.865 1.00 0.00 WT1 O ATOM 10613 H1 TIP3 2696 57.783 38.912 -9.257 1.00 0.00 WT1 H ATOM 10614 H2 TIP3 2696 58.862 39.176 -8.228 1.00 0.00 WT1 H ATOM 10615 OH2 TIP3 2697 45.668 18.909 38.824 1.00 0.00 WT1 O ATOM 10616 H1 TIP3 2697 45.633 19.856 38.960 1.00 0.00 WT1 H ATOM 10617 H2 TIP3 2697 45.299 18.777 37.951 1.00 0.00 WT1 H ATOM 10618 OH2 TIP3 2698 40.696 53.558 46.314 1.00 0.00 WT1 O ATOM 10619 H1 TIP3 2698 41.185 54.359 46.501 1.00 0.00 WT1 H ATOM 10620 H2 TIP3 2698 40.722 53.477 45.360 1.00 0.00 WT1 H ATOM 10621 OH2 TIP3 2700 85.903 2.590 54.534 1.00 0.00 WT1 O ATOM 10622 H1 TIP3 2700 86.508 2.240 55.188 1.00 0.00 WT1 H ATOM 10623 H2 TIP3 2700 85.654 3.450 54.874 1.00 0.00 WT1 H ATOM 10624 OH2 TIP3 2701 24.830 70.977 17.281 1.00 0.00 WT1 O ATOM 10625 H1 TIP3 2701 24.357 70.335 17.809 1.00 0.00 WT1 H ATOM 10626 H2 TIP3 2701 25.749 70.855 17.521 1.00 0.00 WT1 H ATOM 10627 OH2 TIP3 2702 46.549 96.328 -17.395 1.00 0.00 WT1 O ATOM 10628 H1 TIP3 2702 45.698 96.636 -17.707 1.00 0.00 WT1 H ATOM 10629 H2 TIP3 2702 46.350 95.843 -16.594 1.00 0.00 WT1 H ATOM 10630 OH2 TIP3 2703 40.611 13.720 36.184 1.00 0.00 WT1 O ATOM 10631 H1 TIP3 2703 40.639 12.925 36.716 1.00 0.00 WT1 H ATOM 10632 H2 TIP3 2703 41.459 13.743 35.740 1.00 0.00 WT1 H ATOM 10633 OH2 TIP3 2705 87.612 86.447 51.172 1.00 0.00 WT1 O ATOM 10634 H1 TIP3 2705 87.293 86.936 51.930 1.00 0.00 WT1 H ATOM 10635 H2 TIP3 2705 87.185 85.594 51.239 1.00 0.00 WT1 H ATOM 10636 OH2 TIP3 2706 54.120 2.530 8.345 1.00 0.00 WT1 O ATOM 10637 H1 TIP3 2706 54.379 3.229 8.946 1.00 0.00 WT1 H ATOM 10638 H2 TIP3 2706 53.397 2.904 7.841 1.00 0.00 WT1 H ATOM 10639 OH2 TIP3 2707 76.918 19.665 47.567 1.00 0.00 WT1 O ATOM 10640 H1 TIP3 2707 77.579 19.930 46.928 1.00 0.00 WT1 H ATOM 10641 H2 TIP3 2707 76.486 20.482 47.819 1.00 0.00 WT1 H ATOM 10642 OH2 TIP3 2708 87.890 17.075 56.384 1.00 0.00 WT1 O ATOM 10643 H1 TIP3 2708 88.837 16.961 56.305 1.00 0.00 WT1 H ATOM 10644 H2 TIP3 2708 87.581 17.153 55.482 1.00 0.00 WT1 H ATOM 10645 OH2 TIP3 2709 51.629 93.509 0.839 1.00 0.00 WT1 O ATOM 10646 H1 TIP3 2709 52.034 92.744 0.430 1.00 0.00 WT1 H ATOM 10647 H2 TIP3 2709 51.494 93.251 1.750 1.00 0.00 WT1 H ATOM 10648 OH2 TIP3 2710 68.109 21.178 54.516 1.00 0.00 WT1 O ATOM 10649 H1 TIP3 2710 68.295 22.066 54.212 1.00 0.00 WT1 H ATOM 10650 H2 TIP3 2710 68.315 21.196 55.450 1.00 0.00 WT1 H ATOM 10651 OH2 TIP3 2711 36.063 66.296 -6.403 1.00 0.00 WT1 O ATOM 10652 H1 TIP3 2711 35.374 66.114 -7.042 1.00 0.00 WT1 H ATOM 10653 H2 TIP3 2711 36.796 66.622 -6.927 1.00 0.00 WT1 H ATOM 10654 OH2 TIP3 2712 87.774 82.905 -7.575 1.00 0.00 WT1 O ATOM 10655 H1 TIP3 2712 88.395 82.478 -6.986 1.00 0.00 WT1 H ATOM 10656 H2 TIP3 2712 86.950 82.916 -7.089 1.00 0.00 WT1 H ATOM 10657 OH2 TIP3 2713 22.280 67.191 53.318 1.00 0.00 WT1 O ATOM 10658 H1 TIP3 2713 21.738 67.653 53.958 1.00 0.00 WT1 H ATOM 10659 H2 TIP3 2713 21.653 66.729 52.761 1.00 0.00 WT1 H ATOM 10660 OH2 TIP3 2714 31.913 44.419 31.361 1.00 0.00 WT1 O ATOM 10661 H1 TIP3 2714 32.507 45.009 30.898 1.00 0.00 WT1 H ATOM 10662 H2 TIP3 2714 32.196 43.542 31.103 1.00 0.00 WT1 H ATOM 10663 OH2 TIP3 2715 59.097 17.925 1.909 1.00 0.00 WT1 O ATOM 10664 H1 TIP3 2715 59.277 17.015 2.148 1.00 0.00 WT1 H ATOM 10665 H2 TIP3 2715 58.548 17.864 1.128 1.00 0.00 WT1 H ATOM 10666 OH2 TIP3 2717 55.761 51.133 -2.865 1.00 0.00 WT1 O ATOM 10667 H1 TIP3 2717 54.932 51.536 -3.125 1.00 0.00 WT1 H ATOM 10668 H2 TIP3 2717 55.723 51.100 -1.910 1.00 0.00 WT1 H ATOM 10669 OH2 TIP3 2718 72.682 14.531 7.432 1.00 0.00 WT1 O ATOM 10670 H1 TIP3 2718 73.389 15.169 7.337 1.00 0.00 WT1 H ATOM 10671 H2 TIP3 2718 72.846 13.887 6.743 1.00 0.00 WT1 H ATOM 10672 OH2 TIP3 2719 28.461 12.143 60.519 1.00 0.00 WT1 O ATOM 10673 H1 TIP3 2719 27.952 12.865 60.888 1.00 0.00 WT1 H ATOM 10674 H2 TIP3 2719 27.856 11.705 59.920 1.00 0.00 WT1 H ATOM 10675 OH2 TIP3 2720 46.080 84.003 16.443 1.00 0.00 WT1 O ATOM 10676 H1 TIP3 2720 45.984 83.941 17.394 1.00 0.00 WT1 H ATOM 10677 H2 TIP3 2720 47.022 83.922 16.292 1.00 0.00 WT1 H ATOM 10678 OH2 TIP3 2721 81.695 1.819 55.937 1.00 0.00 WT1 O ATOM 10679 H1 TIP3 2721 82.354 2.123 56.561 1.00 0.00 WT1 H ATOM 10680 H2 TIP3 2721 81.498 0.924 56.213 1.00 0.00 WT1 H ATOM 10681 OH2 TIP3 2722 51.919 59.500 52.484 1.00 0.00 WT1 O ATOM 10682 H1 TIP3 2722 51.766 59.295 51.562 1.00 0.00 WT1 H ATOM 10683 H2 TIP3 2722 52.796 59.884 52.503 1.00 0.00 WT1 H ATOM 10684 OH2 TIP3 2723 67.161 96.223 -14.876 1.00 0.00 WT1 O ATOM 10685 H1 TIP3 2723 67.196 97.173 -14.991 1.00 0.00 WT1 H ATOM 10686 H2 TIP3 2723 66.659 96.097 -14.071 1.00 0.00 WT1 H ATOM 10687 OH2 TIP3 2724 34.912 2.839 44.941 1.00 0.00 WT1 O ATOM 10688 H1 TIP3 2724 34.902 3.615 44.382 1.00 0.00 WT1 H ATOM 10689 H2 TIP3 2724 34.911 2.102 44.330 1.00 0.00 WT1 H ATOM 10690 OH2 TIP3 2725 89.366 32.453 11.527 1.00 0.00 WT1 O ATOM 10691 H1 TIP3 2725 89.337 33.175 10.901 1.00 0.00 WT1 H ATOM 10692 H2 TIP3 2725 90.169 31.979 11.311 1.00 0.00 WT1 H ATOM 10693 OH2 TIP3 2726 42.000 55.092 53.749 1.00 0.00 WT1 O ATOM 10694 H1 TIP3 2726 42.217 55.561 52.943 1.00 0.00 WT1 H ATOM 10695 H2 TIP3 2726 41.834 55.781 54.391 1.00 0.00 WT1 H ATOM 10696 OH2 TIP3 2727 85.003 52.112 37.770 1.00 0.00 WT1 O ATOM 10697 H1 TIP3 2727 85.281 53.017 37.908 1.00 0.00 WT1 H ATOM 10698 H2 TIP3 2727 84.281 52.176 37.144 1.00 0.00 WT1 H ATOM 10699 OH2 TIP3 2728 78.223 84.990 43.996 1.00 0.00 WT1 O ATOM 10700 H1 TIP3 2728 78.276 84.815 43.057 1.00 0.00 WT1 H ATOM 10701 H2 TIP3 2728 77.706 85.793 44.062 1.00 0.00 WT1 H ATOM 10702 OH2 TIP3 2729 61.732 12.198 -9.771 1.00 0.00 WT1 O ATOM 10703 H1 TIP3 2729 61.302 12.823 -10.355 1.00 0.00 WT1 H ATOM 10704 H2 TIP3 2729 62.658 12.250 -10.005 1.00 0.00 WT1 H ATOM 10705 OH2 TIP3 2730 29.200 9.918 45.791 1.00 0.00 WT1 O ATOM 10706 H1 TIP3 2730 30.038 10.131 46.203 1.00 0.00 WT1 H ATOM 10707 H2 TIP3 2730 29.258 10.304 44.917 1.00 0.00 WT1 H ATOM 10708 OH2 TIP3 2732 31.602 78.681 2.128 1.00 0.00 WT1 O ATOM 10709 H1 TIP3 2732 30.841 78.554 2.695 1.00 0.00 WT1 H ATOM 10710 H2 TIP3 2732 31.277 79.225 1.410 1.00 0.00 WT1 H ATOM 10711 OH2 TIP3 2733 62.468 85.852 53.972 1.00 0.00 WT1 O ATOM 10712 H1 TIP3 2733 63.296 86.297 54.156 1.00 0.00 WT1 H ATOM 10713 H2 TIP3 2733 62.652 84.927 54.137 1.00 0.00 WT1 H ATOM 10714 OH2 TIP3 2734 42.739 90.655 56.709 1.00 0.00 WT1 O ATOM 10715 H1 TIP3 2734 42.273 90.340 55.934 1.00 0.00 WT1 H ATOM 10716 H2 TIP3 2734 42.502 90.035 57.399 1.00 0.00 WT1 H ATOM 10717 OH2 TIP3 2735 33.710 22.319 31.874 1.00 0.00 WT1 O ATOM 10718 H1 TIP3 2735 33.574 22.729 32.729 1.00 0.00 WT1 H ATOM 10719 H2 TIP3 2735 33.448 22.988 31.242 1.00 0.00 WT1 H ATOM 10720 OH2 TIP3 2736 77.010 46.236 -0.700 1.00 0.00 WT1 O ATOM 10721 H1 TIP3 2736 76.235 45.942 -0.221 1.00 0.00 WT1 H ATOM 10722 H2 TIP3 2736 77.238 47.073 -0.296 1.00 0.00 WT1 H ATOM 10723 OH2 TIP3 2737 28.252 11.319 11.670 1.00 0.00 WT1 O ATOM 10724 H1 TIP3 2737 28.823 10.801 11.102 1.00 0.00 WT1 H ATOM 10725 H2 TIP3 2737 28.579 12.214 11.587 1.00 0.00 WT1 H ATOM 10726 OH2 TIP3 2738 25.671 92.758 42.174 1.00 0.00 WT1 O ATOM 10727 H1 TIP3 2738 25.548 92.082 41.508 1.00 0.00 WT1 H ATOM 10728 H2 TIP3 2738 25.712 93.577 41.681 1.00 0.00 WT1 H ATOM 10729 OH2 TIP3 2739 52.208 18.667 1.742 1.00 0.00 WT1 O ATOM 10730 H1 TIP3 2739 51.332 18.938 1.466 1.00 0.00 WT1 H ATOM 10731 H2 TIP3 2739 52.265 17.746 1.488 1.00 0.00 WT1 H ATOM 10732 OH2 TIP3 2740 27.867 79.440 57.006 1.00 0.00 WT1 O ATOM 10733 H1 TIP3 2740 28.739 79.762 57.234 1.00 0.00 WT1 H ATOM 10734 H2 TIP3 2740 27.571 80.021 56.305 1.00 0.00 WT1 H ATOM 10735 OH2 TIP3 2741 25.851 71.638 -0.674 1.00 0.00 WT1 O ATOM 10736 H1 TIP3 2741 25.401 72.190 -0.034 1.00 0.00 WT1 H ATOM 10737 H2 TIP3 2741 26.340 71.007 -0.146 1.00 0.00 WT1 H ATOM 10738 OH2 TIP3 2742 65.658 27.856 30.038 1.00 0.00 WT1 O ATOM 10739 H1 TIP3 2742 65.724 28.801 30.176 1.00 0.00 WT1 H ATOM 10740 H2 TIP3 2742 64.752 27.716 29.762 1.00 0.00 WT1 H ATOM 10741 OH2 TIP3 2743 49.028 2.068 -12.534 1.00 0.00 WT1 O ATOM 10742 H1 TIP3 2743 49.017 2.873 -13.051 1.00 0.00 WT1 H ATOM 10743 H2 TIP3 2743 48.232 2.113 -12.003 1.00 0.00 WT1 H ATOM 10744 OH2 TIP3 2744 49.347 19.359 43.908 1.00 0.00 WT1 O ATOM 10745 H1 TIP3 2744 48.431 19.175 44.116 1.00 0.00 WT1 H ATOM 10746 H2 TIP3 2744 49.846 18.853 44.549 1.00 0.00 WT1 H ATOM 10747 OH2 TIP3 2745 41.395 20.865 49.893 1.00 0.00 WT1 O ATOM 10748 H1 TIP3 2745 41.734 21.348 50.647 1.00 0.00 WT1 H ATOM 10749 H2 TIP3 2745 40.770 21.464 49.486 1.00 0.00 WT1 H ATOM 10750 OH2 TIP3 2746 28.907 92.391 31.460 1.00 0.00 WT1 O ATOM 10751 H1 TIP3 2746 28.831 93.305 31.735 1.00 0.00 WT1 H ATOM 10752 H2 TIP3 2746 29.306 91.947 32.208 1.00 0.00 WT1 H ATOM 10753 OH2 TIP3 2747 65.600 3.107 -2.797 1.00 0.00 WT1 O ATOM 10754 H1 TIP3 2747 66.068 3.940 -2.854 1.00 0.00 WT1 H ATOM 10755 H2 TIP3 2747 66.284 2.442 -2.869 1.00 0.00 WT1 H ATOM 10756 OH2 TIP3 2748 28.766 18.640 7.958 1.00 0.00 WT1 O ATOM 10757 H1 TIP3 2748 28.736 19.593 8.040 1.00 0.00 WT1 H ATOM 10758 H2 TIP3 2748 29.335 18.355 8.673 1.00 0.00 WT1 H ATOM 10759 OH2 TIP3 2749 42.563 90.853 -7.663 1.00 0.00 WT1 O ATOM 10760 H1 TIP3 2749 42.536 90.040 -7.158 1.00 0.00 WT1 H ATOM 10761 H2 TIP3 2749 41.653 91.148 -7.691 1.00 0.00 WT1 H ATOM 10762 OH2 TIP3 2750 46.469 86.309 -0.668 1.00 0.00 WT1 O ATOM 10763 H1 TIP3 2750 46.928 87.147 -0.724 1.00 0.00 WT1 H ATOM 10764 H2 TIP3 2750 46.707 85.850 -1.474 1.00 0.00 WT1 H ATOM 10765 OH2 TIP3 2752 24.420 38.773 18.139 1.00 0.00 WT1 O ATOM 10766 H1 TIP3 2752 24.571 39.632 17.746 1.00 0.00 WT1 H ATOM 10767 H2 TIP3 2752 24.223 38.201 17.397 1.00 0.00 WT1 H ATOM 10768 OH2 TIP3 2753 30.096 18.456 15.084 1.00 0.00 WT1 O ATOM 10769 H1 TIP3 2753 30.486 17.714 15.546 1.00 0.00 WT1 H ATOM 10770 H2 TIP3 2753 30.363 19.222 15.592 1.00 0.00 WT1 H ATOM 10771 OH2 TIP3 2754 54.181 27.466 59.670 1.00 0.00 WT1 O ATOM 10772 H1 TIP3 2754 53.408 27.439 59.107 1.00 0.00 WT1 H ATOM 10773 H2 TIP3 2754 54.314 28.396 59.851 1.00 0.00 WT1 H ATOM 10774 OH2 TIP3 2755 42.872 90.431 -3.669 1.00 0.00 WT1 O ATOM 10775 H1 TIP3 2755 43.367 91.228 -3.477 1.00 0.00 WT1 H ATOM 10776 H2 TIP3 2755 43.532 89.738 -3.688 1.00 0.00 WT1 H ATOM 10777 OH2 TIP3 2756 36.467 20.105 -1.110 1.00 0.00 WT1 O ATOM 10778 H1 TIP3 2756 36.560 21.005 -0.797 1.00 0.00 WT1 H ATOM 10779 H2 TIP3 2756 35.551 20.039 -1.380 1.00 0.00 WT1 H ATOM 10780 OH2 TIP3 2757 83.507 63.722 -12.895 1.00 0.00 WT1 O ATOM 10781 H1 TIP3 2757 83.637 63.012 -13.523 1.00 0.00 WT1 H ATOM 10782 H2 TIP3 2757 83.092 63.302 -12.141 1.00 0.00 WT1 H ATOM 10783 OH2 TIP3 2758 27.288 75.506 8.581 1.00 0.00 WT1 O ATOM 10784 H1 TIP3 2758 27.963 75.926 8.047 1.00 0.00 WT1 H ATOM 10785 H2 TIP3 2758 27.761 74.848 9.091 1.00 0.00 WT1 H ATOM 10786 OH2 TIP3 2760 62.115 30.334 18.697 1.00 0.00 WT1 O ATOM 10787 H1 TIP3 2760 61.388 30.389 18.077 1.00 0.00 WT1 H ATOM 10788 H2 TIP3 2760 61.863 30.914 19.415 1.00 0.00 WT1 H ATOM 10789 OH2 TIP3 2761 49.712 83.245 -8.675 1.00 0.00 WT1 O ATOM 10790 H1 TIP3 2761 50.490 83.087 -8.140 1.00 0.00 WT1 H ATOM 10791 H2 TIP3 2761 49.055 82.641 -8.327 1.00 0.00 WT1 H ATOM 10792 OH2 TIP3 2763 39.616 63.702 38.305 1.00 0.00 WT1 O ATOM 10793 H1 TIP3 2763 40.074 63.051 37.773 1.00 0.00 WT1 H ATOM 10794 H2 TIP3 2763 39.815 64.538 37.884 1.00 0.00 WT1 H ATOM 10795 OH2 TIP3 2764 46.673 53.100 -11.571 1.00 0.00 WT1 O ATOM 10796 H1 TIP3 2764 46.990 53.436 -10.733 1.00 0.00 WT1 H ATOM 10797 H2 TIP3 2764 47.117 52.258 -11.675 1.00 0.00 WT1 H ATOM 10798 OH2 TIP3 2765 39.004 21.627 14.209 1.00 0.00 WT1 O ATOM 10799 H1 TIP3 2765 39.741 21.319 13.682 1.00 0.00 WT1 H ATOM 10800 H2 TIP3 2765 39.181 21.291 15.088 1.00 0.00 WT1 H ATOM 10801 OH2 TIP3 2766 58.800 15.945 59.937 1.00 0.00 WT1 O ATOM 10802 H1 TIP3 2766 58.281 15.877 60.739 1.00 0.00 WT1 H ATOM 10803 H2 TIP3 2766 59.626 15.510 60.148 1.00 0.00 WT1 H ATOM 10804 OH2 TIP3 2767 88.552 60.818 -10.007 1.00 0.00 WT1 O ATOM 10805 H1 TIP3 2767 88.924 61.364 -9.315 1.00 0.00 WT1 H ATOM 10806 H2 TIP3 2767 88.845 61.228 -10.821 1.00 0.00 WT1 H ATOM 10807 OH2 TIP3 2769 34.256 54.896 59.531 1.00 0.00 WT1 O ATOM 10808 H1 TIP3 2769 33.895 54.404 58.795 1.00 0.00 WT1 H ATOM 10809 H2 TIP3 2769 33.728 54.627 60.283 1.00 0.00 WT1 H ATOM 10810 OH2 TIP3 2770 54.955 91.380 -0.078 1.00 0.00 WT1 O ATOM 10811 H1 TIP3 2770 55.278 90.532 -0.383 1.00 0.00 WT1 H ATOM 10812 H2 TIP3 2770 54.005 91.326 -0.182 1.00 0.00 WT1 H ATOM 10813 OH2 TIP3 2771 49.736 70.804 -15.157 1.00 0.00 WT1 O ATOM 10814 H1 TIP3 2771 48.818 70.853 -15.422 1.00 0.00 WT1 H ATOM 10815 H2 TIP3 2771 49.706 70.600 -14.222 1.00 0.00 WT1 H ATOM 10816 OH2 TIP3 2772 46.871 18.084 28.076 1.00 0.00 WT1 O ATOM 10817 H1 TIP3 2772 46.573 17.658 27.272 1.00 0.00 WT1 H ATOM 10818 H2 TIP3 2772 47.417 18.810 27.776 1.00 0.00 WT1 H ATOM 10819 OH2 TIP3 2774 70.405 51.632 -17.613 1.00 0.00 WT1 O ATOM 10820 H1 TIP3 2774 69.950 51.380 -16.810 1.00 0.00 WT1 H ATOM 10821 H2 TIP3 2774 69.905 52.375 -17.950 1.00 0.00 WT1 H ATOM 10822 OH2 TIP3 2775 68.501 29.312 15.254 1.00 0.00 WT1 O ATOM 10823 H1 TIP3 2775 68.137 30.176 15.063 1.00 0.00 WT1 H ATOM 10824 H2 TIP3 2775 68.303 29.167 16.179 1.00 0.00 WT1 H ATOM 10825 OH2 TIP3 2776 57.915 31.665 -5.354 1.00 0.00 WT1 O ATOM 10826 H1 TIP3 2776 57.045 31.270 -5.401 1.00 0.00 WT1 H ATOM 10827 H2 TIP3 2776 57.789 32.462 -4.839 1.00 0.00 WT1 H ATOM 10828 OH2 TIP3 2777 44.215 83.925 53.321 1.00 0.00 WT1 O ATOM 10829 H1 TIP3 2777 45.125 83.830 53.601 1.00 0.00 WT1 H ATOM 10830 H2 TIP3 2777 43.806 83.090 53.547 1.00 0.00 WT1 H ATOM 10831 OH2 TIP3 2778 23.035 35.922 20.060 1.00 0.00 WT1 O ATOM 10832 H1 TIP3 2778 22.679 35.886 19.172 1.00 0.00 WT1 H ATOM 10833 H2 TIP3 2778 22.352 36.351 20.575 1.00 0.00 WT1 H ATOM 10834 OH2 TIP3 2779 88.268 74.150 44.434 1.00 0.00 WT1 O ATOM 10835 H1 TIP3 2779 87.971 74.203 43.526 1.00 0.00 WT1 H ATOM 10836 H2 TIP3 2779 87.782 73.413 44.803 1.00 0.00 WT1 H ATOM 10837 OH2 TIP3 2780 44.219 33.812 -16.111 1.00 0.00 WT1 O ATOM 10838 H1 TIP3 2780 45.117 33.571 -15.883 1.00 0.00 WT1 H ATOM 10839 H2 TIP3 2780 43.765 33.866 -15.270 1.00 0.00 WT1 H ATOM 10840 OH2 TIP3 2781 23.810 5.741 65.178 1.00 0.00 WT1 O ATOM 10841 H1 TIP3 2781 24.013 5.082 64.513 1.00 0.00 WT1 H ATOM 10842 H2 TIP3 2781 22.866 5.881 65.097 1.00 0.00 WT1 H ATOM 10843 OH2 TIP3 2784 54.367 28.723 2.404 1.00 0.00 WT1 O ATOM 10844 H1 TIP3 2784 54.997 28.730 3.125 1.00 0.00 WT1 H ATOM 10845 H2 TIP3 2784 53.519 28.597 2.829 1.00 0.00 WT1 H ATOM 10846 OH2 TIP3 2785 72.038 35.525 51.786 1.00 0.00 WT1 O ATOM 10847 H1 TIP3 2785 71.987 35.985 50.948 1.00 0.00 WT1 H ATOM 10848 H2 TIP3 2785 72.610 34.777 51.615 1.00 0.00 WT1 H ATOM 10849 OH2 TIP3 2786 55.790 82.502 32.264 1.00 0.00 WT1 O ATOM 10850 H1 TIP3 2786 55.843 83.361 31.846 1.00 0.00 WT1 H ATOM 10851 H2 TIP3 2786 54.856 82.291 32.261 1.00 0.00 WT1 H ATOM 10852 OH2 TIP3 2788 55.329 0.502 55.734 1.00 0.00 WT1 O ATOM 10853 H1 TIP3 2788 55.674 -0.128 55.101 1.00 0.00 WT1 H ATOM 10854 H2 TIP3 2788 54.556 0.872 55.307 1.00 0.00 WT1 H ATOM 10855 OH2 TIP3 2789 20.403 40.362 35.216 1.00 0.00 WT1 O ATOM 10856 H1 TIP3 2789 21.050 40.077 34.570 1.00 0.00 WT1 H ATOM 10857 H2 TIP3 2789 19.625 40.572 34.699 1.00 0.00 WT1 H ATOM 10858 OH2 TIP3 2791 69.302 12.050 0.335 1.00 0.00 WT1 O ATOM 10859 H1 TIP3 2791 68.676 12.704 0.022 1.00 0.00 WT1 H ATOM 10860 H2 TIP3 2791 68.780 11.458 0.876 1.00 0.00 WT1 H ATOM 10861 OH2 TIP3 2792 49.646 18.336 33.038 1.00 0.00 WT1 O ATOM 10862 H1 TIP3 2792 48.804 18.610 33.403 1.00 0.00 WT1 H ATOM 10863 H2 TIP3 2792 49.921 17.607 33.593 1.00 0.00 WT1 H ATOM 10864 OH2 TIP3 2794 66.095 46.235 -3.582 1.00 0.00 WT1 O ATOM 10865 H1 TIP3 2794 67.024 46.207 -3.356 1.00 0.00 WT1 H ATOM 10866 H2 TIP3 2794 65.729 46.910 -3.011 1.00 0.00 WT1 H ATOM 10867 OH2 TIP3 2795 20.402 43.234 51.629 1.00 0.00 WT1 O ATOM 10868 H1 TIP3 2795 19.744 42.716 51.166 1.00 0.00 WT1 H ATOM 10869 H2 TIP3 2795 20.740 42.645 52.303 1.00 0.00 WT1 H ATOM 10870 OH2 TIP3 2796 36.152 60.705 6.999 1.00 0.00 WT1 O ATOM 10871 H1 TIP3 2796 35.528 61.258 7.469 1.00 0.00 WT1 H ATOM 10872 H2 TIP3 2796 36.657 60.274 7.688 1.00 0.00 WT1 H ATOM 10873 OH2 TIP3 2797 50.930 12.701 63.010 1.00 0.00 WT1 O ATOM 10874 H1 TIP3 2797 51.569 13.225 63.492 1.00 0.00 WT1 H ATOM 10875 H2 TIP3 2797 50.133 12.751 63.537 1.00 0.00 WT1 H ATOM 10876 OH2 TIP3 2798 38.460 93.956 -18.879 1.00 0.00 WT1 O ATOM 10877 H1 TIP3 2798 39.302 93.525 -19.026 1.00 0.00 WT1 H ATOM 10878 H2 TIP3 2798 37.902 93.271 -18.508 1.00 0.00 WT1 H ATOM 10879 OH2 TIP3 2800 33.855 33.611 22.197 1.00 0.00 WT1 O ATOM 10880 H1 TIP3 2800 33.150 33.610 22.845 1.00 0.00 WT1 H ATOM 10881 H2 TIP3 2800 34.283 34.460 22.309 1.00 0.00 WT1 H ATOM 10882 OH2 TIP3 2801 44.882 63.614 8.841 1.00 0.00 WT1 O ATOM 10883 H1 TIP3 2801 45.796 63.345 8.751 1.00 0.00 WT1 H ATOM 10884 H2 TIP3 2801 44.907 64.353 9.448 1.00 0.00 WT1 H ATOM 10885 OH2 TIP3 2802 79.586 37.898 47.646 1.00 0.00 WT1 O ATOM 10886 H1 TIP3 2802 79.836 37.983 46.726 1.00 0.00 WT1 H ATOM 10887 H2 TIP3 2802 80.381 38.114 48.133 1.00 0.00 WT1 H ATOM 10888 OH2 TIP3 2804 80.144 28.898 32.740 1.00 0.00 WT1 O ATOM 10889 H1 TIP3 2804 81.032 28.734 32.422 1.00 0.00 WT1 H ATOM 10890 H2 TIP3 2804 79.795 29.562 32.146 1.00 0.00 WT1 H ATOM 10891 OH2 TIP3 2806 35.452 22.279 44.193 1.00 0.00 WT1 O ATOM 10892 H1 TIP3 2806 35.726 21.707 44.910 1.00 0.00 WT1 H ATOM 10893 H2 TIP3 2806 35.950 21.969 43.436 1.00 0.00 WT1 H ATOM 10894 OH2 TIP3 2809 29.498 19.294 27.623 1.00 0.00 WT1 O ATOM 10895 H1 TIP3 2809 29.787 20.194 27.772 1.00 0.00 WT1 H ATOM 10896 H2 TIP3 2809 29.521 18.888 28.489 1.00 0.00 WT1 H ATOM 10897 OH2 TIP3 2810 79.225 77.366 33.124 1.00 0.00 WT1 O ATOM 10898 H1 TIP3 2810 78.350 77.345 33.511 1.00 0.00 WT1 H ATOM 10899 H2 TIP3 2810 79.185 78.072 32.479 1.00 0.00 WT1 H ATOM 10900 OH2 TIP3 2811 63.449 28.533 56.749 1.00 0.00 WT1 O ATOM 10901 H1 TIP3 2811 63.685 28.410 55.830 1.00 0.00 WT1 H ATOM 10902 H2 TIP3 2811 62.584 28.941 56.722 1.00 0.00 WT1 H ATOM 10903 OH2 TIP3 2812 35.088 72.090 25.253 1.00 0.00 WT1 O ATOM 10904 H1 TIP3 2812 34.714 71.234 25.044 1.00 0.00 WT1 H ATOM 10905 H2 TIP3 2812 36.000 71.905 25.477 1.00 0.00 WT1 H ATOM 10906 OH2 TIP3 2813 21.929 76.223 33.056 1.00 0.00 WT1 O ATOM 10907 H1 TIP3 2813 22.648 76.668 32.607 1.00 0.00 WT1 H ATOM 10908 H2 TIP3 2813 22.289 75.988 33.911 1.00 0.00 WT1 H ATOM 10909 OH2 TIP3 2814 66.141 44.173 -16.679 1.00 0.00 WT1 O ATOM 10910 H1 TIP3 2814 65.456 43.778 -16.140 1.00 0.00 WT1 H ATOM 10911 H2 TIP3 2814 66.400 44.960 -16.201 1.00 0.00 WT1 H ATOM 10912 OH2 TIP3 2815 43.416 86.874 10.999 1.00 0.00 WT1 O ATOM 10913 H1 TIP3 2815 44.029 86.143 10.914 1.00 0.00 WT1 H ATOM 10914 H2 TIP3 2815 43.045 86.978 10.122 1.00 0.00 WT1 H ATOM 10915 OH2 TIP3 2816 89.083 18.381 9.881 1.00 0.00 WT1 O ATOM 10916 H1 TIP3 2816 89.556 19.148 10.201 1.00 0.00 WT1 H ATOM 10917 H2 TIP3 2816 88.753 17.955 10.672 1.00 0.00 WT1 H ATOM 10918 OH2 TIP3 2817 74.735 6.451 60.029 1.00 0.00 WT1 O ATOM 10919 H1 TIP3 2817 74.531 5.606 60.429 1.00 0.00 WT1 H ATOM 10920 H2 TIP3 2817 73.926 6.709 59.588 1.00 0.00 WT1 H ATOM 10921 OH2 TIP3 2818 33.812 14.390 0.640 1.00 0.00 WT1 O ATOM 10922 H1 TIP3 2818 34.432 14.756 0.009 1.00 0.00 WT1 H ATOM 10923 H2 TIP3 2818 32.952 14.658 0.316 1.00 0.00 WT1 H ATOM 10924 OH2 TIP3 2819 51.519 67.874 -10.638 1.00 0.00 WT1 O ATOM 10925 H1 TIP3 2819 51.817 66.966 -10.589 1.00 0.00 WT1 H ATOM 10926 H2 TIP3 2819 50.977 67.991 -9.857 1.00 0.00 WT1 H ATOM 10927 OH2 TIP3 2820 37.276 29.621 28.494 1.00 0.00 WT1 O ATOM 10928 H1 TIP3 2820 37.959 29.865 27.869 1.00 0.00 WT1 H ATOM 10929 H2 TIP3 2820 37.296 30.313 29.154 1.00 0.00 WT1 H ATOM 10930 OH2 TIP3 2821 33.385 96.139 28.951 1.00 0.00 WT1 O ATOM 10931 H1 TIP3 2821 34.261 96.410 28.675 1.00 0.00 WT1 H ATOM 10932 H2 TIP3 2821 33.354 96.344 29.885 1.00 0.00 WT1 H ATOM 10933 OH2 TIP3 2822 78.322 53.309 -7.253 1.00 0.00 WT1 O ATOM 10934 H1 TIP3 2822 78.466 53.006 -6.356 1.00 0.00 WT1 H ATOM 10935 H2 TIP3 2822 78.813 54.128 -7.312 1.00 0.00 WT1 H ATOM 10936 OH2 TIP3 2823 79.798 96.975 2.777 1.00 0.00 WT1 O ATOM 10937 H1 TIP3 2823 80.520 96.652 2.237 1.00 0.00 WT1 H ATOM 10938 H2 TIP3 2823 79.025 96.522 2.439 1.00 0.00 WT1 H ATOM 10939 OH2 TIP3 2824 45.553 25.003 31.605 1.00 0.00 WT1 O ATOM 10940 H1 TIP3 2824 44.794 24.677 31.120 1.00 0.00 WT1 H ATOM 10941 H2 TIP3 2824 46.298 24.824 31.031 1.00 0.00 WT1 H ATOM 10942 OH2 TIP3 2825 50.500 41.322 27.101 1.00 0.00 WT1 O ATOM 10943 H1 TIP3 2825 49.604 41.303 26.763 1.00 0.00 WT1 H ATOM 10944 H2 TIP3 2825 50.704 42.253 27.187 1.00 0.00 WT1 H ATOM 10945 OH2 TIP3 2826 31.558 33.544 4.749 1.00 0.00 WT1 O ATOM 10946 H1 TIP3 2826 30.754 34.063 4.787 1.00 0.00 WT1 H ATOM 10947 H2 TIP3 2826 31.269 32.643 4.898 1.00 0.00 WT1 H ATOM 10948 OH2 TIP3 2827 23.414 14.399 42.213 1.00 0.00 WT1 O ATOM 10949 H1 TIP3 2827 24.124 14.314 42.850 1.00 0.00 WT1 H ATOM 10950 H2 TIP3 2827 23.825 14.795 41.446 1.00 0.00 WT1 H ATOM 10951 OH2 TIP3 2830 33.403 7.705 58.238 1.00 0.00 WT1 O ATOM 10952 H1 TIP3 2830 33.793 7.978 57.408 1.00 0.00 WT1 H ATOM 10953 H2 TIP3 2830 34.028 7.994 58.903 1.00 0.00 WT1 H ATOM 10954 OH2 TIP3 2831 89.281 56.192 -0.818 1.00 0.00 WT1 O ATOM 10955 H1 TIP3 2831 88.412 55.889 -1.082 1.00 0.00 WT1 H ATOM 10956 H2 TIP3 2831 89.712 56.429 -1.639 1.00 0.00 WT1 H ATOM 10957 OH2 TIP3 2832 37.028 12.683 -20.211 1.00 0.00 WT1 O ATOM 10958 H1 TIP3 2832 36.864 12.188 -19.409 1.00 0.00 WT1 H ATOM 10959 H2 TIP3 2832 36.541 13.499 -20.094 1.00 0.00 WT1 H ATOM 10960 OH2 TIP3 2833 60.573 9.747 -9.827 1.00 0.00 WT1 O ATOM 10961 H1 TIP3 2833 59.720 9.857 -10.246 1.00 0.00 WT1 H ATOM 10962 H2 TIP3 2833 60.908 10.638 -9.727 1.00 0.00 WT1 H ATOM 10963 OH2 TIP3 2834 78.896 44.961 49.784 1.00 0.00 WT1 O ATOM 10964 H1 TIP3 2834 78.064 45.338 49.498 1.00 0.00 WT1 H ATOM 10965 H2 TIP3 2834 79.469 45.716 49.917 1.00 0.00 WT1 H ATOM 10966 OH2 TIP3 2835 38.558 46.788 42.785 1.00 0.00 WT1 O ATOM 10967 H1 TIP3 2835 38.374 47.315 43.562 1.00 0.00 WT1 H ATOM 10968 H2 TIP3 2835 39.046 46.034 43.116 1.00 0.00 WT1 H ATOM 10969 OH2 TIP3 2836 53.619 0.479 -9.135 1.00 0.00 WT1 O ATOM 10970 H1 TIP3 2836 53.840 -0.359 -9.542 1.00 0.00 WT1 H ATOM 10971 H2 TIP3 2836 54.291 0.605 -8.465 1.00 0.00 WT1 H ATOM 10972 OH2 TIP3 2837 30.707 23.789 18.499 1.00 0.00 WT1 O ATOM 10973 H1 TIP3 2837 30.241 24.365 19.105 1.00 0.00 WT1 H ATOM 10974 H2 TIP3 2837 31.367 23.355 19.040 1.00 0.00 WT1 H ATOM 10975 OH2 TIP3 2838 23.473 44.430 -19.176 1.00 0.00 WT1 O ATOM 10976 H1 TIP3 2838 23.178 44.586 -18.279 1.00 0.00 WT1 H ATOM 10977 H2 TIP3 2838 24.057 43.675 -19.109 1.00 0.00 WT1 H ATOM 10978 OH2 TIP3 2839 85.294 67.713 33.008 1.00 0.00 WT1 O ATOM 10979 H1 TIP3 2839 85.504 68.614 33.254 1.00 0.00 WT1 H ATOM 10980 H2 TIP3 2839 85.867 67.175 33.554 1.00 0.00 WT1 H ATOM 10981 OH2 TIP3 2840 69.324 24.980 -16.434 1.00 0.00 WT1 O ATOM 10982 H1 TIP3 2840 68.834 25.128 -15.625 1.00 0.00 WT1 H ATOM 10983 H2 TIP3 2840 68.888 24.233 -16.844 1.00 0.00 WT1 H ATOM 10984 OH2 TIP3 2841 69.453 46.471 52.424 1.00 0.00 WT1 O ATOM 10985 H1 TIP3 2841 69.668 47.362 52.149 1.00 0.00 WT1 H ATOM 10986 H2 TIP3 2841 68.888 46.586 53.189 1.00 0.00 WT1 H ATOM 10987 OH2 TIP3 2842 77.708 32.710 -18.655 1.00 0.00 WT1 O ATOM 10988 H1 TIP3 2842 78.112 32.539 -19.506 1.00 0.00 WT1 H ATOM 10989 H2 TIP3 2842 78.342 33.260 -18.194 1.00 0.00 WT1 H ATOM 10990 OH2 TIP3 2843 20.225 13.614 -18.232 1.00 0.00 WT1 O ATOM 10991 H1 TIP3 2843 19.916 12.728 -18.043 1.00 0.00 WT1 H ATOM 10992 H2 TIP3 2843 20.685 13.883 -17.436 1.00 0.00 WT1 H ATOM 10993 OH2 TIP3 2844 20.390 49.416 21.434 1.00 0.00 WT1 O ATOM 10994 H1 TIP3 2844 19.784 49.645 22.138 1.00 0.00 WT1 H ATOM 10995 H2 TIP3 2844 21.223 49.255 21.877 1.00 0.00 WT1 H ATOM 10996 OH2 TIP3 2845 39.206 3.239 14.674 1.00 0.00 WT1 O ATOM 10997 H1 TIP3 2845 39.106 4.152 14.943 1.00 0.00 WT1 H ATOM 10998 H2 TIP3 2845 39.151 2.741 15.489 1.00 0.00 WT1 H ATOM 10999 OH2 TIP3 2846 32.838 15.361 4.962 1.00 0.00 WT1 O ATOM 11000 H1 TIP3 2846 32.374 15.947 5.559 1.00 0.00 WT1 H ATOM 11001 H2 TIP3 2846 33.428 14.861 5.526 1.00 0.00 WT1 H ATOM 11002 OH2 TIP3 2849 58.672 15.629 40.819 1.00 0.00 WT1 O ATOM 11003 H1 TIP3 2849 57.985 15.058 40.474 1.00 0.00 WT1 H ATOM 11004 H2 TIP3 2849 58.203 16.285 41.333 1.00 0.00 WT1 H ATOM 11005 OH2 TIP3 2851 62.831 59.390 27.175 1.00 0.00 WT1 O ATOM 11006 H1 TIP3 2851 62.691 60.336 27.133 1.00 0.00 WT1 H ATOM 11007 H2 TIP3 2851 62.110 59.018 26.667 1.00 0.00 WT1 H ATOM 11008 OH2 TIP3 2852 89.002 48.693 10.651 1.00 0.00 WT1 O ATOM 11009 H1 TIP3 2852 89.007 47.972 11.281 1.00 0.00 WT1 H ATOM 11010 H2 TIP3 2852 89.565 48.392 9.938 1.00 0.00 WT1 H ATOM 11011 OH2 TIP3 2853 51.043 76.151 25.717 1.00 0.00 WT1 O ATOM 11012 H1 TIP3 2853 51.919 76.024 25.352 1.00 0.00 WT1 H ATOM 11013 H2 TIP3 2853 50.451 75.985 24.984 1.00 0.00 WT1 H ATOM 11014 OH2 TIP3 2854 50.020 44.645 47.803 1.00 0.00 WT1 O ATOM 11015 H1 TIP3 2854 49.544 45.450 48.007 1.00 0.00 WT1 H ATOM 11016 H2 TIP3 2854 50.895 44.940 47.551 1.00 0.00 WT1 H ATOM 11017 OH2 TIP3 2855 53.921 75.008 -9.199 1.00 0.00 WT1 O ATOM 11018 H1 TIP3 2855 53.102 75.141 -9.677 1.00 0.00 WT1 H ATOM 11019 H2 TIP3 2855 54.601 75.054 -9.871 1.00 0.00 WT1 H ATOM 11020 OH2 TIP3 2856 32.696 42.076 -9.891 1.00 0.00 WT1 O ATOM 11021 H1 TIP3 2856 32.780 42.758 -9.225 1.00 0.00 WT1 H ATOM 11022 H2 TIP3 2856 31.940 42.342 -10.414 1.00 0.00 WT1 H ATOM 11023 OH2 TIP3 2857 79.497 7.249 -14.000 1.00 0.00 WT1 O ATOM 11024 H1 TIP3 2857 79.701 6.424 -14.440 1.00 0.00 WT1 H ATOM 11025 H2 TIP3 2857 80.334 7.541 -13.638 1.00 0.00 WT1 H ATOM 11026 OH2 TIP3 2858 73.009 3.031 -16.414 1.00 0.00 WT1 O ATOM 11027 H1 TIP3 2858 72.341 2.449 -16.053 1.00 0.00 WT1 H ATOM 11028 H2 TIP3 2858 72.527 3.816 -16.676 1.00 0.00 WT1 H ATOM 11029 OH2 TIP3 2859 52.515 33.088 9.677 1.00 0.00 WT1 O ATOM 11030 H1 TIP3 2859 51.631 32.780 9.476 1.00 0.00 WT1 H ATOM 11031 H2 TIP3 2859 52.804 32.531 10.401 1.00 0.00 WT1 H ATOM 11032 OH2 TIP3 2860 20.209 2.758 59.831 1.00 0.00 WT1 O ATOM 11033 H1 TIP3 2860 20.061 3.698 59.930 1.00 0.00 WT1 H ATOM 11034 H2 TIP3 2860 21.002 2.694 59.300 1.00 0.00 WT1 H ATOM 11035 OH2 TIP3 2861 82.531 87.149 45.985 1.00 0.00 WT1 O ATOM 11036 H1 TIP3 2861 82.680 87.959 45.497 1.00 0.00 WT1 H ATOM 11037 H2 TIP3 2861 81.587 87.132 46.140 1.00 0.00 WT1 H ATOM 11038 OH2 TIP3 2862 85.199 76.952 1.015 1.00 0.00 WT1 O ATOM 11039 H1 TIP3 2862 84.346 76.567 0.815 1.00 0.00 WT1 H ATOM 11040 H2 TIP3 2862 85.832 76.282 0.756 1.00 0.00 WT1 H ATOM 11041 OH2 TIP3 2863 56.564 17.362 -11.287 1.00 0.00 WT1 O ATOM 11042 H1 TIP3 2863 57.444 17.368 -10.910 1.00 0.00 WT1 H ATOM 11043 H2 TIP3 2863 55.992 17.630 -10.567 1.00 0.00 WT1 H ATOM 11044 OH2 TIP3 2864 43.971 43.263 24.706 1.00 0.00 WT1 O ATOM 11045 H1 TIP3 2864 44.287 43.833 25.408 1.00 0.00 WT1 H ATOM 11046 H2 TIP3 2864 44.760 42.843 24.365 1.00 0.00 WT1 H ATOM 11047 OH2 TIP3 2865 74.696 47.561 51.100 1.00 0.00 WT1 O ATOM 11048 H1 TIP3 2865 74.815 48.424 51.496 1.00 0.00 WT1 H ATOM 11049 H2 TIP3 2865 73.826 47.598 50.703 1.00 0.00 WT1 H ATOM 11050 OH2 TIP3 2866 40.930 47.486 8.343 1.00 0.00 WT1 O ATOM 11051 H1 TIP3 2866 41.882 47.548 8.265 1.00 0.00 WT1 H ATOM 11052 H2 TIP3 2866 40.743 47.784 9.233 1.00 0.00 WT1 H ATOM 11053 OH2 TIP3 2867 40.481 59.831 -14.459 1.00 0.00 WT1 O ATOM 11054 H1 TIP3 2867 40.371 60.655 -14.933 1.00 0.00 WT1 H ATOM 11055 H2 TIP3 2867 40.401 60.073 -13.536 1.00 0.00 WT1 H ATOM 11056 OH2 TIP3 2868 44.632 43.965 -3.114 1.00 0.00 WT1 O ATOM 11057 H1 TIP3 2868 44.883 43.349 -3.802 1.00 0.00 WT1 H ATOM 11058 H2 TIP3 2868 45.430 44.463 -2.935 1.00 0.00 WT1 H ATOM 11059 OH2 TIP3 2871 47.276 45.914 51.752 1.00 0.00 WT1 O ATOM 11060 H1 TIP3 2871 47.095 46.048 50.821 1.00 0.00 WT1 H ATOM 11061 H2 TIP3 2871 47.470 46.790 52.087 1.00 0.00 WT1 H ATOM 11062 OH2 TIP3 2872 49.432 68.466 51.165 1.00 0.00 WT1 O ATOM 11063 H1 TIP3 2872 48.935 68.180 50.399 1.00 0.00 WT1 H ATOM 11064 H2 TIP3 2872 50.334 68.209 50.975 1.00 0.00 WT1 H ATOM 11065 OH2 TIP3 2873 26.216 89.147 3.809 1.00 0.00 WT1 O ATOM 11066 H1 TIP3 2873 26.763 89.436 4.540 1.00 0.00 WT1 H ATOM 11067 H2 TIP3 2873 25.383 88.906 4.214 1.00 0.00 WT1 H ATOM 11068 OH2 TIP3 2874 65.919 95.919 2.223 1.00 0.00 WT1 O ATOM 11069 H1 TIP3 2874 66.002 95.768 1.282 1.00 0.00 WT1 H ATOM 11070 H2 TIP3 2874 65.480 96.767 2.293 1.00 0.00 WT1 H ATOM 11071 OH2 TIP3 2875 32.146 31.903 65.037 1.00 0.00 WT1 O ATOM 11072 H1 TIP3 2875 31.797 32.019 65.920 1.00 0.00 WT1 H ATOM 11073 H2 TIP3 2875 32.039 32.759 64.622 1.00 0.00 WT1 H ATOM 11074 OH2 TIP3 2876 84.042 87.331 40.506 1.00 0.00 WT1 O ATOM 11075 H1 TIP3 2876 84.040 88.207 40.120 1.00 0.00 WT1 H ATOM 11076 H2 TIP3 2876 83.148 87.012 40.379 1.00 0.00 WT1 H ATOM 11077 OH2 TIP3 2877 44.655 10.321 37.277 1.00 0.00 WT1 O ATOM 11078 H1 TIP3 2877 44.036 10.209 36.555 1.00 0.00 WT1 H ATOM 11079 H2 TIP3 2877 45.517 10.278 36.862 1.00 0.00 WT1 H ATOM 11080 OH2 TIP3 2878 70.981 16.953 13.167 1.00 0.00 WT1 O ATOM 11081 H1 TIP3 2878 70.469 16.278 13.612 1.00 0.00 WT1 H ATOM 11082 H2 TIP3 2878 71.204 16.566 12.320 1.00 0.00 WT1 H ATOM 11083 OH2 TIP3 2879 50.207 57.913 -3.214 1.00 0.00 WT1 O ATOM 11084 H1 TIP3 2879 50.719 58.537 -3.729 1.00 0.00 WT1 H ATOM 11085 H2 TIP3 2879 50.799 57.173 -3.076 1.00 0.00 WT1 H ATOM 11086 OH2 TIP3 2880 72.172 67.624 34.157 1.00 0.00 WT1 O ATOM 11087 H1 TIP3 2880 72.086 68.497 33.775 1.00 0.00 WT1 H ATOM 11088 H2 TIP3 2880 71.299 67.240 34.076 1.00 0.00 WT1 H ATOM 11089 OH2 TIP3 2881 70.446 57.424 11.279 1.00 0.00 WT1 O ATOM 11090 H1 TIP3 2881 69.952 56.625 11.464 1.00 0.00 WT1 H ATOM 11091 H2 TIP3 2881 71.236 57.346 11.815 1.00 0.00 WT1 H ATOM 11092 OH2 TIP3 2882 30.115 68.064 21.162 1.00 0.00 WT1 O ATOM 11093 H1 TIP3 2882 30.797 67.454 20.880 1.00 0.00 WT1 H ATOM 11094 H2 TIP3 2882 30.527 68.580 21.855 1.00 0.00 WT1 H ATOM 11095 OH2 TIP3 2883 24.092 71.252 43.826 1.00 0.00 WT1 O ATOM 11096 H1 TIP3 2883 23.544 71.115 43.053 1.00 0.00 WT1 H ATOM 11097 H2 TIP3 2883 23.472 71.312 44.552 1.00 0.00 WT1 H ATOM 11098 OH2 TIP3 2884 80.494 45.814 14.178 1.00 0.00 WT1 O ATOM 11099 H1 TIP3 2884 80.298 46.015 15.093 1.00 0.00 WT1 H ATOM 11100 H2 TIP3 2884 80.323 44.876 14.097 1.00 0.00 WT1 H ATOM 11101 OH2 TIP3 2886 54.960 4.077 -6.890 1.00 0.00 WT1 O ATOM 11102 H1 TIP3 2886 54.524 4.193 -7.735 1.00 0.00 WT1 H ATOM 11103 H2 TIP3 2886 54.423 4.573 -6.273 1.00 0.00 WT1 H ATOM 11104 OH2 TIP3 2887 21.276 34.103 56.210 1.00 0.00 WT1 O ATOM 11105 H1 TIP3 2887 20.563 34.650 56.540 1.00 0.00 WT1 H ATOM 11106 H2 TIP3 2887 21.299 33.353 56.805 1.00 0.00 WT1 H ATOM 11107 OH2 TIP3 2889 79.898 15.043 1.313 1.00 0.00 WT1 O ATOM 11108 H1 TIP3 2889 80.433 15.629 0.777 1.00 0.00 WT1 H ATOM 11109 H2 TIP3 2889 79.736 15.536 2.118 1.00 0.00 WT1 H ATOM 11110 OH2 TIP3 2890 46.433 52.248 60.902 1.00 0.00 WT1 O ATOM 11111 H1 TIP3 2890 46.551 51.309 61.040 1.00 0.00 WT1 H ATOM 11112 H2 TIP3 2890 46.131 52.579 61.748 1.00 0.00 WT1 H ATOM 11113 OH2 TIP3 2891 67.575 14.445 9.317 1.00 0.00 WT1 O ATOM 11114 H1 TIP3 2891 67.827 15.345 9.113 1.00 0.00 WT1 H ATOM 11115 H2 TIP3 2891 68.300 13.913 8.989 1.00 0.00 WT1 H ATOM 11116 OH2 TIP3 2894 43.958 8.996 8.463 1.00 0.00 WT1 O ATOM 11117 H1 TIP3 2894 43.607 8.106 8.430 1.00 0.00 WT1 H ATOM 11118 H2 TIP3 2894 43.402 9.495 7.865 1.00 0.00 WT1 H ATOM 11119 OH2 TIP3 2895 61.136 92.339 50.986 1.00 0.00 WT1 O ATOM 11120 H1 TIP3 2895 60.364 91.774 51.015 1.00 0.00 WT1 H ATOM 11121 H2 TIP3 2895 61.667 91.983 50.273 1.00 0.00 WT1 H ATOM 11122 OH2 TIP3 2896 63.016 54.121 33.500 1.00 0.00 WT1 O ATOM 11123 H1 TIP3 2896 62.477 54.721 32.985 1.00 0.00 WT1 H ATOM 11124 H2 TIP3 2896 63.158 54.578 34.329 1.00 0.00 WT1 H ATOM 11125 OH2 TIP3 2898 67.008 37.907 -5.593 1.00 0.00 WT1 O ATOM 11126 H1 TIP3 2898 67.701 37.764 -6.237 1.00 0.00 WT1 H ATOM 11127 H2 TIP3 2898 67.268 38.706 -5.135 1.00 0.00 WT1 H ATOM 11128 OH2 TIP3 2899 48.589 77.852 41.509 1.00 0.00 WT1 O ATOM 11129 H1 TIP3 2899 48.360 77.696 42.426 1.00 0.00 WT1 H ATOM 11130 H2 TIP3 2899 47.870 78.386 41.170 1.00 0.00 WT1 H ATOM 11131 OH2 TIP3 2900 51.319 9.125 -6.395 1.00 0.00 WT1 O ATOM 11132 H1 TIP3 2900 51.286 9.121 -7.352 1.00 0.00 WT1 H ATOM 11133 H2 TIP3 2900 50.554 8.615 -6.127 1.00 0.00 WT1 H ATOM 11134 OH2 TIP3 2901 71.043 66.620 56.196 1.00 0.00 WT1 O ATOM 11135 H1 TIP3 2901 71.127 66.493 55.251 1.00 0.00 WT1 H ATOM 11136 H2 TIP3 2901 70.711 67.512 56.289 1.00 0.00 WT1 H ATOM 11137 OH2 TIP3 2902 60.347 61.890 53.057 1.00 0.00 WT1 O ATOM 11138 H1 TIP3 2902 59.745 62.550 52.715 1.00 0.00 WT1 H ATOM 11139 H2 TIP3 2902 61.148 62.006 52.546 1.00 0.00 WT1 H ATOM 11140 OH2 TIP3 2903 69.848 26.416 11.143 1.00 0.00 WT1 O ATOM 11141 H1 TIP3 2903 70.362 26.993 11.707 1.00 0.00 WT1 H ATOM 11142 H2 TIP3 2903 70.446 26.177 10.435 1.00 0.00 WT1 H ATOM 11143 OH2 TIP3 2904 27.931 17.290 1.895 1.00 0.00 WT1 O ATOM 11144 H1 TIP3 2904 28.645 17.175 2.522 1.00 0.00 WT1 H ATOM 11145 H2 TIP3 2904 27.489 16.442 1.876 1.00 0.00 WT1 H ATOM 11146 OH2 TIP3 2905 47.515 60.184 -12.206 1.00 0.00 WT1 O ATOM 11147 H1 TIP3 2905 47.942 60.443 -11.390 1.00 0.00 WT1 H ATOM 11148 H2 TIP3 2905 47.312 61.010 -12.644 1.00 0.00 WT1 H ATOM 11149 OH2 TIP3 2906 77.671 39.777 48.106 1.00 0.00 WT1 O ATOM 11150 H1 TIP3 2906 77.551 40.028 49.022 1.00 0.00 WT1 H ATOM 11151 H2 TIP3 2906 78.339 39.091 48.131 1.00 0.00 WT1 H ATOM 11152 OH2 TIP3 2908 61.575 45.550 6.848 1.00 0.00 WT1 O ATOM 11153 H1 TIP3 2908 62.104 44.965 7.391 1.00 0.00 WT1 H ATOM 11154 H2 TIP3 2908 61.671 46.409 7.258 1.00 0.00 WT1 H ATOM 11155 OH2 TIP3 2909 45.140 45.891 59.103 1.00 0.00 WT1 O ATOM 11156 H1 TIP3 2909 44.902 46.062 60.014 1.00 0.00 WT1 H ATOM 11157 H2 TIP3 2909 45.432 46.738 58.768 1.00 0.00 WT1 H ATOM 11158 OH2 TIP3 2910 76.377 38.426 -11.100 1.00 0.00 WT1 O ATOM 11159 H1 TIP3 2910 76.901 38.315 -10.307 1.00 0.00 WT1 H ATOM 11160 H2 TIP3 2910 75.546 37.994 -10.901 1.00 0.00 WT1 H ATOM 11161 OH2 TIP3 2912 33.221 76.938 35.118 1.00 0.00 WT1 O ATOM 11162 H1 TIP3 2912 33.304 77.891 35.119 1.00 0.00 WT1 H ATOM 11163 H2 TIP3 2912 34.014 76.628 35.555 1.00 0.00 WT1 H ATOM 11164 OH2 TIP3 2913 29.843 19.477 -3.927 1.00 0.00 WT1 O ATOM 11165 H1 TIP3 2913 30.100 20.265 -3.448 1.00 0.00 WT1 H ATOM 11166 H2 TIP3 2913 30.497 18.823 -3.681 1.00 0.00 WT1 H ATOM 11167 OH2 TIP3 2914 50.087 20.082 53.260 1.00 0.00 WT1 O ATOM 11168 H1 TIP3 2914 49.651 19.532 53.911 1.00 0.00 WT1 H ATOM 11169 H2 TIP3 2914 49.504 20.063 52.501 1.00 0.00 WT1 H ATOM 11170 OH2 TIP3 2916 25.097 41.191 25.180 1.00 0.00 WT1 O ATOM 11171 H1 TIP3 2916 25.974 41.220 25.562 1.00 0.00 WT1 H ATOM 11172 H2 TIP3 2916 25.241 41.298 24.240 1.00 0.00 WT1 H ATOM 11173 OH2 TIP3 2917 46.605 40.608 42.383 1.00 0.00 WT1 O ATOM 11174 H1 TIP3 2917 46.076 39.845 42.149 1.00 0.00 WT1 H ATOM 11175 H2 TIP3 2917 46.162 41.345 41.962 1.00 0.00 WT1 H ATOM 11176 OH2 TIP3 2918 67.354 23.071 -0.678 1.00 0.00 WT1 O ATOM 11177 H1 TIP3 2918 66.907 22.768 0.112 1.00 0.00 WT1 H ATOM 11178 H2 TIP3 2918 67.496 24.006 -0.529 1.00 0.00 WT1 H ATOM 11179 OH2 TIP3 2919 49.195 39.436 32.091 1.00 0.00 WT1 O ATOM 11180 H1 TIP3 2919 49.251 39.341 31.140 1.00 0.00 WT1 H ATOM 11181 H2 TIP3 2919 48.784 38.625 32.390 1.00 0.00 WT1 H ATOM 11182 OH2 TIP3 2920 51.016 65.542 66.533 1.00 0.00 WT1 O ATOM 11183 H1 TIP3 2920 51.632 65.446 67.259 1.00 0.00 WT1 H ATOM 11184 H2 TIP3 2920 50.730 66.454 66.579 1.00 0.00 WT1 H ATOM 11185 OH2 TIP3 2921 30.281 24.649 32.018 1.00 0.00 WT1 O ATOM 11186 H1 TIP3 2921 29.554 25.263 32.123 1.00 0.00 WT1 H ATOM 11187 H2 TIP3 2921 31.055 25.148 32.278 1.00 0.00 WT1 H ATOM 11188 OH2 TIP3 2922 48.787 92.908 8.502 1.00 0.00 WT1 O ATOM 11189 H1 TIP3 2922 48.774 93.821 8.792 1.00 0.00 WT1 H ATOM 11190 H2 TIP3 2922 47.956 92.547 8.809 1.00 0.00 WT1 H ATOM 11191 OH2 TIP3 2923 63.279 35.580 65.012 1.00 0.00 WT1 O ATOM 11192 H1 TIP3 2923 64.000 35.399 65.614 1.00 0.00 WT1 H ATOM 11193 H2 TIP3 2923 63.683 35.568 64.144 1.00 0.00 WT1 H ATOM 11194 OH2 TIP3 2925 33.147 32.636 -9.180 1.00 0.00 WT1 O ATOM 11195 H1 TIP3 2925 32.273 33.024 -9.154 1.00 0.00 WT1 H ATOM 11196 H2 TIP3 2925 33.647 33.125 -8.526 1.00 0.00 WT1 H ATOM 11197 OH2 TIP3 2926 27.325 94.892 26.680 1.00 0.00 WT1 O ATOM 11198 H1 TIP3 2926 27.175 93.950 26.599 1.00 0.00 WT1 H ATOM 11199 H2 TIP3 2926 26.991 95.115 27.549 1.00 0.00 WT1 H ATOM 11200 OH2 TIP3 2927 67.748 94.017 17.647 1.00 0.00 WT1 O ATOM 11201 H1 TIP3 2927 67.475 93.124 17.438 1.00 0.00 WT1 H ATOM 11202 H2 TIP3 2927 67.803 94.456 16.798 1.00 0.00 WT1 H ATOM 11203 OH2 TIP3 2928 24.384 77.293 65.335 1.00 0.00 WT1 O ATOM 11204 H1 TIP3 2928 24.527 78.150 64.932 1.00 0.00 WT1 H ATOM 11205 H2 TIP3 2928 24.008 77.491 66.192 1.00 0.00 WT1 H ATOM 11206 OH2 TIP3 2930 60.299 32.521 -12.155 1.00 0.00 WT1 O ATOM 11207 H1 TIP3 2930 60.941 32.508 -11.445 1.00 0.00 WT1 H ATOM 11208 H2 TIP3 2930 59.654 31.858 -11.908 1.00 0.00 WT1 H ATOM 11209 OH2 TIP3 2931 66.191 67.687 23.799 1.00 0.00 WT1 O ATOM 11210 H1 TIP3 2931 66.296 67.639 22.849 1.00 0.00 WT1 H ATOM 11211 H2 TIP3 2931 65.311 68.043 23.926 1.00 0.00 WT1 H ATOM 11212 OH2 TIP3 2932 83.682 44.908 2.185 1.00 0.00 WT1 O ATOM 11213 H1 TIP3 2932 82.799 44.542 2.232 1.00 0.00 WT1 H ATOM 11214 H2 TIP3 2932 83.710 45.559 2.886 1.00 0.00 WT1 H ATOM 11215 OH2 TIP3 2936 82.243 59.422 38.170 1.00 0.00 WT1 O ATOM 11216 H1 TIP3 2936 81.903 58.614 37.784 1.00 0.00 WT1 H ATOM 11217 H2 TIP3 2936 81.496 60.021 38.169 1.00 0.00 WT1 H ATOM 11218 OH2 TIP3 2937 34.628 50.587 23.359 1.00 0.00 WT1 O ATOM 11219 H1 TIP3 2937 35.078 51.432 23.377 1.00 0.00 WT1 H ATOM 11220 H2 TIP3 2937 34.167 50.578 22.520 1.00 0.00 WT1 H ATOM 11221 OH2 TIP3 2938 77.579 23.989 52.992 1.00 0.00 WT1 O ATOM 11222 H1 TIP3 2938 77.400 24.724 52.406 1.00 0.00 WT1 H ATOM 11223 H2 TIP3 2938 76.743 23.526 53.059 1.00 0.00 WT1 H ATOM 11224 OH2 TIP3 2939 22.608 53.361 27.269 1.00 0.00 WT1 O ATOM 11225 H1 TIP3 2939 22.978 54.135 26.846 1.00 0.00 WT1 H ATOM 11226 H2 TIP3 2939 23.335 52.740 27.312 1.00 0.00 WT1 H ATOM 11227 OH2 TIP3 2941 48.908 0.986 29.082 1.00 0.00 WT1 O ATOM 11228 H1 TIP3 2941 48.282 0.312 28.819 1.00 0.00 WT1 H ATOM 11229 H2 TIP3 2941 49.535 1.026 28.360 1.00 0.00 WT1 H ATOM 11230 OH2 TIP3 2943 88.239 52.956 -11.160 1.00 0.00 WT1 O ATOM 11231 H1 TIP3 2943 88.438 53.541 -11.891 1.00 0.00 WT1 H ATOM 11232 H2 TIP3 2943 87.729 52.247 -11.552 1.00 0.00 WT1 H ATOM 11233 OH2 TIP3 2944 70.182 14.463 50.060 1.00 0.00 WT1 O ATOM 11234 H1 TIP3 2944 69.730 13.868 49.462 1.00 0.00 WT1 H ATOM 11235 H2 TIP3 2944 69.534 15.137 50.264 1.00 0.00 WT1 H ATOM 11236 OH2 TIP3 2945 71.178 53.691 -0.300 1.00 0.00 WT1 O ATOM 11237 H1 TIP3 2945 71.225 54.600 -0.596 1.00 0.00 WT1 H ATOM 11238 H2 TIP3 2945 70.823 53.745 0.588 1.00 0.00 WT1 H ATOM 11239 OH2 TIP3 2946 37.728 16.571 -13.065 1.00 0.00 WT1 O ATOM 11240 H1 TIP3 2946 37.996 16.538 -12.147 1.00 0.00 WT1 H ATOM 11241 H2 TIP3 2946 36.955 16.009 -13.110 1.00 0.00 WT1 H ATOM 11242 OH2 TIP3 2947 54.569 20.975 20.855 1.00 0.00 WT1 O ATOM 11243 H1 TIP3 2947 54.741 21.879 20.593 1.00 0.00 WT1 H ATOM 11244 H2 TIP3 2947 53.641 20.841 20.662 1.00 0.00 WT1 H ATOM 11245 OH2 TIP3 2950 73.300 64.264 36.661 1.00 0.00 WT1 O ATOM 11246 H1 TIP3 2950 73.800 64.836 37.243 1.00 0.00 WT1 H ATOM 11247 H2 TIP3 2950 72.390 64.537 36.780 1.00 0.00 WT1 H ATOM 11248 OH2 TIP3 2951 52.677 11.970 66.193 1.00 0.00 WT1 O ATOM 11249 H1 TIP3 2951 53.261 11.263 66.467 1.00 0.00 WT1 H ATOM 11250 H2 TIP3 2951 51.823 11.728 66.551 1.00 0.00 WT1 H ATOM 11251 OH2 TIP3 2952 43.337 91.354 -14.379 1.00 0.00 WT1 O ATOM 11252 H1 TIP3 2952 43.360 91.257 -15.331 1.00 0.00 WT1 H ATOM 11253 H2 TIP3 2952 42.581 90.837 -14.103 1.00 0.00 WT1 H ATOM 11254 OH2 TIP3 2956 45.607 19.652 1.028 1.00 0.00 WT1 O ATOM 11255 H1 TIP3 2956 45.858 20.216 1.759 1.00 0.00 WT1 H ATOM 11256 H2 TIP3 2956 44.754 19.985 0.749 1.00 0.00 WT1 H ATOM 11257 OH2 TIP3 2957 26.534 8.453 53.781 1.00 0.00 WT1 O ATOM 11258 H1 TIP3 2957 26.188 7.754 54.335 1.00 0.00 WT1 H ATOM 11259 H2 TIP3 2957 27.456 8.522 54.030 1.00 0.00 WT1 H ATOM 11260 OH2 TIP3 2959 52.686 59.752 -17.417 1.00 0.00 WT1 O ATOM 11261 H1 TIP3 2959 53.090 60.109 -18.208 1.00 0.00 WT1 H ATOM 11262 H2 TIP3 2959 53.269 60.022 -16.707 1.00 0.00 WT1 H ATOM 11263 OH2 TIP3 2960 40.235 41.734 64.136 1.00 0.00 WT1 O ATOM 11264 H1 TIP3 2960 40.569 42.621 64.002 1.00 0.00 WT1 H ATOM 11265 H2 TIP3 2960 40.544 41.243 63.375 1.00 0.00 WT1 H ATOM 11266 OH2 TIP3 2961 86.738 19.690 39.360 1.00 0.00 WT1 O ATOM 11267 H1 TIP3 2961 86.872 20.542 39.776 1.00 0.00 WT1 H ATOM 11268 H2 TIP3 2961 86.919 19.054 40.051 1.00 0.00 WT1 H ATOM 11269 OH2 TIP3 2962 41.208 90.068 40.979 1.00 0.00 WT1 O ATOM 11270 H1 TIP3 2962 41.150 89.810 41.898 1.00 0.00 WT1 H ATOM 11271 H2 TIP3 2962 40.589 90.794 40.894 1.00 0.00 WT1 H ATOM 11272 OH2 TIP3 2963 53.568 34.101 51.027 1.00 0.00 WT1 O ATOM 11273 H1 TIP3 2963 53.642 33.298 50.512 1.00 0.00 WT1 H ATOM 11274 H2 TIP3 2963 53.126 34.720 50.445 1.00 0.00 WT1 H ATOM 11275 OH2 TIP3 2964 23.689 51.820 -18.867 1.00 0.00 WT1 O ATOM 11276 H1 TIP3 2964 22.974 51.218 -18.661 1.00 0.00 WT1 H ATOM 11277 H2 TIP3 2964 23.280 52.510 -19.389 1.00 0.00 WT1 H ATOM 11278 OH2 TIP3 2965 83.307 31.386 67.324 1.00 0.00 WT1 O ATOM 11279 H1 TIP3 2965 84.004 31.248 66.682 1.00 0.00 WT1 H ATOM 11280 H2 TIP3 2965 83.278 32.335 67.447 1.00 0.00 WT1 H ATOM 11281 OH2 TIP3 2966 76.675 72.988 -7.576 1.00 0.00 WT1 O ATOM 11282 H1 TIP3 2966 76.862 73.561 -8.319 1.00 0.00 WT1 H ATOM 11283 H2 TIP3 2966 76.162 72.271 -7.948 1.00 0.00 WT1 H ATOM 11284 OH2 TIP3 2967 76.075 36.232 51.252 1.00 0.00 WT1 O ATOM 11285 H1 TIP3 2967 75.792 35.577 51.890 1.00 0.00 WT1 H ATOM 11286 H2 TIP3 2967 75.904 35.828 50.401 1.00 0.00 WT1 H ATOM 11287 OH2 TIP3 2968 79.380 66.512 9.811 1.00 0.00 WT1 O ATOM 11288 H1 TIP3 2968 79.501 66.040 10.635 1.00 0.00 WT1 H ATOM 11289 H2 TIP3 2968 79.667 65.896 9.137 1.00 0.00 WT1 H ATOM 11290 OH2 TIP3 2969 33.333 61.765 32.890 1.00 0.00 WT1 O ATOM 11291 H1 TIP3 2969 33.222 61.428 33.779 1.00 0.00 WT1 H ATOM 11292 H2 TIP3 2969 34.234 62.087 32.866 1.00 0.00 WT1 H ATOM 11293 OH2 TIP3 2971 24.677 26.310 50.530 1.00 0.00 WT1 O ATOM 11294 H1 TIP3 2971 24.941 26.982 51.160 1.00 0.00 WT1 H ATOM 11295 H2 TIP3 2971 25.190 25.539 50.773 1.00 0.00 WT1 H ATOM 11296 OH2 TIP3 2972 21.861 47.738 67.027 1.00 0.00 WT1 O ATOM 11297 H1 TIP3 2972 22.687 47.473 66.622 1.00 0.00 WT1 H ATOM 11298 H2 TIP3 2972 21.255 47.834 66.292 1.00 0.00 WT1 H ATOM 11299 OH2 TIP3 2978 88.182 67.156 11.928 1.00 0.00 WT1 O ATOM 11300 H1 TIP3 2978 89.009 67.282 11.463 1.00 0.00 WT1 H ATOM 11301 H2 TIP3 2978 87.537 67.014 11.236 1.00 0.00 WT1 H ATOM 11302 OH2 TIP3 2979 26.812 14.070 56.699 1.00 0.00 WT1 O ATOM 11303 H1 TIP3 2979 27.106 13.182 56.493 1.00 0.00 WT1 H ATOM 11304 H2 TIP3 2979 27.619 14.583 56.754 1.00 0.00 WT1 H ATOM 11305 OH2 TIP3 2981 80.481 7.827 58.188 1.00 0.00 WT1 O ATOM 11306 H1 TIP3 2981 80.457 8.485 58.883 1.00 0.00 WT1 H ATOM 11307 H2 TIP3 2981 81.287 8.014 57.708 1.00 0.00 WT1 H ATOM 11308 OH2 TIP3 2982 41.187 23.055 6.644 1.00 0.00 WT1 O ATOM 11309 H1 TIP3 2982 42.027 23.008 7.101 1.00 0.00 WT1 H ATOM 11310 H2 TIP3 2982 40.596 23.475 7.270 1.00 0.00 WT1 H ATOM 11311 OH2 TIP3 2983 46.413 18.211 65.742 1.00 0.00 WT1 O ATOM 11312 H1 TIP3 2983 47.025 17.567 65.385 1.00 0.00 WT1 H ATOM 11313 H2 TIP3 2983 46.823 18.507 66.555 1.00 0.00 WT1 H ATOM 11314 OH2 TIP3 2984 64.553 69.712 -12.497 1.00 0.00 WT1 O ATOM 11315 H1 TIP3 2984 65.325 69.166 -12.646 1.00 0.00 WT1 H ATOM 11316 H2 TIP3 2984 63.869 69.095 -12.236 1.00 0.00 WT1 H ATOM 11317 OH2 TIP3 2985 41.618 33.931 38.379 1.00 0.00 WT1 O ATOM 11318 H1 TIP3 2985 42.494 33.719 38.056 1.00 0.00 WT1 H ATOM 11319 H2 TIP3 2985 41.519 34.868 38.208 1.00 0.00 WT1 H ATOM 11320 OH2 TIP3 2986 89.180 26.184 7.183 1.00 0.00 WT1 O ATOM 11321 H1 TIP3 2986 89.758 26.367 6.443 1.00 0.00 WT1 H ATOM 11322 H2 TIP3 2986 89.742 26.265 7.953 1.00 0.00 WT1 H ATOM 11323 OH2 TIP3 2987 35.321 45.656 -10.799 1.00 0.00 WT1 O ATOM 11324 H1 TIP3 2987 34.377 45.505 -10.840 1.00 0.00 WT1 H ATOM 11325 H2 TIP3 2987 35.411 46.501 -10.359 1.00 0.00 WT1 H ATOM 11326 OH2 TIP3 2988 83.375 52.097 8.566 1.00 0.00 WT1 O ATOM 11327 H1 TIP3 2988 82.469 51.936 8.831 1.00 0.00 WT1 H ATOM 11328 H2 TIP3 2988 83.830 52.306 9.382 1.00 0.00 WT1 H ATOM 11329 OH2 TIP3 2989 78.890 65.312 -5.670 1.00 0.00 WT1 O ATOM 11330 H1 TIP3 2989 79.818 65.210 -5.459 1.00 0.00 WT1 H ATOM 11331 H2 TIP3 2989 78.484 65.581 -4.846 1.00 0.00 WT1 H ATOM 11332 OH2 TIP3 2990 53.922 68.683 13.256 1.00 0.00 WT1 O ATOM 11333 H1 TIP3 2990 53.956 69.544 13.675 1.00 0.00 WT1 H ATOM 11334 H2 TIP3 2990 54.825 68.365 13.288 1.00 0.00 WT1 H ATOM 11335 OH2 TIP3 2991 90.027 14.053 -6.812 1.00 0.00 WT1 O ATOM 11336 H1 TIP3 2991 90.893 14.399 -7.028 1.00 0.00 WT1 H ATOM 11337 H2 TIP3 2991 89.892 14.297 -5.897 1.00 0.00 WT1 H ATOM 11338 OH2 TIP3 2992 24.970 64.462 40.762 1.00 0.00 WT1 O ATOM 11339 H1 TIP3 2992 25.023 63.913 39.980 1.00 0.00 WT1 H ATOM 11340 H2 TIP3 2992 25.224 63.883 41.480 1.00 0.00 WT1 H ATOM 11341 OH2 TIP3 2993 38.598 27.741 -6.770 1.00 0.00 WT1 O ATOM 11342 H1 TIP3 2993 38.807 28.327 -7.497 1.00 0.00 WT1 H ATOM 11343 H2 TIP3 2993 38.194 28.307 -6.113 1.00 0.00 WT1 H ATOM 11344 OH2 TIP3 2998 54.637 67.976 43.431 1.00 0.00 WT1 O ATOM 11345 H1 TIP3 2998 55.166 68.719 43.719 1.00 0.00 WT1 H ATOM 11346 H2 TIP3 2998 54.980 67.759 42.564 1.00 0.00 WT1 H ATOM 11347 OH2 TIP3 3000 79.740 59.108 34.760 1.00 0.00 WT1 O ATOM 11348 H1 TIP3 3000 80.581 59.289 34.341 1.00 0.00 WT1 H ATOM 11349 H2 TIP3 3000 79.439 59.962 35.071 1.00 0.00 WT1 H ATOM 11350 OH2 TIP3 3001 33.620 33.468 38.542 1.00 0.00 WT1 O ATOM 11351 H1 TIP3 3001 34.357 33.229 37.980 1.00 0.00 WT1 H ATOM 11352 H2 TIP3 3001 33.362 34.339 38.241 1.00 0.00 WT1 H ATOM 11353 OH2 TIP3 3002 78.248 73.148 -16.467 1.00 0.00 WT1 O ATOM 11354 H1 TIP3 3002 78.347 72.209 -16.621 1.00 0.00 WT1 H ATOM 11355 H2 TIP3 3002 78.878 73.346 -15.775 1.00 0.00 WT1 H ATOM 11356 OH2 TIP3 3003 27.362 27.288 65.927 1.00 0.00 WT1 O ATOM 11357 H1 TIP3 3003 26.418 27.163 66.023 1.00 0.00 WT1 H ATOM 11358 H2 TIP3 3003 27.446 28.085 65.403 1.00 0.00 WT1 H ATOM 11359 OH2 TIP3 3004 47.260 36.276 22.131 1.00 0.00 WT1 O ATOM 11360 H1 TIP3 3004 47.764 36.892 21.600 1.00 0.00 WT1 H ATOM 11361 H2 TIP3 3004 47.571 36.420 23.025 1.00 0.00 WT1 H ATOM 11362 OH2 TIP3 3005 68.126 19.070 66.943 1.00 0.00 WT1 O ATOM 11363 H1 TIP3 3005 68.432 19.377 66.089 1.00 0.00 WT1 H ATOM 11364 H2 TIP3 3005 67.579 18.310 66.744 1.00 0.00 WT1 H ATOM 11365 OH2 TIP3 3006 34.749 51.224 57.151 1.00 0.00 WT1 O ATOM 11366 H1 TIP3 3006 34.752 50.398 57.633 1.00 0.00 WT1 H ATOM 11367 H2 TIP3 3006 34.002 51.707 57.506 1.00 0.00 WT1 H ATOM 11368 OH2 TIP3 3007 86.270 55.438 8.074 1.00 0.00 WT1 O ATOM 11369 H1 TIP3 3007 86.859 55.020 8.702 1.00 0.00 WT1 H ATOM 11370 H2 TIP3 3007 86.025 56.265 8.489 1.00 0.00 WT1 H ATOM 11371 OH2 TIP3 3008 60.607 61.454 23.466 1.00 0.00 WT1 O ATOM 11372 H1 TIP3 3008 60.564 62.228 22.904 1.00 0.00 WT1 H ATOM 11373 H2 TIP3 3008 59.830 61.516 24.021 1.00 0.00 WT1 H ATOM 11374 OH2 TIP3 3009 78.340 94.146 44.935 1.00 0.00 WT1 O ATOM 11375 H1 TIP3 3009 78.228 93.717 44.086 1.00 0.00 WT1 H ATOM 11376 H2 TIP3 3009 77.447 94.325 45.232 1.00 0.00 WT1 H ATOM 11377 OH2 TIP3 3010 71.561 15.798 63.134 1.00 0.00 WT1 O ATOM 11378 H1 TIP3 3010 71.816 15.968 64.040 1.00 0.00 WT1 H ATOM 11379 H2 TIP3 3010 71.036 16.559 62.885 1.00 0.00 WT1 H ATOM 11380 OH2 TIP3 3011 85.716 80.119 53.382 1.00 0.00 WT1 O ATOM 11381 H1 TIP3 3011 85.903 80.938 53.840 1.00 0.00 WT1 H ATOM 11382 H2 TIP3 3011 85.465 80.390 52.499 1.00 0.00 WT1 H ATOM 11383 OH2 TIP3 3012 31.988 10.119 12.177 1.00 0.00 WT1 O ATOM 11384 H1 TIP3 3012 31.478 9.454 12.639 1.00 0.00 WT1 H ATOM 11385 H2 TIP3 3012 31.782 10.937 12.630 1.00 0.00 WT1 H ATOM 11386 OH2 TIP3 3013 64.868 32.300 -6.288 1.00 0.00 WT1 O ATOM 11387 H1 TIP3 3013 65.690 32.010 -5.892 1.00 0.00 WT1 H ATOM 11388 H2 TIP3 3013 64.306 31.526 -6.269 1.00 0.00 WT1 H ATOM 11389 OH2 TIP3 3014 51.358 28.462 11.976 1.00 0.00 WT1 O ATOM 11390 H1 TIP3 3014 50.873 27.693 11.678 1.00 0.00 WT1 H ATOM 11391 H2 TIP3 3014 50.971 29.192 11.493 1.00 0.00 WT1 H ATOM 11392 OH2 TIP3 3015 46.891 39.087 24.126 1.00 0.00 WT1 O ATOM 11393 H1 TIP3 3015 47.658 39.386 23.638 1.00 0.00 WT1 H ATOM 11394 H2 TIP3 3015 47.095 38.181 24.361 1.00 0.00 WT1 H ATOM 11395 OH2 TIP3 3016 82.626 26.786 6.828 1.00 0.00 WT1 O ATOM 11396 H1 TIP3 3016 82.549 26.315 5.998 1.00 0.00 WT1 H ATOM 11397 H2 TIP3 3016 82.693 27.707 6.577 1.00 0.00 WT1 H ATOM 11398 OH2 TIP3 3018 76.670 69.708 57.130 1.00 0.00 WT1 O ATOM 11399 H1 TIP3 3018 76.998 69.031 56.538 1.00 0.00 WT1 H ATOM 11400 H2 TIP3 3018 75.857 70.009 56.723 1.00 0.00 WT1 H ATOM 11401 OH2 TIP3 3019 79.656 35.108 -3.092 1.00 0.00 WT1 O ATOM 11402 H1 TIP3 3019 80.412 35.520 -2.673 1.00 0.00 WT1 H ATOM 11403 H2 TIP3 3019 79.543 34.282 -2.622 1.00 0.00 WT1 H ATOM 11404 OH2 TIP3 3021 77.181 37.620 9.783 1.00 0.00 WT1 O ATOM 11405 H1 TIP3 3021 76.516 37.364 10.422 1.00 0.00 WT1 H ATOM 11406 H2 TIP3 3021 76.763 38.308 9.265 1.00 0.00 WT1 H ATOM 11407 OH2 TIP3 3023 49.596 26.552 -11.012 1.00 0.00 WT1 O ATOM 11408 H1 TIP3 3023 48.896 26.150 -10.497 1.00 0.00 WT1 H ATOM 11409 H2 TIP3 3023 49.763 25.928 -11.719 1.00 0.00 WT1 H ATOM 11410 OH2 TIP3 3024 51.671 52.018 55.832 1.00 0.00 WT1 O ATOM 11411 H1 TIP3 3024 51.964 52.833 56.239 1.00 0.00 WT1 H ATOM 11412 H2 TIP3 3024 51.785 52.164 54.893 1.00 0.00 WT1 H ATOM 11413 OH2 TIP3 3025 79.205 89.922 44.042 1.00 0.00 WT1 O ATOM 11414 H1 TIP3 3025 79.451 90.660 43.484 1.00 0.00 WT1 H ATOM 11415 H2 TIP3 3025 79.859 89.921 44.741 1.00 0.00 WT1 H ATOM 11416 OH2 TIP3 3027 21.138 23.940 -18.534 1.00 0.00 WT1 O ATOM 11417 H1 TIP3 3027 22.036 24.244 -18.401 1.00 0.00 WT1 H ATOM 11418 H2 TIP3 3027 20.748 24.591 -19.117 1.00 0.00 WT1 H ATOM 11419 OH2 TIP3 3028 40.168 46.478 -7.696 1.00 0.00 WT1 O ATOM 11420 H1 TIP3 3028 39.616 47.200 -7.998 1.00 0.00 WT1 H ATOM 11421 H2 TIP3 3028 40.056 45.797 -8.359 1.00 0.00 WT1 H ATOM 11422 OH2 TIP3 3029 21.583 30.394 12.145 1.00 0.00 WT1 O ATOM 11423 H1 TIP3 3029 21.579 30.823 13.000 1.00 0.00 WT1 H ATOM 11424 H2 TIP3 3029 22.090 29.593 12.280 1.00 0.00 WT1 H ATOM 11425 OH2 TIP3 3030 26.805 27.120 2.404 1.00 0.00 WT1 O ATOM 11426 H1 TIP3 3030 26.747 26.714 1.539 1.00 0.00 WT1 H ATOM 11427 H2 TIP3 3030 26.054 26.771 2.883 1.00 0.00 WT1 H ATOM 11428 OH2 TIP3 3032 55.094 59.233 22.313 1.00 0.00 WT1 O ATOM 11429 H1 TIP3 3032 54.183 59.310 22.030 1.00 0.00 WT1 H ATOM 11430 H2 TIP3 3032 55.584 59.078 21.505 1.00 0.00 WT1 H ATOM 11431 OH2 TIP3 3033 28.006 52.535 12.159 1.00 0.00 WT1 O ATOM 11432 H1 TIP3 3033 28.286 53.149 11.481 1.00 0.00 WT1 H ATOM 11433 H2 TIP3 3033 28.110 53.018 12.979 1.00 0.00 WT1 H ATOM 11434 OH2 TIP3 3035 82.240 18.505 -8.612 1.00 0.00 WT1 O ATOM 11435 H1 TIP3 3035 82.750 18.607 -7.808 1.00 0.00 WT1 H ATOM 11436 H2 TIP3 3035 82.197 17.559 -8.750 1.00 0.00 WT1 H ATOM 11437 OH2 TIP3 3037 23.170 23.196 7.447 1.00 0.00 WT1 O ATOM 11438 H1 TIP3 3037 22.634 23.213 8.239 1.00 0.00 WT1 H ATOM 11439 H2 TIP3 3037 23.756 22.449 7.570 1.00 0.00 WT1 H ATOM 11440 OH2 TIP3 3038 77.289 93.192 11.236 1.00 0.00 WT1 O ATOM 11441 H1 TIP3 3038 77.623 92.463 10.715 1.00 0.00 WT1 H ATOM 11442 H2 TIP3 3038 77.740 93.113 12.077 1.00 0.00 WT1 H ATOM 11443 OH2 TIP3 3039 75.215 51.791 64.235 1.00 0.00 WT1 O ATOM 11444 H1 TIP3 3039 74.757 52.594 63.987 1.00 0.00 WT1 H ATOM 11445 H2 TIP3 3039 75.666 52.013 65.050 1.00 0.00 WT1 H ATOM 11446 OH2 TIP3 3040 43.605 53.936 20.792 1.00 0.00 WT1 O ATOM 11447 H1 TIP3 3040 43.234 54.278 19.979 1.00 0.00 WT1 H ATOM 11448 H2 TIP3 3040 43.270 54.519 21.473 1.00 0.00 WT1 H ATOM 11449 OH2 TIP3 3041 41.999 40.435 41.006 1.00 0.00 WT1 O ATOM 11450 H1 TIP3 3041 42.265 39.802 40.339 1.00 0.00 WT1 H ATOM 11451 H2 TIP3 3041 41.054 40.527 40.886 1.00 0.00 WT1 H ATOM 11452 OH2 TIP3 3042 85.794 20.867 50.311 1.00 0.00 WT1 O ATOM 11453 H1 TIP3 3042 84.879 20.614 50.438 1.00 0.00 WT1 H ATOM 11454 H2 TIP3 3042 86.188 20.123 49.855 1.00 0.00 WT1 H ATOM 11455 OH2 TIP3 3043 65.914 29.105 41.879 1.00 0.00 WT1 O ATOM 11456 H1 TIP3 3043 65.355 28.970 42.644 1.00 0.00 WT1 H ATOM 11457 H2 TIP3 3043 66.152 30.032 41.916 1.00 0.00 WT1 H ATOM 11458 OH2 TIP3 3044 48.697 78.727 9.492 1.00 0.00 WT1 O ATOM 11459 H1 TIP3 3044 48.824 78.203 8.701 1.00 0.00 WT1 H ATOM 11460 H2 TIP3 3044 48.704 78.090 10.206 1.00 0.00 WT1 H ATOM 11461 OH2 TIP3 3045 33.139 56.844 57.244 1.00 0.00 WT1 O ATOM 11462 H1 TIP3 3045 33.129 55.887 57.227 1.00 0.00 WT1 H ATOM 11463 H2 TIP3 3045 32.890 57.071 58.140 1.00 0.00 WT1 H ATOM 11464 OH2 TIP3 3046 43.579 16.751 2.108 1.00 0.00 WT1 O ATOM 11465 H1 TIP3 3046 43.297 16.738 1.194 1.00 0.00 WT1 H ATOM 11466 H2 TIP3 3046 44.510 16.966 2.069 1.00 0.00 WT1 H ATOM 11467 OH2 TIP3 3047 38.280 79.861 -7.417 1.00 0.00 WT1 O ATOM 11468 H1 TIP3 3047 39.201 80.005 -7.199 1.00 0.00 WT1 H ATOM 11469 H2 TIP3 3047 37.804 80.498 -6.885 1.00 0.00 WT1 H ATOM 11470 OH2 TIP3 3048 36.931 5.466 66.809 1.00 0.00 WT1 O ATOM 11471 H1 TIP3 3048 37.238 4.562 66.872 1.00 0.00 WT1 H ATOM 11472 H2 TIP3 3048 37.256 5.886 67.606 1.00 0.00 WT1 H ATOM 11473 OH2 TIP3 3049 28.261 13.043 48.665 1.00 0.00 WT1 O ATOM 11474 H1 TIP3 3049 28.860 13.364 47.991 1.00 0.00 WT1 H ATOM 11475 H2 TIP3 3049 28.217 13.752 49.306 1.00 0.00 WT1 H ATOM 11476 OH2 TIP3 3050 54.855 60.706 -18.748 1.00 0.00 WT1 O ATOM 11477 H1 TIP3 3050 55.231 59.880 -18.444 1.00 0.00 WT1 H ATOM 11478 H2 TIP3 3050 55.404 60.960 -19.490 1.00 0.00 WT1 H ATOM 11479 OH2 TIP3 3051 21.500 66.350 60.564 1.00 0.00 WT1 O ATOM 11480 H1 TIP3 3051 21.890 65.589 60.995 1.00 0.00 WT1 H ATOM 11481 H2 TIP3 3051 20.714 66.540 61.077 1.00 0.00 WT1 H ATOM 11482 OH2 TIP3 3052 32.495 40.816 4.542 1.00 0.00 WT1 O ATOM 11483 H1 TIP3 3052 31.790 41.178 5.078 1.00 0.00 WT1 H ATOM 11484 H2 TIP3 3052 33.298 41.148 4.944 1.00 0.00 WT1 H ATOM 11485 OH2 TIP3 3053 83.738 46.007 -8.754 1.00 0.00 WT1 O ATOM 11486 H1 TIP3 3053 84.204 46.764 -9.107 1.00 0.00 WT1 H ATOM 11487 H2 TIP3 3053 83.083 46.382 -8.165 1.00 0.00 WT1 H ATOM 11488 OH2 TIP3 3054 27.691 68.206 12.130 1.00 0.00 WT1 O ATOM 11489 H1 TIP3 3054 28.497 67.747 12.370 1.00 0.00 WT1 H ATOM 11490 H2 TIP3 3054 27.819 68.453 11.215 1.00 0.00 WT1 H ATOM 11491 OH2 TIP3 3056 44.514 52.675 23.154 1.00 0.00 WT1 O ATOM 11492 H1 TIP3 3056 45.275 53.018 23.623 1.00 0.00 WT1 H ATOM 11493 H2 TIP3 3056 43.761 53.015 23.637 1.00 0.00 WT1 H ATOM 11494 OH2 TIP3 3057 72.494 13.021 64.151 1.00 0.00 WT1 O ATOM 11495 H1 TIP3 3057 72.101 13.793 63.743 1.00 0.00 WT1 H ATOM 11496 H2 TIP3 3057 72.860 13.345 64.974 1.00 0.00 WT1 H ATOM 11497 OH2 TIP3 3059 69.838 91.156 48.273 1.00 0.00 WT1 O ATOM 11498 H1 TIP3 3059 68.945 90.978 48.569 1.00 0.00 WT1 H ATOM 11499 H2 TIP3 3059 70.395 90.841 48.985 1.00 0.00 WT1 H ATOM 11500 OH2 TIP3 3062 81.617 86.264 33.600 1.00 0.00 WT1 O ATOM 11501 H1 TIP3 3062 80.837 86.759 33.352 1.00 0.00 WT1 H ATOM 11502 H2 TIP3 3062 81.999 85.984 32.769 1.00 0.00 WT1 H ATOM 11503 OH2 TIP3 3063 84.986 37.560 -4.490 1.00 0.00 WT1 O ATOM 11504 H1 TIP3 3063 85.679 38.106 -4.119 1.00 0.00 WT1 H ATOM 11505 H2 TIP3 3063 85.254 37.416 -5.398 1.00 0.00 WT1 H ATOM 11506 OH2 TIP3 3065 49.212 14.863 1.935 1.00 0.00 WT1 O ATOM 11507 H1 TIP3 3065 48.745 15.603 1.548 1.00 0.00 WT1 H ATOM 11508 H2 TIP3 3065 49.600 15.216 2.736 1.00 0.00 WT1 H ATOM 11509 OH2 TIP3 3066 90.591 49.274 28.358 1.00 0.00 WT1 O ATOM 11510 H1 TIP3 3066 90.205 49.240 27.482 1.00 0.00 WT1 H ATOM 11511 H2 TIP3 3066 90.790 50.200 28.496 1.00 0.00 WT1 H ATOM 11512 OH2 TIP3 3067 50.097 39.414 10.222 1.00 0.00 WT1 O ATOM 11513 H1 TIP3 3067 49.618 39.682 11.005 1.00 0.00 WT1 H ATOM 11514 H2 TIP3 3067 50.298 38.489 10.368 1.00 0.00 WT1 H ATOM 11515 OH2 TIP3 3069 35.130 45.339 43.769 1.00 0.00 WT1 O ATOM 11516 H1 TIP3 3069 34.266 45.626 44.066 1.00 0.00 WT1 H ATOM 11517 H2 TIP3 3069 35.690 46.106 43.886 1.00 0.00 WT1 H ATOM 11518 OH2 TIP3 3070 64.458 19.152 34.555 1.00 0.00 WT1 O ATOM 11519 H1 TIP3 3070 65.339 18.863 34.319 1.00 0.00 WT1 H ATOM 11520 H2 TIP3 3070 64.588 19.727 35.309 1.00 0.00 WT1 H ATOM 11521 OH2 TIP3 3071 89.827 12.259 63.981 1.00 0.00 WT1 O ATOM 11522 H1 TIP3 3071 90.658 11.930 63.639 1.00 0.00 WT1 H ATOM 11523 H2 TIP3 3071 90.058 12.681 64.809 1.00 0.00 WT1 H ATOM 11524 OH2 TIP3 3072 42.489 71.437 13.377 1.00 0.00 WT1 O ATOM 11525 H1 TIP3 3072 43.420 71.244 13.268 1.00 0.00 WT1 H ATOM 11526 H2 TIP3 3072 42.245 70.992 14.188 1.00 0.00 WT1 H ATOM 11527 OH2 TIP3 3073 68.801 83.177 -14.797 1.00 0.00 WT1 O ATOM 11528 H1 TIP3 3073 69.312 83.169 -13.988 1.00 0.00 WT1 H ATOM 11529 H2 TIP3 3073 68.878 82.287 -15.139 1.00 0.00 WT1 H ATOM 11530 OH2 TIP3 3074 68.200 62.924 15.461 1.00 0.00 WT1 O ATOM 11531 H1 TIP3 3074 68.229 63.585 14.770 1.00 0.00 WT1 H ATOM 11532 H2 TIP3 3074 67.268 62.742 15.580 1.00 0.00 WT1 H ATOM 11533 OH2 TIP3 3075 67.380 8.281 -6.002 1.00 0.00 WT1 O ATOM 11534 H1 TIP3 3075 66.569 7.771 -6.019 1.00 0.00 WT1 H ATOM 11535 H2 TIP3 3075 67.985 7.752 -5.483 1.00 0.00 WT1 H ATOM 11536 OH2 TIP3 3077 70.594 67.621 15.954 1.00 0.00 WT1 O ATOM 11537 H1 TIP3 3077 70.094 68.312 16.390 1.00 0.00 WT1 H ATOM 11538 H2 TIP3 3077 70.150 66.810 16.203 1.00 0.00 WT1 H ATOM 11539 OH2 TIP3 3079 59.719 75.295 25.841 1.00 0.00 WT1 O ATOM 11540 H1 TIP3 3079 59.886 74.497 25.339 1.00 0.00 WT1 H ATOM 11541 H2 TIP3 3079 58.971 75.076 26.397 1.00 0.00 WT1 H ATOM 11542 OH2 TIP3 3080 28.770 17.389 45.949 1.00 0.00 WT1 O ATOM 11543 H1 TIP3 3080 28.071 18.038 46.026 1.00 0.00 WT1 H ATOM 11544 H2 TIP3 3080 29.492 17.861 45.534 1.00 0.00 WT1 H ATOM 11545 OH2 TIP3 3081 53.310 87.854 22.350 1.00 0.00 WT1 O ATOM 11546 H1 TIP3 3081 52.633 88.530 22.358 1.00 0.00 WT1 H ATOM 11547 H2 TIP3 3081 52.826 87.028 22.382 1.00 0.00 WT1 H ATOM 11548 OH2 TIP3 3082 56.078 22.363 18.384 1.00 0.00 WT1 O ATOM 11549 H1 TIP3 3082 55.540 22.361 17.592 1.00 0.00 WT1 H ATOM 11550 H2 TIP3 3082 55.554 22.839 19.028 1.00 0.00 WT1 H ATOM 11551 OH2 TIP3 3083 47.655 51.936 39.189 1.00 0.00 WT1 O ATOM 11552 H1 TIP3 3083 47.959 51.936 38.282 1.00 0.00 WT1 H ATOM 11553 H2 TIP3 3083 47.636 52.860 39.436 1.00 0.00 WT1 H ATOM 11554 OH2 TIP3 3084 47.624 19.107 59.217 1.00 0.00 WT1 O ATOM 11555 H1 TIP3 3084 48.127 19.373 58.447 1.00 0.00 WT1 H ATOM 11556 H2 TIP3 3084 47.908 18.210 59.391 1.00 0.00 WT1 H ATOM 11557 OH2 TIP3 3085 76.679 14.996 64.383 1.00 0.00 WT1 O ATOM 11558 H1 TIP3 3085 76.819 14.155 63.948 1.00 0.00 WT1 H ATOM 11559 H2 TIP3 3085 76.278 14.769 65.222 1.00 0.00 WT1 H ATOM 11560 OH2 TIP3 3086 60.171 61.189 -8.287 1.00 0.00 WT1 O ATOM 11561 H1 TIP3 3086 59.322 60.796 -8.492 1.00 0.00 WT1 H ATOM 11562 H2 TIP3 3086 60.612 60.537 -7.743 1.00 0.00 WT1 H ATOM 11563 OH2 TIP3 3087 52.875 10.251 2.435 1.00 0.00 WT1 O ATOM 11564 H1 TIP3 3087 51.945 10.331 2.227 1.00 0.00 WT1 H ATOM 11565 H2 TIP3 3087 52.943 10.539 3.346 1.00 0.00 WT1 H ATOM 11566 OH2 TIP3 3088 77.642 81.201 -18.038 1.00 0.00 WT1 O ATOM 11567 H1 TIP3 3088 76.824 80.723 -17.898 1.00 0.00 WT1 H ATOM 11568 H2 TIP3 3088 77.968 81.382 -17.157 1.00 0.00 WT1 H ATOM 11569 OH2 TIP3 3089 90.465 29.879 1.818 1.00 0.00 WT1 O ATOM 11570 H1 TIP3 3089 91.242 29.402 1.527 1.00 0.00 WT1 H ATOM 11571 H2 TIP3 3089 89.729 29.380 1.464 1.00 0.00 WT1 H ATOM 11572 OH2 TIP3 3090 56.548 45.917 53.325 1.00 0.00 WT1 O ATOM 11573 H1 TIP3 3090 55.593 45.987 53.329 1.00 0.00 WT1 H ATOM 11574 H2 TIP3 3090 56.813 46.194 54.202 1.00 0.00 WT1 H ATOM 11575 OH2 TIP3 3091 39.074 94.328 -8.698 1.00 0.00 WT1 O ATOM 11576 H1 TIP3 3091 39.691 95.054 -8.606 1.00 0.00 WT1 H ATOM 11577 H2 TIP3 3091 39.396 93.834 -9.452 1.00 0.00 WT1 H ATOM 11578 OH2 TIP3 3092 31.902 44.991 52.527 1.00 0.00 WT1 O ATOM 11579 H1 TIP3 3092 32.384 44.795 51.723 1.00 0.00 WT1 H ATOM 11580 H2 TIP3 3092 31.366 44.213 52.681 1.00 0.00 WT1 H ATOM 11581 OH2 TIP3 3093 41.696 25.691 25.610 1.00 0.00 WT1 O ATOM 11582 H1 TIP3 3093 41.742 24.844 25.167 1.00 0.00 WT1 H ATOM 11583 H2 TIP3 3093 40.778 25.778 25.867 1.00 0.00 WT1 H ATOM 11584 OH2 TIP3 3094 24.141 25.841 25.462 1.00 0.00 WT1 O ATOM 11585 H1 TIP3 3094 24.731 25.220 25.035 1.00 0.00 WT1 H ATOM 11586 H2 TIP3 3094 23.952 26.495 24.789 1.00 0.00 WT1 H ATOM 11587 OH2 TIP3 3095 41.196 43.881 -15.424 1.00 0.00 WT1 O ATOM 11588 H1 TIP3 3095 41.371 44.808 -15.259 1.00 0.00 WT1 H ATOM 11589 H2 TIP3 3095 41.000 43.838 -16.360 1.00 0.00 WT1 H ATOM 11590 OH2 TIP3 3096 36.867 18.058 10.629 1.00 0.00 WT1 O ATOM 11591 H1 TIP3 3096 36.036 17.910 10.178 1.00 0.00 WT1 H ATOM 11592 H2 TIP3 3096 36.902 19.006 10.761 1.00 0.00 WT1 H ATOM 11593 OH2 TIP3 3097 90.077 79.496 54.107 1.00 0.00 WT1 O ATOM 11594 H1 TIP3 3097 89.887 79.312 55.026 1.00 0.00 WT1 H ATOM 11595 H2 TIP3 3097 90.781 78.888 53.881 1.00 0.00 WT1 H ATOM 11596 OH2 TIP3 3098 82.650 30.945 14.860 1.00 0.00 WT1 O ATOM 11597 H1 TIP3 3098 82.677 30.725 13.929 1.00 0.00 WT1 H ATOM 11598 H2 TIP3 3098 82.579 30.099 15.304 1.00 0.00 WT1 H ATOM 11599 OH2 TIP3 3100 44.154 65.351 -7.379 1.00 0.00 WT1 O ATOM 11600 H1 TIP3 3100 43.829 64.833 -8.116 1.00 0.00 WT1 H ATOM 11601 H2 TIP3 3100 44.160 64.741 -6.641 1.00 0.00 WT1 H ATOM 11602 OH2 TIP3 3102 24.024 7.109 51.563 1.00 0.00 WT1 O ATOM 11603 H1 TIP3 3102 24.244 6.447 52.219 1.00 0.00 WT1 H ATOM 11604 H2 TIP3 3102 24.537 6.865 50.793 1.00 0.00 WT1 H ATOM 11605 OH2 TIP3 3103 32.126 51.835 53.945 1.00 0.00 WT1 O ATOM 11606 H1 TIP3 3103 32.977 51.398 53.990 1.00 0.00 WT1 H ATOM 11607 H2 TIP3 3103 31.489 51.121 53.941 1.00 0.00 WT1 H ATOM 11608 OH2 TIP3 3104 29.571 32.394 57.742 1.00 0.00 WT1 O ATOM 11609 H1 TIP3 3104 29.442 31.745 57.051 1.00 0.00 WT1 H ATOM 11610 H2 TIP3 3104 28.828 32.991 57.652 1.00 0.00 WT1 H ATOM 11611 OH2 TIP3 3105 90.306 86.077 13.413 1.00 0.00 WT1 O ATOM 11612 H1 TIP3 3105 89.687 86.207 14.132 1.00 0.00 WT1 H ATOM 11613 H2 TIP3 3105 91.041 85.612 13.810 1.00 0.00 WT1 H ATOM 11614 OH2 TIP3 3106 49.097 77.890 66.051 1.00 0.00 WT1 O ATOM 11615 H1 TIP3 3106 49.873 78.410 65.845 1.00 0.00 WT1 H ATOM 11616 H2 TIP3 3106 49.369 76.984 65.903 1.00 0.00 WT1 H ATOM 11617 OH2 TIP3 3107 85.282 13.263 49.379 1.00 0.00 WT1 O ATOM 11618 H1 TIP3 3107 85.394 12.736 50.169 1.00 0.00 WT1 H ATOM 11619 H2 TIP3 3107 84.568 12.837 48.905 1.00 0.00 WT1 H ATOM 11620 OH2 TIP3 3108 30.478 11.475 7.718 1.00 0.00 WT1 O ATOM 11621 H1 TIP3 3108 30.958 11.846 8.459 1.00 0.00 WT1 H ATOM 11622 H2 TIP3 3108 31.158 11.143 7.133 1.00 0.00 WT1 H ATOM 11623 OH2 TIP3 3109 87.278 12.953 6.453 1.00 0.00 WT1 O ATOM 11624 H1 TIP3 3109 86.977 13.836 6.667 1.00 0.00 WT1 H ATOM 11625 H2 TIP3 3109 87.056 12.431 7.225 1.00 0.00 WT1 H ATOM 11626 OH2 TIP3 3110 51.578 65.175 9.728 1.00 0.00 WT1 O ATOM 11627 H1 TIP3 3110 51.530 64.760 10.589 1.00 0.00 WT1 H ATOM 11628 H2 TIP3 3110 52.070 65.983 9.878 1.00 0.00 WT1 H ATOM 11629 OH2 TIP3 3111 51.366 37.025 10.600 1.00 0.00 WT1 O ATOM 11630 H1 TIP3 3111 52.094 37.055 11.220 1.00 0.00 WT1 H ATOM 11631 H2 TIP3 3111 50.782 36.350 10.947 1.00 0.00 WT1 H ATOM 11632 OH2 TIP3 3112 39.031 14.166 61.228 1.00 0.00 WT1 O ATOM 11633 H1 TIP3 3112 38.270 14.448 60.721 1.00 0.00 WT1 H ATOM 11634 H2 TIP3 3112 38.908 13.224 61.342 1.00 0.00 WT1 H ATOM 11635 OH2 TIP3 3113 88.109 16.483 4.854 1.00 0.00 WT1 O ATOM 11636 H1 TIP3 3113 88.716 16.478 5.594 1.00 0.00 WT1 H ATOM 11637 H2 TIP3 3113 87.276 16.194 5.225 1.00 0.00 WT1 H ATOM 11638 OH2 TIP3 3114 50.951 46.070 38.366 1.00 0.00 WT1 O ATOM 11639 H1 TIP3 3114 51.043 46.180 37.419 1.00 0.00 WT1 H ATOM 11640 H2 TIP3 3114 51.542 46.723 38.741 1.00 0.00 WT1 H ATOM 11641 OH2 TIP3 3115 62.009 37.144 -16.899 1.00 0.00 WT1 O ATOM 11642 H1 TIP3 3115 61.077 36.955 -16.791 1.00 0.00 WT1 H ATOM 11643 H2 TIP3 3115 62.403 36.298 -17.112 1.00 0.00 WT1 H ATOM 11644 OH2 TIP3 3116 50.022 40.085 1.986 1.00 0.00 WT1 O ATOM 11645 H1 TIP3 3116 49.402 40.320 2.676 1.00 0.00 WT1 H ATOM 11646 H2 TIP3 3116 50.854 40.464 2.271 1.00 0.00 WT1 H ATOM 11647 OH2 TIP3 3118 82.395 82.843 59.048 1.00 0.00 WT1 O ATOM 11648 H1 TIP3 3118 82.237 83.639 59.555 1.00 0.00 WT1 H ATOM 11649 H2 TIP3 3118 81.679 82.256 59.293 1.00 0.00 WT1 H ATOM 11650 OH2 TIP3 3119 80.508 32.377 63.429 1.00 0.00 WT1 O ATOM 11651 H1 TIP3 3119 79.849 32.183 62.762 1.00 0.00 WT1 H ATOM 11652 H2 TIP3 3119 80.196 33.179 63.848 1.00 0.00 WT1 H ATOM 11653 OH2 TIP3 3120 38.082 5.353 -11.145 1.00 0.00 WT1 O ATOM 11654 H1 TIP3 3120 38.371 5.872 -10.395 1.00 0.00 WT1 H ATOM 11655 H2 TIP3 3120 38.266 5.906 -11.905 1.00 0.00 WT1 H ATOM 11656 OH2 TIP3 3121 21.561 35.161 -10.133 1.00 0.00 WT1 O ATOM 11657 H1 TIP3 3121 20.611 35.223 -10.030 1.00 0.00 WT1 H ATOM 11658 H2 TIP3 3121 21.907 35.887 -9.615 1.00 0.00 WT1 H ATOM 11659 OH2 TIP3 3123 69.783 3.762 5.534 1.00 0.00 WT1 O ATOM 11660 H1 TIP3 3123 69.585 3.855 6.466 1.00 0.00 WT1 H ATOM 11661 H2 TIP3 3123 69.548 4.608 5.153 1.00 0.00 WT1 H ATOM 11662 OH2 TIP3 3124 28.880 13.502 44.069 1.00 0.00 WT1 O ATOM 11663 H1 TIP3 3124 28.188 14.150 44.203 1.00 0.00 WT1 H ATOM 11664 H2 TIP3 3124 29.571 13.758 44.680 1.00 0.00 WT1 H ATOM 11665 OH2 TIP3 3126 42.411 25.337 63.185 1.00 0.00 WT1 O ATOM 11666 H1 TIP3 3126 43.348 25.424 63.362 1.00 0.00 WT1 H ATOM 11667 H2 TIP3 3126 42.086 26.237 63.165 1.00 0.00 WT1 H ATOM 11668 OH2 TIP3 3128 84.016 89.333 3.261 1.00 0.00 WT1 O ATOM 11669 H1 TIP3 3128 83.061 89.307 3.326 1.00 0.00 WT1 H ATOM 11670 H2 TIP3 3128 84.302 88.485 3.601 1.00 0.00 WT1 H ATOM 11671 OH2 TIP3 3129 69.259 33.081 -7.385 1.00 0.00 WT1 O ATOM 11672 H1 TIP3 3129 68.954 33.937 -7.686 1.00 0.00 WT1 H ATOM 11673 H2 TIP3 3129 70.158 33.019 -7.709 1.00 0.00 WT1 H ATOM 11674 OH2 TIP3 3130 80.770 80.272 16.722 1.00 0.00 WT1 O ATOM 11675 H1 TIP3 3130 81.378 79.540 16.819 1.00 0.00 WT1 H ATOM 11676 H2 TIP3 3130 79.918 79.911 16.967 1.00 0.00 WT1 H ATOM 11677 OH2 TIP3 3131 68.538 7.160 20.754 1.00 0.00 WT1 O ATOM 11678 H1 TIP3 3131 68.869 6.335 21.110 1.00 0.00 WT1 H ATOM 11679 H2 TIP3 3131 68.359 6.969 19.834 1.00 0.00 WT1 H ATOM 11680 OH2 TIP3 3132 46.151 17.454 32.989 1.00 0.00 WT1 O ATOM 11681 H1 TIP3 3132 46.660 17.731 32.227 1.00 0.00 WT1 H ATOM 11682 H2 TIP3 3132 45.239 17.580 32.727 1.00 0.00 WT1 H ATOM 11683 OH2 TIP3 3134 44.447 62.189 15.575 1.00 0.00 WT1 O ATOM 11684 H1 TIP3 3134 44.873 63.046 15.550 1.00 0.00 WT1 H ATOM 11685 H2 TIP3 3134 43.525 62.374 15.394 1.00 0.00 WT1 H ATOM 11686 OH2 TIP3 3135 66.646 63.859 48.724 1.00 0.00 WT1 O ATOM 11687 H1 TIP3 3135 65.833 63.711 49.208 1.00 0.00 WT1 H ATOM 11688 H2 TIP3 3135 66.717 63.106 48.138 1.00 0.00 WT1 H ATOM 11689 OH2 TIP3 3136 44.793 70.833 0.365 1.00 0.00 WT1 O ATOM 11690 H1 TIP3 3136 44.171 70.415 0.960 1.00 0.00 WT1 H ATOM 11691 H2 TIP3 3136 45.639 70.752 0.805 1.00 0.00 WT1 H ATOM 11692 OH2 TIP3 3137 31.844 87.863 39.238 1.00 0.00 WT1 O ATOM 11693 H1 TIP3 3137 31.610 87.413 40.050 1.00 0.00 WT1 H ATOM 11694 H2 TIP3 3137 32.130 87.164 38.650 1.00 0.00 WT1 H ATOM 11695 OH2 TIP3 3138 23.039 44.323 33.306 1.00 0.00 WT1 O ATOM 11696 H1 TIP3 3138 22.200 43.998 33.632 1.00 0.00 WT1 H ATOM 11697 H2 TIP3 3138 22.911 45.267 33.212 1.00 0.00 WT1 H ATOM 11698 OH2 TIP3 3139 35.704 33.691 49.882 1.00 0.00 WT1 O ATOM 11699 H1 TIP3 3139 35.865 33.503 50.807 1.00 0.00 WT1 H ATOM 11700 H2 TIP3 3139 34.993 33.098 49.637 1.00 0.00 WT1 H ATOM 11701 OH2 TIP3 3140 76.395 49.829 -4.650 1.00 0.00 WT1 O ATOM 11702 H1 TIP3 3140 76.463 48.961 -4.251 1.00 0.00 WT1 H ATOM 11703 H2 TIP3 3140 75.457 50.023 -4.642 1.00 0.00 WT1 H ATOM 11704 OH2 TIP3 3142 42.682 7.067 -5.952 1.00 0.00 WT1 O ATOM 11705 H1 TIP3 3142 42.409 7.829 -6.464 1.00 0.00 WT1 H ATOM 11706 H2 TIP3 3142 43.329 7.411 -5.336 1.00 0.00 WT1 H ATOM 11707 OH2 TIP3 3143 49.984 63.681 7.213 1.00 0.00 WT1 O ATOM 11708 H1 TIP3 3143 49.942 63.376 8.119 1.00 0.00 WT1 H ATOM 11709 H2 TIP3 3143 50.889 63.970 7.098 1.00 0.00 WT1 H ATOM 11710 OH2 TIP3 3144 26.214 36.122 65.330 1.00 0.00 WT1 O ATOM 11711 H1 TIP3 3144 25.292 35.868 65.376 1.00 0.00 WT1 H ATOM 11712 H2 TIP3 3144 26.499 36.156 66.243 1.00 0.00 WT1 H ATOM 11713 OH2 TIP3 3145 61.428 34.082 39.976 1.00 0.00 WT1 O ATOM 11714 H1 TIP3 3145 61.398 33.802 39.061 1.00 0.00 WT1 H ATOM 11715 H2 TIP3 3145 62.341 34.328 40.122 1.00 0.00 WT1 H ATOM 11716 OH2 TIP3 3146 30.177 88.984 36.541 1.00 0.00 WT1 O ATOM 11717 H1 TIP3 3146 29.361 89.397 36.824 1.00 0.00 WT1 H ATOM 11718 H2 TIP3 3146 30.467 88.480 37.301 1.00 0.00 WT1 H ATOM 11719 OH2 TIP3 3147 84.861 35.066 9.006 1.00 0.00 WT1 O ATOM 11720 H1 TIP3 3147 84.343 35.415 8.281 1.00 0.00 WT1 H ATOM 11721 H2 TIP3 3147 85.624 34.668 8.586 1.00 0.00 WT1 H ATOM 11722 OH2 TIP3 3148 69.805 48.881 39.500 1.00 0.00 WT1 O ATOM 11723 H1 TIP3 3148 68.871 48.914 39.706 1.00 0.00 WT1 H ATOM 11724 H2 TIP3 3148 70.037 47.956 39.585 1.00 0.00 WT1 H ATOM 11725 OH2 TIP3 3149 58.436 27.294 65.977 1.00 0.00 WT1 O ATOM 11726 H1 TIP3 3149 58.956 28.032 65.660 1.00 0.00 WT1 H ATOM 11727 H2 TIP3 3149 58.842 26.525 65.577 1.00 0.00 WT1 H ATOM 11728 OH2 TIP3 3150 81.346 3.350 46.851 1.00 0.00 WT1 O ATOM 11729 H1 TIP3 3150 80.848 3.783 46.157 1.00 0.00 WT1 H ATOM 11730 H2 TIP3 3150 82.036 2.874 46.389 1.00 0.00 WT1 H ATOM 11731 OH2 TIP3 3152 59.760 11.714 39.792 1.00 0.00 WT1 O ATOM 11732 H1 TIP3 3152 59.592 11.674 38.851 1.00 0.00 WT1 H ATOM 11733 H2 TIP3 3152 60.449 12.372 39.885 1.00 0.00 WT1 H ATOM 11734 OH2 TIP3 3153 47.363 49.885 2.007 1.00 0.00 WT1 O ATOM 11735 H1 TIP3 3153 48.301 49.894 1.817 1.00 0.00 WT1 H ATOM 11736 H2 TIP3 3153 47.304 50.107 2.936 1.00 0.00 WT1 H ATOM 11737 OH2 TIP3 3154 44.922 96.273 65.861 1.00 0.00 WT1 O ATOM 11738 H1 TIP3 3154 45.000 95.484 66.398 1.00 0.00 WT1 H ATOM 11739 H2 TIP3 3154 44.440 95.989 65.085 1.00 0.00 WT1 H ATOM 11740 OH2 TIP3 3155 64.733 34.405 9.826 1.00 0.00 WT1 O ATOM 11741 H1 TIP3 3155 63.822 34.128 9.726 1.00 0.00 WT1 H ATOM 11742 H2 TIP3 3155 64.690 35.361 9.860 1.00 0.00 WT1 H ATOM 11743 OH2 TIP3 3157 89.456 42.769 -14.576 1.00 0.00 WT1 O ATOM 11744 H1 TIP3 3157 89.585 42.760 -15.524 1.00 0.00 WT1 H ATOM 11745 H2 TIP3 3157 90.135 42.186 -14.236 1.00 0.00 WT1 H ATOM 11746 OH2 TIP3 3158 79.819 24.792 34.375 1.00 0.00 WT1 O ATOM 11747 H1 TIP3 3158 80.062 23.904 34.112 1.00 0.00 WT1 H ATOM 11748 H2 TIP3 3158 79.858 25.301 33.565 1.00 0.00 WT1 H ATOM 11749 OH2 TIP3 3159 73.351 95.664 35.537 1.00 0.00 WT1 O ATOM 11750 H1 TIP3 3159 73.328 96.183 36.340 1.00 0.00 WT1 H ATOM 11751 H2 TIP3 3159 73.813 96.217 34.907 1.00 0.00 WT1 H ATOM 11752 OH2 TIP3 3160 70.369 35.843 2.539 1.00 0.00 WT1 O ATOM 11753 H1 TIP3 3160 70.664 35.244 3.225 1.00 0.00 WT1 H ATOM 11754 H2 TIP3 3160 70.163 36.655 3.003 1.00 0.00 WT1 H ATOM 11755 OH2 TIP3 3161 73.382 27.396 17.189 1.00 0.00 WT1 O ATOM 11756 H1 TIP3 3161 72.626 26.815 17.105 1.00 0.00 WT1 H ATOM 11757 H2 TIP3 3161 73.668 27.550 16.288 1.00 0.00 WT1 H ATOM 11758 OH2 TIP3 3163 27.483 13.722 -9.723 1.00 0.00 WT1 O ATOM 11759 H1 TIP3 3163 26.900 13.009 -9.985 1.00 0.00 WT1 H ATOM 11760 H2 TIP3 3163 27.051 14.515 -10.041 1.00 0.00 WT1 H ATOM 11761 OH2 TIP3 3164 28.723 14.266 -17.965 1.00 0.00 WT1 O ATOM 11762 H1 TIP3 3164 28.469 13.718 -17.223 1.00 0.00 WT1 H ATOM 11763 H2 TIP3 3164 29.613 14.551 -17.760 1.00 0.00 WT1 H ATOM 11764 OH2 TIP3 3166 39.706 57.835 -8.679 1.00 0.00 WT1 O ATOM 11765 H1 TIP3 3166 38.807 58.008 -8.956 1.00 0.00 WT1 H ATOM 11766 H2 TIP3 3166 39.900 58.527 -8.047 1.00 0.00 WT1 H ATOM 11767 OH2 TIP3 3167 32.327 53.066 25.565 1.00 0.00 WT1 O ATOM 11768 H1 TIP3 3167 32.784 53.035 24.725 1.00 0.00 WT1 H ATOM 11769 H2 TIP3 3167 32.850 52.511 26.143 1.00 0.00 WT1 H ATOM 11770 OH2 TIP3 3168 25.176 78.554 -8.239 1.00 0.00 WT1 O ATOM 11771 H1 TIP3 3168 25.902 78.627 -7.620 1.00 0.00 WT1 H ATOM 11772 H2 TIP3 3168 24.705 79.383 -8.154 1.00 0.00 WT1 H ATOM 11773 OH2 TIP3 3169 27.753 3.425 63.644 1.00 0.00 WT1 O ATOM 11774 H1 TIP3 3169 27.487 3.313 64.557 1.00 0.00 WT1 H ATOM 11775 H2 TIP3 3169 28.415 2.748 63.502 1.00 0.00 WT1 H ATOM 11776 OH2 TIP3 3171 86.609 36.062 42.546 1.00 0.00 WT1 O ATOM 11777 H1 TIP3 3171 86.924 35.163 42.452 1.00 0.00 WT1 H ATOM 11778 H2 TIP3 3171 87.344 36.534 42.936 1.00 0.00 WT1 H ATOM 11779 OH2 TIP3 3173 56.453 91.685 56.523 1.00 0.00 WT1 O ATOM 11780 H1 TIP3 3173 57.087 92.374 56.321 1.00 0.00 WT1 H ATOM 11781 H2 TIP3 3173 55.685 91.904 55.995 1.00 0.00 WT1 H ATOM 11782 OH2 TIP3 3174 71.625 26.880 2.951 1.00 0.00 WT1 O ATOM 11783 H1 TIP3 3174 70.804 26.882 2.460 1.00 0.00 WT1 H ATOM 11784 H2 TIP3 3174 72.307 26.887 2.278 1.00 0.00 WT1 H ATOM 11785 OH2 TIP3 3175 77.049 41.861 28.626 1.00 0.00 WT1 O ATOM 11786 H1 TIP3 3175 76.118 41.638 28.609 1.00 0.00 WT1 H ATOM 11787 H2 TIP3 3175 77.149 42.523 27.942 1.00 0.00 WT1 H ATOM 11788 OH2 TIP3 3176 22.485 24.680 -7.543 1.00 0.00 WT1 O ATOM 11789 H1 TIP3 3176 22.049 25.442 -7.924 1.00 0.00 WT1 H ATOM 11790 H2 TIP3 3176 22.780 24.978 -6.683 1.00 0.00 WT1 H ATOM 11791 OH2 TIP3 3177 83.555 82.155 40.645 1.00 0.00 WT1 O ATOM 11792 H1 TIP3 3177 82.868 82.708 40.275 1.00 0.00 WT1 H ATOM 11793 H2 TIP3 3177 83.091 81.389 40.984 1.00 0.00 WT1 H ATOM 11794 OH2 TIP3 3179 46.997 0.136 33.566 1.00 0.00 WT1 O ATOM 11795 H1 TIP3 3179 47.450 -0.700 33.674 1.00 0.00 WT1 H ATOM 11796 H2 TIP3 3179 47.554 0.771 34.016 1.00 0.00 WT1 H ATOM 11797 OH2 TIP3 3180 53.054 32.497 -6.227 1.00 0.00 WT1 O ATOM 11798 H1 TIP3 3180 52.242 32.047 -5.995 1.00 0.00 WT1 H ATOM 11799 H2 TIP3 3180 52.844 33.427 -6.146 1.00 0.00 WT1 H ATOM 11800 OH2 TIP3 3181 73.769 58.923 60.031 1.00 0.00 WT1 O ATOM 11801 H1 TIP3 3181 73.176 59.436 60.579 1.00 0.00 WT1 H ATOM 11802 H2 TIP3 3181 73.986 59.505 59.302 1.00 0.00 WT1 H ATOM 11803 OH2 TIP3 3183 66.859 34.766 -18.079 1.00 0.00 WT1 O ATOM 11804 H1 TIP3 3183 65.917 34.707 -18.234 1.00 0.00 WT1 H ATOM 11805 H2 TIP3 3183 66.941 35.336 -17.314 1.00 0.00 WT1 H ATOM 11806 OH2 TIP3 3184 52.144 61.505 6.423 1.00 0.00 WT1 O ATOM 11807 H1 TIP3 3184 52.787 61.419 5.719 1.00 0.00 WT1 H ATOM 11808 H2 TIP3 3184 52.403 62.299 6.890 1.00 0.00 WT1 H ATOM 11809 OH2 TIP3 3186 42.959 9.440 -16.190 1.00 0.00 WT1 O ATOM 11810 H1 TIP3 3186 43.250 9.623 -17.083 1.00 0.00 WT1 H ATOM 11811 H2 TIP3 3186 42.004 9.478 -16.236 1.00 0.00 WT1 H ATOM 11812 OH2 TIP3 3187 54.332 6.535 22.209 1.00 0.00 WT1 O ATOM 11813 H1 TIP3 3187 53.570 7.078 22.409 1.00 0.00 WT1 H ATOM 11814 H2 TIP3 3187 54.922 7.116 21.730 1.00 0.00 WT1 H ATOM 11815 OH2 TIP3 3188 33.117 24.076 29.765 1.00 0.00 WT1 O ATOM 11816 H1 TIP3 3188 32.784 23.815 28.907 1.00 0.00 WT1 H ATOM 11817 H2 TIP3 3188 33.766 24.754 29.575 1.00 0.00 WT1 H ATOM 11818 OH2 TIP3 3189 88.848 23.295 4.679 1.00 0.00 WT1 O ATOM 11819 H1 TIP3 3189 89.602 23.867 4.533 1.00 0.00 WT1 H ATOM 11820 H2 TIP3 3189 89.230 22.462 4.955 1.00 0.00 WT1 H ATOM 11821 OH2 TIP3 3190 90.130 96.008 51.596 1.00 0.00 WT1 O ATOM 11822 H1 TIP3 3190 89.947 95.828 50.674 1.00 0.00 WT1 H ATOM 11823 H2 TIP3 3190 89.342 96.449 51.916 1.00 0.00 WT1 H ATOM 11824 OH2 TIP3 3191 75.270 42.368 9.966 1.00 0.00 WT1 O ATOM 11825 H1 TIP3 3191 74.808 42.595 10.773 1.00 0.00 WT1 H ATOM 11826 H2 TIP3 3191 74.868 42.921 9.296 1.00 0.00 WT1 H ATOM 11827 OH2 TIP3 3192 50.953 2.260 -18.341 1.00 0.00 WT1 O ATOM 11828 H1 TIP3 3192 50.556 1.580 -18.885 1.00 0.00 WT1 H ATOM 11829 H2 TIP3 3192 51.525 1.783 -17.740 1.00 0.00 WT1 H ATOM 11830 OH2 TIP3 3193 83.568 13.523 -15.077 1.00 0.00 WT1 O ATOM 11831 H1 TIP3 3193 82.678 13.750 -14.806 1.00 0.00 WT1 H ATOM 11832 H2 TIP3 3193 84.114 14.223 -14.718 1.00 0.00 WT1 H ATOM 11833 OH2 TIP3 3194 72.790 31.603 -3.462 1.00 0.00 WT1 O ATOM 11834 H1 TIP3 3194 72.995 32.522 -3.634 1.00 0.00 WT1 H ATOM 11835 H2 TIP3 3194 71.876 31.609 -3.180 1.00 0.00 WT1 H ATOM 11836 OH2 TIP3 3195 25.119 93.255 15.329 1.00 0.00 WT1 O ATOM 11837 H1 TIP3 3195 25.554 94.075 15.095 1.00 0.00 WT1 H ATOM 11838 H2 TIP3 3195 24.882 93.363 16.250 1.00 0.00 WT1 H ATOM 11839 OH2 TIP3 3196 59.087 21.636 31.946 1.00 0.00 WT1 O ATOM 11840 H1 TIP3 3196 59.765 21.205 31.427 1.00 0.00 WT1 H ATOM 11841 H2 TIP3 3196 58.264 21.365 31.539 1.00 0.00 WT1 H ATOM 11842 OH2 TIP3 3197 56.215 26.290 15.696 1.00 0.00 WT1 O ATOM 11843 H1 TIP3 3197 55.324 25.965 15.825 1.00 0.00 WT1 H ATOM 11844 H2 TIP3 3197 56.153 27.231 15.860 1.00 0.00 WT1 H ATOM 11845 OH2 TIP3 3198 62.348 12.322 43.226 1.00 0.00 WT1 O ATOM 11846 H1 TIP3 3198 62.094 12.729 42.398 1.00 0.00 WT1 H ATOM 11847 H2 TIP3 3198 61.538 11.942 43.565 1.00 0.00 WT1 H ATOM 11848 OH2 TIP3 3199 65.403 26.303 64.621 1.00 0.00 WT1 O ATOM 11849 H1 TIP3 3199 65.840 25.953 63.845 1.00 0.00 WT1 H ATOM 11850 H2 TIP3 3199 65.832 27.143 64.781 1.00 0.00 WT1 H ATOM 11851 OH2 TIP3 3200 67.288 23.262 35.583 1.00 0.00 WT1 O ATOM 11852 H1 TIP3 3200 66.953 23.090 34.703 1.00 0.00 WT1 H ATOM 11853 H2 TIP3 3200 68.064 23.805 35.442 1.00 0.00 WT1 H ATOM 11854 OH2 TIP3 3202 48.321 1.188 -15.202 1.00 0.00 WT1 O ATOM 11855 H1 TIP3 3202 48.795 1.776 -14.614 1.00 0.00 WT1 H ATOM 11856 H2 TIP3 3202 48.933 1.019 -15.918 1.00 0.00 WT1 H ATOM 11857 OH2 TIP3 3206 76.166 18.790 -14.346 1.00 0.00 WT1 O ATOM 11858 H1 TIP3 3206 75.376 18.576 -14.843 1.00 0.00 WT1 H ATOM 11859 H2 TIP3 3206 76.334 19.710 -14.549 1.00 0.00 WT1 H ATOM 11860 OH2 TIP3 3207 74.810 59.480 -13.002 1.00 0.00 WT1 O ATOM 11861 H1 TIP3 3207 74.062 58.927 -13.226 1.00 0.00 WT1 H ATOM 11862 H2 TIP3 3207 74.426 60.332 -12.796 1.00 0.00 WT1 H ATOM 11863 OH2 TIP3 3208 50.830 44.825 56.664 1.00 0.00 WT1 O ATOM 11864 H1 TIP3 3208 51.482 45.516 56.788 1.00 0.00 WT1 H ATOM 11865 H2 TIP3 3208 50.160 45.224 56.109 1.00 0.00 WT1 H ATOM 11866 OH2 TIP3 3209 60.820 96.330 25.560 1.00 0.00 WT1 O ATOM 11867 H1 TIP3 3209 60.137 96.241 24.895 1.00 0.00 WT1 H ATOM 11868 H2 TIP3 3209 61.521 95.749 25.263 1.00 0.00 WT1 H ATOM 11869 OH2 TIP3 3210 78.943 75.021 49.018 1.00 0.00 WT1 O ATOM 11870 H1 TIP3 3210 78.656 74.125 49.198 1.00 0.00 WT1 H ATOM 11871 H2 TIP3 3210 78.597 75.213 48.146 1.00 0.00 WT1 H ATOM 11872 OH2 TIP3 3211 41.595 63.863 48.142 1.00 0.00 WT1 O ATOM 11873 H1 TIP3 3211 41.916 63.559 47.293 1.00 0.00 WT1 H ATOM 11874 H2 TIP3 3211 42.382 64.144 48.609 1.00 0.00 WT1 H ATOM 11875 OH2 TIP3 3212 26.205 80.633 65.727 1.00 0.00 WT1 O ATOM 11876 H1 TIP3 3212 26.992 80.133 65.942 1.00 0.00 WT1 H ATOM 11877 H2 TIP3 3212 26.510 81.318 65.131 1.00 0.00 WT1 H ATOM 11878 OH2 TIP3 3213 28.060 76.256 58.036 1.00 0.00 WT1 O ATOM 11879 H1 TIP3 3213 27.660 76.607 58.832 1.00 0.00 WT1 H ATOM 11880 H2 TIP3 3213 28.960 76.051 58.289 1.00 0.00 WT1 H ATOM 11881 OH2 TIP3 3214 57.933 90.752 -1.743 1.00 0.00 WT1 O ATOM 11882 H1 TIP3 3214 57.336 90.126 -1.334 1.00 0.00 WT1 H ATOM 11883 H2 TIP3 3214 57.460 91.583 -1.724 1.00 0.00 WT1 H ATOM 11884 OH2 TIP3 3215 25.453 6.103 -0.827 1.00 0.00 WT1 O ATOM 11885 H1 TIP3 3215 25.664 5.951 -1.748 1.00 0.00 WT1 H ATOM 11886 H2 TIP3 3215 25.247 5.235 -0.482 1.00 0.00 WT1 H ATOM 11887 OH2 TIP3 3216 36.682 28.277 63.569 1.00 0.00 WT1 O ATOM 11888 H1 TIP3 3216 36.331 27.387 63.552 1.00 0.00 WT1 H ATOM 11889 H2 TIP3 3216 37.272 28.288 64.323 1.00 0.00 WT1 H ATOM 11890 OH2 TIP3 3217 23.568 61.694 44.829 1.00 0.00 WT1 O ATOM 11891 H1 TIP3 3217 22.925 61.440 44.168 1.00 0.00 WT1 H ATOM 11892 H2 TIP3 3217 23.507 61.012 45.498 1.00 0.00 WT1 H ATOM 11893 OH2 TIP3 3218 34.666 27.153 -14.634 1.00 0.00 WT1 O ATOM 11894 H1 TIP3 3218 33.734 27.326 -14.766 1.00 0.00 WT1 H ATOM 11895 H2 TIP3 3218 34.730 26.199 -14.591 1.00 0.00 WT1 H ATOM 11896 OH2 TIP3 3219 43.278 40.328 -9.768 1.00 0.00 WT1 O ATOM 11897 H1 TIP3 3219 44.204 40.494 -9.949 1.00 0.00 WT1 H ATOM 11898 H2 TIP3 3219 43.260 40.037 -8.857 1.00 0.00 WT1 H ATOM 11899 OH2 TIP3 3220 83.927 92.609 -1.345 1.00 0.00 WT1 O ATOM 11900 H1 TIP3 3220 84.131 91.785 -1.787 1.00 0.00 WT1 H ATOM 11901 H2 TIP3 3220 83.167 92.953 -1.814 1.00 0.00 WT1 H ATOM 11902 OH2 TIP3 3223 81.525 14.678 38.160 1.00 0.00 WT1 O ATOM 11903 H1 TIP3 3223 82.203 15.350 38.092 1.00 0.00 WT1 H ATOM 11904 H2 TIP3 3223 81.015 14.929 38.931 1.00 0.00 WT1 H ATOM 11905 OH2 TIP3 3225 56.354 27.143 63.467 1.00 0.00 WT1 O ATOM 11906 H1 TIP3 3225 56.551 26.385 64.016 1.00 0.00 WT1 H ATOM 11907 H2 TIP3 3225 56.730 26.925 62.614 1.00 0.00 WT1 H ATOM 11908 OH2 TIP3 3226 79.110 13.651 -8.090 1.00 0.00 WT1 O ATOM 11909 H1 TIP3 3226 78.480 13.974 -7.446 1.00 0.00 WT1 H ATOM 11910 H2 TIP3 3226 79.300 14.411 -8.641 1.00 0.00 WT1 H ATOM 11911 OH2 TIP3 3227 45.938 8.063 -13.243 1.00 0.00 WT1 O ATOM 11912 H1 TIP3 3227 45.961 7.667 -12.372 1.00 0.00 WT1 H ATOM 11913 H2 TIP3 3227 45.006 8.172 -13.434 1.00 0.00 WT1 H ATOM 11914 OH2 TIP3 3228 35.223 92.012 19.699 1.00 0.00 WT1 O ATOM 11915 H1 TIP3 3228 35.226 92.831 20.195 1.00 0.00 WT1 H ATOM 11916 H2 TIP3 3228 34.305 91.742 19.687 1.00 0.00 WT1 H ATOM 11917 OH2 TIP3 3230 89.744 92.164 41.677 1.00 0.00 WT1 O ATOM 11918 H1 TIP3 3230 89.668 92.771 40.940 1.00 0.00 WT1 H ATOM 11919 H2 TIP3 3230 88.882 92.184 42.093 1.00 0.00 WT1 H ATOM 11920 OH2 TIP3 3231 75.018 3.607 63.220 1.00 0.00 WT1 O ATOM 11921 H1 TIP3 3231 74.485 3.605 62.425 1.00 0.00 WT1 H ATOM 11922 H2 TIP3 3231 75.853 3.223 62.950 1.00 0.00 WT1 H ATOM 11923 OH2 TIP3 3232 42.194 81.797 27.131 1.00 0.00 WT1 O ATOM 11924 H1 TIP3 3232 42.724 81.004 27.211 1.00 0.00 WT1 H ATOM 11925 H2 TIP3 3232 41.313 81.525 27.388 1.00 0.00 WT1 H ATOM 11926 OH2 TIP3 3233 49.825 39.029 -14.686 1.00 0.00 WT1 O ATOM 11927 H1 TIP3 3233 49.632 38.787 -13.780 1.00 0.00 WT1 H ATOM 11928 H2 TIP3 3233 49.940 38.193 -15.138 1.00 0.00 WT1 H ATOM 11929 OH2 TIP3 3234 63.484 57.044 -11.075 1.00 0.00 WT1 O ATOM 11930 H1 TIP3 3234 63.037 56.358 -11.572 1.00 0.00 WT1 H ATOM 11931 H2 TIP3 3234 63.412 56.765 -10.162 1.00 0.00 WT1 H ATOM 11932 OH2 TIP3 3235 81.621 43.759 51.070 1.00 0.00 WT1 O ATOM 11933 H1 TIP3 3235 80.677 43.834 50.933 1.00 0.00 WT1 H ATOM 11934 H2 TIP3 3235 81.976 44.590 50.755 1.00 0.00 WT1 H ATOM 11935 OH2 TIP3 3236 59.500 24.840 -17.795 1.00 0.00 WT1 O ATOM 11936 H1 TIP3 3236 58.784 25.406 -17.505 1.00 0.00 WT1 H ATOM 11937 H2 TIP3 3236 59.110 24.288 -18.473 1.00 0.00 WT1 H ATOM 11938 OH2 TIP3 3237 38.217 81.730 41.156 1.00 0.00 WT1 O ATOM 11939 H1 TIP3 3237 38.802 82.280 40.636 1.00 0.00 WT1 H ATOM 11940 H2 TIP3 3237 38.740 80.957 41.370 1.00 0.00 WT1 H ATOM 11941 OH2 TIP3 3238 29.189 5.349 -4.563 1.00 0.00 WT1 O ATOM 11942 H1 TIP3 3238 29.310 6.228 -4.922 1.00 0.00 WT1 H ATOM 11943 H2 TIP3 3238 28.725 4.871 -5.251 1.00 0.00 WT1 H ATOM 11944 OH2 TIP3 3239 87.248 17.845 7.966 1.00 0.00 WT1 O ATOM 11945 H1 TIP3 3239 87.663 18.435 8.595 1.00 0.00 WT1 H ATOM 11946 H2 TIP3 3239 86.675 18.411 7.448 1.00 0.00 WT1 H ATOM 11947 OH2 TIP3 3240 63.179 59.325 35.718 1.00 0.00 WT1 O ATOM 11948 H1 TIP3 3240 62.222 59.298 35.736 1.00 0.00 WT1 H ATOM 11949 H2 TIP3 3240 63.388 60.168 35.317 1.00 0.00 WT1 H ATOM 11950 OH2 TIP3 3241 27.424 60.311 9.852 1.00 0.00 WT1 O ATOM 11951 H1 TIP3 3241 26.929 60.841 10.477 1.00 0.00 WT1 H ATOM 11952 H2 TIP3 3241 28.334 60.579 9.978 1.00 0.00 WT1 H ATOM 11953 OH2 TIP3 3242 83.734 72.406 15.992 1.00 0.00 WT1 O ATOM 11954 H1 TIP3 3242 83.215 72.168 16.760 1.00 0.00 WT1 H ATOM 11955 H2 TIP3 3242 83.186 72.160 15.247 1.00 0.00 WT1 H ATOM 11956 OH2 TIP3 3243 70.563 84.375 33.626 1.00 0.00 WT1 O ATOM 11957 H1 TIP3 3243 71.494 84.443 33.837 1.00 0.00 WT1 H ATOM 11958 H2 TIP3 3243 70.134 84.243 34.472 1.00 0.00 WT1 H ATOM 11959 OH2 TIP3 3244 57.294 1.960 -6.421 1.00 0.00 WT1 O ATOM 11960 H1 TIP3 3244 57.025 2.879 -6.400 1.00 0.00 WT1 H ATOM 11961 H2 TIP3 3244 57.757 1.827 -5.594 1.00 0.00 WT1 H ATOM 11962 OH2 TIP3 3245 84.409 5.645 9.007 1.00 0.00 WT1 O ATOM 11963 H1 TIP3 3245 84.687 4.989 9.645 1.00 0.00 WT1 H ATOM 11964 H2 TIP3 3245 83.457 5.552 8.967 1.00 0.00 WT1 H ATOM 11965 OH2 TIP3 3246 40.177 11.583 25.033 1.00 0.00 WT1 O ATOM 11966 H1 TIP3 3246 40.185 11.008 24.268 1.00 0.00 WT1 H ATOM 11967 H2 TIP3 3246 41.097 11.798 25.182 1.00 0.00 WT1 H ATOM 11968 OH2 TIP3 3247 79.965 86.664 -1.066 1.00 0.00 WT1 O ATOM 11969 H1 TIP3 3247 80.456 87.223 -1.669 1.00 0.00 WT1 H ATOM 11970 H2 TIP3 3247 80.339 85.792 -1.190 1.00 0.00 WT1 H ATOM 11971 OH2 TIP3 3249 55.088 1.212 -13.268 1.00 0.00 WT1 O ATOM 11972 H1 TIP3 3249 54.262 1.235 -12.785 1.00 0.00 WT1 H ATOM 11973 H2 TIP3 3249 55.551 0.451 -12.917 1.00 0.00 WT1 H ATOM 11974 OH2 TIP3 3250 65.771 74.182 38.631 1.00 0.00 WT1 O ATOM 11975 H1 TIP3 3250 66.085 74.592 37.825 1.00 0.00 WT1 H ATOM 11976 H2 TIP3 3250 65.440 73.328 38.352 1.00 0.00 WT1 H ATOM 11977 OH2 TIP3 3251 62.864 45.622 66.998 1.00 0.00 WT1 O ATOM 11978 H1 TIP3 3251 63.748 45.256 67.004 1.00 0.00 WT1 H ATOM 11979 H2 TIP3 3251 62.978 46.531 67.277 1.00 0.00 WT1 H ATOM 11980 OH2 TIP3 3252 36.361 0.691 58.738 1.00 0.00 WT1 O ATOM 11981 H1 TIP3 3252 35.920 -0.126 58.970 1.00 0.00 WT1 H ATOM 11982 H2 TIP3 3252 36.306 1.227 59.529 1.00 0.00 WT1 H ATOM 11983 OH2 TIP3 3253 24.559 93.794 -7.845 1.00 0.00 WT1 O ATOM 11984 H1 TIP3 3253 24.065 93.905 -7.033 1.00 0.00 WT1 H ATOM 11985 H2 TIP3 3253 24.886 92.895 -7.806 1.00 0.00 WT1 H ATOM 11986 OH2 TIP3 3254 33.598 84.501 65.542 1.00 0.00 WT1 O ATOM 11987 H1 TIP3 3254 33.633 83.607 65.881 1.00 0.00 WT1 H ATOM 11988 H2 TIP3 3254 33.998 85.035 66.229 1.00 0.00 WT1 H ATOM 11989 OH2 TIP3 3255 69.142 7.532 67.372 1.00 0.00 WT1 O ATOM 11990 H1 TIP3 3255 68.403 7.613 66.769 1.00 0.00 WT1 H ATOM 11991 H2 TIP3 3255 69.372 6.603 67.346 1.00 0.00 WT1 H ATOM 11992 OH2 TIP3 3256 24.215 50.844 56.343 1.00 0.00 WT1 O ATOM 11993 H1 TIP3 3256 23.431 50.708 56.875 1.00 0.00 WT1 H ATOM 11994 H2 TIP3 3256 24.202 50.127 55.709 1.00 0.00 WT1 H ATOM 11995 OH2 TIP3 3257 66.396 57.329 54.607 1.00 0.00 WT1 O ATOM 11996 H1 TIP3 3257 65.663 57.895 54.365 1.00 0.00 WT1 H ATOM 11997 H2 TIP3 3257 66.352 56.601 53.988 1.00 0.00 WT1 H ATOM 11998 OH2 TIP3 3258 73.637 53.883 63.817 1.00 0.00 WT1 O ATOM 11999 H1 TIP3 3258 73.034 53.151 63.684 1.00 0.00 WT1 H ATOM 12000 H2 TIP3 3258 73.127 54.526 64.311 1.00 0.00 WT1 H ATOM 12001 OH2 TIP3 3259 63.746 12.333 51.131 1.00 0.00 WT1 O ATOM 12002 H1 TIP3 3259 62.968 12.224 50.585 1.00 0.00 WT1 H ATOM 12003 H2 TIP3 3259 63.652 11.673 51.818 1.00 0.00 WT1 H ATOM 12004 OH2 TIP3 3260 40.047 14.540 44.671 1.00 0.00 WT1 O ATOM 12005 H1 TIP3 3260 40.208 15.276 44.079 1.00 0.00 WT1 H ATOM 12006 H2 TIP3 3260 40.834 13.999 44.600 1.00 0.00 WT1 H ATOM 12007 OH2 TIP3 3262 65.466 95.138 4.674 1.00 0.00 WT1 O ATOM 12008 H1 TIP3 3262 65.684 95.282 3.753 1.00 0.00 WT1 H ATOM 12009 H2 TIP3 3262 65.753 95.938 5.115 1.00 0.00 WT1 H ATOM 12010 OH2 TIP3 3263 41.715 75.305 53.307 1.00 0.00 WT1 O ATOM 12011 H1 TIP3 3263 42.670 75.237 53.327 1.00 0.00 WT1 H ATOM 12012 H2 TIP3 3263 41.437 74.597 52.726 1.00 0.00 WT1 H ATOM 12013 OH2 TIP3 3264 33.777 68.216 16.433 1.00 0.00 WT1 O ATOM 12014 H1 TIP3 3264 34.122 68.559 17.257 1.00 0.00 WT1 H ATOM 12015 H2 TIP3 3264 33.855 68.945 15.818 1.00 0.00 WT1 H ATOM 12016 OH2 TIP3 3265 52.503 66.681 12.143 1.00 0.00 WT1 O ATOM 12017 H1 TIP3 3265 52.619 66.015 12.821 1.00 0.00 WT1 H ATOM 12018 H2 TIP3 3265 53.030 67.422 12.441 1.00 0.00 WT1 H ATOM 12019 OH2 TIP3 3266 85.325 3.802 4.238 1.00 0.00 WT1 O ATOM 12020 H1 TIP3 3266 85.236 3.111 3.581 1.00 0.00 WT1 H ATOM 12021 H2 TIP3 3266 86.140 4.248 4.008 1.00 0.00 WT1 H ATOM 12022 OH2 TIP3 3268 63.971 96.054 7.024 1.00 0.00 WT1 O ATOM 12023 H1 TIP3 3268 64.803 95.653 7.278 1.00 0.00 WT1 H ATOM 12024 H2 TIP3 3268 64.070 96.240 6.091 1.00 0.00 WT1 H ATOM 12025 OH2 TIP3 3269 29.515 91.917 38.069 1.00 0.00 WT1 O ATOM 12026 H1 TIP3 3269 29.477 92.307 38.942 1.00 0.00 WT1 H ATOM 12027 H2 TIP3 3269 30.257 92.349 37.646 1.00 0.00 WT1 H ATOM 12028 OH2 TIP3 3270 39.410 32.642 37.692 1.00 0.00 WT1 O ATOM 12029 H1 TIP3 3270 40.110 33.137 38.118 1.00 0.00 WT1 H ATOM 12030 H2 TIP3 3270 39.439 32.923 36.778 1.00 0.00 WT1 H ATOM 12031 OH2 TIP3 3271 58.240 84.204 3.984 1.00 0.00 WT1 O ATOM 12032 H1 TIP3 3271 57.644 83.996 3.264 1.00 0.00 WT1 H ATOM 12033 H2 TIP3 3271 58.531 85.098 3.804 1.00 0.00 WT1 H ATOM 12034 OH2 TIP3 3274 83.334 17.516 -12.350 1.00 0.00 WT1 O ATOM 12035 H1 TIP3 3274 83.781 17.768 -11.541 1.00 0.00 WT1 H ATOM 12036 H2 TIP3 3274 82.407 17.674 -12.171 1.00 0.00 WT1 H ATOM 12037 OH2 TIP3 3276 69.199 51.043 -15.293 1.00 0.00 WT1 O ATOM 12038 H1 TIP3 3276 69.108 51.380 -14.402 1.00 0.00 WT1 H ATOM 12039 H2 TIP3 3276 69.101 50.095 -15.203 1.00 0.00 WT1 H ATOM 12040 OH2 TIP3 3277 50.656 57.997 63.648 1.00 0.00 WT1 O ATOM 12041 H1 TIP3 3277 50.542 58.270 64.559 1.00 0.00 WT1 H ATOM 12042 H2 TIP3 3277 50.887 57.070 63.703 1.00 0.00 WT1 H ATOM 12043 OH2 TIP3 3278 24.147 85.999 25.733 1.00 0.00 WT1 O ATOM 12044 H1 TIP3 3278 24.369 86.869 25.403 1.00 0.00 WT1 H ATOM 12045 H2 TIP3 3278 24.745 85.860 26.467 1.00 0.00 WT1 H ATOM 12046 OH2 TIP3 3279 47.028 28.143 49.026 1.00 0.00 WT1 O ATOM 12047 H1 TIP3 3279 46.209 28.611 49.191 1.00 0.00 WT1 H ATOM 12048 H2 TIP3 3279 47.297 28.432 48.154 1.00 0.00 WT1 H ATOM 12049 OH2 TIP3 3280 61.231 0.304 10.427 1.00 0.00 WT1 O ATOM 12050 H1 TIP3 3280 61.185 -0.047 9.538 1.00 0.00 WT1 H ATOM 12051 H2 TIP3 3280 61.970 -0.153 10.828 1.00 0.00 WT1 H ATOM 12052 OH2 TIP3 3281 82.671 89.796 44.980 1.00 0.00 WT1 O ATOM 12053 H1 TIP3 3281 83.024 89.591 44.115 1.00 0.00 WT1 H ATOM 12054 H2 TIP3 3281 82.445 90.725 44.933 1.00 0.00 WT1 H ATOM 12055 OH2 TIP3 3282 22.771 1.262 42.741 1.00 0.00 WT1 O ATOM 12056 H1 TIP3 3282 22.066 0.821 42.267 1.00 0.00 WT1 H ATOM 12057 H2 TIP3 3282 23.573 0.875 42.391 1.00 0.00 WT1 H ATOM 12058 OH2 TIP3 3283 63.907 43.411 12.110 1.00 0.00 WT1 O ATOM 12059 H1 TIP3 3283 63.911 43.418 13.067 1.00 0.00 WT1 H ATOM 12060 H2 TIP3 3283 63.112 43.887 11.870 1.00 0.00 WT1 H ATOM 12061 OH2 TIP3 3284 38.501 16.278 12.422 1.00 0.00 WT1 O ATOM 12062 H1 TIP3 3284 38.600 16.398 11.477 1.00 0.00 WT1 H ATOM 12063 H2 TIP3 3284 39.299 15.822 12.690 1.00 0.00 WT1 H ATOM 12064 OH2 TIP3 3285 31.767 43.483 39.015 1.00 0.00 WT1 O ATOM 12065 H1 TIP3 3285 31.669 44.356 39.395 1.00 0.00 WT1 H ATOM 12066 H2 TIP3 3285 32.261 43.627 38.208 1.00 0.00 WT1 H ATOM 12067 OH2 TIP3 3287 40.612 41.355 48.212 1.00 0.00 WT1 O ATOM 12068 H1 TIP3 3287 41.171 42.069 47.903 1.00 0.00 WT1 H ATOM 12069 H2 TIP3 3287 40.619 40.718 47.497 1.00 0.00 WT1 H ATOM 12070 OH2 TIP3 3289 57.701 64.558 38.803 1.00 0.00 WT1 O ATOM 12071 H1 TIP3 3289 57.474 64.618 37.875 1.00 0.00 WT1 H ATOM 12072 H2 TIP3 3289 57.161 63.842 39.137 1.00 0.00 WT1 H ATOM 12073 OH2 TIP3 3292 85.237 27.634 58.143 1.00 0.00 WT1 O ATOM 12074 H1 TIP3 3292 85.486 28.510 57.846 1.00 0.00 WT1 H ATOM 12075 H2 TIP3 3292 84.981 27.174 57.344 1.00 0.00 WT1 H ATOM 12076 OH2 TIP3 3294 87.388 37.279 11.976 1.00 0.00 WT1 O ATOM 12077 H1 TIP3 3294 87.116 37.520 11.091 1.00 0.00 WT1 H ATOM 12078 H2 TIP3 3294 86.666 36.748 12.314 1.00 0.00 WT1 H ATOM 12079 OH2 TIP3 3295 46.291 84.874 25.378 1.00 0.00 WT1 O ATOM 12080 H1 TIP3 3295 45.900 84.034 25.618 1.00 0.00 WT1 H ATOM 12081 H2 TIP3 3295 45.546 85.428 25.146 1.00 0.00 WT1 H ATOM 12082 OH2 TIP3 3296 57.870 11.438 -1.291 1.00 0.00 WT1 O ATOM 12083 H1 TIP3 3296 58.116 11.596 -0.380 1.00 0.00 WT1 H ATOM 12084 H2 TIP3 3296 57.514 10.550 -1.293 1.00 0.00 WT1 H ATOM 12085 OH2 TIP3 3297 87.590 83.898 -10.167 1.00 0.00 WT1 O ATOM 12086 H1 TIP3 3297 88.326 84.450 -10.431 1.00 0.00 WT1 H ATOM 12087 H2 TIP3 3297 87.727 83.746 -9.232 1.00 0.00 WT1 H ATOM 12088 OH2 TIP3 3298 41.038 57.162 55.209 1.00 0.00 WT1 O ATOM 12089 H1 TIP3 3298 41.727 57.780 55.454 1.00 0.00 WT1 H ATOM 12090 H2 TIP3 3298 40.545 57.020 56.017 1.00 0.00 WT1 H ATOM 12091 OH2 TIP3 3299 43.833 60.188 59.947 1.00 0.00 WT1 O ATOM 12092 H1 TIP3 3299 44.604 60.676 60.236 1.00 0.00 WT1 H ATOM 12093 H2 TIP3 3299 43.101 60.607 60.400 1.00 0.00 WT1 H ATOM 12094 OH2 TIP3 3300 48.150 25.565 54.147 1.00 0.00 WT1 O ATOM 12095 H1 TIP3 3300 47.589 25.241 53.443 1.00 0.00 WT1 H ATOM 12096 H2 TIP3 3300 48.069 26.518 54.100 1.00 0.00 WT1 H ATOM 12097 OH2 TIP3 3301 52.729 50.173 -8.459 1.00 0.00 WT1 O ATOM 12098 H1 TIP3 3301 52.252 50.452 -9.241 1.00 0.00 WT1 H ATOM 12099 H2 TIP3 3301 52.657 50.914 -7.857 1.00 0.00 WT1 H ATOM 12100 OH2 TIP3 3302 24.274 16.989 43.133 1.00 0.00 WT1 O ATOM 12101 H1 TIP3 3302 24.302 16.902 42.180 1.00 0.00 WT1 H ATOM 12102 H2 TIP3 3302 25.157 16.757 43.421 1.00 0.00 WT1 H ATOM 12103 OH2 TIP3 3303 89.754 66.554 -2.124 1.00 0.00 WT1 O ATOM 12104 H1 TIP3 3303 89.337 65.692 -2.150 1.00 0.00 WT1 H ATOM 12105 H2 TIP3 3303 89.710 66.869 -3.027 1.00 0.00 WT1 H ATOM 12106 OH2 TIP3 3304 35.174 7.575 -19.816 1.00 0.00 WT1 O ATOM 12107 H1 TIP3 3304 34.223 7.567 -19.705 1.00 0.00 WT1 H ATOM 12108 H2 TIP3 3304 35.374 6.734 -20.228 1.00 0.00 WT1 H ATOM 12109 OH2 TIP3 3305 79.991 21.610 51.135 1.00 0.00 WT1 O ATOM 12110 H1 TIP3 3305 80.491 21.921 50.380 1.00 0.00 WT1 H ATOM 12111 H2 TIP3 3305 79.425 20.924 50.782 1.00 0.00 WT1 H ATOM 12112 OH2 TIP3 3308 74.802 48.900 -11.429 1.00 0.00 WT1 O ATOM 12113 H1 TIP3 3308 74.804 49.814 -11.715 1.00 0.00 WT1 H ATOM 12114 H2 TIP3 3308 74.991 48.942 -10.492 1.00 0.00 WT1 H ATOM 12115 OH2 TIP3 3309 62.981 6.301 24.352 1.00 0.00 WT1 O ATOM 12116 H1 TIP3 3309 62.615 5.686 23.716 1.00 0.00 WT1 H ATOM 12117 H2 TIP3 3309 62.285 6.419 24.999 1.00 0.00 WT1 H ATOM 12118 OH2 TIP3 3310 83.258 16.766 -15.343 1.00 0.00 WT1 O ATOM 12119 H1 TIP3 3310 83.081 16.645 -14.410 1.00 0.00 WT1 H ATOM 12120 H2 TIP3 3310 83.518 17.684 -15.421 1.00 0.00 WT1 H ATOM 12121 OH2 TIP3 3313 49.945 40.369 40.633 1.00 0.00 WT1 O ATOM 12122 H1 TIP3 3313 49.488 41.071 40.170 1.00 0.00 WT1 H ATOM 12123 H2 TIP3 3313 49.290 40.007 41.230 1.00 0.00 WT1 H ATOM 12124 OH2 TIP3 3316 88.167 16.880 -10.510 1.00 0.00 WT1 O ATOM 12125 H1 TIP3 3316 88.861 17.476 -10.228 1.00 0.00 WT1 H ATOM 12126 H2 TIP3 3316 88.147 16.199 -9.838 1.00 0.00 WT1 H ATOM 12127 OH2 TIP3 3317 28.196 14.386 64.299 1.00 0.00 WT1 O ATOM 12128 H1 TIP3 3317 27.538 14.699 64.920 1.00 0.00 WT1 H ATOM 12129 H2 TIP3 3317 28.556 13.598 64.707 1.00 0.00 WT1 H ATOM 12130 OH2 TIP3 3319 52.289 34.026 4.227 1.00 0.00 WT1 O ATOM 12131 H1 TIP3 3319 51.973 33.738 5.083 1.00 0.00 WT1 H ATOM 12132 H2 TIP3 3319 53.242 34.038 4.314 1.00 0.00 WT1 H ATOM 12133 OH2 TIP3 3320 40.132 25.838 53.606 1.00 0.00 WT1 O ATOM 12134 H1 TIP3 3320 40.840 26.026 52.990 1.00 0.00 WT1 H ATOM 12135 H2 TIP3 3320 39.713 25.052 53.257 1.00 0.00 WT1 H ATOM 12136 OH2 TIP3 3321 42.750 32.858 -12.665 1.00 0.00 WT1 O ATOM 12137 H1 TIP3 3321 41.946 32.685 -12.175 1.00 0.00 WT1 H ATOM 12138 H2 TIP3 3321 43.084 31.990 -12.891 1.00 0.00 WT1 H ATOM 12139 OH2 TIP3 3322 63.372 77.454 44.450 1.00 0.00 WT1 O ATOM 12140 H1 TIP3 3322 63.179 76.928 43.675 1.00 0.00 WT1 H ATOM 12141 H2 TIP3 3322 64.243 77.815 44.284 1.00 0.00 WT1 H ATOM 12142 OH2 TIP3 3323 24.581 50.315 -12.346 1.00 0.00 WT1 O ATOM 12143 H1 TIP3 3323 23.743 50.733 -12.146 1.00 0.00 WT1 H ATOM 12144 H2 TIP3 3323 25.210 50.750 -11.770 1.00 0.00 WT1 H ATOM 12145 OH2 TIP3 3324 38.294 5.704 -18.051 1.00 0.00 WT1 O ATOM 12146 H1 TIP3 3324 37.511 5.498 -17.541 1.00 0.00 WT1 H ATOM 12147 H2 TIP3 3324 39.003 5.252 -17.595 1.00 0.00 WT1 H ATOM 12148 OH2 TIP3 3325 33.476 14.725 67.106 1.00 0.00 WT1 O ATOM 12149 H1 TIP3 3325 33.741 15.132 66.281 1.00 0.00 WT1 H ATOM 12150 H2 TIP3 3325 32.703 15.219 67.379 1.00 0.00 WT1 H ATOM 12151 OH2 TIP3 3326 51.212 35.988 7.507 1.00 0.00 WT1 O ATOM 12152 H1 TIP3 3326 51.684 36.737 7.143 1.00 0.00 WT1 H ATOM 12153 H2 TIP3 3326 51.280 36.099 8.456 1.00 0.00 WT1 H ATOM 12154 OH2 TIP3 3327 59.773 15.968 -7.187 1.00 0.00 WT1 O ATOM 12155 H1 TIP3 3327 59.029 15.930 -6.586 1.00 0.00 WT1 H ATOM 12156 H2 TIP3 3327 59.522 15.400 -7.915 1.00 0.00 WT1 H ATOM 12157 OH2 TIP3 3329 51.328 38.680 5.898 1.00 0.00 WT1 O ATOM 12158 H1 TIP3 3329 51.433 39.361 5.234 1.00 0.00 WT1 H ATOM 12159 H2 TIP3 3329 51.779 39.025 6.669 1.00 0.00 WT1 H ATOM 12160 OH2 TIP3 3332 64.132 88.931 -5.949 1.00 0.00 WT1 O ATOM 12161 H1 TIP3 3332 63.836 89.788 -5.643 1.00 0.00 WT1 H ATOM 12162 H2 TIP3 3332 63.939 88.931 -6.886 1.00 0.00 WT1 H ATOM 12163 OH2 TIP3 3334 51.344 38.121 24.259 1.00 0.00 WT1 O ATOM 12164 H1 TIP3 3334 51.790 38.726 23.667 1.00 0.00 WT1 H ATOM 12165 H2 TIP3 3334 50.977 37.449 23.685 1.00 0.00 WT1 H ATOM 12166 OH2 TIP3 3336 62.524 4.578 33.388 1.00 0.00 WT1 O ATOM 12167 H1 TIP3 3336 61.847 5.023 32.879 1.00 0.00 WT1 H ATOM 12168 H2 TIP3 3336 63.306 4.623 32.838 1.00 0.00 WT1 H ATOM 12169 OH2 TIP3 3337 85.590 58.056 9.254 1.00 0.00 WT1 O ATOM 12170 H1 TIP3 3337 86.506 58.194 9.010 1.00 0.00 WT1 H ATOM 12171 H2 TIP3 3337 85.095 58.299 8.471 1.00 0.00 WT1 H ATOM 12172 OH2 TIP3 3338 46.324 50.583 -1.577 1.00 0.00 WT1 O ATOM 12173 H1 TIP3 3338 45.773 50.423 -0.810 1.00 0.00 WT1 H ATOM 12174 H2 TIP3 3338 46.698 51.451 -1.427 1.00 0.00 WT1 H ATOM 12175 OH2 TIP3 3339 68.638 50.146 20.352 1.00 0.00 WT1 O ATOM 12176 H1 TIP3 3339 68.143 50.061 19.537 1.00 0.00 WT1 H ATOM 12177 H2 TIP3 3339 68.083 50.687 20.914 1.00 0.00 WT1 H ATOM 12178 OH2 TIP3 3341 34.236 31.663 48.522 1.00 0.00 WT1 O ATOM 12179 H1 TIP3 3341 34.330 30.717 48.411 1.00 0.00 WT1 H ATOM 12180 H2 TIP3 3341 33.435 31.882 48.046 1.00 0.00 WT1 H ATOM 12181 OH2 TIP3 3342 88.208 30.630 31.905 1.00 0.00 WT1 O ATOM 12182 H1 TIP3 3342 88.938 30.644 31.286 1.00 0.00 WT1 H ATOM 12183 H2 TIP3 3342 88.238 31.486 32.332 1.00 0.00 WT1 H ATOM 12184 OH2 TIP3 3343 79.779 60.084 30.396 1.00 0.00 WT1 O ATOM 12185 H1 TIP3 3343 80.201 59.259 30.160 1.00 0.00 WT1 H ATOM 12186 H2 TIP3 3343 78.887 59.837 30.640 1.00 0.00 WT1 H ATOM 12187 OH2 TIP3 3344 86.310 9.571 -16.123 1.00 0.00 WT1 O ATOM 12188 H1 TIP3 3344 87.039 9.738 -15.526 1.00 0.00 WT1 H ATOM 12189 H2 TIP3 3344 85.851 10.409 -16.181 1.00 0.00 WT1 H ATOM 12190 OH2 TIP3 3345 44.430 90.318 -10.245 1.00 0.00 WT1 O ATOM 12191 H1 TIP3 3345 44.175 90.792 -11.036 1.00 0.00 WT1 H ATOM 12192 H2 TIP3 3345 44.163 90.891 -9.526 1.00 0.00 WT1 H ATOM 12193 OH2 TIP3 3347 79.423 18.676 -9.491 1.00 0.00 WT1 O ATOM 12194 H1 TIP3 3347 78.823 18.269 -8.866 1.00 0.00 WT1 H ATOM 12195 H2 TIP3 3347 80.205 18.878 -8.977 1.00 0.00 WT1 H ATOM 12196 OH2 TIP3 3348 77.603 81.634 12.997 1.00 0.00 WT1 O ATOM 12197 H1 TIP3 3348 78.493 81.282 12.988 1.00 0.00 WT1 H ATOM 12198 H2 TIP3 3348 77.633 82.376 12.393 1.00 0.00 WT1 H ATOM 12199 OH2 TIP3 3349 30.368 6.993 17.272 1.00 0.00 WT1 O ATOM 12200 H1 TIP3 3349 29.966 7.119 18.132 1.00 0.00 WT1 H ATOM 12201 H2 TIP3 3349 30.590 6.062 17.245 1.00 0.00 WT1 H ATOM 12202 OH2 TIP3 3350 89.356 39.677 59.298 1.00 0.00 WT1 O ATOM 12203 H1 TIP3 3350 90.269 39.542 59.550 1.00 0.00 WT1 H ATOM 12204 H2 TIP3 3350 89.044 40.363 59.889 1.00 0.00 WT1 H ATOM 12205 OH2 TIP3 3355 53.817 24.822 7.630 1.00 0.00 WT1 O ATOM 12206 H1 TIP3 3355 54.329 25.591 7.382 1.00 0.00 WT1 H ATOM 12207 H2 TIP3 3355 53.887 24.785 8.584 1.00 0.00 WT1 H ATOM 12208 OH2 TIP3 3356 51.486 31.365 16.436 1.00 0.00 WT1 O ATOM 12209 H1 TIP3 3356 51.234 32.264 16.224 1.00 0.00 WT1 H ATOM 12210 H2 TIP3 3356 50.667 30.940 16.691 1.00 0.00 WT1 H ATOM 12211 OH2 TIP3 3358 39.264 47.705 34.738 1.00 0.00 WT1 O ATOM 12212 H1 TIP3 3358 39.501 47.042 35.386 1.00 0.00 WT1 H ATOM 12213 H2 TIP3 3358 39.085 48.491 35.253 1.00 0.00 WT1 H ATOM 12214 OH2 TIP3 3359 68.339 46.318 45.577 1.00 0.00 WT1 O ATOM 12215 H1 TIP3 3359 69.226 46.443 45.240 1.00 0.00 WT1 H ATOM 12216 H2 TIP3 3359 67.793 46.889 45.037 1.00 0.00 WT1 H ATOM 12217 OH2 TIP3 3360 69.435 5.899 3.874 1.00 0.00 WT1 O ATOM 12218 H1 TIP3 3360 70.376 5.892 4.050 1.00 0.00 WT1 H ATOM 12219 H2 TIP3 3360 69.151 6.779 4.121 1.00 0.00 WT1 H ATOM 12220 OH2 TIP3 3361 32.826 17.371 -5.457 1.00 0.00 WT1 O ATOM 12221 H1 TIP3 3361 32.943 18.280 -5.734 1.00 0.00 WT1 H ATOM 12222 H2 TIP3 3361 33.711 17.007 -5.450 1.00 0.00 WT1 H ATOM 12223 OH2 TIP3 3362 39.218 50.277 56.704 1.00 0.00 WT1 O ATOM 12224 H1 TIP3 3362 38.845 50.976 56.167 1.00 0.00 WT1 H ATOM 12225 H2 TIP3 3362 39.967 49.961 56.199 1.00 0.00 WT1 H ATOM 12226 OH2 TIP3 3363 51.154 48.310 34.048 1.00 0.00 WT1 O ATOM 12227 H1 TIP3 3363 51.099 49.240 34.265 1.00 0.00 WT1 H ATOM 12228 H2 TIP3 3363 51.162 48.286 33.091 1.00 0.00 WT1 H ATOM 12229 OH2 TIP3 3364 39.117 41.603 52.912 1.00 0.00 WT1 O ATOM 12230 H1 TIP3 3364 39.457 41.659 53.805 1.00 0.00 WT1 H ATOM 12231 H2 TIP3 3364 38.919 42.508 52.673 1.00 0.00 WT1 H ATOM 12232 OH2 TIP3 3365 84.664 44.397 39.194 1.00 0.00 WT1 O ATOM 12233 H1 TIP3 3365 84.357 44.606 40.076 1.00 0.00 WT1 H ATOM 12234 H2 TIP3 3365 83.986 43.827 38.831 1.00 0.00 WT1 H ATOM 12235 OH2 TIP3 3366 63.154 68.987 33.378 1.00 0.00 WT1 O ATOM 12236 H1 TIP3 3366 63.400 68.412 32.654 1.00 0.00 WT1 H ATOM 12237 H2 TIP3 3366 62.351 68.602 33.729 1.00 0.00 WT1 H ATOM 12238 OH2 TIP3 3367 68.497 78.068 -11.620 1.00 0.00 WT1 O ATOM 12239 H1 TIP3 3367 68.847 78.134 -12.509 1.00 0.00 WT1 H ATOM 12240 H2 TIP3 3367 68.098 77.199 -11.584 1.00 0.00 WT1 H ATOM 12241 OH2 TIP3 3368 26.928 42.088 61.994 1.00 0.00 WT1 O ATOM 12242 H1 TIP3 3368 27.259 42.762 61.402 1.00 0.00 WT1 H ATOM 12243 H2 TIP3 3368 27.619 41.981 62.648 1.00 0.00 WT1 H ATOM 12244 OH2 TIP3 3370 84.557 93.939 31.572 1.00 0.00 WT1 O ATOM 12245 H1 TIP3 3370 84.941 93.215 32.066 1.00 0.00 WT1 H ATOM 12246 H2 TIP3 3370 85.242 94.607 31.552 1.00 0.00 WT1 H ATOM 12247 OH2 TIP3 3371 42.750 38.122 5.930 1.00 0.00 WT1 O ATOM 12248 H1 TIP3 3371 42.758 37.725 6.801 1.00 0.00 WT1 H ATOM 12249 H2 TIP3 3371 43.101 39.002 6.064 1.00 0.00 WT1 H ATOM 12250 OH2 TIP3 3373 34.765 93.059 -1.113 1.00 0.00 WT1 O ATOM 12251 H1 TIP3 3373 34.600 94.000 -1.056 1.00 0.00 WT1 H ATOM 12252 H2 TIP3 3373 34.157 92.670 -0.485 1.00 0.00 WT1 H ATOM 12253 OH2 TIP3 3377 85.057 64.070 58.928 1.00 0.00 WT1 O ATOM 12254 H1 TIP3 3377 84.841 64.760 58.302 1.00 0.00 WT1 H ATOM 12255 H2 TIP3 3377 85.477 63.390 58.401 1.00 0.00 WT1 H ATOM 12256 OH2 TIP3 3379 89.597 10.368 -9.296 1.00 0.00 WT1 O ATOM 12257 H1 TIP3 3379 89.444 10.656 -8.396 1.00 0.00 WT1 H ATOM 12258 H2 TIP3 3379 89.267 11.085 -9.837 1.00 0.00 WT1 H ATOM 12259 OH2 TIP3 3380 56.669 42.093 35.255 1.00 0.00 WT1 O ATOM 12260 H1 TIP3 3380 57.048 42.935 35.507 1.00 0.00 WT1 H ATOM 12261 H2 TIP3 3380 55.929 41.975 35.851 1.00 0.00 WT1 H ATOM 12262 OH2 TIP3 3381 25.332 34.441 47.505 1.00 0.00 WT1 O ATOM 12263 H1 TIP3 3381 25.721 33.607 47.242 1.00 0.00 WT1 H ATOM 12264 H2 TIP3 3381 24.432 34.398 47.182 1.00 0.00 WT1 H ATOM 12265 OH2 TIP3 3382 55.933 42.298 59.030 1.00 0.00 WT1 O ATOM 12266 H1 TIP3 3382 55.609 43.051 59.524 1.00 0.00 WT1 H ATOM 12267 H2 TIP3 3382 55.987 42.610 58.126 1.00 0.00 WT1 H ATOM 12268 OH2 TIP3 3383 36.619 11.366 63.941 1.00 0.00 WT1 O ATOM 12269 H1 TIP3 3383 37.543 11.146 63.824 1.00 0.00 WT1 H ATOM 12270 H2 TIP3 3383 36.390 10.996 64.794 1.00 0.00 WT1 H ATOM 12271 OH2 TIP3 3384 83.997 89.919 39.591 1.00 0.00 WT1 O ATOM 12272 H1 TIP3 3384 84.589 90.201 40.289 1.00 0.00 WT1 H ATOM 12273 H2 TIP3 3384 83.255 90.520 39.648 1.00 0.00 WT1 H ATOM 12274 OH2 TIP3 3385 73.186 31.358 36.332 1.00 0.00 WT1 O ATOM 12275 H1 TIP3 3385 73.814 31.746 36.941 1.00 0.00 WT1 H ATOM 12276 H2 TIP3 3385 73.120 30.443 36.606 1.00 0.00 WT1 H ATOM 12277 OH2 TIP3 3386 46.923 71.454 5.698 1.00 0.00 WT1 O ATOM 12278 H1 TIP3 3386 47.591 71.871 5.154 1.00 0.00 WT1 H ATOM 12279 H2 TIP3 3386 47.378 71.235 6.511 1.00 0.00 WT1 H ATOM 12280 OH2 TIP3 3387 71.930 54.829 -5.677 1.00 0.00 WT1 O ATOM 12281 H1 TIP3 3387 72.078 53.917 -5.930 1.00 0.00 WT1 H ATOM 12282 H2 TIP3 3387 72.135 55.333 -6.464 1.00 0.00 WT1 H ATOM 12283 OH2 TIP3 3388 77.380 65.319 35.737 1.00 0.00 WT1 O ATOM 12284 H1 TIP3 3388 77.002 64.682 35.130 1.00 0.00 WT1 H ATOM 12285 H2 TIP3 3388 76.876 65.211 36.543 1.00 0.00 WT1 H ATOM 12286 OH2 TIP3 3389 44.946 34.225 50.551 1.00 0.00 WT1 O ATOM 12287 H1 TIP3 3389 45.068 35.013 51.080 1.00 0.00 WT1 H ATOM 12288 H2 TIP3 3389 45.123 34.508 49.654 1.00 0.00 WT1 H ATOM 12289 OH2 TIP3 3390 66.826 16.355 34.314 1.00 0.00 WT1 O ATOM 12290 H1 TIP3 3390 67.161 16.083 33.460 1.00 0.00 WT1 H ATOM 12291 H2 TIP3 3390 67.033 17.288 34.366 1.00 0.00 WT1 H ATOM 12292 OH2 TIP3 3393 43.323 90.600 0.744 1.00 0.00 WT1 O ATOM 12293 H1 TIP3 3393 44.125 90.715 1.253 1.00 0.00 WT1 H ATOM 12294 H2 TIP3 3393 42.731 90.131 1.331 1.00 0.00 WT1 H ATOM 12295 OH2 TIP3 3398 29.090 54.388 49.682 1.00 0.00 WT1 O ATOM 12296 H1 TIP3 3398 28.188 54.100 49.543 1.00 0.00 WT1 H ATOM 12297 H2 TIP3 3398 29.183 54.435 50.633 1.00 0.00 WT1 H ATOM 12298 OH2 TIP3 3401 40.661 36.603 38.494 1.00 0.00 WT1 O ATOM 12299 H1 TIP3 3401 39.838 36.411 38.044 1.00 0.00 WT1 H ATOM 12300 H2 TIP3 3401 41.004 37.377 38.047 1.00 0.00 WT1 H ATOM 12301 OH2 TIP3 3402 75.168 16.050 54.925 1.00 0.00 WT1 O ATOM 12302 H1 TIP3 3402 74.981 15.118 54.816 1.00 0.00 WT1 H ATOM 12303 H2 TIP3 3402 74.843 16.456 54.121 1.00 0.00 WT1 H ATOM 12304 OH2 TIP3 3404 49.470 67.901 1.873 1.00 0.00 WT1 O ATOM 12305 H1 TIP3 3404 48.869 67.156 1.911 1.00 0.00 WT1 H ATOM 12306 H2 TIP3 3404 49.905 67.902 2.725 1.00 0.00 WT1 H ATOM 12307 OH2 TIP3 3405 64.749 20.758 49.311 1.00 0.00 WT1 O ATOM 12308 H1 TIP3 3405 64.497 20.040 49.892 1.00 0.00 WT1 H ATOM 12309 H2 TIP3 3405 64.002 21.356 49.331 1.00 0.00 WT1 H ATOM 12310 OH2 TIP3 3406 49.027 15.046 57.083 1.00 0.00 WT1 O ATOM 12311 H1 TIP3 3406 48.964 14.095 56.991 1.00 0.00 WT1 H ATOM 12312 H2 TIP3 3406 48.344 15.389 56.507 1.00 0.00 WT1 H ATOM 12313 OH2 TIP3 3407 84.479 86.162 -10.675 1.00 0.00 WT1 O ATOM 12314 H1 TIP3 3407 85.267 86.439 -10.208 1.00 0.00 WT1 H ATOM 12315 H2 TIP3 3407 83.821 86.050 -9.989 1.00 0.00 WT1 H ATOM 12316 OH2 TIP3 3408 66.161 24.891 14.974 1.00 0.00 WT1 O ATOM 12317 H1 TIP3 3408 65.787 25.606 15.490 1.00 0.00 WT1 H ATOM 12318 H2 TIP3 3408 65.419 24.535 14.485 1.00 0.00 WT1 H ATOM 12319 OH2 TIP3 3409 43.747 0.731 -1.586 1.00 0.00 WT1 O ATOM 12320 H1 TIP3 3409 42.829 0.630 -1.335 1.00 0.00 WT1 H ATOM 12321 H2 TIP3 3409 44.102 1.354 -0.951 1.00 0.00 WT1 H ATOM 12322 OH2 TIP3 3410 39.810 69.312 34.038 1.00 0.00 WT1 O ATOM 12323 H1 TIP3 3410 39.728 70.147 34.499 1.00 0.00 WT1 H ATOM 12324 H2 TIP3 3410 40.753 69.192 33.923 1.00 0.00 WT1 H ATOM 12325 OH2 TIP3 3411 37.557 31.033 -17.731 1.00 0.00 WT1 O ATOM 12326 H1 TIP3 3411 38.032 31.645 -17.169 1.00 0.00 WT1 H ATOM 12327 H2 TIP3 3411 36.673 31.008 -17.365 1.00 0.00 WT1 H ATOM 12328 OH2 TIP3 3412 40.549 48.322 38.712 1.00 0.00 WT1 O ATOM 12329 H1 TIP3 3412 40.112 47.681 39.273 1.00 0.00 WT1 H ATOM 12330 H2 TIP3 3412 41.212 48.721 39.275 1.00 0.00 WT1 H ATOM 12331 OH2 TIP3 3420 33.933 49.964 41.592 1.00 0.00 WT1 O ATOM 12332 H1 TIP3 3420 34.223 49.248 42.157 1.00 0.00 WT1 H ATOM 12333 H2 TIP3 3420 34.097 50.755 42.104 1.00 0.00 WT1 H ATOM 12334 OH2 TIP3 3421 51.395 54.456 23.188 1.00 0.00 WT1 O ATOM 12335 H1 TIP3 3421 51.422 55.220 22.612 1.00 0.00 WT1 H ATOM 12336 H2 TIP3 3421 51.674 53.728 22.634 1.00 0.00 WT1 H ATOM 12337 OH2 TIP3 3422 33.013 19.056 8.492 1.00 0.00 WT1 O ATOM 12338 H1 TIP3 3422 33.930 18.819 8.634 1.00 0.00 WT1 H ATOM 12339 H2 TIP3 3422 32.575 18.820 9.310 1.00 0.00 WT1 H ATOM 12340 OH2 TIP3 3423 39.064 96.512 36.748 1.00 0.00 WT1 O ATOM 12341 H1 TIP3 3423 38.938 95.625 36.409 1.00 0.00 WT1 H ATOM 12342 H2 TIP3 3423 39.902 96.476 37.208 1.00 0.00 WT1 H ATOM 12343 OH2 TIP3 3424 25.024 64.424 53.371 1.00 0.00 WT1 O ATOM 12344 H1 TIP3 3424 25.846 63.935 53.397 1.00 0.00 WT1 H ATOM 12345 H2 TIP3 3424 25.231 65.218 52.878 1.00 0.00 WT1 H ATOM 12346 OH2 TIP3 3425 22.739 56.046 33.936 1.00 0.00 WT1 O ATOM 12347 H1 TIP3 3425 22.589 55.103 34.005 1.00 0.00 WT1 H ATOM 12348 H2 TIP3 3425 22.166 56.330 33.225 1.00 0.00 WT1 H ATOM 12349 OH2 TIP3 3426 36.944 71.671 8.835 1.00 0.00 WT1 O ATOM 12350 H1 TIP3 3426 37.297 72.550 8.696 1.00 0.00 WT1 H ATOM 12351 H2 TIP3 3426 37.709 71.136 9.047 1.00 0.00 WT1 H ATOM 12352 OH2 TIP3 3427 90.117 0.895 -5.269 1.00 0.00 WT1 O ATOM 12353 H1 TIP3 3427 89.373 0.292 -5.263 1.00 0.00 WT1 H ATOM 12354 H2 TIP3 3427 90.166 1.206 -6.173 1.00 0.00 WT1 H ATOM 12355 OH2 TIP3 3428 67.410 5.129 63.422 1.00 0.00 WT1 O ATOM 12356 H1 TIP3 3428 67.569 5.832 62.792 1.00 0.00 WT1 H ATOM 12357 H2 TIP3 3428 67.888 4.378 63.069 1.00 0.00 WT1 H ATOM 12358 OH2 TIP3 3429 55.702 36.584 39.374 1.00 0.00 WT1 O ATOM 12359 H1 TIP3 3429 56.242 37.159 38.831 1.00 0.00 WT1 H ATOM 12360 H2 TIP3 3429 56.131 36.590 40.230 1.00 0.00 WT1 H ATOM 12361 OH2 TIP3 3430 88.739 81.771 15.643 1.00 0.00 WT1 O ATOM 12362 H1 TIP3 3430 88.206 82.548 15.475 1.00 0.00 WT1 H ATOM 12363 H2 TIP3 3430 89.174 81.954 16.476 1.00 0.00 WT1 H ATOM 12364 OH2 TIP3 3431 28.006 37.895 30.001 1.00 0.00 WT1 O ATOM 12365 H1 TIP3 3431 27.826 38.828 30.115 1.00 0.00 WT1 H ATOM 12366 H2 TIP3 3431 27.720 37.703 29.108 1.00 0.00 WT1 H ATOM 12367 OH2 TIP3 3432 64.392 50.009 -16.539 1.00 0.00 WT1 O ATOM 12368 H1 TIP3 3432 65.113 49.700 -15.991 1.00 0.00 WT1 H ATOM 12369 H2 TIP3 3432 63.606 49.841 -16.019 1.00 0.00 WT1 H ATOM 12370 OH2 TIP3 3433 61.282 62.028 37.089 1.00 0.00 WT1 O ATOM 12371 H1 TIP3 3433 60.770 61.717 36.342 1.00 0.00 WT1 H ATOM 12372 H2 TIP3 3433 61.078 62.961 37.148 1.00 0.00 WT1 H ATOM 12373 OH2 TIP3 3434 68.679 73.793 53.200 1.00 0.00 WT1 O ATOM 12374 H1 TIP3 3434 69.558 73.828 52.822 1.00 0.00 WT1 H ATOM 12375 H2 TIP3 3434 68.482 72.859 53.264 1.00 0.00 WT1 H ATOM 12376 OH2 TIP3 3436 32.990 67.790 6.458 1.00 0.00 WT1 O ATOM 12377 H1 TIP3 3436 32.533 68.310 5.797 1.00 0.00 WT1 H ATOM 12378 H2 TIP3 3436 32.590 68.052 7.287 1.00 0.00 WT1 H ATOM 12379 OH2 TIP3 3437 89.612 89.633 29.942 1.00 0.00 WT1 O ATOM 12380 H1 TIP3 3437 90.001 89.098 30.634 1.00 0.00 WT1 H ATOM 12381 H2 TIP3 3437 88.926 90.135 30.384 1.00 0.00 WT1 H ATOM 12382 OH2 TIP3 3438 49.260 20.642 -1.398 1.00 0.00 WT1 O ATOM 12383 H1 TIP3 3438 50.149 20.998 -1.402 1.00 0.00 WT1 H ATOM 12384 H2 TIP3 3438 48.790 21.178 -0.758 1.00 0.00 WT1 H ATOM 12385 OH2 TIP3 3439 76.837 69.933 1.433 1.00 0.00 WT1 O ATOM 12386 H1 TIP3 3439 76.636 69.928 2.369 1.00 0.00 WT1 H ATOM 12387 H2 TIP3 3439 77.056 69.023 1.230 1.00 0.00 WT1 H ATOM 12388 OH2 TIP3 3440 66.880 35.069 32.143 1.00 0.00 WT1 O ATOM 12389 H1 TIP3 3440 66.331 34.629 31.493 1.00 0.00 WT1 H ATOM 12390 H2 TIP3 3440 66.639 35.993 32.075 1.00 0.00 WT1 H ATOM 12391 OH2 TIP3 3441 64.930 1.490 -0.328 1.00 0.00 WT1 O ATOM 12392 H1 TIP3 3441 64.946 2.194 0.319 1.00 0.00 WT1 H ATOM 12393 H2 TIP3 3441 64.912 1.940 -1.173 1.00 0.00 WT1 H ATOM 12394 OH2 TIP3 3442 22.032 5.431 59.634 1.00 0.00 WT1 O ATOM 12395 H1 TIP3 3442 22.191 6.048 58.920 1.00 0.00 WT1 H ATOM 12396 H2 TIP3 3442 22.880 5.343 60.069 1.00 0.00 WT1 H ATOM 12397 OH2 TIP3 3444 34.665 36.358 5.076 1.00 0.00 WT1 O ATOM 12398 H1 TIP3 3444 35.033 35.812 5.771 1.00 0.00 WT1 H ATOM 12399 H2 TIP3 3444 34.275 37.101 5.536 1.00 0.00 WT1 H ATOM 12400 OH2 TIP3 3445 23.002 62.782 -14.371 1.00 0.00 WT1 O ATOM 12401 H1 TIP3 3445 23.424 63.490 -13.885 1.00 0.00 WT1 H ATOM 12402 H2 TIP3 3445 23.294 62.903 -15.275 1.00 0.00 WT1 H ATOM 12403 OH2 TIP3 3446 39.999 25.946 47.882 1.00 0.00 WT1 O ATOM 12404 H1 TIP3 3446 39.589 26.808 47.805 1.00 0.00 WT1 H ATOM 12405 H2 TIP3 3446 39.683 25.462 47.119 1.00 0.00 WT1 H ATOM 12406 OH2 TIP3 3447 31.763 15.190 -8.711 1.00 0.00 WT1 O ATOM 12407 H1 TIP3 3447 32.099 14.615 -9.398 1.00 0.00 WT1 H ATOM 12408 H2 TIP3 3447 30.950 15.545 -9.071 1.00 0.00 WT1 H ATOM 12409 OH2 TIP3 3448 77.532 70.596 10.837 1.00 0.00 WT1 O ATOM 12410 H1 TIP3 3448 77.289 69.747 11.206 1.00 0.00 WT1 H ATOM 12411 H2 TIP3 3448 77.272 70.541 9.917 1.00 0.00 WT1 H ATOM 12412 OH2 TIP3 3449 36.973 77.897 19.071 1.00 0.00 WT1 O ATOM 12413 H1 TIP3 3449 36.116 78.222 19.348 1.00 0.00 WT1 H ATOM 12414 H2 TIP3 3449 37.087 77.078 19.553 1.00 0.00 WT1 H ATOM 12415 OH2 TIP3 3450 48.712 64.951 -5.930 1.00 0.00 WT1 O ATOM 12416 H1 TIP3 3450 47.864 64.591 -6.193 1.00 0.00 WT1 H ATOM 12417 H2 TIP3 3450 48.494 65.734 -5.424 1.00 0.00 WT1 H ATOM 12418 OH2 TIP3 3451 33.004 54.249 -8.860 1.00 0.00 WT1 O ATOM 12419 H1 TIP3 3451 32.919 55.027 -8.310 1.00 0.00 WT1 H ATOM 12420 H2 TIP3 3451 32.872 54.570 -9.752 1.00 0.00 WT1 H ATOM 12421 OH2 TIP3 3452 52.650 51.161 0.361 1.00 0.00 WT1 O ATOM 12422 H1 TIP3 3452 53.560 50.865 0.341 1.00 0.00 WT1 H ATOM 12423 H2 TIP3 3452 52.520 51.478 1.255 1.00 0.00 WT1 H ATOM 12424 OH2 TIP3 3456 52.846 73.984 45.905 1.00 0.00 WT1 O ATOM 12425 H1 TIP3 3456 52.822 73.365 45.176 1.00 0.00 WT1 H ATOM 12426 H2 TIP3 3456 52.551 73.477 46.661 1.00 0.00 WT1 H ATOM 12427 OH2 TIP3 3459 87.404 27.507 47.213 1.00 0.00 WT1 O ATOM 12428 H1 TIP3 3459 88.153 28.101 47.268 1.00 0.00 WT1 H ATOM 12429 H2 TIP3 3459 87.459 26.977 48.008 1.00 0.00 WT1 H ATOM 12430 OH2 TIP3 3460 63.480 68.337 24.180 1.00 0.00 WT1 O ATOM 12431 H1 TIP3 3460 63.075 67.618 23.695 1.00 0.00 WT1 H ATOM 12432 H2 TIP3 3460 62.851 68.543 24.872 1.00 0.00 WT1 H ATOM 12433 OH2 TIP3 3461 34.733 40.769 -4.265 1.00 0.00 WT1 O ATOM 12434 H1 TIP3 3461 33.866 41.161 -4.159 1.00 0.00 WT1 H ATOM 12435 H2 TIP3 3461 35.089 41.183 -5.051 1.00 0.00 WT1 H ATOM 12436 OH2 TIP3 3462 57.772 13.443 14.035 1.00 0.00 WT1 O ATOM 12437 H1 TIP3 3462 56.901 13.529 14.422 1.00 0.00 WT1 H ATOM 12438 H2 TIP3 3462 57.929 12.499 14.004 1.00 0.00 WT1 H ATOM 12439 OH2 TIP3 3465 50.051 40.381 65.674 1.00 0.00 WT1 O ATOM 12440 H1 TIP3 3465 49.242 40.881 65.566 1.00 0.00 WT1 H ATOM 12441 H2 TIP3 3465 50.567 40.892 66.298 1.00 0.00 WT1 H ATOM 12442 OH2 TIP3 3466 34.804 86.364 48.054 1.00 0.00 WT1 O ATOM 12443 H1 TIP3 3466 34.774 86.812 48.900 1.00 0.00 WT1 H ATOM 12444 H2 TIP3 3466 33.896 86.116 47.881 1.00 0.00 WT1 H ATOM 12445 OH2 TIP3 3467 43.242 19.521 -14.942 1.00 0.00 WT1 O ATOM 12446 H1 TIP3 3467 42.920 19.419 -14.046 1.00 0.00 WT1 H ATOM 12447 H2 TIP3 3467 43.394 18.626 -15.245 1.00 0.00 WT1 H ATOM 12448 OH2 TIP3 3468 85.227 79.123 -16.461 1.00 0.00 WT1 O ATOM 12449 H1 TIP3 3468 85.396 79.200 -15.522 1.00 0.00 WT1 H ATOM 12450 H2 TIP3 3468 85.196 78.180 -16.623 1.00 0.00 WT1 H ATOM 12451 OH2 TIP3 3469 56.026 61.438 66.032 1.00 0.00 WT1 O ATOM 12452 H1 TIP3 3469 55.326 61.215 65.418 1.00 0.00 WT1 H ATOM 12453 H2 TIP3 3469 56.816 61.063 65.641 1.00 0.00 WT1 H ATOM 12454 OH2 TIP3 3470 43.326 45.031 57.075 1.00 0.00 WT1 O ATOM 12455 H1 TIP3 3470 43.860 45.354 57.801 1.00 0.00 WT1 H ATOM 12456 H2 TIP3 3470 43.923 45.015 56.327 1.00 0.00 WT1 H ATOM 12457 OH2 TIP3 3471 41.644 66.685 -14.495 1.00 0.00 WT1 O ATOM 12458 H1 TIP3 3471 41.802 66.098 -15.235 1.00 0.00 WT1 H ATOM 12459 H2 TIP3 3471 41.023 66.211 -13.941 1.00 0.00 WT1 H ATOM 12460 OH2 TIP3 3472 69.561 31.587 -12.986 1.00 0.00 WT1 O ATOM 12461 H1 TIP3 3472 69.723 32.526 -12.895 1.00 0.00 WT1 H ATOM 12462 H2 TIP3 3472 70.394 31.228 -13.291 1.00 0.00 WT1 H ATOM 12463 OH2 TIP3 3473 37.063 48.289 -10.428 1.00 0.00 WT1 O ATOM 12464 H1 TIP3 3473 37.944 48.506 -10.123 1.00 0.00 WT1 H ATOM 12465 H2 TIP3 3473 37.173 48.089 -11.357 1.00 0.00 WT1 H ATOM 12466 OH2 TIP3 3474 26.051 24.265 30.631 1.00 0.00 WT1 O ATOM 12467 H1 TIP3 3474 25.435 24.292 29.899 1.00 0.00 WT1 H ATOM 12468 H2 TIP3 3474 26.238 25.185 30.821 1.00 0.00 WT1 H ATOM 12469 OH2 TIP3 3475 55.546 55.103 11.876 1.00 0.00 WT1 O ATOM 12470 H1 TIP3 3475 56.112 55.415 12.582 1.00 0.00 WT1 H ATOM 12471 H2 TIP3 3475 54.697 55.508 12.051 1.00 0.00 WT1 H ATOM 12472 OH2 TIP3 3476 28.549 4.914 -13.314 1.00 0.00 WT1 O ATOM 12473 H1 TIP3 3476 28.838 5.037 -14.218 1.00 0.00 WT1 H ATOM 12474 H2 TIP3 3476 28.330 5.794 -13.010 1.00 0.00 WT1 H ATOM 12475 OH2 TIP3 3481 39.097 33.908 -2.848 1.00 0.00 WT1 O ATOM 12476 H1 TIP3 3481 39.577 33.584 -2.086 1.00 0.00 WT1 H ATOM 12477 H2 TIP3 3481 38.271 34.234 -2.492 1.00 0.00 WT1 H ATOM 12478 OH2 TIP3 3482 31.080 27.957 16.432 1.00 0.00 WT1 O ATOM 12479 H1 TIP3 3482 30.755 27.481 15.667 1.00 0.00 WT1 H ATOM 12480 H2 TIP3 3482 31.243 28.844 16.110 1.00 0.00 WT1 H ATOM 12481 OH2 TIP3 3483 30.619 62.134 43.128 1.00 0.00 WT1 O ATOM 12482 H1 TIP3 3483 31.232 62.181 42.394 1.00 0.00 WT1 H ATOM 12483 H2 TIP3 3483 31.154 61.854 43.871 1.00 0.00 WT1 H ATOM 12484 OH2 TIP3 3484 67.943 73.109 20.946 1.00 0.00 WT1 O ATOM 12485 H1 TIP3 3484 67.433 73.401 20.191 1.00 0.00 WT1 H ATOM 12486 H2 TIP3 3484 67.609 72.233 21.139 1.00 0.00 WT1 H ATOM 12487 OH2 TIP3 3485 79.163 56.028 35.002 1.00 0.00 WT1 O ATOM 12488 H1 TIP3 3485 78.367 55.919 34.481 1.00 0.00 WT1 H ATOM 12489 H2 TIP3 3485 79.307 56.974 35.026 1.00 0.00 WT1 H ATOM 12490 OH2 TIP3 3486 54.686 23.693 -16.935 1.00 0.00 WT1 O ATOM 12491 H1 TIP3 3486 54.087 23.665 -16.189 1.00 0.00 WT1 H ATOM 12492 H2 TIP3 3486 54.471 24.510 -17.385 1.00 0.00 WT1 H ATOM 12493 OH2 TIP3 3487 20.783 46.533 -17.481 1.00 0.00 WT1 O ATOM 12494 H1 TIP3 3487 20.205 46.498 -18.244 1.00 0.00 WT1 H ATOM 12495 H2 TIP3 3487 21.494 47.117 -17.746 1.00 0.00 WT1 H ATOM 12496 OH2 TIP3 3488 46.283 58.106 -10.736 1.00 0.00 WT1 O ATOM 12497 H1 TIP3 3488 45.628 58.595 -10.238 1.00 0.00 WT1 H ATOM 12498 H2 TIP3 3488 46.689 58.760 -11.305 1.00 0.00 WT1 H ATOM 12499 OH2 TIP3 3489 53.372 63.124 54.526 1.00 0.00 WT1 O ATOM 12500 H1 TIP3 3489 52.758 63.228 53.799 1.00 0.00 WT1 H ATOM 12501 H2 TIP3 3489 54.211 62.936 54.107 1.00 0.00 WT1 H ATOM 12502 OH2 TIP3 3490 85.974 91.003 50.848 1.00 0.00 WT1 O ATOM 12503 H1 TIP3 3490 86.279 90.561 50.056 1.00 0.00 WT1 H ATOM 12504 H2 TIP3 3490 85.225 90.484 51.139 1.00 0.00 WT1 H ATOM 12505 OH2 TIP3 3491 26.129 51.174 4.209 1.00 0.00 WT1 O ATOM 12506 H1 TIP3 3491 25.573 50.691 3.597 1.00 0.00 WT1 H ATOM 12507 H2 TIP3 3491 26.679 50.504 4.614 1.00 0.00 WT1 H ATOM 12508 OH2 TIP3 3492 47.240 1.642 53.664 1.00 0.00 WT1 O ATOM 12509 H1 TIP3 3492 48.088 1.715 53.226 1.00 0.00 WT1 H ATOM 12510 H2 TIP3 3492 47.455 1.388 54.562 1.00 0.00 WT1 H ATOM 12511 OH2 TIP3 3494 48.910 56.969 -10.206 1.00 0.00 WT1 O ATOM 12512 H1 TIP3 3494 49.356 56.935 -11.052 1.00 0.00 WT1 H ATOM 12513 H2 TIP3 3494 48.010 57.215 -10.418 1.00 0.00 WT1 H ATOM 12514 OH2 TIP3 3495 51.085 69.642 -12.842 1.00 0.00 WT1 O ATOM 12515 H1 TIP3 3495 51.833 70.224 -12.978 1.00 0.00 WT1 H ATOM 12516 H2 TIP3 3495 51.365 69.049 -12.144 1.00 0.00 WT1 H ATOM 12517 OH2 TIP3 3496 49.204 84.530 17.496 1.00 0.00 WT1 O ATOM 12518 H1 TIP3 3496 49.905 83.892 17.628 1.00 0.00 WT1 H ATOM 12519 H2 TIP3 3496 49.563 85.353 17.830 1.00 0.00 WT1 H ATOM 12520 OH2 TIP3 3497 39.125 78.818 0.388 1.00 0.00 WT1 O ATOM 12521 H1 TIP3 3497 39.067 79.683 0.794 1.00 0.00 WT1 H ATOM 12522 H2 TIP3 3497 39.894 78.869 -0.179 1.00 0.00 WT1 H ATOM 12523 OH2 TIP3 3501 53.268 41.661 23.518 1.00 0.00 WT1 O ATOM 12524 H1 TIP3 3501 54.080 42.161 23.601 1.00 0.00 WT1 H ATOM 12525 H2 TIP3 3501 53.299 41.299 22.632 1.00 0.00 WT1 H ATOM 12526 OH2 TIP3 3502 79.323 71.092 26.618 1.00 0.00 WT1 O ATOM 12527 H1 TIP3 3502 78.389 71.295 26.669 1.00 0.00 WT1 H ATOM 12528 H2 TIP3 3502 79.399 70.499 25.870 1.00 0.00 WT1 H ATOM 12529 OH2 TIP3 3504 24.340 70.479 28.341 1.00 0.00 WT1 O ATOM 12530 H1 TIP3 3504 23.413 70.712 28.307 1.00 0.00 WT1 H ATOM 12531 H2 TIP3 3504 24.746 71.010 27.655 1.00 0.00 WT1 H ATOM 12532 OH2 TIP3 3506 71.330 79.990 31.100 1.00 0.00 WT1 O ATOM 12533 H1 TIP3 3506 71.137 80.629 31.786 1.00 0.00 WT1 H ATOM 12534 H2 TIP3 3506 71.941 79.377 31.508 1.00 0.00 WT1 H ATOM 12535 OH2 TIP3 3507 80.089 9.066 6.813 1.00 0.00 WT1 O ATOM 12536 H1 TIP3 3507 81.046 9.105 6.805 1.00 0.00 WT1 H ATOM 12537 H2 TIP3 3507 79.885 8.311 7.364 1.00 0.00 WT1 H ATOM 12538 OH2 TIP3 3508 29.653 41.764 0.078 1.00 0.00 WT1 O ATOM 12539 H1 TIP3 3508 29.305 41.699 -0.811 1.00 0.00 WT1 H ATOM 12540 H2 TIP3 3508 30.300 41.061 0.135 1.00 0.00 WT1 H ATOM 12541 OH2 TIP3 3509 51.018 60.224 54.847 1.00 0.00 WT1 O ATOM 12542 H1 TIP3 3509 50.325 59.624 55.122 1.00 0.00 WT1 H ATOM 12543 H2 TIP3 3509 51.265 59.920 53.974 1.00 0.00 WT1 H ATOM 12544 OH2 TIP3 3510 56.368 56.862 17.314 1.00 0.00 WT1 O ATOM 12545 H1 TIP3 3510 55.521 56.630 17.697 1.00 0.00 WT1 H ATOM 12546 H2 TIP3 3510 56.177 57.604 16.741 1.00 0.00 WT1 H ATOM 12547 OH2 TIP3 3511 53.752 78.666 -17.510 1.00 0.00 WT1 O ATOM 12548 H1 TIP3 3511 54.345 79.188 -16.969 1.00 0.00 WT1 H ATOM 12549 H2 TIP3 3511 53.187 78.217 -16.882 1.00 0.00 WT1 H ATOM 12550 OH2 TIP3 3512 75.861 51.459 -9.653 1.00 0.00 WT1 O ATOM 12551 H1 TIP3 3512 75.488 52.204 -9.181 1.00 0.00 WT1 H ATOM 12552 H2 TIP3 3512 75.458 51.498 -10.520 1.00 0.00 WT1 H ATOM 12553 OH2 TIP3 3513 49.503 79.071 0.756 1.00 0.00 WT1 O ATOM 12554 H1 TIP3 3513 49.035 78.430 1.290 1.00 0.00 WT1 H ATOM 12555 H2 TIP3 3513 50.224 79.367 1.312 1.00 0.00 WT1 H ATOM 12556 OH2 TIP3 3514 88.846 11.528 -6.381 1.00 0.00 WT1 O ATOM 12557 H1 TIP3 3514 89.480 12.236 -6.267 1.00 0.00 WT1 H ATOM 12558 H2 TIP3 3514 88.142 11.917 -6.900 1.00 0.00 WT1 H ATOM 12559 OH2 TIP3 3515 59.494 40.317 -7.103 1.00 0.00 WT1 O ATOM 12560 H1 TIP3 3515 59.286 41.242 -6.977 1.00 0.00 WT1 H ATOM 12561 H2 TIP3 3515 59.594 39.970 -6.217 1.00 0.00 WT1 H ATOM 12562 OH2 TIP3 3516 47.264 52.811 -0.115 1.00 0.00 WT1 O ATOM 12563 H1 TIP3 3516 47.998 53.425 -0.115 1.00 0.00 WT1 H ATOM 12564 H2 TIP3 3516 47.072 52.666 0.812 1.00 0.00 WT1 H ATOM 12565 OH2 TIP3 3517 81.003 91.295 10.425 1.00 0.00 WT1 O ATOM 12566 H1 TIP3 3517 81.054 90.425 10.819 1.00 0.00 WT1 H ATOM 12567 H2 TIP3 3517 80.065 91.458 10.326 1.00 0.00 WT1 H ATOM 12568 OH2 TIP3 3518 30.704 47.814 18.811 1.00 0.00 WT1 O ATOM 12569 H1 TIP3 3518 31.606 47.582 18.589 1.00 0.00 WT1 H ATOM 12570 H2 TIP3 3518 30.287 47.993 17.969 1.00 0.00 WT1 H ATOM 12571 OH2 TIP3 3519 83.333 53.572 43.938 1.00 0.00 WT1 O ATOM 12572 H1 TIP3 3519 82.649 53.890 44.527 1.00 0.00 WT1 H ATOM 12573 H2 TIP3 3519 84.102 54.098 44.157 1.00 0.00 WT1 H ATOM 12574 OH2 TIP3 3520 33.504 74.163 52.632 1.00 0.00 WT1 O ATOM 12575 H1 TIP3 3520 33.716 74.036 51.707 1.00 0.00 WT1 H ATOM 12576 H2 TIP3 3520 32.552 74.073 52.674 1.00 0.00 WT1 H ATOM 12577 OH2 TIP3 3521 70.485 51.315 8.284 1.00 0.00 WT1 O ATOM 12578 H1 TIP3 3521 70.158 50.693 8.934 1.00 0.00 WT1 H ATOM 12579 H2 TIP3 3521 69.699 51.642 7.848 1.00 0.00 WT1 H ATOM 12580 OH2 TIP3 3522 50.743 86.443 31.670 1.00 0.00 WT1 O ATOM 12581 H1 TIP3 3522 50.455 85.929 32.425 1.00 0.00 WT1 H ATOM 12582 H2 TIP3 3522 49.941 86.613 31.176 1.00 0.00 WT1 H ATOM 12583 OH2 TIP3 3523 53.742 20.586 29.079 1.00 0.00 WT1 O ATOM 12584 H1 TIP3 3523 53.885 21.291 28.447 1.00 0.00 WT1 H ATOM 12585 H2 TIP3 3523 53.152 19.979 28.631 1.00 0.00 WT1 H ATOM 12586 OH2 TIP3 3524 41.245 66.616 -7.984 1.00 0.00 WT1 O ATOM 12587 H1 TIP3 3524 41.565 67.481 -7.728 1.00 0.00 WT1 H ATOM 12588 H2 TIP3 3524 41.731 66.006 -7.429 1.00 0.00 WT1 H ATOM 12589 OH2 TIP3 3526 33.955 10.290 19.392 1.00 0.00 WT1 O ATOM 12590 H1 TIP3 3526 34.620 10.802 19.853 1.00 0.00 WT1 H ATOM 12591 H2 TIP3 3526 33.742 10.814 18.620 1.00 0.00 WT1 H ATOM 12592 OH2 TIP3 3527 69.392 15.125 56.425 1.00 0.00 WT1 O ATOM 12593 H1 TIP3 3527 69.575 16.023 56.148 1.00 0.00 WT1 H ATOM 12594 H2 TIP3 3527 69.882 14.579 55.810 1.00 0.00 WT1 H ATOM 12595 OH2 TIP3 3528 81.002 58.611 19.925 1.00 0.00 WT1 O ATOM 12596 H1 TIP3 3528 80.337 59.194 19.559 1.00 0.00 WT1 H ATOM 12597 H2 TIP3 3528 81.076 58.876 20.841 1.00 0.00 WT1 H ATOM 12598 OH2 TIP3 3529 71.310 28.224 5.172 1.00 0.00 WT1 O ATOM 12599 H1 TIP3 3529 71.692 27.813 4.396 1.00 0.00 WT1 H ATOM 12600 H2 TIP3 3529 71.006 29.079 4.867 1.00 0.00 WT1 H ATOM 12601 OH2 TIP3 3530 43.626 7.980 41.244 1.00 0.00 WT1 O ATOM 12602 H1 TIP3 3530 44.413 7.662 41.686 1.00 0.00 WT1 H ATOM 12603 H2 TIP3 3530 43.754 7.743 40.325 1.00 0.00 WT1 H ATOM 12604 OH2 TIP3 3531 50.039 84.523 45.704 1.00 0.00 WT1 O ATOM 12605 H1 TIP3 3531 49.649 84.274 44.865 1.00 0.00 WT1 H ATOM 12606 H2 TIP3 3531 50.924 84.811 45.480 1.00 0.00 WT1 H ATOM 12607 OH2 TIP3 3533 62.194 1.827 53.352 1.00 0.00 WT1 O ATOM 12608 H1 TIP3 3533 61.840 1.346 54.100 1.00 0.00 WT1 H ATOM 12609 H2 TIP3 3533 61.949 2.738 53.515 1.00 0.00 WT1 H ATOM 12610 OH2 TIP3 3534 64.071 73.302 -3.497 1.00 0.00 WT1 O ATOM 12611 H1 TIP3 3534 63.642 73.811 -2.809 1.00 0.00 WT1 H ATOM 12612 H2 TIP3 3534 63.355 72.852 -3.945 1.00 0.00 WT1 H ATOM 12613 OH2 TIP3 3535 46.661 93.394 15.217 1.00 0.00 WT1 O ATOM 12614 H1 TIP3 3535 47.273 93.734 15.870 1.00 0.00 WT1 H ATOM 12615 H2 TIP3 3535 46.382 92.548 15.567 1.00 0.00 WT1 H ATOM 12616 OH2 TIP3 3536 66.254 83.905 -15.177 1.00 0.00 WT1 O ATOM 12617 H1 TIP3 3536 66.053 83.734 -16.097 1.00 0.00 WT1 H ATOM 12618 H2 TIP3 3536 67.165 83.628 -15.075 1.00 0.00 WT1 H ATOM 12619 OH2 TIP3 3537 22.983 6.443 10.763 1.00 0.00 WT1 O ATOM 12620 H1 TIP3 3537 22.709 7.358 10.826 1.00 0.00 WT1 H ATOM 12621 H2 TIP3 3537 23.846 6.479 10.350 1.00 0.00 WT1 H ATOM 12622 OH2 TIP3 3538 27.185 74.154 5.276 1.00 0.00 WT1 O ATOM 12623 H1 TIP3 3538 26.813 75.028 5.395 1.00 0.00 WT1 H ATOM 12624 H2 TIP3 3538 27.842 74.076 5.968 1.00 0.00 WT1 H ATOM 12625 OH2 TIP3 3539 49.776 60.558 -0.533 1.00 0.00 WT1 O ATOM 12626 H1 TIP3 3539 50.492 61.164 -0.344 1.00 0.00 WT1 H ATOM 12627 H2 TIP3 3539 50.078 59.716 -0.195 1.00 0.00 WT1 H ATOM 12628 OH2 TIP3 3543 24.266 50.901 27.624 1.00 0.00 WT1 O ATOM 12629 H1 TIP3 3543 24.967 50.806 26.979 1.00 0.00 WT1 H ATOM 12630 H2 TIP3 3543 23.728 50.118 27.510 1.00 0.00 WT1 H ATOM 12631 OH2 TIP3 3544 51.681 78.461 27.172 1.00 0.00 WT1 O ATOM 12632 H1 TIP3 3544 51.347 77.764 26.608 1.00 0.00 WT1 H ATOM 12633 H2 TIP3 3544 52.328 78.030 27.730 1.00 0.00 WT1 H ATOM 12634 OH2 TIP3 3545 70.040 61.073 63.631 1.00 0.00 WT1 O ATOM 12635 H1 TIP3 3545 69.128 60.995 63.350 1.00 0.00 WT1 H ATOM 12636 H2 TIP3 3545 70.019 60.876 64.568 1.00 0.00 WT1 H ATOM 12637 OH2 TIP3 3546 48.651 95.734 59.452 1.00 0.00 WT1 O ATOM 12638 H1 TIP3 3546 49.167 96.178 58.779 1.00 0.00 WT1 H ATOM 12639 H2 TIP3 3546 47.911 95.357 58.977 1.00 0.00 WT1 H ATOM 12640 OH2 TIP3 3548 24.691 28.290 52.376 1.00 0.00 WT1 O ATOM 12641 H1 TIP3 3548 24.788 28.257 53.327 1.00 0.00 WT1 H ATOM 12642 H2 TIP3 3548 23.867 28.757 52.235 1.00 0.00 WT1 H ATOM 12643 OH2 TIP3 3549 28.563 17.180 39.556 1.00 0.00 WT1 O ATOM 12644 H1 TIP3 3549 29.228 16.550 39.831 1.00 0.00 WT1 H ATOM 12645 H2 TIP3 3549 29.059 17.889 39.147 1.00 0.00 WT1 H ATOM 12646 OH2 TIP3 3550 45.001 45.235 42.388 1.00 0.00 WT1 O ATOM 12647 H1 TIP3 3550 44.179 44.749 42.323 1.00 0.00 WT1 H ATOM 12648 H2 TIP3 3550 44.787 46.113 42.070 1.00 0.00 WT1 H ATOM 12649 OH2 TIP3 3551 21.445 89.385 59.865 1.00 0.00 WT1 O ATOM 12650 H1 TIP3 3551 20.648 88.896 60.069 1.00 0.00 WT1 H ATOM 12651 H2 TIP3 3551 21.134 90.192 59.455 1.00 0.00 WT1 H ATOM 12652 OH2 TIP3 3552 34.175 75.929 -0.374 1.00 0.00 WT1 O ATOM 12653 H1 TIP3 3552 35.013 76.305 -0.641 1.00 0.00 WT1 H ATOM 12654 H2 TIP3 3552 33.964 75.298 -1.062 1.00 0.00 WT1 H ATOM 12655 OH2 TIP3 3554 57.289 23.328 5.040 1.00 0.00 WT1 O ATOM 12656 H1 TIP3 3554 57.603 24.232 5.037 1.00 0.00 WT1 H ATOM 12657 H2 TIP3 3554 57.312 23.069 5.961 1.00 0.00 WT1 H ATOM 12658 OH2 TIP3 3555 44.827 75.276 -14.773 1.00 0.00 WT1 O ATOM 12659 H1 TIP3 3555 44.191 75.820 -15.239 1.00 0.00 WT1 H ATOM 12660 H2 TIP3 3555 44.430 74.406 -14.754 1.00 0.00 WT1 H ATOM 12661 OH2 TIP3 3556 68.470 75.054 1.818 1.00 0.00 WT1 O ATOM 12662 H1 TIP3 3556 68.455 74.104 1.928 1.00 0.00 WT1 H ATOM 12663 H2 TIP3 3556 67.613 75.346 2.130 1.00 0.00 WT1 H ATOM 12664 OH2 TIP3 3557 90.470 23.606 -11.898 1.00 0.00 WT1 O ATOM 12665 H1 TIP3 3557 89.703 23.958 -12.349 1.00 0.00 WT1 H ATOM 12666 H2 TIP3 3557 91.135 24.288 -11.988 1.00 0.00 WT1 H ATOM 12667 OH2 TIP3 3558 72.814 32.023 15.034 1.00 0.00 WT1 O ATOM 12668 H1 TIP3 3558 72.556 32.595 14.311 1.00 0.00 WT1 H ATOM 12669 H2 TIP3 3558 72.069 31.433 15.151 1.00 0.00 WT1 H ATOM 12670 OH2 TIP3 3559 45.374 43.066 60.615 1.00 0.00 WT1 O ATOM 12671 H1 TIP3 3559 45.220 42.122 60.650 1.00 0.00 WT1 H ATOM 12672 H2 TIP3 3559 44.665 43.405 60.068 1.00 0.00 WT1 H ATOM 12673 OH2 TIP3 3560 39.975 14.244 54.177 1.00 0.00 WT1 O ATOM 12674 H1 TIP3 3560 40.551 14.581 54.863 1.00 0.00 WT1 H ATOM 12675 H2 TIP3 3560 39.093 14.463 54.475 1.00 0.00 WT1 H ATOM 12676 OH2 TIP3 3561 32.587 5.678 -3.318 1.00 0.00 WT1 O ATOM 12677 H1 TIP3 3561 32.561 5.948 -2.400 1.00 0.00 WT1 H ATOM 12678 H2 TIP3 3561 31.824 6.101 -3.714 1.00 0.00 WT1 H ATOM 12679 OH2 TIP3 3562 25.560 18.513 56.998 1.00 0.00 WT1 O ATOM 12680 H1 TIP3 3562 24.837 18.309 56.405 1.00 0.00 WT1 H ATOM 12681 H2 TIP3 3562 26.345 18.442 56.454 1.00 0.00 WT1 H ATOM 12682 OH2 TIP3 3563 48.909 4.436 47.377 1.00 0.00 WT1 O ATOM 12683 H1 TIP3 3563 48.286 3.873 47.837 1.00 0.00 WT1 H ATOM 12684 H2 TIP3 3563 49.557 3.832 47.015 1.00 0.00 WT1 H ATOM 12685 OH2 TIP3 3564 67.200 79.363 17.961 1.00 0.00 WT1 O ATOM 12686 H1 TIP3 3564 67.708 79.935 17.386 1.00 0.00 WT1 H ATOM 12687 H2 TIP3 3564 67.751 78.588 18.077 1.00 0.00 WT1 H ATOM 12688 OH2 TIP3 3566 70.358 28.902 41.718 1.00 0.00 WT1 O ATOM 12689 H1 TIP3 3566 69.570 28.373 41.596 1.00 0.00 WT1 H ATOM 12690 H2 TIP3 3566 70.307 29.570 41.034 1.00 0.00 WT1 H ATOM 12691 OH2 TIP3 3567 59.356 81.276 -18.031 1.00 0.00 WT1 O ATOM 12692 H1 TIP3 3567 59.111 81.715 -18.846 1.00 0.00 WT1 H ATOM 12693 H2 TIP3 3567 58.575 80.783 -17.780 1.00 0.00 WT1 H ATOM 12694 OH2 TIP3 3568 25.634 82.543 32.108 1.00 0.00 WT1 O ATOM 12695 H1 TIP3 3568 25.594 81.598 31.958 1.00 0.00 WT1 H ATOM 12696 H2 TIP3 3568 24.727 82.796 32.283 1.00 0.00 WT1 H ATOM 12697 OH2 TIP3 3569 69.762 30.299 27.267 1.00 0.00 WT1 O ATOM 12698 H1 TIP3 3569 70.257 29.659 26.756 1.00 0.00 WT1 H ATOM 12699 H2 TIP3 3569 69.266 29.772 27.894 1.00 0.00 WT1 H ATOM 12700 OH2 TIP3 3570 44.237 91.104 53.427 1.00 0.00 WT1 O ATOM 12701 H1 TIP3 3570 44.346 90.712 52.560 1.00 0.00 WT1 H ATOM 12702 H2 TIP3 3570 43.417 90.735 53.755 1.00 0.00 WT1 H ATOM 12703 OH2 TIP3 3571 52.213 38.790 -9.667 1.00 0.00 WT1 O ATOM 12704 H1 TIP3 3571 51.906 37.895 -9.521 1.00 0.00 WT1 H ATOM 12705 H2 TIP3 3571 52.034 39.243 -8.843 1.00 0.00 WT1 H ATOM 12706 OH2 TIP3 3572 52.581 30.232 34.597 1.00 0.00 WT1 O ATOM 12707 H1 TIP3 3572 52.052 30.968 34.288 1.00 0.00 WT1 H ATOM 12708 H2 TIP3 3572 52.179 29.980 35.428 1.00 0.00 WT1 H ATOM 12709 OH2 TIP3 3573 66.628 84.929 65.612 1.00 0.00 WT1 O ATOM 12710 H1 TIP3 3573 65.943 84.261 65.575 1.00 0.00 WT1 H ATOM 12711 H2 TIP3 3573 67.432 84.461 65.388 1.00 0.00 WT1 H ATOM 12712 OH2 TIP3 3574 28.546 27.852 -18.784 1.00 0.00 WT1 O ATOM 12713 H1 TIP3 3574 28.135 28.619 -18.387 1.00 0.00 WT1 H ATOM 12714 H2 TIP3 3574 28.205 27.833 -19.678 1.00 0.00 WT1 H ATOM 12715 OH2 TIP3 3575 47.755 76.259 47.166 1.00 0.00 WT1 O ATOM 12716 H1 TIP3 3575 48.143 75.391 47.055 1.00 0.00 WT1 H ATOM 12717 H2 TIP3 3575 46.957 76.234 46.637 1.00 0.00 WT1 H ATOM 12718 OH2 TIP3 3576 62.632 31.451 3.599 1.00 0.00 WT1 O ATOM 12719 H1 TIP3 3576 63.185 31.671 4.350 1.00 0.00 WT1 H ATOM 12720 H2 TIP3 3576 61.941 32.114 3.609 1.00 0.00 WT1 H ATOM 12721 OH2 TIP3 3578 72.165 77.494 -14.834 1.00 0.00 WT1 O ATOM 12722 H1 TIP3 3578 72.495 76.837 -14.221 1.00 0.00 WT1 H ATOM 12723 H2 TIP3 3578 72.107 77.034 -15.671 1.00 0.00 WT1 H ATOM 12724 OH2 TIP3 3579 35.762 64.614 16.200 1.00 0.00 WT1 O ATOM 12725 H1 TIP3 3579 35.502 65.523 16.050 1.00 0.00 WT1 H ATOM 12726 H2 TIP3 3579 36.718 64.625 16.147 1.00 0.00 WT1 H ATOM 12727 OH2 TIP3 3582 20.830 88.546 -17.991 1.00 0.00 WT1 O ATOM 12728 H1 TIP3 3582 20.276 89.285 -18.241 1.00 0.00 WT1 H ATOM 12729 H2 TIP3 3582 21.715 88.814 -18.238 1.00 0.00 WT1 H ATOM 12730 OH2 TIP3 3583 66.350 23.622 29.526 1.00 0.00 WT1 O ATOM 12731 H1 TIP3 3583 66.032 24.085 30.300 1.00 0.00 WT1 H ATOM 12732 H2 TIP3 3583 67.140 24.098 29.270 1.00 0.00 WT1 H ATOM 12733 OH2 TIP3 3585 57.875 22.578 -6.057 1.00 0.00 WT1 O ATOM 12734 H1 TIP3 3585 58.725 22.139 -6.093 1.00 0.00 WT1 H ATOM 12735 H2 TIP3 3585 57.920 23.124 -5.272 1.00 0.00 WT1 H ATOM 12736 OH2 TIP3 3586 86.324 65.235 0.991 1.00 0.00 WT1 O ATOM 12737 H1 TIP3 3586 85.861 65.637 1.726 1.00 0.00 WT1 H ATOM 12738 H2 TIP3 3586 87.176 64.989 1.350 1.00 0.00 WT1 H ATOM 12739 OH2 TIP3 3587 68.610 70.907 39.100 1.00 0.00 WT1 O ATOM 12740 H1 TIP3 3587 69.250 70.196 39.125 1.00 0.00 WT1 H ATOM 12741 H2 TIP3 3587 68.630 71.216 38.195 1.00 0.00 WT1 H ATOM 12742 OH2 TIP3 3588 46.687 1.699 15.118 1.00 0.00 WT1 O ATOM 12743 H1 TIP3 3588 47.514 2.168 15.005 1.00 0.00 WT1 H ATOM 12744 H2 TIP3 3588 46.921 0.914 15.613 1.00 0.00 WT1 H ATOM 12745 OH2 TIP3 3589 53.333 80.078 -7.326 1.00 0.00 WT1 O ATOM 12746 H1 TIP3 3589 54.010 79.498 -6.978 1.00 0.00 WT1 H ATOM 12747 H2 TIP3 3589 53.775 80.919 -7.443 1.00 0.00 WT1 H ATOM 12748 OH2 TIP3 3590 43.117 32.018 62.454 1.00 0.00 WT1 O ATOM 12749 H1 TIP3 3590 42.179 32.066 62.273 1.00 0.00 WT1 H ATOM 12750 H2 TIP3 3590 43.372 32.922 62.641 1.00 0.00 WT1 H ATOM 12751 OH2 TIP3 3591 56.481 39.967 -13.462 1.00 0.00 WT1 O ATOM 12752 H1 TIP3 3591 55.697 39.861 -14.000 1.00 0.00 WT1 H ATOM 12753 H2 TIP3 3591 57.039 39.227 -13.702 1.00 0.00 WT1 H ATOM 12754 OH2 TIP3 3592 89.763 1.511 -17.711 1.00 0.00 WT1 O ATOM 12755 H1 TIP3 3592 89.325 1.800 -18.511 1.00 0.00 WT1 H ATOM 12756 H2 TIP3 3592 89.448 2.109 -17.034 1.00 0.00 WT1 H ATOM 12757 OH2 TIP3 3593 57.226 90.419 52.558 1.00 0.00 WT1 O ATOM 12758 H1 TIP3 3593 56.642 89.683 52.743 1.00 0.00 WT1 H ATOM 12759 H2 TIP3 3593 57.823 90.088 51.887 1.00 0.00 WT1 H ATOM 12760 OH2 TIP3 3594 62.179 79.314 7.868 1.00 0.00 WT1 O ATOM 12761 H1 TIP3 3594 62.287 79.857 8.649 1.00 0.00 WT1 H ATOM 12762 H2 TIP3 3594 62.834 78.623 7.964 1.00 0.00 WT1 H ATOM 12763 OH2 TIP3 3595 64.241 13.581 14.563 1.00 0.00 WT1 O ATOM 12764 H1 TIP3 3595 63.820 14.317 14.118 1.00 0.00 WT1 H ATOM 12765 H2 TIP3 3595 63.594 13.287 15.204 1.00 0.00 WT1 H ATOM 12766 OH2 TIP3 3596 31.282 22.092 -9.828 1.00 0.00 WT1 O ATOM 12767 H1 TIP3 3596 30.378 22.400 -9.760 1.00 0.00 WT1 H ATOM 12768 H2 TIP3 3596 31.738 22.527 -9.107 1.00 0.00 WT1 H ATOM 12769 OH2 TIP3 3597 59.584 88.801 6.575 1.00 0.00 WT1 O ATOM 12770 H1 TIP3 3597 60.446 88.390 6.636 1.00 0.00 WT1 H ATOM 12771 H2 TIP3 3597 59.182 88.643 7.429 1.00 0.00 WT1 H ATOM 12772 OH2 TIP3 3598 21.519 92.579 14.697 1.00 0.00 WT1 O ATOM 12773 H1 TIP3 3598 21.921 91.727 14.868 1.00 0.00 WT1 H ATOM 12774 H2 TIP3 3598 22.069 92.971 14.018 1.00 0.00 WT1 H ATOM 12775 OH2 TIP3 3599 61.093 9.183 -7.027 1.00 0.00 WT1 O ATOM 12776 H1 TIP3 3599 60.731 8.485 -6.480 1.00 0.00 WT1 H ATOM 12777 H2 TIP3 3599 60.557 9.169 -7.820 1.00 0.00 WT1 H ATOM 12778 OH2 TIP3 3602 29.910 90.225 9.787 1.00 0.00 WT1 O ATOM 12779 H1 TIP3 3602 30.220 89.980 10.659 1.00 0.00 WT1 H ATOM 12780 H2 TIP3 3602 29.005 89.913 9.757 1.00 0.00 WT1 H ATOM 12781 OH2 TIP3 3603 47.222 90.132 -14.156 1.00 0.00 WT1 O ATOM 12782 H1 TIP3 3603 46.650 90.716 -13.660 1.00 0.00 WT1 H ATOM 12783 H2 TIP3 3603 47.499 90.650 -14.911 1.00 0.00 WT1 H ATOM 12784 OH2 TIP3 3604 86.754 90.428 11.892 1.00 0.00 WT1 O ATOM 12785 H1 TIP3 3604 85.946 90.824 11.565 1.00 0.00 WT1 H ATOM 12786 H2 TIP3 3604 87.398 91.135 11.861 1.00 0.00 WT1 H ATOM 12787 OH2 TIP3 3606 69.660 76.281 46.568 1.00 0.00 WT1 O ATOM 12788 H1 TIP3 3606 69.497 75.930 45.692 1.00 0.00 WT1 H ATOM 12789 H2 TIP3 3606 70.611 76.249 46.666 1.00 0.00 WT1 H ATOM 12790 OH2 TIP3 3607 32.279 61.446 29.194 1.00 0.00 WT1 O ATOM 12791 H1 TIP3 3607 32.945 60.964 29.684 1.00 0.00 WT1 H ATOM 12792 H2 TIP3 3607 32.496 62.368 29.336 1.00 0.00 WT1 H ATOM 12793 OH2 TIP3 3608 40.166 91.183 37.429 1.00 0.00 WT1 O ATOM 12794 H1 TIP3 3608 39.404 90.853 37.903 1.00 0.00 WT1 H ATOM 12795 H2 TIP3 3608 40.906 90.699 37.796 1.00 0.00 WT1 H ATOM 12796 OH2 TIP3 3609 68.890 7.324 23.787 1.00 0.00 WT1 O ATOM 12797 H1 TIP3 3609 69.792 7.644 23.779 1.00 0.00 WT1 H ATOM 12798 H2 TIP3 3609 68.657 7.241 22.862 1.00 0.00 WT1 H ATOM 12799 OH2 TIP3 3610 63.012 53.808 0.891 1.00 0.00 WT1 O ATOM 12800 H1 TIP3 3610 62.528 53.569 1.682 1.00 0.00 WT1 H ATOM 12801 H2 TIP3 3610 63.779 53.235 0.897 1.00 0.00 WT1 H ATOM 12802 OH2 TIP3 3611 29.229 44.468 30.682 1.00 0.00 WT1 O ATOM 12803 H1 TIP3 3611 29.098 44.889 29.832 1.00 0.00 WT1 H ATOM 12804 H2 TIP3 3611 30.165 44.570 30.857 1.00 0.00 WT1 H ATOM 12805 OH2 TIP3 3612 45.931 13.156 36.937 1.00 0.00 WT1 O ATOM 12806 H1 TIP3 3612 46.126 14.077 36.765 1.00 0.00 WT1 H ATOM 12807 H2 TIP3 3612 46.636 12.866 37.516 1.00 0.00 WT1 H ATOM 12808 OH2 TIP3 3613 23.065 66.977 56.851 1.00 0.00 WT1 O ATOM 12809 H1 TIP3 3613 22.608 67.340 57.610 1.00 0.00 WT1 H ATOM 12810 H2 TIP3 3613 22.749 67.494 56.110 1.00 0.00 WT1 H ATOM 12811 OH2 TIP3 3614 84.526 25.413 2.406 1.00 0.00 WT1 O ATOM 12812 H1 TIP3 3614 84.088 24.760 1.861 1.00 0.00 WT1 H ATOM 12813 H2 TIP3 3614 85.460 25.246 2.279 1.00 0.00 WT1 H ATOM 12814 OH2 TIP3 3615 39.554 46.540 5.147 1.00 0.00 WT1 O ATOM 12815 H1 TIP3 3615 38.750 46.746 5.624 1.00 0.00 WT1 H ATOM 12816 H2 TIP3 3615 39.980 45.866 5.676 1.00 0.00 WT1 H ATOM 12817 OH2 TIP3 3616 64.064 77.350 15.480 1.00 0.00 WT1 O ATOM 12818 H1 TIP3 3616 63.732 78.218 15.707 1.00 0.00 WT1 H ATOM 12819 H2 TIP3 3616 63.415 76.744 15.838 1.00 0.00 WT1 H ATOM 12820 OH2 TIP3 3618 32.949 5.775 2.415 1.00 0.00 WT1 O ATOM 12821 H1 TIP3 3618 32.283 6.035 1.778 1.00 0.00 WT1 H ATOM 12822 H2 TIP3 3618 33.724 5.583 1.886 1.00 0.00 WT1 H ATOM 12823 OH2 TIP3 3619 83.491 4.160 -12.117 1.00 0.00 WT1 O ATOM 12824 H1 TIP3 3619 84.247 3.573 -12.087 1.00 0.00 WT1 H ATOM 12825 H2 TIP3 3619 83.577 4.620 -12.952 1.00 0.00 WT1 H ATOM 12826 OH2 TIP3 3620 67.711 56.846 6.148 1.00 0.00 WT1 O ATOM 12827 H1 TIP3 3620 68.219 57.588 6.478 1.00 0.00 WT1 H ATOM 12828 H2 TIP3 3620 67.765 56.190 6.843 1.00 0.00 WT1 H ATOM 12829 OH2 TIP3 3621 29.061 96.174 36.591 1.00 0.00 WT1 O ATOM 12830 H1 TIP3 3621 29.054 95.841 35.694 1.00 0.00 WT1 H ATOM 12831 H2 TIP3 3621 29.783 96.802 36.610 1.00 0.00 WT1 H ATOM 12832 OH2 TIP3 3622 37.427 53.437 8.105 1.00 0.00 WT1 O ATOM 12833 H1 TIP3 3622 37.310 52.512 7.888 1.00 0.00 WT1 H ATOM 12834 H2 TIP3 3622 38.324 53.494 8.434 1.00 0.00 WT1 H ATOM 12835 OH2 TIP3 3623 67.145 66.678 64.237 1.00 0.00 WT1 O ATOM 12836 H1 TIP3 3623 67.909 66.388 63.738 1.00 0.00 WT1 H ATOM 12837 H2 TIP3 3623 66.763 67.377 63.707 1.00 0.00 WT1 H ATOM 12838 OH2 TIP3 3626 40.399 44.895 7.290 1.00 0.00 WT1 O ATOM 12839 H1 TIP3 3626 40.260 45.835 7.404 1.00 0.00 WT1 H ATOM 12840 H2 TIP3 3626 39.883 44.490 7.987 1.00 0.00 WT1 H ATOM 12841 OH2 TIP3 3627 48.606 38.596 12.736 1.00 0.00 WT1 O ATOM 12842 H1 TIP3 3627 47.934 37.914 12.754 1.00 0.00 WT1 H ATOM 12843 H2 TIP3 3627 49.353 38.208 13.191 1.00 0.00 WT1 H ATOM 12844 OH2 TIP3 3629 68.865 31.085 -19.333 1.00 0.00 WT1 O ATOM 12845 H1 TIP3 3629 68.201 30.710 -19.912 1.00 0.00 WT1 H ATOM 12846 H2 TIP3 3629 68.561 30.872 -18.450 1.00 0.00 WT1 H ATOM 12847 OH2 TIP3 3630 29.502 92.524 64.511 1.00 0.00 WT1 O ATOM 12848 H1 TIP3 3630 28.814 92.595 63.849 1.00 0.00 WT1 H ATOM 12849 H2 TIP3 3630 29.455 91.615 64.809 1.00 0.00 WT1 H ATOM 12850 OH2 TIP3 3631 25.030 75.964 28.642 1.00 0.00 WT1 O ATOM 12851 H1 TIP3 3631 24.360 75.299 28.485 1.00 0.00 WT1 H ATOM 12852 H2 TIP3 3631 25.771 75.477 29.004 1.00 0.00 WT1 H ATOM 12853 OH2 TIP3 3632 28.308 32.936 20.078 1.00 0.00 WT1 O ATOM 12854 H1 TIP3 3632 28.112 33.812 19.746 1.00 0.00 WT1 H ATOM 12855 H2 TIP3 3632 29.240 32.814 19.899 1.00 0.00 WT1 H ATOM 12856 OH2 TIP3 3633 74.848 91.570 61.784 1.00 0.00 WT1 O ATOM 12857 H1 TIP3 3633 74.955 91.254 60.887 1.00 0.00 WT1 H ATOM 12858 H2 TIP3 3633 74.141 92.212 61.730 1.00 0.00 WT1 H ATOM 12859 OH2 TIP3 3634 68.094 82.786 30.831 1.00 0.00 WT1 O ATOM 12860 H1 TIP3 3634 68.470 82.907 29.959 1.00 0.00 WT1 H ATOM 12861 H2 TIP3 3634 67.379 83.420 30.875 1.00 0.00 WT1 H ATOM 12862 OH2 TIP3 3635 68.756 69.887 -9.627 1.00 0.00 WT1 O ATOM 12863 H1 TIP3 3635 67.861 69.993 -9.950 1.00 0.00 WT1 H ATOM 12864 H2 TIP3 3635 68.658 69.409 -8.803 1.00 0.00 WT1 H ATOM 12865 OH2 TIP3 3636 81.432 29.452 35.611 1.00 0.00 WT1 O ATOM 12866 H1 TIP3 3636 80.519 29.403 35.326 1.00 0.00 WT1 H ATOM 12867 H2 TIP3 3636 81.463 30.216 36.186 1.00 0.00 WT1 H ATOM 12868 OH2 TIP3 3637 27.934 96.262 -19.702 1.00 0.00 WT1 O ATOM 12869 H1 TIP3 3637 27.472 95.716 -19.065 1.00 0.00 WT1 H ATOM 12870 H2 TIP3 3637 28.634 95.701 -20.035 1.00 0.00 WT1 H ATOM 12871 OH2 TIP3 3638 54.334 42.859 37.075 1.00 0.00 WT1 O ATOM 12872 H1 TIP3 3638 54.350 42.294 37.848 1.00 0.00 WT1 H ATOM 12873 H2 TIP3 3638 53.511 42.643 36.637 1.00 0.00 WT1 H ATOM 12874 OH2 TIP3 3639 46.096 89.807 38.170 1.00 0.00 WT1 O ATOM 12875 H1 TIP3 3639 45.984 88.883 38.395 1.00 0.00 WT1 H ATOM 12876 H2 TIP3 3639 46.992 89.867 37.838 1.00 0.00 WT1 H ATOM 12877 OH2 TIP3 3640 75.954 1.198 -4.607 1.00 0.00 WT1 O ATOM 12878 H1 TIP3 3640 76.364 0.713 -5.324 1.00 0.00 WT1 H ATOM 12879 H2 TIP3 3640 75.151 1.553 -4.986 1.00 0.00 WT1 H ATOM 12880 OH2 TIP3 3641 67.254 75.219 28.499 1.00 0.00 WT1 O ATOM 12881 H1 TIP3 3641 67.043 75.596 27.645 1.00 0.00 WT1 H ATOM 12882 H2 TIP3 3641 66.624 74.507 28.610 1.00 0.00 WT1 H ATOM 12883 OH2 TIP3 3642 51.495 80.851 21.999 1.00 0.00 WT1 O ATOM 12884 H1 TIP3 3642 52.248 80.637 22.548 1.00 0.00 WT1 H ATOM 12885 H2 TIP3 3642 50.745 80.483 22.467 1.00 0.00 WT1 H ATOM 12886 OH2 TIP3 3643 66.320 5.903 58.494 1.00 0.00 WT1 O ATOM 12887 H1 TIP3 3643 66.454 6.145 57.578 1.00 0.00 WT1 H ATOM 12888 H2 TIP3 3643 65.442 5.522 58.516 1.00 0.00 WT1 H ATOM 12889 OH2 TIP3 3646 36.242 8.156 31.978 1.00 0.00 WT1 O ATOM 12890 H1 TIP3 3646 36.091 7.255 32.266 1.00 0.00 WT1 H ATOM 12891 H2 TIP3 3646 36.989 8.095 31.382 1.00 0.00 WT1 H ATOM 12892 OH2 TIP3 3647 48.336 12.408 38.602 1.00 0.00 WT1 O ATOM 12893 H1 TIP3 3647 47.927 13.052 39.180 1.00 0.00 WT1 H ATOM 12894 H2 TIP3 3647 48.781 11.802 39.195 1.00 0.00 WT1 H ATOM 12895 OH2 TIP3 3648 52.351 82.583 14.836 1.00 0.00 WT1 O ATOM 12896 H1 TIP3 3648 51.804 82.217 15.531 1.00 0.00 WT1 H ATOM 12897 H2 TIP3 3648 52.610 81.825 14.311 1.00 0.00 WT1 H ATOM 12898 OH2 TIP3 3649 35.431 25.765 55.874 1.00 0.00 WT1 O ATOM 12899 H1 TIP3 3649 35.806 25.236 56.578 1.00 0.00 WT1 H ATOM 12900 H2 TIP3 3649 36.182 26.214 55.485 1.00 0.00 WT1 H ATOM 12901 OH2 TIP3 3650 30.095 78.605 44.536 1.00 0.00 WT1 O ATOM 12902 H1 TIP3 3650 30.592 78.850 45.316 1.00 0.00 WT1 H ATOM 12903 H2 TIP3 3650 30.458 77.757 44.277 1.00 0.00 WT1 H ATOM 12904 OH2 TIP3 3651 29.969 16.568 62.665 1.00 0.00 WT1 O ATOM 12905 H1 TIP3 3651 29.586 16.012 63.344 1.00 0.00 WT1 H ATOM 12906 H2 TIP3 3651 30.639 17.077 63.122 1.00 0.00 WT1 H ATOM 12907 OH2 TIP3 3652 31.486 12.231 43.087 1.00 0.00 WT1 O ATOM 12908 H1 TIP3 3652 30.728 11.714 42.813 1.00 0.00 WT1 H ATOM 12909 H2 TIP3 3652 32.239 11.763 42.729 1.00 0.00 WT1 H ATOM 12910 OH2 TIP3 3653 55.348 5.288 -11.507 1.00 0.00 WT1 O ATOM 12911 H1 TIP3 3653 55.858 5.879 -12.062 1.00 0.00 WT1 H ATOM 12912 H2 TIP3 3653 55.954 5.029 -10.813 1.00 0.00 WT1 H ATOM 12913 OH2 TIP3 3654 81.979 8.312 -13.634 1.00 0.00 WT1 O ATOM 12914 H1 TIP3 3654 82.583 8.335 -12.892 1.00 0.00 WT1 H ATOM 12915 H2 TIP3 3654 82.012 9.196 -13.998 1.00 0.00 WT1 H ATOM 12916 OH2 TIP3 3655 36.845 43.555 44.973 1.00 0.00 WT1 O ATOM 12917 H1 TIP3 3655 37.249 44.128 45.626 1.00 0.00 WT1 H ATOM 12918 H2 TIP3 3655 36.226 44.119 44.509 1.00 0.00 WT1 H ATOM 12919 OH2 TIP3 3656 65.273 86.198 49.802 1.00 0.00 WT1 O ATOM 12920 H1 TIP3 3656 64.372 86.153 49.485 1.00 0.00 WT1 H ATOM 12921 H2 TIP3 3656 65.785 85.734 49.140 1.00 0.00 WT1 H ATOM 12922 OH2 TIP3 3657 33.136 11.814 56.945 1.00 0.00 WT1 O ATOM 12923 H1 TIP3 3657 33.113 11.938 57.894 1.00 0.00 WT1 H ATOM 12924 H2 TIP3 3657 32.289 12.137 56.640 1.00 0.00 WT1 H ATOM 12925 OH2 TIP3 3658 63.765 90.399 18.897 1.00 0.00 WT1 O ATOM 12926 H1 TIP3 3658 64.433 91.084 18.889 1.00 0.00 WT1 H ATOM 12927 H2 TIP3 3658 64.260 89.583 18.967 1.00 0.00 WT1 H ATOM 12928 OH2 TIP3 3659 89.578 74.361 37.444 1.00 0.00 WT1 O ATOM 12929 H1 TIP3 3659 89.166 74.051 38.251 1.00 0.00 WT1 H ATOM 12930 H2 TIP3 3659 89.024 74.014 36.744 1.00 0.00 WT1 H ATOM 12931 OH2 TIP3 3660 26.052 60.785 -15.372 1.00 0.00 WT1 O ATOM 12932 H1 TIP3 3660 25.734 60.871 -14.474 1.00 0.00 WT1 H ATOM 12933 H2 TIP3 3660 26.754 61.433 -15.441 1.00 0.00 WT1 H ATOM 12934 OH2 TIP3 3661 35.903 15.379 29.131 1.00 0.00 WT1 O ATOM 12935 H1 TIP3 3661 36.375 16.211 29.085 1.00 0.00 WT1 H ATOM 12936 H2 TIP3 3661 35.311 15.397 28.379 1.00 0.00 WT1 H ATOM 12937 OH2 TIP3 3662 23.429 4.724 34.125 1.00 0.00 WT1 O ATOM 12938 H1 TIP3 3662 23.640 3.815 34.339 1.00 0.00 WT1 H ATOM 12939 H2 TIP3 3662 22.824 4.663 33.386 1.00 0.00 WT1 H ATOM 12940 OH2 TIP3 3663 59.323 12.624 50.768 1.00 0.00 WT1 O ATOM 12941 H1 TIP3 3663 60.141 12.572 50.274 1.00 0.00 WT1 H ATOM 12942 H2 TIP3 3663 58.744 13.154 50.219 1.00 0.00 WT1 H ATOM 12943 OH2 TIP3 3664 35.316 5.031 14.721 1.00 0.00 WT1 O ATOM 12944 H1 TIP3 3664 34.365 4.993 14.822 1.00 0.00 WT1 H ATOM 12945 H2 TIP3 3664 35.635 5.337 15.570 1.00 0.00 WT1 H ATOM 12946 OH2 TIP3 3665 53.578 41.925 49.180 1.00 0.00 WT1 O ATOM 12947 H1 TIP3 3665 53.158 41.234 48.668 1.00 0.00 WT1 H ATOM 12948 H2 TIP3 3665 53.096 42.720 48.952 1.00 0.00 WT1 H ATOM 12949 OH2 TIP3 3666 88.419 28.562 -9.110 1.00 0.00 WT1 O ATOM 12950 H1 TIP3 3666 87.521 28.314 -9.329 1.00 0.00 WT1 H ATOM 12951 H2 TIP3 3666 88.795 28.860 -9.938 1.00 0.00 WT1 H ATOM 12952 OH2 TIP3 3668 87.012 9.179 6.784 1.00 0.00 WT1 O ATOM 12953 H1 TIP3 3668 86.927 9.539 5.901 1.00 0.00 WT1 H ATOM 12954 H2 TIP3 3668 87.948 9.234 6.976 1.00 0.00 WT1 H ATOM 12955 OH2 TIP3 3669 78.024 90.008 1.976 1.00 0.00 WT1 O ATOM 12956 H1 TIP3 3669 77.406 90.699 2.215 1.00 0.00 WT1 H ATOM 12957 H2 TIP3 3669 77.496 89.368 1.500 1.00 0.00 WT1 H ATOM 12958 OH2 TIP3 3670 88.021 93.308 45.322 1.00 0.00 WT1 O ATOM 12959 H1 TIP3 3670 87.679 93.845 44.607 1.00 0.00 WT1 H ATOM 12960 H2 TIP3 3670 87.254 93.104 45.858 1.00 0.00 WT1 H ATOM 12961 OH2 TIP3 3672 48.607 20.709 34.751 1.00 0.00 WT1 O ATOM 12962 H1 TIP3 3672 48.942 21.285 34.065 1.00 0.00 WT1 H ATOM 12963 H2 TIP3 3672 47.699 20.986 34.876 1.00 0.00 WT1 H ATOM 12964 OH2 TIP3 3673 84.599 80.022 -11.215 1.00 0.00 WT1 O ATOM 12965 H1 TIP3 3673 84.752 80.092 -10.273 1.00 0.00 WT1 H ATOM 12966 H2 TIP3 3673 83.660 80.176 -11.318 1.00 0.00 WT1 H ATOM 12967 OH2 TIP3 3674 51.222 78.936 11.732 1.00 0.00 WT1 O ATOM 12968 H1 TIP3 3674 50.496 78.867 12.351 1.00 0.00 WT1 H ATOM 12969 H2 TIP3 3674 51.277 78.070 11.328 1.00 0.00 WT1 H ATOM 12970 OH2 TIP3 3675 82.637 6.018 59.098 1.00 0.00 WT1 O ATOM 12971 H1 TIP3 3675 81.690 6.002 59.235 1.00 0.00 WT1 H ATOM 12972 H2 TIP3 3675 82.937 6.788 59.581 1.00 0.00 WT1 H ATOM 12973 OH2 TIP3 3676 64.384 11.027 5.156 1.00 0.00 WT1 O ATOM 12974 H1 TIP3 3676 63.619 11.494 4.820 1.00 0.00 WT1 H ATOM 12975 H2 TIP3 3676 64.587 11.464 5.984 1.00 0.00 WT1 H ATOM 12976 OH2 TIP3 3677 76.293 27.105 46.760 1.00 0.00 WT1 O ATOM 12977 H1 TIP3 3677 75.803 27.792 47.213 1.00 0.00 WT1 H ATOM 12978 H2 TIP3 3677 76.609 27.525 45.959 1.00 0.00 WT1 H ATOM 12979 OH2 TIP3 3678 74.868 22.498 -0.902 1.00 0.00 WT1 O ATOM 12980 H1 TIP3 3678 74.905 23.429 -0.684 1.00 0.00 WT1 H ATOM 12981 H2 TIP3 3678 75.581 22.104 -0.400 1.00 0.00 WT1 H ATOM 12982 OH2 TIP3 3679 69.936 92.228 30.074 1.00 0.00 WT1 O ATOM 12983 H1 TIP3 3679 69.107 91.750 30.064 1.00 0.00 WT1 H ATOM 12984 H2 TIP3 3679 70.404 91.914 29.300 1.00 0.00 WT1 H ATOM 12985 OH2 TIP3 3680 63.783 11.456 8.471 1.00 0.00 WT1 O ATOM 12986 H1 TIP3 3680 64.234 12.134 8.975 1.00 0.00 WT1 H ATOM 12987 H2 TIP3 3680 62.945 11.343 8.918 1.00 0.00 WT1 H ATOM 12988 OH2 TIP3 3681 49.450 3.317 44.500 1.00 0.00 WT1 O ATOM 12989 H1 TIP3 3681 50.155 2.670 44.506 1.00 0.00 WT1 H ATOM 12990 H2 TIP3 3681 49.898 4.161 44.553 1.00 0.00 WT1 H ATOM 12991 OH2 TIP3 3682 40.401 18.125 24.605 1.00 0.00 WT1 O ATOM 12992 H1 TIP3 3682 40.612 17.284 25.011 1.00 0.00 WT1 H ATOM 12993 H2 TIP3 3682 41.227 18.420 24.221 1.00 0.00 WT1 H ATOM 12994 OH2 TIP3 3683 26.279 25.727 -5.933 1.00 0.00 WT1 O ATOM 12995 H1 TIP3 3683 25.762 25.988 -6.695 1.00 0.00 WT1 H ATOM 12996 H2 TIP3 3683 26.014 26.334 -5.243 1.00 0.00 WT1 H ATOM 12997 OH2 TIP3 3685 89.968 52.867 -8.926 1.00 0.00 WT1 O ATOM 12998 H1 TIP3 3685 89.513 52.660 -9.743 1.00 0.00 WT1 H ATOM 12999 H2 TIP3 3685 89.992 53.823 -8.900 1.00 0.00 WT1 H ATOM 13000 OH2 TIP3 3686 74.892 21.622 13.650 1.00 0.00 WT1 O ATOM 13001 H1 TIP3 3686 74.497 20.822 13.305 1.00 0.00 WT1 H ATOM 13002 H2 TIP3 3686 74.651 21.629 14.576 1.00 0.00 WT1 H ATOM 13003 OH2 TIP3 3687 77.836 32.872 51.196 1.00 0.00 WT1 O ATOM 13004 H1 TIP3 3687 77.890 32.081 50.661 1.00 0.00 WT1 H ATOM 13005 H2 TIP3 3687 78.690 33.291 51.092 1.00 0.00 WT1 H ATOM 13006 OH2 TIP3 3689 79.002 37.972 20.001 1.00 0.00 WT1 O ATOM 13007 H1 TIP3 3689 78.333 38.596 19.720 1.00 0.00 WT1 H ATOM 13008 H2 TIP3 3689 78.694 37.127 19.674 1.00 0.00 WT1 H ATOM 13009 OH2 TIP3 3691 83.502 45.843 47.246 1.00 0.00 WT1 O ATOM 13010 H1 TIP3 3691 83.500 46.799 47.217 1.00 0.00 WT1 H ATOM 13011 H2 TIP3 3691 82.594 45.607 47.439 1.00 0.00 WT1 H ATOM 13012 OH2 TIP3 3692 43.269 75.897 66.509 1.00 0.00 WT1 O ATOM 13013 H1 TIP3 3692 43.928 75.363 66.066 1.00 0.00 WT1 H ATOM 13014 H2 TIP3 3692 43.613 76.017 67.394 1.00 0.00 WT1 H ATOM 13015 OH2 TIP3 3693 55.825 8.225 64.036 1.00 0.00 WT1 O ATOM 13016 H1 TIP3 3693 55.732 7.390 64.494 1.00 0.00 WT1 H ATOM 13017 H2 TIP3 3693 55.687 8.009 63.113 1.00 0.00 WT1 H ATOM 13018 OH2 TIP3 3694 26.081 2.735 -4.494 1.00 0.00 WT1 O ATOM 13019 H1 TIP3 3694 26.317 3.028 -3.614 1.00 0.00 WT1 H ATOM 13020 H2 TIP3 3694 25.391 3.339 -4.770 1.00 0.00 WT1 H ATOM 13021 OH2 TIP3 3695 61.140 50.984 -9.259 1.00 0.00 WT1 O ATOM 13022 H1 TIP3 3695 61.913 50.578 -8.867 1.00 0.00 WT1 H ATOM 13023 H2 TIP3 3695 60.941 51.725 -8.687 1.00 0.00 WT1 H ATOM 13024 OH2 TIP3 3696 44.143 4.732 60.108 1.00 0.00 WT1 O ATOM 13025 H1 TIP3 3696 43.721 3.901 59.892 1.00 0.00 WT1 H ATOM 13026 H2 TIP3 3696 43.698 5.377 59.559 1.00 0.00 WT1 H ATOM 13027 OH2 TIP3 3697 66.413 23.338 32.830 1.00 0.00 WT1 O ATOM 13028 H1 TIP3 3697 67.223 23.771 32.562 1.00 0.00 WT1 H ATOM 13029 H2 TIP3 3697 65.732 23.756 32.303 1.00 0.00 WT1 H ATOM 13030 OH2 TIP3 3698 37.702 42.722 37.577 1.00 0.00 WT1 O ATOM 13031 H1 TIP3 3698 37.074 43.227 38.093 1.00 0.00 WT1 H ATOM 13032 H2 TIP3 3698 37.578 43.029 36.679 1.00 0.00 WT1 H ATOM 13033 OH2 TIP3 3699 90.496 15.231 40.665 1.00 0.00 WT1 O ATOM 13034 H1 TIP3 3699 89.833 14.572 40.461 1.00 0.00 WT1 H ATOM 13035 H2 TIP3 3699 90.577 15.203 41.618 1.00 0.00 WT1 H ATOM 13036 OH2 TIP3 3700 23.128 70.214 -5.212 1.00 0.00 WT1 O ATOM 13037 H1 TIP3 3700 22.462 69.988 -4.562 1.00 0.00 WT1 H ATOM 13038 H2 TIP3 3700 23.827 69.576 -5.071 1.00 0.00 WT1 H ATOM 13039 OH2 TIP3 3701 58.079 22.508 11.430 1.00 0.00 WT1 O ATOM 13040 H1 TIP3 3701 57.867 23.085 10.696 1.00 0.00 WT1 H ATOM 13041 H2 TIP3 3701 57.905 23.035 12.209 1.00 0.00 WT1 H ATOM 13042 OH2 TIP3 3702 56.019 12.675 58.654 1.00 0.00 WT1 O ATOM 13043 H1 TIP3 3702 56.288 11.891 59.131 1.00 0.00 WT1 H ATOM 13044 H2 TIP3 3702 55.062 12.641 58.656 1.00 0.00 WT1 H ATOM 13045 OH2 TIP3 3703 69.131 19.916 28.007 1.00 0.00 WT1 O ATOM 13046 H1 TIP3 3703 68.788 19.621 27.163 1.00 0.00 WT1 H ATOM 13047 H2 TIP3 3703 69.465 20.796 27.837 1.00 0.00 WT1 H ATOM 13048 OH2 TIP3 3704 63.701 29.307 0.575 1.00 0.00 WT1 O ATOM 13049 H1 TIP3 3704 63.165 28.835 1.213 1.00 0.00 WT1 H ATOM 13050 H2 TIP3 3704 64.074 30.037 1.068 1.00 0.00 WT1 H ATOM 13051 OH2 TIP3 3705 75.951 46.174 22.628 1.00 0.00 WT1 O ATOM 13052 H1 TIP3 3705 75.122 46.615 22.813 1.00 0.00 WT1 H ATOM 13053 H2 TIP3 3705 76.155 46.417 21.724 1.00 0.00 WT1 H ATOM 13054 OH2 TIP3 3706 36.568 4.176 26.713 1.00 0.00 WT1 O ATOM 13055 H1 TIP3 3706 37.483 3.896 26.745 1.00 0.00 WT1 H ATOM 13056 H2 TIP3 3706 36.398 4.539 27.582 1.00 0.00 WT1 H ATOM 13057 OH2 TIP3 3708 87.050 3.107 0.580 1.00 0.00 WT1 O ATOM 13058 H1 TIP3 3708 86.112 2.921 0.526 1.00 0.00 WT1 H ATOM 13059 H2 TIP3 3708 87.201 3.313 1.502 1.00 0.00 WT1 H ATOM 13060 OH2 TIP3 3710 83.265 7.922 41.974 1.00 0.00 WT1 O ATOM 13061 H1 TIP3 3710 82.491 7.457 41.656 1.00 0.00 WT1 H ATOM 13062 H2 TIP3 3710 83.992 7.544 41.479 1.00 0.00 WT1 H ATOM 13063 OH2 TIP3 3711 42.148 51.150 50.655 1.00 0.00 WT1 O ATOM 13064 H1 TIP3 3711 43.011 51.477 50.908 1.00 0.00 WT1 H ATOM 13065 H2 TIP3 3711 41.897 50.559 51.365 1.00 0.00 WT1 H ATOM 13066 OH2 TIP3 3712 62.902 4.964 53.059 1.00 0.00 WT1 O ATOM 13067 H1 TIP3 3712 63.451 5.440 52.437 1.00 0.00 WT1 H ATOM 13068 H2 TIP3 3712 63.153 5.311 53.915 1.00 0.00 WT1 H ATOM 13069 OH2 TIP3 3715 30.499 7.127 1.149 1.00 0.00 WT1 O ATOM 13070 H1 TIP3 3715 30.890 7.996 1.053 1.00 0.00 WT1 H ATOM 13071 H2 TIP3 3715 30.259 7.073 2.074 1.00 0.00 WT1 H ATOM 13072 OH2 TIP3 3717 39.518 68.103 -11.850 1.00 0.00 WT1 O ATOM 13073 H1 TIP3 3717 39.433 67.165 -11.681 1.00 0.00 WT1 H ATOM 13074 H2 TIP3 3717 39.012 68.519 -11.152 1.00 0.00 WT1 H ATOM 13075 OH2 TIP3 3718 39.709 73.229 -0.324 1.00 0.00 WT1 O ATOM 13076 H1 TIP3 3718 40.146 73.056 0.509 1.00 0.00 WT1 H ATOM 13077 H2 TIP3 3718 38.873 72.768 -0.257 1.00 0.00 WT1 H ATOM 13078 OH2 TIP3 3719 39.714 33.035 0.808 1.00 0.00 WT1 O ATOM 13079 H1 TIP3 3719 40.374 33.551 0.346 1.00 0.00 WT1 H ATOM 13080 H2 TIP3 3719 39.881 32.133 0.535 1.00 0.00 WT1 H ATOM 13081 OH2 TIP3 3720 81.143 17.410 0.583 1.00 0.00 WT1 O ATOM 13082 H1 TIP3 3720 81.882 17.952 0.308 1.00 0.00 WT1 H ATOM 13083 H2 TIP3 3720 80.886 17.768 1.433 1.00 0.00 WT1 H ATOM 13084 OH2 TIP3 3721 61.846 45.848 40.311 1.00 0.00 WT1 O ATOM 13085 H1 TIP3 3721 60.909 45.915 40.131 1.00 0.00 WT1 H ATOM 13086 H2 TIP3 3721 62.231 45.566 39.481 1.00 0.00 WT1 H ATOM 13087 OH2 TIP3 3722 31.812 76.924 60.575 1.00 0.00 WT1 O ATOM 13088 H1 TIP3 3722 31.710 76.882 61.526 1.00 0.00 WT1 H ATOM 13089 H2 TIP3 3722 32.426 76.219 60.368 1.00 0.00 WT1 H ATOM 13090 OH2 TIP3 3723 59.345 7.166 19.718 1.00 0.00 WT1 O ATOM 13091 H1 TIP3 3723 60.268 7.411 19.785 1.00 0.00 WT1 H ATOM 13092 H2 TIP3 3723 59.023 7.649 18.957 1.00 0.00 WT1 H ATOM 13093 OH2 TIP3 3724 37.781 14.634 22.605 1.00 0.00 WT1 O ATOM 13094 H1 TIP3 3724 38.078 15.339 22.029 1.00 0.00 WT1 H ATOM 13095 H2 TIP3 3724 37.873 13.840 22.079 1.00 0.00 WT1 H ATOM 13096 OH2 TIP3 3727 87.013 36.048 18.900 1.00 0.00 WT1 O ATOM 13097 H1 TIP3 3727 87.526 35.894 18.107 1.00 0.00 WT1 H ATOM 13098 H2 TIP3 3727 86.848 35.174 19.252 1.00 0.00 WT1 H ATOM 13099 OH2 TIP3 3728 53.775 35.679 -3.168 1.00 0.00 WT1 O ATOM 13100 H1 TIP3 3728 53.162 35.384 -3.842 1.00 0.00 WT1 H ATOM 13101 H2 TIP3 3728 53.249 36.232 -2.592 1.00 0.00 WT1 H ATOM 13102 OH2 TIP3 3729 41.637 56.442 49.052 1.00 0.00 WT1 O ATOM 13103 H1 TIP3 3729 42.144 55.668 49.297 1.00 0.00 WT1 H ATOM 13104 H2 TIP3 3729 42.219 57.179 49.236 1.00 0.00 WT1 H ATOM 13105 OH2 TIP3 3732 79.477 95.884 -2.360 1.00 0.00 WT1 O ATOM 13106 H1 TIP3 3732 79.725 96.798 -2.498 1.00 0.00 WT1 H ATOM 13107 H2 TIP3 3732 78.523 95.880 -2.437 1.00 0.00 WT1 H ATOM 13108 OH2 TIP3 3735 38.325 44.513 35.318 1.00 0.00 WT1 O ATOM 13109 H1 TIP3 3735 38.975 44.780 34.668 1.00 0.00 WT1 H ATOM 13110 H2 TIP3 3735 38.720 44.737 36.160 1.00 0.00 WT1 H ATOM 13111 OH2 TIP3 3736 37.856 85.824 21.341 1.00 0.00 WT1 O ATOM 13112 H1 TIP3 3736 38.661 86.165 21.732 1.00 0.00 WT1 H ATOM 13113 H2 TIP3 3736 37.915 86.069 20.418 1.00 0.00 WT1 H ATOM 13114 OH2 TIP3 3737 90.070 18.826 -9.638 1.00 0.00 WT1 O ATOM 13115 H1 TIP3 3737 90.843 18.462 -9.208 1.00 0.00 WT1 H ATOM 13116 H2 TIP3 3737 90.414 19.511 -10.212 1.00 0.00 WT1 H ATOM 13117 OH2 TIP3 3738 29.128 5.739 64.323 1.00 0.00 WT1 O ATOM 13118 H1 TIP3 3738 28.660 4.987 63.961 1.00 0.00 WT1 H ATOM 13119 H2 TIP3 3738 28.518 6.118 64.957 1.00 0.00 WT1 H ATOM 13120 OH2 TIP3 3739 54.799 28.122 44.500 1.00 0.00 WT1 O ATOM 13121 H1 TIP3 3739 54.081 28.502 45.007 1.00 0.00 WT1 H ATOM 13122 H2 TIP3 3739 55.245 27.540 45.116 1.00 0.00 WT1 H ATOM 13123 OH2 TIP3 3740 37.840 67.927 25.797 1.00 0.00 WT1 O ATOM 13124 H1 TIP3 3740 38.411 68.202 25.079 1.00 0.00 WT1 H ATOM 13125 H2 TIP3 3740 38.438 67.588 26.463 1.00 0.00 WT1 H ATOM 13126 OH2 TIP3 3741 64.925 72.908 48.005 1.00 0.00 WT1 O ATOM 13127 H1 TIP3 3741 65.218 73.155 48.882 1.00 0.00 WT1 H ATOM 13128 H2 TIP3 3741 65.048 71.959 47.970 1.00 0.00 WT1 H ATOM 13129 OH2 TIP3 3742 63.020 35.520 55.601 1.00 0.00 WT1 O ATOM 13130 H1 TIP3 3742 62.959 36.381 56.014 1.00 0.00 WT1 H ATOM 13131 H2 TIP3 3742 62.119 35.196 55.586 1.00 0.00 WT1 H ATOM 13132 OH2 TIP3 3743 84.895 74.827 -7.733 1.00 0.00 WT1 O ATOM 13133 H1 TIP3 3743 84.740 75.546 -8.346 1.00 0.00 WT1 H ATOM 13134 H2 TIP3 3743 84.080 74.756 -7.236 1.00 0.00 WT1 H ATOM 13135 OH2 TIP3 3744 85.347 64.182 14.987 1.00 0.00 WT1 O ATOM 13136 H1 TIP3 3744 86.257 64.319 14.723 1.00 0.00 WT1 H ATOM 13137 H2 TIP3 3744 85.072 63.402 14.505 1.00 0.00 WT1 H ATOM 13138 OH2 TIP3 3745 29.674 22.850 -19.642 1.00 0.00 WT1 O ATOM 13139 H1 TIP3 3745 29.910 22.781 -18.716 1.00 0.00 WT1 H ATOM 13140 H2 TIP3 3745 28.720 22.921 -19.641 1.00 0.00 WT1 H ATOM 13141 OH2 TIP3 3746 65.387 92.898 60.348 1.00 0.00 WT1 O ATOM 13142 H1 TIP3 3746 64.900 92.272 59.812 1.00 0.00 WT1 H ATOM 13143 H2 TIP3 3746 65.292 93.732 59.888 1.00 0.00 WT1 H ATOM 13144 OH2 TIP3 3747 39.952 63.118 11.526 1.00 0.00 WT1 O ATOM 13145 H1 TIP3 3747 40.752 62.932 12.018 1.00 0.00 WT1 H ATOM 13146 H2 TIP3 3747 40.255 63.324 10.642 1.00 0.00 WT1 H ATOM 13147 OH2 TIP3 3750 76.197 73.479 18.714 1.00 0.00 WT1 O ATOM 13148 H1 TIP3 3750 75.273 73.704 18.607 1.00 0.00 WT1 H ATOM 13149 H2 TIP3 3750 76.381 72.873 17.996 1.00 0.00 WT1 H ATOM 13150 OH2 TIP3 3751 30.112 30.064 -5.484 1.00 0.00 WT1 O ATOM 13151 H1 TIP3 3751 30.755 30.225 -6.176 1.00 0.00 WT1 H ATOM 13152 H2 TIP3 3751 29.808 30.936 -5.232 1.00 0.00 WT1 H ATOM 13153 OH2 TIP3 3752 41.522 13.662 10.073 1.00 0.00 WT1 O ATOM 13154 H1 TIP3 3752 42.157 14.226 9.632 1.00 0.00 WT1 H ATOM 13155 H2 TIP3 3752 42.055 13.082 10.618 1.00 0.00 WT1 H ATOM 13156 OH2 TIP3 3753 73.583 35.282 43.957 1.00 0.00 WT1 O ATOM 13157 H1 TIP3 3753 74.303 35.840 43.662 1.00 0.00 WT1 H ATOM 13158 H2 TIP3 3753 73.707 34.460 43.483 1.00 0.00 WT1 H ATOM 13159 OH2 TIP3 3756 59.326 72.555 42.774 1.00 0.00 WT1 O ATOM 13160 H1 TIP3 3756 58.518 72.108 43.024 1.00 0.00 WT1 H ATOM 13161 H2 TIP3 3756 59.737 72.790 43.605 1.00 0.00 WT1 H ATOM 13162 OH2 TIP3 3757 82.834 42.354 -14.644 1.00 0.00 WT1 O ATOM 13163 H1 TIP3 3757 82.281 42.717 -13.952 1.00 0.00 WT1 H ATOM 13164 H2 TIP3 3757 83.075 43.109 -15.180 1.00 0.00 WT1 H ATOM 13165 OH2 TIP3 3758 66.739 6.938 9.958 1.00 0.00 WT1 O ATOM 13166 H1 TIP3 3758 65.841 7.118 9.679 1.00 0.00 WT1 H ATOM 13167 H2 TIP3 3758 66.799 7.320 10.834 1.00 0.00 WT1 H ATOM 13168 OH2 TIP3 3759 61.586 81.695 -13.538 1.00 0.00 WT1 O ATOM 13169 H1 TIP3 3759 61.814 80.978 -12.946 1.00 0.00 WT1 H ATOM 13170 H2 TIP3 3759 62.264 82.354 -13.391 1.00 0.00 WT1 H ATOM 13171 OH2 TIP3 3760 41.999 28.615 -12.667 1.00 0.00 WT1 O ATOM 13172 H1 TIP3 3760 41.156 28.297 -12.989 1.00 0.00 WT1 H ATOM 13173 H2 TIP3 3760 42.502 28.807 -13.459 1.00 0.00 WT1 H ATOM 13174 OH2 TIP3 3761 29.945 38.140 14.745 1.00 0.00 WT1 O ATOM 13175 H1 TIP3 3761 29.610 39.033 14.670 1.00 0.00 WT1 H ATOM 13176 H2 TIP3 3761 30.816 38.242 15.129 1.00 0.00 WT1 H ATOM 13177 OH2 TIP3 3762 29.617 86.308 -9.860 1.00 0.00 WT1 O ATOM 13178 H1 TIP3 3762 29.049 85.539 -9.913 1.00 0.00 WT1 H ATOM 13179 H2 TIP3 3762 29.946 86.425 -10.751 1.00 0.00 WT1 H ATOM 13180 OH2 TIP3 3763 37.719 86.303 45.244 1.00 0.00 WT1 O ATOM 13181 H1 TIP3 3763 37.883 86.531 46.159 1.00 0.00 WT1 H ATOM 13182 H2 TIP3 3763 36.786 86.475 45.117 1.00 0.00 WT1 H ATOM 13183 OH2 TIP3 3764 45.312 11.249 -3.514 1.00 0.00 WT1 O ATOM 13184 H1 TIP3 3764 44.764 11.966 -3.833 1.00 0.00 WT1 H ATOM 13185 H2 TIP3 3764 44.886 10.963 -2.706 1.00 0.00 WT1 H ATOM 13186 OH2 TIP3 3765 24.888 23.250 -8.183 1.00 0.00 WT1 O ATOM 13187 H1 TIP3 3765 25.026 23.480 -9.102 1.00 0.00 WT1 H ATOM 13188 H2 TIP3 3765 24.169 23.815 -7.900 1.00 0.00 WT1 H ATOM 13189 OH2 TIP3 3768 39.360 65.906 27.426 1.00 0.00 WT1 O ATOM 13190 H1 TIP3 3768 38.990 65.229 26.859 1.00 0.00 WT1 H ATOM 13191 H2 TIP3 3768 40.270 65.640 27.555 1.00 0.00 WT1 H ATOM 13192 OH2 TIP3 3770 55.476 14.760 -2.322 1.00 0.00 WT1 O ATOM 13193 H1 TIP3 3770 56.107 15.290 -1.834 1.00 0.00 WT1 H ATOM 13194 H2 TIP3 3770 54.901 15.399 -2.743 1.00 0.00 WT1 H ATOM 13195 OH2 TIP3 3775 88.915 32.157 64.559 1.00 0.00 WT1 O ATOM 13196 H1 TIP3 3775 88.012 32.255 64.862 1.00 0.00 WT1 H ATOM 13197 H2 TIP3 3775 89.163 33.031 64.259 1.00 0.00 WT1 H ATOM 13198 OH2 TIP3 3776 63.351 55.087 -1.455 1.00 0.00 WT1 O ATOM 13199 H1 TIP3 3776 63.397 55.270 -0.516 1.00 0.00 WT1 H ATOM 13200 H2 TIP3 3776 63.175 54.148 -1.508 1.00 0.00 WT1 H ATOM 13201 OH2 TIP3 3777 58.233 73.287 48.750 1.00 0.00 WT1 O ATOM 13202 H1 TIP3 3777 59.115 73.050 48.464 1.00 0.00 WT1 H ATOM 13203 H2 TIP3 3777 57.667 72.621 48.359 1.00 0.00 WT1 H ATOM 13204 OH2 TIP3 3779 62.180 14.823 60.183 1.00 0.00 WT1 O ATOM 13205 H1 TIP3 3779 61.470 14.414 60.677 1.00 0.00 WT1 H ATOM 13206 H2 TIP3 3779 62.624 14.092 59.753 1.00 0.00 WT1 H ATOM 13207 OH2 TIP3 3780 49.064 51.441 -14.260 1.00 0.00 WT1 O ATOM 13208 H1 TIP3 3780 49.745 52.087 -14.077 1.00 0.00 WT1 H ATOM 13209 H2 TIP3 3780 48.405 51.921 -14.761 1.00 0.00 WT1 H ATOM 13210 OH2 TIP3 3781 28.395 57.621 47.489 1.00 0.00 WT1 O ATOM 13211 H1 TIP3 3781 28.302 58.448 47.962 1.00 0.00 WT1 H ATOM 13212 H2 TIP3 3781 27.527 57.220 47.532 1.00 0.00 WT1 H ATOM 13213 OH2 TIP3 3782 77.385 27.354 17.335 1.00 0.00 WT1 O ATOM 13214 H1 TIP3 3782 77.422 27.007 18.227 1.00 0.00 WT1 H ATOM 13215 H2 TIP3 3782 77.236 28.292 17.448 1.00 0.00 WT1 H ATOM 13216 OH2 TIP3 3783 23.203 28.098 12.904 1.00 0.00 WT1 O ATOM 13217 H1 TIP3 3783 22.704 27.304 12.712 1.00 0.00 WT1 H ATOM 13218 H2 TIP3 3783 23.368 28.057 13.846 1.00 0.00 WT1 H ATOM 13219 OH2 TIP3 3784 79.721 45.736 27.614 1.00 0.00 WT1 O ATOM 13220 H1 TIP3 3784 79.179 46.524 27.640 1.00 0.00 WT1 H ATOM 13221 H2 TIP3 3784 79.169 45.078 27.191 1.00 0.00 WT1 H ATOM 13222 OH2 TIP3 3785 83.405 6.946 -0.754 1.00 0.00 WT1 O ATOM 13223 H1 TIP3 3785 83.144 7.214 -1.635 1.00 0.00 WT1 H ATOM 13224 H2 TIP3 3785 83.382 5.990 -0.777 1.00 0.00 WT1 H ATOM 13225 OH2 TIP3 3786 75.157 6.639 48.698 1.00 0.00 WT1 O ATOM 13226 H1 TIP3 3786 74.980 6.582 47.759 1.00 0.00 WT1 H ATOM 13227 H2 TIP3 3786 75.735 7.396 48.788 1.00 0.00 WT1 H ATOM 13228 OH2 TIP3 3788 61.993 12.457 12.588 1.00 0.00 WT1 O ATOM 13229 H1 TIP3 3788 62.343 11.965 13.330 1.00 0.00 WT1 H ATOM 13230 H2 TIP3 3788 61.430 11.833 12.129 1.00 0.00 WT1 H ATOM 13231 OH2 TIP3 3789 50.547 9.797 63.117 1.00 0.00 WT1 O ATOM 13232 H1 TIP3 3789 51.370 9.331 62.971 1.00 0.00 WT1 H ATOM 13233 H2 TIP3 3789 50.748 10.710 62.911 1.00 0.00 WT1 H ATOM 13234 OH2 TIP3 3790 39.555 24.002 15.903 1.00 0.00 WT1 O ATOM 13235 H1 TIP3 3790 38.863 23.941 15.245 1.00 0.00 WT1 H ATOM 13236 H2 TIP3 3790 40.320 23.608 15.484 1.00 0.00 WT1 H ATOM 13237 OH2 TIP3 3795 83.624 10.170 64.920 1.00 0.00 WT1 O ATOM 13238 H1 TIP3 3795 82.819 9.660 64.827 1.00 0.00 WT1 H ATOM 13239 H2 TIP3 3795 83.699 10.652 64.096 1.00 0.00 WT1 H ATOM 13240 OH2 TIP3 3796 52.547 72.154 25.324 1.00 0.00 WT1 O ATOM 13241 H1 TIP3 3796 52.198 71.302 25.062 1.00 0.00 WT1 H ATOM 13242 H2 TIP3 3796 53.258 72.322 24.706 1.00 0.00 WT1 H ATOM 13243 OH2 TIP3 3797 74.771 27.007 32.199 1.00 0.00 WT1 O ATOM 13244 H1 TIP3 3797 75.687 27.177 32.422 1.00 0.00 WT1 H ATOM 13245 H2 TIP3 3797 74.784 26.154 31.765 1.00 0.00 WT1 H ATOM 13246 OH2 TIP3 3798 67.774 73.804 62.138 1.00 0.00 WT1 O ATOM 13247 H1 TIP3 3798 68.526 73.994 61.577 1.00 0.00 WT1 H ATOM 13248 H2 TIP3 3798 68.159 73.545 62.975 1.00 0.00 WT1 H ATOM 13249 OH2 TIP3 3800 68.312 16.612 50.785 1.00 0.00 WT1 O ATOM 13250 H1 TIP3 3800 67.673 16.953 50.159 1.00 0.00 WT1 H ATOM 13251 H2 TIP3 3800 67.788 16.128 51.424 1.00 0.00 WT1 H ATOM 13252 OH2 TIP3 3801 51.941 23.098 -4.017 1.00 0.00 WT1 O ATOM 13253 H1 TIP3 3801 51.896 24.027 -4.243 1.00 0.00 WT1 H ATOM 13254 H2 TIP3 3801 51.336 23.001 -3.281 1.00 0.00 WT1 H ATOM 13255 OH2 TIP3 3802 61.743 33.398 10.529 1.00 0.00 WT1 O ATOM 13256 H1 TIP3 3802 61.504 33.248 9.614 1.00 0.00 WT1 H ATOM 13257 H2 TIP3 3802 61.364 34.251 10.740 1.00 0.00 WT1 H ATOM 13258 OH2 TIP3 3803 79.720 85.303 25.636 1.00 0.00 WT1 O ATOM 13259 H1 TIP3 3803 79.470 84.404 25.848 1.00 0.00 WT1 H ATOM 13260 H2 TIP3 3803 80.538 85.215 25.146 1.00 0.00 WT1 H ATOM 13261 OH2 TIP3 3804 43.186 57.783 11.016 1.00 0.00 WT1 O ATOM 13262 H1 TIP3 3804 44.095 58.084 11.035 1.00 0.00 WT1 H ATOM 13263 H2 TIP3 3804 43.028 57.443 11.897 1.00 0.00 WT1 H ATOM 13264 OH2 TIP3 3805 64.788 79.230 63.290 1.00 0.00 WT1 O ATOM 13265 H1 TIP3 3805 64.808 79.876 62.583 1.00 0.00 WT1 H ATOM 13266 H2 TIP3 3805 64.933 79.742 64.086 1.00 0.00 WT1 H ATOM 13267 OH2 TIP3 3806 85.770 51.457 -7.287 1.00 0.00 WT1 O ATOM 13268 H1 TIP3 3806 85.606 52.130 -7.947 1.00 0.00 WT1 H ATOM 13269 H2 TIP3 3806 86.685 51.585 -7.035 1.00 0.00 WT1 H ATOM 13270 OH2 TIP3 3807 39.488 33.192 41.609 1.00 0.00 WT1 O ATOM 13271 H1 TIP3 3807 38.781 33.738 41.266 1.00 0.00 WT1 H ATOM 13272 H2 TIP3 3807 40.194 33.807 41.805 1.00 0.00 WT1 H ATOM 13273 OH2 TIP3 3808 46.549 7.983 19.967 1.00 0.00 WT1 O ATOM 13274 H1 TIP3 3808 46.691 7.111 19.598 1.00 0.00 WT1 H ATOM 13275 H2 TIP3 3808 46.606 8.574 19.216 1.00 0.00 WT1 H ATOM 13276 OH2 TIP3 3809 66.302 53.376 36.691 1.00 0.00 WT1 O ATOM 13277 H1 TIP3 3809 65.366 53.496 36.850 1.00 0.00 WT1 H ATOM 13278 H2 TIP3 3809 66.387 53.381 35.738 1.00 0.00 WT1 H ATOM 13279 OH2 TIP3 3810 32.668 42.612 -3.357 1.00 0.00 WT1 O ATOM 13280 H1 TIP3 3810 32.008 42.857 -2.710 1.00 0.00 WT1 H ATOM 13281 H2 TIP3 3810 33.272 43.354 -3.377 1.00 0.00 WT1 H ATOM 13282 OH2 TIP3 3811 66.592 0.998 13.101 1.00 0.00 WT1 O ATOM 13283 H1 TIP3 3811 67.363 0.605 12.690 1.00 0.00 WT1 H ATOM 13284 H2 TIP3 3811 66.719 0.851 14.038 1.00 0.00 WT1 H ATOM 13285 OH2 TIP3 3813 73.114 69.089 0.698 1.00 0.00 WT1 O ATOM 13286 H1 TIP3 3813 73.486 68.708 1.494 1.00 0.00 WT1 H ATOM 13287 H2 TIP3 3813 73.184 70.034 0.830 1.00 0.00 WT1 H ATOM 13288 OH2 TIP3 3818 48.617 13.580 15.077 1.00 0.00 WT1 O ATOM 13289 H1 TIP3 3818 48.966 14.329 14.595 1.00 0.00 WT1 H ATOM 13290 H2 TIP3 3818 49.343 12.957 15.111 1.00 0.00 WT1 H ATOM 13291 OH2 TIP3 3819 89.086 30.664 51.936 1.00 0.00 WT1 O ATOM 13292 H1 TIP3 3819 89.332 29.870 51.461 1.00 0.00 WT1 H ATOM 13293 H2 TIP3 3819 89.161 31.365 51.289 1.00 0.00 WT1 H ATOM 13294 OH2 TIP3 3820 20.368 84.332 -0.501 1.00 0.00 WT1 O ATOM 13295 H1 TIP3 3820 20.184 85.253 -0.687 1.00 0.00 WT1 H ATOM 13296 H2 TIP3 3820 21.318 84.256 -0.586 1.00 0.00 WT1 H ATOM 13297 OH2 TIP3 3821 39.957 83.355 34.374 1.00 0.00 WT1 O ATOM 13298 H1 TIP3 3821 39.194 83.930 34.318 1.00 0.00 WT1 H ATOM 13299 H2 TIP3 3821 40.196 83.184 33.463 1.00 0.00 WT1 H ATOM 13300 OH2 TIP3 3822 20.092 26.474 9.540 1.00 0.00 WT1 O ATOM 13301 H1 TIP3 3822 20.847 25.931 9.313 1.00 0.00 WT1 H ATOM 13302 H2 TIP3 3822 20.039 26.425 10.495 1.00 0.00 WT1 H ATOM 13303 OH2 TIP3 3823 80.606 30.413 66.984 1.00 0.00 WT1 O ATOM 13304 H1 TIP3 3823 81.505 30.693 66.809 1.00 0.00 WT1 H ATOM 13305 H2 TIP3 3823 80.113 31.229 67.071 1.00 0.00 WT1 H ATOM 13306 OH2 TIP3 3825 32.800 37.033 -7.257 1.00 0.00 WT1 O ATOM 13307 H1 TIP3 3825 33.577 37.492 -6.937 1.00 0.00 WT1 H ATOM 13308 H2 TIP3 3825 33.147 36.313 -7.784 1.00 0.00 WT1 H ATOM 13309 OH2 TIP3 3826 55.812 67.881 -4.678 1.00 0.00 WT1 O ATOM 13310 H1 TIP3 3826 56.246 67.309 -4.045 1.00 0.00 WT1 H ATOM 13311 H2 TIP3 3826 54.895 67.608 -4.658 1.00 0.00 WT1 H ATOM 13312 OH2 TIP3 3827 68.910 24.564 33.287 1.00 0.00 WT1 O ATOM 13313 H1 TIP3 3827 69.703 25.097 33.220 1.00 0.00 WT1 H ATOM 13314 H2 TIP3 3827 68.265 25.028 32.753 1.00 0.00 WT1 H ATOM 13315 OH2 TIP3 3828 84.641 52.315 2.246 1.00 0.00 WT1 O ATOM 13316 H1 TIP3 3828 84.495 53.232 2.014 1.00 0.00 WT1 H ATOM 13317 H2 TIP3 3828 84.932 52.342 3.158 1.00 0.00 WT1 H ATOM 13318 OH2 TIP3 3829 48.873 57.810 2.695 1.00 0.00 WT1 O ATOM 13319 H1 TIP3 3829 48.468 58.677 2.648 1.00 0.00 WT1 H ATOM 13320 H2 TIP3 3829 49.734 57.968 3.082 1.00 0.00 WT1 H ATOM 13321 OH2 TIP3 3830 30.733 66.066 40.316 1.00 0.00 WT1 O ATOM 13322 H1 TIP3 3830 30.185 66.847 40.239 1.00 0.00 WT1 H ATOM 13323 H2 TIP3 3830 30.264 65.394 39.821 1.00 0.00 WT1 H ATOM 13324 OH2 TIP3 3832 40.744 76.088 29.422 1.00 0.00 WT1 O ATOM 13325 H1 TIP3 3832 40.523 76.474 30.269 1.00 0.00 WT1 H ATOM 13326 H2 TIP3 3832 41.226 75.290 29.640 1.00 0.00 WT1 H ATOM 13327 OH2 TIP3 3833 54.519 18.536 18.397 1.00 0.00 WT1 O ATOM 13328 H1 TIP3 3833 55.194 19.000 17.901 1.00 0.00 WT1 H ATOM 13329 H2 TIP3 3833 53.908 19.221 18.670 1.00 0.00 WT1 H ATOM 13330 OH2 TIP3 3836 83.139 90.603 16.283 1.00 0.00 WT1 O ATOM 13331 H1 TIP3 3836 82.610 90.853 17.040 1.00 0.00 WT1 H ATOM 13332 H2 TIP3 3836 83.961 90.288 16.658 1.00 0.00 WT1 H ATOM 13333 OH2 TIP3 3837 57.897 28.635 20.209 1.00 0.00 WT1 O ATOM 13334 H1 TIP3 3837 57.129 28.666 20.780 1.00 0.00 WT1 H ATOM 13335 H2 TIP3 3837 58.265 29.517 20.255 1.00 0.00 WT1 H ATOM 13336 OH2 TIP3 3839 26.519 53.805 49.012 1.00 0.00 WT1 O ATOM 13337 H1 TIP3 3839 26.724 53.376 48.181 1.00 0.00 WT1 H ATOM 13338 H2 TIP3 3839 26.128 53.115 49.548 1.00 0.00 WT1 H ATOM 13339 OH2 TIP3 3841 87.972 36.015 -4.100 1.00 0.00 WT1 O ATOM 13340 H1 TIP3 3841 88.085 36.857 -3.659 1.00 0.00 WT1 H ATOM 13341 H2 TIP3 3841 87.152 35.668 -3.750 1.00 0.00 WT1 H ATOM 13342 OH2 TIP3 3844 87.580 31.185 62.148 1.00 0.00 WT1 O ATOM 13343 H1 TIP3 3844 88.410 31.236 61.674 1.00 0.00 WT1 H ATOM 13344 H2 TIP3 3844 87.705 30.471 62.774 1.00 0.00 WT1 H ATOM 13345 OH2 TIP3 3845 43.791 59.660 1.862 1.00 0.00 WT1 O ATOM 13346 H1 TIP3 3845 44.436 60.343 1.676 1.00 0.00 WT1 H ATOM 13347 H2 TIP3 3845 43.822 59.553 2.813 1.00 0.00 WT1 H ATOM 13348 OH2 TIP3 3846 81.580 34.933 -7.915 1.00 0.00 WT1 O ATOM 13349 H1 TIP3 3846 81.247 34.036 -7.948 1.00 0.00 WT1 H ATOM 13350 H2 TIP3 3846 81.732 35.098 -6.984 1.00 0.00 WT1 H ATOM 13351 OH2 TIP3 3847 19.920 69.806 14.928 1.00 0.00 WT1 O ATOM 13352 H1 TIP3 3847 20.476 70.352 15.483 1.00 0.00 WT1 H ATOM 13353 H2 TIP3 3847 20.531 69.233 14.465 1.00 0.00 WT1 H ATOM 13354 OH2 TIP3 3848 21.458 80.817 30.931 1.00 0.00 WT1 O ATOM 13355 H1 TIP3 3848 21.153 80.056 30.437 1.00 0.00 WT1 H ATOM 13356 H2 TIP3 3848 21.986 81.313 30.305 1.00 0.00 WT1 H ATOM 13357 OH2 TIP3 3849 59.697 18.759 -8.006 1.00 0.00 WT1 O ATOM 13358 H1 TIP3 3849 59.701 17.951 -7.492 1.00 0.00 WT1 H ATOM 13359 H2 TIP3 3849 59.674 18.465 -8.916 1.00 0.00 WT1 H ATOM 13360 OH2 TIP3 3851 43.011 42.124 -5.571 1.00 0.00 WT1 O ATOM 13361 H1 TIP3 3851 43.942 42.222 -5.373 1.00 0.00 WT1 H ATOM 13362 H2 TIP3 3851 42.651 41.668 -4.810 1.00 0.00 WT1 H ATOM 13363 OH2 TIP3 3852 67.725 85.142 26.313 1.00 0.00 WT1 O ATOM 13364 H1 TIP3 3852 67.358 84.996 25.441 1.00 0.00 WT1 H ATOM 13365 H2 TIP3 3852 66.961 85.265 26.876 1.00 0.00 WT1 H ATOM 13366 OH2 TIP3 3853 86.204 22.335 -18.673 1.00 0.00 WT1 O ATOM 13367 H1 TIP3 3853 85.277 22.413 -18.897 1.00 0.00 WT1 H ATOM 13368 H2 TIP3 3853 86.400 21.404 -18.784 1.00 0.00 WT1 H ATOM 13369 OH2 TIP3 3854 63.705 51.910 9.170 1.00 0.00 WT1 O ATOM 13370 H1 TIP3 3854 62.985 52.533 9.073 1.00 0.00 WT1 H ATOM 13371 H2 TIP3 3854 63.480 51.402 9.949 1.00 0.00 WT1 H ATOM 13372 OH2 TIP3 3856 30.312 44.092 65.526 1.00 0.00 WT1 O ATOM 13373 H1 TIP3 3856 30.396 45.039 65.414 1.00 0.00 WT1 H ATOM 13374 H2 TIP3 3856 31.050 43.850 66.085 1.00 0.00 WT1 H ATOM 13375 OH2 TIP3 3860 20.487 21.343 -7.900 1.00 0.00 WT1 O ATOM 13376 H1 TIP3 3860 19.830 20.735 -7.563 1.00 0.00 WT1 H ATOM 13377 H2 TIP3 3860 21.232 21.245 -7.307 1.00 0.00 WT1 H ATOM 13378 OH2 TIP3 3863 84.522 62.214 65.448 1.00 0.00 WT1 O ATOM 13379 H1 TIP3 3863 84.545 62.822 66.187 1.00 0.00 WT1 H ATOM 13380 H2 TIP3 3863 85.388 61.805 65.446 1.00 0.00 WT1 H ATOM 13381 OH2 TIP3 3865 45.845 54.245 -1.913 1.00 0.00 WT1 O ATOM 13382 H1 TIP3 3865 46.325 53.820 -1.202 1.00 0.00 WT1 H ATOM 13383 H2 TIP3 3865 44.984 53.828 -1.905 1.00 0.00 WT1 H ATOM 13384 OH2 TIP3 3866 85.982 63.164 55.246 1.00 0.00 WT1 O ATOM 13385 H1 TIP3 3866 86.146 62.220 55.256 1.00 0.00 WT1 H ATOM 13386 H2 TIP3 3866 85.572 63.327 54.397 1.00 0.00 WT1 H ATOM 13387 OH2 TIP3 3867 40.621 27.089 15.419 1.00 0.00 WT1 O ATOM 13388 H1 TIP3 3867 40.063 26.356 15.159 1.00 0.00 WT1 H ATOM 13389 H2 TIP3 3867 40.601 27.079 16.376 1.00 0.00 WT1 H ATOM 13390 OH2 TIP3 3868 75.237 75.481 0.212 1.00 0.00 WT1 O ATOM 13391 H1 TIP3 3868 75.995 76.027 0.005 1.00 0.00 WT1 H ATOM 13392 H2 TIP3 3868 75.529 74.587 0.033 1.00 0.00 WT1 H ATOM 13393 OH2 TIP3 3869 78.665 35.740 60.959 1.00 0.00 WT1 O ATOM 13394 H1 TIP3 3869 77.916 35.211 61.233 1.00 0.00 WT1 H ATOM 13395 H2 TIP3 3869 78.755 35.562 60.023 1.00 0.00 WT1 H ATOM 13396 OH2 TIP3 3870 22.429 49.742 -9.435 1.00 0.00 WT1 O ATOM 13397 H1 TIP3 3870 21.971 49.666 -10.272 1.00 0.00 WT1 H ATOM 13398 H2 TIP3 3870 21.742 49.646 -8.775 1.00 0.00 WT1 H ATOM 13399 OH2 TIP3 3871 70.798 84.549 5.616 1.00 0.00 WT1 O ATOM 13400 H1 TIP3 3871 69.990 85.062 5.596 1.00 0.00 WT1 H ATOM 13401 H2 TIP3 3871 70.541 83.684 5.297 1.00 0.00 WT1 H ATOM 13402 OH2 TIP3 3873 44.109 42.882 8.499 1.00 0.00 WT1 O ATOM 13403 H1 TIP3 3873 44.611 43.381 9.143 1.00 0.00 WT1 H ATOM 13404 H2 TIP3 3873 43.916 43.512 7.805 1.00 0.00 WT1 H ATOM 13405 OH2 TIP3 3875 63.792 53.773 19.488 1.00 0.00 WT1 O ATOM 13406 H1 TIP3 3875 63.634 54.356 20.231 1.00 0.00 WT1 H ATOM 13407 H2 TIP3 3875 63.192 54.082 18.809 1.00 0.00 WT1 H ATOM 13408 OH2 TIP3 3877 77.976 64.881 -0.883 1.00 0.00 WT1 O ATOM 13409 H1 TIP3 3877 78.025 64.464 -0.022 1.00 0.00 WT1 H ATOM 13410 H2 TIP3 3877 77.583 64.216 -1.449 1.00 0.00 WT1 H ATOM 13411 OH2 TIP3 3882 41.535 63.698 -6.331 1.00 0.00 WT1 O ATOM 13412 H1 TIP3 3882 41.288 64.408 -5.738 1.00 0.00 WT1 H ATOM 13413 H2 TIP3 3882 40.723 63.211 -6.473 1.00 0.00 WT1 H ATOM 13414 OH2 TIP3 3883 57.082 89.837 -12.560 1.00 0.00 WT1 O ATOM 13415 H1 TIP3 3883 57.817 90.327 -12.928 1.00 0.00 WT1 H ATOM 13416 H2 TIP3 3883 57.152 88.968 -12.955 1.00 0.00 WT1 H ATOM 13417 OH2 TIP3 3885 47.404 18.416 54.336 1.00 0.00 WT1 O ATOM 13418 H1 TIP3 3885 47.324 18.526 53.389 1.00 0.00 WT1 H ATOM 13419 H2 TIP3 3885 46.656 17.871 54.578 1.00 0.00 WT1 H ATOM 13420 OH2 TIP3 3886 59.323 29.354 -5.818 1.00 0.00 WT1 O ATOM 13421 H1 TIP3 3886 58.797 30.127 -6.023 1.00 0.00 WT1 H ATOM 13422 H2 TIP3 3886 58.825 28.897 -5.140 1.00 0.00 WT1 H ATOM 13423 OH2 TIP3 3888 56.845 45.154 -2.838 1.00 0.00 WT1 O ATOM 13424 H1 TIP3 3888 56.166 45.431 -2.223 1.00 0.00 WT1 H ATOM 13425 H2 TIP3 3888 56.517 45.424 -3.696 1.00 0.00 WT1 H ATOM 13426 OH2 TIP3 3889 25.259 91.542 -4.129 1.00 0.00 WT1 O ATOM 13427 H1 TIP3 3889 24.903 90.663 -4.005 1.00 0.00 WT1 H ATOM 13428 H2 TIP3 3889 26.206 91.413 -4.185 1.00 0.00 WT1 H ATOM 13429 OH2 TIP3 3890 89.522 44.415 8.736 1.00 0.00 WT1 O ATOM 13430 H1 TIP3 3890 88.762 44.775 9.192 1.00 0.00 WT1 H ATOM 13431 H2 TIP3 3890 89.181 43.657 8.262 1.00 0.00 WT1 H ATOM 13432 OH2 TIP3 3891 68.861 72.352 -12.773 1.00 0.00 WT1 O ATOM 13433 H1 TIP3 3891 69.729 71.988 -12.944 1.00 0.00 WT1 H ATOM 13434 H2 TIP3 3891 68.795 72.378 -11.819 1.00 0.00 WT1 H ATOM 13435 OH2 TIP3 3892 53.351 28.993 16.075 1.00 0.00 WT1 O ATOM 13436 H1 TIP3 3892 52.963 28.297 16.605 1.00 0.00 WT1 H ATOM 13437 H2 TIP3 3892 52.626 29.591 15.897 1.00 0.00 WT1 H ATOM 13438 OH2 TIP3 3896 86.056 74.825 50.179 1.00 0.00 WT1 O ATOM 13439 H1 TIP3 3896 85.198 74.511 49.892 1.00 0.00 WT1 H ATOM 13440 H2 TIP3 3896 86.077 75.744 49.910 1.00 0.00 WT1 H ATOM 13441 OH2 TIP3 3898 72.717 43.733 -10.693 1.00 0.00 WT1 O ATOM 13442 H1 TIP3 3898 72.587 43.240 -9.882 1.00 0.00 WT1 H ATOM 13443 H2 TIP3 3898 71.834 43.970 -10.975 1.00 0.00 WT1 H ATOM 13444 OH2 TIP3 3899 32.216 30.700 -3.048 1.00 0.00 WT1 O ATOM 13445 H1 TIP3 3899 31.760 30.370 -3.822 1.00 0.00 WT1 H ATOM 13446 H2 TIP3 3899 31.710 30.363 -2.309 1.00 0.00 WT1 H ATOM 13447 OH2 TIP3 3900 47.565 37.031 28.805 1.00 0.00 WT1 O ATOM 13448 H1 TIP3 3900 48.201 37.253 28.125 1.00 0.00 WT1 H ATOM 13449 H2 TIP3 3900 46.713 37.137 28.382 1.00 0.00 WT1 H ATOM 13450 OH2 TIP3 3903 82.087 86.240 5.393 1.00 0.00 WT1 O ATOM 13451 H1 TIP3 3903 81.494 85.924 6.075 1.00 0.00 WT1 H ATOM 13452 H2 TIP3 3903 82.945 86.268 5.816 1.00 0.00 WT1 H ATOM 13453 OH2 TIP3 3906 71.903 85.791 57.276 1.00 0.00 WT1 O ATOM 13454 H1 TIP3 3906 71.139 85.377 57.676 1.00 0.00 WT1 H ATOM 13455 H2 TIP3 3906 72.397 85.065 56.894 1.00 0.00 WT1 H ATOM 13456 OH2 TIP3 3907 28.540 59.172 2.168 1.00 0.00 WT1 O ATOM 13457 H1 TIP3 3907 27.964 58.455 2.435 1.00 0.00 WT1 H ATOM 13458 H2 TIP3 3907 29.076 59.349 2.941 1.00 0.00 WT1 H ATOM 13459 OH2 TIP3 3908 29.948 36.386 17.128 1.00 0.00 WT1 O ATOM 13460 H1 TIP3 3908 30.859 36.121 17.255 1.00 0.00 WT1 H ATOM 13461 H2 TIP3 3908 30.003 37.268 16.761 1.00 0.00 WT1 H ATOM 13462 OH2 TIP3 3909 23.383 18.763 -14.740 1.00 0.00 WT1 O ATOM 13463 H1 TIP3 3909 22.691 19.240 -15.198 1.00 0.00 WT1 H ATOM 13464 H2 TIP3 3909 23.100 18.749 -13.825 1.00 0.00 WT1 H ATOM 13465 OH2 TIP3 3910 27.488 27.829 43.991 1.00 0.00 WT1 O ATOM 13466 H1 TIP3 3910 27.944 27.587 43.185 1.00 0.00 WT1 H ATOM 13467 H2 TIP3 3910 28.068 28.462 44.414 1.00 0.00 WT1 H ATOM 13468 OH2 TIP3 3912 53.548 21.819 7.292 1.00 0.00 WT1 O ATOM 13469 H1 TIP3 3912 53.437 22.765 7.198 1.00 0.00 WT1 H ATOM 13470 H2 TIP3 3912 54.179 21.721 8.006 1.00 0.00 WT1 H ATOM 13471 OH2 TIP3 3913 88.873 57.067 -12.740 1.00 0.00 WT1 O ATOM 13472 H1 TIP3 3913 89.418 56.389 -13.138 1.00 0.00 WT1 H ATOM 13473 H2 TIP3 3913 89.473 57.558 -12.178 1.00 0.00 WT1 H ATOM 13474 OH2 TIP3 3916 82.600 63.230 12.948 1.00 0.00 WT1 O ATOM 13475 H1 TIP3 3916 81.968 62.709 12.454 1.00 0.00 WT1 H ATOM 13476 H2 TIP3 3916 82.534 62.901 13.844 1.00 0.00 WT1 H ATOM 13477 OH2 TIP3 3918 73.349 86.244 -13.353 1.00 0.00 WT1 O ATOM 13478 H1 TIP3 3918 73.427 86.718 -14.181 1.00 0.00 WT1 H ATOM 13479 H2 TIP3 3918 72.646 85.612 -13.503 1.00 0.00 WT1 H ATOM 13480 OH2 TIP3 3919 47.315 6.044 -4.544 1.00 0.00 WT1 O ATOM 13481 H1 TIP3 3919 47.989 6.534 -5.014 1.00 0.00 WT1 H ATOM 13482 H2 TIP3 3919 46.750 6.717 -4.164 1.00 0.00 WT1 H ATOM 13483 OH2 TIP3 3924 58.540 35.036 5.113 1.00 0.00 WT1 O ATOM 13484 H1 TIP3 3924 57.868 35.117 4.436 1.00 0.00 WT1 H ATOM 13485 H2 TIP3 3924 58.334 35.730 5.739 1.00 0.00 WT1 H ATOM 13486 OH2 TIP3 3925 29.884 8.687 40.389 1.00 0.00 WT1 O ATOM 13487 H1 TIP3 3925 29.951 7.873 39.889 1.00 0.00 WT1 H ATOM 13488 H2 TIP3 3925 30.163 9.368 39.777 1.00 0.00 WT1 H ATOM 13489 OH2 TIP3 3926 25.170 14.138 32.589 1.00 0.00 WT1 O ATOM 13490 H1 TIP3 3926 24.466 14.018 33.226 1.00 0.00 WT1 H ATOM 13491 H2 TIP3 3926 25.133 13.354 32.040 1.00 0.00 WT1 H ATOM 13492 OH2 TIP3 3928 31.160 69.579 -4.079 1.00 0.00 WT1 O ATOM 13493 H1 TIP3 3928 31.209 69.247 -3.183 1.00 0.00 WT1 H ATOM 13494 H2 TIP3 3928 31.824 69.081 -4.557 1.00 0.00 WT1 H ATOM 13495 OH2 TIP3 3929 22.322 36.564 -17.521 1.00 0.00 WT1 O ATOM 13496 H1 TIP3 3929 22.483 37.508 -17.509 1.00 0.00 WT1 H ATOM 13497 H2 TIP3 3929 21.402 36.475 -17.275 1.00 0.00 WT1 H ATOM 13498 OH2 TIP3 3930 32.490 91.511 19.844 1.00 0.00 WT1 O ATOM 13499 H1 TIP3 3930 31.718 91.749 20.357 1.00 0.00 WT1 H ATOM 13500 H2 TIP3 3930 32.284 90.646 19.488 1.00 0.00 WT1 H ATOM 13501 OH2 TIP3 3931 39.456 0.501 40.190 1.00 0.00 WT1 O ATOM 13502 H1 TIP3 3931 39.536 1.435 39.998 1.00 0.00 WT1 H ATOM 13503 H2 TIP3 3931 40.108 0.084 39.627 1.00 0.00 WT1 H ATOM 13504 OH2 TIP3 3932 33.841 49.709 20.851 1.00 0.00 WT1 O ATOM 13505 H1 TIP3 3932 34.760 49.711 20.582 1.00 0.00 WT1 H ATOM 13506 H2 TIP3 3932 33.414 50.317 20.248 1.00 0.00 WT1 H ATOM 13507 OH2 TIP3 3933 48.973 46.192 -19.433 1.00 0.00 WT1 O ATOM 13508 H1 TIP3 3933 49.346 46.787 -18.783 1.00 0.00 WT1 H ATOM 13509 H2 TIP3 3933 49.407 45.354 -19.267 1.00 0.00 WT1 H ATOM 13510 OH2 TIP3 3934 72.452 22.212 63.168 1.00 0.00 WT1 O ATOM 13511 H1 TIP3 3934 71.724 22.788 63.402 1.00 0.00 WT1 H ATOM 13512 H2 TIP3 3934 72.057 21.342 63.104 1.00 0.00 WT1 H ATOM 13513 OH2 TIP3 3935 21.858 0.242 57.161 1.00 0.00 WT1 O ATOM 13514 H1 TIP3 3935 22.634 0.443 57.684 1.00 0.00 WT1 H ATOM 13515 H2 TIP3 3935 22.031 0.644 56.310 1.00 0.00 WT1 H ATOM 13516 OH2 TIP3 3938 62.492 94.495 18.487 1.00 0.00 WT1 O ATOM 13517 H1 TIP3 3938 61.649 94.238 18.861 1.00 0.00 WT1 H ATOM 13518 H2 TIP3 3938 62.412 94.295 17.555 1.00 0.00 WT1 H ATOM 13519 OH2 TIP3 3943 50.508 23.849 51.367 1.00 0.00 WT1 O ATOM 13520 H1 TIP3 3943 50.393 23.288 50.600 1.00 0.00 WT1 H ATOM 13521 H2 TIP3 3943 49.617 24.035 51.664 1.00 0.00 WT1 H ATOM 13522 OH2 TIP3 3949 22.166 55.603 43.267 1.00 0.00 WT1 O ATOM 13523 H1 TIP3 3949 21.375 55.712 42.739 1.00 0.00 WT1 H ATOM 13524 H2 TIP3 3949 21.905 55.873 44.148 1.00 0.00 WT1 H ATOM 13525 OH2 TIP3 3950 63.200 76.535 36.691 1.00 0.00 WT1 O ATOM 13526 H1 TIP3 3950 63.047 75.853 37.345 1.00 0.00 WT1 H ATOM 13527 H2 TIP3 3950 62.981 76.121 35.857 1.00 0.00 WT1 H ATOM 13528 OH2 TIP3 3951 77.209 7.144 -19.227 1.00 0.00 WT1 O ATOM 13529 H1 TIP3 3951 77.984 6.804 -19.675 1.00 0.00 WT1 H ATOM 13530 H2 TIP3 3951 76.668 7.509 -19.928 1.00 0.00 WT1 H ATOM 13531 OH2 TIP3 3953 64.044 91.041 34.699 1.00 0.00 WT1 O ATOM 13532 H1 TIP3 3953 64.566 90.433 35.223 1.00 0.00 WT1 H ATOM 13533 H2 TIP3 3953 63.700 91.670 35.332 1.00 0.00 WT1 H ATOM 13534 OH2 TIP3 3954 55.661 53.006 22.020 1.00 0.00 WT1 O ATOM 13535 H1 TIP3 3954 55.011 52.335 22.228 1.00 0.00 WT1 H ATOM 13536 H2 TIP3 3954 56.295 52.561 21.459 1.00 0.00 WT1 H ATOM 13537 OH2 TIP3 3955 40.941 85.970 58.814 1.00 0.00 WT1 O ATOM 13538 H1 TIP3 3955 41.356 85.109 58.776 1.00 0.00 WT1 H ATOM 13539 H2 TIP3 3955 40.003 85.787 58.780 1.00 0.00 WT1 H ATOM 13540 OH2 TIP3 3956 73.572 87.210 9.926 1.00 0.00 WT1 O ATOM 13541 H1 TIP3 3956 73.653 86.730 9.102 1.00 0.00 WT1 H ATOM 13542 H2 TIP3 3956 74.049 86.677 10.562 1.00 0.00 WT1 H ATOM 13543 OH2 TIP3 3957 66.465 95.984 36.790 1.00 0.00 WT1 O ATOM 13544 H1 TIP3 3957 67.238 96.472 36.506 1.00 0.00 WT1 H ATOM 13545 H2 TIP3 3957 65.734 96.413 36.345 1.00 0.00 WT1 H ATOM 13546 OH2 TIP3 3962 45.126 36.334 34.813 1.00 0.00 WT1 O ATOM 13547 H1 TIP3 3962 46.078 36.279 34.735 1.00 0.00 WT1 H ATOM 13548 H2 TIP3 3962 44.862 36.927 34.110 1.00 0.00 WT1 H ATOM 13549 OH2 TIP3 3964 24.163 92.283 9.112 1.00 0.00 WT1 O ATOM 13550 H1 TIP3 3964 23.321 92.145 8.679 1.00 0.00 WT1 H ATOM 13551 H2 TIP3 3964 24.091 93.154 9.503 1.00 0.00 WT1 H ATOM 13552 OH2 TIP3 3965 27.908 19.610 0.213 1.00 0.00 WT1 O ATOM 13553 H1 TIP3 3965 27.917 20.351 0.819 1.00 0.00 WT1 H ATOM 13554 H2 TIP3 3965 27.958 18.838 0.777 1.00 0.00 WT1 H ATOM 13555 OH2 TIP3 3966 25.696 42.960 29.407 1.00 0.00 WT1 O ATOM 13556 H1 TIP3 3966 25.385 43.844 29.211 1.00 0.00 WT1 H ATOM 13557 H2 TIP3 3966 25.938 42.596 28.556 1.00 0.00 WT1 H ATOM 13558 OH2 TIP3 3967 24.092 57.091 23.237 1.00 0.00 WT1 O ATOM 13559 H1 TIP3 3967 24.586 57.910 23.251 1.00 0.00 WT1 H ATOM 13560 H2 TIP3 3967 24.728 56.431 22.962 1.00 0.00 WT1 H ATOM 13561 OH2 TIP3 3968 25.621 33.010 33.513 1.00 0.00 WT1 O ATOM 13562 H1 TIP3 3968 25.537 32.094 33.776 1.00 0.00 WT1 H ATOM 13563 H2 TIP3 3968 24.888 33.157 32.916 1.00 0.00 WT1 H ATOM 13564 OH2 TIP3 3971 31.853 86.656 47.118 1.00 0.00 WT1 O ATOM 13565 H1 TIP3 3971 31.001 86.275 47.328 1.00 0.00 WT1 H ATOM 13566 H2 TIP3 3971 31.674 87.587 46.986 1.00 0.00 WT1 H ATOM 13567 OH2 TIP3 3972 20.433 73.439 9.658 1.00 0.00 WT1 O ATOM 13568 H1 TIP3 3972 21.243 73.797 10.020 1.00 0.00 WT1 H ATOM 13569 H2 TIP3 3972 20.043 72.949 10.382 1.00 0.00 WT1 H ATOM 13570 OH2 TIP3 3973 53.889 70.243 45.255 1.00 0.00 WT1 O ATOM 13571 H1 TIP3 3973 53.082 70.270 44.741 1.00 0.00 WT1 H ATOM 13572 H2 TIP3 3973 54.441 70.925 44.871 1.00 0.00 WT1 H ATOM 13573 OH2 TIP3 3974 42.689 10.155 -3.208 1.00 0.00 WT1 O ATOM 13574 H1 TIP3 3974 43.181 9.814 -3.955 1.00 0.00 WT1 H ATOM 13575 H2 TIP3 3974 42.125 9.430 -2.940 1.00 0.00 WT1 H ATOM 13576 OH2 TIP3 3975 30.023 92.305 59.710 1.00 0.00 WT1 O ATOM 13577 H1 TIP3 3975 29.608 93.164 59.790 1.00 0.00 WT1 H ATOM 13578 H2 TIP3 3975 29.440 91.808 59.136 1.00 0.00 WT1 H ATOM 13579 OH2 TIP3 3976 27.890 94.786 17.948 1.00 0.00 WT1 O ATOM 13580 H1 TIP3 3976 28.700 95.006 18.409 1.00 0.00 WT1 H ATOM 13581 H2 TIP3 3976 28.181 94.332 17.157 1.00 0.00 WT1 H ATOM 13582 OH2 TIP3 3977 57.986 73.308 4.969 1.00 0.00 WT1 O ATOM 13583 H1 TIP3 3977 58.840 73.474 5.369 1.00 0.00 WT1 H ATOM 13584 H2 TIP3 3977 57.466 72.912 5.668 1.00 0.00 WT1 H ATOM 13585 OH2 TIP3 3978 78.484 27.501 50.341 1.00 0.00 WT1 O ATOM 13586 H1 TIP3 3978 78.782 27.700 51.229 1.00 0.00 WT1 H ATOM 13587 H2 TIP3 3978 79.285 27.490 49.817 1.00 0.00 WT1 H ATOM 13588 OH2 TIP3 3982 20.868 82.109 55.308 1.00 0.00 WT1 O ATOM 13589 H1 TIP3 3982 20.953 81.484 54.588 1.00 0.00 WT1 H ATOM 13590 H2 TIP3 3982 20.423 82.863 54.920 1.00 0.00 WT1 H ATOM 13591 OH2 TIP3 3983 46.207 9.680 17.951 1.00 0.00 WT1 O ATOM 13592 H1 TIP3 3983 46.346 10.611 18.126 1.00 0.00 WT1 H ATOM 13593 H2 TIP3 3983 45.508 9.661 17.297 1.00 0.00 WT1 H ATOM 13594 OH2 TIP3 3985 23.862 29.273 59.324 1.00 0.00 WT1 O ATOM 13595 H1 TIP3 3985 23.936 30.221 59.434 1.00 0.00 WT1 H ATOM 13596 H2 TIP3 3985 23.713 28.940 60.209 1.00 0.00 WT1 H ATOM 13597 OH2 TIP3 3986 39.147 19.380 -11.942 1.00 0.00 WT1 O ATOM 13598 H1 TIP3 3986 38.518 19.206 -12.642 1.00 0.00 WT1 H ATOM 13599 H2 TIP3 3986 38.690 19.126 -11.140 1.00 0.00 WT1 H ATOM 13600 OH2 TIP3 3988 73.505 51.724 50.539 1.00 0.00 WT1 O ATOM 13601 H1 TIP3 3988 73.763 51.565 49.631 1.00 0.00 WT1 H ATOM 13602 H2 TIP3 3988 72.600 51.414 50.590 1.00 0.00 WT1 H ATOM 13603 OH2 TIP3 3989 31.296 23.084 23.457 1.00 0.00 WT1 O ATOM 13604 H1 TIP3 3989 31.320 22.166 23.188 1.00 0.00 WT1 H ATOM 13605 H2 TIP3 3989 31.922 23.520 22.878 1.00 0.00 WT1 H ATOM 13606 OH2 TIP3 3990 37.430 49.022 4.258 1.00 0.00 WT1 O ATOM 13607 H1 TIP3 3990 37.255 48.221 4.751 1.00 0.00 WT1 H ATOM 13608 H2 TIP3 3990 38.353 49.211 4.427 1.00 0.00 WT1 H ATOM 13609 OH2 TIP3 3991 79.148 9.017 -5.808 1.00 0.00 WT1 O ATOM 13610 H1 TIP3 3991 79.721 8.372 -6.222 1.00 0.00 WT1 H ATOM 13611 H2 TIP3 3991 79.159 8.786 -4.879 1.00 0.00 WT1 H ATOM 13612 OH2 TIP3 3992 49.687 2.007 -4.067 1.00 0.00 WT1 O ATOM 13613 H1 TIP3 3992 49.648 1.562 -3.220 1.00 0.00 WT1 H ATOM 13614 H2 TIP3 3992 50.146 1.393 -4.640 1.00 0.00 WT1 H ATOM 13615 OH2 TIP3 3993 32.801 2.354 38.562 1.00 0.00 WT1 O ATOM 13616 H1 TIP3 3993 32.806 3.247 38.217 1.00 0.00 WT1 H ATOM 13617 H2 TIP3 3993 33.659 2.000 38.326 1.00 0.00 WT1 H ATOM 13618 OH2 TIP3 3995 58.681 6.498 45.402 1.00 0.00 WT1 O ATOM 13619 H1 TIP3 3995 58.039 6.772 44.748 1.00 0.00 WT1 H ATOM 13620 H2 TIP3 3995 59.282 5.927 44.925 1.00 0.00 WT1 H ATOM 13621 OH2 TIP3 3996 57.769 61.273 -15.135 1.00 0.00 WT1 O ATOM 13622 H1 TIP3 3996 56.831 61.371 -14.969 1.00 0.00 WT1 H ATOM 13623 H2 TIP3 3996 57.972 61.953 -15.777 1.00 0.00 WT1 H ATOM 13624 OH2 TIP3 3997 43.568 94.411 5.643 1.00 0.00 WT1 O ATOM 13625 H1 TIP3 3997 43.823 95.249 6.029 1.00 0.00 WT1 H ATOM 13626 H2 TIP3 3997 43.273 94.635 4.760 1.00 0.00 WT1 H ATOM 13627 OH2 TIP3 3998 78.956 5.111 2.201 1.00 0.00 WT1 O ATOM 13628 H1 TIP3 3998 78.907 4.603 3.011 1.00 0.00 WT1 H ATOM 13629 H2 TIP3 3998 78.883 6.022 2.485 1.00 0.00 WT1 H ATOM 13630 OH2 TIP3 3999 20.694 34.720 45.385 1.00 0.00 WT1 O ATOM 13631 H1 TIP3 3999 19.883 34.436 44.963 1.00 0.00 WT1 H ATOM 13632 H2 TIP3 3999 20.738 35.661 45.212 1.00 0.00 WT1 H ATOM 13633 OH2 TIP3 4000 21.094 25.717 4.203 1.00 0.00 WT1 O ATOM 13634 H1 TIP3 4000 21.671 25.672 4.966 1.00 0.00 WT1 H ATOM 13635 H2 TIP3 4000 20.375 26.285 4.479 1.00 0.00 WT1 H ATOM 13636 OH2 TIP3 4002 63.210 93.258 9.555 1.00 0.00 WT1 O ATOM 13637 H1 TIP3 4002 62.523 92.646 9.292 1.00 0.00 WT1 H ATOM 13638 H2 TIP3 4002 62.893 93.636 10.376 1.00 0.00 WT1 H ATOM 13639 OH2 TIP3 4004 42.691 95.016 -4.757 1.00 0.00 WT1 O ATOM 13640 H1 TIP3 4004 42.218 94.192 -4.871 1.00 0.00 WT1 H ATOM 13641 H2 TIP3 4004 42.105 95.558 -4.228 1.00 0.00 WT1 H ATOM 13642 OH2 TIP3 4005 23.862 74.812 31.563 1.00 0.00 WT1 O ATOM 13643 H1 TIP3 4005 23.097 74.344 31.894 1.00 0.00 WT1 H ATOM 13644 H2 TIP3 4005 24.528 74.134 31.450 1.00 0.00 WT1 H ATOM 13645 OH2 TIP3 4006 72.099 5.517 3.770 1.00 0.00 WT1 O ATOM 13646 H1 TIP3 4006 72.534 5.349 2.933 1.00 0.00 WT1 H ATOM 13647 H2 TIP3 4006 72.728 6.039 4.267 1.00 0.00 WT1 H ATOM 13648 OH2 TIP3 4007 69.931 93.136 -13.996 1.00 0.00 WT1 O ATOM 13649 H1 TIP3 4007 70.716 92.987 -13.469 1.00 0.00 WT1 H ATOM 13650 H2 TIP3 4007 69.374 92.379 -13.816 1.00 0.00 WT1 H ATOM 13651 OH2 TIP3 4008 56.071 33.641 55.799 1.00 0.00 WT1 O ATOM 13652 H1 TIP3 4008 56.566 34.388 55.463 1.00 0.00 WT1 H ATOM 13653 H2 TIP3 4008 55.314 33.573 55.218 1.00 0.00 WT1 H ATOM 13654 OH2 TIP3 4009 48.456 24.454 67.496 1.00 0.00 WT1 O ATOM 13655 H1 TIP3 4009 48.803 25.316 67.727 1.00 0.00 WT1 H ATOM 13656 H2 TIP3 4009 48.134 24.556 66.601 1.00 0.00 WT1 H ATOM 13657 OH2 TIP3 4010 55.375 2.138 26.887 1.00 0.00 WT1 O ATOM 13658 H1 TIP3 4010 54.450 2.372 26.805 1.00 0.00 WT1 H ATOM 13659 H2 TIP3 4010 55.745 2.818 27.450 1.00 0.00 WT1 H ATOM 13660 OH2 TIP3 4011 30.631 46.822 65.404 1.00 0.00 WT1 O ATOM 13661 H1 TIP3 4011 30.983 46.731 66.289 1.00 0.00 WT1 H ATOM 13662 H2 TIP3 4011 31.033 47.622 65.067 1.00 0.00 WT1 H ATOM 13663 OH2 TIP3 4012 42.781 14.381 31.286 1.00 0.00 WT1 O ATOM 13664 H1 TIP3 4012 43.650 14.087 31.014 1.00 0.00 WT1 H ATOM 13665 H2 TIP3 4012 42.397 14.759 30.494 1.00 0.00 WT1 H ATOM 13666 OH2 TIP3 4013 58.814 85.476 28.105 1.00 0.00 WT1 O ATOM 13667 H1 TIP3 4013 59.382 84.837 28.536 1.00 0.00 WT1 H ATOM 13668 H2 TIP3 4013 58.584 86.097 28.797 1.00 0.00 WT1 H ATOM 13669 OH2 TIP3 4014 74.615 96.087 -1.475 1.00 0.00 WT1 O ATOM 13670 H1 TIP3 4014 73.848 96.217 -2.032 1.00 0.00 WT1 H ATOM 13671 H2 TIP3 4014 74.764 96.940 -1.068 1.00 0.00 WT1 H ATOM 13672 OH2 TIP3 4015 80.293 65.729 60.582 1.00 0.00 WT1 O ATOM 13673 H1 TIP3 4015 79.848 64.987 60.992 1.00 0.00 WT1 H ATOM 13674 H2 TIP3 4015 81.192 65.427 60.452 1.00 0.00 WT1 H ATOM 13675 OH2 TIP3 4016 76.156 9.609 64.065 1.00 0.00 WT1 O ATOM 13676 H1 TIP3 4016 76.418 10.262 64.715 1.00 0.00 WT1 H ATOM 13677 H2 TIP3 4016 75.446 10.028 63.578 1.00 0.00 WT1 H ATOM 13678 OH2 TIP3 4017 35.554 30.887 39.768 1.00 0.00 WT1 O ATOM 13679 H1 TIP3 4017 35.497 31.017 40.714 1.00 0.00 WT1 H ATOM 13680 H2 TIP3 4017 36.061 31.635 39.452 1.00 0.00 WT1 H ATOM 13681 OH2 TIP3 4018 41.351 28.568 21.449 1.00 0.00 WT1 O ATOM 13682 H1 TIP3 4018 40.437 28.732 21.682 1.00 0.00 WT1 H ATOM 13683 H2 TIP3 4018 41.795 28.449 22.288 1.00 0.00 WT1 H ATOM 13684 OH2 TIP3 4019 63.380 96.095 64.352 1.00 0.00 WT1 O ATOM 13685 H1 TIP3 4019 63.824 95.451 63.800 1.00 0.00 WT1 H ATOM 13686 H2 TIP3 4019 62.455 96.014 64.118 1.00 0.00 WT1 H ATOM 13687 OH2 TIP3 4020 48.750 95.567 31.106 1.00 0.00 WT1 O ATOM 13688 H1 TIP3 4020 48.569 96.434 30.744 1.00 0.00 WT1 H ATOM 13689 H2 TIP3 4020 48.759 94.986 30.345 1.00 0.00 WT1 H ATOM 13690 OH2 TIP3 4021 64.833 17.435 2.801 1.00 0.00 WT1 O ATOM 13691 H1 TIP3 4021 65.455 17.104 3.449 1.00 0.00 WT1 H ATOM 13692 H2 TIP3 4021 64.534 18.270 3.161 1.00 0.00 WT1 H ATOM 13693 OH2 TIP3 4022 36.076 0.890 1.473 1.00 0.00 WT1 O ATOM 13694 H1 TIP3 4022 36.731 1.016 0.786 1.00 0.00 WT1 H ATOM 13695 H2 TIP3 4022 36.367 1.456 2.188 1.00 0.00 WT1 H ATOM 13696 OH2 TIP3 4023 30.622 3.052 50.610 1.00 0.00 WT1 O ATOM 13697 H1 TIP3 4023 30.369 3.974 50.650 1.00 0.00 WT1 H ATOM 13698 H2 TIP3 4023 29.836 2.600 50.303 1.00 0.00 WT1 H ATOM 13699 OH2 TIP3 4025 62.779 80.863 47.646 1.00 0.00 WT1 O ATOM 13700 H1 TIP3 4025 63.280 81.576 48.044 1.00 0.00 WT1 H ATOM 13701 H2 TIP3 4025 61.961 81.273 47.364 1.00 0.00 WT1 H ATOM 13702 OH2 TIP3 4026 46.616 86.598 -11.135 1.00 0.00 WT1 O ATOM 13703 H1 TIP3 4026 46.910 86.757 -10.238 1.00 0.00 WT1 H ATOM 13704 H2 TIP3 4026 46.457 87.471 -11.494 1.00 0.00 WT1 H ATOM 13705 OH2 TIP3 4027 61.481 11.659 49.374 1.00 0.00 WT1 O ATOM 13706 H1 TIP3 4027 61.473 10.882 48.815 1.00 0.00 WT1 H ATOM 13707 H2 TIP3 4027 61.599 12.390 48.767 1.00 0.00 WT1 H ATOM 13708 OH2 TIP3 4028 38.040 31.731 30.234 1.00 0.00 WT1 O ATOM 13709 H1 TIP3 4028 38.242 31.505 31.141 1.00 0.00 WT1 H ATOM 13710 H2 TIP3 4028 37.269 32.294 30.292 1.00 0.00 WT1 H ATOM 13711 OH2 TIP3 4029 44.624 83.185 35.349 1.00 0.00 WT1 O ATOM 13712 H1 TIP3 4029 44.685 83.387 34.415 1.00 0.00 WT1 H ATOM 13713 H2 TIP3 4029 44.895 82.269 35.414 1.00 0.00 WT1 H ATOM 13714 OH2 TIP3 4030 56.285 76.982 -11.348 1.00 0.00 WT1 O ATOM 13715 H1 TIP3 4030 57.062 77.124 -10.807 1.00 0.00 WT1 H ATOM 13716 H2 TIP3 4030 56.338 76.062 -11.607 1.00 0.00 WT1 H ATOM 13717 OH2 TIP3 4031 41.752 62.366 42.512 1.00 0.00 WT1 O ATOM 13718 H1 TIP3 4031 42.516 61.865 42.798 1.00 0.00 WT1 H ATOM 13719 H2 TIP3 4031 41.796 63.179 43.015 1.00 0.00 WT1 H ATOM 13720 OH2 TIP3 4032 78.765 69.798 -10.797 1.00 0.00 WT1 O ATOM 13721 H1 TIP3 4032 78.323 69.252 -11.448 1.00 0.00 WT1 H ATOM 13722 H2 TIP3 4032 78.575 70.696 -11.068 1.00 0.00 WT1 H ATOM 13723 OH2 TIP3 4033 41.342 35.029 -0.741 1.00 0.00 WT1 O ATOM 13724 H1 TIP3 4033 41.313 35.152 -1.690 1.00 0.00 WT1 H ATOM 13725 H2 TIP3 4033 41.494 35.906 -0.390 1.00 0.00 WT1 H ATOM 13726 OH2 TIP3 4034 41.196 88.001 55.751 1.00 0.00 WT1 O ATOM 13727 H1 TIP3 4034 41.599 87.323 55.209 1.00 0.00 WT1 H ATOM 13728 H2 TIP3 4034 41.389 87.735 56.650 1.00 0.00 WT1 H ATOM 13729 OH2 TIP3 4035 65.029 1.574 3.178 1.00 0.00 WT1 O ATOM 13730 H1 TIP3 4035 65.744 1.897 3.726 1.00 0.00 WT1 H ATOM 13731 H2 TIP3 4035 64.812 2.313 2.608 1.00 0.00 WT1 H ATOM 13732 OH2 TIP3 4036 32.633 91.007 -15.016 1.00 0.00 WT1 O ATOM 13733 H1 TIP3 4036 33.427 90.927 -15.545 1.00 0.00 WT1 H ATOM 13734 H2 TIP3 4036 32.921 90.826 -14.121 1.00 0.00 WT1 H ATOM 13735 OH2 TIP3 4037 21.488 64.269 34.816 1.00 0.00 WT1 O ATOM 13736 H1 TIP3 4037 21.914 63.422 34.944 1.00 0.00 WT1 H ATOM 13737 H2 TIP3 4037 21.670 64.754 35.622 1.00 0.00 WT1 H ATOM 13738 OH2 TIP3 4039 49.036 82.609 2.248 1.00 0.00 WT1 O ATOM 13739 H1 TIP3 4039 48.699 82.199 3.045 1.00 0.00 WT1 H ATOM 13740 H2 TIP3 4039 49.242 81.875 1.669 1.00 0.00 WT1 H ATOM 13741 OH2 TIP3 4040 63.747 44.708 50.571 1.00 0.00 WT1 O ATOM 13742 H1 TIP3 4040 63.341 44.204 49.866 1.00 0.00 WT1 H ATOM 13743 H2 TIP3 4040 63.048 45.281 50.889 1.00 0.00 WT1 H ATOM 13744 OH2 TIP3 4041 43.656 5.623 -8.778 1.00 0.00 WT1 O ATOM 13745 H1 TIP3 4041 42.940 5.141 -9.191 1.00 0.00 WT1 H ATOM 13746 H2 TIP3 4041 43.590 5.403 -7.849 1.00 0.00 WT1 H ATOM 13747 OH2 TIP3 4042 60.079 91.925 27.152 1.00 0.00 WT1 O ATOM 13748 H1 TIP3 4042 59.635 91.142 26.827 1.00 0.00 WT1 H ATOM 13749 H2 TIP3 4042 60.890 91.970 26.645 1.00 0.00 WT1 H ATOM 13750 OH2 TIP3 4043 36.821 50.452 10.191 1.00 0.00 WT1 O ATOM 13751 H1 TIP3 4043 36.759 50.533 9.239 1.00 0.00 WT1 H ATOM 13752 H2 TIP3 4043 37.733 50.666 10.391 1.00 0.00 WT1 H ATOM 13753 OH2 TIP3 4044 61.901 89.897 33.284 1.00 0.00 WT1 O ATOM 13754 H1 TIP3 4044 61.140 90.472 33.368 1.00 0.00 WT1 H ATOM 13755 H2 TIP3 4044 62.516 90.215 33.945 1.00 0.00 WT1 H ATOM 13756 OH2 TIP3 4045 86.126 33.140 59.541 1.00 0.00 WT1 O ATOM 13757 H1 TIP3 4045 87.054 33.357 59.625 1.00 0.00 WT1 H ATOM 13758 H2 TIP3 4045 86.012 32.360 60.083 1.00 0.00 WT1 H ATOM 13759 OH2 TIP3 4046 46.841 94.524 55.543 1.00 0.00 WT1 O ATOM 13760 H1 TIP3 4046 46.923 94.897 54.666 1.00 0.00 WT1 H ATOM 13761 H2 TIP3 4046 45.984 94.097 55.544 1.00 0.00 WT1 H ATOM 13762 OH2 TIP3 4049 49.643 -0.183 41.374 1.00 0.00 WT1 O ATOM 13763 H1 TIP3 4049 49.758 0.729 41.640 1.00 0.00 WT1 H ATOM 13764 H2 TIP3 4049 49.174 -0.133 40.541 1.00 0.00 WT1 H ATOM 13765 OH2 TIP3 4050 48.752 83.641 62.589 1.00 0.00 WT1 O ATOM 13766 H1 TIP3 4050 48.194 83.204 63.232 1.00 0.00 WT1 H ATOM 13767 H2 TIP3 4050 49.630 83.605 62.969 1.00 0.00 WT1 H ATOM 13768 OH2 TIP3 4052 82.048 61.267 65.712 1.00 0.00 WT1 O ATOM 13769 H1 TIP3 4052 81.734 61.249 66.616 1.00 0.00 WT1 H ATOM 13770 H2 TIP3 4052 82.893 61.716 65.761 1.00 0.00 WT1 H ATOM 13771 OH2 TIP3 4053 85.521 13.511 1.517 1.00 0.00 WT1 O ATOM 13772 H1 TIP3 4053 86.237 13.720 2.118 1.00 0.00 WT1 H ATOM 13773 H2 TIP3 4053 84.741 13.489 2.072 1.00 0.00 WT1 H ATOM 13774 OH2 TIP3 4054 75.725 45.041 6.873 1.00 0.00 WT1 O ATOM 13775 H1 TIP3 4054 75.213 44.675 7.594 1.00 0.00 WT1 H ATOM 13776 H2 TIP3 4054 75.130 45.655 6.444 1.00 0.00 WT1 H ATOM 13777 OH2 TIP3 4055 32.358 54.572 61.510 1.00 0.00 WT1 O ATOM 13778 H1 TIP3 4055 31.581 54.013 61.526 1.00 0.00 WT1 H ATOM 13779 H2 TIP3 4055 32.295 55.093 62.311 1.00 0.00 WT1 H ATOM 13780 OH2 TIP3 4056 83.222 30.611 -7.252 1.00 0.00 WT1 O ATOM 13781 H1 TIP3 4056 82.764 31.237 -6.691 1.00 0.00 WT1 H ATOM 13782 H2 TIP3 4056 83.144 29.775 -6.792 1.00 0.00 WT1 H ATOM 13783 OH2 TIP3 4057 70.250 16.820 -13.534 1.00 0.00 WT1 O ATOM 13784 H1 TIP3 4057 69.549 16.895 -14.181 1.00 0.00 WT1 H ATOM 13785 H2 TIP3 4057 70.822 17.567 -13.711 1.00 0.00 WT1 H ATOM 13786 OH2 TIP3 4059 24.158 60.906 -17.269 1.00 0.00 WT1 O ATOM 13787 H1 TIP3 4059 23.758 61.677 -16.866 1.00 0.00 WT1 H ATOM 13788 H2 TIP3 4059 24.868 60.665 -16.674 1.00 0.00 WT1 H ATOM 13789 OH2 TIP3 4060 31.644 51.108 -5.303 1.00 0.00 WT1 O ATOM 13790 H1 TIP3 4060 32.583 51.090 -5.118 1.00 0.00 WT1 H ATOM 13791 H2 TIP3 4060 31.229 51.062 -4.441 1.00 0.00 WT1 H ATOM 13792 OH2 TIP3 4061 20.997 77.914 30.105 1.00 0.00 WT1 O ATOM 13793 H1 TIP3 4061 20.220 77.452 30.419 1.00 0.00 WT1 H ATOM 13794 H2 TIP3 4061 21.705 77.276 30.188 1.00 0.00 WT1 H ATOM 13795 OH2 TIP3 4062 80.721 69.727 60.946 1.00 0.00 WT1 O ATOM 13796 H1 TIP3 4062 80.042 69.689 61.620 1.00 0.00 WT1 H ATOM 13797 H2 TIP3 4062 80.398 70.371 60.316 1.00 0.00 WT1 H ATOM 13798 OH2 TIP3 4064 33.881 11.418 47.414 1.00 0.00 WT1 O ATOM 13799 H1 TIP3 4064 34.673 10.936 47.174 1.00 0.00 WT1 H ATOM 13800 H2 TIP3 4064 33.921 11.486 48.368 1.00 0.00 WT1 H ATOM 13801 OH2 TIP3 4065 83.842 11.209 -16.887 1.00 0.00 WT1 O ATOM 13802 H1 TIP3 4065 83.694 11.939 -16.287 1.00 0.00 WT1 H ATOM 13803 H2 TIP3 4065 83.314 11.419 -17.657 1.00 0.00 WT1 H ATOM 13804 OH2 TIP3 4067 79.461 9.533 1.024 1.00 0.00 WT1 O ATOM 13805 H1 TIP3 4067 80.269 9.496 0.512 1.00 0.00 WT1 H ATOM 13806 H2 TIP3 4067 79.671 10.104 1.763 1.00 0.00 WT1 H ATOM 13807 OH2 TIP3 4068 87.395 43.053 27.663 1.00 0.00 WT1 O ATOM 13808 H1 TIP3 4068 86.817 43.211 26.917 1.00 0.00 WT1 H ATOM 13809 H2 TIP3 4068 88.255 42.899 27.273 1.00 0.00 WT1 H ATOM 13810 OH2 TIP3 4069 58.168 38.175 -14.446 1.00 0.00 WT1 O ATOM 13811 H1 TIP3 4069 58.685 37.924 -15.211 1.00 0.00 WT1 H ATOM 13812 H2 TIP3 4069 58.703 37.911 -13.698 1.00 0.00 WT1 H ATOM 13813 OH2 TIP3 4070 29.458 4.602 13.540 1.00 0.00 WT1 O ATOM 13814 H1 TIP3 4070 29.372 5.511 13.827 1.00 0.00 WT1 H ATOM 13815 H2 TIP3 4070 29.780 4.136 14.312 1.00 0.00 WT1 H ATOM 13816 OH2 TIP3 4071 34.979 90.979 26.187 1.00 0.00 WT1 O ATOM 13817 H1 TIP3 4071 34.965 91.462 25.361 1.00 0.00 WT1 H ATOM 13818 H2 TIP3 4071 34.269 90.342 26.104 1.00 0.00 WT1 H ATOM 13819 OH2 TIP3 4072 53.303 37.608 57.216 1.00 0.00 WT1 O ATOM 13820 H1 TIP3 4072 53.027 37.688 58.129 1.00 0.00 WT1 H ATOM 13821 H2 TIP3 4072 52.545 37.900 56.710 1.00 0.00 WT1 H ATOM 13822 OH2 TIP3 4073 81.641 72.519 55.327 1.00 0.00 WT1 O ATOM 13823 H1 TIP3 4073 82.535 72.665 55.636 1.00 0.00 WT1 H ATOM 13824 H2 TIP3 4073 81.629 72.889 54.444 1.00 0.00 WT1 H ATOM 13825 OH2 TIP3 4074 46.881 4.867 2.500 1.00 0.00 WT1 O ATOM 13826 H1 TIP3 4074 47.202 4.644 1.626 1.00 0.00 WT1 H ATOM 13827 H2 TIP3 4074 46.682 4.023 2.906 1.00 0.00 WT1 H ATOM 13828 OH2 TIP3 4075 57.710 73.118 -2.631 1.00 0.00 WT1 O ATOM 13829 H1 TIP3 4075 58.173 72.781 -3.398 1.00 0.00 WT1 H ATOM 13830 H2 TIP3 4075 57.913 72.493 -1.935 1.00 0.00 WT1 H ATOM 13831 OH2 TIP3 4076 51.598 24.617 64.902 1.00 0.00 WT1 O ATOM 13832 H1 TIP3 4076 51.810 25.550 64.865 1.00 0.00 WT1 H ATOM 13833 H2 TIP3 4076 51.566 24.341 63.986 1.00 0.00 WT1 H ATOM 13834 OH2 TIP3 4077 88.185 21.388 44.084 1.00 0.00 WT1 O ATOM 13835 H1 TIP3 4077 88.286 20.446 43.946 1.00 0.00 WT1 H ATOM 13836 H2 TIP3 4077 87.260 21.559 43.908 1.00 0.00 WT1 H ATOM 13837 OH2 TIP3 4078 21.676 11.983 -4.307 1.00 0.00 WT1 O ATOM 13838 H1 TIP3 4078 21.959 11.274 -3.729 1.00 0.00 WT1 H ATOM 13839 H2 TIP3 4078 21.968 12.782 -3.868 1.00 0.00 WT1 H ATOM 13840 OH2 TIP3 4079 39.528 63.227 58.043 1.00 0.00 WT1 O ATOM 13841 H1 TIP3 4079 39.876 62.416 57.673 1.00 0.00 WT1 H ATOM 13842 H2 TIP3 4079 40.055 63.378 58.828 1.00 0.00 WT1 H ATOM 13843 OH2 TIP3 4081 27.879 2.043 31.513 1.00 0.00 WT1 O ATOM 13844 H1 TIP3 4081 27.263 2.526 30.962 1.00 0.00 WT1 H ATOM 13845 H2 TIP3 4081 28.511 2.702 31.801 1.00 0.00 WT1 H ATOM 13846 OH2 TIP3 4082 25.382 85.640 16.921 1.00 0.00 WT1 O ATOM 13847 H1 TIP3 4082 26.228 85.999 17.186 1.00 0.00 WT1 H ATOM 13848 H2 TIP3 4082 25.502 84.691 16.956 1.00 0.00 WT1 H ATOM 13849 OH2 TIP3 4083 84.650 48.767 -9.178 1.00 0.00 WT1 O ATOM 13850 H1 TIP3 4083 85.606 48.722 -9.155 1.00 0.00 WT1 H ATOM 13851 H2 TIP3 4083 84.434 48.819 -10.109 1.00 0.00 WT1 H ATOM 13852 OH2 TIP3 4084 33.651 82.831 14.586 1.00 0.00 WT1 O ATOM 13853 H1 TIP3 4084 34.359 82.740 15.224 1.00 0.00 WT1 H ATOM 13854 H2 TIP3 4084 34.052 82.597 13.748 1.00 0.00 WT1 H ATOM 13855 OH2 TIP3 4087 27.881 80.121 61.409 1.00 0.00 WT1 O ATOM 13856 H1 TIP3 4087 27.150 79.814 60.873 1.00 0.00 WT1 H ATOM 13857 H2 TIP3 4087 28.639 79.639 61.080 1.00 0.00 WT1 H ATOM 13858 OH2 TIP3 4089 67.860 30.109 20.621 1.00 0.00 WT1 O ATOM 13859 H1 TIP3 4089 67.454 29.609 19.913 1.00 0.00 WT1 H ATOM 13860 H2 TIP3 4089 67.993 30.982 20.254 1.00 0.00 WT1 H ATOM 13861 OH2 TIP3 4090 70.037 94.488 34.932 1.00 0.00 WT1 O ATOM 13862 H1 TIP3 4090 70.727 93.858 35.141 1.00 0.00 WT1 H ATOM 13863 H2 TIP3 4090 70.050 94.550 33.977 1.00 0.00 WT1 H ATOM 13864 OH2 TIP3 4092 61.551 24.869 5.729 1.00 0.00 WT1 O ATOM 13865 H1 TIP3 4092 61.017 25.663 5.696 1.00 0.00 WT1 H ATOM 13866 H2 TIP3 4092 61.066 24.277 6.305 1.00 0.00 WT1 H ATOM 13867 OH2 TIP3 4093 41.388 18.085 61.567 1.00 0.00 WT1 O ATOM 13868 H1 TIP3 4093 41.741 17.481 60.914 1.00 0.00 WT1 H ATOM 13869 H2 TIP3 4093 40.446 18.098 61.398 1.00 0.00 WT1 H ATOM 13870 OH2 TIP3 4095 32.315 36.556 43.459 1.00 0.00 WT1 O ATOM 13871 H1 TIP3 4095 32.324 37.359 42.938 1.00 0.00 WT1 H ATOM 13872 H2 TIP3 4095 33.174 36.162 43.308 1.00 0.00 WT1 H ATOM 13873 OH2 TIP3 4096 65.488 81.902 55.319 1.00 0.00 WT1 O ATOM 13874 H1 TIP3 4096 65.283 82.584 54.679 1.00 0.00 WT1 H ATOM 13875 H2 TIP3 4096 65.726 82.382 56.113 1.00 0.00 WT1 H ATOM 13876 OH2 TIP3 4097 48.287 33.294 17.021 1.00 0.00 WT1 O ATOM 13877 H1 TIP3 4097 48.861 33.695 17.673 1.00 0.00 WT1 H ATOM 13878 H2 TIP3 4097 47.974 32.492 17.438 1.00 0.00 WT1 H ATOM 13879 OH2 TIP3 4098 49.030 35.412 18.790 1.00 0.00 WT1 O ATOM 13880 H1 TIP3 4098 49.137 36.363 18.830 1.00 0.00 WT1 H ATOM 13881 H2 TIP3 4098 48.801 35.158 19.684 1.00 0.00 WT1 H ATOM 13882 OH2 TIP3 4099 53.766 13.457 53.763 1.00 0.00 WT1 O ATOM 13883 H1 TIP3 4099 53.706 14.308 53.329 1.00 0.00 WT1 H ATOM 13884 H2 TIP3 4099 52.941 13.372 54.241 1.00 0.00 WT1 H ATOM 13885 OH2 TIP3 4100 31.228 72.613 55.280 1.00 0.00 WT1 O ATOM 13886 H1 TIP3 4100 30.886 73.158 54.571 1.00 0.00 WT1 H ATOM 13887 H2 TIP3 4100 31.955 72.134 54.884 1.00 0.00 WT1 H ATOM 13888 OH2 TIP3 4101 65.417 20.594 7.822 1.00 0.00 WT1 O ATOM 13889 H1 TIP3 4101 65.076 21.240 7.203 1.00 0.00 WT1 H ATOM 13890 H2 TIP3 4101 65.732 19.877 7.272 1.00 0.00 WT1 H ATOM 13891 OH2 TIP3 4102 31.517 46.297 -19.242 1.00 0.00 WT1 O ATOM 13892 H1 TIP3 4102 31.859 45.468 -18.909 1.00 0.00 WT1 H ATOM 13893 H2 TIP3 4102 30.875 46.572 -18.587 1.00 0.00 WT1 H ATOM 13894 OH2 TIP3 4103 75.212 37.530 -7.604 1.00 0.00 WT1 O ATOM 13895 H1 TIP3 4103 75.930 37.161 -7.090 1.00 0.00 WT1 H ATOM 13896 H2 TIP3 4103 74.686 38.015 -6.969 1.00 0.00 WT1 H ATOM 13897 OH2 TIP3 4104 33.682 18.537 -1.903 1.00 0.00 WT1 O ATOM 13898 H1 TIP3 4104 33.570 19.351 -2.393 1.00 0.00 WT1 H ATOM 13899 H2 TIP3 4104 32.874 18.049 -2.062 1.00 0.00 WT1 H ATOM 13900 OH2 TIP3 4106 23.145 79.450 -14.090 1.00 0.00 WT1 O ATOM 13901 H1 TIP3 4106 23.655 79.556 -13.287 1.00 0.00 WT1 H ATOM 13902 H2 TIP3 4106 23.235 78.524 -14.311 1.00 0.00 WT1 H ATOM 13903 OH2 TIP3 4109 50.626 80.614 25.936 1.00 0.00 WT1 O ATOM 13904 H1 TIP3 4109 50.871 79.899 26.522 1.00 0.00 WT1 H ATOM 13905 H2 TIP3 4109 50.273 80.179 25.160 1.00 0.00 WT1 H ATOM 13906 OH2 TIP3 4110 52.014 26.898 22.269 1.00 0.00 WT1 O ATOM 13907 H1 TIP3 4110 51.708 27.050 23.163 1.00 0.00 WT1 H ATOM 13908 H2 TIP3 4110 51.471 27.472 21.728 1.00 0.00 WT1 H ATOM 13909 OH2 TIP3 4112 49.139 43.526 53.969 1.00 0.00 WT1 O ATOM 13910 H1 TIP3 4112 48.927 44.420 54.236 1.00 0.00 WT1 H ATOM 13911 H2 TIP3 4112 48.482 42.983 54.406 1.00 0.00 WT1 H ATOM 13912 OH2 TIP3 4113 43.661 46.486 9.946 1.00 0.00 WT1 O ATOM 13913 H1 TIP3 4113 44.294 46.684 9.256 1.00 0.00 WT1 H ATOM 13914 H2 TIP3 4113 43.725 47.225 10.551 1.00 0.00 WT1 H ATOM 13915 OH2 TIP3 4114 63.847 52.919 62.742 1.00 0.00 WT1 O ATOM 13916 H1 TIP3 4114 62.954 52.597 62.619 1.00 0.00 WT1 H ATOM 13917 H2 TIP3 4114 63.975 52.916 63.691 1.00 0.00 WT1 H ATOM 13918 OH2 TIP3 4115 22.593 94.602 48.733 1.00 0.00 WT1 O ATOM 13919 H1 TIP3 4115 23.522 94.598 48.501 1.00 0.00 WT1 H ATOM 13920 H2 TIP3 4115 22.293 95.482 48.507 1.00 0.00 WT1 H ATOM 13921 OH2 TIP3 4116 46.363 43.681 63.279 1.00 0.00 WT1 O ATOM 13922 H1 TIP3 4116 47.277 43.459 63.101 1.00 0.00 WT1 H ATOM 13923 H2 TIP3 4116 45.934 43.635 62.425 1.00 0.00 WT1 H ATOM 13924 OH2 TIP3 4117 36.609 22.217 54.985 1.00 0.00 WT1 O ATOM 13925 H1 TIP3 4117 37.471 22.583 54.788 1.00 0.00 WT1 H ATOM 13926 H2 TIP3 4117 36.040 22.558 54.295 1.00 0.00 WT1 H ATOM 13927 OH2 TIP3 4118 66.997 37.926 30.034 1.00 0.00 WT1 O ATOM 13928 H1 TIP3 4118 66.388 38.158 30.736 1.00 0.00 WT1 H ATOM 13929 H2 TIP3 4118 66.434 37.703 29.293 1.00 0.00 WT1 H ATOM 13930 OH2 TIP3 4119 81.417 52.228 -10.598 1.00 0.00 WT1 O ATOM 13931 H1 TIP3 4119 81.362 52.500 -11.514 1.00 0.00 WT1 H ATOM 13932 H2 TIP3 4119 80.510 52.064 -10.341 1.00 0.00 WT1 H ATOM 13933 OH2 TIP3 4120 44.039 27.976 52.732 1.00 0.00 WT1 O ATOM 13934 H1 TIP3 4120 44.345 27.314 53.352 1.00 0.00 WT1 H ATOM 13935 H2 TIP3 4120 44.661 28.698 52.826 1.00 0.00 WT1 H ATOM 13936 OH2 TIP3 4121 76.876 55.281 -16.926 1.00 0.00 WT1 O ATOM 13937 H1 TIP3 4121 76.690 54.599 -16.280 1.00 0.00 WT1 H ATOM 13938 H2 TIP3 4121 77.831 55.339 -16.946 1.00 0.00 WT1 H ATOM 13939 OH2 TIP3 4123 66.597 29.391 6.942 1.00 0.00 WT1 O ATOM 13940 H1 TIP3 4123 67.065 30.153 7.284 1.00 0.00 WT1 H ATOM 13941 H2 TIP3 4123 67.244 28.932 6.407 1.00 0.00 WT1 H ATOM 13942 OH2 TIP3 4125 45.499 32.594 6.466 1.00 0.00 WT1 O ATOM 13943 H1 TIP3 4125 44.714 33.122 6.613 1.00 0.00 WT1 H ATOM 13944 H2 TIP3 4125 46.218 33.139 6.784 1.00 0.00 WT1 H ATOM 13945 OH2 TIP3 4130 29.446 52.443 64.112 1.00 0.00 WT1 O ATOM 13946 H1 TIP3 4130 29.407 51.660 64.661 1.00 0.00 WT1 H ATOM 13947 H2 TIP3 4130 29.310 53.169 64.721 1.00 0.00 WT1 H ATOM 13948 OH2 TIP3 4131 73.311 14.736 2.511 1.00 0.00 WT1 O ATOM 13949 H1 TIP3 4131 72.612 14.712 1.858 1.00 0.00 WT1 H ATOM 13950 H2 TIP3 4131 73.582 13.823 2.607 1.00 0.00 WT1 H ATOM 13951 OH2 TIP3 4132 61.133 4.650 22.530 1.00 0.00 WT1 O ATOM 13952 H1 TIP3 4132 60.270 5.061 22.580 1.00 0.00 WT1 H ATOM 13953 H2 TIP3 4132 60.974 3.730 22.740 1.00 0.00 WT1 H ATOM 13954 OH2 TIP3 4133 68.474 62.161 66.086 1.00 0.00 WT1 O ATOM 13955 H1 TIP3 4133 68.093 61.284 66.044 1.00 0.00 WT1 H ATOM 13956 H2 TIP3 4133 67.829 62.681 66.567 1.00 0.00 WT1 H ATOM 13957 OH2 TIP3 4134 47.092 14.406 -1.971 1.00 0.00 WT1 O ATOM 13958 H1 TIP3 4134 47.535 13.810 -2.574 1.00 0.00 WT1 H ATOM 13959 H2 TIP3 4134 46.380 13.886 -1.599 1.00 0.00 WT1 H ATOM 13960 OH2 TIP3 4135 60.625 33.841 24.319 1.00 0.00 WT1 O ATOM 13961 H1 TIP3 4135 59.902 33.214 24.291 1.00 0.00 WT1 H ATOM 13962 H2 TIP3 4135 61.413 33.301 24.253 1.00 0.00 WT1 H ATOM 13963 OH2 TIP3 4136 65.044 8.099 41.459 1.00 0.00 WT1 O ATOM 13964 H1 TIP3 4136 64.161 7.824 41.211 1.00 0.00 WT1 H ATOM 13965 H2 TIP3 4136 64.923 8.954 41.871 1.00 0.00 WT1 H ATOM 13966 OH2 TIP3 4137 31.751 29.768 49.392 1.00 0.00 WT1 O ATOM 13967 H1 TIP3 4137 31.544 28.837 49.312 1.00 0.00 WT1 H ATOM 13968 H2 TIP3 4137 31.919 29.897 50.326 1.00 0.00 WT1 H ATOM 13969 OH2 TIP3 4138 32.719 21.366 -0.302 1.00 0.00 WT1 O ATOM 13970 H1 TIP3 4138 32.907 21.423 0.635 1.00 0.00 WT1 H ATOM 13971 H2 TIP3 4138 33.534 21.633 -0.727 1.00 0.00 WT1 H ATOM 13972 OH2 TIP3 4139 51.169 84.627 -2.896 1.00 0.00 WT1 O ATOM 13973 H1 TIP3 4139 51.028 84.579 -1.950 1.00 0.00 WT1 H ATOM 13974 H2 TIP3 4139 51.477 83.753 -3.137 1.00 0.00 WT1 H ATOM 13975 OH2 TIP3 4140 61.309 19.780 60.544 1.00 0.00 WT1 O ATOM 13976 H1 TIP3 4140 60.373 19.749 60.745 1.00 0.00 WT1 H ATOM 13977 H2 TIP3 4140 61.513 18.904 60.217 1.00 0.00 WT1 H ATOM 13978 OH2 TIP3 4141 82.808 25.120 4.358 1.00 0.00 WT1 O ATOM 13979 H1 TIP3 4141 83.206 24.616 5.068 1.00 0.00 WT1 H ATOM 13980 H2 TIP3 4141 83.541 25.350 3.787 1.00 0.00 WT1 H ATOM 13981 OH2 TIP3 4142 69.951 39.878 50.965 1.00 0.00 WT1 O ATOM 13982 H1 TIP3 4142 70.376 40.658 50.609 1.00 0.00 WT1 H ATOM 13983 H2 TIP3 4142 69.033 40.130 51.068 1.00 0.00 WT1 H ATOM 13984 OH2 TIP3 4143 79.757 11.136 66.237 1.00 0.00 WT1 O ATOM 13985 H1 TIP3 4143 80.573 10.728 66.525 1.00 0.00 WT1 H ATOM 13986 H2 TIP3 4143 79.578 11.807 66.896 1.00 0.00 WT1 H ATOM 13987 OH2 TIP3 4144 72.022 30.212 9.575 1.00 0.00 WT1 O ATOM 13988 H1 TIP3 4144 71.627 31.038 9.294 1.00 0.00 WT1 H ATOM 13989 H2 TIP3 4144 71.395 29.542 9.302 1.00 0.00 WT1 H ATOM 13990 OH2 TIP3 4145 26.695 94.329 44.793 1.00 0.00 WT1 O ATOM 13991 H1 TIP3 4145 27.416 94.828 45.177 1.00 0.00 WT1 H ATOM 13992 H2 TIP3 4145 26.746 94.515 43.856 1.00 0.00 WT1 H ATOM 13993 OH2 TIP3 4147 26.713 5.225 47.456 1.00 0.00 WT1 O ATOM 13994 H1 TIP3 4147 27.448 4.705 47.781 1.00 0.00 WT1 H ATOM 13995 H2 TIP3 4147 27.115 6.031 47.131 1.00 0.00 WT1 H ATOM 13996 OH2 TIP3 4151 90.309 81.439 -2.688 1.00 0.00 WT1 O ATOM 13997 H1 TIP3 4151 90.926 80.730 -2.508 1.00 0.00 WT1 H ATOM 13998 H2 TIP3 4151 89.931 81.651 -1.835 1.00 0.00 WT1 H ATOM 13999 OH2 TIP3 4153 38.218 77.282 54.889 1.00 0.00 WT1 O ATOM 14000 H1 TIP3 4153 38.534 78.170 54.724 1.00 0.00 WT1 H ATOM 14001 H2 TIP3 4153 37.432 77.202 54.349 1.00 0.00 WT1 H ATOM 14002 OH2 TIP3 4154 55.578 51.195 50.067 1.00 0.00 WT1 O ATOM 14003 H1 TIP3 4154 56.426 51.590 49.862 1.00 0.00 WT1 H ATOM 14004 H2 TIP3 4154 54.957 51.653 49.501 1.00 0.00 WT1 H ATOM 14005 OH2 TIP3 4155 46.996 63.569 -19.832 1.00 0.00 WT1 O ATOM 14006 H1 TIP3 4155 47.308 64.349 -19.374 1.00 0.00 WT1 H ATOM 14007 H2 TIP3 4155 47.760 63.252 -20.314 1.00 0.00 WT1 H ATOM 14008 OH2 TIP3 4156 78.025 86.002 22.376 1.00 0.00 WT1 O ATOM 14009 H1 TIP3 4156 78.837 86.507 22.331 1.00 0.00 WT1 H ATOM 14010 H2 TIP3 4156 78.043 85.597 23.243 1.00 0.00 WT1 H ATOM 14011 OH2 TIP3 4157 79.889 24.023 -19.347 1.00 0.00 WT1 O ATOM 14012 H1 TIP3 4157 80.636 24.236 -18.787 1.00 0.00 WT1 H ATOM 14013 H2 TIP3 4157 79.144 24.453 -18.926 1.00 0.00 WT1 H ATOM 14014 OH2 TIP3 4158 24.504 2.908 -10.713 1.00 0.00 WT1 O ATOM 14015 H1 TIP3 4158 24.090 3.738 -10.950 1.00 0.00 WT1 H ATOM 14016 H2 TIP3 4158 24.767 2.524 -11.549 1.00 0.00 WT1 H ATOM 14017 OH2 TIP3 4159 80.612 41.906 -6.509 1.00 0.00 WT1 O ATOM 14018 H1 TIP3 4159 80.787 41.696 -5.592 1.00 0.00 WT1 H ATOM 14019 H2 TIP3 4159 79.844 42.475 -6.483 1.00 0.00 WT1 H ATOM 14020 OH2 TIP3 4160 34.099 24.198 50.958 1.00 0.00 WT1 O ATOM 14021 H1 TIP3 4160 34.807 24.224 51.601 1.00 0.00 WT1 H ATOM 14022 H2 TIP3 4160 33.299 24.258 51.479 1.00 0.00 WT1 H ATOM 14023 OH2 TIP3 4161 47.788 91.083 63.448 1.00 0.00 WT1 O ATOM 14024 H1 TIP3 4161 47.678 92.034 63.465 1.00 0.00 WT1 H ATOM 14025 H2 TIP3 4161 48.680 90.950 63.126 1.00 0.00 WT1 H ATOM 14026 OH2 TIP3 4162 23.223 64.545 -11.684 1.00 0.00 WT1 O ATOM 14027 H1 TIP3 4162 23.245 65.454 -11.983 1.00 0.00 WT1 H ATOM 14028 H2 TIP3 4162 23.842 64.518 -10.953 1.00 0.00 WT1 H ATOM 14029 OH2 TIP3 4164 85.588 47.621 19.782 1.00 0.00 WT1 O ATOM 14030 H1 TIP3 4164 84.983 48.336 19.584 1.00 0.00 WT1 H ATOM 14031 H2 TIP3 4164 86.436 48.049 19.898 1.00 0.00 WT1 H ATOM 14032 OH2 TIP3 4165 54.215 23.770 20.065 1.00 0.00 WT1 O ATOM 14033 H1 TIP3 4165 53.761 24.013 20.872 1.00 0.00 WT1 H ATOM 14034 H2 TIP3 4165 54.551 24.597 19.720 1.00 0.00 WT1 H ATOM 14035 OH2 TIP3 4166 60.568 27.244 15.734 1.00 0.00 WT1 O ATOM 14036 H1 TIP3 4166 59.980 27.259 16.489 1.00 0.00 WT1 H ATOM 14037 H2 TIP3 4166 60.358 28.042 15.249 1.00 0.00 WT1 H ATOM 14038 OH2 TIP3 4167 47.142 7.622 8.826 1.00 0.00 WT1 O ATOM 14039 H1 TIP3 4167 48.034 7.390 8.567 1.00 0.00 WT1 H ATOM 14040 H2 TIP3 4167 46.789 8.096 8.073 1.00 0.00 WT1 H ATOM 14041 OH2 TIP3 4169 47.933 39.176 56.850 1.00 0.00 WT1 O ATOM 14042 H1 TIP3 4169 47.024 39.061 56.575 1.00 0.00 WT1 H ATOM 14043 H2 TIP3 4169 47.891 39.232 57.804 1.00 0.00 WT1 H ATOM 14044 OH2 TIP3 4173 22.337 55.790 36.804 1.00 0.00 WT1 O ATOM 14045 H1 TIP3 4173 21.986 55.123 37.394 1.00 0.00 WT1 H ATOM 14046 H2 TIP3 4173 23.119 55.388 36.426 1.00 0.00 WT1 H ATOM 14047 OH2 TIP3 4174 47.100 27.296 43.150 1.00 0.00 WT1 O ATOM 14048 H1 TIP3 4174 46.222 27.650 43.004 1.00 0.00 WT1 H ATOM 14049 H2 TIP3 4174 47.680 28.053 43.068 1.00 0.00 WT1 H ATOM 14050 OH2 TIP3 4175 82.071 78.141 16.599 1.00 0.00 WT1 O ATOM 14051 H1 TIP3 4175 81.372 77.725 17.104 1.00 0.00 WT1 H ATOM 14052 H2 TIP3 4175 82.065 77.684 15.758 1.00 0.00 WT1 H ATOM 14053 OH2 TIP3 4177 33.007 4.348 -15.425 1.00 0.00 WT1 O ATOM 14054 H1 TIP3 4177 33.527 3.960 -16.128 1.00 0.00 WT1 H ATOM 14055 H2 TIP3 4177 32.877 3.635 -14.800 1.00 0.00 WT1 H ATOM 14056 OH2 TIP3 4178 82.282 76.734 37.072 1.00 0.00 WT1 O ATOM 14057 H1 TIP3 4178 82.198 76.412 37.970 1.00 0.00 WT1 H ATOM 14058 H2 TIP3 4178 82.780 76.054 36.619 1.00 0.00 WT1 H ATOM 14059 OH2 TIP3 4180 41.781 53.675 41.103 1.00 0.00 WT1 O ATOM 14060 H1 TIP3 4180 40.842 53.857 41.143 1.00 0.00 WT1 H ATOM 14061 H2 TIP3 4180 42.097 54.209 40.374 1.00 0.00 WT1 H ATOM 14062 OH2 TIP3 4181 80.537 48.416 -3.608 1.00 0.00 WT1 O ATOM 14063 H1 TIP3 4181 79.871 48.412 -2.921 1.00 0.00 WT1 H ATOM 14064 H2 TIP3 4181 80.114 48.847 -4.351 1.00 0.00 WT1 H ATOM 14065 OH2 TIP3 4182 49.210 49.691 7.305 1.00 0.00 WT1 O ATOM 14066 H1 TIP3 4182 48.950 49.005 7.919 1.00 0.00 WT1 H ATOM 14067 H2 TIP3 4182 50.102 49.921 7.566 1.00 0.00 WT1 H ATOM 14068 OH2 TIP3 4183 86.384 19.128 -3.608 1.00 0.00 WT1 O ATOM 14069 H1 TIP3 4183 86.718 18.681 -2.830 1.00 0.00 WT1 H ATOM 14070 H2 TIP3 4183 87.001 18.898 -4.302 1.00 0.00 WT1 H ATOM 14071 OH2 TIP3 4184 66.137 61.983 19.603 1.00 0.00 WT1 O ATOM 14072 H1 TIP3 4184 65.624 61.441 19.003 1.00 0.00 WT1 H ATOM 14073 H2 TIP3 4184 65.669 61.925 20.437 1.00 0.00 WT1 H ATOM 14074 OH2 TIP3 4186 69.991 23.927 -13.248 1.00 0.00 WT1 O ATOM 14075 H1 TIP3 4186 70.342 24.206 -14.094 1.00 0.00 WT1 H ATOM 14076 H2 TIP3 4186 70.632 23.299 -12.917 1.00 0.00 WT1 H ATOM 14077 OH2 TIP3 4187 42.903 54.235 9.667 1.00 0.00 WT1 O ATOM 14078 H1 TIP3 4187 43.548 54.582 9.051 1.00 0.00 WT1 H ATOM 14079 H2 TIP3 4187 43.395 54.089 10.474 1.00 0.00 WT1 H ATOM 14080 OH2 TIP3 4189 72.757 24.784 4.320 1.00 0.00 WT1 O ATOM 14081 H1 TIP3 4189 72.990 25.427 4.989 1.00 0.00 WT1 H ATOM 14082 H2 TIP3 4189 72.193 25.263 3.713 1.00 0.00 WT1 H ATOM 14083 OH2 TIP3 4191 39.078 18.888 65.768 1.00 0.00 WT1 O ATOM 14084 H1 TIP3 4191 38.742 19.632 65.268 1.00 0.00 WT1 H ATOM 14085 H2 TIP3 4191 38.363 18.654 66.360 1.00 0.00 WT1 H ATOM 14086 OH2 TIP3 4192 83.102 1.154 36.997 1.00 0.00 WT1 O ATOM 14087 H1 TIP3 4192 82.189 1.337 36.776 1.00 0.00 WT1 H ATOM 14088 H2 TIP3 4192 83.055 0.503 37.697 1.00 0.00 WT1 H ATOM 14089 OH2 TIP3 4194 29.191 26.039 -16.462 1.00 0.00 WT1 O ATOM 14090 H1 TIP3 4194 29.028 26.326 -17.361 1.00 0.00 WT1 H ATOM 14091 H2 TIP3 4194 28.508 26.467 -15.946 1.00 0.00 WT1 H ATOM 14092 OH2 TIP3 4196 81.586 36.254 31.632 1.00 0.00 WT1 O ATOM 14093 H1 TIP3 4196 80.739 35.837 31.787 1.00 0.00 WT1 H ATOM 14094 H2 TIP3 4196 82.211 35.715 32.116 1.00 0.00 WT1 H ATOM 14095 OH2 TIP3 4197 57.089 6.152 28.729 1.00 0.00 WT1 O ATOM 14096 H1 TIP3 4197 57.732 6.814 28.982 1.00 0.00 WT1 H ATOM 14097 H2 TIP3 4197 56.472 6.619 28.166 1.00 0.00 WT1 H ATOM 14098 OH2 TIP3 4198 61.632 17.839 -1.401 1.00 0.00 WT1 O ATOM 14099 H1 TIP3 4198 61.372 16.930 -1.552 1.00 0.00 WT1 H ATOM 14100 H2 TIP3 4198 61.986 17.843 -0.512 1.00 0.00 WT1 H ATOM 14101 OH2 TIP3 4199 60.239 24.124 37.022 1.00 0.00 WT1 O ATOM 14102 H1 TIP3 4199 59.447 24.339 36.531 1.00 0.00 WT1 H ATOM 14103 H2 TIP3 4199 60.780 24.912 36.962 1.00 0.00 WT1 H ATOM 14104 OH2 TIP3 4200 29.530 72.306 -2.743 1.00 0.00 WT1 O ATOM 14105 H1 TIP3 4200 29.957 71.623 -3.261 1.00 0.00 WT1 H ATOM 14106 H2 TIP3 4200 30.238 72.698 -2.232 1.00 0.00 WT1 H ATOM 14107 OH2 TIP3 4201 59.626 8.672 61.427 1.00 0.00 WT1 O ATOM 14108 H1 TIP3 4201 59.958 8.944 60.571 1.00 0.00 WT1 H ATOM 14109 H2 TIP3 4201 59.116 7.883 61.247 1.00 0.00 WT1 H ATOM 14110 OH2 TIP3 4202 41.651 22.748 -14.685 1.00 0.00 WT1 O ATOM 14111 H1 TIP3 4202 41.632 23.033 -15.598 1.00 0.00 WT1 H ATOM 14112 H2 TIP3 4202 41.300 21.857 -14.704 1.00 0.00 WT1 H ATOM 14113 OH2 TIP3 4204 90.079 42.672 63.729 1.00 0.00 WT1 O ATOM 14114 H1 TIP3 4204 90.378 42.653 64.638 1.00 0.00 WT1 H ATOM 14115 H2 TIP3 4204 90.337 43.536 63.409 1.00 0.00 WT1 H ATOM 14116 OH2 TIP3 4205 36.802 45.624 -16.626 1.00 0.00 WT1 O ATOM 14117 H1 TIP3 4205 37.152 45.629 -15.735 1.00 0.00 WT1 H ATOM 14118 H2 TIP3 4205 37.547 45.858 -17.179 1.00 0.00 WT1 H ATOM 14119 OH2 TIP3 4207 26.393 27.504 12.041 1.00 0.00 WT1 O ATOM 14120 H1 TIP3 4207 25.551 27.863 11.762 1.00 0.00 WT1 H ATOM 14121 H2 TIP3 4207 26.805 28.213 12.533 1.00 0.00 WT1 H ATOM 14122 OH2 TIP3 4209 73.570 47.574 -7.977 1.00 0.00 WT1 O ATOM 14123 H1 TIP3 4209 72.769 47.092 -8.182 1.00 0.00 WT1 H ATOM 14124 H2 TIP3 4209 73.604 47.586 -7.021 1.00 0.00 WT1 H ATOM 14125 OH2 TIP3 4217 42.725 12.052 26.213 1.00 0.00 WT1 O ATOM 14126 H1 TIP3 4217 43.515 11.725 25.783 1.00 0.00 WT1 H ATOM 14127 H2 TIP3 4217 42.872 12.994 26.302 1.00 0.00 WT1 H ATOM 14128 OH2 TIP3 4218 49.916 26.131 4.052 1.00 0.00 WT1 O ATOM 14129 H1 TIP3 4218 50.201 25.413 3.487 1.00 0.00 WT1 H ATOM 14130 H2 TIP3 4218 49.361 25.713 4.710 1.00 0.00 WT1 H ATOM 14131 OH2 TIP3 4219 49.794 64.243 50.625 1.00 0.00 WT1 O ATOM 14132 H1 TIP3 4219 49.283 64.975 50.278 1.00 0.00 WT1 H ATOM 14133 H2 TIP3 4219 50.294 63.923 49.874 1.00 0.00 WT1 H ATOM 14134 OH2 TIP3 4220 29.968 9.374 28.747 1.00 0.00 WT1 O ATOM 14135 H1 TIP3 4220 29.560 9.772 29.516 1.00 0.00 WT1 H ATOM 14136 H2 TIP3 4220 30.113 10.105 28.147 1.00 0.00 WT1 H ATOM 14137 OH2 TIP3 4221 75.112 3.690 48.792 1.00 0.00 WT1 O ATOM 14138 H1 TIP3 4221 75.584 3.440 47.998 1.00 0.00 WT1 H ATOM 14139 H2 TIP3 4221 74.980 4.634 48.705 1.00 0.00 WT1 H ATOM 14140 OH2 TIP3 4222 59.341 26.554 -4.839 1.00 0.00 WT1 O ATOM 14141 H1 TIP3 4222 59.326 25.597 -4.801 1.00 0.00 WT1 H ATOM 14142 H2 TIP3 4222 58.429 26.802 -4.986 1.00 0.00 WT1 H ATOM 14143 OH2 TIP3 4223 51.837 59.051 49.717 1.00 0.00 WT1 O ATOM 14144 H1 TIP3 4223 51.531 59.479 48.917 1.00 0.00 WT1 H ATOM 14145 H2 TIP3 4223 52.216 58.225 49.416 1.00 0.00 WT1 H ATOM 14146 OH2 TIP3 4224 65.287 53.241 60.458 1.00 0.00 WT1 O ATOM 14147 H1 TIP3 4224 64.615 53.536 59.843 1.00 0.00 WT1 H ATOM 14148 H2 TIP3 4224 64.809 53.056 61.266 1.00 0.00 WT1 H ATOM 14149 OH2 TIP3 4225 67.703 25.989 0.381 1.00 0.00 WT1 O ATOM 14150 H1 TIP3 4225 68.217 26.603 -0.144 1.00 0.00 WT1 H ATOM 14151 H2 TIP3 4225 66.993 26.519 0.743 1.00 0.00 WT1 H ATOM 14152 OH2 TIP3 4226 52.785 28.277 -5.467 1.00 0.00 WT1 O ATOM 14153 H1 TIP3 4226 52.687 28.916 -4.761 1.00 0.00 WT1 H ATOM 14154 H2 TIP3 4226 52.165 28.563 -6.138 1.00 0.00 WT1 H ATOM 14155 OH2 TIP3 4227 39.267 44.351 -1.609 1.00 0.00 WT1 O ATOM 14156 H1 TIP3 4227 39.932 45.009 -1.406 1.00 0.00 WT1 H ATOM 14157 H2 TIP3 4227 39.669 43.518 -1.360 1.00 0.00 WT1 H ATOM 14158 OH2 TIP3 4228 43.343 72.737 -15.046 1.00 0.00 WT1 O ATOM 14159 H1 TIP3 4228 42.432 72.759 -15.337 1.00 0.00 WT1 H ATOM 14160 H2 TIP3 4228 43.293 72.811 -14.093 1.00 0.00 WT1 H ATOM 14161 OH2 TIP3 4229 78.340 12.770 55.175 1.00 0.00 WT1 O ATOM 14162 H1 TIP3 4229 79.001 12.837 54.486 1.00 0.00 WT1 H ATOM 14163 H2 TIP3 4229 78.404 11.865 55.482 1.00 0.00 WT1 H ATOM 14164 OH2 TIP3 4231 26.593 16.430 44.552 1.00 0.00 WT1 O ATOM 14165 H1 TIP3 4231 26.768 16.827 45.406 1.00 0.00 WT1 H ATOM 14166 H2 TIP3 4231 27.092 16.963 43.934 1.00 0.00 WT1 H ATOM 14167 OH2 TIP3 4232 64.090 16.734 24.233 1.00 0.00 WT1 O ATOM 14168 H1 TIP3 4232 64.288 17.534 23.745 1.00 0.00 WT1 H ATOM 14169 H2 TIP3 4232 63.181 16.842 24.511 1.00 0.00 WT1 H ATOM 14170 OH2 TIP3 4234 32.410 29.865 -7.129 1.00 0.00 WT1 O ATOM 14171 H1 TIP3 4234 32.676 30.661 -7.591 1.00 0.00 WT1 H ATOM 14172 H2 TIP3 4234 33.233 29.466 -6.846 1.00 0.00 WT1 H ATOM 14173 OH2 TIP3 4239 89.772 4.611 -12.724 1.00 0.00 WT1 O ATOM 14174 H1 TIP3 4239 89.365 4.189 -13.480 1.00 0.00 WT1 H ATOM 14175 H2 TIP3 4239 90.257 3.909 -12.289 1.00 0.00 WT1 H ATOM 14176 OH2 TIP3 4240 45.675 55.084 47.190 1.00 0.00 WT1 O ATOM 14177 H1 TIP3 4240 44.882 54.571 47.033 1.00 0.00 WT1 H ATOM 14178 H2 TIP3 4240 45.415 55.988 47.011 1.00 0.00 WT1 H ATOM 14179 OH2 TIP3 4241 57.031 19.980 62.537 1.00 0.00 WT1 O ATOM 14180 H1 TIP3 4241 56.350 20.143 61.884 1.00 0.00 WT1 H ATOM 14181 H2 TIP3 4241 56.878 20.640 63.213 1.00 0.00 WT1 H ATOM 14182 OH2 TIP3 4243 56.894 2.091 -9.562 1.00 0.00 WT1 O ATOM 14183 H1 TIP3 4243 57.269 1.886 -8.705 1.00 0.00 WT1 H ATOM 14184 H2 TIP3 4243 56.873 1.252 -10.022 1.00 0.00 WT1 H ATOM 14185 OH2 TIP3 4245 53.406 35.385 -11.877 1.00 0.00 WT1 O ATOM 14186 H1 TIP3 4245 53.712 36.091 -11.307 1.00 0.00 WT1 H ATOM 14187 H2 TIP3 4245 53.794 35.581 -12.730 1.00 0.00 WT1 H ATOM 14188 OH2 TIP3 4246 22.209 88.764 48.690 1.00 0.00 WT1 O ATOM 14189 H1 TIP3 4246 21.471 89.095 49.202 1.00 0.00 WT1 H ATOM 14190 H2 TIP3 4246 22.805 89.509 48.619 1.00 0.00 WT1 H ATOM 14191 OH2 TIP3 4247 61.433 75.285 -12.687 1.00 0.00 WT1 O ATOM 14192 H1 TIP3 4247 61.190 75.428 -11.773 1.00 0.00 WT1 H ATOM 14193 H2 TIP3 4247 62.372 75.100 -12.661 1.00 0.00 WT1 H ATOM 14194 OH2 TIP3 4249 62.315 28.392 46.099 1.00 0.00 WT1 O ATOM 14195 H1 TIP3 4249 61.916 27.545 46.300 1.00 0.00 WT1 H ATOM 14196 H2 TIP3 4249 61.890 28.670 45.287 1.00 0.00 WT1 H ATOM 14197 OH2 TIP3 4251 87.236 18.053 2.755 1.00 0.00 WT1 O ATOM 14198 H1 TIP3 4251 87.175 17.521 3.549 1.00 0.00 WT1 H ATOM 14199 H2 TIP3 4251 86.836 17.514 2.073 1.00 0.00 WT1 H ATOM 14200 OH2 TIP3 4255 51.046 42.927 24.265 1.00 0.00 WT1 O ATOM 14201 H1 TIP3 4255 50.887 43.665 23.676 1.00 0.00 WT1 H ATOM 14202 H2 TIP3 4255 51.778 42.456 23.866 1.00 0.00 WT1 H ATOM 14203 OH2 TIP3 4258 54.513 44.347 40.404 1.00 0.00 WT1 O ATOM 14204 H1 TIP3 4258 54.302 45.092 39.841 1.00 0.00 WT1 H ATOM 14205 H2 TIP3 4258 55.420 44.496 40.669 1.00 0.00 WT1 H ATOM 14206 OH2 TIP3 4259 37.403 45.919 46.019 1.00 0.00 WT1 O ATOM 14207 H1 TIP3 4259 36.781 46.629 46.175 1.00 0.00 WT1 H ATOM 14208 H2 TIP3 4259 38.254 46.290 46.250 1.00 0.00 WT1 H ATOM 14209 OH2 TIP3 4261 75.429 37.005 17.381 1.00 0.00 WT1 O ATOM 14210 H1 TIP3 4261 75.202 37.932 17.452 1.00 0.00 WT1 H ATOM 14211 H2 TIP3 4261 74.720 36.549 17.837 1.00 0.00 WT1 H ATOM 14212 OH2 TIP3 4262 82.049 31.813 1.267 1.00 0.00 WT1 O ATOM 14213 H1 TIP3 4262 82.781 31.217 1.426 1.00 0.00 WT1 H ATOM 14214 H2 TIP3 4262 81.302 31.394 1.696 1.00 0.00 WT1 H ATOM 14215 OH2 TIP3 4263 21.515 85.801 36.548 1.00 0.00 WT1 O ATOM 14216 H1 TIP3 4263 21.415 86.386 37.299 1.00 0.00 WT1 H ATOM 14217 H2 TIP3 4263 21.079 84.992 36.815 1.00 0.00 WT1 H ATOM 14218 OH2 TIP3 4264 51.242 37.147 40.361 1.00 0.00 WT1 O ATOM 14219 H1 TIP3 4264 51.770 36.483 39.918 1.00 0.00 WT1 H ATOM 14220 H2 TIP3 4264 51.032 37.783 39.676 1.00 0.00 WT1 H ATOM 14221 OH2 TIP3 4266 82.201 62.121 -18.737 1.00 0.00 WT1 O ATOM 14222 H1 TIP3 4266 82.637 61.354 -18.366 1.00 0.00 WT1 H ATOM 14223 H2 TIP3 4266 82.874 62.545 -19.269 1.00 0.00 WT1 H ATOM 14224 OH2 TIP3 4267 49.429 17.840 -2.167 1.00 0.00 WT1 O ATOM 14225 H1 TIP3 4267 49.396 18.750 -1.874 1.00 0.00 WT1 H ATOM 14226 H2 TIP3 4267 49.965 17.861 -2.959 1.00 0.00 WT1 H ATOM 14227 OH2 TIP3 4268 60.206 92.518 14.371 1.00 0.00 WT1 O ATOM 14228 H1 TIP3 4268 60.428 91.600 14.526 1.00 0.00 WT1 H ATOM 14229 H2 TIP3 4268 60.144 92.593 13.419 1.00 0.00 WT1 H ATOM 14230 OH2 TIP3 4269 83.667 35.927 6.493 1.00 0.00 WT1 O ATOM 14231 H1 TIP3 4269 83.927 36.106 5.589 1.00 0.00 WT1 H ATOM 14232 H2 TIP3 4269 82.797 36.316 6.574 1.00 0.00 WT1 H ATOM 14233 OH2 TIP3 4273 52.028 5.096 -18.952 1.00 0.00 WT1 O ATOM 14234 H1 TIP3 4273 52.942 5.177 -18.678 1.00 0.00 WT1 H ATOM 14235 H2 TIP3 4273 51.876 4.153 -19.008 1.00 0.00 WT1 H ATOM 14236 OH2 TIP3 4279 33.517 33.746 7.028 1.00 0.00 WT1 O ATOM 14237 H1 TIP3 4279 34.374 33.389 6.795 1.00 0.00 WT1 H ATOM 14238 H2 TIP3 4279 32.971 33.582 6.259 1.00 0.00 WT1 H ATOM 14239 OH2 TIP3 4282 46.147 34.001 54.923 1.00 0.00 WT1 O ATOM 14240 H1 TIP3 4282 46.340 34.928 54.783 1.00 0.00 WT1 H ATOM 14241 H2 TIP3 4282 45.967 33.932 55.861 1.00 0.00 WT1 H ATOM 14242 OH2 TIP3 4283 76.671 49.327 48.689 1.00 0.00 WT1 O ATOM 14243 H1 TIP3 4283 75.751 49.066 48.735 1.00 0.00 WT1 H ATOM 14244 H2 TIP3 4283 76.676 50.087 48.107 1.00 0.00 WT1 H ATOM 14245 OH2 TIP3 4284 68.254 69.800 50.813 1.00 0.00 WT1 O ATOM 14246 H1 TIP3 4284 68.632 69.545 49.971 1.00 0.00 WT1 H ATOM 14247 H2 TIP3 4284 68.478 69.081 51.404 1.00 0.00 WT1 H ATOM 14248 OH2 TIP3 4286 44.256 7.307 49.855 1.00 0.00 WT1 O ATOM 14249 H1 TIP3 4286 43.871 6.568 50.327 1.00 0.00 WT1 H ATOM 14250 H2 TIP3 4286 43.546 7.637 49.305 1.00 0.00 WT1 H ATOM 14251 OH2 TIP3 4287 64.414 68.057 -15.555 1.00 0.00 WT1 O ATOM 14252 H1 TIP3 4287 65.206 67.639 -15.219 1.00 0.00 WT1 H ATOM 14253 H2 TIP3 4287 64.457 67.926 -16.503 1.00 0.00 WT1 H ATOM 14254 OH2 TIP3 4288 61.537 8.992 20.470 1.00 0.00 WT1 O ATOM 14255 H1 TIP3 4288 62.252 8.768 19.874 1.00 0.00 WT1 H ATOM 14256 H2 TIP3 4288 61.774 9.852 20.817 1.00 0.00 WT1 H ATOM 14257 OH2 TIP3 4289 56.367 5.351 13.193 1.00 0.00 WT1 O ATOM 14258 H1 TIP3 4289 55.495 5.392 13.585 1.00 0.00 WT1 H ATOM 14259 H2 TIP3 4289 56.899 4.886 13.840 1.00 0.00 WT1 H ATOM 14260 OH2 TIP3 4290 37.639 23.610 60.567 1.00 0.00 WT1 O ATOM 14261 H1 TIP3 4290 38.237 23.735 61.304 1.00 0.00 WT1 H ATOM 14262 H2 TIP3 4290 37.684 22.673 60.378 1.00 0.00 WT1 H ATOM 14263 OH2 TIP3 4292 73.594 48.985 26.217 1.00 0.00 WT1 O ATOM 14264 H1 TIP3 4292 73.014 48.657 25.530 1.00 0.00 WT1 H ATOM 14265 H2 TIP3 4292 73.672 49.922 26.037 1.00 0.00 WT1 H ATOM 14266 OH2 TIP3 4294 24.560 64.323 60.137 1.00 0.00 WT1 O ATOM 14267 H1 TIP3 4294 24.759 65.222 59.874 1.00 0.00 WT1 H ATOM 14268 H2 TIP3 4294 25.414 63.934 60.329 1.00 0.00 WT1 H ATOM 14269 OH2 TIP3 4296 90.370 23.698 39.043 1.00 0.00 WT1 O ATOM 14270 H1 TIP3 4296 90.141 24.553 39.406 1.00 0.00 WT1 H ATOM 14271 H2 TIP3 4296 91.325 23.658 39.108 1.00 0.00 WT1 H ATOM 14272 OH2 TIP3 4297 41.699 23.683 13.866 1.00 0.00 WT1 O ATOM 14273 H1 TIP3 4297 41.560 22.978 13.234 1.00 0.00 WT1 H ATOM 14274 H2 TIP3 4297 42.649 23.796 13.893 1.00 0.00 WT1 H ATOM 14275 OH2 TIP3 4299 42.642 87.449 13.577 1.00 0.00 WT1 O ATOM 14276 H1 TIP3 4299 43.102 87.372 12.741 1.00 0.00 WT1 H ATOM 14277 H2 TIP3 4299 42.978 86.723 14.103 1.00 0.00 WT1 H ATOM 14278 OH2 TIP3 4301 59.106 33.267 49.176 1.00 0.00 WT1 O ATOM 14279 H1 TIP3 4301 59.535 32.906 48.401 1.00 0.00 WT1 H ATOM 14280 H2 TIP3 4301 58.266 33.596 48.854 1.00 0.00 WT1 H ATOM 14281 OH2 TIP3 4303 48.117 85.603 60.683 1.00 0.00 WT1 O ATOM 14282 H1 TIP3 4303 48.794 86.261 60.528 1.00 0.00 WT1 H ATOM 14283 H2 TIP3 4303 48.527 84.972 61.275 1.00 0.00 WT1 H ATOM 14284 OH2 TIP3 4304 20.674 82.868 -13.825 1.00 0.00 WT1 O ATOM 14285 H1 TIP3 4304 19.894 82.625 -13.326 1.00 0.00 WT1 H ATOM 14286 H2 TIP3 4304 21.201 83.381 -13.213 1.00 0.00 WT1 H ATOM 14287 OH2 TIP3 4306 62.474 48.272 5.488 1.00 0.00 WT1 O ATOM 14288 H1 TIP3 4306 62.699 49.105 5.903 1.00 0.00 WT1 H ATOM 14289 H2 TIP3 4306 62.381 47.658 6.217 1.00 0.00 WT1 H ATOM 14290 OH2 TIP3 4307 34.728 9.762 11.482 1.00 0.00 WT1 O ATOM 14291 H1 TIP3 4307 34.644 8.851 11.200 1.00 0.00 WT1 H ATOM 14292 H2 TIP3 4307 33.948 9.922 12.012 1.00 0.00 WT1 H ATOM 14293 OH2 TIP3 4308 22.498 38.561 12.789 1.00 0.00 WT1 O ATOM 14294 H1 TIP3 4308 22.245 38.222 13.648 1.00 0.00 WT1 H ATOM 14295 H2 TIP3 4308 21.803 39.178 12.561 1.00 0.00 WT1 H ATOM 14296 OH2 TIP3 4309 66.395 57.141 27.770 1.00 0.00 WT1 O ATOM 14297 H1 TIP3 4309 66.391 57.715 28.536 1.00 0.00 WT1 H ATOM 14298 H2 TIP3 4309 65.497 57.175 27.440 1.00 0.00 WT1 H ATOM 14299 OH2 TIP3 4311 68.955 73.032 -10.161 1.00 0.00 WT1 O ATOM 14300 H1 TIP3 4311 69.189 72.153 -9.862 1.00 0.00 WT1 H ATOM 14301 H2 TIP3 4311 68.075 73.177 -9.813 1.00 0.00 WT1 H ATOM 14302 OH2 TIP3 4312 77.046 29.898 18.329 1.00 0.00 WT1 O ATOM 14303 H1 TIP3 4312 76.606 30.418 19.002 1.00 0.00 WT1 H ATOM 14304 H2 TIP3 4312 77.012 30.444 17.544 1.00 0.00 WT1 H ATOM 14305 OH2 TIP3 4313 19.999 26.058 41.257 1.00 0.00 WT1 O ATOM 14306 H1 TIP3 4313 20.573 26.298 40.530 1.00 0.00 WT1 H ATOM 14307 H2 TIP3 4313 20.475 25.367 41.719 1.00 0.00 WT1 H ATOM 14308 OH2 TIP3 4317 58.539 72.853 -9.777 1.00 0.00 WT1 O ATOM 14309 H1 TIP3 4317 57.820 72.739 -9.155 1.00 0.00 WT1 H ATOM 14310 H2 TIP3 4317 58.352 72.228 -10.478 1.00 0.00 WT1 H ATOM 14311 OH2 TIP3 4318 76.457 39.403 36.990 1.00 0.00 WT1 O ATOM 14312 H1 TIP3 4318 77.014 38.771 36.536 1.00 0.00 WT1 H ATOM 14313 H2 TIP3 4318 76.463 40.177 36.426 1.00 0.00 WT1 H ATOM 14314 OH2 TIP3 4319 38.652 49.545 36.676 1.00 0.00 WT1 O ATOM 14315 H1 TIP3 4319 39.317 50.041 36.198 1.00 0.00 WT1 H ATOM 14316 H2 TIP3 4319 38.309 50.163 37.322 1.00 0.00 WT1 H ATOM 14317 OH2 TIP3 4321 47.721 19.009 -19.302 1.00 0.00 WT1 O ATOM 14318 H1 TIP3 4321 47.255 19.226 -18.494 1.00 0.00 WT1 H ATOM 14319 H2 TIP3 4321 48.622 19.289 -19.142 1.00 0.00 WT1 H ATOM 14320 OH2 TIP3 4322 56.646 59.549 40.196 1.00 0.00 WT1 O ATOM 14321 H1 TIP3 4322 56.183 59.787 39.393 1.00 0.00 WT1 H ATOM 14322 H2 TIP3 4322 55.998 59.667 40.891 1.00 0.00 WT1 H ATOM 14323 OH2 TIP3 4323 55.437 62.435 42.638 1.00 0.00 WT1 O ATOM 14324 H1 TIP3 4323 55.959 62.356 41.840 1.00 0.00 WT1 H ATOM 14325 H2 TIP3 4323 55.465 61.563 43.032 1.00 0.00 WT1 H ATOM 14326 OH2 TIP3 4325 47.009 52.640 10.061 1.00 0.00 WT1 O ATOM 14327 H1 TIP3 4325 47.686 52.049 10.391 1.00 0.00 WT1 H ATOM 14328 H2 TIP3 4325 46.697 53.104 10.838 1.00 0.00 WT1 H ATOM 14329 OH2 TIP3 4326 34.770 17.905 58.198 1.00 0.00 WT1 O ATOM 14330 H1 TIP3 4326 35.250 18.636 57.808 1.00 0.00 WT1 H ATOM 14331 H2 TIP3 4326 33.984 18.306 58.570 1.00 0.00 WT1 H ATOM 14332 OH2 TIP3 4328 41.198 45.280 10.728 1.00 0.00 WT1 O ATOM 14333 H1 TIP3 4328 41.431 45.836 11.471 1.00 0.00 WT1 H ATOM 14334 H2 TIP3 4328 41.895 45.428 10.089 1.00 0.00 WT1 H ATOM 14335 OH2 TIP3 4329 36.901 30.814 32.753 1.00 0.00 WT1 O ATOM 14336 H1 TIP3 4329 36.024 30.630 33.090 1.00 0.00 WT1 H ATOM 14337 H2 TIP3 4329 36.893 31.752 32.563 1.00 0.00 WT1 H ATOM 14338 OH2 TIP3 4330 46.211 73.353 15.421 1.00 0.00 WT1 O ATOM 14339 H1 TIP3 4330 46.372 72.418 15.546 1.00 0.00 WT1 H ATOM 14340 H2 TIP3 4330 45.899 73.424 14.519 1.00 0.00 WT1 H ATOM 14341 OH2 TIP3 4333 60.599 37.143 26.760 1.00 0.00 WT1 O ATOM 14342 H1 TIP3 4333 60.625 38.047 26.447 1.00 0.00 WT1 H ATOM 14343 H2 TIP3 4333 60.095 36.674 26.095 1.00 0.00 WT1 H ATOM 14344 OH2 TIP3 4334 37.779 90.944 32.638 1.00 0.00 WT1 O ATOM 14345 H1 TIP3 4334 38.074 90.798 33.537 1.00 0.00 WT1 H ATOM 14346 H2 TIP3 4334 38.400 91.580 32.283 1.00 0.00 WT1 H ATOM 14347 OH2 TIP3 4336 44.554 82.256 -19.374 1.00 0.00 WT1 O ATOM 14348 H1 TIP3 4336 43.927 82.750 -18.846 1.00 0.00 WT1 H ATOM 14349 H2 TIP3 4336 44.121 82.145 -20.220 1.00 0.00 WT1 H ATOM 14350 OH2 TIP3 4337 35.831 24.938 1.248 1.00 0.00 WT1 O ATOM 14351 H1 TIP3 4337 35.000 25.021 1.717 1.00 0.00 WT1 H ATOM 14352 H2 TIP3 4337 36.284 25.764 1.415 1.00 0.00 WT1 H ATOM 14353 OH2 TIP3 4340 56.098 45.451 22.437 1.00 0.00 WT1 O ATOM 14354 H1 TIP3 4340 56.176 46.348 22.761 1.00 0.00 WT1 H ATOM 14355 H2 TIP3 4340 56.009 45.546 21.488 1.00 0.00 WT1 H ATOM 14356 OH2 TIP3 4343 54.658 34.971 -19.785 1.00 0.00 WT1 O ATOM 14357 H1 TIP3 4343 54.366 35.827 -19.474 1.00 0.00 WT1 H ATOM 14358 H2 TIP3 4343 54.508 34.382 -19.046 1.00 0.00 WT1 H ATOM 14359 OH2 TIP3 4344 44.758 28.615 42.817 1.00 0.00 WT1 O ATOM 14360 H1 TIP3 4344 44.946 29.276 43.483 1.00 0.00 WT1 H ATOM 14361 H2 TIP3 4344 44.127 29.036 42.232 1.00 0.00 WT1 H ATOM 14362 OH2 TIP3 4346 63.311 11.308 30.216 1.00 0.00 WT1 O ATOM 14363 H1 TIP3 4346 62.920 12.125 30.527 1.00 0.00 WT1 H ATOM 14364 H2 TIP3 4346 62.645 10.926 29.644 1.00 0.00 WT1 H ATOM 14365 OH2 TIP3 4347 26.125 93.045 22.773 1.00 0.00 WT1 O ATOM 14366 H1 TIP3 4347 26.935 93.405 23.135 1.00 0.00 WT1 H ATOM 14367 H2 TIP3 4347 25.623 92.765 23.538 1.00 0.00 WT1 H ATOM 14368 OH2 TIP3 4350 56.734 19.747 47.904 1.00 0.00 WT1 O ATOM 14369 H1 TIP3 4350 56.939 19.091 47.238 1.00 0.00 WT1 H ATOM 14370 H2 TIP3 4350 56.486 19.236 48.675 1.00 0.00 WT1 H ATOM 14371 OH2 TIP3 4351 76.496 26.342 59.857 1.00 0.00 WT1 O ATOM 14372 H1 TIP3 4351 76.738 25.797 60.606 1.00 0.00 WT1 H ATOM 14373 H2 TIP3 4351 77.198 26.990 59.796 1.00 0.00 WT1 H ATOM 14374 OH2 TIP3 4352 48.350 79.875 13.933 1.00 0.00 WT1 O ATOM 14375 H1 TIP3 4352 47.417 79.732 13.776 1.00 0.00 WT1 H ATOM 14376 H2 TIP3 4352 48.537 79.387 14.735 1.00 0.00 WT1 H ATOM 14377 OH2 TIP3 4353 27.323 94.843 20.763 1.00 0.00 WT1 O ATOM 14378 H1 TIP3 4353 26.803 94.216 21.265 1.00 0.00 WT1 H ATOM 14379 H2 TIP3 4353 27.021 94.736 19.861 1.00 0.00 WT1 H ATOM 14380 OH2 TIP3 4355 81.591 81.235 -1.824 1.00 0.00 WT1 O ATOM 14381 H1 TIP3 4355 82.545 81.292 -1.766 1.00 0.00 WT1 H ATOM 14382 H2 TIP3 4355 81.322 80.855 -0.988 1.00 0.00 WT1 H ATOM 14383 OH2 TIP3 4356 75.014 13.254 -10.671 1.00 0.00 WT1 O ATOM 14384 H1 TIP3 4356 74.578 12.991 -11.482 1.00 0.00 WT1 H ATOM 14385 H2 TIP3 4356 74.519 14.014 -10.368 1.00 0.00 WT1 H ATOM 14386 OH2 TIP3 4357 63.113 77.726 54.012 1.00 0.00 WT1 O ATOM 14387 H1 TIP3 4357 62.626 78.294 53.415 1.00 0.00 WT1 H ATOM 14388 H2 TIP3 4357 62.467 77.092 54.322 1.00 0.00 WT1 H ATOM 14389 OH2 TIP3 4363 28.285 4.226 53.412 1.00 0.00 WT1 O ATOM 14390 H1 TIP3 4363 28.977 3.565 53.421 1.00 0.00 WT1 H ATOM 14391 H2 TIP3 4363 28.223 4.496 52.496 1.00 0.00 WT1 H ATOM 14392 OH2 TIP3 4364 41.363 50.932 -5.987 1.00 0.00 WT1 O ATOM 14393 H1 TIP3 4364 42.161 50.475 -5.722 1.00 0.00 WT1 H ATOM 14394 H2 TIP3 4364 40.719 50.235 -6.115 1.00 0.00 WT1 H ATOM 14395 OH2 TIP3 4365 26.696 89.034 42.480 1.00 0.00 WT1 O ATOM 14396 H1 TIP3 4365 27.579 88.941 42.836 1.00 0.00 WT1 H ATOM 14397 H2 TIP3 4365 26.552 88.230 41.981 1.00 0.00 WT1 H ATOM 14398 OH2 TIP3 4366 26.785 80.642 51.829 1.00 0.00 WT1 O ATOM 14399 H1 TIP3 4366 27.081 81.038 51.009 1.00 0.00 WT1 H ATOM 14400 H2 TIP3 4366 26.016 80.128 51.583 1.00 0.00 WT1 H ATOM 14401 OH2 TIP3 4372 88.039 56.115 49.441 1.00 0.00 WT1 O ATOM 14402 H1 TIP3 4372 88.483 56.773 48.906 1.00 0.00 WT1 H ATOM 14403 H2 TIP3 4372 88.609 56.000 50.202 1.00 0.00 WT1 H ATOM 14404 OH2 TIP3 4373 84.844 83.599 51.943 1.00 0.00 WT1 O ATOM 14405 H1 TIP3 4373 85.593 84.099 52.267 1.00 0.00 WT1 H ATOM 14406 H2 TIP3 4373 85.179 83.137 51.174 1.00 0.00 WT1 H ATOM 14407 OH2 TIP3 4374 88.500 1.227 58.877 1.00 0.00 WT1 O ATOM 14408 H1 TIP3 4374 89.176 1.857 59.127 1.00 0.00 WT1 H ATOM 14409 H2 TIP3 4374 88.442 0.629 59.622 1.00 0.00 WT1 H ATOM 14410 OH2 TIP3 4375 38.532 66.031 18.241 1.00 0.00 WT1 O ATOM 14411 H1 TIP3 4375 39.262 65.664 17.742 1.00 0.00 WT1 H ATOM 14412 H2 TIP3 4375 38.043 65.268 18.548 1.00 0.00 WT1 H ATOM 14413 OH2 TIP3 4376 78.246 66.887 -10.843 1.00 0.00 WT1 O ATOM 14414 H1 TIP3 4376 78.766 66.807 -10.043 1.00 0.00 WT1 H ATOM 14415 H2 TIP3 4376 78.675 66.302 -11.467 1.00 0.00 WT1 H ATOM 14416 OH2 TIP3 4377 41.914 87.921 51.612 1.00 0.00 WT1 O ATOM 14417 H1 TIP3 4377 41.025 87.752 51.299 1.00 0.00 WT1 H ATOM 14418 H2 TIP3 4377 41.995 88.875 51.599 1.00 0.00 WT1 H ATOM 14419 OH2 TIP3 4378 28.720 87.605 38.941 1.00 0.00 WT1 O ATOM 14420 H1 TIP3 4378 27.945 87.242 38.512 1.00 0.00 WT1 H ATOM 14421 H2 TIP3 4378 29.132 86.853 39.367 1.00 0.00 WT1 H ATOM 14422 OH2 TIP3 4379 31.620 38.847 59.461 1.00 0.00 WT1 O ATOM 14423 H1 TIP3 4379 31.560 38.579 58.544 1.00 0.00 WT1 H ATOM 14424 H2 TIP3 4379 32.080 39.686 59.437 1.00 0.00 WT1 H ATOM 14425 OH2 TIP3 4380 56.596 2.530 7.110 1.00 0.00 WT1 O ATOM 14426 H1 TIP3 4380 55.868 2.478 7.730 1.00 0.00 WT1 H ATOM 14427 H2 TIP3 4380 56.681 3.464 6.919 1.00 0.00 WT1 H ATOM 14428 OH2 TIP3 4381 58.068 73.553 33.089 1.00 0.00 WT1 O ATOM 14429 H1 TIP3 4381 58.268 73.074 32.285 1.00 0.00 WT1 H ATOM 14430 H2 TIP3 4381 57.608 72.918 33.639 1.00 0.00 WT1 H ATOM 14431 OH2 TIP3 4382 23.980 60.323 31.847 1.00 0.00 WT1 O ATOM 14432 H1 TIP3 4382 24.582 61.059 31.740 1.00 0.00 WT1 H ATOM 14433 H2 TIP3 4382 24.387 59.608 31.357 1.00 0.00 WT1 H ATOM 14434 OH2 TIP3 4383 80.797 54.453 -14.553 1.00 0.00 WT1 O ATOM 14435 H1 TIP3 4383 80.105 55.002 -14.184 1.00 0.00 WT1 H ATOM 14436 H2 TIP3 4383 80.821 53.683 -13.984 1.00 0.00 WT1 H ATOM 14437 OH2 TIP3 4384 41.768 51.331 43.675 1.00 0.00 WT1 O ATOM 14438 H1 TIP3 4384 42.693 51.283 43.433 1.00 0.00 WT1 H ATOM 14439 H2 TIP3 4384 41.600 52.266 43.794 1.00 0.00 WT1 H ATOM 14440 OH2 TIP3 4386 83.993 91.838 -14.164 1.00 0.00 WT1 O ATOM 14441 H1 TIP3 4386 84.096 91.051 -13.627 1.00 0.00 WT1 H ATOM 14442 H2 TIP3 4386 83.184 91.689 -14.654 1.00 0.00 WT1 H ATOM 14443 OH2 TIP3 4387 39.676 76.673 -18.313 1.00 0.00 WT1 O ATOM 14444 H1 TIP3 4387 40.423 76.855 -17.744 1.00 0.00 WT1 H ATOM 14445 H2 TIP3 4387 39.866 77.151 -19.120 1.00 0.00 WT1 H ATOM 14446 OH2 TIP3 4388 36.410 79.189 67.184 1.00 0.00 WT1 O ATOM 14447 H1 TIP3 4388 36.514 78.542 66.486 1.00 0.00 WT1 H ATOM 14448 H2 TIP3 4388 36.373 80.030 66.729 1.00 0.00 WT1 H ATOM 14449 OH2 TIP3 4389 20.404 19.839 46.444 1.00 0.00 WT1 O ATOM 14450 H1 TIP3 4389 21.113 20.317 46.012 1.00 0.00 WT1 H ATOM 14451 H2 TIP3 4389 19.808 19.602 45.734 1.00 0.00 WT1 H ATOM 14452 OH2 TIP3 4390 72.356 28.890 -17.015 1.00 0.00 WT1 O ATOM 14453 H1 TIP3 4390 73.172 28.952 -17.510 1.00 0.00 WT1 H ATOM 14454 H2 TIP3 4390 72.633 28.723 -16.114 1.00 0.00 WT1 H ATOM 14455 OH2 TIP3 4391 59.319 24.033 44.021 1.00 0.00 WT1 O ATOM 14456 H1 TIP3 4391 58.900 24.754 43.551 1.00 0.00 WT1 H ATOM 14457 H2 TIP3 4391 59.663 23.464 43.332 1.00 0.00 WT1 H ATOM 14458 OH2 TIP3 4392 64.492 79.064 59.173 1.00 0.00 WT1 O ATOM 14459 H1 TIP3 4392 64.161 79.386 60.011 1.00 0.00 WT1 H ATOM 14460 H2 TIP3 4392 63.893 79.431 58.522 1.00 0.00 WT1 H ATOM 14461 OH2 TIP3 4394 27.901 40.299 -3.133 1.00 0.00 WT1 O ATOM 14462 H1 TIP3 4394 28.016 41.221 -3.365 1.00 0.00 WT1 H ATOM 14463 H2 TIP3 4394 27.062 40.056 -3.525 1.00 0.00 WT1 H ATOM 14464 OH2 TIP3 4395 71.544 51.540 19.668 1.00 0.00 WT1 O ATOM 14465 H1 TIP3 4395 70.590 51.462 19.683 1.00 0.00 WT1 H ATOM 14466 H2 TIP3 4395 71.770 51.884 20.532 1.00 0.00 WT1 H ATOM 14467 OH2 TIP3 4396 26.365 50.264 -7.647 1.00 0.00 WT1 O ATOM 14468 H1 TIP3 4396 25.531 50.705 -7.810 1.00 0.00 WT1 H ATOM 14469 H2 TIP3 4396 26.998 50.743 -8.182 1.00 0.00 WT1 H ATOM 14470 OH2 TIP3 4397 47.572 93.987 -6.096 1.00 0.00 WT1 O ATOM 14471 H1 TIP3 4397 46.734 94.389 -5.863 1.00 0.00 WT1 H ATOM 14472 H2 TIP3 4397 47.870 94.480 -6.860 1.00 0.00 WT1 H ATOM 14473 OH2 TIP3 4398 43.371 48.806 -2.241 1.00 0.00 WT1 O ATOM 14474 H1 TIP3 4398 44.034 48.770 -1.551 1.00 0.00 WT1 H ATOM 14475 H2 TIP3 4398 42.837 49.569 -2.022 1.00 0.00 WT1 H ATOM 14476 OH2 TIP3 4401 43.199 55.574 43.250 1.00 0.00 WT1 O ATOM 14477 H1 TIP3 4401 43.827 56.174 42.847 1.00 0.00 WT1 H ATOM 14478 H2 TIP3 4401 43.127 54.849 42.629 1.00 0.00 WT1 H ATOM 14479 OH2 TIP3 4402 35.933 4.547 54.246 1.00 0.00 WT1 O ATOM 14480 H1 TIP3 4402 36.273 4.928 55.056 1.00 0.00 WT1 H ATOM 14481 H2 TIP3 4402 35.989 5.256 53.606 1.00 0.00 WT1 H ATOM 14482 OH2 TIP3 4403 60.783 19.110 53.082 1.00 0.00 WT1 O ATOM 14483 H1 TIP3 4403 59.936 19.125 52.636 1.00 0.00 WT1 H ATOM 14484 H2 TIP3 4403 60.568 19.220 54.008 1.00 0.00 WT1 H ATOM 14485 OH2 TIP3 4404 61.813 75.767 15.686 1.00 0.00 WT1 O ATOM 14486 H1 TIP3 4404 62.327 74.974 15.531 1.00 0.00 WT1 H ATOM 14487 H2 TIP3 4404 61.130 75.494 16.299 1.00 0.00 WT1 H ATOM 14488 OH2 TIP3 4405 25.369 92.390 -16.032 1.00 0.00 WT1 O ATOM 14489 H1 TIP3 4405 25.890 91.755 -15.540 1.00 0.00 WT1 H ATOM 14490 H2 TIP3 4405 25.310 92.021 -16.913 1.00 0.00 WT1 H ATOM 14491 OH2 TIP3 4407 44.645 95.506 -6.801 1.00 0.00 WT1 O ATOM 14492 H1 TIP3 4407 44.139 95.540 -5.989 1.00 0.00 WT1 H ATOM 14493 H2 TIP3 4407 44.024 95.190 -7.458 1.00 0.00 WT1 H ATOM 14494 OH2 TIP3 4409 50.973 14.961 12.918 1.00 0.00 WT1 O ATOM 14495 H1 TIP3 4409 51.737 15.043 13.488 1.00 0.00 WT1 H ATOM 14496 H2 TIP3 4409 50.958 14.037 12.669 1.00 0.00 WT1 H ATOM 14497 OH2 TIP3 4411 53.156 73.626 63.435 1.00 0.00 WT1 O ATOM 14498 H1 TIP3 4411 53.515 74.206 64.107 1.00 0.00 WT1 H ATOM 14499 H2 TIP3 4411 52.575 73.035 63.913 1.00 0.00 WT1 H ATOM 14500 OH2 TIP3 4412 25.550 27.542 20.342 1.00 0.00 WT1 O ATOM 14501 H1 TIP3 4412 24.822 26.943 20.176 1.00 0.00 WT1 H ATOM 14502 H2 TIP3 4412 25.414 28.261 19.724 1.00 0.00 WT1 H ATOM 14503 OH2 TIP3 4414 83.356 92.785 9.120 1.00 0.00 WT1 O ATOM 14504 H1 TIP3 4414 82.592 92.514 9.629 1.00 0.00 WT1 H ATOM 14505 H2 TIP3 4414 83.192 92.446 8.241 1.00 0.00 WT1 H ATOM 14506 OH2 TIP3 4415 20.665 96.312 20.155 1.00 0.00 WT1 O ATOM 14507 H1 TIP3 4415 19.782 96.025 20.387 1.00 0.00 WT1 H ATOM 14508 H2 TIP3 4415 20.630 96.455 19.209 1.00 0.00 WT1 H ATOM 14509 OH2 TIP3 4416 43.055 73.680 -2.187 1.00 0.00 WT1 O ATOM 14510 H1 TIP3 4416 42.453 72.946 -2.309 1.00 0.00 WT1 H ATOM 14511 H2 TIP3 4416 42.902 73.968 -1.287 1.00 0.00 WT1 H ATOM 14512 OH2 TIP3 4417 33.251 80.491 28.071 1.00 0.00 WT1 O ATOM 14513 H1 TIP3 4417 32.393 80.108 27.887 1.00 0.00 WT1 H ATOM 14514 H2 TIP3 4417 33.739 79.790 28.502 1.00 0.00 WT1 H ATOM 14515 OH2 TIP3 4419 52.085 27.437 57.743 1.00 0.00 WT1 O ATOM 14516 H1 TIP3 4419 51.645 28.155 57.288 1.00 0.00 WT1 H ATOM 14517 H2 TIP3 4419 51.787 26.648 57.291 1.00 0.00 WT1 H ATOM 14518 OH2 TIP3 4421 88.841 32.493 -9.523 1.00 0.00 WT1 O ATOM 14519 H1 TIP3 4421 88.267 31.911 -9.025 1.00 0.00 WT1 H ATOM 14520 H2 TIP3 4421 89.725 32.246 -9.252 1.00 0.00 WT1 H ATOM 14521 OH2 TIP3 4422 86.974 9.041 1.740 1.00 0.00 WT1 O ATOM 14522 H1 TIP3 4422 87.805 8.782 1.341 1.00 0.00 WT1 H ATOM 14523 H2 TIP3 4422 86.707 9.821 1.254 1.00 0.00 WT1 H ATOM 14524 OH2 TIP3 4425 41.920 85.635 6.207 1.00 0.00 WT1 O ATOM 14525 H1 TIP3 4425 41.201 85.157 6.620 1.00 0.00 WT1 H ATOM 14526 H2 TIP3 4425 42.607 84.980 6.087 1.00 0.00 WT1 H ATOM 14527 OH2 TIP3 4427 29.091 87.302 -15.702 1.00 0.00 WT1 O ATOM 14528 H1 TIP3 4427 28.906 87.733 -16.537 1.00 0.00 WT1 H ATOM 14529 H2 TIP3 4427 28.249 86.938 -15.428 1.00 0.00 WT1 H ATOM 14530 OH2 TIP3 4428 24.580 84.878 30.219 1.00 0.00 WT1 O ATOM 14531 H1 TIP3 4428 24.875 84.298 29.517 1.00 0.00 WT1 H ATOM 14532 H2 TIP3 4428 24.025 84.326 30.770 1.00 0.00 WT1 H ATOM 14533 OH2 TIP3 4429 27.557 90.384 6.155 1.00 0.00 WT1 O ATOM 14534 H1 TIP3 4429 27.190 89.741 6.760 1.00 0.00 WT1 H ATOM 14535 H2 TIP3 4429 27.213 91.224 6.459 1.00 0.00 WT1 H ATOM 14536 OH2 TIP3 4432 30.397 25.407 36.346 1.00 0.00 WT1 O ATOM 14537 H1 TIP3 4432 30.075 25.146 37.209 1.00 0.00 WT1 H ATOM 14538 H2 TIP3 4432 31.113 24.800 36.164 1.00 0.00 WT1 H ATOM 14539 OH2 TIP3 4433 25.413 0.680 66.244 1.00 0.00 WT1 O ATOM 14540 H1 TIP3 4433 25.209 0.027 66.913 1.00 0.00 WT1 H ATOM 14541 H2 TIP3 4433 25.426 1.512 66.717 1.00 0.00 WT1 H ATOM 14542 OH2 TIP3 4434 29.034 32.546 -13.270 1.00 0.00 WT1 O ATOM 14543 H1 TIP3 4434 29.532 33.322 -13.530 1.00 0.00 WT1 H ATOM 14544 H2 TIP3 4434 28.987 32.600 -12.316 1.00 0.00 WT1 H ATOM 14545 OH2 TIP3 4435 86.792 73.118 56.405 1.00 0.00 WT1 O ATOM 14546 H1 TIP3 4435 87.434 72.410 56.459 1.00 0.00 WT1 H ATOM 14547 H2 TIP3 4435 87.197 73.764 55.826 1.00 0.00 WT1 H ATOM 14548 OH2 TIP3 4436 68.339 17.707 42.609 1.00 0.00 WT1 O ATOM 14549 H1 TIP3 4436 68.938 16.960 42.605 1.00 0.00 WT1 H ATOM 14550 H2 TIP3 4436 67.479 17.325 42.432 1.00 0.00 WT1 H ATOM 14551 OH2 TIP3 4437 80.990 12.069 63.758 1.00 0.00 WT1 O ATOM 14552 H1 TIP3 4437 81.465 11.293 63.459 1.00 0.00 WT1 H ATOM 14553 H2 TIP3 4437 80.252 11.721 64.259 1.00 0.00 WT1 H ATOM 14554 OH2 TIP3 4438 56.331 86.748 44.852 1.00 0.00 WT1 O ATOM 14555 H1 TIP3 4438 55.514 87.036 44.443 1.00 0.00 WT1 H ATOM 14556 H2 TIP3 4438 56.736 86.176 44.200 1.00 0.00 WT1 H ATOM 14557 OH2 TIP3 4441 43.335 36.682 14.489 1.00 0.00 WT1 O ATOM 14558 H1 TIP3 4441 43.662 36.060 13.839 1.00 0.00 WT1 H ATOM 14559 H2 TIP3 4441 43.109 36.141 15.246 1.00 0.00 WT1 H ATOM 14560 OH2 TIP3 4442 42.987 75.460 4.244 1.00 0.00 WT1 O ATOM 14561 H1 TIP3 4442 43.162 74.532 4.090 1.00 0.00 WT1 H ATOM 14562 H2 TIP3 4442 43.346 75.631 5.115 1.00 0.00 WT1 H ATOM 14563 OH2 TIP3 4443 87.789 30.596 39.175 1.00 0.00 WT1 O ATOM 14564 H1 TIP3 4443 88.584 30.370 39.657 1.00 0.00 WT1 H ATOM 14565 H2 TIP3 4443 87.118 30.013 39.529 1.00 0.00 WT1 H ATOM 14566 OH2 TIP3 4444 57.508 68.612 5.391 1.00 0.00 WT1 O ATOM 14567 H1 TIP3 4444 57.587 69.510 5.712 1.00 0.00 WT1 H ATOM 14568 H2 TIP3 4444 57.069 68.142 6.099 1.00 0.00 WT1 H ATOM 14569 OH2 TIP3 4446 29.229 13.560 36.311 1.00 0.00 WT1 O ATOM 14570 H1 TIP3 4446 28.826 14.029 35.580 1.00 0.00 WT1 H ATOM 14571 H2 TIP3 4446 30.168 13.591 36.127 1.00 0.00 WT1 H ATOM 14572 OH2 TIP3 4449 64.047 3.743 35.171 1.00 0.00 WT1 O ATOM 14573 H1 TIP3 4449 64.690 4.446 35.262 1.00 0.00 WT1 H ATOM 14574 H2 TIP3 4449 63.340 4.131 34.655 1.00 0.00 WT1 H ATOM 14575 OH2 TIP3 4450 54.229 61.773 15.958 1.00 0.00 WT1 O ATOM 14576 H1 TIP3 4450 54.071 60.996 16.496 1.00 0.00 WT1 H ATOM 14577 H2 TIP3 4450 54.690 61.441 15.188 1.00 0.00 WT1 H ATOM 14578 OH2 TIP3 4451 81.751 11.853 39.924 1.00 0.00 WT1 O ATOM 14579 H1 TIP3 4451 82.405 11.362 40.422 1.00 0.00 WT1 H ATOM 14580 H2 TIP3 4451 82.194 12.082 39.107 1.00 0.00 WT1 H ATOM 14581 OH2 TIP3 4452 57.544 69.998 54.496 1.00 0.00 WT1 O ATOM 14582 H1 TIP3 4452 57.584 69.799 55.431 1.00 0.00 WT1 H ATOM 14583 H2 TIP3 4452 57.511 69.142 54.069 1.00 0.00 WT1 H ATOM 14584 OH2 TIP3 4453 76.282 22.349 8.082 1.00 0.00 WT1 O ATOM 14585 H1 TIP3 4453 77.003 22.071 7.517 1.00 0.00 WT1 H ATOM 14586 H2 TIP3 4453 76.378 21.818 8.873 1.00 0.00 WT1 H ATOM 14587 OH2 TIP3 4454 72.917 45.338 -17.194 1.00 0.00 WT1 O ATOM 14588 H1 TIP3 4454 73.650 45.101 -17.761 1.00 0.00 WT1 H ATOM 14589 H2 TIP3 4454 73.322 45.555 -16.355 1.00 0.00 WT1 H ATOM 14590 OH2 TIP3 4455 25.861 70.761 66.811 1.00 0.00 WT1 O ATOM 14591 H1 TIP3 4455 26.194 70.522 65.946 1.00 0.00 WT1 H ATOM 14592 H2 TIP3 4455 26.622 70.697 67.388 1.00 0.00 WT1 H ATOM 14593 OH2 TIP3 4456 60.396 81.684 -10.840 1.00 0.00 WT1 O ATOM 14594 H1 TIP3 4456 60.866 82.179 -11.512 1.00 0.00 WT1 H ATOM 14595 H2 TIP3 4456 61.085 81.334 -10.274 1.00 0.00 WT1 H ATOM 14596 OH2 TIP3 4457 43.180 3.087 23.261 1.00 0.00 WT1 O ATOM 14597 H1 TIP3 4457 42.248 2.961 23.083 1.00 0.00 WT1 H ATOM 14598 H2 TIP3 4457 43.279 2.864 24.187 1.00 0.00 WT1 H ATOM 14599 OH2 TIP3 4459 82.071 60.468 33.724 1.00 0.00 WT1 O ATOM 14600 H1 TIP3 4459 82.509 60.672 32.898 1.00 0.00 WT1 H ATOM 14601 H2 TIP3 4459 82.099 61.287 34.219 1.00 0.00 WT1 H ATOM 14602 OH2 TIP3 4460 47.636 24.598 5.637 1.00 0.00 WT1 O ATOM 14603 H1 TIP3 4460 48.583 24.622 5.780 1.00 0.00 WT1 H ATOM 14604 H2 TIP3 4460 47.281 24.227 6.444 1.00 0.00 WT1 H ATOM 14605 OH2 TIP3 4461 36.993 71.972 -0.069 1.00 0.00 WT1 O ATOM 14606 H1 TIP3 4461 37.242 71.331 0.598 1.00 0.00 WT1 H ATOM 14607 H2 TIP3 4461 36.625 72.703 0.427 1.00 0.00 WT1 H ATOM 14608 OH2 TIP3 4462 40.034 85.442 24.863 1.00 0.00 WT1 O ATOM 14609 H1 TIP3 4462 40.171 84.589 24.451 1.00 0.00 WT1 H ATOM 14610 H2 TIP3 4462 39.722 85.236 25.744 1.00 0.00 WT1 H ATOM 14611 OH2 TIP3 4463 30.560 2.992 -2.664 1.00 0.00 WT1 O ATOM 14612 H1 TIP3 4463 30.061 3.647 -3.152 1.00 0.00 WT1 H ATOM 14613 H2 TIP3 4463 31.450 3.063 -3.009 1.00 0.00 WT1 H ATOM 14614 OH2 TIP3 4464 40.259 30.020 38.233 1.00 0.00 WT1 O ATOM 14615 H1 TIP3 4464 39.912 30.897 38.072 1.00 0.00 WT1 H ATOM 14616 H2 TIP3 4464 40.591 29.733 37.382 1.00 0.00 WT1 H ATOM 14617 OH2 TIP3 4465 63.120 16.996 56.949 1.00 0.00 WT1 O ATOM 14618 H1 TIP3 4465 62.284 16.797 56.528 1.00 0.00 WT1 H ATOM 14619 H2 TIP3 4465 63.780 16.720 56.313 1.00 0.00 WT1 H ATOM 14620 OH2 TIP3 4466 23.702 27.508 15.765 1.00 0.00 WT1 O ATOM 14621 H1 TIP3 4466 23.215 28.182 16.238 1.00 0.00 WT1 H ATOM 14622 H2 TIP3 4466 23.092 26.773 15.696 1.00 0.00 WT1 H ATOM 14623 OH2 TIP3 4467 63.139 78.445 28.807 1.00 0.00 WT1 O ATOM 14624 H1 TIP3 4467 62.657 78.527 29.630 1.00 0.00 WT1 H ATOM 14625 H2 TIP3 4467 63.922 77.944 29.037 1.00 0.00 WT1 H ATOM 14626 OH2 TIP3 4468 51.588 11.687 -16.751 1.00 0.00 WT1 O ATOM 14627 H1 TIP3 4468 51.360 10.906 -17.256 1.00 0.00 WT1 H ATOM 14628 H2 TIP3 4468 50.898 12.317 -16.959 1.00 0.00 WT1 H ATOM 14629 OH2 TIP3 4469 45.725 40.889 -17.875 1.00 0.00 WT1 O ATOM 14630 H1 TIP3 4469 45.917 40.140 -17.310 1.00 0.00 WT1 H ATOM 14631 H2 TIP3 4469 45.401 41.563 -17.277 1.00 0.00 WT1 H ATOM 14632 OH2 TIP3 4470 42.800 25.089 -6.607 1.00 0.00 WT1 O ATOM 14633 H1 TIP3 4470 42.907 24.299 -6.078 1.00 0.00 WT1 H ATOM 14634 H2 TIP3 4470 42.203 25.639 -6.099 1.00 0.00 WT1 H ATOM 14635 OH2 TIP3 4472 47.704 95.463 36.118 1.00 0.00 WT1 O ATOM 14636 H1 TIP3 4472 47.097 94.854 35.696 1.00 0.00 WT1 H ATOM 14637 H2 TIP3 4472 48.435 95.537 35.505 1.00 0.00 WT1 H ATOM 14638 OH2 TIP3 4473 61.066 5.678 9.272 1.00 0.00 WT1 O ATOM 14639 H1 TIP3 4473 61.584 6.472 9.138 1.00 0.00 WT1 H ATOM 14640 H2 TIP3 4473 60.410 5.926 9.923 1.00 0.00 WT1 H ATOM 14641 OH2 TIP3 4474 74.603 94.238 10.946 1.00 0.00 WT1 O ATOM 14642 H1 TIP3 4474 74.771 95.085 10.534 1.00 0.00 WT1 H ATOM 14643 H2 TIP3 4474 75.473 93.869 11.100 1.00 0.00 WT1 H ATOM 14644 OH2 TIP3 4475 37.854 80.998 24.419 1.00 0.00 WT1 O ATOM 14645 H1 TIP3 4475 37.008 81.343 24.133 1.00 0.00 WT1 H ATOM 14646 H2 TIP3 4475 38.492 81.642 24.111 1.00 0.00 WT1 H ATOM 14647 OH2 TIP3 4476 43.395 80.198 38.515 1.00 0.00 WT1 O ATOM 14648 H1 TIP3 4476 44.296 80.002 38.256 1.00 0.00 WT1 H ATOM 14649 H2 TIP3 4476 43.009 80.614 37.744 1.00 0.00 WT1 H ATOM 14650 OH2 TIP3 4477 54.226 80.364 -11.703 1.00 0.00 WT1 O ATOM 14651 H1 TIP3 4477 54.211 79.465 -12.034 1.00 0.00 WT1 H ATOM 14652 H2 TIP3 4477 54.961 80.381 -11.090 1.00 0.00 WT1 H ATOM 14653 OH2 TIP3 4478 68.803 16.499 1.553 1.00 0.00 WT1 O ATOM 14654 H1 TIP3 4478 68.303 15.764 1.909 1.00 0.00 WT1 H ATOM 14655 H2 TIP3 4478 69.162 16.940 2.323 1.00 0.00 WT1 H ATOM 14656 OH2 TIP3 4479 51.393 22.741 58.851 1.00 0.00 WT1 O ATOM 14657 H1 TIP3 4479 50.834 22.930 59.605 1.00 0.00 WT1 H ATOM 14658 H2 TIP3 4479 51.958 23.510 58.773 1.00 0.00 WT1 H ATOM 14659 OH2 TIP3 4480 80.195 9.546 -8.709 1.00 0.00 WT1 O ATOM 14660 H1 TIP3 4480 79.557 9.860 -8.068 1.00 0.00 WT1 H ATOM 14661 H2 TIP3 4480 81.045 9.783 -8.337 1.00 0.00 WT1 H ATOM 14662 OH2 TIP3 4481 41.253 82.360 63.661 1.00 0.00 WT1 O ATOM 14663 H1 TIP3 4481 41.480 83.246 63.381 1.00 0.00 WT1 H ATOM 14664 H2 TIP3 4481 40.310 82.295 63.512 1.00 0.00 WT1 H ATOM 14665 OH2 TIP3 4482 78.698 91.133 28.615 1.00 0.00 WT1 O ATOM 14666 H1 TIP3 4482 78.765 91.592 27.778 1.00 0.00 WT1 H ATOM 14667 H2 TIP3 4482 78.256 91.754 29.194 1.00 0.00 WT1 H ATOM 14668 OH2 TIP3 4483 39.837 35.225 3.061 1.00 0.00 WT1 O ATOM 14669 H1 TIP3 4483 40.657 35.322 3.544 1.00 0.00 WT1 H ATOM 14670 H2 TIP3 4483 39.514 36.120 2.956 1.00 0.00 WT1 H ATOM 14671 OH2 TIP3 4485 67.806 40.594 61.689 1.00 0.00 WT1 O ATOM 14672 H1 TIP3 4485 66.918 40.923 61.828 1.00 0.00 WT1 H ATOM 14673 H2 TIP3 4485 68.197 41.213 61.072 1.00 0.00 WT1 H ATOM 14674 OH2 TIP3 4487 33.584 16.853 14.414 1.00 0.00 WT1 O ATOM 14675 H1 TIP3 4487 34.374 16.579 14.879 1.00 0.00 WT1 H ATOM 14676 H2 TIP3 4487 33.751 17.763 14.172 1.00 0.00 WT1 H ATOM 14677 OH2 TIP3 4489 22.900 93.134 46.219 1.00 0.00 WT1 O ATOM 14678 H1 TIP3 4489 23.246 92.805 45.389 1.00 0.00 WT1 H ATOM 14679 H2 TIP3 4489 23.048 92.420 46.840 1.00 0.00 WT1 H ATOM 14680 OH2 TIP3 4491 83.400 24.338 35.688 1.00 0.00 WT1 O ATOM 14681 H1 TIP3 4491 82.855 23.839 35.079 1.00 0.00 WT1 H ATOM 14682 H2 TIP3 4491 84.252 24.397 35.255 1.00 0.00 WT1 H ATOM 14683 OH2 TIP3 4492 56.881 24.434 38.983 1.00 0.00 WT1 O ATOM 14684 H1 TIP3 4492 57.713 24.827 38.720 1.00 0.00 WT1 H ATOM 14685 H2 TIP3 4492 57.114 23.824 39.682 1.00 0.00 WT1 H ATOM 14686 OH2 TIP3 4493 38.413 24.733 -9.763 1.00 0.00 WT1 O ATOM 14687 H1 TIP3 4493 37.829 24.520 -9.035 1.00 0.00 WT1 H ATOM 14688 H2 TIP3 4493 39.023 23.996 -9.805 1.00 0.00 WT1 H ATOM 14689 OH2 TIP3 4495 83.014 29.725 59.805 1.00 0.00 WT1 O ATOM 14690 H1 TIP3 4495 83.922 29.632 59.515 1.00 0.00 WT1 H ATOM 14691 H2 TIP3 4495 83.042 30.421 60.462 1.00 0.00 WT1 H ATOM 14692 OH2 TIP3 4496 36.629 93.698 31.854 1.00 0.00 WT1 O ATOM 14693 H1 TIP3 4496 37.503 93.362 32.050 1.00 0.00 WT1 H ATOM 14694 H2 TIP3 4496 36.757 94.275 31.101 1.00 0.00 WT1 H ATOM 14695 OH2 TIP3 4497 54.736 31.952 -2.825 1.00 0.00 WT1 O ATOM 14696 H1 TIP3 4497 55.306 32.693 -2.618 1.00 0.00 WT1 H ATOM 14697 H2 TIP3 4497 54.498 31.587 -1.973 1.00 0.00 WT1 H ATOM 14698 OH2 TIP3 4499 33.150 33.765 28.185 1.00 0.00 WT1 O ATOM 14699 H1 TIP3 4499 33.085 33.784 27.230 1.00 0.00 WT1 H ATOM 14700 H2 TIP3 4499 32.286 34.042 28.490 1.00 0.00 WT1 H ATOM 14701 OH2 TIP3 4500 34.875 86.162 41.013 1.00 0.00 WT1 O ATOM 14702 H1 TIP3 4500 35.340 86.931 41.343 1.00 0.00 WT1 H ATOM 14703 H2 TIP3 4500 35.258 86.002 40.150 1.00 0.00 WT1 H ATOM 14704 OH2 TIP3 4501 29.256 31.897 46.249 1.00 0.00 WT1 O ATOM 14705 H1 TIP3 4501 29.103 32.813 46.480 1.00 0.00 WT1 H ATOM 14706 H2 TIP3 4501 29.590 31.499 47.054 1.00 0.00 WT1 H ATOM 14707 OH2 TIP3 4502 37.438 52.157 -12.911 1.00 0.00 WT1 O ATOM 14708 H1 TIP3 4502 38.208 52.230 -13.475 1.00 0.00 WT1 H ATOM 14709 H2 TIP3 4502 37.733 52.479 -12.060 1.00 0.00 WT1 H ATOM 14710 OH2 TIP3 4504 76.896 87.788 51.592 1.00 0.00 WT1 O ATOM 14711 H1 TIP3 4504 77.704 87.361 51.306 1.00 0.00 WT1 H ATOM 14712 H2 TIP3 4504 76.294 87.066 51.770 1.00 0.00 WT1 H ATOM 14713 OH2 TIP3 4505 74.691 58.471 17.715 1.00 0.00 WT1 O ATOM 14714 H1 TIP3 4505 75.092 58.771 18.531 1.00 0.00 WT1 H ATOM 14715 H2 TIP3 4505 74.152 57.723 17.972 1.00 0.00 WT1 H ATOM 14716 OH2 TIP3 4506 46.733 10.668 27.774 1.00 0.00 WT1 O ATOM 14717 H1 TIP3 4506 47.375 10.234 28.336 1.00 0.00 WT1 H ATOM 14718 H2 TIP3 4506 47.256 11.092 27.094 1.00 0.00 WT1 H ATOM 14719 OH2 TIP3 4507 36.019 74.732 -3.773 1.00 0.00 WT1 O ATOM 14720 H1 TIP3 4507 35.678 75.570 -4.088 1.00 0.00 WT1 H ATOM 14721 H2 TIP3 4507 36.958 74.880 -3.667 1.00 0.00 WT1 H ATOM 14722 OH2 TIP3 4508 52.005 53.239 -17.689 1.00 0.00 WT1 O ATOM 14723 H1 TIP3 4508 52.505 53.371 -16.883 1.00 0.00 WT1 H ATOM 14724 H2 TIP3 4508 52.571 52.694 -18.235 1.00 0.00 WT1 H ATOM 14725 OH2 TIP3 4509 29.255 7.171 3.904 1.00 0.00 WT1 O ATOM 14726 H1 TIP3 4509 29.122 7.538 4.778 1.00 0.00 WT1 H ATOM 14727 H2 TIP3 4509 29.028 6.246 3.996 1.00 0.00 WT1 H ATOM 14728 OH2 TIP3 4510 50.187 39.569 37.336 1.00 0.00 WT1 O ATOM 14729 H1 TIP3 4510 50.918 40.000 37.779 1.00 0.00 WT1 H ATOM 14730 H2 TIP3 4510 49.895 40.204 36.683 1.00 0.00 WT1 H ATOM 14731 OH2 TIP3 4511 56.453 6.981 43.822 1.00 0.00 WT1 O ATOM 14732 H1 TIP3 4511 56.005 7.198 44.639 1.00 0.00 WT1 H ATOM 14733 H2 TIP3 4511 56.619 7.827 43.407 1.00 0.00 WT1 H ATOM 14734 OH2 TIP3 4513 72.129 22.736 -10.254 1.00 0.00 WT1 O ATOM 14735 H1 TIP3 4513 72.588 21.988 -9.870 1.00 0.00 WT1 H ATOM 14736 H2 TIP3 4513 72.422 22.754 -11.165 1.00 0.00 WT1 H ATOM 14737 OH2 TIP3 4514 42.342 85.746 36.996 1.00 0.00 WT1 O ATOM 14738 H1 TIP3 4514 42.043 86.549 37.425 1.00 0.00 WT1 H ATOM 14739 H2 TIP3 4514 43.221 85.956 36.681 1.00 0.00 WT1 H ATOM 14740 OH2 TIP3 4515 58.919 4.294 18.535 1.00 0.00 WT1 O ATOM 14741 H1 TIP3 4515 59.801 4.281 18.164 1.00 0.00 WT1 H ATOM 14742 H2 TIP3 4515 58.842 5.159 18.939 1.00 0.00 WT1 H ATOM 14743 OH2 TIP3 4516 69.156 69.939 16.828 1.00 0.00 WT1 O ATOM 14744 H1 TIP3 4516 68.201 69.998 16.853 1.00 0.00 WT1 H ATOM 14745 H2 TIP3 4516 69.426 70.653 16.251 1.00 0.00 WT1 H ATOM 14746 OH2 TIP3 4517 54.408 86.859 66.581 1.00 0.00 WT1 O ATOM 14747 H1 TIP3 4517 54.855 87.505 66.034 1.00 0.00 WT1 H ATOM 14748 H2 TIP3 4517 53.648 87.324 66.929 1.00 0.00 WT1 H ATOM 14749 OH2 TIP3 4518 34.400 23.241 -2.027 1.00 0.00 WT1 O ATOM 14750 H1 TIP3 4518 34.113 24.149 -2.125 1.00 0.00 WT1 H ATOM 14751 H2 TIP3 4518 35.040 23.266 -1.316 1.00 0.00 WT1 H ATOM 14752 OH2 TIP3 4519 80.069 29.945 9.768 1.00 0.00 WT1 O ATOM 14753 H1 TIP3 4519 80.137 29.100 10.213 1.00 0.00 WT1 H ATOM 14754 H2 TIP3 4519 79.128 30.093 9.677 1.00 0.00 WT1 H ATOM 14755 OH2 TIP3 4520 28.780 89.104 -12.078 1.00 0.00 WT1 O ATOM 14756 H1 TIP3 4520 28.749 90.055 -12.190 1.00 0.00 WT1 H ATOM 14757 H2 TIP3 4520 29.686 88.921 -11.830 1.00 0.00 WT1 H ATOM 14758 OH2 TIP3 4521 30.378 36.032 -0.537 1.00 0.00 WT1 O ATOM 14759 H1 TIP3 4521 30.130 36.951 -0.437 1.00 0.00 WT1 H ATOM 14760 H2 TIP3 4521 31.040 35.887 0.139 1.00 0.00 WT1 H ATOM 14761 OH2 TIP3 4522 65.252 49.601 11.302 1.00 0.00 WT1 O ATOM 14762 H1 TIP3 4522 64.335 49.668 11.035 1.00 0.00 WT1 H ATOM 14763 H2 TIP3 4522 65.232 49.695 12.254 1.00 0.00 WT1 H ATOM 14764 OH2 TIP3 4523 29.809 76.301 6.874 1.00 0.00 WT1 O ATOM 14765 H1 TIP3 4523 30.310 75.526 6.619 1.00 0.00 WT1 H ATOM 14766 H2 TIP3 4523 30.465 76.907 7.221 1.00 0.00 WT1 H ATOM 14767 OH2 TIP3 4524 83.700 31.916 44.454 1.00 0.00 WT1 O ATOM 14768 H1 TIP3 4524 83.240 31.731 45.273 1.00 0.00 WT1 H ATOM 14769 H2 TIP3 4524 84.619 31.999 44.709 1.00 0.00 WT1 H ATOM 14770 OH2 TIP3 4525 84.366 39.525 29.681 1.00 0.00 WT1 O ATOM 14771 H1 TIP3 4525 83.504 39.816 29.977 1.00 0.00 WT1 H ATOM 14772 H2 TIP3 4525 84.781 40.317 29.337 1.00 0.00 WT1 H ATOM 14773 OH2 TIP3 4526 89.842 28.333 47.749 1.00 0.00 WT1 O ATOM 14774 H1 TIP3 4526 90.404 29.087 47.569 1.00 0.00 WT1 H ATOM 14775 H2 TIP3 4526 90.382 27.574 47.529 1.00 0.00 WT1 H ATOM 14776 OH2 TIP3 4527 78.270 77.669 63.185 1.00 0.00 WT1 O ATOM 14777 H1 TIP3 4527 78.491 77.585 62.258 1.00 0.00 WT1 H ATOM 14778 H2 TIP3 4527 78.844 78.364 63.506 1.00 0.00 WT1 H ATOM 14779 OH2 TIP3 4528 63.832 16.443 41.896 1.00 0.00 WT1 O ATOM 14780 H1 TIP3 4528 64.263 16.128 41.101 1.00 0.00 WT1 H ATOM 14781 H2 TIP3 4528 64.503 16.957 42.346 1.00 0.00 WT1 H ATOM 14782 OH2 TIP3 4529 63.616 1.963 -10.118 1.00 0.00 WT1 O ATOM 14783 H1 TIP3 4529 63.537 1.205 -9.539 1.00 0.00 WT1 H ATOM 14784 H2 TIP3 4529 62.886 2.530 -9.872 1.00 0.00 WT1 H ATOM 14785 OH2 TIP3 4530 51.316 3.731 -2.585 1.00 0.00 WT1 O ATOM 14786 H1 TIP3 4530 50.843 3.519 -1.780 1.00 0.00 WT1 H ATOM 14787 H2 TIP3 4530 51.073 3.035 -3.196 1.00 0.00 WT1 H ATOM 14788 OH2 TIP3 4531 81.488 39.802 61.339 1.00 0.00 WT1 O ATOM 14789 H1 TIP3 4531 81.483 40.596 60.805 1.00 0.00 WT1 H ATOM 14790 H2 TIP3 4531 80.769 39.926 61.959 1.00 0.00 WT1 H ATOM 14791 OH2 TIP3 4532 55.738 77.780 33.420 1.00 0.00 WT1 O ATOM 14792 H1 TIP3 4532 56.640 77.484 33.298 1.00 0.00 WT1 H ATOM 14793 H2 TIP3 4532 55.207 76.994 33.290 1.00 0.00 WT1 H ATOM 14794 OH2 TIP3 4533 55.179 7.656 27.490 1.00 0.00 WT1 O ATOM 14795 H1 TIP3 4533 54.662 8.285 27.993 1.00 0.00 WT1 H ATOM 14796 H2 TIP3 4533 54.529 7.076 27.091 1.00 0.00 WT1 H ATOM 14797 OH2 TIP3 4534 41.109 15.143 18.427 1.00 0.00 WT1 O ATOM 14798 H1 TIP3 4534 41.921 15.421 18.005 1.00 0.00 WT1 H ATOM 14799 H2 TIP3 4534 40.494 15.857 18.258 1.00 0.00 WT1 H ATOM 14800 OH2 TIP3 4535 68.383 35.861 5.083 1.00 0.00 WT1 O ATOM 14801 H1 TIP3 4535 67.429 35.791 5.079 1.00 0.00 WT1 H ATOM 14802 H2 TIP3 4535 68.555 36.798 5.178 1.00 0.00 WT1 H ATOM 14803 OH2 TIP3 4536 50.540 1.647 2.617 1.00 0.00 WT1 O ATOM 14804 H1 TIP3 4536 50.498 2.229 3.376 1.00 0.00 WT1 H ATOM 14805 H2 TIP3 4536 51.439 1.316 2.619 1.00 0.00 WT1 H ATOM 14806 OH2 TIP3 4537 39.568 83.972 6.507 1.00 0.00 WT1 O ATOM 14807 H1 TIP3 4537 38.837 84.416 6.937 1.00 0.00 WT1 H ATOM 14808 H2 TIP3 4537 39.844 83.303 7.133 1.00 0.00 WT1 H ATOM 14809 OH2 TIP3 4538 67.849 32.955 19.655 1.00 0.00 WT1 O ATOM 14810 H1 TIP3 4538 68.033 33.764 20.132 1.00 0.00 WT1 H ATOM 14811 H2 TIP3 4538 67.022 33.125 19.203 1.00 0.00 WT1 H ATOM 14812 OH2 TIP3 4539 61.518 7.220 5.514 1.00 0.00 WT1 O ATOM 14813 H1 TIP3 4539 61.349 8.130 5.758 1.00 0.00 WT1 H ATOM 14814 H2 TIP3 4539 62.351 7.009 5.936 1.00 0.00 WT1 H ATOM 14815 OH2 TIP3 4540 39.324 54.403 56.730 1.00 0.00 WT1 O ATOM 14816 H1 TIP3 4540 38.636 55.011 56.462 1.00 0.00 WT1 H ATOM 14817 H2 TIP3 4540 39.510 53.889 55.944 1.00 0.00 WT1 H ATOM 14818 OH2 TIP3 4541 84.434 91.890 23.901 1.00 0.00 WT1 O ATOM 14819 H1 TIP3 4541 84.080 91.055 24.206 1.00 0.00 WT1 H ATOM 14820 H2 TIP3 4541 83.663 92.407 23.666 1.00 0.00 WT1 H ATOM 14821 OH2 TIP3 4542 37.835 86.118 7.477 1.00 0.00 WT1 O ATOM 14822 H1 TIP3 4542 38.656 86.546 7.231 1.00 0.00 WT1 H ATOM 14823 H2 TIP3 4542 37.154 86.737 7.212 1.00 0.00 WT1 H ATOM 14824 OH2 TIP3 4544 38.394 21.010 51.107 1.00 0.00 WT1 O ATOM 14825 H1 TIP3 4544 38.518 20.076 51.279 1.00 0.00 WT1 H ATOM 14826 H2 TIP3 4544 37.456 21.100 50.937 1.00 0.00 WT1 H ATOM 14827 OH2 TIP3 4545 74.009 30.224 -6.552 1.00 0.00 WT1 O ATOM 14828 H1 TIP3 4545 74.158 29.820 -5.697 1.00 0.00 WT1 H ATOM 14829 H2 TIP3 4545 73.116 29.972 -6.784 1.00 0.00 WT1 H ATOM 14830 OH2 TIP3 4546 79.811 28.824 1.317 1.00 0.00 WT1 O ATOM 14831 H1 TIP3 4546 78.921 28.757 0.971 1.00 0.00 WT1 H ATOM 14832 H2 TIP3 4546 79.693 29.045 2.241 1.00 0.00 WT1 H ATOM 14833 OH2 TIP3 4547 39.229 60.199 51.553 1.00 0.00 WT1 O ATOM 14834 H1 TIP3 4547 39.992 60.598 51.137 1.00 0.00 WT1 H ATOM 14835 H2 TIP3 4547 39.592 59.514 52.115 1.00 0.00 WT1 H ATOM 14836 OH2 TIP3 4548 57.676 90.383 23.103 1.00 0.00 WT1 O ATOM 14837 H1 TIP3 4548 58.155 89.555 23.139 1.00 0.00 WT1 H ATOM 14838 H2 TIP3 4548 57.525 90.532 22.169 1.00 0.00 WT1 H ATOM 14839 OH2 TIP3 4549 31.877 18.384 63.819 1.00 0.00 WT1 O ATOM 14840 H1 TIP3 4549 32.181 18.658 62.954 1.00 0.00 WT1 H ATOM 14841 H2 TIP3 4549 32.559 18.685 64.420 1.00 0.00 WT1 H ATOM 14842 OH2 TIP3 4550 34.324 7.847 42.563 1.00 0.00 WT1 O ATOM 14843 H1 TIP3 4550 34.349 8.546 43.217 1.00 0.00 WT1 H ATOM 14844 H2 TIP3 4550 33.844 8.226 41.826 1.00 0.00 WT1 H ATOM 14845 OH2 TIP3 4552 59.361 12.067 29.402 1.00 0.00 WT1 O ATOM 14846 H1 TIP3 4552 59.659 12.959 29.582 1.00 0.00 WT1 H ATOM 14847 H2 TIP3 4552 58.406 12.126 29.412 1.00 0.00 WT1 H ATOM 14848 OH2 TIP3 4553 85.796 28.129 -14.231 1.00 0.00 WT1 O ATOM 14849 H1 TIP3 4553 85.460 28.688 -14.931 1.00 0.00 WT1 H ATOM 14850 H2 TIP3 4553 86.734 28.319 -14.202 1.00 0.00 WT1 H ATOM 14851 OH2 TIP3 4554 62.784 10.893 14.537 1.00 0.00 WT1 O ATOM 14852 H1 TIP3 4554 63.635 10.865 14.975 1.00 0.00 WT1 H ATOM 14853 H2 TIP3 4554 62.217 10.346 15.080 1.00 0.00 WT1 H ATOM 14854 OH2 TIP3 4555 25.690 5.874 9.793 1.00 0.00 WT1 O ATOM 14855 H1 TIP3 4555 26.276 6.071 10.524 1.00 0.00 WT1 H ATOM 14856 H2 TIP3 4555 25.526 4.934 9.864 1.00 0.00 WT1 H ATOM 14857 OH2 TIP3 4556 40.732 32.145 -19.255 1.00 0.00 WT1 O ATOM 14858 H1 TIP3 4556 41.284 32.536 -19.932 1.00 0.00 WT1 H ATOM 14859 H2 TIP3 4556 40.847 32.714 -18.494 1.00 0.00 WT1 H ATOM 14860 OH2 TIP3 4557 82.826 23.813 11.418 1.00 0.00 WT1 O ATOM 14861 H1 TIP3 4557 83.219 24.134 12.230 1.00 0.00 WT1 H ATOM 14862 H2 TIP3 4557 82.075 24.389 11.271 1.00 0.00 WT1 H ATOM 14863 OH2 TIP3 4558 64.812 30.452 -1.814 1.00 0.00 WT1 O ATOM 14864 H1 TIP3 4558 64.072 30.384 -1.211 1.00 0.00 WT1 H ATOM 14865 H2 TIP3 4558 64.530 31.089 -2.470 1.00 0.00 WT1 H ATOM 14866 OH2 TIP3 4559 75.642 91.356 24.231 1.00 0.00 WT1 O ATOM 14867 H1 TIP3 4559 74.817 91.715 23.906 1.00 0.00 WT1 H ATOM 14868 H2 TIP3 4559 75.706 91.678 25.130 1.00 0.00 WT1 H ATOM 14869 OH2 TIP3 4560 57.502 17.434 9.358 1.00 0.00 WT1 O ATOM 14870 H1 TIP3 4560 57.251 18.308 9.061 1.00 0.00 WT1 H ATOM 14871 H2 TIP3 4560 57.746 16.969 8.558 1.00 0.00 WT1 H ATOM 14872 OH2 TIP3 4561 25.119 31.374 -18.159 1.00 0.00 WT1 O ATOM 14873 H1 TIP3 4561 26.025 31.195 -17.907 1.00 0.00 WT1 H ATOM 14874 H2 TIP3 4561 24.600 30.759 -17.640 1.00 0.00 WT1 H ATOM 14875 OH2 TIP3 4562 22.317 95.019 42.033 1.00 0.00 WT1 O ATOM 14876 H1 TIP3 4562 22.394 94.621 41.166 1.00 0.00 WT1 H ATOM 14877 H2 TIP3 4562 22.995 95.694 42.049 1.00 0.00 WT1 H ATOM 14878 OH2 TIP3 4563 69.681 45.819 55.750 1.00 0.00 WT1 O ATOM 14879 H1 TIP3 4563 69.403 46.165 56.598 1.00 0.00 WT1 H ATOM 14880 H2 TIP3 4563 68.995 46.095 55.141 1.00 0.00 WT1 H ATOM 14881 OH2 TIP3 4564 28.410 66.229 -8.993 1.00 0.00 WT1 O ATOM 14882 H1 TIP3 4564 27.937 66.274 -8.162 1.00 0.00 WT1 H ATOM 14883 H2 TIP3 4564 28.708 65.321 -9.051 1.00 0.00 WT1 H ATOM 14884 OH2 TIP3 4565 36.413 44.973 -1.161 1.00 0.00 WT1 O ATOM 14885 H1 TIP3 4565 37.360 44.947 -1.294 1.00 0.00 WT1 H ATOM 14886 H2 TIP3 4565 36.268 45.748 -0.618 1.00 0.00 WT1 H ATOM 14887 OH2 TIP3 4569 89.537 5.802 -0.602 1.00 0.00 WT1 O ATOM 14888 H1 TIP3 4569 90.151 5.335 -1.169 1.00 0.00 WT1 H ATOM 14889 H2 TIP3 4569 88.688 5.701 -1.033 1.00 0.00 WT1 H ATOM 14890 OH2 TIP3 4570 80.863 55.406 62.560 1.00 0.00 WT1 O ATOM 14891 H1 TIP3 4570 81.008 56.311 62.837 1.00 0.00 WT1 H ATOM 14892 H2 TIP3 4570 79.917 55.343 62.430 1.00 0.00 WT1 H ATOM 14893 OH2 TIP3 4571 84.629 3.259 10.266 1.00 0.00 WT1 O ATOM 14894 H1 TIP3 4571 84.639 2.325 10.473 1.00 0.00 WT1 H ATOM 14895 H2 TIP3 4571 85.373 3.620 10.747 1.00 0.00 WT1 H ATOM 14896 OH2 TIP3 4573 56.617 36.714 10.354 1.00 0.00 WT1 O ATOM 14897 H1 TIP3 4573 56.175 37.470 9.968 1.00 0.00 WT1 H ATOM 14898 H2 TIP3 4573 56.493 36.819 11.297 1.00 0.00 WT1 H ATOM 14899 OH2 TIP3 4574 35.169 18.937 -14.798 1.00 0.00 WT1 O ATOM 14900 H1 TIP3 4574 35.016 19.468 -14.017 1.00 0.00 WT1 H ATOM 14901 H2 TIP3 4574 34.320 18.536 -14.986 1.00 0.00 WT1 H ATOM 14902 OH2 TIP3 4575 22.633 55.154 20.169 1.00 0.00 WT1 O ATOM 14903 H1 TIP3 4575 22.326 54.300 19.864 1.00 0.00 WT1 H ATOM 14904 H2 TIP3 4575 23.527 54.994 20.471 1.00 0.00 WT1 H ATOM 14905 OH2 TIP3 4576 42.475 10.118 38.898 1.00 0.00 WT1 O ATOM 14906 H1 TIP3 4576 42.744 9.451 39.529 1.00 0.00 WT1 H ATOM 14907 H2 TIP3 4576 43.281 10.348 38.434 1.00 0.00 WT1 H ATOM 14908 OH2 TIP3 4577 87.482 86.740 13.888 1.00 0.00 WT1 O ATOM 14909 H1 TIP3 4577 88.217 87.352 13.933 1.00 0.00 WT1 H ATOM 14910 H2 TIP3 4577 86.843 87.087 14.510 1.00 0.00 WT1 H ATOM 14911 OH2 TIP3 4578 48.909 34.245 65.187 1.00 0.00 WT1 O ATOM 14912 H1 TIP3 4578 49.590 33.581 65.289 1.00 0.00 WT1 H ATOM 14913 H2 TIP3 4578 49.354 35.074 65.358 1.00 0.00 WT1 H ATOM 14914 OH2 TIP3 4579 48.259 22.279 0.813 1.00 0.00 WT1 O ATOM 14915 H1 TIP3 4579 48.982 22.345 1.436 1.00 0.00 WT1 H ATOM 14916 H2 TIP3 4579 47.489 22.106 1.355 1.00 0.00 WT1 H ATOM 14917 OH2 TIP3 4580 46.972 7.355 49.745 1.00 0.00 WT1 O ATOM 14918 H1 TIP3 4580 47.222 7.961 49.047 1.00 0.00 WT1 H ATOM 14919 H2 TIP3 4580 46.020 7.438 49.806 1.00 0.00 WT1 H ATOM 14920 OH2 TIP3 4581 52.761 35.689 38.648 1.00 0.00 WT1 O ATOM 14921 H1 TIP3 4581 53.569 36.111 38.941 1.00 0.00 WT1 H ATOM 14922 H2 TIP3 4581 52.632 36.012 37.756 1.00 0.00 WT1 H ATOM 14923 OH2 TIP3 4582 56.759 45.715 40.584 1.00 0.00 WT1 O ATOM 14924 H1 TIP3 4582 57.116 46.181 41.341 1.00 0.00 WT1 H ATOM 14925 H2 TIP3 4582 56.300 46.389 40.083 1.00 0.00 WT1 H ATOM 14926 OH2 TIP3 4583 89.430 55.931 16.089 1.00 0.00 WT1 O ATOM 14927 H1 TIP3 4583 89.064 55.094 16.372 1.00 0.00 WT1 H ATOM 14928 H2 TIP3 4583 90.315 55.942 16.453 1.00 0.00 WT1 H ATOM 14929 OH2 TIP3 4584 51.926 1.506 -13.042 1.00 0.00 WT1 O ATOM 14930 H1 TIP3 4584 52.426 1.787 -12.275 1.00 0.00 WT1 H ATOM 14931 H2 TIP3 4584 51.035 1.809 -12.871 1.00 0.00 WT1 H ATOM 14932 OH2 TIP3 4586 73.461 7.489 57.545 1.00 0.00 WT1 O ATOM 14933 H1 TIP3 4586 73.721 8.409 57.501 1.00 0.00 WT1 H ATOM 14934 H2 TIP3 4586 72.597 7.503 57.958 1.00 0.00 WT1 H ATOM 14935 OH2 TIP3 4588 47.006 58.997 55.217 1.00 0.00 WT1 O ATOM 14936 H1 TIP3 4588 46.620 59.414 55.987 1.00 0.00 WT1 H ATOM 14937 H2 TIP3 4588 47.367 59.722 54.708 1.00 0.00 WT1 H ATOM 14938 OH2 TIP3 4589 41.062 52.660 54.639 1.00 0.00 WT1 O ATOM 14939 H1 TIP3 4589 41.627 52.354 55.349 1.00 0.00 WT1 H ATOM 14940 H2 TIP3 4589 41.533 53.402 54.261 1.00 0.00 WT1 H ATOM 14941 OH2 TIP3 4591 74.608 58.959 34.361 1.00 0.00 WT1 O ATOM 14942 H1 TIP3 4591 74.234 58.258 33.826 1.00 0.00 WT1 H ATOM 14943 H2 TIP3 4591 75.053 59.528 33.733 1.00 0.00 WT1 H ATOM 14944 OH2 TIP3 4594 43.351 15.529 9.195 1.00 0.00 WT1 O ATOM 14945 H1 TIP3 4594 42.866 16.321 9.425 1.00 0.00 WT1 H ATOM 14946 H2 TIP3 4594 43.464 15.585 8.246 1.00 0.00 WT1 H ATOM 14947 OH2 TIP3 4596 77.095 94.638 26.405 1.00 0.00 WT1 O ATOM 14948 H1 TIP3 4596 76.243 95.070 26.344 1.00 0.00 WT1 H ATOM 14949 H2 TIP3 4596 76.901 93.777 26.776 1.00 0.00 WT1 H ATOM 14950 OH2 TIP3 4597 82.025 59.917 54.210 1.00 0.00 WT1 O ATOM 14951 H1 TIP3 4597 81.097 60.133 54.298 1.00 0.00 WT1 H ATOM 14952 H2 TIP3 4597 82.360 59.925 55.107 1.00 0.00 WT1 H ATOM 14953 OH2 TIP3 4598 42.781 49.266 37.366 1.00 0.00 WT1 O ATOM 14954 H1 TIP3 4598 41.859 49.030 37.469 1.00 0.00 WT1 H ATOM 14955 H2 TIP3 4598 42.820 49.716 36.522 1.00 0.00 WT1 H ATOM 14956 OH2 TIP3 4599 39.166 0.310 4.880 1.00 0.00 WT1 O ATOM 14957 H1 TIP3 4599 39.341 0.630 5.765 1.00 0.00 WT1 H ATOM 14958 H2 TIP3 4599 38.454 -0.320 4.988 1.00 0.00 WT1 H ATOM 14959 OH2 TIP3 4600 68.097 52.763 18.325 1.00 0.00 WT1 O ATOM 14960 H1 TIP3 4600 67.657 51.917 18.243 1.00 0.00 WT1 H ATOM 14961 H2 TIP3 4600 67.391 53.407 18.269 1.00 0.00 WT1 H ATOM 14962 OH2 TIP3 4601 26.793 72.142 21.684 1.00 0.00 WT1 O ATOM 14963 H1 TIP3 4601 26.065 71.662 22.079 1.00 0.00 WT1 H ATOM 14964 H2 TIP3 4601 26.950 71.696 20.852 1.00 0.00 WT1 H ATOM 14965 OH2 TIP3 4602 71.530 45.988 -8.351 1.00 0.00 WT1 O ATOM 14966 H1 TIP3 4602 71.431 45.480 -7.546 1.00 0.00 WT1 H ATOM 14967 H2 TIP3 4602 70.953 45.554 -8.980 1.00 0.00 WT1 H ATOM 14968 OH2 TIP3 4603 77.849 58.936 -15.580 1.00 0.00 WT1 O ATOM 14969 H1 TIP3 4603 78.261 59.601 -15.028 1.00 0.00 WT1 H ATOM 14970 H2 TIP3 4603 77.617 58.232 -14.976 1.00 0.00 WT1 H ATOM 14971 OH2 TIP3 4605 56.682 14.334 -16.327 1.00 0.00 WT1 O ATOM 14972 H1 TIP3 4605 55.875 13.820 -16.341 1.00 0.00 WT1 H ATOM 14973 H2 TIP3 4605 56.991 14.272 -15.423 1.00 0.00 WT1 H ATOM 14974 OH2 TIP3 4606 88.842 18.782 44.721 1.00 0.00 WT1 O ATOM 14975 H1 TIP3 4606 87.921 18.742 44.461 1.00 0.00 WT1 H ATOM 14976 H2 TIP3 4606 89.080 17.873 44.902 1.00 0.00 WT1 H ATOM 14977 OH2 TIP3 4607 61.001 3.284 30.340 1.00 0.00 WT1 O ATOM 14978 H1 TIP3 4607 61.613 2.626 30.669 1.00 0.00 WT1 H ATOM 14979 H2 TIP3 4607 61.402 3.602 29.531 1.00 0.00 WT1 H ATOM 14980 OH2 TIP3 4609 28.712 44.186 23.501 1.00 0.00 WT1 O ATOM 14981 H1 TIP3 4609 29.350 44.425 22.828 1.00 0.00 WT1 H ATOM 14982 H2 TIP3 4609 28.132 44.946 23.561 1.00 0.00 WT1 H ATOM 14983 OH2 TIP3 4610 42.539 66.278 -10.471 1.00 0.00 WT1 O ATOM 14984 H1 TIP3 4610 42.098 66.228 -9.623 1.00 0.00 WT1 H ATOM 14985 H2 TIP3 4610 42.581 67.215 -10.665 1.00 0.00 WT1 H ATOM 14986 OH2 TIP3 4612 64.886 82.796 16.445 1.00 0.00 WT1 O ATOM 14987 H1 TIP3 4612 64.686 83.662 16.800 1.00 0.00 WT1 H ATOM 14988 H2 TIP3 4612 65.732 82.903 16.012 1.00 0.00 WT1 H ATOM 14989 OH2 TIP3 4616 81.254 66.473 26.814 1.00 0.00 WT1 O ATOM 14990 H1 TIP3 4616 82.061 66.839 26.452 1.00 0.00 WT1 H ATOM 14991 H2 TIP3 4616 81.545 65.932 27.549 1.00 0.00 WT1 H ATOM 14992 OH2 TIP3 4619 28.191 14.578 10.612 1.00 0.00 WT1 O ATOM 14993 H1 TIP3 4619 28.218 15.073 9.793 1.00 0.00 WT1 H ATOM 14994 H2 TIP3 4619 27.352 14.816 11.008 1.00 0.00 WT1 H ATOM 14995 OH2 TIP3 4620 33.969 74.776 45.692 1.00 0.00 WT1 O ATOM 14996 H1 TIP3 4620 33.571 75.256 44.966 1.00 0.00 WT1 H ATOM 14997 H2 TIP3 4620 33.923 75.380 46.433 1.00 0.00 WT1 H ATOM 14998 OH2 TIP3 4621 73.263 45.910 3.561 1.00 0.00 WT1 O ATOM 14999 H1 TIP3 4621 72.790 45.674 4.359 1.00 0.00 WT1 H ATOM 15000 H2 TIP3 4621 74.032 46.389 3.871 1.00 0.00 WT1 H ATOM 15001 OH2 TIP3 4622 24.782 39.698 11.690 1.00 0.00 WT1 O ATOM 15002 H1 TIP3 4622 25.218 39.705 12.541 1.00 0.00 WT1 H ATOM 15003 H2 TIP3 4622 23.904 39.364 11.873 1.00 0.00 WT1 H ATOM 15004 OH2 TIP3 4623 61.489 94.311 -15.663 1.00 0.00 WT1 O ATOM 15005 H1 TIP3 4623 60.624 93.925 -15.797 1.00 0.00 WT1 H ATOM 15006 H2 TIP3 4623 62.097 93.578 -15.762 1.00 0.00 WT1 H ATOM 15007 OH2 TIP3 4624 70.337 19.799 8.260 1.00 0.00 WT1 O ATOM 15008 H1 TIP3 4624 70.203 20.737 8.396 1.00 0.00 WT1 H ATOM 15009 H2 TIP3 4624 69.586 19.386 8.687 1.00 0.00 WT1 H ATOM 15010 OH2 TIP3 4625 41.831 50.974 -0.923 1.00 0.00 WT1 O ATOM 15011 H1 TIP3 4625 40.940 51.121 -0.607 1.00 0.00 WT1 H ATOM 15012 H2 TIP3 4625 42.327 50.733 -0.141 1.00 0.00 WT1 H ATOM 15013 OH2 TIP3 4626 51.822 26.785 35.535 1.00 0.00 WT1 O ATOM 15014 H1 TIP3 4626 52.222 26.726 34.667 1.00 0.00 WT1 H ATOM 15015 H2 TIP3 4626 50.927 27.080 35.368 1.00 0.00 WT1 H ATOM 15016 OH2 TIP3 4627 57.031 54.981 63.926 1.00 0.00 WT1 O ATOM 15017 H1 TIP3 4627 57.178 55.675 64.568 1.00 0.00 WT1 H ATOM 15018 H2 TIP3 4627 57.865 54.903 63.461 1.00 0.00 WT1 H ATOM 15019 OH2 TIP3 4628 43.559 8.761 29.618 1.00 0.00 WT1 O ATOM 15020 H1 TIP3 4628 44.044 9.584 29.565 1.00 0.00 WT1 H ATOM 15021 H2 TIP3 4628 44.167 8.102 29.284 1.00 0.00 WT1 H ATOM 15022 OH2 TIP3 4629 51.659 48.418 0.398 1.00 0.00 WT1 O ATOM 15023 H1 TIP3 4629 52.163 47.822 0.952 1.00 0.00 WT1 H ATOM 15024 H2 TIP3 4629 52.221 49.186 0.297 1.00 0.00 WT1 H ATOM 15025 OH2 TIP3 4631 31.099 28.271 44.584 1.00 0.00 WT1 O ATOM 15026 H1 TIP3 4631 31.688 28.952 44.909 1.00 0.00 WT1 H ATOM 15027 H2 TIP3 4631 31.658 27.706 44.050 1.00 0.00 WT1 H ATOM 15028 OH2 TIP3 4632 51.131 95.335 20.207 1.00 0.00 WT1 O ATOM 15029 H1 TIP3 4632 50.601 94.673 20.650 1.00 0.00 WT1 H ATOM 15030 H2 TIP3 4632 50.497 95.871 19.731 1.00 0.00 WT1 H ATOM 15031 OH2 TIP3 4633 37.236 10.726 6.972 1.00 0.00 WT1 O ATOM 15032 H1 TIP3 4633 37.547 10.788 7.875 1.00 0.00 WT1 H ATOM 15033 H2 TIP3 4633 36.767 9.892 6.937 1.00 0.00 WT1 H ATOM 15034 OH2 TIP3 4637 24.214 51.702 -8.652 1.00 0.00 WT1 O ATOM 15035 H1 TIP3 4637 23.723 52.115 -7.942 1.00 0.00 WT1 H ATOM 15036 H2 TIP3 4637 23.602 51.074 -9.034 1.00 0.00 WT1 H ATOM 15037 OH2 TIP3 4638 65.252 95.771 -12.928 1.00 0.00 WT1 O ATOM 15038 H1 TIP3 4638 65.341 94.827 -12.804 1.00 0.00 WT1 H ATOM 15039 H2 TIP3 4638 64.330 95.899 -13.149 1.00 0.00 WT1 H ATOM 15040 OH2 TIP3 4639 70.243 12.347 42.369 1.00 0.00 WT1 O ATOM 15041 H1 TIP3 4639 70.601 11.749 41.713 1.00 0.00 WT1 H ATOM 15042 H2 TIP3 4639 70.495 11.961 43.208 1.00 0.00 WT1 H ATOM 15043 OH2 TIP3 4640 80.770 31.998 48.568 1.00 0.00 WT1 O ATOM 15044 H1 TIP3 4640 80.074 31.354 48.702 1.00 0.00 WT1 H ATOM 15045 H2 TIP3 4640 80.431 32.801 48.963 1.00 0.00 WT1 H ATOM 15046 OH2 TIP3 4641 61.556 18.677 12.736 1.00 0.00 WT1 O ATOM 15047 H1 TIP3 4641 60.931 19.353 12.472 1.00 0.00 WT1 H ATOM 15048 H2 TIP3 4641 61.302 17.905 12.231 1.00 0.00 WT1 H ATOM 15049 OH2 TIP3 4643 26.885 28.397 -15.700 1.00 0.00 WT1 O ATOM 15050 H1 TIP3 4643 27.708 28.885 -15.658 1.00 0.00 WT1 H ATOM 15051 H2 TIP3 4643 26.225 29.057 -15.909 1.00 0.00 WT1 H ATOM 15052 OH2 TIP3 4645 20.458 18.549 -18.948 1.00 0.00 WT1 O ATOM 15053 H1 TIP3 4645 20.869 17.714 -19.171 1.00 0.00 WT1 H ATOM 15054 H2 TIP3 4645 21.186 19.114 -18.691 1.00 0.00 WT1 H ATOM 15055 OH2 TIP3 4647 36.398 35.842 15.075 1.00 0.00 WT1 O ATOM 15056 H1 TIP3 4647 35.918 35.341 15.734 1.00 0.00 WT1 H ATOM 15057 H2 TIP3 4647 36.926 36.460 15.582 1.00 0.00 WT1 H ATOM 15058 OH2 TIP3 4648 50.980 46.387 42.204 1.00 0.00 WT1 O ATOM 15059 H1 TIP3 4648 50.905 45.707 41.535 1.00 0.00 WT1 H ATOM 15060 H2 TIP3 4648 50.557 46.013 42.977 1.00 0.00 WT1 H ATOM 15061 OH2 TIP3 4649 57.427 58.098 -19.113 1.00 0.00 WT1 O ATOM 15062 H1 TIP3 4649 58.132 57.475 -18.934 1.00 0.00 WT1 H ATOM 15063 H2 TIP3 4649 56.791 57.947 -18.414 1.00 0.00 WT1 H ATOM 15064 OH2 TIP3 4650 28.873 36.039 22.259 1.00 0.00 WT1 O ATOM 15065 H1 TIP3 4650 28.681 36.926 22.564 1.00 0.00 WT1 H ATOM 15066 H2 TIP3 4650 28.532 36.013 21.365 1.00 0.00 WT1 H ATOM 15067 OH2 TIP3 4653 30.976 82.600 14.054 1.00 0.00 WT1 O ATOM 15068 H1 TIP3 4653 31.813 82.800 14.473 1.00 0.00 WT1 H ATOM 15069 H2 TIP3 4653 31.216 82.163 13.237 1.00 0.00 WT1 H ATOM 15070 OH2 TIP3 4654 28.756 76.875 31.027 1.00 0.00 WT1 O ATOM 15071 H1 TIP3 4654 28.971 76.835 30.095 1.00 0.00 WT1 H ATOM 15072 H2 TIP3 4654 29.025 77.753 31.298 1.00 0.00 WT1 H ATOM 15073 OH2 TIP3 4656 38.272 55.899 -18.048 1.00 0.00 WT1 O ATOM 15074 H1 TIP3 4656 38.105 55.339 -17.291 1.00 0.00 WT1 H ATOM 15075 H2 TIP3 4656 39.046 56.407 -17.805 1.00 0.00 WT1 H ATOM 15076 OH2 TIP3 4657 42.398 20.288 47.288 1.00 0.00 WT1 O ATOM 15077 H1 TIP3 4657 41.877 20.611 48.022 1.00 0.00 WT1 H ATOM 15078 H2 TIP3 4657 41.941 20.607 46.510 1.00 0.00 WT1 H ATOM 15079 OH2 TIP3 4658 56.995 40.091 -10.892 1.00 0.00 WT1 O ATOM 15080 H1 TIP3 4658 56.175 40.333 -10.461 1.00 0.00 WT1 H ATOM 15081 H2 TIP3 4658 56.779 40.075 -11.825 1.00 0.00 WT1 H ATOM 15082 OH2 TIP3 4660 69.857 37.202 16.919 1.00 0.00 WT1 O ATOM 15083 H1 TIP3 4660 68.932 36.961 16.967 1.00 0.00 WT1 H ATOM 15084 H2 TIP3 4660 69.904 37.834 16.202 1.00 0.00 WT1 H ATOM 15085 OH2 TIP3 4661 35.517 51.124 48.962 1.00 0.00 WT1 O ATOM 15086 H1 TIP3 4661 35.535 51.021 49.913 1.00 0.00 WT1 H ATOM 15087 H2 TIP3 4661 34.590 51.230 48.749 1.00 0.00 WT1 H ATOM 15088 OH2 TIP3 4662 22.890 61.428 29.358 1.00 0.00 WT1 O ATOM 15089 H1 TIP3 4662 23.057 60.936 30.162 1.00 0.00 WT1 H ATOM 15090 H2 TIP3 4662 21.947 61.592 29.368 1.00 0.00 WT1 H ATOM 15091 OH2 TIP3 4663 24.610 4.813 52.594 1.00 0.00 WT1 O ATOM 15092 H1 TIP3 4663 24.270 3.918 52.580 1.00 0.00 WT1 H ATOM 15093 H2 TIP3 4663 25.425 4.767 52.095 1.00 0.00 WT1 H ATOM 15094 OH2 TIP3 4664 30.956 48.734 -11.707 1.00 0.00 WT1 O ATOM 15095 H1 TIP3 4664 30.121 48.858 -11.257 1.00 0.00 WT1 H ATOM 15096 H2 TIP3 4664 31.181 49.602 -12.042 1.00 0.00 WT1 H ATOM 15097 OH2 TIP3 4665 65.374 69.436 49.854 1.00 0.00 WT1 O ATOM 15098 H1 TIP3 4665 64.865 69.876 50.536 1.00 0.00 WT1 H ATOM 15099 H2 TIP3 4665 66.260 69.784 49.953 1.00 0.00 WT1 H ATOM 15100 OH2 TIP3 4666 62.376 36.210 16.280 1.00 0.00 WT1 O ATOM 15101 H1 TIP3 4666 61.940 35.500 15.809 1.00 0.00 WT1 H ATOM 15102 H2 TIP3 4666 61.679 36.623 16.790 1.00 0.00 WT1 H ATOM 15103 OH2 TIP3 4667 87.822 4.570 64.293 1.00 0.00 WT1 O ATOM 15104 H1 TIP3 4667 87.293 4.943 64.998 1.00 0.00 WT1 H ATOM 15105 H2 TIP3 4667 88.595 5.133 64.250 1.00 0.00 WT1 H ATOM 15106 OH2 TIP3 4668 77.722 60.363 64.746 1.00 0.00 WT1 O ATOM 15107 H1 TIP3 4668 77.280 60.914 65.391 1.00 0.00 WT1 H ATOM 15108 H2 TIP3 4668 77.158 60.397 63.973 1.00 0.00 WT1 H ATOM 15109 OH2 TIP3 4669 53.907 39.616 10.752 1.00 0.00 WT1 O ATOM 15110 H1 TIP3 4669 53.630 38.778 11.123 1.00 0.00 WT1 H ATOM 15111 H2 TIP3 4669 53.625 40.268 11.393 1.00 0.00 WT1 H ATOM 15112 OH2 TIP3 4670 72.589 45.516 14.947 1.00 0.00 WT1 O ATOM 15113 H1 TIP3 4670 72.831 45.283 14.050 1.00 0.00 WT1 H ATOM 15114 H2 TIP3 4670 71.658 45.734 14.895 1.00 0.00 WT1 H ATOM 15115 OH2 TIP3 4672 66.742 46.886 22.581 1.00 0.00 WT1 O ATOM 15116 H1 TIP3 4672 66.667 47.786 22.898 1.00 0.00 WT1 H ATOM 15117 H2 TIP3 4672 66.157 46.850 21.824 1.00 0.00 WT1 H ATOM 15118 OH2 TIP3 4673 31.339 75.046 15.684 1.00 0.00 WT1 O ATOM 15119 H1 TIP3 4673 32.086 74.485 15.891 1.00 0.00 WT1 H ATOM 15120 H2 TIP3 4673 31.044 75.377 16.532 1.00 0.00 WT1 H ATOM 15121 OH2 TIP3 4679 66.998 23.755 44.318 1.00 0.00 WT1 O ATOM 15122 H1 TIP3 4679 66.909 24.672 44.578 1.00 0.00 WT1 H ATOM 15123 H2 TIP3 4679 67.416 23.790 43.458 1.00 0.00 WT1 H ATOM 15124 OH2 TIP3 4680 78.505 4.040 39.490 1.00 0.00 WT1 O ATOM 15125 H1 TIP3 4680 79.149 4.215 38.804 1.00 0.00 WT1 H ATOM 15126 H2 TIP3 4680 77.662 4.046 39.036 1.00 0.00 WT1 H ATOM 15127 OH2 TIP3 4681 77.942 54.743 61.345 1.00 0.00 WT1 O ATOM 15128 H1 TIP3 4681 77.048 54.435 61.491 1.00 0.00 WT1 H ATOM 15129 H2 TIP3 4681 77.841 55.660 61.088 1.00 0.00 WT1 H ATOM 15130 OH2 TIP3 4682 73.476 43.737 66.646 1.00 0.00 WT1 O ATOM 15131 H1 TIP3 4682 73.718 42.813 66.585 1.00 0.00 WT1 H ATOM 15132 H2 TIP3 4682 72.631 43.736 67.094 1.00 0.00 WT1 H ATOM 15133 OH2 TIP3 4683 47.087 2.669 30.509 1.00 0.00 WT1 O ATOM 15134 H1 TIP3 4683 47.680 1.961 30.258 1.00 0.00 WT1 H ATOM 15135 H2 TIP3 4683 46.612 2.880 29.705 1.00 0.00 WT1 H ATOM 15136 OH2 TIP3 4684 68.300 76.334 20.523 1.00 0.00 WT1 O ATOM 15137 H1 TIP3 4684 68.547 76.752 19.699 1.00 0.00 WT1 H ATOM 15138 H2 TIP3 4684 67.722 75.616 20.264 1.00 0.00 WT1 H ATOM 15139 OH2 TIP3 4685 33.067 66.940 1.573 1.00 0.00 WT1 O ATOM 15140 H1 TIP3 4685 32.216 66.908 2.010 1.00 0.00 WT1 H ATOM 15141 H2 TIP3 4685 33.673 67.239 2.251 1.00 0.00 WT1 H ATOM 15142 OH2 TIP3 4686 34.459 4.127 65.238 1.00 0.00 WT1 O ATOM 15143 H1 TIP3 4686 34.118 4.516 66.043 1.00 0.00 WT1 H ATOM 15144 H2 TIP3 4686 33.698 3.714 64.830 1.00 0.00 WT1 H ATOM 15145 OH2 TIP3 4687 85.081 2.667 37.984 1.00 0.00 WT1 O ATOM 15146 H1 TIP3 4687 84.346 2.175 37.617 1.00 0.00 WT1 H ATOM 15147 H2 TIP3 4687 85.399 2.121 38.704 1.00 0.00 WT1 H ATOM 15148 OH2 TIP3 4690 39.258 20.613 -5.218 1.00 0.00 WT1 O ATOM 15149 H1 TIP3 4690 39.860 21.343 -5.074 1.00 0.00 WT1 H ATOM 15150 H2 TIP3 4690 39.419 20.021 -4.483 1.00 0.00 WT1 H ATOM 15151 OH2 TIP3 4691 33.018 56.731 21.118 1.00 0.00 WT1 O ATOM 15152 H1 TIP3 4691 33.719 56.236 20.693 1.00 0.00 WT1 H ATOM 15153 H2 TIP3 4691 33.417 57.573 21.337 1.00 0.00 WT1 H ATOM 15154 OH2 TIP3 4694 39.621 56.717 47.344 1.00 0.00 WT1 O ATOM 15155 H1 TIP3 4694 40.308 56.677 48.010 1.00 0.00 WT1 H ATOM 15156 H2 TIP3 4694 40.055 56.446 46.535 1.00 0.00 WT1 H ATOM 15157 OH2 TIP3 4701 43.997 5.472 27.506 1.00 0.00 WT1 O ATOM 15158 H1 TIP3 4701 43.097 5.586 27.811 1.00 0.00 WT1 H ATOM 15159 H2 TIP3 4701 44.536 5.819 28.217 1.00 0.00 WT1 H ATOM 15160 OH2 TIP3 4702 57.701 39.387 34.719 1.00 0.00 WT1 O ATOM 15161 H1 TIP3 4702 56.898 38.877 34.828 1.00 0.00 WT1 H ATOM 15162 H2 TIP3 4702 58.399 38.797 35.003 1.00 0.00 WT1 H ATOM 15163 OH2 TIP3 4703 33.445 46.756 63.138 1.00 0.00 WT1 O ATOM 15164 H1 TIP3 4703 34.168 47.364 62.986 1.00 0.00 WT1 H ATOM 15165 H2 TIP3 4703 33.822 46.065 63.682 1.00 0.00 WT1 H ATOM 15166 OH2 TIP3 4704 42.015 71.932 8.015 1.00 0.00 WT1 O ATOM 15167 H1 TIP3 4704 42.383 71.334 7.365 1.00 0.00 WT1 H ATOM 15168 H2 TIP3 4704 42.706 72.031 8.670 1.00 0.00 WT1 H ATOM 15169 OH2 TIP3 4705 69.340 83.133 19.497 1.00 0.00 WT1 O ATOM 15170 H1 TIP3 4705 69.195 82.603 18.714 1.00 0.00 WT1 H ATOM 15171 H2 TIP3 4705 68.479 83.191 19.911 1.00 0.00 WT1 H ATOM 15172 OH2 TIP3 4706 40.430 7.875 60.273 1.00 0.00 WT1 O ATOM 15173 H1 TIP3 4706 39.924 7.185 60.703 1.00 0.00 WT1 H ATOM 15174 H2 TIP3 4706 40.644 8.488 60.976 1.00 0.00 WT1 H ATOM 15175 OH2 TIP3 4707 60.532 58.446 25.950 1.00 0.00 WT1 O ATOM 15176 H1 TIP3 4707 60.096 57.813 25.379 1.00 0.00 WT1 H ATOM 15177 H2 TIP3 4707 59.875 58.663 26.612 1.00 0.00 WT1 H ATOM 15178 OH2 TIP3 4708 50.014 38.246 26.978 1.00 0.00 WT1 O ATOM 15179 H1 TIP3 4708 50.285 38.223 26.060 1.00 0.00 WT1 H ATOM 15180 H2 TIP3 4708 50.581 37.608 27.412 1.00 0.00 WT1 H ATOM 15181 OH2 TIP3 4709 39.354 28.947 57.907 1.00 0.00 WT1 O ATOM 15182 H1 TIP3 4709 39.669 28.173 57.440 1.00 0.00 WT1 H ATOM 15183 H2 TIP3 4709 38.610 28.631 58.419 1.00 0.00 WT1 H ATOM 15184 OH2 TIP3 4710 61.018 25.691 27.002 1.00 0.00 WT1 O ATOM 15185 H1 TIP3 4710 60.684 26.261 27.695 1.00 0.00 WT1 H ATOM 15186 H2 TIP3 4710 60.385 25.783 26.290 1.00 0.00 WT1 H ATOM 15187 OH2 TIP3 4712 25.750 37.771 24.703 1.00 0.00 WT1 O ATOM 15188 H1 TIP3 4712 26.252 38.480 25.105 1.00 0.00 WT1 H ATOM 15189 H2 TIP3 4712 25.029 37.611 25.312 1.00 0.00 WT1 H ATOM 15190 OH2 TIP3 4713 53.455 34.081 14.594 1.00 0.00 WT1 O ATOM 15191 H1 TIP3 4713 52.515 34.065 14.769 1.00 0.00 WT1 H ATOM 15192 H2 TIP3 4713 53.810 33.363 15.118 1.00 0.00 WT1 H ATOM 15193 OH2 TIP3 4717 63.720 39.025 -14.629 1.00 0.00 WT1 O ATOM 15194 H1 TIP3 4717 63.251 38.569 -15.327 1.00 0.00 WT1 H ATOM 15195 H2 TIP3 4717 64.075 38.325 -14.081 1.00 0.00 WT1 H ATOM 15196 OH2 TIP3 4719 67.005 3.224 38.169 1.00 0.00 WT1 O ATOM 15197 H1 TIP3 4719 66.834 3.558 37.288 1.00 0.00 WT1 H ATOM 15198 H2 TIP3 4719 66.514 3.808 38.746 1.00 0.00 WT1 H ATOM 15199 OH2 TIP3 4721 29.935 35.297 34.659 1.00 0.00 WT1 O ATOM 15200 H1 TIP3 4721 30.761 35.337 34.177 1.00 0.00 WT1 H ATOM 15201 H2 TIP3 4721 29.330 35.829 34.142 1.00 0.00 WT1 H ATOM 15202 OH2 TIP3 4722 51.936 47.234 56.981 1.00 0.00 WT1 O ATOM 15203 H1 TIP3 4722 52.069 48.182 56.958 1.00 0.00 WT1 H ATOM 15204 H2 TIP3 4722 52.046 46.999 57.902 1.00 0.00 WT1 H ATOM 15205 OH2 TIP3 4723 68.923 56.304 32.650 1.00 0.00 WT1 O ATOM 15206 H1 TIP3 4723 68.949 55.897 31.784 1.00 0.00 WT1 H ATOM 15207 H2 TIP3 4723 68.135 56.847 32.637 1.00 0.00 WT1 H ATOM 15208 OH2 TIP3 4724 59.297 41.560 35.105 1.00 0.00 WT1 O ATOM 15209 H1 TIP3 4724 59.994 42.156 34.829 1.00 0.00 WT1 H ATOM 15210 H2 TIP3 4724 59.489 41.377 36.025 1.00 0.00 WT1 H ATOM 15211 OH2 TIP3 4725 49.212 76.576 52.748 1.00 0.00 WT1 O ATOM 15212 H1 TIP3 4725 49.497 76.237 51.900 1.00 0.00 WT1 H ATOM 15213 H2 TIP3 4725 49.990 76.521 53.302 1.00 0.00 WT1 H ATOM 15214 OH2 TIP3 4726 69.323 65.322 -8.225 1.00 0.00 WT1 O ATOM 15215 H1 TIP3 4726 69.108 65.104 -7.318 1.00 0.00 WT1 H ATOM 15216 H2 TIP3 4726 68.576 65.003 -8.732 1.00 0.00 WT1 H ATOM 15217 OH2 TIP3 4727 27.484 31.251 34.929 1.00 0.00 WT1 O ATOM 15218 H1 TIP3 4727 27.089 31.802 35.605 1.00 0.00 WT1 H ATOM 15219 H2 TIP3 4727 27.316 30.355 35.221 1.00 0.00 WT1 H ATOM 15220 OH2 TIP3 4729 68.358 23.628 16.328 1.00 0.00 WT1 O ATOM 15221 H1 TIP3 4729 67.737 24.170 15.840 1.00 0.00 WT1 H ATOM 15222 H2 TIP3 4729 67.974 23.552 17.202 1.00 0.00 WT1 H ATOM 15223 OH2 TIP3 4732 76.322 92.184 -18.540 1.00 0.00 WT1 O ATOM 15224 H1 TIP3 4732 76.509 92.981 -19.036 1.00 0.00 WT1 H ATOM 15225 H2 TIP3 4732 76.267 92.476 -17.630 1.00 0.00 WT1 H ATOM 15226 OH2 TIP3 4733 74.338 66.418 33.007 1.00 0.00 WT1 O ATOM 15227 H1 TIP3 4733 74.204 66.641 32.086 1.00 0.00 WT1 H ATOM 15228 H2 TIP3 4733 73.477 66.531 33.410 1.00 0.00 WT1 H ATOM 15229 OH2 TIP3 4736 32.194 63.997 21.948 1.00 0.00 WT1 O ATOM 15230 H1 TIP3 4736 32.745 64.515 22.535 1.00 0.00 WT1 H ATOM 15231 H2 TIP3 4736 31.990 64.589 21.225 1.00 0.00 WT1 H ATOM 15232 OH2 TIP3 4737 57.382 49.785 33.378 1.00 0.00 WT1 O ATOM 15233 H1 TIP3 4737 56.921 49.499 32.589 1.00 0.00 WT1 H ATOM 15234 H2 TIP3 4737 58.134 50.278 33.050 1.00 0.00 WT1 H ATOM 15235 OH2 TIP3 4739 79.050 56.934 57.702 1.00 0.00 WT1 O ATOM 15236 H1 TIP3 4739 79.870 57.159 57.263 1.00 0.00 WT1 H ATOM 15237 H2 TIP3 4739 78.455 56.696 56.991 1.00 0.00 WT1 H ATOM 15238 OH2 TIP3 4743 45.817 48.143 5.647 1.00 0.00 WT1 O ATOM 15239 H1 TIP3 4743 46.593 47.705 5.998 1.00 0.00 WT1 H ATOM 15240 H2 TIP3 4743 46.143 48.982 5.322 1.00 0.00 WT1 H ATOM 15241 OH2 TIP3 4746 28.253 45.640 -15.000 1.00 0.00 WT1 O ATOM 15242 H1 TIP3 4746 28.524 46.426 -14.526 1.00 0.00 WT1 H ATOM 15243 H2 TIP3 4746 28.898 44.977 -14.754 1.00 0.00 WT1 H ATOM 15244 OH2 TIP3 4747 52.721 25.968 1.840 1.00 0.00 WT1 O ATOM 15245 H1 TIP3 4747 53.044 25.702 2.701 1.00 0.00 WT1 H ATOM 15246 H2 TIP3 4747 53.464 26.415 1.433 1.00 0.00 WT1 H ATOM 15247 OH2 TIP3 4748 26.720 29.441 23.633 1.00 0.00 WT1 O ATOM 15248 H1 TIP3 4748 27.338 29.862 23.036 1.00 0.00 WT1 H ATOM 15249 H2 TIP3 4748 25.870 29.536 23.203 1.00 0.00 WT1 H ATOM 15250 OH2 TIP3 4749 42.793 30.574 41.845 1.00 0.00 WT1 O ATOM 15251 H1 TIP3 4749 42.245 30.705 42.619 1.00 0.00 WT1 H ATOM 15252 H2 TIP3 4749 43.034 31.459 41.570 1.00 0.00 WT1 H ATOM 15253 OH2 TIP3 4750 44.403 61.236 51.834 1.00 0.00 WT1 O ATOM 15254 H1 TIP3 4750 44.292 62.173 51.997 1.00 0.00 WT1 H ATOM 15255 H2 TIP3 4750 44.025 61.097 50.966 1.00 0.00 WT1 H ATOM 15256 OH2 TIP3 4751 34.598 45.153 24.664 1.00 0.00 WT1 O ATOM 15257 H1 TIP3 4751 34.517 45.019 23.720 1.00 0.00 WT1 H ATOM 15258 H2 TIP3 4751 34.713 44.273 25.023 1.00 0.00 WT1 H ATOM 15259 OH2 TIP3 4752 51.875 40.019 48.475 1.00 0.00 WT1 O ATOM 15260 H1 TIP3 4752 51.189 40.621 48.762 1.00 0.00 WT1 H ATOM 15261 H2 TIP3 4752 51.910 39.350 49.159 1.00 0.00 WT1 H ATOM 15262 OH2 TIP3 4754 89.861 24.168 -6.552 1.00 0.00 WT1 O ATOM 15263 H1 TIP3 4754 90.765 24.030 -6.832 1.00 0.00 WT1 H ATOM 15264 H2 TIP3 4754 89.466 24.680 -7.257 1.00 0.00 WT1 H ATOM 15265 OH2 TIP3 4759 86.963 16.921 64.200 1.00 0.00 WT1 O ATOM 15266 H1 TIP3 4759 87.073 15.982 64.352 1.00 0.00 WT1 H ATOM 15267 H2 TIP3 4759 86.158 16.989 63.687 1.00 0.00 WT1 H ATOM 15268 OH2 TIP3 4760 26.436 22.936 42.961 1.00 0.00 WT1 O ATOM 15269 H1 TIP3 4760 27.081 23.423 43.474 1.00 0.00 WT1 H ATOM 15270 H2 TIP3 4760 26.177 23.540 42.266 1.00 0.00 WT1 H ATOM 15271 OH2 TIP3 4761 80.660 45.531 46.024 1.00 0.00 WT1 O ATOM 15272 H1 TIP3 4761 80.131 46.240 46.389 1.00 0.00 WT1 H ATOM 15273 H2 TIP3 4761 80.025 44.853 45.793 1.00 0.00 WT1 H ATOM 15274 OH2 TIP3 4765 73.371 27.721 35.216 1.00 0.00 WT1 O ATOM 15275 H1 TIP3 4765 73.869 27.650 34.402 1.00 0.00 WT1 H ATOM 15276 H2 TIP3 4765 72.455 27.710 34.940 1.00 0.00 WT1 H ATOM 15277 OH2 TIP3 4767 63.520 67.008 65.207 1.00 0.00 WT1 O ATOM 15278 H1 TIP3 4767 63.888 67.171 66.076 1.00 0.00 WT1 H ATOM 15279 H2 TIP3 4767 62.582 67.169 65.309 1.00 0.00 WT1 H ATOM 15280 OH2 TIP3 4768 26.279 18.167 -8.189 1.00 0.00 WT1 O ATOM 15281 H1 TIP3 4768 25.868 18.847 -8.723 1.00 0.00 WT1 H ATOM 15282 H2 TIP3 4768 26.741 18.649 -7.503 1.00 0.00 WT1 H ATOM 15283 OH2 TIP3 4769 23.561 89.493 54.483 1.00 0.00 WT1 O ATOM 15284 H1 TIP3 4769 22.772 89.419 53.946 1.00 0.00 WT1 H ATOM 15285 H2 TIP3 4769 24.255 89.112 53.945 1.00 0.00 WT1 H ATOM 15286 OH2 TIP3 4770 80.959 80.654 60.425 1.00 0.00 WT1 O ATOM 15287 H1 TIP3 4770 81.522 79.914 60.651 1.00 0.00 WT1 H ATOM 15288 H2 TIP3 4770 80.134 80.253 60.150 1.00 0.00 WT1 H ATOM 15289 OH2 TIP3 4771 32.712 44.036 18.844 1.00 0.00 WT1 O ATOM 15290 H1 TIP3 4771 32.714 43.132 18.526 1.00 0.00 WT1 H ATOM 15291 H2 TIP3 4771 33.615 44.332 18.729 1.00 0.00 WT1 H ATOM 15292 OH2 TIP3 4772 87.464 76.394 46.032 1.00 0.00 WT1 O ATOM 15293 H1 TIP3 4772 88.161 77.036 45.897 1.00 0.00 WT1 H ATOM 15294 H2 TIP3 4772 87.661 75.691 45.413 1.00 0.00 WT1 H ATOM 15295 OH2 TIP3 4773 26.509 1.910 16.533 1.00 0.00 WT1 O ATOM 15296 H1 TIP3 4773 25.592 1.945 16.258 1.00 0.00 WT1 H ATOM 15297 H2 TIP3 4773 26.980 2.405 15.862 1.00 0.00 WT1 H ATOM 15298 OH2 TIP3 4774 71.203 59.823 60.892 1.00 0.00 WT1 O ATOM 15299 H1 TIP3 4774 70.919 59.977 61.794 1.00 0.00 WT1 H ATOM 15300 H2 TIP3 4774 70.507 60.201 60.354 1.00 0.00 WT1 H ATOM 15301 OH2 TIP3 4776 51.232 34.101 17.567 1.00 0.00 WT1 O ATOM 15302 H1 TIP3 4776 52.076 34.391 17.911 1.00 0.00 WT1 H ATOM 15303 H2 TIP3 4776 50.674 34.015 18.340 1.00 0.00 WT1 H ATOM 15304 OH2 TIP3 4777 67.216 85.360 36.178 1.00 0.00 WT1 O ATOM 15305 H1 TIP3 4777 67.591 85.576 35.324 1.00 0.00 WT1 H ATOM 15306 H2 TIP3 4777 66.842 84.487 36.061 1.00 0.00 WT1 H ATOM 15307 OH2 TIP3 4779 51.136 88.241 34.823 1.00 0.00 WT1 O ATOM 15308 H1 TIP3 4779 51.566 87.429 35.091 1.00 0.00 WT1 H ATOM 15309 H2 TIP3 4779 51.381 88.876 35.497 1.00 0.00 WT1 H ATOM 15310 OH2 TIP3 4783 76.098 45.462 46.794 1.00 0.00 WT1 O ATOM 15311 H1 TIP3 4783 76.494 45.440 47.665 1.00 0.00 WT1 H ATOM 15312 H2 TIP3 4783 75.991 46.393 46.602 1.00 0.00 WT1 H ATOM 15313 OH2 TIP3 4786 39.903 84.495 36.843 1.00 0.00 WT1 O ATOM 15314 H1 TIP3 4786 40.835 84.705 36.783 1.00 0.00 WT1 H ATOM 15315 H2 TIP3 4786 39.747 83.888 36.119 1.00 0.00 WT1 H ATOM 15316 OH2 TIP3 4787 26.525 30.845 -10.004 1.00 0.00 WT1 O ATOM 15317 H1 TIP3 4787 26.956 30.441 -10.757 1.00 0.00 WT1 H ATOM 15318 H2 TIP3 4787 25.594 30.662 -10.134 1.00 0.00 WT1 H ATOM 15319 OH2 TIP3 4788 86.144 27.439 33.671 1.00 0.00 WT1 O ATOM 15320 H1 TIP3 4788 85.786 27.225 34.533 1.00 0.00 WT1 H ATOM 15321 H2 TIP3 4788 86.019 28.384 33.587 1.00 0.00 WT1 H ATOM 15322 OH2 TIP3 4790 34.485 4.391 10.288 1.00 0.00 WT1 O ATOM 15323 H1 TIP3 4790 34.817 5.254 10.041 1.00 0.00 WT1 H ATOM 15324 H2 TIP3 4790 33.548 4.526 10.429 1.00 0.00 WT1 H ATOM 15325 OH2 TIP3 4791 62.030 24.869 -7.376 1.00 0.00 WT1 O ATOM 15326 H1 TIP3 4791 62.029 24.385 -6.550 1.00 0.00 WT1 H ATOM 15327 H2 TIP3 4791 61.355 24.443 -7.904 1.00 0.00 WT1 H ATOM 15328 OH2 TIP3 4793 77.782 60.430 23.703 1.00 0.00 WT1 O ATOM 15329 H1 TIP3 4793 76.826 60.405 23.722 1.00 0.00 WT1 H ATOM 15330 H2 TIP3 4793 78.050 59.551 23.973 1.00 0.00 WT1 H ATOM 15331 OH2 TIP3 4794 52.254 96.336 -0.095 1.00 0.00 WT1 O ATOM 15332 H1 TIP3 4794 52.011 95.417 0.023 1.00 0.00 WT1 H ATOM 15333 H2 TIP3 4794 52.388 96.664 0.793 1.00 0.00 WT1 H ATOM 15334 OH2 TIP3 4796 54.750 50.708 18.427 1.00 0.00 WT1 O ATOM 15335 H1 TIP3 4796 55.606 50.476 18.788 1.00 0.00 WT1 H ATOM 15336 H2 TIP3 4796 54.121 50.355 19.056 1.00 0.00 WT1 H ATOM 15337 OH2 TIP3 4797 44.635 49.494 -10.345 1.00 0.00 WT1 O ATOM 15338 H1 TIP3 4797 44.774 49.545 -9.399 1.00 0.00 WT1 H ATOM 15339 H2 TIP3 4797 44.215 50.324 -10.571 1.00 0.00 WT1 H ATOM 15340 OH2 TIP3 4798 27.712 2.323 23.907 1.00 0.00 WT1 O ATOM 15341 H1 TIP3 4798 28.571 2.269 23.489 1.00 0.00 WT1 H ATOM 15342 H2 TIP3 4798 27.111 2.536 23.193 1.00 0.00 WT1 H ATOM 15343 OH2 TIP3 4799 65.160 73.487 28.318 1.00 0.00 WT1 O ATOM 15344 H1 TIP3 4799 65.001 72.612 27.964 1.00 0.00 WT1 H ATOM 15345 H2 TIP3 4799 64.317 73.753 28.686 1.00 0.00 WT1 H ATOM 15346 OH2 TIP3 4800 81.319 15.344 54.625 1.00 0.00 WT1 O ATOM 15347 H1 TIP3 4800 80.974 15.967 55.265 1.00 0.00 WT1 H ATOM 15348 H2 TIP3 4800 80.798 15.497 53.837 1.00 0.00 WT1 H ATOM 15349 OH2 TIP3 4801 58.977 16.734 14.487 1.00 0.00 WT1 O ATOM 15350 H1 TIP3 4801 59.871 16.925 14.771 1.00 0.00 WT1 H ATOM 15351 H2 TIP3 4801 59.014 15.831 14.171 1.00 0.00 WT1 H ATOM 15352 OH2 TIP3 4804 85.707 28.213 11.104 1.00 0.00 WT1 O ATOM 15353 H1 TIP3 4804 85.977 29.127 11.012 1.00 0.00 WT1 H ATOM 15354 H2 TIP3 4804 86.175 27.754 10.407 1.00 0.00 WT1 H ATOM 15355 OH2 TIP3 4805 35.685 88.413 42.436 1.00 0.00 WT1 O ATOM 15356 H1 TIP3 4805 35.404 88.219 43.330 1.00 0.00 WT1 H ATOM 15357 H2 TIP3 4805 36.548 88.815 42.539 1.00 0.00 WT1 H ATOM 15358 OH2 TIP3 4806 53.708 2.567 -11.132 1.00 0.00 WT1 O ATOM 15359 H1 TIP3 4806 54.435 3.184 -11.040 1.00 0.00 WT1 H ATOM 15360 H2 TIP3 4806 53.863 1.910 -10.453 1.00 0.00 WT1 H ATOM 15361 OH2 TIP3 4807 77.037 35.498 26.140 1.00 0.00 WT1 O ATOM 15362 H1 TIP3 4807 76.138 35.637 25.842 1.00 0.00 WT1 H ATOM 15363 H2 TIP3 4807 77.580 35.793 25.409 1.00 0.00 WT1 H ATOM 15364 OH2 TIP3 4808 88.184 91.975 37.526 1.00 0.00 WT1 O ATOM 15365 H1 TIP3 4808 88.570 91.252 38.021 1.00 0.00 WT1 H ATOM 15366 H2 TIP3 4808 87.256 91.956 37.758 1.00 0.00 WT1 H ATOM 15367 OH2 TIP3 4809 22.154 42.423 30.548 1.00 0.00 WT1 O ATOM 15368 H1 TIP3 4809 22.420 42.984 31.276 1.00 0.00 WT1 H ATOM 15369 H2 TIP3 4809 21.237 42.650 30.392 1.00 0.00 WT1 H ATOM 15370 OH2 TIP3 4812 64.252 15.512 44.904 1.00 0.00 WT1 O ATOM 15371 H1 TIP3 4812 64.790 14.773 45.185 1.00 0.00 WT1 H ATOM 15372 H2 TIP3 4812 64.266 15.469 43.948 1.00 0.00 WT1 H ATOM 15373 OH2 TIP3 4813 32.560 41.765 -16.520 1.00 0.00 WT1 O ATOM 15374 H1 TIP3 4813 33.025 41.207 -15.896 1.00 0.00 WT1 H ATOM 15375 H2 TIP3 4813 32.253 42.506 -15.998 1.00 0.00 WT1 H ATOM 15376 OH2 TIP3 4814 25.408 31.109 2.774 1.00 0.00 WT1 O ATOM 15377 H1 TIP3 4814 24.896 31.053 3.580 1.00 0.00 WT1 H ATOM 15378 H2 TIP3 4814 26.116 31.720 2.981 1.00 0.00 WT1 H ATOM 15379 OH2 TIP3 4815 46.883 79.110 16.171 1.00 0.00 WT1 O ATOM 15380 H1 TIP3 4815 46.444 78.287 16.382 1.00 0.00 WT1 H ATOM 15381 H2 TIP3 4815 46.235 79.607 15.672 1.00 0.00 WT1 H ATOM 15382 OH2 TIP3 4816 85.418 8.399 43.820 1.00 0.00 WT1 O ATOM 15383 H1 TIP3 4816 84.634 7.934 44.110 1.00 0.00 WT1 H ATOM 15384 H2 TIP3 4816 86.136 7.788 43.988 1.00 0.00 WT1 H ATOM 15385 OH2 TIP3 4820 42.688 5.562 66.422 1.00 0.00 WT1 O ATOM 15386 H1 TIP3 4820 42.751 5.501 65.469 1.00 0.00 WT1 H ATOM 15387 H2 TIP3 4820 43.169 4.800 66.744 1.00 0.00 WT1 H ATOM 15388 OH2 TIP3 4821 87.711 79.198 -5.858 1.00 0.00 WT1 O ATOM 15389 H1 TIP3 4821 86.903 79.417 -6.320 1.00 0.00 WT1 H ATOM 15390 H2 TIP3 4821 87.671 79.708 -5.049 1.00 0.00 WT1 H ATOM 15391 OH2 TIP3 4822 42.995 37.103 46.895 1.00 0.00 WT1 O ATOM 15392 H1 TIP3 4822 42.494 36.310 47.087 1.00 0.00 WT1 H ATOM 15393 H2 TIP3 4822 42.486 37.551 46.220 1.00 0.00 WT1 H ATOM 15394 OH2 TIP3 4824 82.923 50.847 3.573 1.00 0.00 WT1 O ATOM 15395 H1 TIP3 4824 83.648 51.188 3.048 1.00 0.00 WT1 H ATOM 15396 H2 TIP3 4824 82.843 51.464 4.301 1.00 0.00 WT1 H ATOM 15397 OH2 TIP3 4825 35.591 42.863 59.572 1.00 0.00 WT1 O ATOM 15398 H1 TIP3 4825 35.036 43.597 59.310 1.00 0.00 WT1 H ATOM 15399 H2 TIP3 4825 35.425 42.759 60.509 1.00 0.00 WT1 H ATOM 15400 OH2 TIP3 4829 77.053 12.625 60.609 1.00 0.00 WT1 O ATOM 15401 H1 TIP3 4829 77.328 11.800 60.210 1.00 0.00 WT1 H ATOM 15402 H2 TIP3 4829 76.145 12.473 60.874 1.00 0.00 WT1 H ATOM 15403 OH2 TIP3 4832 61.336 94.354 11.559 1.00 0.00 WT1 O ATOM 15404 H1 TIP3 4832 61.003 93.466 11.685 1.00 0.00 WT1 H ATOM 15405 H2 TIP3 4832 60.588 94.846 11.222 1.00 0.00 WT1 H ATOM 15406 OH2 TIP3 4833 51.659 88.703 -8.945 1.00 0.00 WT1 O ATOM 15407 H1 TIP3 4833 51.128 87.927 -8.769 1.00 0.00 WT1 H ATOM 15408 H2 TIP3 4833 51.584 89.231 -8.149 1.00 0.00 WT1 H ATOM 15409 OH2 TIP3 4834 40.786 12.507 0.413 1.00 0.00 WT1 O ATOM 15410 H1 TIP3 4834 41.355 11.783 0.674 1.00 0.00 WT1 H ATOM 15411 H2 TIP3 4834 40.619 12.985 1.225 1.00 0.00 WT1 H ATOM 15412 OH2 TIP3 4835 76.979 9.462 35.463 1.00 0.00 WT1 O ATOM 15413 H1 TIP3 4835 76.231 9.289 36.034 1.00 0.00 WT1 H ATOM 15414 H2 TIP3 4835 76.637 9.341 34.577 1.00 0.00 WT1 H ATOM 15415 OH2 TIP3 4836 62.870 65.113 -15.407 1.00 0.00 WT1 O ATOM 15416 H1 TIP3 4836 62.302 65.567 -14.785 1.00 0.00 WT1 H ATOM 15417 H2 TIP3 4836 63.396 65.809 -15.803 1.00 0.00 WT1 H ATOM 15418 OH2 TIP3 4837 35.813 72.932 15.047 1.00 0.00 WT1 O ATOM 15419 H1 TIP3 4837 36.642 73.248 15.407 1.00 0.00 WT1 H ATOM 15420 H2 TIP3 4837 35.685 73.447 14.250 1.00 0.00 WT1 H ATOM 15421 OH2 TIP3 4838 46.134 7.163 36.609 1.00 0.00 WT1 O ATOM 15422 H1 TIP3 4838 46.326 6.349 36.144 1.00 0.00 WT1 H ATOM 15423 H2 TIP3 4838 46.961 7.646 36.599 1.00 0.00 WT1 H ATOM 15424 OH2 TIP3 4839 47.595 16.643 -13.153 1.00 0.00 WT1 O ATOM 15425 H1 TIP3 4839 48.332 17.205 -12.915 1.00 0.00 WT1 H ATOM 15426 H2 TIP3 4839 47.578 16.662 -14.110 1.00 0.00 WT1 H ATOM 15427 OH2 TIP3 4841 48.921 13.177 -11.152 1.00 0.00 WT1 O ATOM 15428 H1 TIP3 4841 49.578 13.452 -11.791 1.00 0.00 WT1 H ATOM 15429 H2 TIP3 4841 48.661 13.987 -10.711 1.00 0.00 WT1 H ATOM 15430 OH2 TIP3 4844 44.570 82.968 47.996 1.00 0.00 WT1 O ATOM 15431 H1 TIP3 4844 44.413 82.256 48.615 1.00 0.00 WT1 H ATOM 15432 H2 TIP3 4844 44.312 82.610 47.147 1.00 0.00 WT1 H ATOM 15433 OH2 TIP3 4845 55.830 87.472 2.496 1.00 0.00 WT1 O ATOM 15434 H1 TIP3 4845 54.938 87.585 2.166 1.00 0.00 WT1 H ATOM 15435 H2 TIP3 4845 55.724 87.365 3.442 1.00 0.00 WT1 H ATOM 15436 OH2 TIP3 4847 50.282 84.082 50.395 1.00 0.00 WT1 O ATOM 15437 H1 TIP3 4847 49.791 83.581 51.047 1.00 0.00 WT1 H ATOM 15438 H2 TIP3 4847 50.071 83.662 49.561 1.00 0.00 WT1 H ATOM 15439 OH2 TIP3 4849 84.485 48.365 63.643 1.00 0.00 WT1 O ATOM 15440 H1 TIP3 4849 84.986 48.739 64.368 1.00 0.00 WT1 H ATOM 15441 H2 TIP3 4849 84.701 48.916 62.891 1.00 0.00 WT1 H ATOM 15442 OH2 TIP3 4850 30.871 33.094 18.854 1.00 0.00 WT1 O ATOM 15443 H1 TIP3 4850 31.807 33.249 18.975 1.00 0.00 WT1 H ATOM 15444 H2 TIP3 4850 30.684 32.322 19.388 1.00 0.00 WT1 H ATOM 15445 OH2 TIP3 4851 51.706 33.626 58.277 1.00 0.00 WT1 O ATOM 15446 H1 TIP3 4851 51.452 34.400 57.774 1.00 0.00 WT1 H ATOM 15447 H2 TIP3 4851 51.952 32.980 57.615 1.00 0.00 WT1 H ATOM 15448 OH2 TIP3 4852 57.694 81.926 -5.264 1.00 0.00 WT1 O ATOM 15449 H1 TIP3 4852 57.915 81.188 -5.832 1.00 0.00 WT1 H ATOM 15450 H2 TIP3 4852 57.095 82.460 -5.786 1.00 0.00 WT1 H ATOM 15451 OH2 TIP3 4853 42.475 43.615 64.178 1.00 0.00 WT1 O ATOM 15452 H1 TIP3 4853 42.961 44.393 64.451 1.00 0.00 WT1 H ATOM 15453 H2 TIP3 4853 42.827 42.910 64.721 1.00 0.00 WT1 H ATOM 15454 OH2 TIP3 4854 75.210 22.746 -5.011 1.00 0.00 WT1 O ATOM 15455 H1 TIP3 4854 75.241 21.930 -5.511 1.00 0.00 WT1 H ATOM 15456 H2 TIP3 4854 74.564 23.284 -5.468 1.00 0.00 WT1 H ATOM 15457 OH2 TIP3 4855 66.846 28.864 18.509 1.00 0.00 WT1 O ATOM 15458 H1 TIP3 4855 66.128 29.250 18.006 1.00 0.00 WT1 H ATOM 15459 H2 TIP3 4855 66.620 27.936 18.575 1.00 0.00 WT1 H ATOM 15460 OH2 TIP3 4856 89.829 24.977 -3.909 1.00 0.00 WT1 O ATOM 15461 H1 TIP3 4856 89.502 25.777 -4.321 1.00 0.00 WT1 H ATOM 15462 H2 TIP3 4856 90.156 24.448 -4.637 1.00 0.00 WT1 H ATOM 15463 OH2 TIP3 4857 58.139 16.728 21.635 1.00 0.00 WT1 O ATOM 15464 H1 TIP3 4857 58.041 16.153 20.877 1.00 0.00 WT1 H ATOM 15465 H2 TIP3 4857 57.641 17.513 21.407 1.00 0.00 WT1 H ATOM 15466 OH2 TIP3 4858 51.923 6.846 20.792 1.00 0.00 WT1 O ATOM 15467 H1 TIP3 4858 51.694 7.343 20.006 1.00 0.00 WT1 H ATOM 15468 H2 TIP3 4858 51.136 6.340 20.993 1.00 0.00 WT1 H ATOM 15469 OH2 TIP3 4859 74.476 7.495 4.982 1.00 0.00 WT1 O ATOM 15470 H1 TIP3 4859 74.782 7.512 5.889 1.00 0.00 WT1 H ATOM 15471 H2 TIP3 4859 75.048 6.862 4.548 1.00 0.00 WT1 H ATOM 15472 OH2 TIP3 4861 78.567 32.281 61.614 1.00 0.00 WT1 O ATOM 15473 H1 TIP3 4861 78.033 31.491 61.538 1.00 0.00 WT1 H ATOM 15474 H2 TIP3 4861 77.933 32.990 61.723 1.00 0.00 WT1 H ATOM 15475 OH2 TIP3 4862 55.411 59.973 -4.703 1.00 0.00 WT1 O ATOM 15476 H1 TIP3 4862 55.587 60.580 -3.983 1.00 0.00 WT1 H ATOM 15477 H2 TIP3 4862 56.061 59.279 -4.596 1.00 0.00 WT1 H ATOM 15478 OH2 TIP3 4863 30.099 20.551 18.285 1.00 0.00 WT1 O ATOM 15479 H1 TIP3 4863 29.795 21.456 18.349 1.00 0.00 WT1 H ATOM 15480 H2 TIP3 4863 30.400 20.335 19.168 1.00 0.00 WT1 H ATOM 15481 OH2 TIP3 4864 31.466 26.719 21.669 1.00 0.00 WT1 O ATOM 15482 H1 TIP3 4864 31.160 27.616 21.802 1.00 0.00 WT1 H ATOM 15483 H2 TIP3 4864 30.801 26.319 21.109 1.00 0.00 WT1 H ATOM 15484 OH2 TIP3 4866 89.195 81.608 31.712 1.00 0.00 WT1 O ATOM 15485 H1 TIP3 4866 88.838 81.026 31.042 1.00 0.00 WT1 H ATOM 15486 H2 TIP3 4866 90.118 81.707 31.478 1.00 0.00 WT1 H ATOM 15487 OH2 TIP3 4869 73.598 27.421 21.869 1.00 0.00 WT1 O ATOM 15488 H1 TIP3 4869 73.985 26.825 22.510 1.00 0.00 WT1 H ATOM 15489 H2 TIP3 4869 74.243 27.468 21.164 1.00 0.00 WT1 H ATOM 15490 OH2 TIP3 4870 69.904 15.372 -1.707 1.00 0.00 WT1 O ATOM 15491 H1 TIP3 4870 69.362 14.668 -1.351 1.00 0.00 WT1 H ATOM 15492 H2 TIP3 4870 69.508 16.174 -1.367 1.00 0.00 WT1 H ATOM 15493 OH2 TIP3 4872 59.434 16.012 27.919 1.00 0.00 WT1 O ATOM 15494 H1 TIP3 4872 59.214 16.926 27.741 1.00 0.00 WT1 H ATOM 15495 H2 TIP3 4872 58.613 15.537 27.786 1.00 0.00 WT1 H ATOM 15496 OH2 TIP3 4873 77.769 47.436 27.068 1.00 0.00 WT1 O ATOM 15497 H1 TIP3 4873 76.988 46.890 26.977 1.00 0.00 WT1 H ATOM 15498 H2 TIP3 4873 77.453 48.242 27.475 1.00 0.00 WT1 H ATOM 15499 OH2 TIP3 4874 24.040 7.416 67.258 1.00 0.00 WT1 O ATOM 15500 H1 TIP3 4874 24.312 6.779 67.919 1.00 0.00 WT1 H ATOM 15501 H2 TIP3 4874 24.025 6.921 66.439 1.00 0.00 WT1 H ATOM 15502 OH2 TIP3 4875 36.281 27.329 6.092 1.00 0.00 WT1 O ATOM 15503 H1 TIP3 4875 35.922 27.509 6.961 1.00 0.00 WT1 H ATOM 15504 H2 TIP3 4875 37.160 27.706 6.112 1.00 0.00 WT1 H ATOM 15505 OH2 TIP3 4876 68.353 38.171 33.699 1.00 0.00 WT1 O ATOM 15506 H1 TIP3 4876 68.344 38.954 33.148 1.00 0.00 WT1 H ATOM 15507 H2 TIP3 4876 67.931 37.497 33.165 1.00 0.00 WT1 H ATOM 15508 OH2 TIP3 4877 23.717 4.138 -5.205 1.00 0.00 WT1 O ATOM 15509 H1 TIP3 4877 24.010 5.024 -4.991 1.00 0.00 WT1 H ATOM 15510 H2 TIP3 4877 22.779 4.229 -5.370 1.00 0.00 WT1 H ATOM 15511 OH2 TIP3 4879 52.109 4.009 -8.070 1.00 0.00 WT1 O ATOM 15512 H1 TIP3 4879 51.899 3.356 -8.738 1.00 0.00 WT1 H ATOM 15513 H2 TIP3 4879 51.300 4.507 -7.958 1.00 0.00 WT1 H ATOM 15514 OH2 TIP3 4880 84.529 87.845 50.344 1.00 0.00 WT1 O ATOM 15515 H1 TIP3 4880 85.300 87.815 49.777 1.00 0.00 WT1 H ATOM 15516 H2 TIP3 4880 84.800 87.393 51.143 1.00 0.00 WT1 H ATOM 15517 OH2 TIP3 4881 43.873 14.283 22.492 1.00 0.00 WT1 O ATOM 15518 H1 TIP3 4881 43.050 14.625 22.142 1.00 0.00 WT1 H ATOM 15519 H2 TIP3 4881 44.500 14.996 22.370 1.00 0.00 WT1 H ATOM 15520 OH2 TIP3 4882 89.464 5.522 36.482 1.00 0.00 WT1 O ATOM 15521 H1 TIP3 4882 89.152 5.963 35.691 1.00 0.00 WT1 H ATOM 15522 H2 TIP3 4882 90.412 5.460 36.363 1.00 0.00 WT1 H ATOM 15523 OH2 TIP3 4884 55.820 95.245 31.155 1.00 0.00 WT1 O ATOM 15524 H1 TIP3 4884 55.577 95.115 32.072 1.00 0.00 WT1 H ATOM 15525 H2 TIP3 4884 54.990 95.211 30.680 1.00 0.00 WT1 H ATOM 15526 OH2 TIP3 4887 30.464 6.839 55.657 1.00 0.00 WT1 O ATOM 15527 H1 TIP3 4887 30.607 6.645 54.731 1.00 0.00 WT1 H ATOM 15528 H2 TIP3 4887 30.793 7.731 55.769 1.00 0.00 WT1 H ATOM 15529 OH2 TIP3 4888 64.188 76.431 63.835 1.00 0.00 WT1 O ATOM 15530 H1 TIP3 4888 63.523 76.264 63.166 1.00 0.00 WT1 H ATOM 15531 H2 TIP3 4888 64.227 77.385 63.900 1.00 0.00 WT1 H ATOM 15532 OH2 TIP3 4890 47.895 9.928 54.804 1.00 0.00 WT1 O ATOM 15533 H1 TIP3 4890 47.600 10.177 53.928 1.00 0.00 WT1 H ATOM 15534 H2 TIP3 4890 47.087 9.789 55.298 1.00 0.00 WT1 H ATOM 15535 OH2 TIP3 4891 46.255 30.482 44.746 1.00 0.00 WT1 O ATOM 15536 H1 TIP3 4891 46.505 30.859 43.903 1.00 0.00 WT1 H ATOM 15537 H2 TIP3 4891 47.007 29.949 45.004 1.00 0.00 WT1 H ATOM 15538 OH2 TIP3 4893 70.715 64.453 -10.637 1.00 0.00 WT1 O ATOM 15539 H1 TIP3 4893 71.309 64.520 -9.889 1.00 0.00 WT1 H ATOM 15540 H2 TIP3 4893 69.844 64.385 -10.247 1.00 0.00 WT1 H ATOM 15541 OH2 TIP3 4894 66.973 76.260 47.146 1.00 0.00 WT1 O ATOM 15542 H1 TIP3 4894 67.882 76.040 46.942 1.00 0.00 WT1 H ATOM 15543 H2 TIP3 4894 66.468 75.509 46.834 1.00 0.00 WT1 H ATOM 15544 OH2 TIP3 4895 48.754 32.743 55.267 1.00 0.00 WT1 O ATOM 15545 H1 TIP3 4895 47.965 33.247 55.066 1.00 0.00 WT1 H ATOM 15546 H2 TIP3 4895 49.445 33.165 54.757 1.00 0.00 WT1 H ATOM 15547 OH2 TIP3 4896 57.593 4.706 -9.616 1.00 0.00 WT1 O ATOM 15548 H1 TIP3 4896 58.358 4.810 -10.182 1.00 0.00 WT1 H ATOM 15549 H2 TIP3 4896 57.433 3.763 -9.600 1.00 0.00 WT1 H ATOM 15550 OH2 TIP3 4897 75.680 6.218 44.032 1.00 0.00 WT1 O ATOM 15551 H1 TIP3 4897 76.495 6.682 43.838 1.00 0.00 WT1 H ATOM 15552 H2 TIP3 4897 75.950 5.474 44.570 1.00 0.00 WT1 H ATOM 15553 OH2 TIP3 4898 32.636 47.710 55.053 1.00 0.00 WT1 O ATOM 15554 H1 TIP3 4898 33.082 48.141 55.782 1.00 0.00 WT1 H ATOM 15555 H2 TIP3 4898 32.770 48.296 54.308 1.00 0.00 WT1 H ATOM 15556 OH2 TIP3 4899 29.441 31.459 42.988 1.00 0.00 WT1 O ATOM 15557 H1 TIP3 4899 28.951 31.829 43.723 1.00 0.00 WT1 H ATOM 15558 H2 TIP3 4899 30.341 31.753 43.127 1.00 0.00 WT1 H ATOM 15559 OH2 TIP3 4900 48.385 68.971 5.185 1.00 0.00 WT1 O ATOM 15560 H1 TIP3 4900 49.115 68.371 5.032 1.00 0.00 WT1 H ATOM 15561 H2 TIP3 4900 48.396 69.127 6.129 1.00 0.00 WT1 H ATOM 15562 OH2 TIP3 4901 46.848 64.312 61.290 1.00 0.00 WT1 O ATOM 15563 H1 TIP3 4901 46.777 64.088 62.218 1.00 0.00 WT1 H ATOM 15564 H2 TIP3 4901 47.778 64.207 61.088 1.00 0.00 WT1 H ATOM 15565 OH2 TIP3 4902 77.191 55.968 12.876 1.00 0.00 WT1 O ATOM 15566 H1 TIP3 4902 77.220 56.693 13.500 1.00 0.00 WT1 H ATOM 15567 H2 TIP3 4902 76.729 56.323 12.117 1.00 0.00 WT1 H ATOM 15568 OH2 TIP3 4903 40.578 0.779 13.744 1.00 0.00 WT1 O ATOM 15569 H1 TIP3 4903 40.628 0.387 14.616 1.00 0.00 WT1 H ATOM 15570 H2 TIP3 4903 40.315 1.686 13.904 1.00 0.00 WT1 H ATOM 15571 OH2 TIP3 4904 35.355 73.632 5.010 1.00 0.00 WT1 O ATOM 15572 H1 TIP3 4904 34.989 73.003 5.631 1.00 0.00 WT1 H ATOM 15573 H2 TIP3 4904 34.803 73.550 4.232 1.00 0.00 WT1 H ATOM 15574 OH2 TIP3 4906 43.822 67.138 36.172 1.00 0.00 WT1 O ATOM 15575 H1 TIP3 4906 43.527 67.973 36.535 1.00 0.00 WT1 H ATOM 15576 H2 TIP3 4906 44.770 67.234 36.087 1.00 0.00 WT1 H ATOM 15577 OH2 TIP3 4908 54.075 12.762 -12.143 1.00 0.00 WT1 O ATOM 15578 H1 TIP3 4908 53.243 12.350 -11.911 1.00 0.00 WT1 H ATOM 15579 H2 TIP3 4908 54.476 12.157 -12.767 1.00 0.00 WT1 H ATOM 15580 OH2 TIP3 4909 78.539 69.363 37.807 1.00 0.00 WT1 O ATOM 15581 H1 TIP3 4909 77.620 69.571 37.637 1.00 0.00 WT1 H ATOM 15582 H2 TIP3 4909 79.001 69.654 37.020 1.00 0.00 WT1 H ATOM 15583 OH2 TIP3 4910 56.126 8.431 3.566 1.00 0.00 WT1 O ATOM 15584 H1 TIP3 4910 56.592 7.712 3.992 1.00 0.00 WT1 H ATOM 15585 H2 TIP3 4910 55.291 8.049 3.294 1.00 0.00 WT1 H ATOM 15586 OH2 TIP3 4911 65.965 27.957 60.568 1.00 0.00 WT1 O ATOM 15587 H1 TIP3 4911 66.363 28.609 61.145 1.00 0.00 WT1 H ATOM 15588 H2 TIP3 4911 65.082 27.835 60.918 1.00 0.00 WT1 H ATOM 15589 OH2 TIP3 4912 55.962 87.793 52.191 1.00 0.00 WT1 O ATOM 15590 H1 TIP3 4912 56.623 87.428 51.602 1.00 0.00 WT1 H ATOM 15591 H2 TIP3 4912 55.399 87.050 52.409 1.00 0.00 WT1 H ATOM 15592 OH2 TIP3 4913 53.970 13.802 -0.067 1.00 0.00 WT1 O ATOM 15593 H1 TIP3 4913 54.157 14.047 -0.973 1.00 0.00 WT1 H ATOM 15594 H2 TIP3 4913 54.567 13.075 0.113 1.00 0.00 WT1 H ATOM 15595 OH2 TIP3 4914 64.056 14.312 -17.191 1.00 0.00 WT1 O ATOM 15596 H1 TIP3 4914 64.290 15.124 -17.642 1.00 0.00 WT1 H ATOM 15597 H2 TIP3 4914 64.589 14.318 -16.396 1.00 0.00 WT1 H ATOM 15598 OH2 TIP3 4915 69.639 26.907 -12.648 1.00 0.00 WT1 O ATOM 15599 H1 TIP3 4915 69.572 25.952 -12.614 1.00 0.00 WT1 H ATOM 15600 H2 TIP3 4915 69.217 27.206 -11.843 1.00 0.00 WT1 H ATOM 15601 OH2 TIP3 4916 51.150 35.961 20.993 1.00 0.00 WT1 O ATOM 15602 H1 TIP3 4916 51.981 35.487 21.039 1.00 0.00 WT1 H ATOM 15603 H2 TIP3 4916 51.395 36.883 21.075 1.00 0.00 WT1 H ATOM 15604 OH2 TIP3 4917 45.758 82.170 6.807 1.00 0.00 WT1 O ATOM 15605 H1 TIP3 4917 46.471 81.557 6.987 1.00 0.00 WT1 H ATOM 15606 H2 TIP3 4917 45.930 82.483 5.919 1.00 0.00 WT1 H ATOM 15607 OH2 TIP3 4918 34.718 19.408 13.811 1.00 0.00 WT1 O ATOM 15608 H1 TIP3 4918 35.653 19.599 13.897 1.00 0.00 WT1 H ATOM 15609 H2 TIP3 4918 34.315 19.839 14.565 1.00 0.00 WT1 H ATOM 15610 OH2 TIP3 4919 86.882 89.218 -16.248 1.00 0.00 WT1 O ATOM 15611 H1 TIP3 4919 87.802 89.060 -16.462 1.00 0.00 WT1 H ATOM 15612 H2 TIP3 4919 86.644 88.494 -15.669 1.00 0.00 WT1 H ATOM 15613 OH2 TIP3 4920 80.448 44.877 11.243 1.00 0.00 WT1 O ATOM 15614 H1 TIP3 4920 80.437 44.678 10.307 1.00 0.00 WT1 H ATOM 15615 H2 TIP3 4920 81.122 44.299 11.603 1.00 0.00 WT1 H ATOM 15616 OH2 TIP3 4922 89.503 24.129 0.933 1.00 0.00 WT1 O ATOM 15617 H1 TIP3 4922 90.243 23.989 1.524 1.00 0.00 WT1 H ATOM 15618 H2 TIP3 4922 89.898 24.471 0.131 1.00 0.00 WT1 H ATOM 15619 OH2 TIP3 4924 72.828 86.997 1.108 1.00 0.00 WT1 O ATOM 15620 H1 TIP3 4924 72.188 87.477 0.583 1.00 0.00 WT1 H ATOM 15621 H2 TIP3 4924 72.978 87.554 1.872 1.00 0.00 WT1 H ATOM 15622 OH2 TIP3 4925 70.447 3.224 43.427 1.00 0.00 WT1 O ATOM 15623 H1 TIP3 4925 70.152 4.070 43.089 1.00 0.00 WT1 H ATOM 15624 H2 TIP3 4925 70.079 3.177 44.310 1.00 0.00 WT1 H ATOM 15625 OH2 TIP3 4926 58.644 33.539 -3.233 1.00 0.00 WT1 O ATOM 15626 H1 TIP3 4926 57.812 33.588 -2.763 1.00 0.00 WT1 H ATOM 15627 H2 TIP3 4926 59.279 33.269 -2.569 1.00 0.00 WT1 H ATOM 15628 OH2 TIP3 4927 39.352 8.298 -6.334 1.00 0.00 WT1 O ATOM 15629 H1 TIP3 4927 38.460 8.494 -6.049 1.00 0.00 WT1 H ATOM 15630 H2 TIP3 4927 39.836 9.110 -6.187 1.00 0.00 WT1 H ATOM 15631 OH2 TIP3 4928 86.102 53.332 23.919 1.00 0.00 WT1 O ATOM 15632 H1 TIP3 4928 85.551 52.571 23.736 1.00 0.00 WT1 H ATOM 15633 H2 TIP3 4928 85.532 54.084 23.760 1.00 0.00 WT1 H ATOM 15634 OH2 TIP3 4929 63.754 40.321 22.888 1.00 0.00 WT1 O ATOM 15635 H1 TIP3 4929 63.279 40.260 23.717 1.00 0.00 WT1 H ATOM 15636 H2 TIP3 4929 63.390 41.095 22.459 1.00 0.00 WT1 H ATOM 15637 OH2 TIP3 4930 40.195 91.571 -1.238 1.00 0.00 WT1 O ATOM 15638 H1 TIP3 4930 40.648 90.792 -0.915 1.00 0.00 WT1 H ATOM 15639 H2 TIP3 4930 39.758 91.932 -0.467 1.00 0.00 WT1 H ATOM 15640 OH2 TIP3 4931 86.675 27.245 53.557 1.00 0.00 WT1 O ATOM 15641 H1 TIP3 4931 86.354 26.699 52.839 1.00 0.00 WT1 H ATOM 15642 H2 TIP3 4931 87.621 27.098 53.566 1.00 0.00 WT1 H ATOM 15643 OH2 TIP3 4932 34.040 50.248 46.457 1.00 0.00 WT1 O ATOM 15644 H1 TIP3 4932 34.608 49.582 46.844 1.00 0.00 WT1 H ATOM 15645 H2 TIP3 4932 34.025 50.955 47.101 1.00 0.00 WT1 H ATOM 15646 OH2 TIP3 4934 81.426 72.137 0.944 1.00 0.00 WT1 O ATOM 15647 H1 TIP3 4934 81.352 71.189 0.833 1.00 0.00 WT1 H ATOM 15648 H2 TIP3 4934 80.594 72.482 0.620 1.00 0.00 WT1 H ATOM 15649 OH2 TIP3 4935 43.921 46.073 0.297 1.00 0.00 WT1 O ATOM 15650 H1 TIP3 4935 44.628 45.887 -0.322 1.00 0.00 WT1 H ATOM 15651 H2 TIP3 4935 43.868 47.028 0.320 1.00 0.00 WT1 H ATOM 15652 OH2 TIP3 4936 85.843 23.939 -7.466 1.00 0.00 WT1 O ATOM 15653 H1 TIP3 4936 85.581 24.167 -6.574 1.00 0.00 WT1 H ATOM 15654 H2 TIP3 4936 86.711 24.329 -7.568 1.00 0.00 WT1 H ATOM 15655 OH2 TIP3 4937 37.682 51.344 65.170 1.00 0.00 WT1 O ATOM 15656 H1 TIP3 4937 36.904 51.528 64.643 1.00 0.00 WT1 H ATOM 15657 H2 TIP3 4937 38.340 51.059 64.536 1.00 0.00 WT1 H ATOM 15658 OH2 TIP3 4938 77.895 92.536 55.064 1.00 0.00 WT1 O ATOM 15659 H1 TIP3 4938 77.695 93.144 55.775 1.00 0.00 WT1 H ATOM 15660 H2 TIP3 4938 78.812 92.710 54.850 1.00 0.00 WT1 H ATOM 15661 OH2 TIP3 4939 71.092 13.888 -3.752 1.00 0.00 WT1 O ATOM 15662 H1 TIP3 4939 71.432 13.650 -2.890 1.00 0.00 WT1 H ATOM 15663 H2 TIP3 4939 70.597 14.694 -3.600 1.00 0.00 WT1 H ATOM 15664 OH2 TIP3 4940 60.170 71.041 34.957 1.00 0.00 WT1 O ATOM 15665 H1 TIP3 4940 60.329 71.013 34.014 1.00 0.00 WT1 H ATOM 15666 H2 TIP3 4940 59.383 70.512 35.084 1.00 0.00 WT1 H ATOM 15667 OH2 TIP3 4941 86.877 25.836 49.409 1.00 0.00 WT1 O ATOM 15668 H1 TIP3 4941 86.471 25.968 50.266 1.00 0.00 WT1 H ATOM 15669 H2 TIP3 4941 87.433 25.065 49.524 1.00 0.00 WT1 H ATOM 15670 OH2 TIP3 4942 79.665 30.179 17.929 1.00 0.00 WT1 O ATOM 15671 H1 TIP3 4942 80.098 30.573 18.687 1.00 0.00 WT1 H ATOM 15672 H2 TIP3 4942 78.834 29.851 18.272 1.00 0.00 WT1 H ATOM 15673 OH2 TIP3 4943 23.048 66.089 67.120 1.00 0.00 WT1 O ATOM 15674 H1 TIP3 4943 23.965 65.915 67.331 1.00 0.00 WT1 H ATOM 15675 H2 TIP3 4943 22.960 67.039 67.193 1.00 0.00 WT1 H ATOM 15676 OH2 TIP3 4947 57.997 96.302 26.883 1.00 0.00 WT1 O ATOM 15677 H1 TIP3 4947 58.254 96.300 25.961 1.00 0.00 WT1 H ATOM 15678 H2 TIP3 4947 57.801 95.386 27.080 1.00 0.00 WT1 H ATOM 15679 OH2 TIP3 4948 43.327 27.275 27.463 1.00 0.00 WT1 O ATOM 15680 H1 TIP3 4948 43.001 27.295 28.363 1.00 0.00 WT1 H ATOM 15681 H2 TIP3 4948 42.728 26.686 27.004 1.00 0.00 WT1 H ATOM 15682 OH2 TIP3 4949 79.296 10.669 40.281 1.00 0.00 WT1 O ATOM 15683 H1 TIP3 4949 79.676 10.412 41.121 1.00 0.00 WT1 H ATOM 15684 H2 TIP3 4949 79.906 11.319 39.931 1.00 0.00 WT1 H ATOM 15685 OH2 TIP3 4950 84.427 62.783 47.500 1.00 0.00 WT1 O ATOM 15686 H1 TIP3 4950 84.603 63.706 47.317 1.00 0.00 WT1 H ATOM 15687 H2 TIP3 4950 84.189 62.411 46.650 1.00 0.00 WT1 H ATOM 15688 OH2 TIP3 4951 64.655 53.678 6.891 1.00 0.00 WT1 O ATOM 15689 H1 TIP3 4951 64.123 53.205 7.531 1.00 0.00 WT1 H ATOM 15690 H2 TIP3 4951 64.427 54.598 7.023 1.00 0.00 WT1 H ATOM 15691 OH2 TIP3 4952 57.205 64.931 -6.765 1.00 0.00 WT1 O ATOM 15692 H1 TIP3 4952 56.910 64.639 -5.903 1.00 0.00 WT1 H ATOM 15693 H2 TIP3 4952 58.107 64.618 -6.829 1.00 0.00 WT1 H ATOM 15694 OH2 TIP3 4953 86.919 75.262 -2.019 1.00 0.00 WT1 O ATOM 15695 H1 TIP3 4953 86.988 75.270 -1.065 1.00 0.00 WT1 H ATOM 15696 H2 TIP3 4953 86.869 74.334 -2.249 1.00 0.00 WT1 H ATOM 15697 OH2 TIP3 4954 31.254 52.047 3.213 1.00 0.00 WT1 O ATOM 15698 H1 TIP3 4954 30.349 52.038 3.524 1.00 0.00 WT1 H ATOM 15699 H2 TIP3 4954 31.781 52.143 4.007 1.00 0.00 WT1 H ATOM 15700 OH2 TIP3 4955 41.610 82.136 -18.816 1.00 0.00 WT1 O ATOM 15701 H1 TIP3 4955 41.863 82.936 -19.277 1.00 0.00 WT1 H ATOM 15702 H2 TIP3 4955 41.472 82.414 -17.911 1.00 0.00 WT1 H ATOM 15703 OH2 TIP3 4956 84.179 32.324 -14.612 1.00 0.00 WT1 O ATOM 15704 H1 TIP3 4956 83.613 33.080 -14.768 1.00 0.00 WT1 H ATOM 15705 H2 TIP3 4956 83.677 31.767 -14.017 1.00 0.00 WT1 H ATOM 15706 OH2 TIP3 4957 89.168 48.522 -10.720 1.00 0.00 WT1 O ATOM 15707 H1 TIP3 4957 88.474 48.573 -10.063 1.00 0.00 WT1 H ATOM 15708 H2 TIP3 4957 89.422 47.599 -10.730 1.00 0.00 WT1 H ATOM 15709 OH2 TIP3 4958 49.032 81.860 51.768 1.00 0.00 WT1 O ATOM 15710 H1 TIP3 4958 48.139 82.029 52.069 1.00 0.00 WT1 H ATOM 15711 H2 TIP3 4958 48.937 81.175 51.107 1.00 0.00 WT1 H ATOM 15712 OH2 TIP3 4959 58.049 7.122 1.111 1.00 0.00 WT1 O ATOM 15713 H1 TIP3 4959 58.445 6.875 1.946 1.00 0.00 WT1 H ATOM 15714 H2 TIP3 4959 58.784 7.162 0.499 1.00 0.00 WT1 H ATOM 15715 OH2 TIP3 4960 47.173 63.204 -16.165 1.00 0.00 WT1 O ATOM 15716 H1 TIP3 4960 47.325 63.751 -16.936 1.00 0.00 WT1 H ATOM 15717 H2 TIP3 4960 46.221 63.116 -16.117 1.00 0.00 WT1 H ATOM 15718 OH2 TIP3 4962 32.488 9.056 -4.611 1.00 0.00 WT1 O ATOM 15719 H1 TIP3 4962 31.953 9.451 -5.300 1.00 0.00 WT1 H ATOM 15720 H2 TIP3 4962 31.853 8.688 -3.996 1.00 0.00 WT1 H ATOM 15721 OH2 TIP3 4963 62.076 2.712 8.473 1.00 0.00 WT1 O ATOM 15722 H1 TIP3 4963 61.627 2.576 9.308 1.00 0.00 WT1 H ATOM 15723 H2 TIP3 4963 62.328 3.635 8.484 1.00 0.00 WT1 H ATOM 15724 OH2 TIP3 4964 55.913 25.321 13.053 1.00 0.00 WT1 O ATOM 15725 H1 TIP3 4964 55.836 26.273 12.982 1.00 0.00 WT1 H ATOM 15726 H2 TIP3 4964 56.401 25.180 13.864 1.00 0.00 WT1 H ATOM 15727 OH2 TIP3 4965 29.580 18.381 25.156 1.00 0.00 WT1 O ATOM 15728 H1 TIP3 4965 30.352 18.875 24.881 1.00 0.00 WT1 H ATOM 15729 H2 TIP3 4965 29.463 18.611 26.078 1.00 0.00 WT1 H ATOM 15730 OH2 TIP3 4966 50.079 22.224 56.464 1.00 0.00 WT1 O ATOM 15731 H1 TIP3 4966 50.831 22.145 55.877 1.00 0.00 WT1 H ATOM 15732 H2 TIP3 4966 50.463 22.375 57.327 1.00 0.00 WT1 H ATOM 15733 OH2 TIP3 4967 41.927 81.686 1.961 1.00 0.00 WT1 O ATOM 15734 H1 TIP3 4967 42.581 81.008 2.129 1.00 0.00 WT1 H ATOM 15735 H2 TIP3 4967 42.340 82.265 1.320 1.00 0.00 WT1 H ATOM 15736 OH2 TIP3 4968 31.395 84.115 -4.218 1.00 0.00 WT1 O ATOM 15737 H1 TIP3 4968 32.332 84.199 -4.039 1.00 0.00 WT1 H ATOM 15738 H2 TIP3 4968 31.010 84.915 -3.860 1.00 0.00 WT1 H ATOM 15739 OH2 TIP3 4970 67.530 88.673 32.452 1.00 0.00 WT1 O ATOM 15740 H1 TIP3 4970 66.807 88.080 32.657 1.00 0.00 WT1 H ATOM 15741 H2 TIP3 4970 67.855 88.960 33.305 1.00 0.00 WT1 H ATOM 15742 OH2 TIP3 4971 38.709 53.812 5.231 1.00 0.00 WT1 O ATOM 15743 H1 TIP3 4971 39.604 53.535 5.426 1.00 0.00 WT1 H ATOM 15744 H2 TIP3 4971 38.246 53.732 6.065 1.00 0.00 WT1 H ATOM 15745 OH2 TIP3 4973 45.224 31.226 -17.162 1.00 0.00 WT1 O ATOM 15746 H1 TIP3 4973 45.991 31.447 -16.633 1.00 0.00 WT1 H ATOM 15747 H2 TIP3 4973 44.623 31.959 -17.031 1.00 0.00 WT1 H ATOM 15748 OH2 TIP3 4974 28.312 35.337 43.158 1.00 0.00 WT1 O ATOM 15749 H1 TIP3 4974 29.194 34.967 43.187 1.00 0.00 WT1 H ATOM 15750 H2 TIP3 4974 28.324 36.039 43.809 1.00 0.00 WT1 H ATOM 15751 OH2 TIP3 4975 32.200 44.791 46.363 1.00 0.00 WT1 O ATOM 15752 H1 TIP3 4975 32.307 44.860 47.312 1.00 0.00 WT1 H ATOM 15753 H2 TIP3 4975 32.610 43.957 46.135 1.00 0.00 WT1 H ATOM 15754 OH2 TIP3 4976 53.236 11.463 56.256 1.00 0.00 WT1 O ATOM 15755 H1 TIP3 4976 53.905 11.147 55.649 1.00 0.00 WT1 H ATOM 15756 H2 TIP3 4976 52.763 10.675 56.523 1.00 0.00 WT1 H ATOM 15757 OH2 TIP3 4977 71.410 91.889 53.480 1.00 0.00 WT1 O ATOM 15758 H1 TIP3 4977 71.243 90.994 53.776 1.00 0.00 WT1 H ATOM 15759 H2 TIP3 4977 72.364 91.953 53.437 1.00 0.00 WT1 H ATOM 15760 OH2 TIP3 4978 70.926 28.569 12.440 1.00 0.00 WT1 O ATOM 15761 H1 TIP3 4978 71.679 28.699 11.864 1.00 0.00 WT1 H ATOM 15762 H2 TIP3 4978 70.215 29.051 12.019 1.00 0.00 WT1 H ATOM 15763 OH2 TIP3 4979 52.874 53.128 -7.481 1.00 0.00 WT1 O ATOM 15764 H1 TIP3 4979 52.042 52.758 -7.186 1.00 0.00 WT1 H ATOM 15765 H2 TIP3 4979 53.336 53.355 -6.673 1.00 0.00 WT1 H ATOM 15766 OH2 TIP3 4980 50.655 37.784 -12.110 1.00 0.00 WT1 O ATOM 15767 H1 TIP3 4980 50.675 37.325 -11.270 1.00 0.00 WT1 H ATOM 15768 H2 TIP3 4980 49.919 37.391 -12.580 1.00 0.00 WT1 H ATOM 15769 OH2 TIP3 4981 27.779 44.274 -19.764 1.00 0.00 WT1 O ATOM 15770 H1 TIP3 4981 28.225 43.611 -20.291 1.00 0.00 WT1 H ATOM 15771 H2 TIP3 4981 27.211 43.773 -19.178 1.00 0.00 WT1 H ATOM 15772 OH2 TIP3 4982 80.676 4.751 -3.639 1.00 0.00 WT1 O ATOM 15773 H1 TIP3 4982 79.805 5.051 -3.901 1.00 0.00 WT1 H ATOM 15774 H2 TIP3 4982 80.647 4.737 -2.683 1.00 0.00 WT1 H ATOM 15775 OH2 TIP3 4983 35.911 5.716 56.850 1.00 0.00 WT1 O ATOM 15776 H1 TIP3 4983 36.074 4.781 56.973 1.00 0.00 WT1 H ATOM 15777 H2 TIP3 4983 36.299 6.131 57.621 1.00 0.00 WT1 H ATOM 15778 OH2 TIP3 4984 56.067 8.630 34.697 1.00 0.00 WT1 O ATOM 15779 H1 TIP3 4984 55.987 7.725 34.998 1.00 0.00 WT1 H ATOM 15780 H2 TIP3 4984 56.930 8.909 35.004 1.00 0.00 WT1 H ATOM 15781 OH2 TIP3 4985 85.577 75.309 27.412 1.00 0.00 WT1 O ATOM 15782 H1 TIP3 4985 84.966 74.927 28.042 1.00 0.00 WT1 H ATOM 15783 H2 TIP3 4985 85.205 75.095 26.556 1.00 0.00 WT1 H ATOM 15784 OH2 TIP3 4986 49.324 36.661 5.502 1.00 0.00 WT1 O ATOM 15785 H1 TIP3 4986 49.803 37.488 5.442 1.00 0.00 WT1 H ATOM 15786 H2 TIP3 4986 49.742 36.194 6.225 1.00 0.00 WT1 H ATOM 15787 OH2 TIP3 4988 27.841 70.835 62.040 1.00 0.00 WT1 O ATOM 15788 H1 TIP3 4988 28.521 70.168 61.947 1.00 0.00 WT1 H ATOM 15789 H2 TIP3 4988 28.298 71.665 61.906 1.00 0.00 WT1 H ATOM 15790 OH2 TIP3 4991 72.648 12.425 -1.494 1.00 0.00 WT1 O ATOM 15791 H1 TIP3 4991 73.320 12.470 -2.174 1.00 0.00 WT1 H ATOM 15792 H2 TIP3 4991 72.875 13.128 -0.886 1.00 0.00 WT1 H ATOM 15793 OH2 TIP3 4992 81.942 70.154 -15.009 1.00 0.00 WT1 O ATOM 15794 H1 TIP3 4992 82.027 69.445 -14.371 1.00 0.00 WT1 H ATOM 15795 H2 TIP3 4992 82.367 70.903 -14.592 1.00 0.00 WT1 H ATOM 15796 OH2 TIP3 4993 49.914 10.291 12.609 1.00 0.00 WT1 O ATOM 15797 H1 TIP3 4993 50.759 9.983 12.937 1.00 0.00 WT1 H ATOM 15798 H2 TIP3 4993 49.441 10.574 13.392 1.00 0.00 WT1 H ATOM 15799 OH2 TIP3 4994 46.834 4.557 36.053 1.00 0.00 WT1 O ATOM 15800 H1 TIP3 4994 47.684 4.358 36.447 1.00 0.00 WT1 H ATOM 15801 H2 TIP3 4994 46.845 4.093 35.215 1.00 0.00 WT1 H ATOM 15802 OH2 TIP3 4995 52.785 45.351 66.891 1.00 0.00 WT1 O ATOM 15803 H1 TIP3 4995 53.510 45.014 67.417 1.00 0.00 WT1 H ATOM 15804 H2 TIP3 4995 52.741 46.282 67.111 1.00 0.00 WT1 H ATOM 15805 OH2 TIP3 4996 62.304 79.042 51.578 1.00 0.00 WT1 O ATOM 15806 H1 TIP3 4996 62.966 78.812 50.927 1.00 0.00 WT1 H ATOM 15807 H2 TIP3 4996 61.564 78.466 51.382 1.00 0.00 WT1 H ATOM 15808 OH2 TIP3 4997 83.256 25.822 37.919 1.00 0.00 WT1 O ATOM 15809 H1 TIP3 4997 83.332 25.375 37.076 1.00 0.00 WT1 H ATOM 15810 H2 TIP3 4997 84.160 25.933 38.214 1.00 0.00 WT1 H ATOM 15811 OH2 TIP3 4998 75.843 35.609 -13.236 1.00 0.00 WT1 O ATOM 15812 H1 TIP3 4998 76.464 35.539 -12.510 1.00 0.00 WT1 H ATOM 15813 H2 TIP3 4998 76.393 35.652 -14.019 1.00 0.00 WT1 H ATOM 15814 OH2 TIP3 4999 56.705 88.756 10.792 1.00 0.00 WT1 O ATOM 15815 H1 TIP3 4999 56.803 89.033 11.703 1.00 0.00 WT1 H ATOM 15816 H2 TIP3 4999 56.566 89.570 10.308 1.00 0.00 WT1 H ATOM 15817 OH2 TIP3 5000 25.086 1.232 3.365 1.00 0.00 WT1 O ATOM 15818 H1 TIP3 5000 24.788 0.625 2.687 1.00 0.00 WT1 H ATOM 15819 H2 TIP3 5000 26.040 1.221 3.294 1.00 0.00 WT1 H ATOM 15820 OH2 TIP3 5001 63.414 3.689 -18.878 1.00 0.00 WT1 O ATOM 15821 H1 TIP3 5001 64.203 4.123 -19.201 1.00 0.00 WT1 H ATOM 15822 H2 TIP3 5001 62.739 3.911 -19.520 1.00 0.00 WT1 H ATOM 15823 OH2 TIP3 5002 87.882 28.678 1.823 1.00 0.00 WT1 O ATOM 15824 H1 TIP3 5002 86.974 28.473 1.598 1.00 0.00 WT1 H ATOM 15825 H2 TIP3 5002 87.989 28.347 2.714 1.00 0.00 WT1 H ATOM 15826 OH2 TIP3 5003 73.165 4.382 53.252 1.00 0.00 WT1 O ATOM 15827 H1 TIP3 5003 73.875 4.127 53.842 1.00 0.00 WT1 H ATOM 15828 H2 TIP3 5003 73.158 3.702 52.578 1.00 0.00 WT1 H ATOM 15829 OH2 TIP3 5004 57.717 30.801 13.335 1.00 0.00 WT1 O ATOM 15830 H1 TIP3 5004 56.775 30.975 13.326 1.00 0.00 WT1 H ATOM 15831 H2 TIP3 5004 57.794 29.885 13.067 1.00 0.00 WT1 H ATOM 15832 OH2 TIP3 5005 58.707 90.118 54.944 1.00 0.00 WT1 O ATOM 15833 H1 TIP3 5005 59.250 90.123 54.156 1.00 0.00 WT1 H ATOM 15834 H2 TIP3 5005 57.927 90.617 54.701 1.00 0.00 WT1 H ATOM 15835 OH2 TIP3 5007 45.855 31.653 0.241 1.00 0.00 WT1 O ATOM 15836 H1 TIP3 5007 45.767 32.154 1.052 1.00 0.00 WT1 H ATOM 15837 H2 TIP3 5007 45.059 31.855 -0.252 1.00 0.00 WT1 H ATOM 15838 OH2 TIP3 5008 58.006 36.162 -4.512 1.00 0.00 WT1 O ATOM 15839 H1 TIP3 5008 58.146 36.902 -3.921 1.00 0.00 WT1 H ATOM 15840 H2 TIP3 5008 57.736 35.445 -3.939 1.00 0.00 WT1 H ATOM 15841 OH2 TIP3 5009 55.212 5.761 65.821 1.00 0.00 WT1 O ATOM 15842 H1 TIP3 5009 54.942 4.961 66.271 1.00 0.00 WT1 H ATOM 15843 H2 TIP3 5009 55.593 6.307 66.509 1.00 0.00 WT1 H ATOM 15844 OH2 TIP3 5010 80.087 32.579 10.128 1.00 0.00 WT1 O ATOM 15845 H1 TIP3 5010 80.991 32.892 10.161 1.00 0.00 WT1 H ATOM 15846 H2 TIP3 5010 80.161 31.656 9.887 1.00 0.00 WT1 H ATOM 15847 OH2 TIP3 5011 65.669 6.269 35.271 1.00 0.00 WT1 O ATOM 15848 H1 TIP3 5011 66.119 6.968 35.746 1.00 0.00 WT1 H ATOM 15849 H2 TIP3 5011 65.479 6.647 34.412 1.00 0.00 WT1 H ATOM 15850 OH2 TIP3 5013 60.362 20.547 1.578 1.00 0.00 WT1 O ATOM 15851 H1 TIP3 5013 60.218 19.623 1.780 1.00 0.00 WT1 H ATOM 15852 H2 TIP3 5013 59.795 21.017 2.189 1.00 0.00 WT1 H ATOM 15853 OH2 TIP3 5014 56.167 19.922 11.151 1.00 0.00 WT1 O ATOM 15854 H1 TIP3 5014 55.384 19.608 11.603 1.00 0.00 WT1 H ATOM 15855 H2 TIP3 5014 56.820 19.237 11.299 1.00 0.00 WT1 H ATOM 15856 OH2 TIP3 5015 32.464 93.559 62.451 1.00 0.00 WT1 O ATOM 15857 H1 TIP3 5015 31.778 92.948 62.721 1.00 0.00 WT1 H ATOM 15858 H2 TIP3 5015 32.043 94.418 62.475 1.00 0.00 WT1 H ATOM 15859 OH2 TIP3 5016 57.013 91.034 44.056 1.00 0.00 WT1 O ATOM 15860 H1 TIP3 5016 56.709 91.673 43.412 1.00 0.00 WT1 H ATOM 15861 H2 TIP3 5016 57.351 90.308 43.532 1.00 0.00 WT1 H ATOM 15862 OH2 TIP3 5017 73.467 93.750 27.410 1.00 0.00 WT1 O ATOM 15863 H1 TIP3 5017 72.538 93.830 27.627 1.00 0.00 WT1 H ATOM 15864 H2 TIP3 5017 73.536 94.096 26.520 1.00 0.00 WT1 H ATOM 15865 OH2 TIP3 5018 28.773 88.569 -2.009 1.00 0.00 WT1 O ATOM 15866 H1 TIP3 5018 28.597 87.941 -2.709 1.00 0.00 WT1 H ATOM 15867 H2 TIP3 5018 29.442 88.147 -1.470 1.00 0.00 WT1 H ATOM 15868 OH2 TIP3 5019 24.001 25.001 -18.518 1.00 0.00 WT1 O ATOM 15869 H1 TIP3 5019 24.370 25.549 -19.212 1.00 0.00 WT1 H ATOM 15870 H2 TIP3 5019 24.700 24.935 -17.867 1.00 0.00 WT1 H ATOM 15871 OH2 TIP3 5020 42.120 5.709 45.850 1.00 0.00 WT1 O ATOM 15872 H1 TIP3 5020 42.859 6.224 45.526 1.00 0.00 WT1 H ATOM 15873 H2 TIP3 5020 41.348 6.138 45.481 1.00 0.00 WT1 H ATOM 15874 OH2 TIP3 5021 26.503 7.280 -14.771 1.00 0.00 WT1 O ATOM 15875 H1 TIP3 5021 26.728 7.353 -13.843 1.00 0.00 WT1 H ATOM 15876 H2 TIP3 5021 25.968 6.488 -14.826 1.00 0.00 WT1 H ATOM 15877 OH2 TIP3 5022 20.282 51.248 -1.749 1.00 0.00 WT1 O ATOM 15878 H1 TIP3 5022 19.764 51.059 -0.968 1.00 0.00 WT1 H ATOM 15879 H2 TIP3 5022 21.064 51.690 -1.418 1.00 0.00 WT1 H ATOM 15880 OH2 TIP3 5023 89.425 69.178 -10.627 1.00 0.00 WT1 O ATOM 15881 H1 TIP3 5023 89.263 68.571 -11.349 1.00 0.00 WT1 H ATOM 15882 H2 TIP3 5023 90.298 68.947 -10.310 1.00 0.00 WT1 H ATOM 15883 OH2 TIP3 5024 21.872 66.310 64.314 1.00 0.00 WT1 O ATOM 15884 H1 TIP3 5024 21.450 66.220 65.169 1.00 0.00 WT1 H ATOM 15885 H2 TIP3 5024 21.767 65.452 63.904 1.00 0.00 WT1 H ATOM 15886 OH2 TIP3 5025 42.273 93.648 17.045 1.00 0.00 WT1 O ATOM 15887 H1 TIP3 5025 42.621 94.116 16.286 1.00 0.00 WT1 H ATOM 15888 H2 TIP3 5025 42.555 92.742 16.918 1.00 0.00 WT1 H ATOM 15889 OH2 TIP3 5031 20.131 28.048 31.522 1.00 0.00 WT1 O ATOM 15890 H1 TIP3 5031 21.081 27.937 31.570 1.00 0.00 WT1 H ATOM 15891 H2 TIP3 5031 20.010 28.907 31.119 1.00 0.00 WT1 H ATOM 15892 OH2 TIP3 5033 38.895 28.878 53.163 1.00 0.00 WT1 O ATOM 15893 H1 TIP3 5033 39.037 27.968 52.903 1.00 0.00 WT1 H ATOM 15894 H2 TIP3 5033 39.034 29.381 52.360 1.00 0.00 WT1 H ATOM 15895 OH2 TIP3 5035 59.962 26.732 -14.839 1.00 0.00 WT1 O ATOM 15896 H1 TIP3 5035 60.616 27.336 -15.192 1.00 0.00 WT1 H ATOM 15897 H2 TIP3 5035 59.299 26.667 -15.526 1.00 0.00 WT1 H ATOM 15898 OH2 TIP3 5038 61.782 25.796 23.709 1.00 0.00 WT1 O ATOM 15899 H1 TIP3 5038 60.889 25.890 24.042 1.00 0.00 WT1 H ATOM 15900 H2 TIP3 5038 61.816 26.373 22.946 1.00 0.00 WT1 H ATOM 15901 OH2 TIP3 5039 72.463 47.447 28.591 1.00 0.00 WT1 O ATOM 15902 H1 TIP3 5039 71.853 47.807 27.947 1.00 0.00 WT1 H ATOM 15903 H2 TIP3 5039 71.979 46.733 29.007 1.00 0.00 WT1 H ATOM 15904 OH2 TIP3 5040 78.984 41.966 -15.629 1.00 0.00 WT1 O ATOM 15905 H1 TIP3 5040 78.585 42.553 -16.271 1.00 0.00 WT1 H ATOM 15906 H2 TIP3 5040 78.828 42.391 -14.786 1.00 0.00 WT1 H ATOM 15907 OH2 TIP3 5041 80.317 93.979 38.227 1.00 0.00 WT1 O ATOM 15908 H1 TIP3 5041 81.230 94.009 37.942 1.00 0.00 WT1 H ATOM 15909 H2 TIP3 5041 79.866 93.496 37.535 1.00 0.00 WT1 H ATOM 15910 OH2 TIP3 5043 45.197 38.319 41.684 1.00 0.00 WT1 O ATOM 15911 H1 TIP3 5043 44.280 38.045 41.716 1.00 0.00 WT1 H ATOM 15912 H2 TIP3 5043 45.475 38.122 40.790 1.00 0.00 WT1 H ATOM 15913 OH2 TIP3 5044 25.363 14.098 44.243 1.00 0.00 WT1 O ATOM 15914 H1 TIP3 5044 25.983 14.827 44.208 1.00 0.00 WT1 H ATOM 15915 H2 TIP3 5044 25.142 14.015 45.170 1.00 0.00 WT1 H ATOM 15916 OH2 TIP3 5045 49.180 47.329 -6.451 1.00 0.00 WT1 O ATOM 15917 H1 TIP3 5045 49.523 48.221 -6.387 1.00 0.00 WT1 H ATOM 15918 H2 TIP3 5045 48.277 47.397 -6.143 1.00 0.00 WT1 H ATOM 15919 OH2 TIP3 5046 62.232 29.004 6.188 1.00 0.00 WT1 O ATOM 15920 H1 TIP3 5046 62.094 28.247 6.757 1.00 0.00 WT1 H ATOM 15921 H2 TIP3 5046 61.498 28.979 5.574 1.00 0.00 WT1 H ATOM 15922 OH2 TIP3 5047 59.196 14.300 24.114 1.00 0.00 WT1 O ATOM 15923 H1 TIP3 5047 59.954 13.822 23.779 1.00 0.00 WT1 H ATOM 15924 H2 TIP3 5047 59.553 15.136 24.414 1.00 0.00 WT1 H ATOM 15925 OH2 TIP3 5048 69.438 78.548 58.246 1.00 0.00 WT1 O ATOM 15926 H1 TIP3 5048 69.326 78.061 59.062 1.00 0.00 WT1 H ATOM 15927 H2 TIP3 5048 69.912 77.947 57.671 1.00 0.00 WT1 H ATOM 15928 OH2 TIP3 5049 52.302 8.656 16.087 1.00 0.00 WT1 O ATOM 15929 H1 TIP3 5049 52.312 9.609 16.175 1.00 0.00 WT1 H ATOM 15930 H2 TIP3 5049 52.497 8.498 15.163 1.00 0.00 WT1 H ATOM 15931 OH2 TIP3 5050 62.856 5.658 20.699 1.00 0.00 WT1 O ATOM 15932 H1 TIP3 5050 62.387 5.453 21.508 1.00 0.00 WT1 H ATOM 15933 H2 TIP3 5050 62.336 5.244 20.009 1.00 0.00 WT1 H ATOM 15934 OH2 TIP3 5051 62.642 59.755 41.939 1.00 0.00 WT1 O ATOM 15935 H1 TIP3 5051 61.760 60.067 42.141 1.00 0.00 WT1 H ATOM 15936 H2 TIP3 5051 62.503 58.963 41.419 1.00 0.00 WT1 H ATOM 15937 OH2 TIP3 5055 25.364 58.056 34.929 1.00 0.00 WT1 O ATOM 15938 H1 TIP3 5055 25.557 58.429 34.069 1.00 0.00 WT1 H ATOM 15939 H2 TIP3 5055 25.181 57.133 34.755 1.00 0.00 WT1 H ATOM 15940 OH2 TIP3 5056 32.947 52.500 5.457 1.00 0.00 WT1 O ATOM 15941 H1 TIP3 5056 32.797 53.430 5.629 1.00 0.00 WT1 H ATOM 15942 H2 TIP3 5056 32.456 52.047 6.143 1.00 0.00 WT1 H ATOM 15943 OH2 TIP3 5057 66.670 28.721 24.198 1.00 0.00 WT1 O ATOM 15944 H1 TIP3 5057 66.534 27.778 24.294 1.00 0.00 WT1 H ATOM 15945 H2 TIP3 5057 67.442 28.796 23.637 1.00 0.00 WT1 H ATOM 15946 OH2 TIP3 5058 68.987 9.493 59.341 1.00 0.00 WT1 O ATOM 15947 H1 TIP3 5058 68.316 10.167 59.233 1.00 0.00 WT1 H ATOM 15948 H2 TIP3 5058 69.387 9.686 60.189 1.00 0.00 WT1 H ATOM 15949 OH2 TIP3 5059 73.751 23.312 32.111 1.00 0.00 WT1 O ATOM 15950 H1 TIP3 5059 73.042 23.942 32.239 1.00 0.00 WT1 H ATOM 15951 H2 TIP3 5059 73.905 22.944 32.981 1.00 0.00 WT1 H ATOM 15952 OH2 TIP3 5060 82.430 83.789 -14.017 1.00 0.00 WT1 O ATOM 15953 H1 TIP3 5060 82.045 84.016 -13.170 1.00 0.00 WT1 H ATOM 15954 H2 TIP3 5060 82.976 83.024 -13.835 1.00 0.00 WT1 H ATOM 15955 OH2 TIP3 5061 76.104 21.321 64.876 1.00 0.00 WT1 O ATOM 15956 H1 TIP3 5061 76.956 21.176 65.287 1.00 0.00 WT1 H ATOM 15957 H2 TIP3 5061 75.495 21.405 65.610 1.00 0.00 WT1 H ATOM 15958 OH2 TIP3 5062 38.880 26.371 26.549 1.00 0.00 WT1 O ATOM 15959 H1 TIP3 5062 38.773 26.019 25.665 1.00 0.00 WT1 H ATOM 15960 H2 TIP3 5062 38.703 25.627 27.126 1.00 0.00 WT1 H ATOM 15961 OH2 TIP3 5063 82.948 44.006 26.854 1.00 0.00 WT1 O ATOM 15962 H1 TIP3 5063 82.557 43.700 27.673 1.00 0.00 WT1 H ATOM 15963 H2 TIP3 5063 82.306 43.777 26.182 1.00 0.00 WT1 H ATOM 15964 OH2 TIP3 5064 56.627 78.415 -13.642 1.00 0.00 WT1 O ATOM 15965 H1 TIP3 5064 56.602 77.611 -14.161 1.00 0.00 WT1 H ATOM 15966 H2 TIP3 5064 56.505 78.121 -12.739 1.00 0.00 WT1 H ATOM 15967 OH2 TIP3 5065 42.821 76.756 16.442 1.00 0.00 WT1 O ATOM 15968 H1 TIP3 5065 42.985 76.636 15.506 1.00 0.00 WT1 H ATOM 15969 H2 TIP3 5065 43.336 76.069 16.866 1.00 0.00 WT1 H ATOM 15970 OH2 TIP3 5066 79.945 19.706 -14.775 1.00 0.00 WT1 O ATOM 15971 H1 TIP3 5066 79.385 19.272 -14.131 1.00 0.00 WT1 H ATOM 15972 H2 TIP3 5066 80.099 19.041 -15.446 1.00 0.00 WT1 H ATOM 15973 OH2 TIP3 5067 52.330 96.136 -18.081 1.00 0.00 WT1 O ATOM 15974 H1 TIP3 5067 52.824 95.322 -17.982 1.00 0.00 WT1 H ATOM 15975 H2 TIP3 5067 52.291 96.502 -17.197 1.00 0.00 WT1 H ATOM 15976 OH2 TIP3 5068 70.881 12.597 10.991 1.00 0.00 WT1 O ATOM 15977 H1 TIP3 5068 71.212 11.706 10.877 1.00 0.00 WT1 H ATOM 15978 H2 TIP3 5068 71.605 13.071 11.400 1.00 0.00 WT1 H ATOM 15979 OH2 TIP3 5069 25.647 3.473 6.381 1.00 0.00 WT1 O ATOM 15980 H1 TIP3 5069 25.167 3.449 7.208 1.00 0.00 WT1 H ATOM 15981 H2 TIP3 5069 25.142 2.912 5.793 1.00 0.00 WT1 H ATOM 15982 OH2 TIP3 5070 30.720 50.572 26.195 1.00 0.00 WT1 O ATOM 15983 H1 TIP3 5070 30.624 51.511 26.356 1.00 0.00 WT1 H ATOM 15984 H2 TIP3 5070 30.473 50.161 27.024 1.00 0.00 WT1 H ATOM 15985 OH2 TIP3 5072 54.421 60.628 52.485 1.00 0.00 WT1 O ATOM 15986 H1 TIP3 5072 55.081 61.321 52.511 1.00 0.00 WT1 H ATOM 15987 H2 TIP3 5072 54.909 59.840 52.248 1.00 0.00 WT1 H ATOM 15988 OH2 TIP3 5073 30.041 18.886 5.456 1.00 0.00 WT1 O ATOM 15989 H1 TIP3 5073 30.857 19.359 5.621 1.00 0.00 WT1 H ATOM 15990 H2 TIP3 5073 29.738 18.622 6.325 1.00 0.00 WT1 H ATOM 15991 OH2 TIP3 5074 44.549 1.200 53.267 1.00 0.00 WT1 O ATOM 15992 H1 TIP3 5074 45.482 1.413 53.292 1.00 0.00 WT1 H ATOM 15993 H2 TIP3 5074 44.487 0.466 52.656 1.00 0.00 WT1 H ATOM 15994 OH2 TIP3 5075 81.522 22.929 -8.248 1.00 0.00 WT1 O ATOM 15995 H1 TIP3 5075 82.474 22.839 -8.302 1.00 0.00 WT1 H ATOM 15996 H2 TIP3 5075 81.215 22.063 -7.980 1.00 0.00 WT1 H ATOM 15997 OH2 TIP3 5076 43.406 83.329 0.168 1.00 0.00 WT1 O ATOM 15998 H1 TIP3 5076 44.337 83.279 0.385 1.00 0.00 WT1 H ATOM 15999 H2 TIP3 5076 43.169 84.240 0.338 1.00 0.00 WT1 H ATOM 16000 OH2 TIP3 5077 73.871 14.756 66.036 1.00 0.00 WT1 O ATOM 16001 H1 TIP3 5077 73.273 15.334 66.510 1.00 0.00 WT1 H ATOM 16002 H2 TIP3 5077 73.862 13.940 66.535 1.00 0.00 WT1 H ATOM 16003 OH2 TIP3 5078 76.904 7.631 -13.249 1.00 0.00 WT1 O ATOM 16004 H1 TIP3 5078 77.826 7.666 -13.504 1.00 0.00 WT1 H ATOM 16005 H2 TIP3 5078 76.900 7.136 -12.430 1.00 0.00 WT1 H ATOM 16006 OH2 TIP3 5080 37.204 52.177 58.292 1.00 0.00 WT1 O ATOM 16007 H1 TIP3 5080 37.934 52.068 57.683 1.00 0.00 WT1 H ATOM 16008 H2 TIP3 5080 36.453 51.795 57.838 1.00 0.00 WT1 H ATOM 16009 OH2 TIP3 5081 90.107 82.078 52.048 1.00 0.00 WT1 O ATOM 16010 H1 TIP3 5081 89.490 81.928 51.332 1.00 0.00 WT1 H ATOM 16011 H2 TIP3 5081 90.158 81.237 52.502 1.00 0.00 WT1 H ATOM 16012 OH2 TIP3 5082 57.001 35.926 36.942 1.00 0.00 WT1 O ATOM 16013 H1 TIP3 5082 56.722 36.282 36.098 1.00 0.00 WT1 H ATOM 16014 H2 TIP3 5082 56.203 35.912 37.471 1.00 0.00 WT1 H ATOM 16015 OH2 TIP3 5084 63.943 34.160 -17.844 1.00 0.00 WT1 O ATOM 16016 H1 TIP3 5084 63.095 34.344 -17.438 1.00 0.00 WT1 H ATOM 16017 H2 TIP3 5084 64.432 33.684 -17.172 1.00 0.00 WT1 H ATOM 16018 OH2 TIP3 5085 77.167 70.634 40.834 1.00 0.00 WT1 O ATOM 16019 H1 TIP3 5085 77.457 71.126 41.602 1.00 0.00 WT1 H ATOM 16020 H2 TIP3 5085 77.842 70.798 40.176 1.00 0.00 WT1 H ATOM 16021 OH2 TIP3 5088 79.257 81.737 -5.611 1.00 0.00 WT1 O ATOM 16022 H1 TIP3 5088 79.336 81.627 -6.558 1.00 0.00 WT1 H ATOM 16023 H2 TIP3 5088 79.482 82.654 -5.456 1.00 0.00 WT1 H ATOM 16024 OH2 TIP3 5090 24.974 56.206 -14.996 1.00 0.00 WT1 O ATOM 16025 H1 TIP3 5090 25.714 56.756 -14.738 1.00 0.00 WT1 H ATOM 16026 H2 TIP3 5090 24.947 55.514 -14.336 1.00 0.00 WT1 H ATOM 16027 OH2 TIP3 5091 87.724 68.486 2.888 1.00 0.00 WT1 O ATOM 16028 H1 TIP3 5091 88.346 67.902 3.322 1.00 0.00 WT1 H ATOM 16029 H2 TIP3 5091 88.126 68.678 2.041 1.00 0.00 WT1 H ATOM 16030 OH2 TIP3 5092 71.007 30.160 15.820 1.00 0.00 WT1 O ATOM 16031 H1 TIP3 5092 70.097 29.952 15.610 1.00 0.00 WT1 H ATOM 16032 H2 TIP3 5092 71.128 29.835 16.712 1.00 0.00 WT1 H ATOM 16033 OH2 TIP3 5093 41.644 92.169 12.024 1.00 0.00 WT1 O ATOM 16034 H1 TIP3 5093 40.770 91.957 11.697 1.00 0.00 WT1 H ATOM 16035 H2 TIP3 5093 41.984 91.339 12.357 1.00 0.00 WT1 H ATOM 16036 OH2 TIP3 5096 66.649 36.741 26.622 1.00 0.00 WT1 O ATOM 16037 H1 TIP3 5096 67.303 37.435 26.710 1.00 0.00 WT1 H ATOM 16038 H2 TIP3 5096 65.810 37.187 26.742 1.00 0.00 WT1 H ATOM 16039 OH2 TIP3 5097 29.877 51.798 0.219 1.00 0.00 WT1 O ATOM 16040 H1 TIP3 5097 30.527 51.188 -0.129 1.00 0.00 WT1 H ATOM 16041 H2 TIP3 5097 30.096 51.878 1.148 1.00 0.00 WT1 H ATOM 16042 OH2 TIP3 5103 45.006 37.911 65.269 1.00 0.00 WT1 O ATOM 16043 H1 TIP3 5103 44.270 37.788 64.670 1.00 0.00 WT1 H ATOM 16044 H2 TIP3 5103 45.754 37.527 64.812 1.00 0.00 WT1 H ATOM 16045 OH2 TIP3 5104 35.568 12.434 20.418 1.00 0.00 WT1 O ATOM 16046 H1 TIP3 5104 35.342 13.355 20.548 1.00 0.00 WT1 H ATOM 16047 H2 TIP3 5104 36.460 12.355 20.759 1.00 0.00 WT1 H ATOM 16048 OH2 TIP3 5106 48.817 61.069 -9.883 1.00 0.00 WT1 O ATOM 16049 H1 TIP3 5106 49.636 60.609 -9.697 1.00 0.00 WT1 H ATOM 16050 H2 TIP3 5106 48.722 61.691 -9.163 1.00 0.00 WT1 H ATOM 16051 OH2 TIP3 5108 20.371 37.799 29.217 1.00 0.00 WT1 O ATOM 16052 H1 TIP3 5108 19.941 38.506 28.737 1.00 0.00 WT1 H ATOM 16053 H2 TIP3 5108 21.089 37.523 28.647 1.00 0.00 WT1 H ATOM 16054 OH2 TIP3 5109 58.857 89.336 66.985 1.00 0.00 WT1 O ATOM 16055 H1 TIP3 5109 59.408 89.952 66.502 1.00 0.00 WT1 H ATOM 16056 H2 TIP3 5109 59.409 89.035 67.707 1.00 0.00 WT1 H ATOM 16057 OH2 TIP3 5110 82.554 15.962 51.229 1.00 0.00 WT1 O ATOM 16058 H1 TIP3 5110 83.000 15.628 52.007 1.00 0.00 WT1 H ATOM 16059 H2 TIP3 5110 83.008 16.779 51.024 1.00 0.00 WT1 H ATOM 16060 OH2 TIP3 5111 59.373 63.341 -6.181 1.00 0.00 WT1 O ATOM 16061 H1 TIP3 5111 59.672 62.792 -6.906 1.00 0.00 WT1 H ATOM 16062 H2 TIP3 5111 60.176 63.600 -5.729 1.00 0.00 WT1 H ATOM 16063 OH2 TIP3 5114 67.140 77.093 64.041 1.00 0.00 WT1 O ATOM 16064 H1 TIP3 5114 67.068 77.240 63.097 1.00 0.00 WT1 H ATOM 16065 H2 TIP3 5114 66.254 77.235 64.374 1.00 0.00 WT1 H ATOM 16066 OH2 TIP3 5116 71.166 46.936 10.691 1.00 0.00 WT1 O ATOM 16067 H1 TIP3 5116 71.694 47.468 10.096 1.00 0.00 WT1 H ATOM 16068 H2 TIP3 5116 71.053 47.485 11.467 1.00 0.00 WT1 H ATOM 16069 OH2 TIP3 5117 25.169 78.621 36.078 1.00 0.00 WT1 O ATOM 16070 H1 TIP3 5117 25.136 77.914 35.433 1.00 0.00 WT1 H ATOM 16071 H2 TIP3 5117 24.907 79.402 35.591 1.00 0.00 WT1 H ATOM 16072 OH2 TIP3 5122 43.641 41.824 66.287 1.00 0.00 WT1 O ATOM 16073 H1 TIP3 5122 44.256 41.092 66.335 1.00 0.00 WT1 H ATOM 16074 H2 TIP3 5122 43.051 41.689 67.029 1.00 0.00 WT1 H ATOM 16075 OH2 TIP3 5124 32.304 39.498 -11.591 1.00 0.00 WT1 O ATOM 16076 H1 TIP3 5124 32.715 40.090 -10.961 1.00 0.00 WT1 H ATOM 16077 H2 TIP3 5124 32.695 38.644 -11.408 1.00 0.00 WT1 H ATOM 16078 OH2 TIP3 5125 24.496 53.251 52.620 1.00 0.00 WT1 O ATOM 16079 H1 TIP3 5125 25.449 53.163 52.638 1.00 0.00 WT1 H ATOM 16080 H2 TIP3 5125 24.223 53.101 53.525 1.00 0.00 WT1 H ATOM 16081 OH2 TIP3 5126 72.230 22.106 -13.394 1.00 0.00 WT1 O ATOM 16082 H1 TIP3 5126 72.922 21.585 -12.987 1.00 0.00 WT1 H ATOM 16083 H2 TIP3 5126 72.477 22.153 -14.318 1.00 0.00 WT1 H ATOM 16084 OH2 TIP3 5127 40.903 62.008 -1.496 1.00 0.00 WT1 O ATOM 16085 H1 TIP3 5127 41.098 61.650 -0.630 1.00 0.00 WT1 H ATOM 16086 H2 TIP3 5127 40.024 61.687 -1.696 1.00 0.00 WT1 H ATOM 16087 OH2 TIP3 5128 52.279 5.448 36.014 1.00 0.00 WT1 O ATOM 16088 H1 TIP3 5128 53.089 5.011 35.751 1.00 0.00 WT1 H ATOM 16089 H2 TIP3 5128 52.559 6.115 36.640 1.00 0.00 WT1 H ATOM 16090 OH2 TIP3 5129 82.207 85.397 9.399 1.00 0.00 WT1 O ATOM 16091 H1 TIP3 5129 82.571 85.313 10.280 1.00 0.00 WT1 H ATOM 16092 H2 TIP3 5129 82.560 84.647 8.920 1.00 0.00 WT1 H ATOM 16093 OH2 TIP3 5130 61.437 78.513 31.338 1.00 0.00 WT1 O ATOM 16094 H1 TIP3 5130 61.345 78.303 32.267 1.00 0.00 WT1 H ATOM 16095 H2 TIP3 5130 60.646 78.158 30.932 1.00 0.00 WT1 H ATOM 16096 OH2 TIP3 5131 36.897 13.109 52.272 1.00 0.00 WT1 O ATOM 16097 H1 TIP3 5131 37.746 13.292 51.870 1.00 0.00 WT1 H ATOM 16098 H2 TIP3 5131 36.753 13.842 52.872 1.00 0.00 WT1 H ATOM 16099 OH2 TIP3 5132 52.469 21.633 14.633 1.00 0.00 WT1 O ATOM 16100 H1 TIP3 5132 51.950 21.066 14.062 1.00 0.00 WT1 H ATOM 16101 H2 TIP3 5132 51.855 22.308 14.923 1.00 0.00 WT1 H ATOM 16102 OH2 TIP3 5133 26.590 41.339 5.086 1.00 0.00 WT1 O ATOM 16103 H1 TIP3 5133 27.359 41.614 4.586 1.00 0.00 WT1 H ATOM 16104 H2 TIP3 5133 26.904 41.262 5.987 1.00 0.00 WT1 H ATOM 16105 OH2 TIP3 5134 62.727 11.005 -16.873 1.00 0.00 WT1 O ATOM 16106 H1 TIP3 5134 63.400 10.387 -17.158 1.00 0.00 WT1 H ATOM 16107 H2 TIP3 5134 62.856 11.081 -15.928 1.00 0.00 WT1 H ATOM 16108 OH2 TIP3 5135 76.544 31.671 16.387 1.00 0.00 WT1 O ATOM 16109 H1 TIP3 5135 76.707 31.406 15.482 1.00 0.00 WT1 H ATOM 16110 H2 TIP3 5135 77.035 32.486 16.490 1.00 0.00 WT1 H ATOM 16111 OH2 TIP3 5138 56.073 35.443 -13.957 1.00 0.00 WT1 O ATOM 16112 H1 TIP3 5138 55.284 35.953 -14.145 1.00 0.00 WT1 H ATOM 16113 H2 TIP3 5138 56.771 36.095 -13.895 1.00 0.00 WT1 H ATOM 16114 OH2 TIP3 5143 32.331 67.628 36.166 1.00 0.00 WT1 O ATOM 16115 H1 TIP3 5143 33.285 67.623 36.089 1.00 0.00 WT1 H ATOM 16116 H2 TIP3 5143 32.122 66.802 36.604 1.00 0.00 WT1 H ATOM 16117 OH2 TIP3 5144 89.870 38.305 -19.392 1.00 0.00 WT1 O ATOM 16118 H1 TIP3 5144 89.200 38.284 -20.075 1.00 0.00 WT1 H ATOM 16119 H2 TIP3 5144 89.785 39.174 -18.999 1.00 0.00 WT1 H ATOM 16120 OH2 TIP3 5146 52.598 63.735 -12.135 1.00 0.00 WT1 O ATOM 16121 H1 TIP3 5146 52.343 63.906 -11.228 1.00 0.00 WT1 H ATOM 16122 H2 TIP3 5146 52.095 62.959 -12.382 1.00 0.00 WT1 H ATOM 16123 OH2 TIP3 5147 45.494 35.088 48.094 1.00 0.00 WT1 O ATOM 16124 H1 TIP3 5147 45.864 35.969 48.150 1.00 0.00 WT1 H ATOM 16125 H2 TIP3 5147 44.754 35.176 47.492 1.00 0.00 WT1 H ATOM 16126 OH2 TIP3 5148 45.418 39.767 56.673 1.00 0.00 WT1 O ATOM 16127 H1 TIP3 5148 44.790 39.067 56.494 1.00 0.00 WT1 H ATOM 16128 H2 TIP3 5148 44.879 40.551 56.778 1.00 0.00 WT1 H ATOM 16129 OH2 TIP3 5149 83.277 38.111 65.938 1.00 0.00 WT1 O ATOM 16130 H1 TIP3 5149 83.474 38.309 66.853 1.00 0.00 WT1 H ATOM 16131 H2 TIP3 5149 84.072 38.352 65.463 1.00 0.00 WT1 H ATOM 16132 OH2 TIP3 5151 78.968 3.886 -15.646 1.00 0.00 WT1 O ATOM 16133 H1 TIP3 5151 78.991 3.134 -16.238 1.00 0.00 WT1 H ATOM 16134 H2 TIP3 5151 79.480 3.608 -14.886 1.00 0.00 WT1 H ATOM 16135 OH2 TIP3 5152 40.824 71.683 -10.009 1.00 0.00 WT1 O ATOM 16136 H1 TIP3 5152 41.260 71.701 -9.157 1.00 0.00 WT1 H ATOM 16137 H2 TIP3 5152 40.712 72.604 -10.241 1.00 0.00 WT1 H ATOM 16138 OH2 TIP3 5154 90.375 29.403 7.915 1.00 0.00 WT1 O ATOM 16139 H1 TIP3 5154 90.737 30.082 8.484 1.00 0.00 WT1 H ATOM 16140 H2 TIP3 5154 90.205 28.665 8.500 1.00 0.00 WT1 H ATOM 16141 OH2 TIP3 5156 27.771 90.712 -3.687 1.00 0.00 WT1 O ATOM 16142 H1 TIP3 5156 28.365 90.623 -4.432 1.00 0.00 WT1 H ATOM 16143 H2 TIP3 5156 27.867 89.891 -3.204 1.00 0.00 WT1 H ATOM 16144 OH2 TIP3 5162 78.972 21.423 65.172 1.00 0.00 WT1 O ATOM 16145 H1 TIP3 5162 78.691 20.930 64.402 1.00 0.00 WT1 H ATOM 16146 H2 TIP3 5162 78.941 22.339 64.895 1.00 0.00 WT1 H ATOM 16147 OH2 TIP3 5163 21.747 19.390 43.558 1.00 0.00 WT1 O ATOM 16148 H1 TIP3 5163 22.518 19.146 44.071 1.00 0.00 WT1 H ATOM 16149 H2 TIP3 5163 21.472 18.576 43.136 1.00 0.00 WT1 H ATOM 16150 OH2 TIP3 5164 45.169 70.144 26.121 1.00 0.00 WT1 O ATOM 16151 H1 TIP3 5164 45.374 70.732 26.848 1.00 0.00 WT1 H ATOM 16152 H2 TIP3 5164 45.965 70.131 25.591 1.00 0.00 WT1 H ATOM 16153 OH2 TIP3 5165 51.153 19.434 61.082 1.00 0.00 WT1 O ATOM 16154 H1 TIP3 5165 51.180 19.113 60.181 1.00 0.00 WT1 H ATOM 16155 H2 TIP3 5165 50.377 19.021 61.462 1.00 0.00 WT1 H ATOM 16156 OH2 TIP3 5166 85.361 85.232 -7.118 1.00 0.00 WT1 O ATOM 16157 H1 TIP3 5166 86.273 85.520 -7.155 1.00 0.00 WT1 H ATOM 16158 H2 TIP3 5166 84.929 85.876 -6.557 1.00 0.00 WT1 H ATOM 16159 OH2 TIP3 5167 64.027 19.824 -14.736 1.00 0.00 WT1 O ATOM 16160 H1 TIP3 5167 64.524 19.662 -13.934 1.00 0.00 WT1 H ATOM 16161 H2 TIP3 5167 64.560 20.449 -15.226 1.00 0.00 WT1 H ATOM 16162 OH2 TIP3 5168 77.191 12.904 39.548 1.00 0.00 WT1 O ATOM 16163 H1 TIP3 5168 77.628 12.097 39.821 1.00 0.00 WT1 H ATOM 16164 H2 TIP3 5168 77.364 12.965 38.609 1.00 0.00 WT1 H ATOM 16165 OH2 TIP3 5169 61.131 25.899 60.797 1.00 0.00 WT1 O ATOM 16166 H1 TIP3 5169 61.694 26.672 60.762 1.00 0.00 WT1 H ATOM 16167 H2 TIP3 5169 61.722 25.182 61.025 1.00 0.00 WT1 H ATOM 16168 OH2 TIP3 5170 22.782 37.192 50.564 1.00 0.00 WT1 O ATOM 16169 H1 TIP3 5170 23.670 37.103 50.909 1.00 0.00 WT1 H ATOM 16170 H2 TIP3 5170 22.667 38.133 50.436 1.00 0.00 WT1 H ATOM 16171 OH2 TIP3 5171 27.473 15.959 8.316 1.00 0.00 WT1 O ATOM 16172 H1 TIP3 5171 26.728 15.720 7.766 1.00 0.00 WT1 H ATOM 16173 H2 TIP3 5171 27.767 16.802 7.970 1.00 0.00 WT1 H ATOM 16174 OH2 TIP3 5172 27.461 46.888 23.106 1.00 0.00 WT1 O ATOM 16175 H1 TIP3 5172 28.271 47.330 23.360 1.00 0.00 WT1 H ATOM 16176 H2 TIP3 5172 27.471 46.900 22.149 1.00 0.00 WT1 H ATOM 16177 OH2 TIP3 5173 31.571 52.310 9.839 1.00 0.00 WT1 O ATOM 16178 H1 TIP3 5173 31.756 52.935 10.540 1.00 0.00 WT1 H ATOM 16179 H2 TIP3 5173 32.303 51.693 9.868 1.00 0.00 WT1 H ATOM 16180 OH2 TIP3 5174 86.153 93.830 -17.807 1.00 0.00 WT1 O ATOM 16181 H1 TIP3 5174 86.905 94.386 -17.601 1.00 0.00 WT1 H ATOM 16182 H2 TIP3 5174 86.043 93.280 -17.032 1.00 0.00 WT1 H ATOM 16183 OH2 TIP3 5175 67.176 45.837 28.468 1.00 0.00 WT1 O ATOM 16184 H1 TIP3 5175 66.493 46.366 28.881 1.00 0.00 WT1 H ATOM 16185 H2 TIP3 5175 67.463 46.360 27.719 1.00 0.00 WT1 H ATOM 16186 OH2 TIP3 5176 33.681 51.440 27.487 1.00 0.00 WT1 O ATOM 16187 H1 TIP3 5176 33.901 50.741 26.871 1.00 0.00 WT1 H ATOM 16188 H2 TIP3 5176 34.366 51.398 28.154 1.00 0.00 WT1 H ATOM 16189 OH2 TIP3 5180 54.356 50.825 22.358 1.00 0.00 WT1 O ATOM 16190 H1 TIP3 5180 54.651 50.146 21.751 1.00 0.00 WT1 H ATOM 16191 H2 TIP3 5180 53.580 51.200 21.941 1.00 0.00 WT1 H ATOM 16192 OH2 TIP3 5185 29.158 49.664 40.441 1.00 0.00 WT1 O ATOM 16193 H1 TIP3 5185 28.896 49.550 41.354 1.00 0.00 WT1 H ATOM 16194 H2 TIP3 5185 29.969 49.163 40.359 1.00 0.00 WT1 H ATOM 16195 OH2 TIP3 5186 50.634 53.957 -14.062 1.00 0.00 WT1 O ATOM 16196 H1 TIP3 5186 50.398 54.808 -14.430 1.00 0.00 WT1 H ATOM 16197 H2 TIP3 5186 51.503 53.774 -14.419 1.00 0.00 WT1 H ATOM 16198 OH2 TIP3 5187 78.819 29.642 45.431 1.00 0.00 WT1 O ATOM 16199 H1 TIP3 5187 79.499 29.129 45.867 1.00 0.00 WT1 H ATOM 16200 H2 TIP3 5187 78.297 30.006 46.146 1.00 0.00 WT1 H ATOM 16201 OH2 TIP3 5188 24.643 6.402 -4.480 1.00 0.00 WT1 O ATOM 16202 H1 TIP3 5188 25.177 6.750 -3.765 1.00 0.00 WT1 H ATOM 16203 H2 TIP3 5188 24.701 7.064 -5.168 1.00 0.00 WT1 H ATOM 16204 OH2 TIP3 5189 53.965 67.616 -13.727 1.00 0.00 WT1 O ATOM 16205 H1 TIP3 5189 53.739 66.726 -13.996 1.00 0.00 WT1 H ATOM 16206 H2 TIP3 5189 54.836 67.764 -14.095 1.00 0.00 WT1 H ATOM 16207 OH2 TIP3 5190 46.100 40.240 -9.408 1.00 0.00 WT1 O ATOM 16208 H1 TIP3 5190 46.705 40.452 -8.697 1.00 0.00 WT1 H ATOM 16209 H2 TIP3 5190 45.964 39.296 -9.335 1.00 0.00 WT1 H ATOM 16210 OH2 TIP3 5191 22.833 81.021 23.005 1.00 0.00 WT1 O ATOM 16211 H1 TIP3 5191 22.687 80.415 22.279 1.00 0.00 WT1 H ATOM 16212 H2 TIP3 5191 21.979 81.426 23.156 1.00 0.00 WT1 H ATOM 16213 OH2 TIP3 5192 87.176 64.448 38.088 1.00 0.00 WT1 O ATOM 16214 H1 TIP3 5192 86.390 64.653 37.583 1.00 0.00 WT1 H ATOM 16215 H2 TIP3 5192 87.554 63.687 37.648 1.00 0.00 WT1 H ATOM 16216 OH2 TIP3 5193 55.136 22.622 3.846 1.00 0.00 WT1 O ATOM 16217 H1 TIP3 5193 55.921 23.077 4.153 1.00 0.00 WT1 H ATOM 16218 H2 TIP3 5193 55.361 21.693 3.903 1.00 0.00 WT1 H ATOM 16219 OH2 TIP3 5194 84.385 78.823 2.953 1.00 0.00 WT1 O ATOM 16220 H1 TIP3 5194 84.874 78.455 2.216 1.00 0.00 WT1 H ATOM 16221 H2 TIP3 5194 83.916 79.570 2.581 1.00 0.00 WT1 H ATOM 16222 OH2 TIP3 5196 33.865 26.117 20.583 1.00 0.00 WT1 O ATOM 16223 H1 TIP3 5196 33.838 26.591 19.751 1.00 0.00 WT1 H ATOM 16224 H2 TIP3 5196 33.001 26.261 20.969 1.00 0.00 WT1 H ATOM 16225 OH2 TIP3 5199 45.771 57.923 17.726 1.00 0.00 WT1 O ATOM 16226 H1 TIP3 5199 45.766 58.770 18.172 1.00 0.00 WT1 H ATOM 16227 H2 TIP3 5199 46.444 57.417 18.181 1.00 0.00 WT1 H ATOM 16228 OH2 TIP3 5202 62.413 64.619 24.284 1.00 0.00 WT1 O ATOM 16229 H1 TIP3 5202 61.517 64.282 24.315 1.00 0.00 WT1 H ATOM 16230 H2 TIP3 5202 62.355 65.406 23.743 1.00 0.00 WT1 H ATOM 16231 OH2 TIP3 5205 30.789 24.859 10.602 1.00 0.00 WT1 O ATOM 16232 H1 TIP3 5205 31.297 24.231 11.116 1.00 0.00 WT1 H ATOM 16233 H2 TIP3 5205 31.070 25.716 10.923 1.00 0.00 WT1 H ATOM 16234 OH2 TIP3 5206 26.760 63.268 61.326 1.00 0.00 WT1 O ATOM 16235 H1 TIP3 5206 27.544 63.011 60.840 1.00 0.00 WT1 H ATOM 16236 H2 TIP3 5206 27.006 63.173 62.246 1.00 0.00 WT1 H ATOM 16237 OH2 TIP3 5207 53.710 25.550 -1.785 1.00 0.00 WT1 O ATOM 16238 H1 TIP3 5207 54.132 26.351 -1.476 1.00 0.00 WT1 H ATOM 16239 H2 TIP3 5207 52.773 25.725 -1.703 1.00 0.00 WT1 H ATOM 16240 OH2 TIP3 5209 82.000 76.204 28.605 1.00 0.00 WT1 O ATOM 16241 H1 TIP3 5209 81.052 76.296 28.510 1.00 0.00 WT1 H ATOM 16242 H2 TIP3 5209 82.113 75.424 29.148 1.00 0.00 WT1 H ATOM 16243 OH2 TIP3 5211 71.008 87.865 -7.968 1.00 0.00 WT1 O ATOM 16244 H1 TIP3 5211 71.926 87.597 -8.015 1.00 0.00 WT1 H ATOM 16245 H2 TIP3 5211 70.639 87.608 -8.813 1.00 0.00 WT1 H ATOM 16246 OH2 TIP3 5212 62.416 56.492 58.358 1.00 0.00 WT1 O ATOM 16247 H1 TIP3 5212 61.889 56.521 59.156 1.00 0.00 WT1 H ATOM 16248 H2 TIP3 5212 61.926 57.022 57.729 1.00 0.00 WT1 H ATOM 16249 OH2 TIP3 5213 54.037 89.742 61.586 1.00 0.00 WT1 O ATOM 16250 H1 TIP3 5213 54.381 90.575 61.264 1.00 0.00 WT1 H ATOM 16251 H2 TIP3 5213 54.200 89.764 62.529 1.00 0.00 WT1 H ATOM 16252 OH2 TIP3 5214 76.859 89.849 56.472 1.00 0.00 WT1 O ATOM 16253 H1 TIP3 5214 77.458 90.228 55.829 1.00 0.00 WT1 H ATOM 16254 H2 TIP3 5214 76.540 89.046 56.059 1.00 0.00 WT1 H ATOM 16255 OH2 TIP3 5216 47.331 74.979 -13.448 1.00 0.00 WT1 O ATOM 16256 H1 TIP3 5216 47.383 74.039 -13.275 1.00 0.00 WT1 H ATOM 16257 H2 TIP3 5216 46.602 75.070 -14.062 1.00 0.00 WT1 H ATOM 16258 OH2 TIP3 5219 83.824 91.809 4.958 1.00 0.00 WT1 O ATOM 16259 H1 TIP3 5219 83.338 91.306 5.612 1.00 0.00 WT1 H ATOM 16260 H2 TIP3 5219 84.288 91.148 4.444 1.00 0.00 WT1 H ATOM 16261 OH2 TIP3 5226 28.023 72.097 19.060 1.00 0.00 WT1 O ATOM 16262 H1 TIP3 5226 28.728 72.710 19.271 1.00 0.00 WT1 H ATOM 16263 H2 TIP3 5226 28.438 71.235 19.087 1.00 0.00 WT1 H ATOM 16264 OH2 TIP3 5230 44.809 50.809 65.024 1.00 0.00 WT1 O ATOM 16265 H1 TIP3 5230 43.873 51.003 65.067 1.00 0.00 WT1 H ATOM 16266 H2 TIP3 5230 45.179 51.523 64.505 1.00 0.00 WT1 H ATOM 16267 OH2 TIP3 5231 85.827 64.357 4.319 1.00 0.00 WT1 O ATOM 16268 H1 TIP3 5231 86.759 64.252 4.511 1.00 0.00 WT1 H ATOM 16269 H2 TIP3 5231 85.614 63.616 3.753 1.00 0.00 WT1 H ATOM 16270 OH2 TIP3 5233 71.929 44.416 1.307 1.00 0.00 WT1 O ATOM 16271 H1 TIP3 5233 72.394 44.443 0.471 1.00 0.00 WT1 H ATOM 16272 H2 TIP3 5233 72.494 44.899 1.911 1.00 0.00 WT1 H ATOM 16273 OH2 TIP3 5236 46.430 53.672 21.668 1.00 0.00 WT1 O ATOM 16274 H1 TIP3 5236 47.380 53.608 21.568 1.00 0.00 WT1 H ATOM 16275 H2 TIP3 5236 46.297 54.451 22.208 1.00 0.00 WT1 H ATOM 16276 OH2 TIP3 5239 32.569 14.401 44.157 1.00 0.00 WT1 O ATOM 16277 H1 TIP3 5239 31.982 13.861 43.627 1.00 0.00 WT1 H ATOM 16278 H2 TIP3 5239 33.434 14.264 43.772 1.00 0.00 WT1 H ATOM 16279 OH2 TIP3 5241 22.944 11.771 10.388 1.00 0.00 WT1 O ATOM 16280 H1 TIP3 5241 22.605 12.606 10.709 1.00 0.00 WT1 H ATOM 16281 H2 TIP3 5241 23.888 11.908 10.313 1.00 0.00 WT1 H ATOM 16282 OH2 TIP3 5243 78.246 89.634 7.248 1.00 0.00 WT1 O ATOM 16283 H1 TIP3 5243 78.340 90.328 6.597 1.00 0.00 WT1 H ATOM 16284 H2 TIP3 5243 78.944 89.012 7.039 1.00 0.00 WT1 H ATOM 16285 OH2 TIP3 5246 60.061 49.662 24.234 1.00 0.00 WT1 O ATOM 16286 H1 TIP3 5246 59.603 49.181 24.924 1.00 0.00 WT1 H ATOM 16287 H2 TIP3 5246 59.400 49.794 23.554 1.00 0.00 WT1 H ATOM 16288 OH2 TIP3 5247 58.092 43.031 33.113 1.00 0.00 WT1 O ATOM 16289 H1 TIP3 5247 57.502 43.581 32.597 1.00 0.00 WT1 H ATOM 16290 H2 TIP3 5247 58.964 43.228 32.769 1.00 0.00 WT1 H ATOM 16291 OH2 TIP3 5251 58.280 33.693 1.421 1.00 0.00 WT1 O ATOM 16292 H1 TIP3 5251 58.295 34.643 1.302 1.00 0.00 WT1 H ATOM 16293 H2 TIP3 5251 57.464 33.522 1.891 1.00 0.00 WT1 H ATOM 16294 OH2 TIP3 5252 50.686 69.897 29.667 1.00 0.00 WT1 O ATOM 16295 H1 TIP3 5252 50.326 69.438 28.908 1.00 0.00 WT1 H ATOM 16296 H2 TIP3 5252 50.818 69.211 30.322 1.00 0.00 WT1 H ATOM 16297 OH2 TIP3 5253 85.211 71.324 39.712 1.00 0.00 WT1 O ATOM 16298 H1 TIP3 5253 85.198 72.188 39.299 1.00 0.00 WT1 H ATOM 16299 H2 TIP3 5253 85.672 70.766 39.086 1.00 0.00 WT1 H ATOM 16300 OH2 TIP3 5254 57.364 66.300 42.593 1.00 0.00 WT1 O ATOM 16301 H1 TIP3 5254 57.052 66.149 41.701 1.00 0.00 WT1 H ATOM 16302 H2 TIP3 5254 56.852 65.696 43.131 1.00 0.00 WT1 H ATOM 16303 OH2 TIP3 5255 43.669 37.732 -19.551 1.00 0.00 WT1 O ATOM 16304 H1 TIP3 5255 44.132 37.840 -20.382 1.00 0.00 WT1 H ATOM 16305 H2 TIP3 5255 44.183 37.081 -19.073 1.00 0.00 WT1 H ATOM 16306 OH2 TIP3 5259 60.338 23.313 -15.092 1.00 0.00 WT1 O ATOM 16307 H1 TIP3 5259 60.339 24.171 -15.516 1.00 0.00 WT1 H ATOM 16308 H2 TIP3 5259 61.113 22.872 -15.442 1.00 0.00 WT1 H ATOM 16309 OH2 TIP3 5260 44.117 74.431 17.108 1.00 0.00 WT1 O ATOM 16310 H1 TIP3 5260 44.157 74.020 17.972 1.00 0.00 WT1 H ATOM 16311 H2 TIP3 5260 44.960 74.226 16.705 1.00 0.00 WT1 H ATOM 16312 OH2 TIP3 5264 40.824 27.183 18.006 1.00 0.00 WT1 O ATOM 16313 H1 TIP3 5264 40.583 26.649 18.763 1.00 0.00 WT1 H ATOM 16314 H2 TIP3 5264 41.334 27.905 18.374 1.00 0.00 WT1 H ATOM 16315 OH2 TIP3 5266 48.330 30.626 32.517 1.00 0.00 WT1 O ATOM 16316 H1 TIP3 5266 48.422 31.415 31.984 1.00 0.00 WT1 H ATOM 16317 H2 TIP3 5266 48.598 30.897 33.395 1.00 0.00 WT1 H ATOM 16318 OH2 TIP3 5267 54.770 84.765 9.712 1.00 0.00 WT1 O ATOM 16319 H1 TIP3 5267 55.117 84.598 8.835 1.00 0.00 WT1 H ATOM 16320 H2 TIP3 5267 55.239 85.544 10.011 1.00 0.00 WT1 H ATOM 16321 OH2 TIP3 5268 41.702 32.894 43.542 1.00 0.00 WT1 O ATOM 16322 H1 TIP3 5268 41.928 33.142 42.646 1.00 0.00 WT1 H ATOM 16323 H2 TIP3 5268 40.903 33.385 43.733 1.00 0.00 WT1 H ATOM 16324 OH2 TIP3 5269 50.257 54.323 17.790 1.00 0.00 WT1 O ATOM 16325 H1 TIP3 5269 50.685 53.473 17.888 1.00 0.00 WT1 H ATOM 16326 H2 TIP3 5269 49.332 54.112 17.658 1.00 0.00 WT1 H ATOM 16327 OH2 TIP3 5270 57.162 47.244 -12.380 1.00 0.00 WT1 O ATOM 16328 H1 TIP3 5270 57.341 46.818 -11.542 1.00 0.00 WT1 H ATOM 16329 H2 TIP3 5270 56.610 46.621 -12.852 1.00 0.00 WT1 H ATOM 16330 OH2 TIP3 5271 31.176 11.819 49.610 1.00 0.00 WT1 O ATOM 16331 H1 TIP3 5271 31.950 11.295 49.817 1.00 0.00 WT1 H ATOM 16332 H2 TIP3 5271 31.524 12.680 49.379 1.00 0.00 WT1 H ATOM 16333 OH2 TIP3 5272 53.969 81.373 11.128 1.00 0.00 WT1 O ATOM 16334 H1 TIP3 5272 53.303 80.786 10.769 1.00 0.00 WT1 H ATOM 16335 H2 TIP3 5272 54.688 81.334 10.498 1.00 0.00 WT1 H ATOM 16336 OH2 TIP3 5273 60.236 4.569 43.855 1.00 0.00 WT1 O ATOM 16337 H1 TIP3 5273 60.273 3.614 43.809 1.00 0.00 WT1 H ATOM 16338 H2 TIP3 5273 61.135 4.852 43.684 1.00 0.00 WT1 H ATOM 16339 OH2 TIP3 5274 45.149 3.186 -10.209 1.00 0.00 WT1 O ATOM 16340 H1 TIP3 5274 45.430 3.866 -10.821 1.00 0.00 WT1 H ATOM 16341 H2 TIP3 5274 44.983 2.421 -10.760 1.00 0.00 WT1 H ATOM 16342 OH2 TIP3 5275 52.840 62.413 41.882 1.00 0.00 WT1 O ATOM 16343 H1 TIP3 5275 53.022 62.252 40.956 1.00 0.00 WT1 H ATOM 16344 H2 TIP3 5275 53.704 62.520 42.281 1.00 0.00 WT1 H ATOM 16345 OH2 TIP3 5276 67.149 59.159 -14.080 1.00 0.00 WT1 O ATOM 16346 H1 TIP3 5276 67.781 58.660 -14.597 1.00 0.00 WT1 H ATOM 16347 H2 TIP3 5276 66.818 58.531 -13.437 1.00 0.00 WT1 H ATOM 16348 OH2 TIP3 5277 50.288 63.460 62.260 1.00 0.00 WT1 O ATOM 16349 H1 TIP3 5277 49.896 64.150 61.724 1.00 0.00 WT1 H ATOM 16350 H2 TIP3 5277 50.355 63.843 63.134 1.00 0.00 WT1 H ATOM 16351 OH2 TIP3 5278 41.524 64.342 9.345 1.00 0.00 WT1 O ATOM 16352 H1 TIP3 5278 42.217 63.812 8.952 1.00 0.00 WT1 H ATOM 16353 H2 TIP3 5278 41.988 65.042 9.805 1.00 0.00 WT1 H ATOM 16354 OH2 TIP3 5280 27.878 62.054 20.101 1.00 0.00 WT1 O ATOM 16355 H1 TIP3 5280 28.617 62.658 20.028 1.00 0.00 WT1 H ATOM 16356 H2 TIP3 5280 27.162 62.592 20.438 1.00 0.00 WT1 H ATOM 16357 OH2 TIP3 5283 63.269 62.246 44.475 1.00 0.00 WT1 O ATOM 16358 H1 TIP3 5283 63.080 62.555 43.589 1.00 0.00 WT1 H ATOM 16359 H2 TIP3 5283 62.626 61.554 44.631 1.00 0.00 WT1 H ATOM 16360 OH2 TIP3 5284 35.297 6.680 16.955 1.00 0.00 WT1 O ATOM 16361 H1 TIP3 5284 35.909 7.403 17.092 1.00 0.00 WT1 H ATOM 16362 H2 TIP3 5284 34.513 6.934 17.442 1.00 0.00 WT1 H ATOM 16363 OH2 TIP3 5286 37.005 22.741 -5.418 1.00 0.00 WT1 O ATOM 16364 H1 TIP3 5286 37.690 23.354 -5.152 1.00 0.00 WT1 H ATOM 16365 H2 TIP3 5286 37.462 22.082 -5.940 1.00 0.00 WT1 H ATOM 16366 OH2 TIP3 5288 50.503 79.808 46.558 1.00 0.00 WT1 O ATOM 16367 H1 TIP3 5288 51.006 79.404 45.851 1.00 0.00 WT1 H ATOM 16368 H2 TIP3 5288 50.837 79.398 47.356 1.00 0.00 WT1 H ATOM 16369 OH2 TIP3 5289 52.905 83.404 -16.157 1.00 0.00 WT1 O ATOM 16370 H1 TIP3 5289 53.632 83.974 -15.908 1.00 0.00 WT1 H ATOM 16371 H2 TIP3 5289 52.765 82.846 -15.392 1.00 0.00 WT1 H ATOM 16372 OH2 TIP3 5292 32.982 9.684 63.202 1.00 0.00 WT1 O ATOM 16373 H1 TIP3 5292 32.691 9.865 64.096 1.00 0.00 WT1 H ATOM 16374 H2 TIP3 5292 32.210 9.322 62.767 1.00 0.00 WT1 H ATOM 16375 OH2 TIP3 5293 70.062 54.154 -3.801 1.00 0.00 WT1 O ATOM 16376 H1 TIP3 5293 70.345 54.356 -4.693 1.00 0.00 WT1 H ATOM 16377 H2 TIP3 5293 69.746 54.988 -3.454 1.00 0.00 WT1 H ATOM 16378 OH2 TIP3 5294 72.892 90.997 14.164 1.00 0.00 WT1 O ATOM 16379 H1 TIP3 5294 72.524 90.756 15.014 1.00 0.00 WT1 H ATOM 16380 H2 TIP3 5294 73.055 90.161 13.728 1.00 0.00 WT1 H ATOM 16381 OH2 TIP3 5295 57.267 33.338 67.199 1.00 0.00 WT1 O ATOM 16382 H1 TIP3 5295 56.588 33.935 67.513 1.00 0.00 WT1 H ATOM 16383 H2 TIP3 5295 57.441 33.624 66.302 1.00 0.00 WT1 H ATOM 16384 OH2 TIP3 5296 59.825 16.539 47.495 1.00 0.00 WT1 O ATOM 16385 H1 TIP3 5296 59.995 15.850 46.853 1.00 0.00 WT1 H ATOM 16386 H2 TIP3 5296 59.929 17.354 47.005 1.00 0.00 WT1 H ATOM 16387 OH2 TIP3 5297 53.935 58.994 -1.906 1.00 0.00 WT1 O ATOM 16388 H1 TIP3 5297 54.130 59.270 -1.011 1.00 0.00 WT1 H ATOM 16389 H2 TIP3 5297 53.152 58.449 -1.824 1.00 0.00 WT1 H ATOM 16390 OH2 TIP3 5298 27.016 61.538 27.258 1.00 0.00 WT1 O ATOM 16391 H1 TIP3 5298 27.884 61.438 27.650 1.00 0.00 WT1 H ATOM 16392 H2 TIP3 5298 27.099 62.301 26.685 1.00 0.00 WT1 H ATOM 16393 OH2 TIP3 5300 81.245 49.026 13.086 1.00 0.00 WT1 O ATOM 16394 H1 TIP3 5300 80.981 49.248 13.979 1.00 0.00 WT1 H ATOM 16395 H2 TIP3 5300 82.092 49.456 12.972 1.00 0.00 WT1 H ATOM 16396 OH2 TIP3 5301 49.753 87.775 60.267 1.00 0.00 WT1 O ATOM 16397 H1 TIP3 5301 49.842 88.131 59.383 1.00 0.00 WT1 H ATOM 16398 H2 TIP3 5301 49.820 88.538 60.842 1.00 0.00 WT1 H ATOM 16399 OH2 TIP3 5302 63.158 83.171 21.149 1.00 0.00 WT1 O ATOM 16400 H1 TIP3 5302 62.859 82.390 21.615 1.00 0.00 WT1 H ATOM 16401 H2 TIP3 5302 62.366 83.694 21.025 1.00 0.00 WT1 H ATOM 16402 OH2 TIP3 5304 61.263 81.519 29.061 1.00 0.00 WT1 O ATOM 16403 H1 TIP3 5304 61.668 81.062 29.798 1.00 0.00 WT1 H ATOM 16404 H2 TIP3 5304 61.504 80.999 28.295 1.00 0.00 WT1 H ATOM 16405 OH2 TIP3 5305 72.570 31.958 -11.743 1.00 0.00 WT1 O ATOM 16406 H1 TIP3 5305 72.740 31.778 -10.819 1.00 0.00 WT1 H ATOM 16407 H2 TIP3 5305 72.973 32.813 -11.900 1.00 0.00 WT1 H ATOM 16408 OH2 TIP3 5306 43.208 5.743 22.660 1.00 0.00 WT1 O ATOM 16409 H1 TIP3 5306 43.625 6.157 23.416 1.00 0.00 WT1 H ATOM 16410 H2 TIP3 5306 43.170 4.814 22.886 1.00 0.00 WT1 H ATOM 16411 OH2 TIP3 5309 73.741 11.205 6.403 1.00 0.00 WT1 O ATOM 16412 H1 TIP3 5309 73.295 10.419 6.088 1.00 0.00 WT1 H ATOM 16413 H2 TIP3 5309 73.670 11.827 5.679 1.00 0.00 WT1 H ATOM 16414 OH2 TIP3 5311 45.133 8.169 -1.190 1.00 0.00 WT1 O ATOM 16415 H1 TIP3 5311 45.292 8.422 -0.280 1.00 0.00 WT1 H ATOM 16416 H2 TIP3 5311 44.741 7.298 -1.132 1.00 0.00 WT1 H ATOM 16417 OH2 TIP3 5313 70.687 5.018 9.233 1.00 0.00 WT1 O ATOM 16418 H1 TIP3 5313 69.911 5.281 8.737 1.00 0.00 WT1 H ATOM 16419 H2 TIP3 5313 71.372 5.620 8.944 1.00 0.00 WT1 H ATOM 16420 OH2 TIP3 5314 40.295 88.646 -16.715 1.00 0.00 WT1 O ATOM 16421 H1 TIP3 5314 40.266 87.733 -17.000 1.00 0.00 WT1 H ATOM 16422 H2 TIP3 5314 40.804 89.093 -17.392 1.00 0.00 WT1 H ATOM 16423 OH2 TIP3 5315 66.029 69.482 56.493 1.00 0.00 WT1 O ATOM 16424 H1 TIP3 5315 66.509 69.385 55.671 1.00 0.00 WT1 H ATOM 16425 H2 TIP3 5315 66.245 70.365 56.794 1.00 0.00 WT1 H ATOM 16426 OH2 TIP3 5316 70.419 61.860 10.504 1.00 0.00 WT1 O ATOM 16427 H1 TIP3 5316 70.327 61.016 10.946 1.00 0.00 WT1 H ATOM 16428 H2 TIP3 5316 70.584 61.635 9.589 1.00 0.00 WT1 H ATOM 16429 OH2 TIP3 5317 69.925 18.313 59.084 1.00 0.00 WT1 O ATOM 16430 H1 TIP3 5317 70.724 18.492 58.589 1.00 0.00 WT1 H ATOM 16431 H2 TIP3 5317 69.891 17.359 59.148 1.00 0.00 WT1 H ATOM 16432 OH2 TIP3 5318 79.329 10.523 -11.213 1.00 0.00 WT1 O ATOM 16433 H1 TIP3 5318 78.537 10.511 -10.677 1.00 0.00 WT1 H ATOM 16434 H2 TIP3 5318 80.040 10.354 -10.595 1.00 0.00 WT1 H ATOM 16435 OH2 TIP3 5319 41.765 90.428 54.171 1.00 0.00 WT1 O ATOM 16436 H1 TIP3 5319 41.467 89.548 54.399 1.00 0.00 WT1 H ATOM 16437 H2 TIP3 5319 41.290 90.642 53.368 1.00 0.00 WT1 H ATOM 16438 OH2 TIP3 5320 63.986 77.176 25.739 1.00 0.00 WT1 O ATOM 16439 H1 TIP3 5320 63.410 77.265 24.980 1.00 0.00 WT1 H ATOM 16440 H2 TIP3 5320 63.658 76.405 26.201 1.00 0.00 WT1 H ATOM 16441 OH2 TIP3 5322 43.591 1.132 1.379 1.00 0.00 WT1 O ATOM 16442 H1 TIP3 5322 43.548 2.003 0.985 1.00 0.00 WT1 H ATOM 16443 H2 TIP3 5322 42.741 1.019 1.804 1.00 0.00 WT1 H ATOM 16444 OH2 TIP3 5323 30.596 6.264 38.831 1.00 0.00 WT1 O ATOM 16445 H1 TIP3 5323 31.312 5.674 38.598 1.00 0.00 WT1 H ATOM 16446 H2 TIP3 5323 29.823 5.876 38.421 1.00 0.00 WT1 H ATOM 16447 OH2 TIP3 5325 36.181 22.625 29.237 1.00 0.00 WT1 O ATOM 16448 H1 TIP3 5325 35.570 21.892 29.314 1.00 0.00 WT1 H ATOM 16449 H2 TIP3 5325 35.644 23.351 28.917 1.00 0.00 WT1 H ATOM 16450 OH2 TIP3 5326 45.279 74.084 6.620 1.00 0.00 WT1 O ATOM 16451 H1 TIP3 5326 45.951 73.454 6.879 1.00 0.00 WT1 H ATOM 16452 H2 TIP3 5326 44.452 73.617 6.741 1.00 0.00 WT1 H ATOM 16453 OH2 TIP3 5327 80.460 23.110 2.000 1.00 0.00 WT1 O ATOM 16454 H1 TIP3 5327 80.331 23.291 2.931 1.00 0.00 WT1 H ATOM 16455 H2 TIP3 5327 80.600 23.970 1.605 1.00 0.00 WT1 H ATOM 16456 OH2 TIP3 5328 63.776 53.014 -10.779 1.00 0.00 WT1 O ATOM 16457 H1 TIP3 5328 64.658 52.872 -10.435 1.00 0.00 WT1 H ATOM 16458 H2 TIP3 5328 63.395 53.674 -10.199 1.00 0.00 WT1 H ATOM 16459 OH2 TIP3 5330 51.409 93.872 52.540 1.00 0.00 WT1 O ATOM 16460 H1 TIP3 5330 50.978 93.142 52.985 1.00 0.00 WT1 H ATOM 16461 H2 TIP3 5330 51.427 93.613 51.619 1.00 0.00 WT1 H ATOM 16462 OH2 TIP3 5331 41.739 83.023 -8.049 1.00 0.00 WT1 O ATOM 16463 H1 TIP3 5331 42.085 82.270 -7.570 1.00 0.00 WT1 H ATOM 16464 H2 TIP3 5331 42.361 83.159 -8.764 1.00 0.00 WT1 H ATOM 16465 OH2 TIP3 5333 46.563 26.199 60.450 1.00 0.00 WT1 O ATOM 16466 H1 TIP3 5333 46.139 27.057 60.426 1.00 0.00 WT1 H ATOM 16467 H2 TIP3 5333 46.307 25.781 59.628 1.00 0.00 WT1 H ATOM 16468 OH2 TIP3 5334 60.201 93.572 20.184 1.00 0.00 WT1 O ATOM 16469 H1 TIP3 5334 60.350 92.825 19.605 1.00 0.00 WT1 H ATOM 16470 H2 TIP3 5334 59.266 93.759 20.099 1.00 0.00 WT1 H ATOM 16471 OH2 TIP3 5335 45.957 70.586 61.623 1.00 0.00 WT1 O ATOM 16472 H1 TIP3 5335 46.531 70.928 60.938 1.00 0.00 WT1 H ATOM 16473 H2 TIP3 5335 45.076 70.664 61.259 1.00 0.00 WT1 H ATOM 16474 OH2 TIP3 5336 65.588 42.351 6.790 1.00 0.00 WT1 O ATOM 16475 H1 TIP3 5336 65.835 43.037 7.410 1.00 0.00 WT1 H ATOM 16476 H2 TIP3 5336 64.724 42.613 6.472 1.00 0.00 WT1 H ATOM 16477 OH2 TIP3 5338 51.958 7.311 49.833 1.00 0.00 WT1 O ATOM 16478 H1 TIP3 5338 51.186 6.797 49.599 1.00 0.00 WT1 H ATOM 16479 H2 TIP3 5338 52.073 7.158 50.771 1.00 0.00 WT1 H ATOM 16480 OH2 TIP3 5339 52.848 22.235 47.847 1.00 0.00 WT1 O ATOM 16481 H1 TIP3 5339 52.823 21.445 48.386 1.00 0.00 WT1 H ATOM 16482 H2 TIP3 5339 52.334 22.877 48.338 1.00 0.00 WT1 H ATOM 16483 OH2 TIP3 5340 83.183 34.708 63.484 1.00 0.00 WT1 O ATOM 16484 H1 TIP3 5340 83.248 35.501 62.953 1.00 0.00 WT1 H ATOM 16485 H2 TIP3 5340 82.928 34.024 62.865 1.00 0.00 WT1 H ATOM 16486 OH2 TIP3 5341 57.393 31.392 54.668 1.00 0.00 WT1 O ATOM 16487 H1 TIP3 5341 57.251 32.090 55.307 1.00 0.00 WT1 H ATOM 16488 H2 TIP3 5341 58.181 31.657 54.194 1.00 0.00 WT1 H ATOM 16489 OH2 TIP3 5342 35.724 20.146 62.164 1.00 0.00 WT1 O ATOM 16490 H1 TIP3 5342 35.441 20.407 63.040 1.00 0.00 WT1 H ATOM 16491 H2 TIP3 5342 35.476 20.881 61.603 1.00 0.00 WT1 H ATOM 16492 OH2 TIP3 5343 62.483 22.221 20.000 1.00 0.00 WT1 O ATOM 16493 H1 TIP3 5343 61.951 22.817 20.528 1.00 0.00 WT1 H ATOM 16494 H2 TIP3 5343 62.097 21.358 20.149 1.00 0.00 WT1 H ATOM 16495 OH2 TIP3 5344 48.883 84.799 14.692 1.00 0.00 WT1 O ATOM 16496 H1 TIP3 5344 49.795 84.945 14.443 1.00 0.00 WT1 H ATOM 16497 H2 TIP3 5344 48.891 84.808 15.649 1.00 0.00 WT1 H ATOM 16498 OH2 TIP3 5346 45.392 58.180 -16.283 1.00 0.00 WT1 O ATOM 16499 H1 TIP3 5346 45.391 57.774 -15.416 1.00 0.00 WT1 H ATOM 16500 H2 TIP3 5346 44.972 59.030 -16.151 1.00 0.00 WT1 H ATOM 16501 OH2 TIP3 5348 24.386 20.392 51.703 1.00 0.00 WT1 O ATOM 16502 H1 TIP3 5348 24.311 19.724 51.020 1.00 0.00 WT1 H ATOM 16503 H2 TIP3 5348 25.263 20.757 51.586 1.00 0.00 WT1 H ATOM 16504 OH2 TIP3 5349 74.219 35.623 29.175 1.00 0.00 WT1 O ATOM 16505 H1 TIP3 5349 74.233 34.673 29.293 1.00 0.00 WT1 H ATOM 16506 H2 TIP3 5349 75.139 35.865 29.067 1.00 0.00 WT1 H ATOM 16507 OH2 TIP3 5350 25.707 13.979 -4.238 1.00 0.00 WT1 O ATOM 16508 H1 TIP3 5350 26.229 14.781 -4.225 1.00 0.00 WT1 H ATOM 16509 H2 TIP3 5350 25.160 14.036 -3.454 1.00 0.00 WT1 H ATOM 16510 OH2 TIP3 5351 45.721 76.457 51.126 1.00 0.00 WT1 O ATOM 16511 H1 TIP3 5351 46.469 77.030 51.294 1.00 0.00 WT1 H ATOM 16512 H2 TIP3 5351 46.111 75.607 50.922 1.00 0.00 WT1 H ATOM 16513 OH2 TIP3 5352 79.698 66.463 38.810 1.00 0.00 WT1 O ATOM 16514 H1 TIP3 5352 79.689 66.414 39.766 1.00 0.00 WT1 H ATOM 16515 H2 TIP3 5352 79.099 67.180 38.601 1.00 0.00 WT1 H ATOM 16516 OH2 TIP3 5353 85.159 42.460 49.558 1.00 0.00 WT1 O ATOM 16517 H1 TIP3 5353 84.268 42.384 49.217 1.00 0.00 WT1 H ATOM 16518 H2 TIP3 5353 85.067 42.329 50.501 1.00 0.00 WT1 H ATOM 16519 OH2 TIP3 5354 57.670 1.310 16.277 1.00 0.00 WT1 O ATOM 16520 H1 TIP3 5354 57.139 0.568 15.988 1.00 0.00 WT1 H ATOM 16521 H2 TIP3 5354 58.437 1.293 15.706 1.00 0.00 WT1 H ATOM 16522 OH2 TIP3 5355 90.091 66.289 -9.262 1.00 0.00 WT1 O ATOM 16523 H1 TIP3 5355 90.640 67.044 -9.473 1.00 0.00 WT1 H ATOM 16524 H2 TIP3 5355 89.541 66.586 -8.537 1.00 0.00 WT1 H ATOM 16525 OH2 TIP3 5356 46.076 82.958 4.012 1.00 0.00 WT1 O ATOM 16526 H1 TIP3 5356 46.394 83.705 3.505 1.00 0.00 WT1 H ATOM 16527 H2 TIP3 5356 46.649 82.234 3.758 1.00 0.00 WT1 H ATOM 16528 OH2 TIP3 5357 66.209 28.122 -2.402 1.00 0.00 WT1 O ATOM 16529 H1 TIP3 5357 65.844 28.914 -2.008 1.00 0.00 WT1 H ATOM 16530 H2 TIP3 5357 66.019 27.430 -1.769 1.00 0.00 WT1 H ATOM 16531 OH2 TIP3 5358 31.793 87.984 -18.144 1.00 0.00 WT1 O ATOM 16532 H1 TIP3 5358 30.874 88.155 -18.352 1.00 0.00 WT1 H ATOM 16533 H2 TIP3 5358 32.275 88.302 -18.908 1.00 0.00 WT1 H ATOM 16534 OH2 TIP3 5359 55.477 25.352 10.596 1.00 0.00 WT1 O ATOM 16535 H1 TIP3 5359 55.488 25.323 11.553 1.00 0.00 WT1 H ATOM 16536 H2 TIP3 5359 54.606 25.682 10.376 1.00 0.00 WT1 H ATOM 16537 OH2 TIP3 5360 61.702 19.422 33.402 1.00 0.00 WT1 O ATOM 16538 H1 TIP3 5360 62.636 19.303 33.232 1.00 0.00 WT1 H ATOM 16539 H2 TIP3 5360 61.586 20.371 33.453 1.00 0.00 WT1 H ATOM 16540 OH2 TIP3 5361 56.442 58.101 12.817 1.00 0.00 WT1 O ATOM 16541 H1 TIP3 5361 56.064 57.446 13.404 1.00 0.00 WT1 H ATOM 16542 H2 TIP3 5361 56.355 58.928 13.292 1.00 0.00 WT1 H ATOM 16543 OH2 TIP3 5364 27.346 73.865 25.718 1.00 0.00 WT1 O ATOM 16544 H1 TIP3 5364 27.964 74.260 26.333 1.00 0.00 WT1 H ATOM 16545 H2 TIP3 5364 27.559 74.264 24.874 1.00 0.00 WT1 H ATOM 16546 OH2 TIP3 5365 80.343 17.807 -16.941 1.00 0.00 WT1 O ATOM 16547 H1 TIP3 5365 80.598 17.074 -16.381 1.00 0.00 WT1 H ATOM 16548 H2 TIP3 5365 79.473 17.573 -17.263 1.00 0.00 WT1 H ATOM 16549 OH2 TIP3 5366 27.171 87.770 -8.854 1.00 0.00 WT1 O ATOM 16550 H1 TIP3 5366 26.530 87.144 -9.192 1.00 0.00 WT1 H ATOM 16551 H2 TIP3 5366 27.968 87.591 -9.353 1.00 0.00 WT1 H ATOM 16552 OH2 TIP3 5368 66.281 14.586 28.844 1.00 0.00 WT1 O ATOM 16553 H1 TIP3 5368 67.185 14.897 28.788 1.00 0.00 WT1 H ATOM 16554 H2 TIP3 5368 65.816 15.081 28.170 1.00 0.00 WT1 H ATOM 16555 OH2 TIP3 5369 56.780 75.770 -0.069 1.00 0.00 WT1 O ATOM 16556 H1 TIP3 5369 56.857 75.606 0.870 1.00 0.00 WT1 H ATOM 16557 H2 TIP3 5369 57.543 75.337 -0.452 1.00 0.00 WT1 H ATOM 16558 OH2 TIP3 5370 37.968 22.141 24.092 1.00 0.00 WT1 O ATOM 16559 H1 TIP3 5370 37.677 21.587 23.368 1.00 0.00 WT1 H ATOM 16560 H2 TIP3 5370 37.172 22.577 24.395 1.00 0.00 WT1 H ATOM 16561 OH2 TIP3 5371 71.092 2.768 37.263 1.00 0.00 WT1 O ATOM 16562 H1 TIP3 5371 70.277 2.293 37.100 1.00 0.00 WT1 H ATOM 16563 H2 TIP3 5371 71.050 3.007 38.189 1.00 0.00 WT1 H ATOM 16564 OH2 TIP3 5372 76.878 92.537 43.142 1.00 0.00 WT1 O ATOM 16565 H1 TIP3 5372 76.426 91.693 43.122 1.00 0.00 WT1 H ATOM 16566 H2 TIP3 5372 76.218 93.169 42.858 1.00 0.00 WT1 H ATOM 16567 OH2 TIP3 5374 35.339 25.029 63.097 1.00 0.00 WT1 O ATOM 16568 H1 TIP3 5374 34.754 25.662 63.513 1.00 0.00 WT1 H ATOM 16569 H2 TIP3 5374 36.092 24.975 63.686 1.00 0.00 WT1 H ATOM 16570 OH2 TIP3 5375 39.566 12.232 -8.606 1.00 0.00 WT1 O ATOM 16571 H1 TIP3 5375 39.125 12.985 -9.000 1.00 0.00 WT1 H ATOM 16572 H2 TIP3 5375 40.499 12.420 -8.709 1.00 0.00 WT1 H ATOM 16573 OH2 TIP3 5376 61.480 25.740 52.912 1.00 0.00 WT1 O ATOM 16574 H1 TIP3 5376 62.091 25.832 52.181 1.00 0.00 WT1 H ATOM 16575 H2 TIP3 5376 60.640 25.540 52.500 1.00 0.00 WT1 H ATOM 16576 OH2 TIP3 5377 53.329 48.553 36.253 1.00 0.00 WT1 O ATOM 16577 H1 TIP3 5377 53.525 49.451 35.983 1.00 0.00 WT1 H ATOM 16578 H2 TIP3 5377 53.090 48.106 35.441 1.00 0.00 WT1 H ATOM 16579 OH2 TIP3 5378 80.706 88.570 63.776 1.00 0.00 WT1 O ATOM 16580 H1 TIP3 5378 81.073 88.177 64.568 1.00 0.00 WT1 H ATOM 16581 H2 TIP3 5378 80.214 89.328 64.091 1.00 0.00 WT1 H ATOM 16582 OH2 TIP3 5379 81.912 79.994 -11.020 1.00 0.00 WT1 O ATOM 16583 H1 TIP3 5379 81.608 80.854 -10.731 1.00 0.00 WT1 H ATOM 16584 H2 TIP3 5379 81.449 79.373 -10.456 1.00 0.00 WT1 H ATOM 16585 OH2 TIP3 5380 50.345 21.374 17.661 1.00 0.00 WT1 O ATOM 16586 H1 TIP3 5380 49.398 21.479 17.568 1.00 0.00 WT1 H ATOM 16587 H2 TIP3 5380 50.713 22.169 17.274 1.00 0.00 WT1 H ATOM 16588 OH2 TIP3 5381 50.493 34.060 14.933 1.00 0.00 WT1 O ATOM 16589 H1 TIP3 5381 49.995 33.292 14.655 1.00 0.00 WT1 H ATOM 16590 H2 TIP3 5381 50.087 34.324 15.759 1.00 0.00 WT1 H ATOM 16591 OH2 TIP3 5382 32.472 28.578 4.433 1.00 0.00 WT1 O ATOM 16592 H1 TIP3 5382 32.313 27.811 3.884 1.00 0.00 WT1 H ATOM 16593 H2 TIP3 5382 32.004 28.392 5.247 1.00 0.00 WT1 H ATOM 16594 OH2 TIP3 5383 72.771 0.199 -3.572 1.00 0.00 WT1 O ATOM 16595 H1 TIP3 5383 72.568 0.664 -4.383 1.00 0.00 WT1 H ATOM 16596 H2 TIP3 5383 72.928 0.893 -2.931 1.00 0.00 WT1 H ATOM 16597 OH2 TIP3 5384 88.027 42.645 -17.048 1.00 0.00 WT1 O ATOM 16598 H1 TIP3 5384 87.637 43.171 -16.350 1.00 0.00 WT1 H ATOM 16599 H2 TIP3 5384 87.333 42.039 -17.308 1.00 0.00 WT1 H ATOM 16600 OH2 TIP3 5385 34.048 81.697 22.266 1.00 0.00 WT1 O ATOM 16601 H1 TIP3 5385 34.557 80.896 22.394 1.00 0.00 WT1 H ATOM 16602 H2 TIP3 5385 34.117 81.877 21.328 1.00 0.00 WT1 H ATOM 16603 OH2 TIP3 5388 50.545 93.979 46.401 1.00 0.00 WT1 O ATOM 16604 H1 TIP3 5388 50.095 94.419 45.680 1.00 0.00 WT1 H ATOM 16605 H2 TIP3 5388 51.153 94.635 46.741 1.00 0.00 WT1 H ATOM 16606 OH2 TIP3 5389 71.090 28.824 56.038 1.00 0.00 WT1 O ATOM 16607 H1 TIP3 5389 71.283 28.603 55.127 1.00 0.00 WT1 H ATOM 16608 H2 TIP3 5389 71.726 28.320 56.546 1.00 0.00 WT1 H ATOM 16609 OH2 TIP3 5390 74.981 28.109 -1.071 1.00 0.00 WT1 O ATOM 16610 H1 TIP3 5390 75.322 28.995 -1.197 1.00 0.00 WT1 H ATOM 16611 H2 TIP3 5390 74.037 28.228 -0.965 1.00 0.00 WT1 H ATOM 16612 OH2 TIP3 5392 29.341 58.082 24.815 1.00 0.00 WT1 O ATOM 16613 H1 TIP3 5392 29.592 58.031 25.737 1.00 0.00 WT1 H ATOM 16614 H2 TIP3 5392 30.171 58.153 24.344 1.00 0.00 WT1 H ATOM 16615 OH2 TIP3 5393 21.126 37.708 64.419 1.00 0.00 WT1 O ATOM 16616 H1 TIP3 5393 21.931 37.603 63.911 1.00 0.00 WT1 H ATOM 16617 H2 TIP3 5393 21.010 38.655 64.492 1.00 0.00 WT1 H ATOM 16618 OH2 TIP3 5394 33.798 30.935 10.013 1.00 0.00 WT1 O ATOM 16619 H1 TIP3 5394 33.020 31.223 9.536 1.00 0.00 WT1 H ATOM 16620 H2 TIP3 5394 33.489 30.780 10.906 1.00 0.00 WT1 H ATOM 16621 OH2 TIP3 5395 34.223 47.446 50.011 1.00 0.00 WT1 O ATOM 16622 H1 TIP3 5395 35.145 47.696 50.061 1.00 0.00 WT1 H ATOM 16623 H2 TIP3 5395 33.759 48.149 50.464 1.00 0.00 WT1 H ATOM 16624 OH2 TIP3 5396 51.679 75.872 30.612 1.00 0.00 WT1 O ATOM 16625 H1 TIP3 5396 51.389 75.557 31.468 1.00 0.00 WT1 H ATOM 16626 H2 TIP3 5396 51.912 75.078 30.131 1.00 0.00 WT1 H ATOM 16627 OH2 TIP3 5397 28.624 77.147 35.282 1.00 0.00 WT1 O ATOM 16628 H1 TIP3 5397 29.555 77.367 35.301 1.00 0.00 WT1 H ATOM 16629 H2 TIP3 5397 28.462 76.715 36.121 1.00 0.00 WT1 H ATOM 16630 OH2 TIP3 5398 28.036 53.461 18.541 1.00 0.00 WT1 O ATOM 16631 H1 TIP3 5398 28.450 54.052 19.171 1.00 0.00 WT1 H ATOM 16632 H2 TIP3 5398 28.689 53.352 17.850 1.00 0.00 WT1 H ATOM 16633 OH2 TIP3 5399 47.300 0.569 -1.407 1.00 0.00 WT1 O ATOM 16634 H1 TIP3 5399 46.723 -0.003 -1.914 1.00 0.00 WT1 H ATOM 16635 H2 TIP3 5399 48.155 0.482 -1.829 1.00 0.00 WT1 H ATOM 16636 OH2 TIP3 5400 30.712 28.734 6.944 1.00 0.00 WT1 O ATOM 16637 H1 TIP3 5400 30.169 27.948 6.995 1.00 0.00 WT1 H ATOM 16638 H2 TIP3 5400 30.246 29.383 7.471 1.00 0.00 WT1 H ATOM 16639 OH2 TIP3 5402 30.087 1.249 -8.457 1.00 0.00 WT1 O ATOM 16640 H1 TIP3 5402 29.202 1.432 -8.770 1.00 0.00 WT1 H ATOM 16641 H2 TIP3 5402 29.981 1.081 -7.521 1.00 0.00 WT1 H ATOM 16642 OH2 TIP3 5403 37.756 24.245 13.989 1.00 0.00 WT1 O ATOM 16643 H1 TIP3 5403 38.212 24.634 13.243 1.00 0.00 WT1 H ATOM 16644 H2 TIP3 5403 37.891 23.303 13.889 1.00 0.00 WT1 H ATOM 16645 OH2 TIP3 5404 90.359 24.287 -16.093 1.00 0.00 WT1 O ATOM 16646 H1 TIP3 5404 91.181 24.704 -15.833 1.00 0.00 WT1 H ATOM 16647 H2 TIP3 5404 90.491 24.048 -17.010 1.00 0.00 WT1 H ATOM 16648 OH2 TIP3 5406 70.454 31.031 40.142 1.00 0.00 WT1 O ATOM 16649 H1 TIP3 5406 69.945 31.077 39.333 1.00 0.00 WT1 H ATOM 16650 H2 TIP3 5406 70.210 31.820 40.625 1.00 0.00 WT1 H ATOM 16651 OH2 TIP3 5408 59.971 8.331 -12.378 1.00 0.00 WT1 O ATOM 16652 H1 TIP3 5408 60.569 8.528 -11.657 1.00 0.00 WT1 H ATOM 16653 H2 TIP3 5408 60.486 8.496 -13.168 1.00 0.00 WT1 H ATOM 16654 OH2 TIP3 5410 86.513 72.157 45.150 1.00 0.00 WT1 O ATOM 16655 H1 TIP3 5410 85.873 72.030 45.851 1.00 0.00 WT1 H ATOM 16656 H2 TIP3 5410 86.804 71.273 44.928 1.00 0.00 WT1 H ATOM 16657 OH2 TIP3 5411 22.891 83.451 21.492 1.00 0.00 WT1 O ATOM 16658 H1 TIP3 5411 22.823 82.609 21.943 1.00 0.00 WT1 H ATOM 16659 H2 TIP3 5411 23.442 83.985 22.065 1.00 0.00 WT1 H ATOM 16660 OH2 TIP3 5412 75.197 59.608 20.674 1.00 0.00 WT1 O ATOM 16661 H1 TIP3 5412 75.068 60.536 20.872 1.00 0.00 WT1 H ATOM 16662 H2 TIP3 5412 74.317 59.233 20.704 1.00 0.00 WT1 H ATOM 16663 OH2 TIP3 5413 88.547 3.192 37.493 1.00 0.00 WT1 O ATOM 16664 H1 TIP3 5413 88.785 4.100 37.310 1.00 0.00 WT1 H ATOM 16665 H2 TIP3 5413 88.826 2.709 36.714 1.00 0.00 WT1 H ATOM 16666 OH2 TIP3 5414 28.523 25.503 47.537 1.00 0.00 WT1 O ATOM 16667 H1 TIP3 5414 29.248 25.668 46.934 1.00 0.00 WT1 H ATOM 16668 H2 TIP3 5414 28.290 26.368 47.875 1.00 0.00 WT1 H ATOM 16669 OH2 TIP3 5415 30.780 52.548 -2.914 1.00 0.00 WT1 O ATOM 16670 H1 TIP3 5415 30.006 52.805 -2.414 1.00 0.00 WT1 H ATOM 16671 H2 TIP3 5415 30.846 51.602 -2.787 1.00 0.00 WT1 H ATOM 16672 OH2 TIP3 5416 82.938 31.571 61.641 1.00 0.00 WT1 O ATOM 16673 H1 TIP3 5416 83.796 31.981 61.750 1.00 0.00 WT1 H ATOM 16674 H2 TIP3 5416 82.313 32.288 61.748 1.00 0.00 WT1 H ATOM 16675 OH2 TIP3 5417 67.759 87.933 50.273 1.00 0.00 WT1 O ATOM 16676 H1 TIP3 5417 67.145 87.213 50.129 1.00 0.00 WT1 H ATOM 16677 H2 TIP3 5417 67.236 88.724 50.136 1.00 0.00 WT1 H ATOM 16678 OH2 TIP3 5418 57.803 42.802 -0.574 1.00 0.00 WT1 O ATOM 16679 H1 TIP3 5418 57.238 42.661 0.185 1.00 0.00 WT1 H ATOM 16680 H2 TIP3 5418 57.230 43.198 -1.230 1.00 0.00 WT1 H ATOM 16681 OH2 TIP3 5419 75.968 35.857 48.409 1.00 0.00 WT1 O ATOM 16682 H1 TIP3 5419 75.544 34.999 48.411 1.00 0.00 WT1 H ATOM 16683 H2 TIP3 5419 76.842 35.692 48.056 1.00 0.00 WT1 H ATOM 16684 OH2 TIP3 5420 71.418 37.572 12.751 1.00 0.00 WT1 O ATOM 16685 H1 TIP3 5420 70.820 37.837 13.449 1.00 0.00 WT1 H ATOM 16686 H2 TIP3 5420 70.871 37.539 11.966 1.00 0.00 WT1 H ATOM 16687 OH2 TIP3 5421 90.605 28.499 36.070 1.00 0.00 WT1 O ATOM 16688 H1 TIP3 5421 90.553 28.182 35.169 1.00 0.00 WT1 H ATOM 16689 H2 TIP3 5421 89.945 27.990 36.542 1.00 0.00 WT1 H ATOM 16690 OH2 TIP3 5422 37.882 76.054 -8.161 1.00 0.00 WT1 O ATOM 16691 H1 TIP3 5422 38.509 76.461 -8.759 1.00 0.00 WT1 H ATOM 16692 H2 TIP3 5422 38.424 75.583 -7.529 1.00 0.00 WT1 H ATOM 16693 OH2 TIP3 5424 32.144 94.321 1.409 1.00 0.00 WT1 O ATOM 16694 H1 TIP3 5424 32.132 93.373 1.276 1.00 0.00 WT1 H ATOM 16695 H2 TIP3 5424 33.063 94.566 1.304 1.00 0.00 WT1 H ATOM 16696 OH2 TIP3 5425 89.851 35.789 5.891 1.00 0.00 WT1 O ATOM 16697 H1 TIP3 5425 89.645 36.678 6.178 1.00 0.00 WT1 H ATOM 16698 H2 TIP3 5425 90.723 35.858 5.502 1.00 0.00 WT1 H ATOM 16699 OH2 TIP3 5426 65.960 70.597 1.619 1.00 0.00 WT1 O ATOM 16700 H1 TIP3 5426 65.624 71.421 1.972 1.00 0.00 WT1 H ATOM 16701 H2 TIP3 5426 65.200 70.184 1.210 1.00 0.00 WT1 H ATOM 16702 OH2 TIP3 5427 24.787 41.590 -9.952 1.00 0.00 WT1 O ATOM 16703 H1 TIP3 5427 25.735 41.722 -9.963 1.00 0.00 WT1 H ATOM 16704 H2 TIP3 5427 24.476 42.141 -9.234 1.00 0.00 WT1 H ATOM 16705 OH2 TIP3 5428 74.589 12.157 -13.257 1.00 0.00 WT1 O ATOM 16706 H1 TIP3 5428 74.210 11.626 -13.957 1.00 0.00 WT1 H ATOM 16707 H2 TIP3 5428 74.961 11.520 -12.647 1.00 0.00 WT1 H ATOM 16708 OH2 TIP3 5429 55.956 45.417 34.466 1.00 0.00 WT1 O ATOM 16709 H1 TIP3 5429 55.149 45.088 34.070 1.00 0.00 WT1 H ATOM 16710 H2 TIP3 5429 56.241 46.120 33.882 1.00 0.00 WT1 H ATOM 16711 OH2 TIP3 5430 87.436 87.852 -4.083 1.00 0.00 WT1 O ATOM 16712 H1 TIP3 5430 87.598 86.951 -3.804 1.00 0.00 WT1 H ATOM 16713 H2 TIP3 5430 86.488 87.960 -4.007 1.00 0.00 WT1 H ATOM 16714 OH2 TIP3 5431 81.734 37.887 19.636 1.00 0.00 WT1 O ATOM 16715 H1 TIP3 5431 81.766 38.373 18.812 1.00 0.00 WT1 H ATOM 16716 H2 TIP3 5431 80.801 37.757 19.802 1.00 0.00 WT1 H ATOM 16717 OH2 TIP3 5432 54.830 81.851 59.929 1.00 0.00 WT1 O ATOM 16718 H1 TIP3 5432 54.568 82.451 60.627 1.00 0.00 WT1 H ATOM 16719 H2 TIP3 5432 55.508 81.304 60.326 1.00 0.00 WT1 H ATOM 16720 OH2 TIP3 5433 38.217 34.126 13.475 1.00 0.00 WT1 O ATOM 16721 H1 TIP3 5433 38.395 33.521 14.195 1.00 0.00 WT1 H ATOM 16722 H2 TIP3 5433 37.615 34.771 13.846 1.00 0.00 WT1 H ATOM 16723 OH2 TIP3 5434 56.204 6.185 35.781 1.00 0.00 WT1 O ATOM 16724 H1 TIP3 5434 56.925 5.660 36.128 1.00 0.00 WT1 H ATOM 16725 H2 TIP3 5434 55.673 5.563 35.283 1.00 0.00 WT1 H ATOM 16726 OH2 TIP3 5435 52.263 21.419 38.191 1.00 0.00 WT1 O ATOM 16727 H1 TIP3 5435 53.077 20.940 38.346 1.00 0.00 WT1 H ATOM 16728 H2 TIP3 5435 51.582 20.866 38.574 1.00 0.00 WT1 H ATOM 16729 OH2 TIP3 5436 33.075 74.351 59.856 1.00 0.00 WT1 O ATOM 16730 H1 TIP3 5436 33.950 73.967 59.807 1.00 0.00 WT1 H ATOM 16731 H2 TIP3 5436 32.622 73.832 60.520 1.00 0.00 WT1 H ATOM 16732 OH2 TIP3 5437 50.229 41.641 61.553 1.00 0.00 WT1 O ATOM 16733 H1 TIP3 5437 49.485 42.174 61.274 1.00 0.00 WT1 H ATOM 16734 H2 TIP3 5437 50.921 42.275 61.741 1.00 0.00 WT1 H ATOM 16735 OH2 TIP3 5438 31.498 27.067 63.460 1.00 0.00 WT1 O ATOM 16736 H1 TIP3 5438 30.680 27.254 63.920 1.00 0.00 WT1 H ATOM 16737 H2 TIP3 5438 32.183 27.383 64.050 1.00 0.00 WT1 H ATOM 16738 OH2 TIP3 5439 68.671 43.004 32.830 1.00 0.00 WT1 O ATOM 16739 H1 TIP3 5439 68.576 42.051 32.827 1.00 0.00 WT1 H ATOM 16740 H2 TIP3 5439 69.391 43.175 32.223 1.00 0.00 WT1 H ATOM 16741 OH2 TIP3 5440 77.245 19.231 -2.707 1.00 0.00 WT1 O ATOM 16742 H1 TIP3 5440 78.035 19.737 -2.898 1.00 0.00 WT1 H ATOM 16743 H2 TIP3 5440 77.326 18.445 -3.247 1.00 0.00 WT1 H ATOM 16744 OH2 TIP3 5441 60.127 18.666 57.670 1.00 0.00 WT1 O ATOM 16745 H1 TIP3 5441 59.647 19.000 58.428 1.00 0.00 WT1 H ATOM 16746 H2 TIP3 5441 60.717 18.005 58.031 1.00 0.00 WT1 H ATOM 16747 OH2 TIP3 5442 57.635 86.152 6.360 1.00 0.00 WT1 O ATOM 16748 H1 TIP3 5442 58.096 85.317 6.432 1.00 0.00 WT1 H ATOM 16749 H2 TIP3 5442 57.897 86.641 7.140 1.00 0.00 WT1 H ATOM 16750 OH2 TIP3 5444 87.664 0.772 -14.261 1.00 0.00 WT1 O ATOM 16751 H1 TIP3 5444 87.619 0.625 -15.206 1.00 0.00 WT1 H ATOM 16752 H2 TIP3 5444 87.432 1.694 -14.149 1.00 0.00 WT1 H ATOM 16753 OH2 TIP3 5445 27.490 36.904 15.686 1.00 0.00 WT1 O ATOM 16754 H1 TIP3 5445 28.318 37.240 15.343 1.00 0.00 WT1 H ATOM 16755 H2 TIP3 5445 27.390 37.333 16.536 1.00 0.00 WT1 H ATOM 16756 OH2 TIP3 5446 49.365 18.613 -12.915 1.00 0.00 WT1 O ATOM 16757 H1 TIP3 5446 49.552 19.010 -13.766 1.00 0.00 WT1 H ATOM 16758 H2 TIP3 5446 50.098 18.017 -12.762 1.00 0.00 WT1 H ATOM 16759 OH2 TIP3 5447 68.672 80.867 56.478 1.00 0.00 WT1 O ATOM 16760 H1 TIP3 5447 68.261 80.011 56.604 1.00 0.00 WT1 H ATOM 16761 H2 TIP3 5447 69.571 80.749 56.783 1.00 0.00 WT1 H ATOM 16762 OH2 TIP3 5448 21.499 16.324 -3.760 1.00 0.00 WT1 O ATOM 16763 H1 TIP3 5448 21.947 15.570 -3.376 1.00 0.00 WT1 H ATOM 16764 H2 TIP3 5448 22.159 17.018 -3.764 1.00 0.00 WT1 H ATOM 16765 OH2 TIP3 5449 22.643 21.989 46.722 1.00 0.00 WT1 O ATOM 16766 H1 TIP3 5449 23.299 21.904 47.415 1.00 0.00 WT1 H ATOM 16767 H2 TIP3 5449 22.573 22.933 46.574 1.00 0.00 WT1 H ATOM 16768 OH2 TIP3 5450 89.991 49.215 25.660 1.00 0.00 WT1 O ATOM 16769 H1 TIP3 5450 89.397 48.830 25.015 1.00 0.00 WT1 H ATOM 16770 H2 TIP3 5450 90.293 50.027 25.253 1.00 0.00 WT1 H ATOM 16771 OH2 TIP3 5451 77.234 30.367 -6.878 1.00 0.00 WT1 O ATOM 16772 H1 TIP3 5451 78.090 30.475 -7.293 1.00 0.00 WT1 H ATOM 16773 H2 TIP3 5451 77.004 29.452 -7.037 1.00 0.00 WT1 H ATOM 16774 OH2 TIP3 5452 20.479 26.609 54.808 1.00 0.00 WT1 O ATOM 16775 H1 TIP3 5452 19.888 26.379 54.091 1.00 0.00 WT1 H ATOM 16776 H2 TIP3 5452 20.452 25.852 55.394 1.00 0.00 WT1 H ATOM 16777 OH2 TIP3 5454 61.063 36.462 0.494 1.00 0.00 WT1 O ATOM 16778 H1 TIP3 5454 61.130 36.651 1.430 1.00 0.00 WT1 H ATOM 16779 H2 TIP3 5454 60.139 36.601 0.286 1.00 0.00 WT1 H ATOM 16780 OH2 TIP3 5456 75.448 64.774 48.483 1.00 0.00 WT1 O ATOM 16781 H1 TIP3 5456 74.953 65.227 49.166 1.00 0.00 WT1 H ATOM 16782 H2 TIP3 5456 75.473 65.393 47.754 1.00 0.00 WT1 H ATOM 16783 OH2 TIP3 5458 88.734 74.094 -9.704 1.00 0.00 WT1 O ATOM 16784 H1 TIP3 5458 89.548 74.403 -9.307 1.00 0.00 WT1 H ATOM 16785 H2 TIP3 5458 88.097 74.110 -8.990 1.00 0.00 WT1 H ATOM 16786 OH2 TIP3 5459 34.559 11.842 13.737 1.00 0.00 WT1 O ATOM 16787 H1 TIP3 5459 33.920 12.539 13.883 1.00 0.00 WT1 H ATOM 16788 H2 TIP3 5459 34.538 11.690 12.792 1.00 0.00 WT1 H ATOM 16789 OH2 TIP3 5460 38.866 28.953 6.017 1.00 0.00 WT1 O ATOM 16790 H1 TIP3 5460 38.953 29.271 6.916 1.00 0.00 WT1 H ATOM 16791 H2 TIP3 5460 39.750 28.683 5.771 1.00 0.00 WT1 H ATOM 16792 OH2 TIP3 5461 83.748 19.080 -20.014 1.00 0.00 WT1 O ATOM 16793 H1 TIP3 5461 83.857 19.017 -19.065 1.00 0.00 WT1 H ATOM 16794 H2 TIP3 5461 83.672 18.172 -20.308 1.00 0.00 WT1 H ATOM 16795 OH2 TIP3 5462 61.199 2.950 -9.858 1.00 0.00 WT1 O ATOM 16796 H1 TIP3 5462 60.719 2.164 -9.598 1.00 0.00 WT1 H ATOM 16797 H2 TIP3 5462 61.204 2.923 -10.815 1.00 0.00 WT1 H ATOM 16798 OH2 TIP3 5463 85.054 7.338 -11.830 1.00 0.00 WT1 O ATOM 16799 H1 TIP3 5463 84.429 6.779 -12.292 1.00 0.00 WT1 H ATOM 16800 H2 TIP3 5463 85.559 6.735 -11.285 1.00 0.00 WT1 H ATOM 16801 OH2 TIP3 5464 33.355 55.755 -18.093 1.00 0.00 WT1 O ATOM 16802 H1 TIP3 5464 33.871 56.408 -18.565 1.00 0.00 WT1 H ATOM 16803 H2 TIP3 5464 32.450 56.052 -18.184 1.00 0.00 WT1 H ATOM 16804 OH2 TIP3 5465 46.849 61.036 6.008 1.00 0.00 WT1 O ATOM 16805 H1 TIP3 5465 47.209 60.751 5.168 1.00 0.00 WT1 H ATOM 16806 H2 TIP3 5465 47.614 61.130 6.577 1.00 0.00 WT1 H ATOM 16807 OH2 TIP3 5466 35.305 37.608 18.417 1.00 0.00 WT1 O ATOM 16808 H1 TIP3 5466 35.427 38.372 18.981 1.00 0.00 WT1 H ATOM 16809 H2 TIP3 5466 36.154 37.166 18.426 1.00 0.00 WT1 H ATOM 16810 OH2 TIP3 5467 21.698 37.904 15.240 1.00 0.00 WT1 O ATOM 16811 H1 TIP3 5467 21.640 38.154 16.162 1.00 0.00 WT1 H ATOM 16812 H2 TIP3 5467 20.804 37.662 15.000 1.00 0.00 WT1 H ATOM 16813 OH2 TIP3 5468 26.511 15.405 41.640 1.00 0.00 WT1 O ATOM 16814 H1 TIP3 5468 27.150 16.116 41.677 1.00 0.00 WT1 H ATOM 16815 H2 TIP3 5468 26.770 14.889 40.877 1.00 0.00 WT1 H ATOM 16816 OH2 TIP3 5469 80.568 13.287 -17.795 1.00 0.00 WT1 O ATOM 16817 H1 TIP3 5469 79.830 13.605 -18.316 1.00 0.00 WT1 H ATOM 16818 H2 TIP3 5469 80.165 12.763 -17.103 1.00 0.00 WT1 H ATOM 16819 OH2 TIP3 5471 71.584 33.824 38.314 1.00 0.00 WT1 O ATOM 16820 H1 TIP3 5471 71.241 34.375 37.610 1.00 0.00 WT1 H ATOM 16821 H2 TIP3 5471 71.487 32.930 37.987 1.00 0.00 WT1 H ATOM 16822 OH2 TIP3 5474 68.363 84.263 43.919 1.00 0.00 WT1 O ATOM 16823 H1 TIP3 5474 68.441 83.723 44.706 1.00 0.00 WT1 H ATOM 16824 H2 TIP3 5474 67.528 84.002 43.530 1.00 0.00 WT1 H ATOM 16825 OH2 TIP3 5476 65.042 68.653 14.584 1.00 0.00 WT1 O ATOM 16826 H1 TIP3 5476 64.774 67.937 14.008 1.00 0.00 WT1 H ATOM 16827 H2 TIP3 5476 65.771 68.294 15.090 1.00 0.00 WT1 H ATOM 16828 OH2 TIP3 5477 86.343 45.116 19.845 1.00 0.00 WT1 O ATOM 16829 H1 TIP3 5477 86.691 44.785 19.017 1.00 0.00 WT1 H ATOM 16830 H2 TIP3 5477 86.133 46.033 19.668 1.00 0.00 WT1 H ATOM 16831 OH2 TIP3 5478 37.306 3.576 60.324 1.00 0.00 WT1 O ATOM 16832 H1 TIP3 5478 36.736 4.343 60.364 1.00 0.00 WT1 H ATOM 16833 H2 TIP3 5478 37.800 3.686 59.511 1.00 0.00 WT1 H ATOM 16834 OH2 TIP3 5479 65.919 95.767 54.466 1.00 0.00 WT1 O ATOM 16835 H1 TIP3 5479 66.741 96.252 54.395 1.00 0.00 WT1 H ATOM 16836 H2 TIP3 5479 66.161 94.946 54.894 1.00 0.00 WT1 H ATOM 16837 OH2 TIP3 5480 72.726 80.476 62.578 1.00 0.00 WT1 O ATOM 16838 H1 TIP3 5480 73.207 79.887 61.997 1.00 0.00 WT1 H ATOM 16839 H2 TIP3 5480 73.280 81.253 62.645 1.00 0.00 WT1 H ATOM 16840 OH2 TIP3 5481 75.587 87.243 26.622 1.00 0.00 WT1 O ATOM 16841 H1 TIP3 5481 75.359 88.171 26.668 1.00 0.00 WT1 H ATOM 16842 H2 TIP3 5481 75.138 86.848 27.370 1.00 0.00 WT1 H ATOM 16843 OH2 TIP3 5482 78.926 68.732 -19.344 1.00 0.00 WT1 O ATOM 16844 H1 TIP3 5482 79.428 67.955 -19.589 1.00 0.00 WT1 H ATOM 16845 H2 TIP3 5482 78.059 68.588 -19.724 1.00 0.00 WT1 H ATOM 16846 OH2 TIP3 5483 73.167 33.498 6.338 1.00 0.00 WT1 O ATOM 16847 H1 TIP3 5483 72.304 33.894 6.214 1.00 0.00 WT1 H ATOM 16848 H2 TIP3 5483 73.351 33.612 7.270 1.00 0.00 WT1 H ATOM 16849 OH2 TIP3 5484 52.035 94.338 63.871 1.00 0.00 WT1 O ATOM 16850 H1 TIP3 5484 51.458 94.994 63.480 1.00 0.00 WT1 H ATOM 16851 H2 TIP3 5484 52.612 94.838 64.447 1.00 0.00 WT1 H ATOM 16852 OH2 TIP3 5485 64.735 26.802 16.439 1.00 0.00 WT1 O ATOM 16853 H1 TIP3 5485 65.020 27.594 15.984 1.00 0.00 WT1 H ATOM 16854 H2 TIP3 5485 64.380 27.117 17.270 1.00 0.00 WT1 H ATOM 16855 OH2 TIP3 5486 76.470 33.541 12.851 1.00 0.00 WT1 O ATOM 16856 H1 TIP3 5486 76.066 34.259 13.338 1.00 0.00 WT1 H ATOM 16857 H2 TIP3 5486 77.331 33.432 13.255 1.00 0.00 WT1 H ATOM 16858 OH2 TIP3 5487 65.876 41.674 67.132 1.00 0.00 WT1 O ATOM 16859 H1 TIP3 5487 66.686 41.820 67.621 1.00 0.00 WT1 H ATOM 16860 H2 TIP3 5487 65.887 40.740 66.923 1.00 0.00 WT1 H ATOM 16861 OH2 TIP3 5488 87.498 33.028 15.468 1.00 0.00 WT1 O ATOM 16862 H1 TIP3 5488 87.727 32.126 15.690 1.00 0.00 WT1 H ATOM 16863 H2 TIP3 5488 86.615 32.970 15.105 1.00 0.00 WT1 H ATOM 16864 OH2 TIP3 5489 71.085 27.111 21.303 1.00 0.00 WT1 O ATOM 16865 H1 TIP3 5489 70.997 26.201 21.586 1.00 0.00 WT1 H ATOM 16866 H2 TIP3 5489 72.029 27.268 21.289 1.00 0.00 WT1 H ATOM 16867 OH2 TIP3 5491 81.876 57.992 47.688 1.00 0.00 WT1 O ATOM 16868 H1 TIP3 5491 81.404 58.761 48.008 1.00 0.00 WT1 H ATOM 16869 H2 TIP3 5491 81.198 57.439 47.300 1.00 0.00 WT1 H ATOM 16870 OH2 TIP3 5492 82.493 94.624 30.005 1.00 0.00 WT1 O ATOM 16871 H1 TIP3 5492 82.703 94.309 29.125 1.00 0.00 WT1 H ATOM 16872 H2 TIP3 5492 83.326 94.588 30.477 1.00 0.00 WT1 H ATOM 16873 OH2 TIP3 5493 50.556 38.282 -6.192 1.00 0.00 WT1 O ATOM 16874 H1 TIP3 5493 51.053 37.545 -6.547 1.00 0.00 WT1 H ATOM 16875 H2 TIP3 5493 50.921 39.051 -6.629 1.00 0.00 WT1 H ATOM 16876 OH2 TIP3 5494 80.516 63.008 53.681 1.00 0.00 WT1 O ATOM 16877 H1 TIP3 5494 80.236 62.111 53.865 1.00 0.00 WT1 H ATOM 16878 H2 TIP3 5494 80.136 63.208 52.826 1.00 0.00 WT1 H ATOM 16879 OH2 TIP3 5495 63.924 50.009 35.984 1.00 0.00 WT1 O ATOM 16880 H1 TIP3 5495 63.784 49.480 35.199 1.00 0.00 WT1 H ATOM 16881 H2 TIP3 5495 63.132 50.541 36.059 1.00 0.00 WT1 H ATOM 16882 OH2 TIP3 5496 54.403 92.273 -3.196 1.00 0.00 WT1 O ATOM 16883 H1 TIP3 5496 53.623 92.756 -3.469 1.00 0.00 WT1 H ATOM 16884 H2 TIP3 5496 54.071 91.590 -2.613 1.00 0.00 WT1 H ATOM 16885 OH2 TIP3 5497 73.436 84.683 4.627 1.00 0.00 WT1 O ATOM 16886 H1 TIP3 5497 73.409 84.602 3.673 1.00 0.00 WT1 H ATOM 16887 H2 TIP3 5497 72.516 84.732 4.889 1.00 0.00 WT1 H ATOM 16888 OH2 TIP3 5498 40.362 86.910 4.063 1.00 0.00 WT1 O ATOM 16889 H1 TIP3 5498 40.796 86.255 4.610 1.00 0.00 WT1 H ATOM 16890 H2 TIP3 5498 39.682 87.280 4.625 1.00 0.00 WT1 H ATOM 16891 OH2 TIP3 5500 36.630 43.928 55.752 1.00 0.00 WT1 O ATOM 16892 H1 TIP3 5500 35.697 43.992 55.548 1.00 0.00 WT1 H ATOM 16893 H2 TIP3 5500 36.685 43.228 56.403 1.00 0.00 WT1 H ATOM 16894 OH2 TIP3 5503 75.303 76.635 52.417 1.00 0.00 WT1 O ATOM 16895 H1 TIP3 5503 75.781 75.816 52.546 1.00 0.00 WT1 H ATOM 16896 H2 TIP3 5503 75.682 77.012 51.623 1.00 0.00 WT1 H ATOM 16897 OH2 TIP3 5504 62.281 25.114 16.416 1.00 0.00 WT1 O ATOM 16898 H1 TIP3 5504 63.063 25.654 16.302 1.00 0.00 WT1 H ATOM 16899 H2 TIP3 5504 61.551 25.709 16.242 1.00 0.00 WT1 H ATOM 16900 OH2 TIP3 5505 88.483 44.826 -1.670 1.00 0.00 WT1 O ATOM 16901 H1 TIP3 5505 88.284 45.288 -0.856 1.00 0.00 WT1 H ATOM 16902 H2 TIP3 5505 87.854 45.172 -2.303 1.00 0.00 WT1 H ATOM 16903 OH2 TIP3 5506 50.255 9.815 -2.666 1.00 0.00 WT1 O ATOM 16904 H1 TIP3 5506 49.705 10.566 -2.889 1.00 0.00 WT1 H ATOM 16905 H2 TIP3 5506 49.808 9.401 -1.927 1.00 0.00 WT1 H ATOM 16906 OH2 TIP3 5507 31.045 36.233 27.780 1.00 0.00 WT1 O ATOM 16907 H1 TIP3 5507 31.451 35.772 27.046 1.00 0.00 WT1 H ATOM 16908 H2 TIP3 5507 30.104 36.139 27.631 1.00 0.00 WT1 H ATOM 16909 OH2 TIP3 5510 22.192 84.123 -11.683 1.00 0.00 WT1 O ATOM 16910 H1 TIP3 5510 22.948 83.662 -11.319 1.00 0.00 WT1 H ATOM 16911 H2 TIP3 5510 22.190 84.970 -11.237 1.00 0.00 WT1 H ATOM 16912 OH2 TIP3 5511 61.610 15.957 4.296 1.00 0.00 WT1 O ATOM 16913 H1 TIP3 5511 60.715 15.868 3.968 1.00 0.00 WT1 H ATOM 16914 H2 TIP3 5511 61.512 16.032 5.245 1.00 0.00 WT1 H ATOM 16915 OH2 TIP3 5512 44.888 34.498 41.847 1.00 0.00 WT1 O ATOM 16916 H1 TIP3 5512 45.539 34.777 41.203 1.00 0.00 WT1 H ATOM 16917 H2 TIP3 5512 45.400 34.275 42.624 1.00 0.00 WT1 H ATOM 16918 OH2 TIP3 5513 81.988 20.919 39.331 1.00 0.00 WT1 O ATOM 16919 H1 TIP3 5513 81.608 21.763 39.577 1.00 0.00 WT1 H ATOM 16920 H2 TIP3 5513 82.487 21.104 38.535 1.00 0.00 WT1 H ATOM 16921 OH2 TIP3 5515 70.908 43.122 16.376 1.00 0.00 WT1 O ATOM 16922 H1 TIP3 5515 71.242 43.926 15.979 1.00 0.00 WT1 H ATOM 16923 H2 TIP3 5515 69.956 43.212 16.338 1.00 0.00 WT1 H ATOM 16924 OH2 TIP3 5516 22.988 53.925 29.934 1.00 0.00 WT1 O ATOM 16925 H1 TIP3 5516 22.914 53.514 29.073 1.00 0.00 WT1 H ATOM 16926 H2 TIP3 5516 22.090 54.159 30.167 1.00 0.00 WT1 H ATOM 16927 OH2 TIP3 5517 24.435 40.942 16.092 1.00 0.00 WT1 O ATOM 16928 H1 TIP3 5517 24.775 41.647 15.540 1.00 0.00 WT1 H ATOM 16929 H2 TIP3 5517 24.557 40.149 15.571 1.00 0.00 WT1 H ATOM 16930 OH2 TIP3 5519 62.099 17.348 59.596 1.00 0.00 WT1 O ATOM 16931 H1 TIP3 5519 61.941 16.436 59.838 1.00 0.00 WT1 H ATOM 16932 H2 TIP3 5519 62.676 17.298 58.833 1.00 0.00 WT1 H ATOM 16933 OH2 TIP3 5521 21.397 69.166 12.309 1.00 0.00 WT1 O ATOM 16934 H1 TIP3 5521 21.088 68.803 11.479 1.00 0.00 WT1 H ATOM 16935 H2 TIP3 5521 21.753 68.415 12.782 1.00 0.00 WT1 H ATOM 16936 OH2 TIP3 5522 44.936 43.525 5.262 1.00 0.00 WT1 O ATOM 16937 H1 TIP3 5522 44.136 44.031 5.406 1.00 0.00 WT1 H ATOM 16938 H2 TIP3 5522 45.510 43.772 5.987 1.00 0.00 WT1 H ATOM 16939 OH2 TIP3 5523 84.898 85.138 -17.679 1.00 0.00 WT1 O ATOM 16940 H1 TIP3 5523 85.817 85.397 -17.740 1.00 0.00 WT1 H ATOM 16941 H2 TIP3 5523 84.808 84.778 -16.796 1.00 0.00 WT1 H ATOM 16942 OH2 TIP3 5524 73.314 22.828 7.984 1.00 0.00 WT1 O ATOM 16943 H1 TIP3 5524 72.763 22.801 7.202 1.00 0.00 WT1 H ATOM 16944 H2 TIP3 5524 74.142 22.433 7.708 1.00 0.00 WT1 H ATOM 16945 OH2 TIP3 5525 44.927 12.927 -17.477 1.00 0.00 WT1 O ATOM 16946 H1 TIP3 5525 45.741 12.820 -16.985 1.00 0.00 WT1 H ATOM 16947 H2 TIP3 5525 44.684 12.038 -17.737 1.00 0.00 WT1 H ATOM 16948 OH2 TIP3 5526 75.868 51.180 40.143 1.00 0.00 WT1 O ATOM 16949 H1 TIP3 5526 75.412 51.904 39.713 1.00 0.00 WT1 H ATOM 16950 H2 TIP3 5526 76.797 51.386 40.038 1.00 0.00 WT1 H ATOM 16951 OH2 TIP3 5527 61.341 36.300 59.956 1.00 0.00 WT1 O ATOM 16952 H1 TIP3 5527 60.421 36.382 59.707 1.00 0.00 WT1 H ATOM 16953 H2 TIP3 5527 61.530 37.100 60.445 1.00 0.00 WT1 H ATOM 16954 OH2 TIP3 5528 76.689 39.117 6.996 1.00 0.00 WT1 O ATOM 16955 H1 TIP3 5528 76.119 38.595 6.431 1.00 0.00 WT1 H ATOM 16956 H2 TIP3 5528 76.105 39.467 7.668 1.00 0.00 WT1 H ATOM 16957 OH2 TIP3 5529 68.342 49.729 44.279 1.00 0.00 WT1 O ATOM 16958 H1 TIP3 5529 67.928 48.997 43.822 1.00 0.00 WT1 H ATOM 16959 H2 TIP3 5529 68.545 50.359 43.588 1.00 0.00 WT1 H ATOM 16960 OH2 TIP3 5530 69.674 26.908 24.756 1.00 0.00 WT1 O ATOM 16961 H1 TIP3 5530 70.335 27.207 25.381 1.00 0.00 WT1 H ATOM 16962 H2 TIP3 5530 69.607 27.620 24.119 1.00 0.00 WT1 H ATOM 16963 OH2 TIP3 5531 48.515 7.263 45.966 1.00 0.00 WT1 O ATOM 16964 H1 TIP3 5531 48.501 6.353 46.260 1.00 0.00 WT1 H ATOM 16965 H2 TIP3 5531 47.888 7.709 46.535 1.00 0.00 WT1 H ATOM 16966 OH2 TIP3 5532 88.001 38.722 65.008 1.00 0.00 WT1 O ATOM 16967 H1 TIP3 5532 87.242 39.276 64.827 1.00 0.00 WT1 H ATOM 16968 H2 TIP3 5532 87.633 37.850 65.153 1.00 0.00 WT1 H ATOM 16969 OH2 TIP3 5533 25.468 76.974 -10.291 1.00 0.00 WT1 O ATOM 16970 H1 TIP3 5533 25.411 77.519 -9.506 1.00 0.00 WT1 H ATOM 16971 H2 TIP3 5533 26.401 76.956 -10.504 1.00 0.00 WT1 H ATOM 16972 OH2 TIP3 5534 85.683 27.938 36.328 1.00 0.00 WT1 O ATOM 16973 H1 TIP3 5534 85.732 27.556 37.204 1.00 0.00 WT1 H ATOM 16974 H2 TIP3 5534 84.761 27.857 36.083 1.00 0.00 WT1 H ATOM 16975 OH2 TIP3 5535 31.337 70.580 45.417 1.00 0.00 WT1 O ATOM 16976 H1 TIP3 5535 31.423 71.114 44.627 1.00 0.00 WT1 H ATOM 16977 H2 TIP3 5535 31.569 71.172 46.133 1.00 0.00 WT1 H ATOM 16978 OH2 TIP3 5536 37.149 50.694 7.402 1.00 0.00 WT1 O ATOM 16979 H1 TIP3 5536 36.456 50.557 6.757 1.00 0.00 WT1 H ATOM 16980 H2 TIP3 5536 37.931 50.318 6.998 1.00 0.00 WT1 H ATOM 16981 OH2 TIP3 5538 78.677 19.806 -12.082 1.00 0.00 WT1 O ATOM 16982 H1 TIP3 5538 79.046 19.812 -11.198 1.00 0.00 WT1 H ATOM 16983 H2 TIP3 5538 79.061 20.573 -12.507 1.00 0.00 WT1 H ATOM 16984 OH2 TIP3 5543 31.646 49.465 64.491 1.00 0.00 WT1 O ATOM 16985 H1 TIP3 5543 30.954 50.000 64.878 1.00 0.00 WT1 H ATOM 16986 H2 TIP3 5543 32.407 49.613 65.053 1.00 0.00 WT1 H ATOM 16987 OH2 TIP3 5544 74.214 62.520 41.022 1.00 0.00 WT1 O ATOM 16988 H1 TIP3 5544 73.740 63.174 41.536 1.00 0.00 WT1 H ATOM 16989 H2 TIP3 5544 73.563 61.842 40.839 1.00 0.00 WT1 H ATOM 16990 OH2 TIP3 5545 47.632 7.725 16.319 1.00 0.00 WT1 O ATOM 16991 H1 TIP3 5545 47.722 8.470 16.914 1.00 0.00 WT1 H ATOM 16992 H2 TIP3 5545 46.792 7.331 16.553 1.00 0.00 WT1 H ATOM 16993 OH2 TIP3 5547 54.617 44.190 0.791 1.00 0.00 WT1 O ATOM 16994 H1 TIP3 5547 55.273 44.854 0.580 1.00 0.00 WT1 H ATOM 16995 H2 TIP3 5547 54.633 44.131 1.746 1.00 0.00 WT1 H ATOM 16996 OH2 TIP3 5548 67.785 83.095 -5.208 1.00 0.00 WT1 O ATOM 16997 H1 TIP3 5548 68.709 82.883 -5.340 1.00 0.00 WT1 H ATOM 16998 H2 TIP3 5548 67.665 83.060 -4.259 1.00 0.00 WT1 H ATOM 16999 OH2 TIP3 5549 55.879 51.495 2.906 1.00 0.00 WT1 O ATOM 17000 H1 TIP3 5549 55.025 51.082 3.038 1.00 0.00 WT1 H ATOM 17001 H2 TIP3 5549 55.703 52.434 2.967 1.00 0.00 WT1 H ATOM 17002 OH2 TIP3 5550 61.014 14.559 30.021 1.00 0.00 WT1 O ATOM 17003 H1 TIP3 5550 61.394 14.999 30.782 1.00 0.00 WT1 H ATOM 17004 H2 TIP3 5550 60.711 15.272 29.459 1.00 0.00 WT1 H ATOM 17005 OH2 TIP3 5551 45.951 22.429 -4.860 1.00 0.00 WT1 O ATOM 17006 H1 TIP3 5551 46.221 23.338 -4.735 1.00 0.00 WT1 H ATOM 17007 H2 TIP3 5551 46.694 22.017 -5.302 1.00 0.00 WT1 H ATOM 17008 OH2 TIP3 5552 35.346 26.620 -7.093 1.00 0.00 WT1 O ATOM 17009 H1 TIP3 5552 35.650 26.746 -6.195 1.00 0.00 WT1 H ATOM 17010 H2 TIP3 5552 35.174 25.680 -7.158 1.00 0.00 WT1 H ATOM 17011 OH2 TIP3 5553 60.280 38.883 -19.780 1.00 0.00 WT1 O ATOM 17012 H1 TIP3 5553 59.834 38.521 -19.014 1.00 0.00 WT1 H ATOM 17013 H2 TIP3 5553 60.206 39.832 -19.674 1.00 0.00 WT1 H ATOM 17014 OH2 TIP3 5554 72.271 62.595 48.488 1.00 0.00 WT1 O ATOM 17015 H1 TIP3 5554 71.393 62.476 48.126 1.00 0.00 WT1 H ATOM 17016 H2 TIP3 5554 72.725 63.137 47.842 1.00 0.00 WT1 H ATOM 17017 OH2 TIP3 5555 53.588 6.920 5.414 1.00 0.00 WT1 O ATOM 17018 H1 TIP3 5555 53.277 7.527 6.085 1.00 0.00 WT1 H ATOM 17019 H2 TIP3 5555 53.432 6.052 5.785 1.00 0.00 WT1 H ATOM 17020 OH2 TIP3 5556 37.684 78.198 23.909 1.00 0.00 WT1 O ATOM 17021 H1 TIP3 5556 37.807 79.116 24.149 1.00 0.00 WT1 H ATOM 17022 H2 TIP3 5556 38.496 77.955 23.464 1.00 0.00 WT1 H ATOM 17023 OH2 TIP3 5558 56.279 63.354 17.257 1.00 0.00 WT1 O ATOM 17024 H1 TIP3 5558 55.558 63.140 16.665 1.00 0.00 WT1 H ATOM 17025 H2 TIP3 5558 56.625 62.505 17.530 1.00 0.00 WT1 H ATOM 17026 OH2 TIP3 5559 41.881 89.212 6.598 1.00 0.00 WT1 O ATOM 17027 H1 TIP3 5559 41.974 90.017 6.088 1.00 0.00 WT1 H ATOM 17028 H2 TIP3 5559 42.711 88.753 6.475 1.00 0.00 WT1 H ATOM 17029 OH2 TIP3 5561 32.545 58.900 55.369 1.00 0.00 WT1 O ATOM 17030 H1 TIP3 5561 31.748 58.659 54.898 1.00 0.00 WT1 H ATOM 17031 H2 TIP3 5561 32.765 58.123 55.883 1.00 0.00 WT1 H ATOM 17032 OH2 TIP3 5563 56.617 88.175 38.996 1.00 0.00 WT1 O ATOM 17033 H1 TIP3 5563 56.825 88.759 39.724 1.00 0.00 WT1 H ATOM 17034 H2 TIP3 5563 57.226 87.443 39.094 1.00 0.00 WT1 H ATOM 17035 OH2 TIP3 5564 47.286 46.867 43.732 1.00 0.00 WT1 O ATOM 17036 H1 TIP3 5564 47.217 47.728 43.320 1.00 0.00 WT1 H ATOM 17037 H2 TIP3 5564 46.478 46.417 43.485 1.00 0.00 WT1 H ATOM 17038 OH2 TIP3 5565 85.779 43.836 0.972 1.00 0.00 WT1 O ATOM 17039 H1 TIP3 5565 84.958 44.266 1.214 1.00 0.00 WT1 H ATOM 17040 H2 TIP3 5565 85.798 43.040 1.503 1.00 0.00 WT1 H ATOM 17041 OH2 TIP3 5566 25.835 34.034 55.066 1.00 0.00 WT1 O ATOM 17042 H1 TIP3 5566 25.815 34.898 55.476 1.00 0.00 WT1 H ATOM 17043 H2 TIP3 5566 26.106 34.202 54.163 1.00 0.00 WT1 H ATOM 17044 OH2 TIP3 5567 60.664 59.150 50.011 1.00 0.00 WT1 O ATOM 17045 H1 TIP3 5567 59.916 58.932 49.455 1.00 0.00 WT1 H ATOM 17046 H2 TIP3 5567 60.470 58.732 50.850 1.00 0.00 WT1 H ATOM 17047 OH2 TIP3 5568 41.337 69.300 -13.652 1.00 0.00 WT1 O ATOM 17048 H1 TIP3 5568 40.692 68.739 -13.221 1.00 0.00 WT1 H ATOM 17049 H2 TIP3 5568 41.893 68.695 -14.143 1.00 0.00 WT1 H ATOM 17050 OH2 TIP3 5569 40.663 41.077 55.637 1.00 0.00 WT1 O ATOM 17051 H1 TIP3 5569 41.041 41.355 56.472 1.00 0.00 WT1 H ATOM 17052 H2 TIP3 5569 41.414 40.999 55.049 1.00 0.00 WT1 H ATOM 17053 OH2 TIP3 5570 64.760 32.786 -11.012 1.00 0.00 WT1 O ATOM 17054 H1 TIP3 5570 65.058 33.678 -11.192 1.00 0.00 WT1 H ATOM 17055 H2 TIP3 5570 63.984 32.898 -10.464 1.00 0.00 WT1 H ATOM 17056 OH2 TIP3 5571 74.987 17.106 11.385 1.00 0.00 WT1 O ATOM 17057 H1 TIP3 5571 75.633 16.789 10.754 1.00 0.00 WT1 H ATOM 17058 H2 TIP3 5571 75.097 18.057 11.385 1.00 0.00 WT1 H ATOM 17059 OH2 TIP3 5572 75.168 70.723 -8.220 1.00 0.00 WT1 O ATOM 17060 H1 TIP3 5572 74.427 71.081 -7.732 1.00 0.00 WT1 H ATOM 17061 H2 TIP3 5572 74.889 69.841 -8.467 1.00 0.00 WT1 H ATOM 17062 OH2 TIP3 5573 45.172 65.206 52.909 1.00 0.00 WT1 O ATOM 17063 H1 TIP3 5573 45.542 66.087 52.969 1.00 0.00 WT1 H ATOM 17064 H2 TIP3 5573 45.617 64.809 52.160 1.00 0.00 WT1 H ATOM 17065 OH2 TIP3 5575 29.204 3.909 47.541 1.00 0.00 WT1 O ATOM 17066 H1 TIP3 5575 29.522 4.693 47.989 1.00 0.00 WT1 H ATOM 17067 H2 TIP3 5575 29.764 3.829 46.769 1.00 0.00 WT1 H ATOM 17068 OH2 TIP3 5576 31.026 56.522 35.507 1.00 0.00 WT1 O ATOM 17069 H1 TIP3 5576 31.064 56.707 34.569 1.00 0.00 WT1 H ATOM 17070 H2 TIP3 5576 30.306 57.064 35.830 1.00 0.00 WT1 H ATOM 17071 OH2 TIP3 5577 29.635 52.979 6.204 1.00 0.00 WT1 O ATOM 17072 H1 TIP3 5577 29.576 53.879 5.881 1.00 0.00 WT1 H ATOM 17073 H2 TIP3 5577 28.790 52.820 6.625 1.00 0.00 WT1 H ATOM 17074 OH2 TIP3 5579 37.828 32.807 16.060 1.00 0.00 WT1 O ATOM 17075 H1 TIP3 5579 38.686 32.857 16.483 1.00 0.00 WT1 H ATOM 17076 H2 TIP3 5579 37.852 31.989 15.564 1.00 0.00 WT1 H ATOM 17077 OH2 TIP3 5581 20.509 52.275 28.405 1.00 0.00 WT1 O ATOM 17078 H1 TIP3 5581 20.800 52.640 29.241 1.00 0.00 WT1 H ATOM 17079 H2 TIP3 5581 21.018 52.749 27.746 1.00 0.00 WT1 H ATOM 17080 OH2 TIP3 5584 20.929 80.123 44.119 1.00 0.00 WT1 O ATOM 17081 H1 TIP3 5584 20.105 80.433 44.493 1.00 0.00 WT1 H ATOM 17082 H2 TIP3 5584 21.546 80.839 44.269 1.00 0.00 WT1 H ATOM 17083 OH2 TIP3 5585 56.710 38.124 49.349 1.00 0.00 WT1 O ATOM 17084 H1 TIP3 5585 56.402 38.799 48.745 1.00 0.00 WT1 H ATOM 17085 H2 TIP3 5585 57.663 38.216 49.346 1.00 0.00 WT1 H ATOM 17086 OH2 TIP3 5587 58.044 44.340 36.423 1.00 0.00 WT1 O ATOM 17087 H1 TIP3 5587 57.410 45.008 36.162 1.00 0.00 WT1 H ATOM 17088 H2 TIP3 5587 58.874 44.636 36.049 1.00 0.00 WT1 H ATOM 17089 OH2 TIP3 5589 84.190 12.002 6.071 1.00 0.00 WT1 O ATOM 17090 H1 TIP3 5589 84.880 12.470 5.601 1.00 0.00 WT1 H ATOM 17091 H2 TIP3 5589 83.735 11.502 5.394 1.00 0.00 WT1 H ATOM 17092 OH2 TIP3 5590 29.873 17.230 3.576 1.00 0.00 WT1 O ATOM 17093 H1 TIP3 5590 29.824 17.955 4.199 1.00 0.00 WT1 H ATOM 17094 H2 TIP3 5590 30.670 17.400 3.072 1.00 0.00 WT1 H ATOM 17095 OH2 TIP3 5591 56.734 68.459 -13.995 1.00 0.00 WT1 O ATOM 17096 H1 TIP3 5591 56.852 68.490 -13.046 1.00 0.00 WT1 H ATOM 17097 H2 TIP3 5591 57.550 68.085 -14.327 1.00 0.00 WT1 H ATOM 17098 OH2 TIP3 5592 84.803 17.896 4.246 1.00 0.00 WT1 O ATOM 17099 H1 TIP3 5592 84.658 18.618 3.634 1.00 0.00 WT1 H ATOM 17100 H2 TIP3 5592 85.058 18.322 5.064 1.00 0.00 WT1 H ATOM 17101 OH2 TIP3 5595 63.721 35.997 62.113 1.00 0.00 WT1 O ATOM 17102 H1 TIP3 5595 64.539 36.246 61.682 1.00 0.00 WT1 H ATOM 17103 H2 TIP3 5595 63.129 36.731 61.945 1.00 0.00 WT1 H ATOM 17104 OH2 TIP3 5596 40.052 76.201 15.611 1.00 0.00 WT1 O ATOM 17105 H1 TIP3 5596 40.773 76.182 16.240 1.00 0.00 WT1 H ATOM 17106 H2 TIP3 5596 39.579 77.008 15.812 1.00 0.00 WT1 H ATOM 17107 OH2 TIP3 5597 55.103 53.651 18.743 1.00 0.00 WT1 O ATOM 17108 H1 TIP3 5597 54.942 52.734 18.521 1.00 0.00 WT1 H ATOM 17109 H2 TIP3 5597 54.266 53.967 19.082 1.00 0.00 WT1 H ATOM 17110 OH2 TIP3 5598 73.508 25.361 -8.991 1.00 0.00 WT1 O ATOM 17111 H1 TIP3 5598 74.252 25.088 -9.528 1.00 0.00 WT1 H ATOM 17112 H2 TIP3 5598 72.828 24.714 -9.178 1.00 0.00 WT1 H ATOM 17113 OH2 TIP3 5605 62.450 50.186 25.415 1.00 0.00 WT1 O ATOM 17114 H1 TIP3 5605 61.676 49.821 24.986 1.00 0.00 WT1 H ATOM 17115 H2 TIP3 5605 62.136 50.477 26.271 1.00 0.00 WT1 H ATOM 17116 OH2 TIP3 5606 44.096 17.557 -6.003 1.00 0.00 WT1 O ATOM 17117 H1 TIP3 5606 43.708 17.635 -5.131 1.00 0.00 WT1 H ATOM 17118 H2 TIP3 5606 43.863 18.374 -6.443 1.00 0.00 WT1 H ATOM 17119 OH2 TIP3 5607 47.242 37.626 -19.282 1.00 0.00 WT1 O ATOM 17120 H1 TIP3 5607 47.936 38.159 -18.893 1.00 0.00 WT1 H ATOM 17121 H2 TIP3 5607 47.698 37.047 -19.893 1.00 0.00 WT1 H ATOM 17122 OH2 TIP3 5608 49.791 13.560 -18.047 1.00 0.00 WT1 O ATOM 17123 H1 TIP3 5608 50.032 14.464 -18.250 1.00 0.00 WT1 H ATOM 17124 H2 TIP3 5608 48.910 13.460 -18.409 1.00 0.00 WT1 H ATOM 17125 OH2 TIP3 5609 88.025 40.088 54.514 1.00 0.00 WT1 O ATOM 17126 H1 TIP3 5609 87.503 39.896 55.293 1.00 0.00 WT1 H ATOM 17127 H2 TIP3 5609 87.713 40.944 54.221 1.00 0.00 WT1 H ATOM 17128 OH2 TIP3 5610 66.925 41.476 -7.458 1.00 0.00 WT1 O ATOM 17129 H1 TIP3 5610 66.392 40.683 -7.518 1.00 0.00 WT1 H ATOM 17130 H2 TIP3 5610 66.309 42.160 -7.198 1.00 0.00 WT1 H ATOM 17131 OH2 TIP3 5611 71.658 28.998 59.117 1.00 0.00 WT1 O ATOM 17132 H1 TIP3 5611 72.377 28.382 58.980 1.00 0.00 WT1 H ATOM 17133 H2 TIP3 5611 71.782 29.317 60.011 1.00 0.00 WT1 H ATOM 17134 OH2 TIP3 5612 63.111 66.671 42.818 1.00 0.00 WT1 O ATOM 17135 H1 TIP3 5612 62.578 66.008 43.258 1.00 0.00 WT1 H ATOM 17136 H2 TIP3 5612 63.908 66.207 42.561 1.00 0.00 WT1 H ATOM 17137 OH2 TIP3 5613 71.400 35.664 46.303 1.00 0.00 WT1 O ATOM 17138 H1 TIP3 5613 72.088 36.329 46.336 1.00 0.00 WT1 H ATOM 17139 H2 TIP3 5613 71.872 34.836 46.210 1.00 0.00 WT1 H ATOM 17140 OH2 TIP3 5614 46.217 76.342 16.087 1.00 0.00 WT1 O ATOM 17141 H1 TIP3 5614 47.167 76.273 16.182 1.00 0.00 WT1 H ATOM 17142 H2 TIP3 5614 45.865 75.903 16.861 1.00 0.00 WT1 H ATOM 17143 OH2 TIP3 5615 69.738 57.928 23.044 1.00 0.00 WT1 O ATOM 17144 H1 TIP3 5615 69.180 57.721 22.294 1.00 0.00 WT1 H ATOM 17145 H2 TIP3 5615 69.338 57.459 23.777 1.00 0.00 WT1 H ATOM 17146 OH2 TIP3 5616 29.126 81.455 -10.658 1.00 0.00 WT1 O ATOM 17147 H1 TIP3 5616 28.223 81.672 -10.890 1.00 0.00 WT1 H ATOM 17148 H2 TIP3 5616 29.476 82.259 -10.275 1.00 0.00 WT1 H ATOM 17149 OH2 TIP3 5618 54.334 39.604 -3.981 1.00 0.00 WT1 O ATOM 17150 H1 TIP3 5618 54.846 39.718 -3.181 1.00 0.00 WT1 H ATOM 17151 H2 TIP3 5618 54.711 38.830 -4.399 1.00 0.00 WT1 H ATOM 17152 OH2 TIP3 5626 71.775 54.891 61.165 1.00 0.00 WT1 O ATOM 17153 H1 TIP3 5626 71.125 55.361 60.641 1.00 0.00 WT1 H ATOM 17154 H2 TIP3 5626 71.431 54.923 62.058 1.00 0.00 WT1 H ATOM 17155 OH2 TIP3 5630 53.902 20.774 34.949 1.00 0.00 WT1 O ATOM 17156 H1 TIP3 5630 53.456 19.995 35.283 1.00 0.00 WT1 H ATOM 17157 H2 TIP3 5630 53.374 21.048 34.198 1.00 0.00 WT1 H ATOM 17158 OH2 TIP3 5631 88.355 21.399 0.260 1.00 0.00 WT1 O ATOM 17159 H1 TIP3 5631 88.748 22.271 0.279 1.00 0.00 WT1 H ATOM 17160 H2 TIP3 5631 87.770 21.383 1.018 1.00 0.00 WT1 H ATOM 17161 OH2 TIP3 5632 53.124 95.728 65.873 1.00 0.00 WT1 O ATOM 17162 H1 TIP3 5632 53.290 95.634 66.811 1.00 0.00 WT1 H ATOM 17163 H2 TIP3 5632 53.857 96.253 65.551 1.00 0.00 WT1 H ATOM 17164 OH2 TIP3 5633 60.092 37.803 -12.726 1.00 0.00 WT1 O ATOM 17165 H1 TIP3 5633 60.193 38.752 -12.645 1.00 0.00 WT1 H ATOM 17166 H2 TIP3 5633 60.296 37.465 -11.855 1.00 0.00 WT1 H ATOM 17167 OH2 TIP3 5636 59.082 60.333 -0.812 1.00 0.00 WT1 O ATOM 17168 H1 TIP3 5636 58.223 60.057 -0.492 1.00 0.00 WT1 H ATOM 17169 H2 TIP3 5636 59.434 60.883 -0.112 1.00 0.00 WT1 H ATOM 17170 OH2 TIP3 5637 58.216 30.836 -11.777 1.00 0.00 WT1 O ATOM 17171 H1 TIP3 5637 57.394 30.741 -11.296 1.00 0.00 WT1 H ATOM 17172 H2 TIP3 5637 58.429 29.949 -12.066 1.00 0.00 WT1 H ATOM 17173 OH2 TIP3 5642 25.059 66.884 52.284 1.00 0.00 WT1 O ATOM 17174 H1 TIP3 5642 24.240 67.183 52.681 1.00 0.00 WT1 H ATOM 17175 H2 TIP3 5642 25.735 67.424 52.693 1.00 0.00 WT1 H ATOM 17176 OH2 TIP3 5647 63.529 21.785 -19.025 1.00 0.00 WT1 O ATOM 17177 H1 TIP3 5647 64.417 21.439 -18.937 1.00 0.00 WT1 H ATOM 17178 H2 TIP3 5647 63.640 22.615 -19.490 1.00 0.00 WT1 H ATOM 17179 OH2 TIP3 5648 35.504 25.221 15.130 1.00 0.00 WT1 O ATOM 17180 H1 TIP3 5648 34.736 24.838 14.706 1.00 0.00 WT1 H ATOM 17181 H2 TIP3 5648 36.248 24.887 14.629 1.00 0.00 WT1 H ATOM 17182 OH2 TIP3 5649 54.548 83.615 62.024 1.00 0.00 WT1 O ATOM 17183 H1 TIP3 5649 55.003 84.439 62.198 1.00 0.00 WT1 H ATOM 17184 H2 TIP3 5649 53.961 83.503 62.772 1.00 0.00 WT1 H ATOM 17185 OH2 TIP3 5650 60.435 35.407 52.968 1.00 0.00 WT1 O ATOM 17186 H1 TIP3 5650 59.724 34.850 53.285 1.00 0.00 WT1 H ATOM 17187 H2 TIP3 5650 60.177 35.642 52.077 1.00 0.00 WT1 H ATOM 17188 OH2 TIP3 5651 81.407 62.253 60.178 1.00 0.00 WT1 O ATOM 17189 H1 TIP3 5651 80.655 62.484 60.723 1.00 0.00 WT1 H ATOM 17190 H2 TIP3 5651 81.691 61.401 60.509 1.00 0.00 WT1 H ATOM 17191 OH2 TIP3 5653 41.188 61.091 49.521 1.00 0.00 WT1 O ATOM 17192 H1 TIP3 5653 41.271 61.700 48.786 1.00 0.00 WT1 H ATOM 17193 H2 TIP3 5653 41.080 60.233 49.111 1.00 0.00 WT1 H ATOM 17194 OH2 TIP3 5654 73.626 92.337 37.889 1.00 0.00 WT1 O ATOM 17195 H1 TIP3 5654 73.214 92.639 38.698 1.00 0.00 WT1 H ATOM 17196 H2 TIP3 5654 74.559 92.512 38.015 1.00 0.00 WT1 H ATOM 17197 OH2 TIP3 5655 38.330 24.384 49.582 1.00 0.00 WT1 O ATOM 17198 H1 TIP3 5655 38.259 23.713 48.903 1.00 0.00 WT1 H ATOM 17199 H2 TIP3 5655 38.964 25.011 49.235 1.00 0.00 WT1 H ATOM 17200 OH2 TIP3 5656 76.887 85.850 -19.829 1.00 0.00 WT1 O ATOM 17201 H1 TIP3 5656 76.593 84.989 -19.533 1.00 0.00 WT1 H ATOM 17202 H2 TIP3 5656 76.235 86.459 -19.481 1.00 0.00 WT1 H ATOM 17203 OH2 TIP3 5657 69.910 40.859 18.209 1.00 0.00 WT1 O ATOM 17204 H1 TIP3 5657 70.194 40.934 17.298 1.00 0.00 WT1 H ATOM 17205 H2 TIP3 5657 70.095 41.718 18.590 1.00 0.00 WT1 H ATOM 17206 OH2 TIP3 5658 37.237 18.138 14.030 1.00 0.00 WT1 O ATOM 17207 H1 TIP3 5658 37.672 17.869 14.839 1.00 0.00 WT1 H ATOM 17208 H2 TIP3 5658 37.581 17.542 13.364 1.00 0.00 WT1 H ATOM 17209 OH2 TIP3 5663 53.438 46.752 -4.727 1.00 0.00 WT1 O ATOM 17210 H1 TIP3 5663 52.929 46.817 -5.535 1.00 0.00 WT1 H ATOM 17211 H2 TIP3 5663 53.699 47.653 -4.535 1.00 0.00 WT1 H ATOM 17212 OH2 TIP3 5664 77.723 22.081 39.821 1.00 0.00 WT1 O ATOM 17213 H1 TIP3 5664 78.656 21.980 40.009 1.00 0.00 WT1 H ATOM 17214 H2 TIP3 5664 77.447 21.220 39.505 1.00 0.00 WT1 H ATOM 17215 OH2 TIP3 5668 60.158 27.448 21.976 1.00 0.00 WT1 O ATOM 17216 H1 TIP3 5668 59.888 28.314 21.671 1.00 0.00 WT1 H ATOM 17217 H2 TIP3 5668 59.420 27.137 22.500 1.00 0.00 WT1 H ATOM 17218 OH2 TIP3 5669 86.851 79.121 65.571 1.00 0.00 WT1 O ATOM 17219 H1 TIP3 5669 86.221 78.490 65.223 1.00 0.00 WT1 H ATOM 17220 H2 TIP3 5669 86.614 79.213 66.494 1.00 0.00 WT1 H ATOM 17221 OH2 TIP3 5670 31.965 47.829 36.299 1.00 0.00 WT1 O ATOM 17222 H1 TIP3 5670 31.484 47.117 36.721 1.00 0.00 WT1 H ATOM 17223 H2 TIP3 5670 32.446 47.405 35.588 1.00 0.00 WT1 H ATOM 17224 OH2 TIP3 5671 40.341 0.748 25.669 1.00 0.00 WT1 O ATOM 17225 H1 TIP3 5671 40.415 1.342 24.922 1.00 0.00 WT1 H ATOM 17226 H2 TIP3 5671 40.853 -0.020 25.417 1.00 0.00 WT1 H ATOM 17227 OH2 TIP3 5673 67.930 95.275 39.149 1.00 0.00 WT1 O ATOM 17228 H1 TIP3 5673 68.838 95.258 38.846 1.00 0.00 WT1 H ATOM 17229 H2 TIP3 5673 67.414 95.406 38.353 1.00 0.00 WT1 H ATOM 17230 OH2 TIP3 5674 69.238 87.260 12.497 1.00 0.00 WT1 O ATOM 17231 H1 TIP3 5674 69.659 87.939 13.024 1.00 0.00 WT1 H ATOM 17232 H2 TIP3 5674 69.738 87.245 11.681 1.00 0.00 WT1 H ATOM 17233 OH2 TIP3 5675 78.026 41.909 17.223 1.00 0.00 WT1 O ATOM 17234 H1 TIP3 5675 77.980 41.574 16.327 1.00 0.00 WT1 H ATOM 17235 H2 TIP3 5675 77.757 42.824 17.151 1.00 0.00 WT1 H ATOM 17236 OH2 TIP3 5676 34.199 56.556 -13.101 1.00 0.00 WT1 O ATOM 17237 H1 TIP3 5676 34.798 55.980 -13.576 1.00 0.00 WT1 H ATOM 17238 H2 TIP3 5676 34.550 57.435 -13.240 1.00 0.00 WT1 H ATOM 17239 OH2 TIP3 5678 79.916 86.067 28.335 1.00 0.00 WT1 O ATOM 17240 H1 TIP3 5678 79.970 87.022 28.363 1.00 0.00 WT1 H ATOM 17241 H2 TIP3 5678 79.708 85.865 27.423 1.00 0.00 WT1 H ATOM 17242 OH2 TIP3 5679 31.824 57.227 29.917 1.00 0.00 WT1 O ATOM 17243 H1 TIP3 5679 32.602 56.878 29.482 1.00 0.00 WT1 H ATOM 17244 H2 TIP3 5679 32.169 57.770 30.626 1.00 0.00 WT1 H ATOM 17245 OH2 TIP3 5682 64.406 41.395 28.934 1.00 0.00 WT1 O ATOM 17246 H1 TIP3 5682 63.488 41.575 29.142 1.00 0.00 WT1 H ATOM 17247 H2 TIP3 5682 64.591 41.943 28.172 1.00 0.00 WT1 H ATOM 17248 OH2 TIP3 5683 75.080 81.403 -9.353 1.00 0.00 WT1 O ATOM 17249 H1 TIP3 5683 74.348 81.762 -9.855 1.00 0.00 WT1 H ATOM 17250 H2 TIP3 5683 74.678 81.057 -8.557 1.00 0.00 WT1 H ATOM 17251 OH2 TIP3 5687 50.761 16.079 -5.118 1.00 0.00 WT1 O ATOM 17252 H1 TIP3 5687 51.636 16.467 -5.145 1.00 0.00 WT1 H ATOM 17253 H2 TIP3 5687 50.646 15.811 -4.206 1.00 0.00 WT1 H ATOM 17254 OH2 TIP3 5690 69.419 85.955 19.355 1.00 0.00 WT1 O ATOM 17255 H1 TIP3 5690 68.578 85.924 18.899 1.00 0.00 WT1 H ATOM 17256 H2 TIP3 5690 69.566 85.055 19.648 1.00 0.00 WT1 H ATOM 17257 OH2 TIP3 5691 68.335 4.853 33.693 1.00 0.00 WT1 O ATOM 17258 H1 TIP3 5691 67.589 5.361 34.012 1.00 0.00 WT1 H ATOM 17259 H2 TIP3 5691 68.464 5.155 32.794 1.00 0.00 WT1 H ATOM 17260 OH2 TIP3 5692 33.898 22.211 -10.642 1.00 0.00 WT1 O ATOM 17261 H1 TIP3 5692 34.128 21.887 -11.512 1.00 0.00 WT1 H ATOM 17262 H2 TIP3 5692 32.953 22.071 -10.575 1.00 0.00 WT1 H ATOM 17263 OH2 TIP3 5694 86.382 42.297 38.439 1.00 0.00 WT1 O ATOM 17264 H1 TIP3 5694 86.167 43.151 38.813 1.00 0.00 WT1 H ATOM 17265 H2 TIP3 5694 86.326 41.690 39.178 1.00 0.00 WT1 H ATOM 17266 OH2 TIP3 5695 66.776 66.838 10.982 1.00 0.00 WT1 O ATOM 17267 H1 TIP3 5695 66.878 65.886 10.998 1.00 0.00 WT1 H ATOM 17268 H2 TIP3 5695 66.717 67.057 10.052 1.00 0.00 WT1 H ATOM 17269 OH2 TIP3 5697 32.294 25.579 -12.741 1.00 0.00 WT1 O ATOM 17270 H1 TIP3 5697 31.638 25.214 -12.147 1.00 0.00 WT1 H ATOM 17271 H2 TIP3 5697 32.668 26.318 -12.260 1.00 0.00 WT1 H ATOM 17272 OH2 TIP3 5698 46.233 54.349 26.256 1.00 0.00 WT1 O ATOM 17273 H1 TIP3 5698 46.035 55.060 25.646 1.00 0.00 WT1 H ATOM 17274 H2 TIP3 5698 46.582 53.650 25.703 1.00 0.00 WT1 H ATOM 17275 OH2 TIP3 5700 79.862 27.093 -11.321 1.00 0.00 WT1 O ATOM 17276 H1 TIP3 5700 79.816 27.011 -12.273 1.00 0.00 WT1 H ATOM 17277 H2 TIP3 5700 80.794 27.013 -11.117 1.00 0.00 WT1 H ATOM 17278 OH2 TIP3 5701 59.537 44.323 -3.218 1.00 0.00 WT1 O ATOM 17279 H1 TIP3 5701 59.737 44.028 -2.329 1.00 0.00 WT1 H ATOM 17280 H2 TIP3 5701 58.592 44.472 -3.214 1.00 0.00 WT1 H ATOM 17281 OH2 TIP3 5702 59.946 84.009 -14.398 1.00 0.00 WT1 O ATOM 17282 H1 TIP3 5702 60.110 83.898 -13.461 1.00 0.00 WT1 H ATOM 17283 H2 TIP3 5702 60.817 84.100 -14.784 1.00 0.00 WT1 H ATOM 17284 OH2 TIP3 5704 75.450 34.278 5.168 1.00 0.00 WT1 O ATOM 17285 H1 TIP3 5704 75.501 35.087 5.678 1.00 0.00 WT1 H ATOM 17286 H2 TIP3 5704 74.747 33.778 5.582 1.00 0.00 WT1 H ATOM 17287 OH2 TIP3 5705 53.681 57.184 18.626 1.00 0.00 WT1 O ATOM 17288 H1 TIP3 5705 53.093 56.656 18.087 1.00 0.00 WT1 H ATOM 17289 H2 TIP3 5705 53.103 57.636 19.241 1.00 0.00 WT1 H ATOM 17290 OH2 TIP3 5706 21.605 87.393 19.890 1.00 0.00 WT1 O ATOM 17291 H1 TIP3 5706 21.967 87.613 20.748 1.00 0.00 WT1 H ATOM 17292 H2 TIP3 5706 22.297 87.622 19.271 1.00 0.00 WT1 H ATOM 17293 OH2 TIP3 5709 78.145 78.552 20.338 1.00 0.00 WT1 O ATOM 17294 H1 TIP3 5709 78.362 78.331 21.243 1.00 0.00 WT1 H ATOM 17295 H2 TIP3 5709 77.216 78.334 20.254 1.00 0.00 WT1 H ATOM 17296 OH2 TIP3 5710 58.174 -0.142 -19.588 1.00 0.00 WT1 O ATOM 17297 H1 TIP3 5710 58.647 0.562 -19.143 1.00 0.00 WT1 H ATOM 17298 H2 TIP3 5710 58.402 -0.037 -20.512 1.00 0.00 WT1 H ATOM 17299 OH2 TIP3 5711 40.096 95.710 8.710 1.00 0.00 WT1 O ATOM 17300 H1 TIP3 5711 40.955 95.359 8.478 1.00 0.00 WT1 H ATOM 17301 H2 TIP3 5711 39.988 96.476 8.145 1.00 0.00 WT1 H ATOM 17302 OH2 TIP3 5713 63.948 2.139 10.471 1.00 0.00 WT1 O ATOM 17303 H1 TIP3 5713 63.326 2.059 9.747 1.00 0.00 WT1 H ATOM 17304 H2 TIP3 5713 63.896 1.299 10.925 1.00 0.00 WT1 H ATOM 17305 OH2 TIP3 5714 21.570 68.298 6.176 1.00 0.00 WT1 O ATOM 17306 H1 TIP3 5714 21.484 67.620 6.846 1.00 0.00 WT1 H ATOM 17307 H2 TIP3 5714 20.928 68.964 6.425 1.00 0.00 WT1 H ATOM 17308 OH2 TIP3 5716 33.176 7.783 18.714 1.00 0.00 WT1 O ATOM 17309 H1 TIP3 5716 33.505 8.546 19.189 1.00 0.00 WT1 H ATOM 17310 H2 TIP3 5716 32.522 8.139 18.111 1.00 0.00 WT1 H ATOM 17311 OH2 TIP3 5717 70.826 21.311 58.462 1.00 0.00 WT1 O ATOM 17312 H1 TIP3 5717 70.572 21.298 59.385 1.00 0.00 WT1 H ATOM 17313 H2 TIP3 5717 70.580 22.185 58.158 1.00 0.00 WT1 H ATOM 17314 OH2 TIP3 5718 24.242 48.662 64.278 1.00 0.00 WT1 O ATOM 17315 H1 TIP3 5718 24.186 47.797 64.682 1.00 0.00 WT1 H ATOM 17316 H2 TIP3 5718 24.483 49.248 64.995 1.00 0.00 WT1 H ATOM 17317 OH2 TIP3 5719 46.946 61.441 11.380 1.00 0.00 WT1 O ATOM 17318 H1 TIP3 5719 46.290 61.622 12.053 1.00 0.00 WT1 H ATOM 17319 H2 TIP3 5719 47.399 60.657 11.691 1.00 0.00 WT1 H ATOM 17320 OH2 TIP3 5720 52.851 13.571 18.734 1.00 0.00 WT1 O ATOM 17321 H1 TIP3 5720 52.626 14.496 18.834 1.00 0.00 WT1 H ATOM 17322 H2 TIP3 5720 52.820 13.218 19.623 1.00 0.00 WT1 H ATOM 17323 OH2 TIP3 5722 21.331 57.967 1.788 1.00 0.00 WT1 O ATOM 17324 H1 TIP3 5722 22.055 57.406 1.510 1.00 0.00 WT1 H ATOM 17325 H2 TIP3 5722 21.000 58.352 0.976 1.00 0.00 WT1 H ATOM 17326 OH2 TIP3 5723 77.765 29.438 61.806 1.00 0.00 WT1 O ATOM 17327 H1 TIP3 5723 77.015 28.859 61.665 1.00 0.00 WT1 H ATOM 17328 H2 TIP3 5723 78.524 28.912 61.555 1.00 0.00 WT1 H ATOM 17329 OH2 TIP3 5726 43.582 29.891 45.366 1.00 0.00 WT1 O ATOM 17330 H1 TIP3 5726 43.072 30.527 45.866 1.00 0.00 WT1 H ATOM 17331 H2 TIP3 5726 44.438 30.304 45.254 1.00 0.00 WT1 H ATOM 17332 OH2 TIP3 5727 79.735 77.871 -9.010 1.00 0.00 WT1 O ATOM 17333 H1 TIP3 5727 79.234 78.292 -8.311 1.00 0.00 WT1 H ATOM 17334 H2 TIP3 5727 80.060 77.061 -8.618 1.00 0.00 WT1 H ATOM 17335 OH2 TIP3 5728 82.590 36.593 26.136 1.00 0.00 WT1 O ATOM 17336 H1 TIP3 5728 83.497 36.685 25.844 1.00 0.00 WT1 H ATOM 17337 H2 TIP3 5728 82.648 36.557 27.091 1.00 0.00 WT1 H ATOM 17338 OH2 TIP3 5729 65.435 60.519 14.178 1.00 0.00 WT1 O ATOM 17339 H1 TIP3 5729 65.712 59.846 14.800 1.00 0.00 WT1 H ATOM 17340 H2 TIP3 5729 65.027 60.032 13.462 1.00 0.00 WT1 H ATOM 17341 OH2 TIP3 5730 86.164 36.912 -16.297 1.00 0.00 WT1 O ATOM 17342 H1 TIP3 5730 85.833 36.551 -17.119 1.00 0.00 WT1 H ATOM 17343 H2 TIP3 5730 85.405 36.919 -15.715 1.00 0.00 WT1 H ATOM 17344 OH2 TIP3 5732 75.861 69.302 8.463 1.00 0.00 WT1 O ATOM 17345 H1 TIP3 5732 75.296 68.675 8.915 1.00 0.00 WT1 H ATOM 17346 H2 TIP3 5732 76.723 68.884 8.453 1.00 0.00 WT1 H ATOM 17347 OH2 TIP3 5733 48.970 1.545 46.729 1.00 0.00 WT1 O ATOM 17348 H1 TIP3 5733 49.591 1.212 46.081 1.00 0.00 WT1 H ATOM 17349 H2 TIP3 5733 48.129 1.168 46.471 1.00 0.00 WT1 H ATOM 17350 OH2 TIP3 5734 33.504 58.687 8.893 1.00 0.00 WT1 O ATOM 17351 H1 TIP3 5734 33.672 58.681 9.835 1.00 0.00 WT1 H ATOM 17352 H2 TIP3 5734 33.964 57.915 8.562 1.00 0.00 WT1 H ATOM 17353 OH2 TIP3 5735 71.223 96.123 66.160 1.00 0.00 WT1 O ATOM 17354 H1 TIP3 5735 72.076 96.128 66.594 1.00 0.00 WT1 H ATOM 17355 H2 TIP3 5735 70.650 95.646 66.762 1.00 0.00 WT1 H ATOM 17356 OH2 TIP3 5736 74.355 13.771 39.311 1.00 0.00 WT1 O ATOM 17357 H1 TIP3 5736 75.236 13.406 39.393 1.00 0.00 WT1 H ATOM 17358 H2 TIP3 5736 74.478 14.716 39.391 1.00 0.00 WT1 H ATOM 17359 OH2 TIP3 5737 66.345 54.706 18.316 1.00 0.00 WT1 O ATOM 17360 H1 TIP3 5737 65.602 54.704 18.919 1.00 0.00 WT1 H ATOM 17361 H2 TIP3 5737 65.948 54.674 17.446 1.00 0.00 WT1 H ATOM 17362 OH2 TIP3 5738 32.353 95.631 35.225 1.00 0.00 WT1 O ATOM 17363 H1 TIP3 5738 33.133 96.073 34.889 1.00 0.00 WT1 H ATOM 17364 H2 TIP3 5738 32.057 96.183 35.949 1.00 0.00 WT1 H ATOM 17365 OH2 TIP3 5741 46.148 84.836 7.128 1.00 0.00 WT1 O ATOM 17366 H1 TIP3 5741 46.511 84.067 7.567 1.00 0.00 WT1 H ATOM 17367 H2 TIP3 5741 46.632 85.575 7.498 1.00 0.00 WT1 H ATOM 17368 OH2 TIP3 5742 67.827 80.587 27.500 1.00 0.00 WT1 O ATOM 17369 H1 TIP3 5742 67.949 80.121 26.673 1.00 0.00 WT1 H ATOM 17370 H2 TIP3 5742 68.231 80.019 28.157 1.00 0.00 WT1 H ATOM 17371 OH2 TIP3 5744 46.746 16.851 -4.631 1.00 0.00 WT1 O ATOM 17372 H1 TIP3 5744 46.724 16.595 -3.709 1.00 0.00 WT1 H ATOM 17373 H2 TIP3 5744 45.862 16.668 -4.951 1.00 0.00 WT1 H ATOM 17374 OH2 TIP3 5746 48.747 35.517 62.418 1.00 0.00 WT1 O ATOM 17375 H1 TIP3 5746 48.713 34.991 63.218 1.00 0.00 WT1 H ATOM 17376 H2 TIP3 5746 48.048 35.162 61.868 1.00 0.00 WT1 H ATOM 17377 OH2 TIP3 5748 61.953 33.656 -9.861 1.00 0.00 WT1 O ATOM 17378 H1 TIP3 5748 61.913 34.092 -9.010 1.00 0.00 WT1 H ATOM 17379 H2 TIP3 5748 61.808 32.730 -9.664 1.00 0.00 WT1 H ATOM 17380 OH2 TIP3 5749 58.520 83.067 56.258 1.00 0.00 WT1 O ATOM 17381 H1 TIP3 5749 57.889 82.484 55.835 1.00 0.00 WT1 H ATOM 17382 H2 TIP3 5749 58.056 83.900 56.344 1.00 0.00 WT1 H ATOM 17383 OH2 TIP3 5750 63.269 73.016 17.840 1.00 0.00 WT1 O ATOM 17384 H1 TIP3 5750 63.448 72.076 17.825 1.00 0.00 WT1 H ATOM 17385 H2 TIP3 5750 63.476 73.314 16.955 1.00 0.00 WT1 H ATOM 17386 OH2 TIP3 5752 33.654 64.502 51.504 1.00 0.00 WT1 O ATOM 17387 H1 TIP3 5752 33.608 63.555 51.371 1.00 0.00 WT1 H ATOM 17388 H2 TIP3 5752 32.972 64.858 50.935 1.00 0.00 WT1 H ATOM 17389 OH2 TIP3 5753 28.492 75.064 28.001 1.00 0.00 WT1 O ATOM 17390 H1 TIP3 5753 28.760 75.978 27.910 1.00 0.00 WT1 H ATOM 17391 H2 TIP3 5753 28.911 74.771 28.811 1.00 0.00 WT1 H ATOM 17392 OH2 TIP3 5754 22.606 31.770 36.993 1.00 0.00 WT1 O ATOM 17393 H1 TIP3 5754 22.256 32.635 36.777 1.00 0.00 WT1 H ATOM 17394 H2 TIP3 5754 22.731 31.343 36.146 1.00 0.00 WT1 H ATOM 17395 OH2 TIP3 5755 64.065 18.274 62.619 1.00 0.00 WT1 O ATOM 17396 H1 TIP3 5755 63.174 18.589 62.766 1.00 0.00 WT1 H ATOM 17397 H2 TIP3 5755 64.601 19.067 62.601 1.00 0.00 WT1 H ATOM 17398 OH2 TIP3 5756 40.944 0.585 2.868 1.00 0.00 WT1 O ATOM 17399 H1 TIP3 5756 41.258 1.441 3.159 1.00 0.00 WT1 H ATOM 17400 H2 TIP3 5756 40.317 0.318 3.540 1.00 0.00 WT1 H ATOM 17401 OH2 TIP3 5757 32.694 80.865 45.499 1.00 0.00 WT1 O ATOM 17402 H1 TIP3 5757 33.208 80.194 45.948 1.00 0.00 WT1 H ATOM 17403 H2 TIP3 5757 32.963 80.801 44.582 1.00 0.00 WT1 H ATOM 17404 OH2 TIP3 5758 48.267 7.771 -14.688 1.00 0.00 WT1 O ATOM 17405 H1 TIP3 5758 48.987 8.201 -14.227 1.00 0.00 WT1 H ATOM 17406 H2 TIP3 5758 47.502 7.924 -14.133 1.00 0.00 WT1 H ATOM 17407 OH2 TIP3 5759 87.252 33.426 42.240 1.00 0.00 WT1 O ATOM 17408 H1 TIP3 5759 87.686 33.265 41.402 1.00 0.00 WT1 H ATOM 17409 H2 TIP3 5759 87.267 32.579 42.685 1.00 0.00 WT1 H ATOM 17410 OH2 TIP3 5760 35.889 82.362 36.109 1.00 0.00 WT1 O ATOM 17411 H1 TIP3 5760 36.177 81.792 35.397 1.00 0.00 WT1 H ATOM 17412 H2 TIP3 5760 35.427 81.779 36.712 1.00 0.00 WT1 H ATOM 17413 OH2 TIP3 5761 22.783 60.235 -2.292 1.00 0.00 WT1 O ATOM 17414 H1 TIP3 5761 23.102 60.312 -1.393 1.00 0.00 WT1 H ATOM 17415 H2 TIP3 5761 23.147 59.407 -2.606 1.00 0.00 WT1 H ATOM 17416 OH2 TIP3 5762 58.910 10.348 21.387 1.00 0.00 WT1 O ATOM 17417 H1 TIP3 5762 58.905 10.975 20.664 1.00 0.00 WT1 H ATOM 17418 H2 TIP3 5762 59.349 9.575 21.032 1.00 0.00 WT1 H ATOM 17419 OH2 TIP3 5763 76.052 62.803 46.750 1.00 0.00 WT1 O ATOM 17420 H1 TIP3 5763 75.706 63.495 47.314 1.00 0.00 WT1 H ATOM 17421 H2 TIP3 5763 76.039 63.182 45.871 1.00 0.00 WT1 H ATOM 17422 OH2 TIP3 5764 69.684 38.214 -20.125 1.00 0.00 WT1 O ATOM 17423 H1 TIP3 5764 68.783 38.143 -19.807 1.00 0.00 WT1 H ATOM 17424 H2 TIP3 5764 70.200 37.706 -19.498 1.00 0.00 WT1 H ATOM 17425 OH2 TIP3 5765 53.913 17.611 -16.670 1.00 0.00 WT1 O ATOM 17426 H1 TIP3 5765 53.624 18.417 -17.098 1.00 0.00 WT1 H ATOM 17427 H2 TIP3 5765 54.569 17.246 -17.263 1.00 0.00 WT1 H ATOM 17428 OH2 TIP3 5767 76.252 83.776 18.819 1.00 0.00 WT1 O ATOM 17429 H1 TIP3 5767 76.675 84.630 18.736 1.00 0.00 WT1 H ATOM 17430 H2 TIP3 5767 76.640 83.246 18.123 1.00 0.00 WT1 H ATOM 17431 OH2 TIP3 5768 38.372 70.457 20.333 1.00 0.00 WT1 O ATOM 17432 H1 TIP3 5768 38.636 70.059 21.162 1.00 0.00 WT1 H ATOM 17433 H2 TIP3 5768 39.133 70.352 19.763 1.00 0.00 WT1 H ATOM 17434 OH2 TIP3 5769 69.869 67.002 25.134 1.00 0.00 WT1 O ATOM 17435 H1 TIP3 5769 69.715 67.342 24.253 1.00 0.00 WT1 H ATOM 17436 H2 TIP3 5769 69.092 66.479 25.330 1.00 0.00 WT1 H ATOM 17437 OH2 TIP3 5772 44.531 57.521 46.590 1.00 0.00 WT1 O ATOM 17438 H1 TIP3 5772 44.239 58.232 47.160 1.00 0.00 WT1 H ATOM 17439 H2 TIP3 5772 44.622 57.926 45.727 1.00 0.00 WT1 H ATOM 17440 OH2 TIP3 5773 48.896 70.464 7.739 1.00 0.00 WT1 O ATOM 17441 H1 TIP3 5773 49.112 70.108 8.601 1.00 0.00 WT1 H ATOM 17442 H2 TIP3 5773 49.685 70.934 7.469 1.00 0.00 WT1 H ATOM 17443 OH2 TIP3 5774 43.999 54.270 -11.833 1.00 0.00 WT1 O ATOM 17444 H1 TIP3 5774 44.928 54.045 -11.791 1.00 0.00 WT1 H ATOM 17445 H2 TIP3 5774 43.809 54.671 -10.985 1.00 0.00 WT1 H ATOM 17446 OH2 TIP3 5775 80.167 75.639 -3.249 1.00 0.00 WT1 O ATOM 17447 H1 TIP3 5775 79.849 76.079 -4.038 1.00 0.00 WT1 H ATOM 17448 H2 TIP3 5775 79.519 74.954 -3.080 1.00 0.00 WT1 H ATOM 17449 OH2 TIP3 5776 21.047 48.573 64.497 1.00 0.00 WT1 O ATOM 17450 H1 TIP3 5776 20.367 48.773 63.853 1.00 0.00 WT1 H ATOM 17451 H2 TIP3 5776 21.810 49.070 64.204 1.00 0.00 WT1 H ATOM 17452 OH2 TIP3 5777 26.217 -0.098 -3.649 1.00 0.00 WT1 O ATOM 17453 H1 TIP3 5777 25.813 0.770 -3.653 1.00 0.00 WT1 H ATOM 17454 H2 TIP3 5777 26.076 -0.424 -2.761 1.00 0.00 WT1 H ATOM 17455 OH2 TIP3 5778 87.427 33.953 49.265 1.00 0.00 WT1 O ATOM 17456 H1 TIP3 5778 87.186 34.494 48.513 1.00 0.00 WT1 H ATOM 17457 H2 TIP3 5778 86.643 33.436 49.449 1.00 0.00 WT1 H ATOM 17458 OH2 TIP3 5779 21.504 69.477 -1.496 1.00 0.00 WT1 O ATOM 17459 H1 TIP3 5779 22.382 69.779 -1.266 1.00 0.00 WT1 H ATOM 17460 H2 TIP3 5779 21.439 68.606 -1.105 1.00 0.00 WT1 H ATOM 17461 OH2 TIP3 5780 56.178 16.417 17.505 1.00 0.00 WT1 O ATOM 17462 H1 TIP3 5780 56.949 16.925 17.251 1.00 0.00 WT1 H ATOM 17463 H2 TIP3 5780 55.492 17.071 17.635 1.00 0.00 WT1 H ATOM 17464 OH2 TIP3 5781 24.377 93.030 -2.023 1.00 0.00 WT1 O ATOM 17465 H1 TIP3 5781 24.457 92.534 -2.838 1.00 0.00 WT1 H ATOM 17466 H2 TIP3 5781 23.550 93.505 -2.111 1.00 0.00 WT1 H ATOM 17467 OH2 TIP3 5782 27.372 67.311 16.288 1.00 0.00 WT1 O ATOM 17468 H1 TIP3 5782 27.739 68.113 15.916 1.00 0.00 WT1 H ATOM 17469 H2 TIP3 5782 28.133 66.759 16.467 1.00 0.00 WT1 H ATOM 17470 OH2 TIP3 5783 20.697 74.227 64.833 1.00 0.00 WT1 O ATOM 17471 H1 TIP3 5783 21.283 74.980 64.753 1.00 0.00 WT1 H ATOM 17472 H2 TIP3 5783 20.559 73.934 63.932 1.00 0.00 WT1 H ATOM 17473 OH2 TIP3 5784 40.291 11.903 47.117 1.00 0.00 WT1 O ATOM 17474 H1 TIP3 5784 41.156 12.207 47.392 1.00 0.00 WT1 H ATOM 17475 H2 TIP3 5784 39.853 11.657 47.933 1.00 0.00 WT1 H ATOM 17476 OH2 TIP3 5785 43.184 43.713 50.802 1.00 0.00 WT1 O ATOM 17477 H1 TIP3 5785 43.505 43.629 49.904 1.00 0.00 WT1 H ATOM 17478 H2 TIP3 5785 43.551 44.541 51.112 1.00 0.00 WT1 H ATOM 17479 OH2 TIP3 5786 85.199 82.595 21.110 1.00 0.00 WT1 O ATOM 17480 H1 TIP3 5786 85.672 81.960 21.649 1.00 0.00 WT1 H ATOM 17481 H2 TIP3 5786 85.500 82.423 20.218 1.00 0.00 WT1 H ATOM 17482 OH2 TIP3 5787 61.759 15.832 67.186 1.00 0.00 WT1 O ATOM 17483 H1 TIP3 5787 61.200 16.128 67.905 1.00 0.00 WT1 H ATOM 17484 H2 TIP3 5787 61.279 16.074 66.394 1.00 0.00 WT1 H ATOM 17485 OH2 TIP3 5788 20.620 16.977 56.065 1.00 0.00 WT1 O ATOM 17486 H1 TIP3 5788 20.557 16.460 56.868 1.00 0.00 WT1 H ATOM 17487 H2 TIP3 5788 20.206 17.812 56.285 1.00 0.00 WT1 H ATOM 17488 OH2 TIP3 5789 88.283 95.270 16.267 1.00 0.00 WT1 O ATOM 17489 H1 TIP3 5789 88.133 95.499 15.349 1.00 0.00 WT1 H ATOM 17490 H2 TIP3 5789 88.574 94.359 16.242 1.00 0.00 WT1 H ATOM 17491 OH2 TIP3 5790 53.335 95.632 12.434 1.00 0.00 WT1 O ATOM 17492 H1 TIP3 5790 52.805 95.268 11.725 1.00 0.00 WT1 H ATOM 17493 H2 TIP3 5790 53.660 96.463 12.088 1.00 0.00 WT1 H ATOM 17494 OH2 TIP3 5791 26.416 92.494 46.634 1.00 0.00 WT1 O ATOM 17495 H1 TIP3 5791 26.235 93.022 45.857 1.00 0.00 WT1 H ATOM 17496 H2 TIP3 5791 26.990 91.794 46.321 1.00 0.00 WT1 H ATOM 17497 OH2 TIP3 5792 26.926 24.186 64.985 1.00 0.00 WT1 O ATOM 17498 H1 TIP3 5792 27.147 24.453 65.877 1.00 0.00 WT1 H ATOM 17499 H2 TIP3 5792 27.509 23.449 64.804 1.00 0.00 WT1 H ATOM 17500 OH2 TIP3 5793 73.224 36.581 -12.874 1.00 0.00 WT1 O ATOM 17501 H1 TIP3 5793 73.204 36.861 -11.959 1.00 0.00 WT1 H ATOM 17502 H2 TIP3 5793 74.143 36.374 -13.042 1.00 0.00 WT1 H ATOM 17503 OH2 TIP3 5794 52.894 86.010 5.510 1.00 0.00 WT1 O ATOM 17504 H1 TIP3 5794 52.101 86.374 5.116 1.00 0.00 WT1 H ATOM 17505 H2 TIP3 5794 52.597 85.624 6.334 1.00 0.00 WT1 H ATOM 17506 OH2 TIP3 5795 81.459 93.660 17.000 1.00 0.00 WT1 O ATOM 17507 H1 TIP3 5795 81.432 93.081 17.761 1.00 0.00 WT1 H ATOM 17508 H2 TIP3 5795 82.334 94.049 17.025 1.00 0.00 WT1 H ATOM 17509 OH2 TIP3 5796 63.515 2.325 18.770 1.00 0.00 WT1 O ATOM 17510 H1 TIP3 5796 64.265 2.903 18.913 1.00 0.00 WT1 H ATOM 17511 H2 TIP3 5796 63.904 1.469 18.586 1.00 0.00 WT1 H ATOM 17512 OH2 TIP3 5797 44.047 78.494 17.953 1.00 0.00 WT1 O ATOM 17513 H1 TIP3 5797 43.936 77.899 18.694 1.00 0.00 WT1 H ATOM 17514 H2 TIP3 5797 43.391 78.210 17.317 1.00 0.00 WT1 H ATOM 17515 OH2 TIP3 5798 89.503 55.695 37.297 1.00 0.00 WT1 O ATOM 17516 H1 TIP3 5798 90.353 55.792 37.727 1.00 0.00 WT1 H ATOM 17517 H2 TIP3 5798 88.865 55.768 38.006 1.00 0.00 WT1 H ATOM 17518 OH2 TIP3 5799 25.567 86.100 3.610 1.00 0.00 WT1 O ATOM 17519 H1 TIP3 5799 26.126 85.822 4.337 1.00 0.00 WT1 H ATOM 17520 H2 TIP3 5799 26.180 86.379 2.930 1.00 0.00 WT1 H ATOM 17521 OH2 TIP3 5800 58.660 84.191 -4.049 1.00 0.00 WT1 O ATOM 17522 H1 TIP3 5800 58.698 83.406 -4.595 1.00 0.00 WT1 H ATOM 17523 H2 TIP3 5800 58.336 83.880 -3.204 1.00 0.00 WT1 H ATOM 17524 OH2 TIP3 5801 66.607 27.537 38.553 1.00 0.00 WT1 O ATOM 17525 H1 TIP3 5801 67.300 27.233 39.139 1.00 0.00 WT1 H ATOM 17526 H2 TIP3 5801 65.798 27.399 39.046 1.00 0.00 WT1 H ATOM 17527 OH2 TIP3 5802 47.055 11.710 4.341 1.00 0.00 WT1 O ATOM 17528 H1 TIP3 5802 46.405 11.880 5.022 1.00 0.00 WT1 H ATOM 17529 H2 TIP3 5802 47.898 11.845 4.774 1.00 0.00 WT1 H ATOM 17530 OH2 TIP3 5803 54.203 63.933 11.578 1.00 0.00 WT1 O ATOM 17531 H1 TIP3 5803 55.034 63.648 11.956 1.00 0.00 WT1 H ATOM 17532 H2 TIP3 5803 54.450 64.578 10.915 1.00 0.00 WT1 H ATOM 17533 OH2 TIP3 5804 69.956 37.736 -6.396 1.00 0.00 WT1 O ATOM 17534 H1 TIP3 5804 70.396 38.339 -6.995 1.00 0.00 WT1 H ATOM 17535 H2 TIP3 5804 70.020 38.158 -5.540 1.00 0.00 WT1 H ATOM 17536 OH2 TIP3 5805 67.527 87.442 66.492 1.00 0.00 WT1 O ATOM 17537 H1 TIP3 5805 67.027 86.650 66.292 1.00 0.00 WT1 H ATOM 17538 H2 TIP3 5805 67.767 87.796 65.636 1.00 0.00 WT1 H ATOM 17539 OH2 TIP3 5806 32.960 89.950 -5.680 1.00 0.00 WT1 O ATOM 17540 H1 TIP3 5806 32.343 89.439 -5.157 1.00 0.00 WT1 H ATOM 17541 H2 TIP3 5806 33.719 90.067 -5.109 1.00 0.00 WT1 H ATOM 17542 OH2 TIP3 5807 57.857 93.650 27.363 1.00 0.00 WT1 O ATOM 17543 H1 TIP3 5807 57.476 93.404 28.206 1.00 0.00 WT1 H ATOM 17544 H2 TIP3 5807 58.678 93.160 27.319 1.00 0.00 WT1 H ATOM 17545 OH2 TIP3 5808 27.869 1.432 3.158 1.00 0.00 WT1 O ATOM 17546 H1 TIP3 5808 28.510 1.627 2.474 1.00 0.00 WT1 H ATOM 17547 H2 TIP3 5808 28.341 0.873 3.775 1.00 0.00 WT1 H ATOM 17548 OH2 TIP3 5809 58.554 6.148 22.031 1.00 0.00 WT1 O ATOM 17549 H1 TIP3 5809 58.797 6.483 21.168 1.00 0.00 WT1 H ATOM 17550 H2 TIP3 5809 58.572 6.918 22.600 1.00 0.00 WT1 H ATOM 17551 OH2 TIP3 5810 58.847 91.785 -13.159 1.00 0.00 WT1 O ATOM 17552 H1 TIP3 5810 59.270 92.482 -12.659 1.00 0.00 WT1 H ATOM 17553 H2 TIP3 5810 58.398 92.239 -13.872 1.00 0.00 WT1 H ATOM 17554 OH2 TIP3 5813 58.125 96.322 0.478 1.00 0.00 WT1 O ATOM 17555 H1 TIP3 5813 57.736 96.223 1.347 1.00 0.00 WT1 H ATOM 17556 H2 TIP3 5813 57.778 97.153 0.153 1.00 0.00 WT1 H ATOM 17557 OH2 TIP3 5814 79.437 58.134 53.085 1.00 0.00 WT1 O ATOM 17558 H1 TIP3 5814 78.863 57.575 52.561 1.00 0.00 WT1 H ATOM 17559 H2 TIP3 5814 80.093 57.535 53.442 1.00 0.00 WT1 H ATOM 17560 OH2 TIP3 5815 89.661 30.730 43.614 1.00 0.00 WT1 O ATOM 17561 H1 TIP3 5815 90.415 31.082 43.140 1.00 0.00 WT1 H ATOM 17562 H2 TIP3 5815 89.667 29.794 43.414 1.00 0.00 WT1 H ATOM 17563 OH2 TIP3 5816 69.927 31.547 37.327 1.00 0.00 WT1 O ATOM 17564 H1 TIP3 5816 69.322 32.140 36.882 1.00 0.00 WT1 H ATOM 17565 H2 TIP3 5816 70.463 31.180 36.624 1.00 0.00 WT1 H ATOM 17566 OH2 TIP3 5817 82.687 85.230 62.791 1.00 0.00 WT1 O ATOM 17567 H1 TIP3 5817 82.348 84.421 62.410 1.00 0.00 WT1 H ATOM 17568 H2 TIP3 5817 82.273 85.283 63.652 1.00 0.00 WT1 H ATOM 17569 OH2 TIP3 5818 43.038 48.262 -12.611 1.00 0.00 WT1 O ATOM 17570 H1 TIP3 5818 43.985 48.152 -12.532 1.00 0.00 WT1 H ATOM 17571 H2 TIP3 5818 42.931 49.083 -13.092 1.00 0.00 WT1 H ATOM 17572 OH2 TIP3 5819 32.883 2.040 0.954 1.00 0.00 WT1 O ATOM 17573 H1 TIP3 5819 33.693 1.530 0.961 1.00 0.00 WT1 H ATOM 17574 H2 TIP3 5819 33.159 2.926 0.720 1.00 0.00 WT1 H ATOM 17575 OH2 TIP3 5820 34.587 90.638 3.231 1.00 0.00 WT1 O ATOM 17576 H1 TIP3 5820 34.620 91.290 3.932 1.00 0.00 WT1 H ATOM 17577 H2 TIP3 5820 34.463 89.805 3.685 1.00 0.00 WT1 H ATOM 17578 OH2 TIP3 5821 65.671 1.816 66.748 1.00 0.00 WT1 O ATOM 17579 H1 TIP3 5821 66.055 2.687 66.847 1.00 0.00 WT1 H ATOM 17580 H2 TIP3 5821 64.808 1.885 67.156 1.00 0.00 WT1 H ATOM 17581 OH2 TIP3 5822 64.666 75.215 -15.426 1.00 0.00 WT1 O ATOM 17582 H1 TIP3 5822 65.402 74.740 -15.041 1.00 0.00 WT1 H ATOM 17583 H2 TIP3 5822 64.826 75.182 -16.369 1.00 0.00 WT1 H ATOM 17584 OH2 TIP3 5823 24.949 36.622 -11.521 1.00 0.00 WT1 O ATOM 17585 H1 TIP3 5823 24.534 37.358 -11.070 1.00 0.00 WT1 H ATOM 17586 H2 TIP3 5823 25.513 37.030 -12.178 1.00 0.00 WT1 H ATOM 17587 OH2 TIP3 5824 64.532 56.698 -13.935 1.00 0.00 WT1 O ATOM 17588 H1 TIP3 5824 63.962 57.424 -14.186 1.00 0.00 WT1 H ATOM 17589 H2 TIP3 5824 65.165 57.087 -13.332 1.00 0.00 WT1 H ATOM 17590 OH2 TIP3 5826 69.272 59.445 30.820 1.00 0.00 WT1 O ATOM 17591 H1 TIP3 5826 68.894 59.712 31.657 1.00 0.00 WT1 H ATOM 17592 H2 TIP3 5826 69.030 60.145 30.213 1.00 0.00 WT1 H ATOM 17593 OH2 TIP3 5827 84.418 3.186 50.066 1.00 0.00 WT1 O ATOM 17594 H1 TIP3 5827 84.435 4.142 50.107 1.00 0.00 WT1 H ATOM 17595 H2 TIP3 5827 84.250 2.989 49.144 1.00 0.00 WT1 H ATOM 17596 OH2 TIP3 5828 27.337 1.820 -16.817 1.00 0.00 WT1 O ATOM 17597 H1 TIP3 5828 27.115 0.894 -16.915 1.00 0.00 WT1 H ATOM 17598 H2 TIP3 5828 27.747 1.879 -15.954 1.00 0.00 WT1 H ATOM 17599 OH2 TIP3 5830 57.035 75.212 26.583 1.00 0.00 WT1 O ATOM 17600 H1 TIP3 5830 56.806 74.322 26.848 1.00 0.00 WT1 H ATOM 17601 H2 TIP3 5830 56.344 75.467 25.973 1.00 0.00 WT1 H ATOM 17602 OH2 TIP3 5831 88.653 52.675 29.852 1.00 0.00 WT1 O ATOM 17603 H1 TIP3 5831 89.375 52.445 29.266 1.00 0.00 WT1 H ATOM 17604 H2 TIP3 5831 87.876 52.311 29.429 1.00 0.00 WT1 H ATOM 17605 OH2 TIP3 5832 50.036 36.485 -19.462 1.00 0.00 WT1 O ATOM 17606 H1 TIP3 5832 50.432 37.241 -19.029 1.00 0.00 WT1 H ATOM 17607 H2 TIP3 5832 50.315 35.734 -18.937 1.00 0.00 WT1 H ATOM 17608 OH2 TIP3 5833 40.908 70.053 52.253 1.00 0.00 WT1 O ATOM 17609 H1 TIP3 5833 41.540 69.594 51.700 1.00 0.00 WT1 H ATOM 17610 H2 TIP3 5833 40.999 69.643 53.113 1.00 0.00 WT1 H ATOM 17611 OH2 TIP3 5834 46.965 31.484 57.232 1.00 0.00 WT1 O ATOM 17612 H1 TIP3 5834 47.711 31.883 56.784 1.00 0.00 WT1 H ATOM 17613 H2 TIP3 5834 47.209 31.490 58.157 1.00 0.00 WT1 H ATOM 17614 OH2 TIP3 5835 50.622 90.613 15.024 1.00 0.00 WT1 O ATOM 17615 H1 TIP3 5835 50.957 91.489 15.215 1.00 0.00 WT1 H ATOM 17616 H2 TIP3 5835 50.702 90.139 15.851 1.00 0.00 WT1 H ATOM 17617 OH2 TIP3 5836 47.621 76.642 31.689 1.00 0.00 WT1 O ATOM 17618 H1 TIP3 5836 47.499 75.791 31.267 1.00 0.00 WT1 H ATOM 17619 H2 TIP3 5836 48.037 76.436 32.527 1.00 0.00 WT1 H ATOM 17620 OH2 TIP3 5837 38.924 67.885 -2.955 1.00 0.00 WT1 O ATOM 17621 H1 TIP3 5837 39.347 67.565 -2.158 1.00 0.00 WT1 H ATOM 17622 H2 TIP3 5837 38.220 67.258 -3.121 1.00 0.00 WT1 H ATOM 17623 OH2 TIP3 5838 82.682 74.809 -2.533 1.00 0.00 WT1 O ATOM 17624 H1 TIP3 5838 81.868 75.312 -2.521 1.00 0.00 WT1 H ATOM 17625 H2 TIP3 5838 82.405 73.909 -2.707 1.00 0.00 WT1 H ATOM 17626 OH2 TIP3 5839 33.640 27.392 23.507 1.00 0.00 WT1 O ATOM 17627 H1 TIP3 5839 34.343 27.379 22.859 1.00 0.00 WT1 H ATOM 17628 H2 TIP3 5839 32.912 26.938 23.082 1.00 0.00 WT1 H ATOM 17629 OH2 TIP3 5840 89.347 56.730 4.742 1.00 0.00 WT1 O ATOM 17630 H1 TIP3 5840 88.609 56.254 5.123 1.00 0.00 WT1 H ATOM 17631 H2 TIP3 5840 89.468 56.332 3.879 1.00 0.00 WT1 H ATOM 17632 OH2 TIP3 5841 82.038 9.326 50.653 1.00 0.00 WT1 O ATOM 17633 H1 TIP3 5841 81.245 9.860 50.614 1.00 0.00 WT1 H ATOM 17634 H2 TIP3 5841 81.768 8.530 51.112 1.00 0.00 WT1 H ATOM 17635 OH2 TIP3 5842 57.712 4.054 -2.277 1.00 0.00 WT1 O ATOM 17636 H1 TIP3 5842 56.784 4.131 -2.055 1.00 0.00 WT1 H ATOM 17637 H2 TIP3 5842 58.146 3.893 -1.439 1.00 0.00 WT1 H ATOM 17638 OH2 TIP3 5843 72.393 78.947 55.636 1.00 0.00 WT1 O ATOM 17639 H1 TIP3 5843 72.684 78.041 55.533 1.00 0.00 WT1 H ATOM 17640 H2 TIP3 5843 71.522 78.966 55.238 1.00 0.00 WT1 H ATOM 17641 OH2 TIP3 5844 60.654 91.460 -2.112 1.00 0.00 WT1 O ATOM 17642 H1 TIP3 5844 59.922 90.881 -1.901 1.00 0.00 WT1 H ATOM 17643 H2 TIP3 5844 60.287 92.095 -2.727 1.00 0.00 WT1 H ATOM 17644 OH2 TIP3 5845 22.913 22.120 4.931 1.00 0.00 WT1 O ATOM 17645 H1 TIP3 5845 23.476 22.791 4.544 1.00 0.00 WT1 H ATOM 17646 H2 TIP3 5845 22.610 22.506 5.753 1.00 0.00 WT1 H ATOM 17647 OH2 TIP3 5846 79.118 34.688 12.624 1.00 0.00 WT1 O ATOM 17648 H1 TIP3 5846 79.652 33.895 12.589 1.00 0.00 WT1 H ATOM 17649 H2 TIP3 5846 78.247 34.403 12.348 1.00 0.00 WT1 H ATOM 17650 OH2 TIP3 5847 52.975 35.209 46.537 1.00 0.00 WT1 O ATOM 17651 H1 TIP3 5847 53.921 35.088 46.455 1.00 0.00 WT1 H ATOM 17652 H2 TIP3 5847 52.605 34.700 45.815 1.00 0.00 WT1 H ATOM 17653 OH2 TIP3 5848 67.336 25.183 62.980 1.00 0.00 WT1 O ATOM 17654 H1 TIP3 5848 67.985 25.431 62.321 1.00 0.00 WT1 H ATOM 17655 H2 TIP3 5848 67.840 25.084 63.787 1.00 0.00 WT1 H ATOM 17656 OH2 TIP3 5850 78.515 73.441 -3.409 1.00 0.00 WT1 O ATOM 17657 H1 TIP3 5850 78.456 72.659 -2.859 1.00 0.00 WT1 H ATOM 17658 H2 TIP3 5850 78.982 73.148 -4.191 1.00 0.00 WT1 H ATOM 17659 OH2 TIP3 5851 25.596 47.052 36.115 1.00 0.00 WT1 O ATOM 17660 H1 TIP3 5851 25.291 47.943 36.286 1.00 0.00 WT1 H ATOM 17661 H2 TIP3 5851 25.026 46.733 35.416 1.00 0.00 WT1 H ATOM 17662 OH2 TIP3 5852 34.122 6.862 -5.539 1.00 0.00 WT1 O ATOM 17663 H1 TIP3 5852 33.725 6.620 -4.703 1.00 0.00 WT1 H ATOM 17664 H2 TIP3 5852 33.846 7.768 -5.682 1.00 0.00 WT1 H ATOM 17665 OH2 TIP3 5853 84.997 39.884 47.922 1.00 0.00 WT1 O ATOM 17666 H1 TIP3 5853 84.882 40.560 48.590 1.00 0.00 WT1 H ATOM 17667 H2 TIP3 5853 85.934 39.897 47.726 1.00 0.00 WT1 H ATOM 17668 OH2 TIP3 5854 67.040 70.947 30.506 1.00 0.00 WT1 O ATOM 17669 H1 TIP3 5854 66.945 70.809 29.564 1.00 0.00 WT1 H ATOM 17670 H2 TIP3 5854 67.309 70.094 30.848 1.00 0.00 WT1 H ATOM 17671 OH2 TIP3 5855 37.166 86.837 -15.193 1.00 0.00 WT1 O ATOM 17672 H1 TIP3 5855 36.814 86.079 -14.727 1.00 0.00 WT1 H ATOM 17673 H2 TIP3 5855 36.393 87.299 -15.518 1.00 0.00 WT1 H ATOM 17674 OH2 TIP3 5856 88.593 53.792 35.408 1.00 0.00 WT1 O ATOM 17675 H1 TIP3 5856 88.984 54.260 36.146 1.00 0.00 WT1 H ATOM 17676 H2 TIP3 5856 88.530 54.447 34.714 1.00 0.00 WT1 H ATOM 17677 OH2 TIP3 5857 40.628 68.351 54.320 1.00 0.00 WT1 O ATOM 17678 H1 TIP3 5857 41.419 68.440 54.851 1.00 0.00 WT1 H ATOM 17679 H2 TIP3 5857 40.608 67.427 54.072 1.00 0.00 WT1 H ATOM 17680 OH2 TIP3 5858 27.859 81.998 30.549 1.00 0.00 WT1 O ATOM 17681 H1 TIP3 5858 28.587 82.592 30.731 1.00 0.00 WT1 H ATOM 17682 H2 TIP3 5858 27.242 82.148 31.265 1.00 0.00 WT1 H ATOM 17683 OH2 TIP3 5859 31.179 88.179 -0.873 1.00 0.00 WT1 O ATOM 17684 H1 TIP3 5859 31.649 89.009 -0.956 1.00 0.00 WT1 H ATOM 17685 H2 TIP3 5859 31.369 87.885 0.018 1.00 0.00 WT1 H ATOM 17686 OH2 TIP3 5860 68.394 10.172 39.271 1.00 0.00 WT1 O ATOM 17687 H1 TIP3 5860 67.712 10.716 38.876 1.00 0.00 WT1 H ATOM 17688 H2 TIP3 5860 68.682 9.598 38.561 1.00 0.00 WT1 H ATOM 17689 OH2 TIP3 5861 30.599 4.617 29.598 1.00 0.00 WT1 O ATOM 17690 H1 TIP3 5861 30.397 5.505 29.301 1.00 0.00 WT1 H ATOM 17691 H2 TIP3 5861 30.282 4.051 28.894 1.00 0.00 WT1 H ATOM 17692 OH2 TIP3 5862 26.025 57.748 6.283 1.00 0.00 WT1 O ATOM 17693 H1 TIP3 5862 26.836 57.425 6.674 1.00 0.00 WT1 H ATOM 17694 H2 TIP3 5862 25.750 58.464 6.855 1.00 0.00 WT1 H ATOM 17695 OH2 TIP3 5863 61.018 89.031 2.249 1.00 0.00 WT1 O ATOM 17696 H1 TIP3 5863 61.660 89.189 1.557 1.00 0.00 WT1 H ATOM 17697 H2 TIP3 5863 60.759 89.905 2.540 1.00 0.00 WT1 H ATOM 17698 OH2 TIP3 5865 48.893 94.680 33.615 1.00 0.00 WT1 O ATOM 17699 H1 TIP3 5865 49.680 94.137 33.675 1.00 0.00 WT1 H ATOM 17700 H2 TIP3 5865 48.953 95.095 32.755 1.00 0.00 WT1 H ATOM 17701 OH2 TIP3 5866 42.413 39.424 58.545 1.00 0.00 WT1 O ATOM 17702 H1 TIP3 5866 43.055 40.092 58.302 1.00 0.00 WT1 H ATOM 17703 H2 TIP3 5866 42.265 38.928 57.740 1.00 0.00 WT1 H ATOM 17704 OH2 TIP3 5867 83.729 88.627 26.931 1.00 0.00 WT1 O ATOM 17705 H1 TIP3 5867 83.854 89.087 27.761 1.00 0.00 WT1 H ATOM 17706 H2 TIP3 5867 83.629 87.708 27.178 1.00 0.00 WT1 H ATOM 17707 OH2 TIP3 5868 35.055 95.632 55.654 1.00 0.00 WT1 O ATOM 17708 H1 TIP3 5868 35.243 94.698 55.745 1.00 0.00 WT1 H ATOM 17709 H2 TIP3 5868 35.878 96.014 55.349 1.00 0.00 WT1 H ATOM 17710 OH2 TIP3 5869 28.590 33.180 10.485 1.00 0.00 WT1 O ATOM 17711 H1 TIP3 5869 29.184 32.638 11.003 1.00 0.00 WT1 H ATOM 17712 H2 TIP3 5869 29.165 33.680 9.906 1.00 0.00 WT1 H ATOM 17713 OH2 TIP3 5871 55.279 31.294 -5.333 1.00 0.00 WT1 O ATOM 17714 H1 TIP3 5871 54.567 31.628 -5.877 1.00 0.00 WT1 H ATOM 17715 H2 TIP3 5871 55.019 31.510 -4.437 1.00 0.00 WT1 H ATOM 17716 OH2 TIP3 5872 31.034 38.161 -3.728 1.00 0.00 WT1 O ATOM 17717 H1 TIP3 5872 30.408 38.182 -3.003 1.00 0.00 WT1 H ATOM 17718 H2 TIP3 5872 31.892 38.156 -3.304 1.00 0.00 WT1 H ATOM 17719 OH2 TIP3 5873 27.504 41.824 -9.945 1.00 0.00 WT1 O ATOM 17720 H1 TIP3 5873 27.553 42.292 -9.112 1.00 0.00 WT1 H ATOM 17721 H2 TIP3 5873 28.412 41.598 -10.148 1.00 0.00 WT1 H ATOM 17722 OH2 TIP3 5874 51.663 81.994 -10.437 1.00 0.00 WT1 O ATOM 17723 H1 TIP3 5874 51.648 81.055 -10.619 1.00 0.00 WT1 H ATOM 17724 H2 TIP3 5874 50.912 82.140 -9.862 1.00 0.00 WT1 H ATOM 17725 OH2 TIP3 5875 63.245 87.969 3.891 1.00 0.00 WT1 O ATOM 17726 H1 TIP3 5875 62.641 88.500 3.372 1.00 0.00 WT1 H ATOM 17727 H2 TIP3 5875 63.826 87.566 3.246 1.00 0.00 WT1 H ATOM 17728 OH2 TIP3 5876 79.897 14.291 57.252 1.00 0.00 WT1 O ATOM 17729 H1 TIP3 5876 79.346 14.411 56.479 1.00 0.00 WT1 H ATOM 17730 H2 TIP3 5876 80.790 14.261 56.908 1.00 0.00 WT1 H ATOM 17731 OH2 TIP3 5877 36.630 3.982 42.112 1.00 0.00 WT1 O ATOM 17732 H1 TIP3 5877 36.756 3.036 42.044 1.00 0.00 WT1 H ATOM 17733 H2 TIP3 5877 37.433 4.358 41.750 1.00 0.00 WT1 H ATOM 17734 OH2 TIP3 5878 58.981 36.471 63.383 1.00 0.00 WT1 O ATOM 17735 H1 TIP3 5878 59.156 36.394 64.321 1.00 0.00 WT1 H ATOM 17736 H2 TIP3 5878 59.424 35.717 62.993 1.00 0.00 WT1 H ATOM 17737 OH2 TIP3 5879 33.524 25.746 46.995 1.00 0.00 WT1 O ATOM 17738 H1 TIP3 5879 33.717 25.603 46.069 1.00 0.00 WT1 H ATOM 17739 H2 TIP3 5879 34.284 25.392 47.457 1.00 0.00 WT1 H ATOM 17740 OH2 TIP3 5880 51.818 91.054 -7.098 1.00 0.00 WT1 O ATOM 17741 H1 TIP3 5880 51.017 90.852 -7.581 1.00 0.00 WT1 H ATOM 17742 H2 TIP3 5880 51.564 91.747 -6.488 1.00 0.00 WT1 H ATOM 17743 OH2 TIP3 5881 71.613 72.986 -1.061 1.00 0.00 WT1 O ATOM 17744 H1 TIP3 5881 70.658 72.926 -1.061 1.00 0.00 WT1 H ATOM 17745 H2 TIP3 5881 71.883 72.521 -1.853 1.00 0.00 WT1 H ATOM 17746 OH2 TIP3 5882 88.389 85.147 25.934 1.00 0.00 WT1 O ATOM 17747 H1 TIP3 5882 87.880 84.742 25.232 1.00 0.00 WT1 H ATOM 17748 H2 TIP3 5882 88.871 84.421 26.330 1.00 0.00 WT1 H ATOM 17749 OH2 TIP3 5883 84.529 74.864 3.113 1.00 0.00 WT1 O ATOM 17750 H1 TIP3 5883 84.982 75.673 2.876 1.00 0.00 WT1 H ATOM 17751 H2 TIP3 5883 84.965 74.570 3.912 1.00 0.00 WT1 H ATOM 17752 OH2 TIP3 5884 83.257 74.948 -16.613 1.00 0.00 WT1 O ATOM 17753 H1 TIP3 5884 82.684 74.183 -16.666 1.00 0.00 WT1 H ATOM 17754 H2 TIP3 5884 84.096 74.644 -16.959 1.00 0.00 WT1 H ATOM 17755 OH2 TIP3 5885 27.736 8.775 12.239 1.00 0.00 WT1 O ATOM 17756 H1 TIP3 5885 28.203 8.799 11.404 1.00 0.00 WT1 H ATOM 17757 H2 TIP3 5885 27.707 9.688 12.524 1.00 0.00 WT1 H ATOM 17758 OH2 TIP3 5886 73.724 17.718 -0.253 1.00 0.00 WT1 O ATOM 17759 H1 TIP3 5886 73.319 17.739 0.613 1.00 0.00 WT1 H ATOM 17760 H2 TIP3 5886 73.275 17.007 -0.711 1.00 0.00 WT1 H ATOM 17761 OH2 TIP3 5887 64.995 53.112 11.464 1.00 0.00 WT1 O ATOM 17762 H1 TIP3 5887 64.494 53.268 10.664 1.00 0.00 WT1 H ATOM 17763 H2 TIP3 5887 64.365 52.722 12.070 1.00 0.00 WT1 H ATOM 17764 OH2 TIP3 5888 48.828 1.915 49.525 1.00 0.00 WT1 O ATOM 17765 H1 TIP3 5888 49.435 1.407 50.063 1.00 0.00 WT1 H ATOM 17766 H2 TIP3 5888 48.956 1.579 48.638 1.00 0.00 WT1 H ATOM 17767 OH2 TIP3 5889 41.065 32.273 -10.023 1.00 0.00 WT1 O ATOM 17768 H1 TIP3 5889 40.194 32.051 -9.695 1.00 0.00 WT1 H ATOM 17769 H2 TIP3 5889 41.233 33.152 -9.683 1.00 0.00 WT1 H ATOM 17770 OH2 TIP3 5890 69.859 78.892 47.165 1.00 0.00 WT1 O ATOM 17771 H1 TIP3 5890 69.072 79.201 47.614 1.00 0.00 WT1 H ATOM 17772 H2 TIP3 5890 69.725 77.949 47.067 1.00 0.00 WT1 H ATOM 17773 OH2 TIP3 5891 60.702 83.631 19.767 1.00 0.00 WT1 O ATOM 17774 H1 TIP3 5891 60.717 84.155 18.966 1.00 0.00 WT1 H ATOM 17775 H2 TIP3 5891 59.773 83.477 19.937 1.00 0.00 WT1 H ATOM 17776 OH2 TIP3 5893 54.508 32.014 16.535 1.00 0.00 WT1 O ATOM 17777 H1 TIP3 5893 54.365 32.040 17.481 1.00 0.00 WT1 H ATOM 17778 H2 TIP3 5893 53.907 31.339 16.219 1.00 0.00 WT1 H ATOM 17779 OH2 TIP3 5894 23.525 58.153 62.214 1.00 0.00 WT1 O ATOM 17780 H1 TIP3 5894 22.874 58.252 61.520 1.00 0.00 WT1 H ATOM 17781 H2 TIP3 5894 23.778 57.231 62.176 1.00 0.00 WT1 H ATOM 17782 OH2 TIP3 5896 80.303 56.367 -10.236 1.00 0.00 WT1 O ATOM 17783 H1 TIP3 5896 80.275 55.959 -9.371 1.00 0.00 WT1 H ATOM 17784 H2 TIP3 5896 81.217 56.289 -10.509 1.00 0.00 WT1 H ATOM 17785 OH2 TIP3 5897 21.126 28.993 65.127 1.00 0.00 WT1 O ATOM 17786 H1 TIP3 5897 21.454 28.786 66.003 1.00 0.00 WT1 H ATOM 17787 H2 TIP3 5897 20.243 29.331 65.274 1.00 0.00 WT1 H ATOM 17788 OH2 TIP3 5898 59.140 86.836 41.406 1.00 0.00 WT1 O ATOM 17789 H1 TIP3 5898 59.283 86.715 40.467 1.00 0.00 WT1 H ATOM 17790 H2 TIP3 5898 60.012 87.004 41.762 1.00 0.00 WT1 H ATOM 17791 OH2 TIP3 5899 40.089 0.949 -16.509 1.00 0.00 WT1 O ATOM 17792 H1 TIP3 5899 39.355 1.130 -15.921 1.00 0.00 WT1 H ATOM 17793 H2 TIP3 5899 39.902 0.080 -16.865 1.00 0.00 WT1 H ATOM 17794 OH2 TIP3 5900 29.554 35.896 56.480 1.00 0.00 WT1 O ATOM 17795 H1 TIP3 5900 29.837 36.687 56.022 1.00 0.00 WT1 H ATOM 17796 H2 TIP3 5900 30.229 35.747 57.141 1.00 0.00 WT1 H ATOM 17797 OH2 TIP3 5901 45.541 16.721 -17.897 1.00 0.00 WT1 O ATOM 17798 H1 TIP3 5901 45.587 17.451 -18.515 1.00 0.00 WT1 H ATOM 17799 H2 TIP3 5901 46.223 16.909 -17.252 1.00 0.00 WT1 H ATOM 17800 OH2 TIP3 5902 45.117 48.326 38.228 1.00 0.00 WT1 O ATOM 17801 H1 TIP3 5902 44.327 48.703 37.840 1.00 0.00 WT1 H ATOM 17802 H2 TIP3 5902 45.553 47.881 37.501 1.00 0.00 WT1 H ATOM 17803 OH2 TIP3 5903 26.866 21.228 10.532 1.00 0.00 WT1 O ATOM 17804 H1 TIP3 5903 27.276 21.260 9.668 1.00 0.00 WT1 H ATOM 17805 H2 TIP3 5903 27.244 21.970 11.005 1.00 0.00 WT1 H ATOM 17806 OH2 TIP3 5904 53.968 53.249 -4.978 1.00 0.00 WT1 O ATOM 17807 H1 TIP3 5904 54.067 53.160 -4.030 1.00 0.00 WT1 H ATOM 17808 H2 TIP3 5904 54.021 54.191 -5.138 1.00 0.00 WT1 H ATOM 17809 OH2 TIP3 5906 68.857 81.730 37.557 1.00 0.00 WT1 O ATOM 17810 H1 TIP3 5906 67.902 81.767 37.497 1.00 0.00 WT1 H ATOM 17811 H2 TIP3 5906 69.115 81.093 36.891 1.00 0.00 WT1 H ATOM 17812 OH2 TIP3 5907 52.810 3.749 64.296 1.00 0.00 WT1 O ATOM 17813 H1 TIP3 5907 52.309 3.177 64.878 1.00 0.00 WT1 H ATOM 17814 H2 TIP3 5907 53.253 3.150 63.695 1.00 0.00 WT1 H ATOM 17815 OH2 TIP3 5909 60.138 3.926 12.486 1.00 0.00 WT1 O ATOM 17816 H1 TIP3 5909 59.850 4.248 11.632 1.00 0.00 WT1 H ATOM 17817 H2 TIP3 5909 60.375 4.715 12.973 1.00 0.00 WT1 H ATOM 17818 OH2 TIP3 5911 40.959 16.609 -15.752 1.00 0.00 WT1 O ATOM 17819 H1 TIP3 5911 41.816 16.977 -15.537 1.00 0.00 WT1 H ATOM 17820 H2 TIP3 5911 40.961 15.743 -15.346 1.00 0.00 WT1 H ATOM 17821 OH2 TIP3 5912 67.748 88.479 57.155 1.00 0.00 WT1 O ATOM 17822 H1 TIP3 5912 67.016 88.211 56.601 1.00 0.00 WT1 H ATOM 17823 H2 TIP3 5912 67.423 89.245 57.628 1.00 0.00 WT1 H ATOM 17824 OH2 TIP3 5914 48.025 9.916 22.549 1.00 0.00 WT1 O ATOM 17825 H1 TIP3 5914 48.043 10.517 21.805 1.00 0.00 WT1 H ATOM 17826 H2 TIP3 5914 47.400 9.237 22.294 1.00 0.00 WT1 H ATOM 17827 OH2 TIP3 5915 47.995 18.758 -8.543 1.00 0.00 WT1 O ATOM 17828 H1 TIP3 5915 47.205 18.231 -8.423 1.00 0.00 WT1 H ATOM 17829 H2 TIP3 5915 48.591 18.456 -7.858 1.00 0.00 WT1 H ATOM 17830 OH2 TIP3 5916 52.309 85.863 49.777 1.00 0.00 WT1 O ATOM 17831 H1 TIP3 5916 51.595 85.268 50.005 1.00 0.00 WT1 H ATOM 17832 H2 TIP3 5916 53.079 85.490 50.206 1.00 0.00 WT1 H ATOM 17833 OH2 TIP3 5917 45.185 92.300 19.204 1.00 0.00 WT1 O ATOM 17834 H1 TIP3 5917 44.476 91.884 18.713 1.00 0.00 WT1 H ATOM 17835 H2 TIP3 5917 45.975 91.842 18.919 1.00 0.00 WT1 H ATOM 17836 OH2 TIP3 5919 48.203 93.924 61.407 1.00 0.00 WT1 O ATOM 17837 H1 TIP3 5919 48.397 94.595 60.753 1.00 0.00 WT1 H ATOM 17838 H2 TIP3 5919 48.194 94.397 62.240 1.00 0.00 WT1 H ATOM 17839 OH2 TIP3 5920 49.496 45.655 63.572 1.00 0.00 WT1 O ATOM 17840 H1 TIP3 5920 49.896 44.786 63.599 1.00 0.00 WT1 H ATOM 17841 H2 TIP3 5920 49.682 45.978 62.691 1.00 0.00 WT1 H ATOM 17842 OH2 TIP3 5921 48.593 10.879 46.345 1.00 0.00 WT1 O ATOM 17843 H1 TIP3 5921 49.175 11.508 45.919 1.00 0.00 WT1 H ATOM 17844 H2 TIP3 5921 47.774 10.938 45.853 1.00 0.00 WT1 H ATOM 17845 OH2 TIP3 5923 40.388 87.342 -8.070 1.00 0.00 WT1 O ATOM 17846 H1 TIP3 5923 39.874 86.535 -8.038 1.00 0.00 WT1 H ATOM 17847 H2 TIP3 5923 39.740 88.034 -8.204 1.00 0.00 WT1 H ATOM 17848 OH2 TIP3 5924 71.926 56.412 0.916 1.00 0.00 WT1 O ATOM 17849 H1 TIP3 5924 70.979 56.275 0.908 1.00 0.00 WT1 H ATOM 17850 H2 TIP3 5924 72.278 55.633 1.346 1.00 0.00 WT1 H ATOM 17851 OH2 TIP3 5925 57.601 86.245 1.056 1.00 0.00 WT1 O ATOM 17852 H1 TIP3 5925 56.930 86.708 1.557 1.00 0.00 WT1 H ATOM 17853 H2 TIP3 5925 57.171 85.441 0.764 1.00 0.00 WT1 H ATOM 17854 OH2 TIP3 5926 72.310 60.545 16.804 1.00 0.00 WT1 O ATOM 17855 H1 TIP3 5926 72.674 60.481 17.686 1.00 0.00 WT1 H ATOM 17856 H2 TIP3 5926 71.498 60.040 16.842 1.00 0.00 WT1 H ATOM 17857 OH2 TIP3 5927 63.669 30.093 32.417 1.00 0.00 WT1 O ATOM 17858 H1 TIP3 5927 64.443 30.580 32.135 1.00 0.00 WT1 H ATOM 17859 H2 TIP3 5927 63.413 29.583 31.648 1.00 0.00 WT1 H ATOM 17860 OH2 TIP3 5928 77.593 42.342 8.361 1.00 0.00 WT1 O ATOM 17861 H1 TIP3 5928 77.044 42.082 9.100 1.00 0.00 WT1 H ATOM 17862 H2 TIP3 5928 77.011 42.297 7.602 1.00 0.00 WT1 H ATOM 17863 OH2 TIP3 5929 37.458 75.526 21.180 1.00 0.00 WT1 O ATOM 17864 H1 TIP3 5929 37.382 75.127 22.047 1.00 0.00 WT1 H ATOM 17865 H2 TIP3 5929 38.377 75.408 20.941 1.00 0.00 WT1 H ATOM 17866 OH2 TIP3 5930 40.818 43.647 41.057 1.00 0.00 WT1 O ATOM 17867 H1 TIP3 5930 39.872 43.514 41.126 1.00 0.00 WT1 H ATOM 17868 H2 TIP3 5930 41.151 43.462 41.935 1.00 0.00 WT1 H ATOM 17869 OH2 TIP3 5931 85.561 56.081 66.778 1.00 0.00 WT1 O ATOM 17870 H1 TIP3 5931 85.076 55.513 66.179 1.00 0.00 WT1 H ATOM 17871 H2 TIP3 5931 85.824 55.504 67.495 1.00 0.00 WT1 H ATOM 17872 OH2 TIP3 5932 57.364 32.875 37.499 1.00 0.00 WT1 O ATOM 17873 H1 TIP3 5932 57.231 33.814 37.366 1.00 0.00 WT1 H ATOM 17874 H2 TIP3 5932 58.313 32.775 37.574 1.00 0.00 WT1 H ATOM 17875 OH2 TIP3 5934 32.275 48.582 29.563 1.00 0.00 WT1 O ATOM 17876 H1 TIP3 5934 32.701 47.858 30.023 1.00 0.00 WT1 H ATOM 17877 H2 TIP3 5934 31.896 48.180 28.782 1.00 0.00 WT1 H ATOM 17878 OH2 TIP3 5936 33.817 33.782 3.684 1.00 0.00 WT1 O ATOM 17879 H1 TIP3 5936 33.138 33.498 4.296 1.00 0.00 WT1 H ATOM 17880 H2 TIP3 5936 33.925 34.716 3.864 1.00 0.00 WT1 H ATOM 17881 OH2 TIP3 5937 76.998 41.374 14.698 1.00 0.00 WT1 O ATOM 17882 H1 TIP3 5937 76.156 41.829 14.721 1.00 0.00 WT1 H ATOM 17883 H2 TIP3 5937 77.562 41.939 14.170 1.00 0.00 WT1 H ATOM 17884 OH2 TIP3 5939 25.910 41.811 22.657 1.00 0.00 WT1 O ATOM 17885 H1 TIP3 5939 26.843 41.752 22.863 1.00 0.00 WT1 H ATOM 17886 H2 TIP3 5939 25.819 41.348 21.824 1.00 0.00 WT1 H ATOM 17887 OH2 TIP3 5941 28.859 53.892 27.797 1.00 0.00 WT1 O ATOM 17888 H1 TIP3 5941 29.051 53.571 26.916 1.00 0.00 WT1 H ATOM 17889 H2 TIP3 5941 29.237 54.771 27.820 1.00 0.00 WT1 H ATOM 17890 OH2 TIP3 5942 88.488 96.549 38.103 1.00 0.00 WT1 O ATOM 17891 H1 TIP3 5942 89.303 96.049 38.054 1.00 0.00 WT1 H ATOM 17892 H2 TIP3 5942 87.915 96.138 37.456 1.00 0.00 WT1 H ATOM 17893 OH2 TIP3 5943 45.337 93.400 27.223 1.00 0.00 WT1 O ATOM 17894 H1 TIP3 5943 45.663 92.543 26.948 1.00 0.00 WT1 H ATOM 17895 H2 TIP3 5943 45.398 93.385 28.178 1.00 0.00 WT1 H ATOM 17896 OH2 TIP3 5944 52.098 23.385 35.330 1.00 0.00 WT1 O ATOM 17897 H1 TIP3 5944 52.012 22.710 34.656 1.00 0.00 WT1 H ATOM 17898 H2 TIP3 5944 51.197 23.639 35.530 1.00 0.00 WT1 H ATOM 17899 OH2 TIP3 5945 82.742 70.537 58.082 1.00 0.00 WT1 O ATOM 17900 H1 TIP3 5945 82.741 69.581 58.129 1.00 0.00 WT1 H ATOM 17901 H2 TIP3 5945 83.197 70.737 57.263 1.00 0.00 WT1 H ATOM 17902 OH2 TIP3 5946 27.279 23.041 -7.346 1.00 0.00 WT1 O ATOM 17903 H1 TIP3 5946 27.258 23.417 -6.466 1.00 0.00 WT1 H ATOM 17904 H2 TIP3 5946 26.382 23.134 -7.667 1.00 0.00 WT1 H ATOM 17905 OH2 TIP3 5947 37.221 29.467 -4.995 1.00 0.00 WT1 O ATOM 17906 H1 TIP3 5947 37.275 30.421 -4.939 1.00 0.00 WT1 H ATOM 17907 H2 TIP3 5947 37.247 29.172 -4.085 1.00 0.00 WT1 H ATOM 17908 OH2 TIP3 5948 37.017 59.615 -17.465 1.00 0.00 WT1 O ATOM 17909 H1 TIP3 5948 37.379 60.265 -18.068 1.00 0.00 WT1 H ATOM 17910 H2 TIP3 5948 36.872 60.097 -16.651 1.00 0.00 WT1 H ATOM 17911 OH2 TIP3 5949 49.717 55.518 4.407 1.00 0.00 WT1 O ATOM 17912 H1 TIP3 5949 48.945 56.047 4.205 1.00 0.00 WT1 H ATOM 17913 H2 TIP3 5949 50.391 56.157 4.638 1.00 0.00 WT1 H ATOM 17914 OH2 TIP3 5950 50.955 22.704 -8.272 1.00 0.00 WT1 O ATOM 17915 H1 TIP3 5950 50.946 21.965 -8.881 1.00 0.00 WT1 H ATOM 17916 H2 TIP3 5950 50.332 22.459 -7.588 1.00 0.00 WT1 H ATOM 17917 OH2 TIP3 5951 23.211 44.248 16.852 1.00 0.00 WT1 O ATOM 17918 H1 TIP3 5951 22.649 43.603 16.423 1.00 0.00 WT1 H ATOM 17919 H2 TIP3 5951 23.115 44.066 17.786 1.00 0.00 WT1 H ATOM 17920 OH2 TIP3 5952 26.950 23.769 -19.382 1.00 0.00 WT1 O ATOM 17921 H1 TIP3 5952 26.453 24.519 -19.054 1.00 0.00 WT1 H ATOM 17922 H2 TIP3 5952 26.554 23.012 -18.952 1.00 0.00 WT1 H ATOM 17923 OH2 TIP3 5953 81.675 59.591 2.695 1.00 0.00 WT1 O ATOM 17924 H1 TIP3 5953 81.127 59.069 3.281 1.00 0.00 WT1 H ATOM 17925 H2 TIP3 5953 82.550 59.548 3.082 1.00 0.00 WT1 H ATOM 17926 OH2 TIP3 5954 73.506 19.098 40.058 1.00 0.00 WT1 O ATOM 17927 H1 TIP3 5954 73.257 19.631 39.303 1.00 0.00 WT1 H ATOM 17928 H2 TIP3 5954 72.944 18.325 40.002 1.00 0.00 WT1 H ATOM 17929 OH2 TIP3 5955 68.695 6.931 -4.168 1.00 0.00 WT1 O ATOM 17930 H1 TIP3 5955 68.952 6.878 -3.248 1.00 0.00 WT1 H ATOM 17931 H2 TIP3 5955 67.927 6.364 -4.237 1.00 0.00 WT1 H ATOM 17932 OH2 TIP3 5956 52.187 49.213 53.403 1.00 0.00 WT1 O ATOM 17933 H1 TIP3 5956 51.693 50.032 53.387 1.00 0.00 WT1 H ATOM 17934 H2 TIP3 5956 51.789 48.679 52.716 1.00 0.00 WT1 H ATOM 17935 OH2 TIP3 5957 79.870 22.900 57.264 1.00 0.00 WT1 O ATOM 17936 H1 TIP3 5957 79.687 23.627 56.668 1.00 0.00 WT1 H ATOM 17937 H2 TIP3 5957 80.812 22.953 57.425 1.00 0.00 WT1 H ATOM 17938 OH2 TIP3 5958 36.380 15.204 41.902 1.00 0.00 WT1 O ATOM 17939 H1 TIP3 5958 35.495 15.289 41.549 1.00 0.00 WT1 H ATOM 17940 H2 TIP3 5958 36.950 15.504 41.194 1.00 0.00 WT1 H ATOM 17941 OH2 TIP3 5959 68.549 49.072 -9.569 1.00 0.00 WT1 O ATOM 17942 H1 TIP3 5959 69.082 48.974 -8.780 1.00 0.00 WT1 H ATOM 17943 H2 TIP3 5959 68.705 49.972 -9.854 1.00 0.00 WT1 H ATOM 17944 OH2 TIP3 5960 22.931 19.846 37.445 1.00 0.00 WT1 O ATOM 17945 H1 TIP3 5960 22.503 19.985 36.600 1.00 0.00 WT1 H ATOM 17946 H2 TIP3 5960 23.752 20.334 37.381 1.00 0.00 WT1 H ATOM 17947 OH2 TIP3 5961 35.983 47.168 25.711 1.00 0.00 WT1 O ATOM 17948 H1 TIP3 5961 36.660 46.756 26.248 1.00 0.00 WT1 H ATOM 17949 H2 TIP3 5961 35.612 46.449 25.199 1.00 0.00 WT1 H ATOM 17950 OH2 TIP3 5963 73.003 21.649 16.117 1.00 0.00 WT1 O ATOM 17951 H1 TIP3 5963 72.062 21.573 15.957 1.00 0.00 WT1 H ATOM 17952 H2 TIP3 5963 73.130 22.561 16.376 1.00 0.00 WT1 H ATOM 17953 OH2 TIP3 5965 87.460 66.308 56.360 1.00 0.00 WT1 O ATOM 17954 H1 TIP3 5965 87.145 66.488 57.246 1.00 0.00 WT1 H ATOM 17955 H2 TIP3 5965 86.975 65.530 56.086 1.00 0.00 WT1 H ATOM 17956 OH2 TIP3 5966 64.614 79.664 24.673 1.00 0.00 WT1 O ATOM 17957 H1 TIP3 5966 65.183 79.270 24.012 1.00 0.00 WT1 H ATOM 17958 H2 TIP3 5966 64.282 78.922 25.178 1.00 0.00 WT1 H ATOM 17959 OH2 TIP3 5968 39.133 83.330 -13.221 1.00 0.00 WT1 O ATOM 17960 H1 TIP3 5968 39.817 83.929 -13.519 1.00 0.00 WT1 H ATOM 17961 H2 TIP3 5968 39.507 82.903 -12.450 1.00 0.00 WT1 H ATOM 17962 OH2 TIP3 5969 33.253 66.507 53.407 1.00 0.00 WT1 O ATOM 17963 H1 TIP3 5969 33.903 67.209 53.422 1.00 0.00 WT1 H ATOM 17964 H2 TIP3 5969 33.465 66.000 52.624 1.00 0.00 WT1 H ATOM 17965 OH2 TIP3 5970 78.865 32.449 19.723 1.00 0.00 WT1 O ATOM 17966 H1 TIP3 5970 78.059 31.958 19.882 1.00 0.00 WT1 H ATOM 17967 H2 TIP3 5970 79.566 31.836 19.946 1.00 0.00 WT1 H ATOM 17968 OH2 TIP3 5971 59.660 11.350 43.571 1.00 0.00 WT1 O ATOM 17969 H1 TIP3 5971 59.538 11.236 44.514 1.00 0.00 WT1 H ATOM 17970 H2 TIP3 5971 59.068 12.065 43.338 1.00 0.00 WT1 H ATOM 17971 OH2 TIP3 5972 42.773 43.225 44.294 1.00 0.00 WT1 O ATOM 17972 H1 TIP3 5972 43.578 43.643 43.987 1.00 0.00 WT1 H ATOM 17973 H2 TIP3 5972 42.844 42.319 43.993 1.00 0.00 WT1 H ATOM 17974 OH2 TIP3 5973 30.855 47.195 -5.034 1.00 0.00 WT1 O ATOM 17975 H1 TIP3 5973 30.964 48.145 -5.000 1.00 0.00 WT1 H ATOM 17976 H2 TIP3 5973 30.298 47.044 -5.798 1.00 0.00 WT1 H ATOM 17977 OH2 TIP3 5974 32.278 45.357 41.616 1.00 0.00 WT1 O ATOM 17978 H1 TIP3 5974 31.539 44.754 41.535 1.00 0.00 WT1 H ATOM 17979 H2 TIP3 5974 32.194 45.721 42.497 1.00 0.00 WT1 H ATOM 17980 OH2 TIP3 5975 36.636 27.354 44.509 1.00 0.00 WT1 O ATOM 17981 H1 TIP3 5975 36.017 28.079 44.595 1.00 0.00 WT1 H ATOM 17982 H2 TIP3 5975 36.192 26.726 43.940 1.00 0.00 WT1 H ATOM 17983 OH2 TIP3 5977 78.975 60.602 6.548 1.00 0.00 WT1 O ATOM 17984 H1 TIP3 5977 78.823 59.919 7.201 1.00 0.00 WT1 H ATOM 17985 H2 TIP3 5977 78.436 61.337 6.839 1.00 0.00 WT1 H ATOM 17986 OH2 TIP3 5978 43.392 53.302 47.510 1.00 0.00 WT1 O ATOM 17987 H1 TIP3 5978 42.595 53.021 47.061 1.00 0.00 WT1 H ATOM 17988 H2 TIP3 5978 43.117 53.454 48.414 1.00 0.00 WT1 H ATOM 17989 OH2 TIP3 5979 55.118 3.645 -15.218 1.00 0.00 WT1 O ATOM 17990 H1 TIP3 5979 55.358 2.835 -14.767 1.00 0.00 WT1 H ATOM 17991 H2 TIP3 5979 55.883 4.211 -15.117 1.00 0.00 WT1 H ATOM 17992 OH2 TIP3 5980 23.440 47.244 -8.294 1.00 0.00 WT1 O ATOM 17993 H1 TIP3 5980 24.040 47.049 -9.014 1.00 0.00 WT1 H ATOM 17994 H2 TIP3 5980 23.211 48.165 -8.416 1.00 0.00 WT1 H ATOM 17995 OH2 TIP3 5981 87.558 50.685 9.259 1.00 0.00 WT1 O ATOM 17996 H1 TIP3 5981 87.943 50.027 9.838 1.00 0.00 WT1 H ATOM 17997 H2 TIP3 5981 88.308 51.088 8.822 1.00 0.00 WT1 H ATOM 17998 OH2 TIP3 5982 60.528 27.783 -2.609 1.00 0.00 WT1 O ATOM 17999 H1 TIP3 5982 60.231 27.314 -3.389 1.00 0.00 WT1 H ATOM 18000 H2 TIP3 5982 61.003 27.125 -2.100 1.00 0.00 WT1 H ATOM 18001 OH2 TIP3 5983 68.082 85.650 33.326 1.00 0.00 WT1 O ATOM 18002 H1 TIP3 5983 68.872 85.133 33.172 1.00 0.00 WT1 H ATOM 18003 H2 TIP3 5983 67.392 85.180 32.856 1.00 0.00 WT1 H ATOM 18004 OH2 TIP3 5986 72.784 79.578 52.588 1.00 0.00 WT1 O ATOM 18005 H1 TIP3 5986 72.273 79.904 53.329 1.00 0.00 WT1 H ATOM 18006 H2 TIP3 5986 72.133 79.386 51.913 1.00 0.00 WT1 H ATOM 18007 OH2 TIP3 5987 36.772 71.007 -12.468 1.00 0.00 WT1 O ATOM 18008 H1 TIP3 5987 36.551 71.054 -11.538 1.00 0.00 WT1 H ATOM 18009 H2 TIP3 5987 37.714 71.175 -12.499 1.00 0.00 WT1 H ATOM 18010 OH2 TIP3 5988 62.053 66.204 55.611 1.00 0.00 WT1 O ATOM 18011 H1 TIP3 5988 61.715 65.696 54.873 1.00 0.00 WT1 H ATOM 18012 H2 TIP3 5988 62.997 66.048 55.598 1.00 0.00 WT1 H ATOM 18013 OH2 TIP3 5989 62.863 35.266 42.806 1.00 0.00 WT1 O ATOM 18014 H1 TIP3 5989 62.616 36.095 43.216 1.00 0.00 WT1 H ATOM 18015 H2 TIP3 5989 62.034 34.807 42.672 1.00 0.00 WT1 H ATOM 18016 OH2 TIP3 5990 48.005 12.008 -16.057 1.00 0.00 WT1 O ATOM 18017 H1 TIP3 5990 48.396 12.852 -15.833 1.00 0.00 WT1 H ATOM 18018 H2 TIP3 5990 47.892 11.564 -15.217 1.00 0.00 WT1 H ATOM 18019 OH2 TIP3 5991 42.367 45.558 16.812 1.00 0.00 WT1 O ATOM 18020 H1 TIP3 5991 43.070 45.887 16.253 1.00 0.00 WT1 H ATOM 18021 H2 TIP3 5991 42.421 46.091 17.606 1.00 0.00 WT1 H ATOM 18022 OH2 TIP3 5992 33.270 46.283 -6.198 1.00 0.00 WT1 O ATOM 18023 H1 TIP3 5992 32.629 46.399 -5.496 1.00 0.00 WT1 H ATOM 18024 H2 TIP3 5992 33.469 47.173 -6.490 1.00 0.00 WT1 H ATOM 18025 OH2 TIP3 5993 87.975 26.471 45.003 1.00 0.00 WT1 O ATOM 18026 H1 TIP3 5993 88.051 25.526 45.140 1.00 0.00 WT1 H ATOM 18027 H2 TIP3 5993 87.707 26.816 45.854 1.00 0.00 WT1 H ATOM 18028 OH2 TIP3 5994 30.150 96.993 33.204 1.00 0.00 WT1 O ATOM 18029 H1 TIP3 5994 29.681 96.323 32.706 1.00 0.00 WT1 H ATOM 18030 H2 TIP3 5994 30.922 96.541 33.544 1.00 0.00 WT1 H ATOM 18031 OH2 TIP3 5995 72.394 72.515 34.661 1.00 0.00 WT1 O ATOM 18032 H1 TIP3 5995 72.153 73.167 34.003 1.00 0.00 WT1 H ATOM 18033 H2 TIP3 5995 71.575 72.316 35.114 1.00 0.00 WT1 H ATOM 18034 OH2 TIP3 5996 78.615 33.386 17.140 1.00 0.00 WT1 O ATOM 18035 H1 TIP3 5996 78.883 33.219 18.044 1.00 0.00 WT1 H ATOM 18036 H2 TIP3 5996 79.335 33.045 16.610 1.00 0.00 WT1 H ATOM 18037 OH2 TIP3 5997 53.592 45.205 -15.544 1.00 0.00 WT1 O ATOM 18038 H1 TIP3 5997 52.693 45.019 -15.273 1.00 0.00 WT1 H ATOM 18039 H2 TIP3 5997 53.998 45.601 -14.773 1.00 0.00 WT1 H ATOM 18040 OH2 TIP3 5998 58.305 33.241 51.858 1.00 0.00 WT1 O ATOM 18041 H1 TIP3 5998 58.641 33.239 50.962 1.00 0.00 WT1 H ATOM 18042 H2 TIP3 5998 57.461 33.690 51.797 1.00 0.00 WT1 H ATOM 18043 OH2 TIP3 5999 63.796 62.421 -17.799 1.00 0.00 WT1 O ATOM 18044 H1 TIP3 5999 63.010 62.719 -18.257 1.00 0.00 WT1 H ATOM 18045 H2 TIP3 5999 63.495 61.693 -17.255 1.00 0.00 WT1 H ATOM 18046 OH2 TIP3 6001 62.626 47.137 -12.808 1.00 0.00 WT1 O ATOM 18047 H1 TIP3 6001 62.125 46.341 -12.630 1.00 0.00 WT1 H ATOM 18048 H2 TIP3 6001 62.758 47.534 -11.947 1.00 0.00 WT1 H ATOM 18049 OH2 TIP3 6004 73.319 15.862 61.421 1.00 0.00 WT1 O ATOM 18050 H1 TIP3 6004 72.574 15.799 62.019 1.00 0.00 WT1 H ATOM 18051 H2 TIP3 6004 72.987 16.364 60.677 1.00 0.00 WT1 H ATOM 18052 OH2 TIP3 6006 76.498 63.391 66.319 1.00 0.00 WT1 O ATOM 18053 H1 TIP3 6006 76.087 62.933 65.586 1.00 0.00 WT1 H ATOM 18054 H2 TIP3 6006 76.997 62.714 66.775 1.00 0.00 WT1 H ATOM 18055 OH2 TIP3 6007 70.356 35.841 8.434 1.00 0.00 WT1 O ATOM 18056 H1 TIP3 6007 69.947 36.701 8.336 1.00 0.00 WT1 H ATOM 18057 H2 TIP3 6007 69.917 35.451 9.191 1.00 0.00 WT1 H ATOM 18058 OH2 TIP3 6009 63.960 58.059 -1.322 1.00 0.00 WT1 O ATOM 18059 H1 TIP3 6009 63.046 58.328 -1.229 1.00 0.00 WT1 H ATOM 18060 H2 TIP3 6009 64.117 57.481 -0.575 1.00 0.00 WT1 H ATOM 18061 OH2 TIP3 6011 75.247 12.854 -7.868 1.00 0.00 WT1 O ATOM 18062 H1 TIP3 6011 74.411 13.208 -7.563 1.00 0.00 WT1 H ATOM 18063 H2 TIP3 6011 75.303 13.126 -8.784 1.00 0.00 WT1 H ATOM 18064 OH2 TIP3 6013 65.984 73.627 43.213 1.00 0.00 WT1 O ATOM 18065 H1 TIP3 6013 65.413 73.056 42.698 1.00 0.00 WT1 H ATOM 18066 H2 TIP3 6013 66.162 74.370 42.637 1.00 0.00 WT1 H ATOM 18067 OH2 TIP3 6014 48.902 44.139 3.545 1.00 0.00 WT1 O ATOM 18068 H1 TIP3 6014 48.896 43.615 4.346 1.00 0.00 WT1 H ATOM 18069 H2 TIP3 6014 49.829 44.284 3.359 1.00 0.00 WT1 H ATOM 18070 OH2 TIP3 6015 57.353 56.764 0.577 1.00 0.00 WT1 O ATOM 18071 H1 TIP3 6015 57.385 57.682 0.845 1.00 0.00 WT1 H ATOM 18072 H2 TIP3 6015 56.469 56.478 0.808 1.00 0.00 WT1 H ATOM 18073 OH2 TIP3 6016 26.822 32.200 60.033 1.00 0.00 WT1 O ATOM 18074 H1 TIP3 6016 27.418 32.794 59.577 1.00 0.00 WT1 H ATOM 18075 H2 TIP3 6016 26.984 32.363 60.962 1.00 0.00 WT1 H ATOM 18076 OH2 TIP3 6018 30.140 80.210 40.945 1.00 0.00 WT1 O ATOM 18077 H1 TIP3 6018 29.378 80.032 41.495 1.00 0.00 WT1 H ATOM 18078 H2 TIP3 6018 29.845 80.888 40.337 1.00 0.00 WT1 H ATOM 18079 OH2 TIP3 6019 68.295 26.592 60.190 1.00 0.00 WT1 O ATOM 18080 H1 TIP3 6019 68.716 27.179 59.562 1.00 0.00 WT1 H ATOM 18081 H2 TIP3 6019 67.372 26.846 60.174 1.00 0.00 WT1 H ATOM 18082 OH2 TIP3 6020 41.690 10.012 13.782 1.00 0.00 WT1 O ATOM 18083 H1 TIP3 6020 41.714 10.389 14.661 1.00 0.00 WT1 H ATOM 18084 H2 TIP3 6020 40.898 9.473 13.773 1.00 0.00 WT1 H ATOM 18085 OH2 TIP3 6021 49.939 41.480 8.394 1.00 0.00 WT1 O ATOM 18086 H1 TIP3 6021 50.202 42.337 8.728 1.00 0.00 WT1 H ATOM 18087 H2 TIP3 6021 50.214 40.862 9.072 1.00 0.00 WT1 H ATOM 18088 OH2 TIP3 6024 79.001 82.769 -8.490 1.00 0.00 WT1 O ATOM 18089 H1 TIP3 6024 78.707 83.043 -9.359 1.00 0.00 WT1 H ATOM 18090 H2 TIP3 6024 79.652 82.088 -8.660 1.00 0.00 WT1 H ATOM 18091 OH2 TIP3 6026 33.332 46.791 18.679 1.00 0.00 WT1 O ATOM 18092 H1 TIP3 6026 33.596 46.025 19.189 1.00 0.00 WT1 H ATOM 18093 H2 TIP3 6026 34.154 47.161 18.358 1.00 0.00 WT1 H ATOM 18094 OH2 TIP3 6027 59.178 35.302 9.627 1.00 0.00 WT1 O ATOM 18095 H1 TIP3 6027 58.377 35.769 9.867 1.00 0.00 WT1 H ATOM 18096 H2 TIP3 6027 59.867 35.965 9.677 1.00 0.00 WT1 H ATOM 18097 OH2 TIP3 6030 31.363 23.053 55.745 1.00 0.00 WT1 O ATOM 18098 H1 TIP3 6030 30.991 22.877 54.881 1.00 0.00 WT1 H ATOM 18099 H2 TIP3 6030 31.178 23.979 55.902 1.00 0.00 WT1 H ATOM 18100 OH2 TIP3 6031 37.975 67.475 -18.786 1.00 0.00 WT1 O ATOM 18101 H1 TIP3 6031 37.830 66.914 -19.548 1.00 0.00 WT1 H ATOM 18102 H2 TIP3 6031 37.922 68.367 -19.130 1.00 0.00 WT1 H ATOM 18103 OH2 TIP3 6032 52.607 32.187 -14.272 1.00 0.00 WT1 O ATOM 18104 H1 TIP3 6032 53.483 32.435 -13.978 1.00 0.00 WT1 H ATOM 18105 H2 TIP3 6032 52.086 32.153 -13.470 1.00 0.00 WT1 H ATOM 18106 OH2 TIP3 6034 51.739 86.443 41.525 1.00 0.00 WT1 O ATOM 18107 H1 TIP3 6034 51.688 87.146 42.172 1.00 0.00 WT1 H ATOM 18108 H2 TIP3 6034 52.672 86.365 41.328 1.00 0.00 WT1 H ATOM 18109 OH2 TIP3 6035 75.945 60.459 7.587 1.00 0.00 WT1 O ATOM 18110 H1 TIP3 6035 76.529 59.772 7.911 1.00 0.00 WT1 H ATOM 18111 H2 TIP3 6035 76.415 61.274 7.760 1.00 0.00 WT1 H ATOM 18112 OH2 TIP3 6036 78.635 34.493 0.873 1.00 0.00 WT1 O ATOM 18113 H1 TIP3 6036 77.749 34.515 0.512 1.00 0.00 WT1 H ATOM 18114 H2 TIP3 6036 78.732 33.605 1.218 1.00 0.00 WT1 H ATOM 18115 OH2 TIP3 6037 69.147 40.951 7.790 1.00 0.00 WT1 O ATOM 18116 H1 TIP3 6037 68.512 40.473 7.257 1.00 0.00 WT1 H ATOM 18117 H2 TIP3 6037 68.738 41.012 8.653 1.00 0.00 WT1 H ATOM 18118 OH2 TIP3 6039 57.578 33.766 8.252 1.00 0.00 WT1 O ATOM 18119 H1 TIP3 6039 58.326 34.184 8.678 1.00 0.00 WT1 H ATOM 18120 H2 TIP3 6039 56.968 34.484 8.080 1.00 0.00 WT1 H ATOM 18121 OH2 TIP3 6042 57.369 4.088 15.478 1.00 0.00 WT1 O ATOM 18122 H1 TIP3 6042 57.117 3.177 15.326 1.00 0.00 WT1 H ATOM 18123 H2 TIP3 6042 57.852 4.069 16.304 1.00 0.00 WT1 H ATOM 18124 OH2 TIP3 6044 83.217 39.153 -3.027 1.00 0.00 WT1 O ATOM 18125 H1 TIP3 6044 83.945 38.598 -3.308 1.00 0.00 WT1 H ATOM 18126 H2 TIP3 6044 82.916 38.758 -2.209 1.00 0.00 WT1 H ATOM 18127 OH2 TIP3 6046 20.585 76.971 22.324 1.00 0.00 WT1 O ATOM 18128 H1 TIP3 6046 19.656 76.741 22.335 1.00 0.00 WT1 H ATOM 18129 H2 TIP3 6046 21.036 76.160 22.560 1.00 0.00 WT1 H ATOM 18130 OH2 TIP3 6048 43.412 29.429 -15.734 1.00 0.00 WT1 O ATOM 18131 H1 TIP3 6048 44.118 30.073 -15.778 1.00 0.00 WT1 H ATOM 18132 H2 TIP3 6048 43.817 28.608 -16.014 1.00 0.00 WT1 H ATOM 18133 OH2 TIP3 6049 51.058 23.905 40.851 1.00 0.00 WT1 O ATOM 18134 H1 TIP3 6049 51.199 23.925 39.904 1.00 0.00 WT1 H ATOM 18135 H2 TIP3 6049 50.533 23.117 40.998 1.00 0.00 WT1 H ATOM 18136 OH2 TIP3 6050 56.344 4.418 22.203 1.00 0.00 WT1 O ATOM 18137 H1 TIP3 6050 57.228 4.772 22.103 1.00 0.00 WT1 H ATOM 18138 H2 TIP3 6050 55.787 5.020 21.709 1.00 0.00 WT1 H ATOM 18139 OH2 TIP3 6051 23.012 37.434 -8.637 1.00 0.00 WT1 O ATOM 18140 H1 TIP3 6051 23.310 36.759 -8.026 1.00 0.00 WT1 H ATOM 18141 H2 TIP3 6051 23.809 37.722 -9.082 1.00 0.00 WT1 H ATOM 18142 OH2 TIP3 6052 38.358 90.199 -2.632 1.00 0.00 WT1 O ATOM 18143 H1 TIP3 6052 37.722 90.912 -2.677 1.00 0.00 WT1 H ATOM 18144 H2 TIP3 6052 39.122 90.585 -2.202 1.00 0.00 WT1 H ATOM 18145 OH2 TIP3 6053 63.848 36.023 -0.495 1.00 0.00 WT1 O ATOM 18146 H1 TIP3 6053 63.817 36.903 -0.872 1.00 0.00 WT1 H ATOM 18147 H2 TIP3 6053 63.081 35.980 0.077 1.00 0.00 WT1 H ATOM 18148 OH2 TIP3 6054 62.503 47.750 -3.456 1.00 0.00 WT1 O ATOM 18149 H1 TIP3 6054 62.746 47.789 -2.531 1.00 0.00 WT1 H ATOM 18150 H2 TIP3 6054 61.547 47.695 -3.450 1.00 0.00 WT1 H ATOM 18151 OH2 TIP3 6058 68.698 5.815 31.052 1.00 0.00 WT1 O ATOM 18152 H1 TIP3 6058 68.251 6.187 30.292 1.00 0.00 WT1 H ATOM 18153 H2 TIP3 6058 69.486 5.409 30.691 1.00 0.00 WT1 H ATOM 18154 OH2 TIP3 6059 21.649 56.594 31.502 1.00 0.00 WT1 O ATOM 18155 H1 TIP3 6059 21.594 57.463 31.105 1.00 0.00 WT1 H ATOM 18156 H2 TIP3 6059 21.001 56.072 31.029 1.00 0.00 WT1 H ATOM 18157 OH2 TIP3 6061 41.819 38.099 36.212 1.00 0.00 WT1 O ATOM 18158 H1 TIP3 6061 40.919 38.116 35.884 1.00 0.00 WT1 H ATOM 18159 H2 TIP3 6061 42.334 38.515 35.521 1.00 0.00 WT1 H ATOM 18160 OH2 TIP3 6068 61.680 63.117 -9.298 1.00 0.00 WT1 O ATOM 18161 H1 TIP3 6068 61.359 63.834 -8.751 1.00 0.00 WT1 H ATOM 18162 H2 TIP3 6068 61.240 62.339 -8.955 1.00 0.00 WT1 H ATOM 18163 OH2 TIP3 6069 64.518 80.711 45.147 1.00 0.00 WT1 O ATOM 18164 H1 TIP3 6069 65.033 79.921 44.984 1.00 0.00 WT1 H ATOM 18165 H2 TIP3 6069 64.301 80.668 46.079 1.00 0.00 WT1 H ATOM 18166 OH2 TIP3 6070 75.292 75.042 56.948 1.00 0.00 WT1 O ATOM 18167 H1 TIP3 6070 75.636 74.208 56.629 1.00 0.00 WT1 H ATOM 18168 H2 TIP3 6070 75.201 74.919 57.893 1.00 0.00 WT1 H ATOM 18169 OH2 TIP3 6071 33.543 5.846 -8.631 1.00 0.00 WT1 O ATOM 18170 H1 TIP3 6071 33.671 6.044 -7.703 1.00 0.00 WT1 H ATOM 18171 H2 TIP3 6071 33.066 5.016 -8.636 1.00 0.00 WT1 H ATOM 18172 OH2 TIP3 6072 63.185 78.934 38.000 1.00 0.00 WT1 O ATOM 18173 H1 TIP3 6072 62.609 78.678 38.720 1.00 0.00 WT1 H ATOM 18174 H2 TIP3 6072 63.031 78.275 37.323 1.00 0.00 WT1 H ATOM 18175 OH2 TIP3 6073 60.839 73.402 5.644 1.00 0.00 WT1 O ATOM 18176 H1 TIP3 6073 60.756 73.858 6.482 1.00 0.00 WT1 H ATOM 18177 H2 TIP3 6073 60.438 72.546 5.796 1.00 0.00 WT1 H ATOM 18178 OH2 TIP3 6074 52.995 23.892 67.018 1.00 0.00 WT1 O ATOM 18179 H1 TIP3 6074 53.232 24.740 67.392 1.00 0.00 WT1 H ATOM 18180 H2 TIP3 6074 52.514 24.108 66.219 1.00 0.00 WT1 H ATOM 18181 OH2 TIP3 6075 43.228 68.408 55.255 1.00 0.00 WT1 O ATOM 18182 H1 TIP3 6075 43.610 68.751 54.448 1.00 0.00 WT1 H ATOM 18183 H2 TIP3 6075 43.610 67.536 55.350 1.00 0.00 WT1 H ATOM 18184 OH2 TIP3 6077 62.669 61.050 -12.702 1.00 0.00 WT1 O ATOM 18185 H1 TIP3 6077 61.725 61.189 -12.775 1.00 0.00 WT1 H ATOM 18186 H2 TIP3 6077 63.013 61.890 -12.401 1.00 0.00 WT1 H ATOM 18187 OH2 TIP3 6079 45.402 15.309 -14.303 1.00 0.00 WT1 O ATOM 18188 H1 TIP3 6079 45.145 15.699 -13.468 1.00 0.00 WT1 H ATOM 18189 H2 TIP3 6079 46.358 15.357 -14.306 1.00 0.00 WT1 H ATOM 18190 OH2 TIP3 6083 55.690 9.116 21.754 1.00 0.00 WT1 O ATOM 18191 H1 TIP3 6083 56.346 9.452 22.364 1.00 0.00 WT1 H ATOM 18192 H2 TIP3 6083 54.872 9.527 22.030 1.00 0.00 WT1 H ATOM 18193 OH2 TIP3 6084 60.313 46.027 13.099 1.00 0.00 WT1 O ATOM 18194 H1 TIP3 6084 59.422 46.019 12.750 1.00 0.00 WT1 H ATOM 18195 H2 TIP3 6084 60.229 46.433 13.962 1.00 0.00 WT1 H ATOM 18196 OH2 TIP3 6087 49.720 73.022 57.976 1.00 0.00 WT1 O ATOM 18197 H1 TIP3 6087 49.018 73.209 58.599 1.00 0.00 WT1 H ATOM 18198 H2 TIP3 6087 49.745 73.790 57.405 1.00 0.00 WT1 H ATOM 18199 OH2 TIP3 6088 41.029 16.869 52.788 1.00 0.00 WT1 O ATOM 18200 H1 TIP3 6088 41.179 16.226 53.481 1.00 0.00 WT1 H ATOM 18201 H2 TIP3 6088 41.753 17.489 52.875 1.00 0.00 WT1 H ATOM 18202 OH2 TIP3 6089 79.567 27.696 60.500 1.00 0.00 WT1 O ATOM 18203 H1 TIP3 6089 79.494 28.381 59.836 1.00 0.00 WT1 H ATOM 18204 H2 TIP3 6089 80.467 27.764 60.818 1.00 0.00 WT1 H ATOM 18205 OH2 TIP3 6090 22.133 22.824 -0.070 1.00 0.00 WT1 O ATOM 18206 H1 TIP3 6090 22.859 22.422 -0.546 1.00 0.00 WT1 H ATOM 18207 H2 TIP3 6090 22.267 22.560 0.840 1.00 0.00 WT1 H ATOM 18208 OH2 TIP3 6091 34.183 44.988 58.454 1.00 0.00 WT1 O ATOM 18209 H1 TIP3 6091 34.567 45.677 57.911 1.00 0.00 WT1 H ATOM 18210 H2 TIP3 6091 33.317 45.322 58.688 1.00 0.00 WT1 H ATOM 18211 OH2 TIP3 6092 68.633 74.766 7.144 1.00 0.00 WT1 O ATOM 18212 H1 TIP3 6092 67.773 75.162 7.285 1.00 0.00 WT1 H ATOM 18213 H2 TIP3 6092 68.889 74.435 8.005 1.00 0.00 WT1 H ATOM 18214 OH2 TIP3 6093 35.193 68.323 60.535 1.00 0.00 WT1 O ATOM 18215 H1 TIP3 6093 34.593 68.152 59.809 1.00 0.00 WT1 H ATOM 18216 H2 TIP3 6093 34.831 67.826 61.269 1.00 0.00 WT1 H ATOM 18217 OH2 TIP3 6095 52.137 19.759 19.055 1.00 0.00 WT1 O ATOM 18218 H1 TIP3 6095 51.522 20.489 18.983 1.00 0.00 WT1 H ATOM 18219 H2 TIP3 6095 51.884 19.162 18.351 1.00 0.00 WT1 H ATOM 18220 OH2 TIP3 6096 47.358 8.436 60.579 1.00 0.00 WT1 O ATOM 18221 H1 TIP3 6096 47.058 7.539 60.428 1.00 0.00 WT1 H ATOM 18222 H2 TIP3 6096 48.196 8.335 61.032 1.00 0.00 WT1 H ATOM 18223 OH2 TIP3 6097 70.166 28.220 18.620 1.00 0.00 WT1 O ATOM 18224 H1 TIP3 6097 70.107 27.876 19.511 1.00 0.00 WT1 H ATOM 18225 H2 TIP3 6097 70.036 29.163 18.718 1.00 0.00 WT1 H ATOM 18226 OH2 TIP3 6098 39.187 54.417 61.130 1.00 0.00 WT1 O ATOM 18227 H1 TIP3 6098 39.531 54.125 61.975 1.00 0.00 WT1 H ATOM 18228 H2 TIP3 6098 38.732 55.236 61.326 1.00 0.00 WT1 H ATOM 18229 OH2 TIP3 6099 59.794 71.865 46.891 1.00 0.00 WT1 O ATOM 18230 H1 TIP3 6099 60.172 72.369 46.170 1.00 0.00 WT1 H ATOM 18231 H2 TIP3 6099 60.500 71.800 47.534 1.00 0.00 WT1 H ATOM 18232 OH2 TIP3 6101 83.328 40.051 5.699 1.00 0.00 WT1 O ATOM 18233 H1 TIP3 6101 83.454 40.316 6.611 1.00 0.00 WT1 H ATOM 18234 H2 TIP3 6101 84.214 39.895 5.371 1.00 0.00 WT1 H ATOM 18235 OH2 TIP3 6102 79.509 27.074 63.498 1.00 0.00 WT1 O ATOM 18236 H1 TIP3 6102 79.889 27.929 63.698 1.00 0.00 WT1 H ATOM 18237 H2 TIP3 6102 79.552 26.593 64.324 1.00 0.00 WT1 H ATOM 18238 OH2 TIP3 6105 73.596 74.344 18.815 1.00 0.00 WT1 O ATOM 18239 H1 TIP3 6105 72.899 74.921 18.500 1.00 0.00 WT1 H ATOM 18240 H2 TIP3 6105 73.154 73.735 19.406 1.00 0.00 WT1 H ATOM 18241 OH2 TIP3 6106 86.933 18.473 54.064 1.00 0.00 WT1 O ATOM 18242 H1 TIP3 6106 86.588 19.262 54.482 1.00 0.00 WT1 H ATOM 18243 H2 TIP3 6106 87.755 18.754 53.662 1.00 0.00 WT1 H ATOM 18244 OH2 TIP3 6108 85.884 22.581 43.042 1.00 0.00 WT1 O ATOM 18245 H1 TIP3 6108 86.430 23.185 42.538 1.00 0.00 WT1 H ATOM 18246 H2 TIP3 6108 84.986 22.850 42.848 1.00 0.00 WT1 H ATOM 18247 OH2 TIP3 6110 82.315 24.120 66.210 1.00 0.00 WT1 O ATOM 18248 H1 TIP3 6110 82.588 24.087 67.126 1.00 0.00 WT1 H ATOM 18249 H2 TIP3 6110 82.945 24.708 65.793 1.00 0.00 WT1 H ATOM 18250 OH2 TIP3 6111 73.441 55.653 46.673 1.00 0.00 WT1 O ATOM 18251 H1 TIP3 6111 73.296 55.861 47.596 1.00 0.00 WT1 H ATOM 18252 H2 TIP3 6111 72.975 56.339 46.196 1.00 0.00 WT1 H ATOM 18253 OH2 TIP3 6112 22.923 85.739 -6.913 1.00 0.00 WT1 O ATOM 18254 H1 TIP3 6112 23.250 85.928 -7.793 1.00 0.00 WT1 H ATOM 18255 H2 TIP3 6112 22.601 86.581 -6.591 1.00 0.00 WT1 H ATOM 18256 OH2 TIP3 6113 42.016 57.855 18.505 1.00 0.00 WT1 O ATOM 18257 H1 TIP3 6113 41.654 58.573 17.986 1.00 0.00 WT1 H ATOM 18258 H2 TIP3 6113 42.818 58.213 18.884 1.00 0.00 WT1 H ATOM 18259 OH2 TIP3 6116 67.113 35.522 -15.316 1.00 0.00 WT1 O ATOM 18260 H1 TIP3 6116 66.355 34.938 -15.287 1.00 0.00 WT1 H ATOM 18261 H2 TIP3 6116 67.727 35.150 -14.683 1.00 0.00 WT1 H ATOM 18262 OH2 TIP3 6117 53.723 59.803 -11.171 1.00 0.00 WT1 O ATOM 18263 H1 TIP3 6117 54.539 60.085 -11.585 1.00 0.00 WT1 H ATOM 18264 H2 TIP3 6117 53.797 60.103 -10.265 1.00 0.00 WT1 H ATOM 18265 OH2 TIP3 6120 85.096 80.527 45.530 1.00 0.00 WT1 O ATOM 18266 H1 TIP3 6120 85.201 79.790 44.929 1.00 0.00 WT1 H ATOM 18267 H2 TIP3 6120 84.293 80.960 45.241 1.00 0.00 WT1 H ATOM 18268 OH2 TIP3 6122 62.839 61.519 39.211 1.00 0.00 WT1 O ATOM 18269 H1 TIP3 6122 62.160 61.437 38.540 1.00 0.00 WT1 H ATOM 18270 H2 TIP3 6122 62.670 60.794 39.812 1.00 0.00 WT1 H ATOM 18271 OH2 TIP3 6125 37.478 7.291 43.909 1.00 0.00 WT1 O ATOM 18272 H1 TIP3 6125 36.707 6.826 44.233 1.00 0.00 WT1 H ATOM 18273 H2 TIP3 6125 37.257 7.523 43.007 1.00 0.00 WT1 H ATOM 18274 OH2 TIP3 6126 46.084 90.809 15.960 1.00 0.00 WT1 O ATOM 18275 H1 TIP3 6126 45.184 90.911 16.270 1.00 0.00 WT1 H ATOM 18276 H2 TIP3 6126 46.040 90.088 15.331 1.00 0.00 WT1 H ATOM 18277 OH2 TIP3 6127 23.405 39.778 23.427 1.00 0.00 WT1 O ATOM 18278 H1 TIP3 6127 24.162 39.648 23.998 1.00 0.00 WT1 H ATOM 18279 H2 TIP3 6127 22.892 40.461 23.859 1.00 0.00 WT1 H ATOM 18280 OH2 TIP3 6130 44.149 53.153 27.402 1.00 0.00 WT1 O ATOM 18281 H1 TIP3 6130 44.178 52.300 26.968 1.00 0.00 WT1 H ATOM 18282 H2 TIP3 6130 44.878 53.642 27.020 1.00 0.00 WT1 H ATOM 18283 OH2 TIP3 6131 31.984 10.866 45.517 1.00 0.00 WT1 O ATOM 18284 H1 TIP3 6131 32.443 11.569 45.977 1.00 0.00 WT1 H ATOM 18285 H2 TIP3 6131 31.645 11.280 44.723 1.00 0.00 WT1 H ATOM 18286 OH2 TIP3 6132 40.218 51.244 35.245 1.00 0.00 WT1 O ATOM 18287 H1 TIP3 6132 40.812 51.832 35.710 1.00 0.00 WT1 H ATOM 18288 H2 TIP3 6132 40.543 51.237 34.344 1.00 0.00 WT1 H ATOM 18289 OH2 TIP3 6133 41.519 28.501 -8.012 1.00 0.00 WT1 O ATOM 18290 H1 TIP3 6133 41.926 28.975 -8.738 1.00 0.00 WT1 H ATOM 18291 H2 TIP3 6133 40.784 28.035 -8.412 1.00 0.00 WT1 H ATOM 18292 OH2 TIP3 6134 48.141 62.389 -13.520 1.00 0.00 WT1 O ATOM 18293 H1 TIP3 6134 48.043 62.505 -14.465 1.00 0.00 WT1 H ATOM 18294 H2 TIP3 6134 47.632 63.103 -13.136 1.00 0.00 WT1 H ATOM 18295 OH2 TIP3 6135 83.800 32.528 6.058 1.00 0.00 WT1 O ATOM 18296 H1 TIP3 6135 84.033 33.314 5.564 1.00 0.00 WT1 H ATOM 18297 H2 TIP3 6135 83.215 32.842 6.747 1.00 0.00 WT1 H ATOM 18298 OH2 TIP3 6136 55.685 14.160 21.376 1.00 0.00 WT1 O ATOM 18299 H1 TIP3 6136 55.005 13.486 21.366 1.00 0.00 WT1 H ATOM 18300 H2 TIP3 6136 55.959 14.239 20.462 1.00 0.00 WT1 H ATOM 18301 OH2 TIP3 6137 65.742 93.267 8.809 1.00 0.00 WT1 O ATOM 18302 H1 TIP3 6137 66.067 92.453 9.194 1.00 0.00 WT1 H ATOM 18303 H2 TIP3 6137 64.790 93.211 8.896 1.00 0.00 WT1 H ATOM 18304 OH2 TIP3 6138 41.827 22.369 -17.368 1.00 0.00 WT1 O ATOM 18305 H1 TIP3 6138 41.579 23.131 -17.892 1.00 0.00 WT1 H ATOM 18306 H2 TIP3 6138 41.967 21.672 -18.009 1.00 0.00 WT1 H ATOM 18307 OH2 TIP3 6139 90.596 90.018 -10.877 1.00 0.00 WT1 O ATOM 18308 H1 TIP3 6139 90.192 90.797 -10.494 1.00 0.00 WT1 H ATOM 18309 H2 TIP3 6139 89.890 89.373 -10.909 1.00 0.00 WT1 H ATOM 18310 OH2 TIP3 6141 68.479 57.824 -10.755 1.00 0.00 WT1 O ATOM 18311 H1 TIP3 6141 68.072 58.690 -10.724 1.00 0.00 WT1 H ATOM 18312 H2 TIP3 6141 69.162 57.856 -10.085 1.00 0.00 WT1 H ATOM 18313 OH2 TIP3 6144 71.870 5.477 -17.264 1.00 0.00 WT1 O ATOM 18314 H1 TIP3 6144 71.672 5.166 -18.147 1.00 0.00 WT1 H ATOM 18315 H2 TIP3 6144 72.201 6.366 -17.391 1.00 0.00 WT1 H ATOM 18316 OH2 TIP3 6146 39.842 78.261 66.804 1.00 0.00 WT1 O ATOM 18317 H1 TIP3 6146 40.752 78.544 66.719 1.00 0.00 WT1 H ATOM 18318 H2 TIP3 6146 39.509 78.254 65.906 1.00 0.00 WT1 H ATOM 18319 OH2 TIP3 6147 75.405 39.712 9.554 1.00 0.00 WT1 O ATOM 18320 H1 TIP3 6147 74.554 39.425 9.885 1.00 0.00 WT1 H ATOM 18321 H2 TIP3 6147 75.550 40.562 9.968 1.00 0.00 WT1 H ATOM 18322 OH2 TIP3 6148 83.987 42.142 65.163 1.00 0.00 WT1 O ATOM 18323 H1 TIP3 6148 84.911 42.196 65.408 1.00 0.00 WT1 H ATOM 18324 H2 TIP3 6148 83.801 42.983 64.745 1.00 0.00 WT1 H ATOM 18325 OH2 TIP3 6150 43.620 50.212 34.249 1.00 0.00 WT1 O ATOM 18326 H1 TIP3 6150 44.062 50.911 33.767 1.00 0.00 WT1 H ATOM 18327 H2 TIP3 6150 44.142 49.430 34.070 1.00 0.00 WT1 H ATOM 18328 OH2 TIP3 6151 89.915 43.417 23.516 1.00 0.00 WT1 O ATOM 18329 H1 TIP3 6151 89.006 43.564 23.775 1.00 0.00 WT1 H ATOM 18330 H2 TIP3 6151 90.058 44.021 22.787 1.00 0.00 WT1 H ATOM 18331 OH2 TIP3 6152 52.995 81.822 38.134 1.00 0.00 WT1 O ATOM 18332 H1 TIP3 6152 52.195 81.459 38.514 1.00 0.00 WT1 H ATOM 18333 H2 TIP3 6152 52.869 82.770 38.167 1.00 0.00 WT1 H ATOM 18334 OH2 TIP3 6153 35.190 64.439 3.233 1.00 0.00 WT1 O ATOM 18335 H1 TIP3 6153 35.526 63.600 3.548 1.00 0.00 WT1 H ATOM 18336 H2 TIP3 6153 34.881 64.885 4.022 1.00 0.00 WT1 H ATOM 18337 OH2 TIP3 6154 64.351 63.552 21.928 1.00 0.00 WT1 O ATOM 18338 H1 TIP3 6154 63.669 64.012 22.418 1.00 0.00 WT1 H ATOM 18339 H2 TIP3 6154 63.969 62.697 21.730 1.00 0.00 WT1 H ATOM 18340 OH2 TIP3 6155 22.104 43.219 36.609 1.00 0.00 WT1 O ATOM 18341 H1 TIP3 6155 22.246 43.641 37.457 1.00 0.00 WT1 H ATOM 18342 H2 TIP3 6155 21.667 42.394 36.821 1.00 0.00 WT1 H ATOM 18343 OH2 TIP3 6156 68.637 73.424 40.693 1.00 0.00 WT1 O ATOM 18344 H1 TIP3 6156 68.438 72.592 40.264 1.00 0.00 WT1 H ATOM 18345 H2 TIP3 6156 67.786 73.753 40.985 1.00 0.00 WT1 H ATOM 18346 OH2 TIP3 6157 24.267 30.673 41.276 1.00 0.00 WT1 O ATOM 18347 H1 TIP3 6157 24.959 30.590 40.620 1.00 0.00 WT1 H ATOM 18348 H2 TIP3 6157 24.617 30.232 42.050 1.00 0.00 WT1 H ATOM 18349 OH2 TIP3 6158 76.212 86.242 62.273 1.00 0.00 WT1 O ATOM 18350 H1 TIP3 6158 76.387 87.182 62.312 1.00 0.00 WT1 H ATOM 18351 H2 TIP3 6158 76.247 86.029 61.340 1.00 0.00 WT1 H ATOM 18352 OH2 TIP3 6159 22.267 78.180 54.063 1.00 0.00 WT1 O ATOM 18353 H1 TIP3 6159 22.800 78.841 53.621 1.00 0.00 WT1 H ATOM 18354 H2 TIP3 6159 22.873 77.747 54.664 1.00 0.00 WT1 H ATOM 18355 OH2 TIP3 6160 81.130 36.116 -0.591 1.00 0.00 WT1 O ATOM 18356 H1 TIP3 6160 80.340 36.641 -0.461 1.00 0.00 WT1 H ATOM 18357 H2 TIP3 6160 81.477 35.981 0.291 1.00 0.00 WT1 H ATOM 18358 OH2 TIP3 6162 64.613 18.566 -5.272 1.00 0.00 WT1 O ATOM 18359 H1 TIP3 6162 65.236 19.102 -4.781 1.00 0.00 WT1 H ATOM 18360 H2 TIP3 6162 64.853 18.698 -6.189 1.00 0.00 WT1 H ATOM 18361 OH2 TIP3 6163 55.022 14.414 49.353 1.00 0.00 WT1 O ATOM 18362 H1 TIP3 6163 54.858 14.669 48.445 1.00 0.00 WT1 H ATOM 18363 H2 TIP3 6163 54.357 13.751 49.540 1.00 0.00 WT1 H ATOM 18364 OH2 TIP3 6164 59.819 74.057 29.345 1.00 0.00 WT1 O ATOM 18365 H1 TIP3 6164 59.127 73.679 29.888 1.00 0.00 WT1 H ATOM 18366 H2 TIP3 6164 59.778 73.564 28.526 1.00 0.00 WT1 H ATOM 18367 OH2 TIP3 6166 45.630 53.467 58.261 1.00 0.00 WT1 O ATOM 18368 H1 TIP3 6166 46.022 54.328 58.113 1.00 0.00 WT1 H ATOM 18369 H2 TIP3 6166 45.619 53.369 59.213 1.00 0.00 WT1 H ATOM 18370 OH2 TIP3 6167 76.153 53.877 21.766 1.00 0.00 WT1 O ATOM 18371 H1 TIP3 6167 76.247 53.291 21.015 1.00 0.00 WT1 H ATOM 18372 H2 TIP3 6167 75.459 54.484 21.511 1.00 0.00 WT1 H ATOM 18373 OH2 TIP3 6171 27.666 46.091 25.749 1.00 0.00 WT1 O ATOM 18374 H1 TIP3 6171 27.342 46.492 24.943 1.00 0.00 WT1 H ATOM 18375 H2 TIP3 6171 26.899 45.663 26.129 1.00 0.00 WT1 H ATOM 18376 OH2 TIP3 6172 31.708 54.303 54.982 1.00 0.00 WT1 O ATOM 18377 H1 TIP3 6172 32.385 54.912 54.689 1.00 0.00 WT1 H ATOM 18378 H2 TIP3 6172 31.941 53.470 54.572 1.00 0.00 WT1 H ATOM 18379 OH2 TIP3 6175 38.374 30.513 14.764 1.00 0.00 WT1 O ATOM 18380 H1 TIP3 6175 38.937 30.051 15.385 1.00 0.00 WT1 H ATOM 18381 H2 TIP3 6175 37.567 30.000 14.744 1.00 0.00 WT1 H ATOM 18382 OH2 TIP3 6176 53.594 16.464 -2.573 1.00 0.00 WT1 O ATOM 18383 H1 TIP3 6176 53.317 16.761 -3.440 1.00 0.00 WT1 H ATOM 18384 H2 TIP3 6176 53.735 17.270 -2.076 1.00 0.00 WT1 H ATOM 18385 OH2 TIP3 6177 36.293 11.291 40.894 1.00 0.00 WT1 O ATOM 18386 H1 TIP3 6177 37.182 11.480 40.593 1.00 0.00 WT1 H ATOM 18387 H2 TIP3 6177 36.402 10.998 41.798 1.00 0.00 WT1 H ATOM 18388 OH2 TIP3 6178 68.052 81.814 -18.457 1.00 0.00 WT1 O ATOM 18389 H1 TIP3 6178 68.366 81.378 -19.249 1.00 0.00 WT1 H ATOM 18390 H2 TIP3 6178 68.530 81.391 -17.744 1.00 0.00 WT1 H ATOM 18391 OH2 TIP3 6180 87.804 45.541 1.264 1.00 0.00 WT1 O ATOM 18392 H1 TIP3 6180 87.466 46.230 1.835 1.00 0.00 WT1 H ATOM 18393 H2 TIP3 6180 87.093 44.903 1.210 1.00 0.00 WT1 H ATOM 18394 OH2 TIP3 6181 60.530 89.062 -12.781 1.00 0.00 WT1 O ATOM 18395 H1 TIP3 6181 60.492 89.398 -13.676 1.00 0.00 WT1 H ATOM 18396 H2 TIP3 6181 60.046 89.705 -12.263 1.00 0.00 WT1 H ATOM 18397 OH2 TIP3 6182 33.762 58.967 11.489 1.00 0.00 WT1 O ATOM 18398 H1 TIP3 6182 34.287 59.670 11.871 1.00 0.00 WT1 H ATOM 18399 H2 TIP3 6182 33.531 58.409 12.232 1.00 0.00 WT1 H ATOM 18400 OH2 TIP3 6183 23.654 9.756 50.175 1.00 0.00 WT1 O ATOM 18401 H1 TIP3 6183 24.303 9.188 49.759 1.00 0.00 WT1 H ATOM 18402 H2 TIP3 6183 23.029 9.957 49.478 1.00 0.00 WT1 H ATOM 18403 OH2 TIP3 6184 84.243 2.404 47.481 1.00 0.00 WT1 O ATOM 18404 H1 TIP3 6184 83.964 1.864 46.742 1.00 0.00 WT1 H ATOM 18405 H2 TIP3 6184 84.192 1.821 48.238 1.00 0.00 WT1 H ATOM 18406 OH2 TIP3 6186 47.480 44.376 0.152 1.00 0.00 WT1 O ATOM 18407 H1 TIP3 6186 46.829 43.997 -0.439 1.00 0.00 WT1 H ATOM 18408 H2 TIP3 6186 48.291 44.379 -0.356 1.00 0.00 WT1 H ATOM 18409 OH2 TIP3 6187 38.993 88.514 18.068 1.00 0.00 WT1 O ATOM 18410 H1 TIP3 6187 38.932 89.453 18.247 1.00 0.00 WT1 H ATOM 18411 H2 TIP3 6187 39.769 88.228 18.548 1.00 0.00 WT1 H ATOM 18412 OH2 TIP3 6188 59.345 10.923 33.667 1.00 0.00 WT1 O ATOM 18413 H1 TIP3 6188 58.532 11.379 33.446 1.00 0.00 WT1 H ATOM 18414 H2 TIP3 6188 59.569 10.435 32.874 1.00 0.00 WT1 H ATOM 18415 OH2 TIP3 6189 31.311 80.882 0.204 1.00 0.00 WT1 O ATOM 18416 H1 TIP3 6189 30.604 80.519 -0.329 1.00 0.00 WT1 H ATOM 18417 H2 TIP3 6189 32.110 80.519 -0.177 1.00 0.00 WT1 H ATOM 18418 OH2 TIP3 6191 72.373 41.987 53.038 1.00 0.00 WT1 O ATOM 18419 H1 TIP3 6191 72.249 42.912 53.251 1.00 0.00 WT1 H ATOM 18420 H2 TIP3 6191 73.304 41.828 53.195 1.00 0.00 WT1 H ATOM 18421 OH2 TIP3 6192 79.784 17.835 3.474 1.00 0.00 WT1 O ATOM 18422 H1 TIP3 6192 78.831 17.890 3.391 1.00 0.00 WT1 H ATOM 18423 H2 TIP3 6192 79.973 18.237 4.322 1.00 0.00 WT1 H ATOM 18424 OH2 TIP3 6193 24.214 77.643 7.192 1.00 0.00 WT1 O ATOM 18425 H1 TIP3 6193 24.350 77.207 8.033 1.00 0.00 WT1 H ATOM 18426 H2 TIP3 6193 24.788 77.176 6.584 1.00 0.00 WT1 H ATOM 18427 OH2 TIP3 6194 80.455 52.719 -16.786 1.00 0.00 WT1 O ATOM 18428 H1 TIP3 6194 79.512 52.748 -16.626 1.00 0.00 WT1 H ATOM 18429 H2 TIP3 6194 80.775 52.022 -16.214 1.00 0.00 WT1 H ATOM 18430 OH2 TIP3 6195 21.807 78.522 -9.391 1.00 0.00 WT1 O ATOM 18431 H1 TIP3 6195 21.649 77.595 -9.210 1.00 0.00 WT1 H ATOM 18432 H2 TIP3 6195 22.485 78.523 -10.066 1.00 0.00 WT1 H ATOM 18433 OH2 TIP3 6196 44.005 23.866 56.803 1.00 0.00 WT1 O ATOM 18434 H1 TIP3 6196 43.718 24.298 57.607 1.00 0.00 WT1 H ATOM 18435 H2 TIP3 6196 43.285 23.278 56.575 1.00 0.00 WT1 H ATOM 18436 OH2 TIP3 6197 73.340 57.044 -18.332 1.00 0.00 WT1 O ATOM 18437 H1 TIP3 6197 73.732 57.866 -18.037 1.00 0.00 WT1 H ATOM 18438 H2 TIP3 6197 72.859 57.279 -19.125 1.00 0.00 WT1 H ATOM 18439 OH2 TIP3 6198 89.152 0.879 9.610 1.00 0.00 WT1 O ATOM 18440 H1 TIP3 6198 88.981 0.662 8.694 1.00 0.00 WT1 H ATOM 18441 H2 TIP3 6198 88.467 0.421 10.097 1.00 0.00 WT1 H ATOM 18442 OH2 TIP3 6199 50.087 54.884 -3.933 1.00 0.00 WT1 O ATOM 18443 H1 TIP3 6199 50.898 55.141 -3.494 1.00 0.00 WT1 H ATOM 18444 H2 TIP3 6199 50.047 55.444 -4.709 1.00 0.00 WT1 H ATOM 18445 OH2 TIP3 6200 86.133 59.212 57.275 1.00 0.00 WT1 O ATOM 18446 H1 TIP3 6200 86.268 58.278 57.111 1.00 0.00 WT1 H ATOM 18447 H2 TIP3 6200 86.605 59.383 58.090 1.00 0.00 WT1 H ATOM 18448 OH2 TIP3 6201 53.043 8.040 -18.418 1.00 0.00 WT1 O ATOM 18449 H1 TIP3 6201 52.525 7.379 -18.878 1.00 0.00 WT1 H ATOM 18450 H2 TIP3 6201 52.830 7.911 -17.494 1.00 0.00 WT1 H ATOM 18451 OH2 TIP3 6202 54.618 31.989 47.417 1.00 0.00 WT1 O ATOM 18452 H1 TIP3 6202 54.876 32.246 46.532 1.00 0.00 WT1 H ATOM 18453 H2 TIP3 6202 53.914 31.353 47.287 1.00 0.00 WT1 H ATOM 18454 OH2 TIP3 6203 51.854 20.768 -5.065 1.00 0.00 WT1 O ATOM 18455 H1 TIP3 6203 50.946 20.840 -4.772 1.00 0.00 WT1 H ATOM 18456 H2 TIP3 6203 52.243 21.617 -4.853 1.00 0.00 WT1 H ATOM 18457 OH2 TIP3 6204 50.638 14.504 27.529 1.00 0.00 WT1 O ATOM 18458 H1 TIP3 6204 51.221 14.571 26.773 1.00 0.00 WT1 H ATOM 18459 H2 TIP3 6204 49.762 14.645 27.170 1.00 0.00 WT1 H ATOM 18460 OH2 TIP3 6205 55.577 94.953 -8.315 1.00 0.00 WT1 O ATOM 18461 H1 TIP3 6205 54.992 94.490 -8.915 1.00 0.00 WT1 H ATOM 18462 H2 TIP3 6205 56.293 94.338 -8.156 1.00 0.00 WT1 H ATOM 18463 OH2 TIP3 6207 82.123 93.747 -11.565 1.00 0.00 WT1 O ATOM 18464 H1 TIP3 6207 82.461 94.366 -12.211 1.00 0.00 WT1 H ATOM 18465 H2 TIP3 6207 82.403 94.103 -10.722 1.00 0.00 WT1 H ATOM 18466 OH2 TIP3 6208 28.553 38.697 22.782 1.00 0.00 WT1 O ATOM 18467 H1 TIP3 6208 29.394 38.573 23.222 1.00 0.00 WT1 H ATOM 18468 H2 TIP3 6208 28.572 39.605 22.479 1.00 0.00 WT1 H ATOM 18469 OH2 TIP3 6209 53.004 54.776 20.366 1.00 0.00 WT1 O ATOM 18470 H1 TIP3 6209 53.612 55.032 21.060 1.00 0.00 WT1 H ATOM 18471 H2 TIP3 6209 52.563 55.589 20.121 1.00 0.00 WT1 H ATOM 18472 OH2 TIP3 6210 88.530 46.689 14.812 1.00 0.00 WT1 O ATOM 18473 H1 TIP3 6210 88.897 45.807 14.873 1.00 0.00 WT1 H ATOM 18474 H2 TIP3 6210 89.206 47.200 14.366 1.00 0.00 WT1 H ATOM 18475 OH2 TIP3 6211 35.215 62.516 9.811 1.00 0.00 WT1 O ATOM 18476 H1 TIP3 6211 36.089 62.150 9.944 1.00 0.00 WT1 H ATOM 18477 H2 TIP3 6211 35.248 63.376 10.230 1.00 0.00 WT1 H ATOM 18478 OH2 TIP3 6212 89.516 37.455 25.633 1.00 0.00 WT1 O ATOM 18479 H1 TIP3 6212 89.450 38.004 24.851 1.00 0.00 WT1 H ATOM 18480 H2 TIP3 6212 89.050 37.945 26.310 1.00 0.00 WT1 H ATOM 18481 OH2 TIP3 6213 38.232 77.086 50.686 1.00 0.00 WT1 O ATOM 18482 H1 TIP3 6213 38.158 77.009 49.735 1.00 0.00 WT1 H ATOM 18483 H2 TIP3 6213 37.903 77.963 50.883 1.00 0.00 WT1 H ATOM 18484 OH2 TIP3 6214 53.483 38.376 63.319 1.00 0.00 WT1 O ATOM 18485 H1 TIP3 6214 53.234 37.461 63.448 1.00 0.00 WT1 H ATOM 18486 H2 TIP3 6214 52.654 38.854 63.330 1.00 0.00 WT1 H ATOM 18487 OH2 TIP3 6215 76.287 71.780 16.350 1.00 0.00 WT1 O ATOM 18488 H1 TIP3 6215 75.896 72.531 15.905 1.00 0.00 WT1 H ATOM 18489 H2 TIP3 6215 76.793 71.334 15.671 1.00 0.00 WT1 H ATOM 18490 OH2 TIP3 6216 85.514 80.405 39.272 1.00 0.00 WT1 O ATOM 18491 H1 TIP3 6216 84.892 79.772 38.913 1.00 0.00 WT1 H ATOM 18492 H2 TIP3 6216 84.966 81.074 39.681 1.00 0.00 WT1 H ATOM 18493 OH2 TIP3 6217 61.291 9.005 47.997 1.00 0.00 WT1 O ATOM 18494 H1 TIP3 6217 61.846 8.284 48.295 1.00 0.00 WT1 H ATOM 18495 H2 TIP3 6217 60.408 8.636 47.980 1.00 0.00 WT1 H ATOM 18496 OH2 TIP3 6218 32.510 81.700 -10.691 1.00 0.00 WT1 O ATOM 18497 H1 TIP3 6218 32.299 82.078 -11.544 1.00 0.00 WT1 H ATOM 18498 H2 TIP3 6218 31.883 82.101 -10.089 1.00 0.00 WT1 H ATOM 18499 OH2 TIP3 6219 38.815 52.849 47.949 1.00 0.00 WT1 O ATOM 18500 H1 TIP3 6219 39.085 53.648 48.401 1.00 0.00 WT1 H ATOM 18501 H2 TIP3 6219 39.350 52.830 47.155 1.00 0.00 WT1 H ATOM 18502 OH2 TIP3 6220 88.311 80.068 2.477 1.00 0.00 WT1 O ATOM 18503 H1 TIP3 6220 87.909 80.544 3.203 1.00 0.00 WT1 H ATOM 18504 H2 TIP3 6220 89.111 79.696 2.848 1.00 0.00 WT1 H ATOM 18505 OH2 TIP3 6221 83.677 55.521 13.009 1.00 0.00 WT1 O ATOM 18506 H1 TIP3 6221 84.508 55.948 12.799 1.00 0.00 WT1 H ATOM 18507 H2 TIP3 6221 83.207 56.161 13.543 1.00 0.00 WT1 H ATOM 18508 OH2 TIP3 6223 78.417 88.228 9.853 1.00 0.00 WT1 O ATOM 18509 H1 TIP3 6223 78.343 88.568 8.961 1.00 0.00 WT1 H ATOM 18510 H2 TIP3 6223 79.355 88.085 9.978 1.00 0.00 WT1 H ATOM 18511 OH2 TIP3 6224 60.106 92.297 65.359 1.00 0.00 WT1 O ATOM 18512 H1 TIP3 6224 59.870 92.139 64.445 1.00 0.00 WT1 H ATOM 18513 H2 TIP3 6224 61.063 92.273 65.367 1.00 0.00 WT1 H ATOM 18514 OH2 TIP3 6225 66.464 22.124 22.059 1.00 0.00 WT1 O ATOM 18515 H1 TIP3 6225 67.236 22.689 22.075 1.00 0.00 WT1 H ATOM 18516 H2 TIP3 6225 65.981 22.355 22.852 1.00 0.00 WT1 H ATOM 18517 OH2 TIP3 6227 87.527 23.681 66.695 1.00 0.00 WT1 O ATOM 18518 H1 TIP3 6227 87.968 24.522 66.814 1.00 0.00 WT1 H ATOM 18519 H2 TIP3 6227 87.069 23.531 67.522 1.00 0.00 WT1 H ATOM 18520 OH2 TIP3 6228 40.620 12.182 28.026 1.00 0.00 WT1 O ATOM 18521 H1 TIP3 6228 40.306 12.028 27.135 1.00 0.00 WT1 H ATOM 18522 H2 TIP3 6228 41.548 12.390 27.922 1.00 0.00 WT1 H ATOM 18523 OH2 TIP3 6229 76.432 86.311 17.714 1.00 0.00 WT1 O ATOM 18524 H1 TIP3 6229 76.340 86.647 18.605 1.00 0.00 WT1 H ATOM 18525 H2 TIP3 6229 77.242 86.705 17.391 1.00 0.00 WT1 H ATOM 18526 OH2 TIP3 6230 68.562 55.467 30.037 1.00 0.00 WT1 O ATOM 18527 H1 TIP3 6230 68.606 54.515 30.132 1.00 0.00 WT1 H ATOM 18528 H2 TIP3 6230 67.625 55.661 30.006 1.00 0.00 WT1 H ATOM 18529 OH2 TIP3 6231 48.464 19.534 56.616 1.00 0.00 WT1 O ATOM 18530 H1 TIP3 6231 47.864 19.153 55.974 1.00 0.00 WT1 H ATOM 18531 H2 TIP3 6231 48.438 20.474 56.439 1.00 0.00 WT1 H ATOM 18532 OH2 TIP3 6232 51.660 43.906 62.698 1.00 0.00 WT1 O ATOM 18533 H1 TIP3 6232 52.318 44.329 63.250 1.00 0.00 WT1 H ATOM 18534 H2 TIP3 6232 51.451 44.560 62.031 1.00 0.00 WT1 H ATOM 18535 OH2 TIP3 6233 48.497 14.154 19.518 1.00 0.00 WT1 O ATOM 18536 H1 TIP3 6233 48.090 15.021 19.508 1.00 0.00 WT1 H ATOM 18537 H2 TIP3 6233 49.297 14.270 20.029 1.00 0.00 WT1 H ATOM 18538 OH2 TIP3 6234 45.014 50.918 45.143 1.00 0.00 WT1 O ATOM 18539 H1 TIP3 6234 45.867 50.665 44.788 1.00 0.00 WT1 H ATOM 18540 H2 TIP3 6234 44.597 51.411 44.437 1.00 0.00 WT1 H ATOM 18541 OH2 TIP3 6235 86.144 38.283 -6.840 1.00 0.00 WT1 O ATOM 18542 H1 TIP3 6235 86.883 38.853 -6.626 1.00 0.00 WT1 H ATOM 18543 H2 TIP3 6235 85.643 38.774 -7.491 1.00 0.00 WT1 H ATOM 18544 OH2 TIP3 6236 50.437 10.793 27.195 1.00 0.00 WT1 O ATOM 18545 H1 TIP3 6236 49.676 10.871 26.620 1.00 0.00 WT1 H ATOM 18546 H2 TIP3 6236 51.178 11.060 26.652 1.00 0.00 WT1 H ATOM 18547 OH2 TIP3 6237 54.933 12.666 46.794 1.00 0.00 WT1 O ATOM 18548 H1 TIP3 6237 54.695 11.848 47.230 1.00 0.00 WT1 H ATOM 18549 H2 TIP3 6237 55.890 12.676 46.806 1.00 0.00 WT1 H ATOM 18550 OH2 TIP3 6238 55.384 11.445 1.010 1.00 0.00 WT1 O ATOM 18551 H1 TIP3 6238 55.263 11.419 1.959 1.00 0.00 WT1 H ATOM 18552 H2 TIP3 6238 55.024 10.615 0.699 1.00 0.00 WT1 H ATOM 18553 OH2 TIP3 6239 61.105 32.344 -5.916 1.00 0.00 WT1 O ATOM 18554 H1 TIP3 6239 61.064 33.262 -6.183 1.00 0.00 WT1 H ATOM 18555 H2 TIP3 6239 60.206 32.027 -6.003 1.00 0.00 WT1 H ATOM 18556 OH2 TIP3 6240 88.060 79.694 39.372 1.00 0.00 WT1 O ATOM 18557 H1 TIP3 6240 88.070 79.614 38.418 1.00 0.00 WT1 H ATOM 18558 H2 TIP3 6240 87.155 79.927 39.582 1.00 0.00 WT1 H ATOM 18559 OH2 TIP3 6241 39.019 2.855 27.059 1.00 0.00 WT1 O ATOM 18560 H1 TIP3 6241 39.728 3.280 27.543 1.00 0.00 WT1 H ATOM 18561 H2 TIP3 6241 39.435 2.103 26.637 1.00 0.00 WT1 H ATOM 18562 OH2 TIP3 6242 84.175 23.574 6.409 1.00 0.00 WT1 O ATOM 18563 H1 TIP3 6242 84.978 23.099 6.198 1.00 0.00 WT1 H ATOM 18564 H2 TIP3 6242 84.226 23.724 7.353 1.00 0.00 WT1 H ATOM 18565 OH2 TIP3 6243 27.573 2.046 -8.601 1.00 0.00 WT1 O ATOM 18566 H1 TIP3 6243 28.005 2.361 -7.807 1.00 0.00 WT1 H ATOM 18567 H2 TIP3 6243 26.757 1.654 -8.291 1.00 0.00 WT1 H ATOM 18568 OH2 TIP3 6245 78.441 35.379 47.731 1.00 0.00 WT1 O ATOM 18569 H1 TIP3 6245 78.506 34.994 46.856 1.00 0.00 WT1 H ATOM 18570 H2 TIP3 6245 78.755 36.276 47.622 1.00 0.00 WT1 H ATOM 18571 OH2 TIP3 6246 34.051 11.282 -16.766 1.00 0.00 WT1 O ATOM 18572 H1 TIP3 6246 33.599 11.814 -17.420 1.00 0.00 WT1 H ATOM 18573 H2 TIP3 6246 34.446 11.918 -16.170 1.00 0.00 WT1 H ATOM 18574 OH2 TIP3 6248 54.368 81.421 22.472 1.00 0.00 WT1 O ATOM 18575 H1 TIP3 6248 54.167 81.008 23.311 1.00 0.00 WT1 H ATOM 18576 H2 TIP3 6248 54.604 82.321 22.697 1.00 0.00 WT1 H ATOM 18577 OH2 TIP3 6249 62.081 94.095 -11.868 1.00 0.00 WT1 O ATOM 18578 H1 TIP3 6249 62.350 94.860 -12.375 1.00 0.00 WT1 H ATOM 18579 H2 TIP3 6249 61.124 94.117 -11.890 1.00 0.00 WT1 H ATOM 18580 OH2 TIP3 6250 52.532 24.429 22.976 1.00 0.00 WT1 O ATOM 18581 H1 TIP3 6250 53.105 24.341 23.738 1.00 0.00 WT1 H ATOM 18582 H2 TIP3 6250 52.376 25.370 22.900 1.00 0.00 WT1 H ATOM 18583 OH2 TIP3 6251 21.059 69.680 38.840 1.00 0.00 WT1 O ATOM 18584 H1 TIP3 6251 21.383 69.974 37.989 1.00 0.00 WT1 H ATOM 18585 H2 TIP3 6251 21.830 69.692 39.407 1.00 0.00 WT1 H ATOM 18586 OH2 TIP3 6252 79.635 30.229 -8.470 1.00 0.00 WT1 O ATOM 18587 H1 TIP3 6252 79.582 29.273 -8.469 1.00 0.00 WT1 H ATOM 18588 H2 TIP3 6252 80.327 30.430 -9.100 1.00 0.00 WT1 H ATOM 18589 OH2 TIP3 6253 33.820 91.521 35.893 1.00 0.00 WT1 O ATOM 18590 H1 TIP3 6253 34.124 91.628 36.795 1.00 0.00 WT1 H ATOM 18591 H2 TIP3 6253 34.334 90.788 35.552 1.00 0.00 WT1 H ATOM 18592 OH2 TIP3 6254 59.091 82.048 36.886 1.00 0.00 WT1 O ATOM 18593 H1 TIP3 6254 58.194 81.814 37.124 1.00 0.00 WT1 H ATOM 18594 H2 TIP3 6254 59.640 81.488 37.434 1.00 0.00 WT1 H ATOM 18595 OH2 TIP3 6255 70.249 79.899 39.745 1.00 0.00 WT1 O ATOM 18596 H1 TIP3 6255 70.269 80.824 39.500 1.00 0.00 WT1 H ATOM 18597 H2 TIP3 6255 69.549 79.524 39.211 1.00 0.00 WT1 H ATOM 18598 OH2 TIP3 6256 37.488 58.058 59.104 1.00 0.00 WT1 O ATOM 18599 H1 TIP3 6256 36.819 57.390 59.252 1.00 0.00 WT1 H ATOM 18600 H2 TIP3 6256 37.106 58.638 58.445 1.00 0.00 WT1 H ATOM 18601 OH2 TIP3 6257 47.936 88.519 -0.875 1.00 0.00 WT1 O ATOM 18602 H1 TIP3 6257 47.956 89.304 -0.329 1.00 0.00 WT1 H ATOM 18603 H2 TIP3 6257 48.810 88.140 -0.784 1.00 0.00 WT1 H ATOM 18604 OH2 TIP3 6258 49.203 27.140 35.216 1.00 0.00 WT1 O ATOM 18605 H1 TIP3 6258 49.013 26.695 34.390 1.00 0.00 WT1 H ATOM 18606 H2 TIP3 6258 48.345 27.405 35.548 1.00 0.00 WT1 H ATOM 18607 OH2 TIP3 6260 42.482 43.796 -1.546 1.00 0.00 WT1 O ATOM 18608 H1 TIP3 6260 42.724 43.734 -0.622 1.00 0.00 WT1 H ATOM 18609 H2 TIP3 6260 43.315 43.896 -2.006 1.00 0.00 WT1 H ATOM 18610 OH2 TIP3 6261 53.858 45.958 53.958 1.00 0.00 WT1 O ATOM 18611 H1 TIP3 6261 53.040 46.431 54.111 1.00 0.00 WT1 H ATOM 18612 H2 TIP3 6261 53.594 45.169 53.485 1.00 0.00 WT1 H ATOM 18613 OH2 TIP3 6262 58.901 20.970 7.054 1.00 0.00 WT1 O ATOM 18614 H1 TIP3 6262 58.219 20.301 7.125 1.00 0.00 WT1 H ATOM 18615 H2 TIP3 6262 58.564 21.710 7.559 1.00 0.00 WT1 H ATOM 18616 OH2 TIP3 6263 37.118 7.223 53.489 1.00 0.00 WT1 O ATOM 18617 H1 TIP3 6263 37.931 7.144 53.988 1.00 0.00 WT1 H ATOM 18618 H2 TIP3 6263 36.767 8.079 53.734 1.00 0.00 WT1 H ATOM 18619 OH2 TIP3 6264 88.532 24.150 -13.718 1.00 0.00 WT1 O ATOM 18620 H1 TIP3 6264 87.625 23.850 -13.645 1.00 0.00 WT1 H ATOM 18621 H2 TIP3 6264 88.705 24.161 -14.660 1.00 0.00 WT1 H ATOM 18622 OH2 TIP3 6266 39.797 7.053 45.200 1.00 0.00 WT1 O ATOM 18623 H1 TIP3 6266 39.949 7.852 45.703 1.00 0.00 WT1 H ATOM 18624 H2 TIP3 6266 38.863 7.075 44.992 1.00 0.00 WT1 H ATOM 18625 OH2 TIP3 6267 65.042 9.347 -17.747 1.00 0.00 WT1 O ATOM 18626 H1 TIP3 6267 65.460 10.157 -17.454 1.00 0.00 WT1 H ATOM 18627 H2 TIP3 6267 65.485 8.657 -17.254 1.00 0.00 WT1 H ATOM 18628 OH2 TIP3 6268 23.527 7.416 -12.542 1.00 0.00 WT1 O ATOM 18629 H1 TIP3 6268 23.138 6.768 -13.130 1.00 0.00 WT1 H ATOM 18630 H2 TIP3 6268 24.429 7.120 -12.421 1.00 0.00 WT1 H ATOM 18631 OH2 TIP3 6269 28.059 1.946 6.648 1.00 0.00 WT1 O ATOM 18632 H1 TIP3 6269 27.253 2.461 6.618 1.00 0.00 WT1 H ATOM 18633 H2 TIP3 6269 27.789 1.063 6.394 1.00 0.00 WT1 H ATOM 18634 OH2 TIP3 6270 56.892 92.951 30.114 1.00 0.00 WT1 O ATOM 18635 H1 TIP3 6270 56.258 93.514 30.557 1.00 0.00 WT1 H ATOM 18636 H2 TIP3 6270 57.445 92.612 30.817 1.00 0.00 WT1 H ATOM 18637 OH2 TIP3 6271 59.024 14.866 -18.198 1.00 0.00 WT1 O ATOM 18638 H1 TIP3 6271 58.324 14.762 -17.553 1.00 0.00 WT1 H ATOM 18639 H2 TIP3 6271 59.775 14.416 -17.812 1.00 0.00 WT1 H ATOM 18640 OH2 TIP3 6272 32.348 96.390 -7.409 1.00 0.00 WT1 O ATOM 18641 H1 TIP3 6272 31.706 96.527 -8.105 1.00 0.00 WT1 H ATOM 18642 H2 TIP3 6272 31.823 96.177 -6.637 1.00 0.00 WT1 H ATOM 18643 OH2 TIP3 6273 72.105 46.156 25.555 1.00 0.00 WT1 O ATOM 18644 H1 TIP3 6273 72.470 46.387 26.410 1.00 0.00 WT1 H ATOM 18645 H2 TIP3 6273 71.170 46.034 25.719 1.00 0.00 WT1 H ATOM 18646 OH2 TIP3 6274 76.392 17.930 51.877 1.00 0.00 WT1 O ATOM 18647 H1 TIP3 6274 76.367 16.973 51.850 1.00 0.00 WT1 H ATOM 18648 H2 TIP3 6274 76.789 18.183 51.043 1.00 0.00 WT1 H ATOM 18649 OH2 TIP3 6275 36.379 81.956 4.727 1.00 0.00 WT1 O ATOM 18650 H1 TIP3 6275 35.874 81.498 4.056 1.00 0.00 WT1 H ATOM 18651 H2 TIP3 6275 37.051 82.432 4.238 1.00 0.00 WT1 H ATOM 18652 OH2 TIP3 6276 71.049 69.128 60.346 1.00 0.00 WT1 O ATOM 18653 H1 TIP3 6276 70.532 68.368 60.077 1.00 0.00 WT1 H ATOM 18654 H2 TIP3 6276 71.898 69.004 59.921 1.00 0.00 WT1 H ATOM 18655 OH2 TIP3 6278 53.420 2.969 30.765 1.00 0.00 WT1 O ATOM 18656 H1 TIP3 6278 53.616 3.719 30.204 1.00 0.00 WT1 H ATOM 18657 H2 TIP3 6278 53.023 2.327 30.177 1.00 0.00 WT1 H ATOM 18658 OH2 TIP3 6279 25.542 39.248 -4.408 1.00 0.00 WT1 O ATOM 18659 H1 TIP3 6279 24.884 38.710 -3.967 1.00 0.00 WT1 H ATOM 18660 H2 TIP3 6279 25.039 39.945 -4.829 1.00 0.00 WT1 H ATOM 18661 OH2 TIP3 6280 56.812 89.714 30.338 1.00 0.00 WT1 O ATOM 18662 H1 TIP3 6280 56.884 90.057 31.229 1.00 0.00 WT1 H ATOM 18663 H2 TIP3 6280 55.889 89.480 30.245 1.00 0.00 WT1 H ATOM 18664 OH2 TIP3 6281 22.372 27.936 -19.810 1.00 0.00 WT1 O ATOM 18665 H1 TIP3 6281 23.294 28.178 -19.895 1.00 0.00 WT1 H ATOM 18666 H2 TIP3 6281 21.986 28.640 -19.288 1.00 0.00 WT1 H ATOM 18667 OH2 TIP3 6282 67.101 28.451 63.598 1.00 0.00 WT1 O ATOM 18668 H1 TIP3 6282 67.808 27.821 63.733 1.00 0.00 WT1 H ATOM 18669 H2 TIP3 6282 67.475 29.111 63.014 1.00 0.00 WT1 H ATOM 18670 OH2 TIP3 6283 43.224 59.486 -14.820 1.00 0.00 WT1 O ATOM 18671 H1 TIP3 6283 43.751 59.774 -14.075 1.00 0.00 WT1 H ATOM 18672 H2 TIP3 6283 42.342 59.379 -14.463 1.00 0.00 WT1 H ATOM 18673 OH2 TIP3 6284 75.081 73.407 51.061 1.00 0.00 WT1 O ATOM 18674 H1 TIP3 6284 74.447 74.014 50.678 1.00 0.00 WT1 H ATOM 18675 H2 TIP3 6284 75.362 72.859 50.328 1.00 0.00 WT1 H ATOM 18676 OH2 TIP3 6285 65.981 11.973 12.718 1.00 0.00 WT1 O ATOM 18677 H1 TIP3 6285 66.910 12.201 12.681 1.00 0.00 WT1 H ATOM 18678 H2 TIP3 6285 65.701 12.249 13.590 1.00 0.00 WT1 H ATOM 18679 OH2 TIP3 6286 52.846 85.371 45.441 1.00 0.00 WT1 O ATOM 18680 H1 TIP3 6286 52.951 86.323 45.441 1.00 0.00 WT1 H ATOM 18681 H2 TIP3 6286 53.465 85.061 44.780 1.00 0.00 WT1 H ATOM 18682 OH2 TIP3 6287 22.193 19.529 5.690 1.00 0.00 WT1 O ATOM 18683 H1 TIP3 6287 21.714 19.086 4.990 1.00 0.00 WT1 H ATOM 18684 H2 TIP3 6287 22.765 20.148 5.236 1.00 0.00 WT1 H ATOM 18685 OH2 TIP3 6288 67.563 2.140 25.229 1.00 0.00 WT1 O ATOM 18686 H1 TIP3 6288 66.870 2.300 25.869 1.00 0.00 WT1 H ATOM 18687 H2 TIP3 6288 68.343 1.967 25.757 1.00 0.00 WT1 H ATOM 18688 OH2 TIP3 6289 26.344 24.724 -10.601 1.00 0.00 WT1 O ATOM 18689 H1 TIP3 6289 26.485 25.524 -10.095 1.00 0.00 WT1 H ATOM 18690 H2 TIP3 6289 27.172 24.249 -10.534 1.00 0.00 WT1 H ATOM 18691 OH2 TIP3 6290 52.647 26.987 -8.523 1.00 0.00 WT1 O ATOM 18692 H1 TIP3 6290 53.522 27.250 -8.239 1.00 0.00 WT1 H ATOM 18693 H2 TIP3 6290 52.181 27.812 -8.662 1.00 0.00 WT1 H ATOM 18694 OH2 TIP3 6291 77.665 15.768 38.136 1.00 0.00 WT1 O ATOM 18695 H1 TIP3 6291 77.931 15.602 39.041 1.00 0.00 WT1 H ATOM 18696 H2 TIP3 6291 77.973 15.002 37.651 1.00 0.00 WT1 H ATOM 18697 OH2 TIP3 6292 56.971 17.369 -0.408 1.00 0.00 WT1 O ATOM 18698 H1 TIP3 6292 56.027 17.387 -0.562 1.00 0.00 WT1 H ATOM 18699 H2 TIP3 6292 57.293 18.184 -0.794 1.00 0.00 WT1 H ATOM 18700 OH2 TIP3 6293 35.150 84.215 -12.635 1.00 0.00 WT1 O ATOM 18701 H1 TIP3 6293 34.410 84.056 -12.050 1.00 0.00 WT1 H ATOM 18702 H2 TIP3 6293 35.027 85.115 -12.939 1.00 0.00 WT1 H ATOM 18703 OH2 TIP3 6294 21.076 65.493 -13.831 1.00 0.00 WT1 O ATOM 18704 H1 TIP3 6294 20.295 65.992 -13.590 1.00 0.00 WT1 H ATOM 18705 H2 TIP3 6294 21.805 66.081 -13.638 1.00 0.00 WT1 H ATOM 18706 OH2 TIP3 6295 77.236 94.428 48.065 1.00 0.00 WT1 O ATOM 18707 H1 TIP3 6295 76.936 93.521 48.001 1.00 0.00 WT1 H ATOM 18708 H2 TIP3 6295 77.138 94.648 48.991 1.00 0.00 WT1 H ATOM 18709 OH2 TIP3 6296 50.027 14.124 36.518 1.00 0.00 WT1 O ATOM 18710 H1 TIP3 6296 49.343 13.720 35.985 1.00 0.00 WT1 H ATOM 18711 H2 TIP3 6296 49.643 14.189 37.393 1.00 0.00 WT1 H ATOM 18712 OH2 TIP3 6297 64.240 31.947 1.562 1.00 0.00 WT1 O ATOM 18713 H1 TIP3 6297 65.149 32.035 1.851 1.00 0.00 WT1 H ATOM 18714 H2 TIP3 6297 63.741 31.837 2.371 1.00 0.00 WT1 H ATOM 18715 OH2 TIP3 6298 78.153 21.890 -6.983 1.00 0.00 WT1 O ATOM 18716 H1 TIP3 6298 78.841 21.250 -7.169 1.00 0.00 WT1 H ATOM 18717 H2 TIP3 6298 78.304 22.146 -6.073 1.00 0.00 WT1 H ATOM 18718 OH2 TIP3 6299 44.743 94.054 37.080 1.00 0.00 WT1 O ATOM 18719 H1 TIP3 6299 43.881 93.640 37.114 1.00 0.00 WT1 H ATOM 18720 H2 TIP3 6299 44.616 94.828 36.532 1.00 0.00 WT1 H ATOM 18721 OH2 TIP3 6300 78.185 29.751 -11.956 1.00 0.00 WT1 O ATOM 18722 H1 TIP3 6300 78.256 28.926 -11.476 1.00 0.00 WT1 H ATOM 18723 H2 TIP3 6300 77.283 30.036 -11.813 1.00 0.00 WT1 H ATOM 18724 OH2 TIP3 6301 79.255 94.329 18.516 1.00 0.00 WT1 O ATOM 18725 H1 TIP3 6301 78.473 94.018 18.060 1.00 0.00 WT1 H ATOM 18726 H2 TIP3 6301 79.937 94.334 17.845 1.00 0.00 WT1 H ATOM 18727 OH2 TIP3 6302 85.868 11.153 8.291 1.00 0.00 WT1 O ATOM 18728 H1 TIP3 6302 85.282 11.485 7.611 1.00 0.00 WT1 H ATOM 18729 H2 TIP3 6302 86.162 10.304 7.961 1.00 0.00 WT1 H ATOM 18730 OH2 TIP3 6303 74.558 8.796 53.657 1.00 0.00 WT1 O ATOM 18731 H1 TIP3 6303 74.906 8.535 52.804 1.00 0.00 WT1 H ATOM 18732 H2 TIP3 6303 73.813 8.213 53.800 1.00 0.00 WT1 H ATOM 18733 OH2 TIP3 6304 37.371 62.463 21.441 1.00 0.00 WT1 O ATOM 18734 H1 TIP3 6304 37.361 62.307 20.497 1.00 0.00 WT1 H ATOM 18735 H2 TIP3 6304 38.154 62.008 21.752 1.00 0.00 WT1 H ATOM 18736 OH2 TIP3 6305 74.442 8.598 2.438 1.00 0.00 WT1 O ATOM 18737 H1 TIP3 6305 75.214 9.164 2.435 1.00 0.00 WT1 H ATOM 18738 H2 TIP3 6305 74.359 8.311 3.348 1.00 0.00 WT1 H ATOM 18739 OH2 TIP3 6306 55.215 32.006 44.577 1.00 0.00 WT1 O ATOM 18740 H1 TIP3 6306 54.545 31.695 43.969 1.00 0.00 WT1 H ATOM 18741 H2 TIP3 6306 55.507 32.839 44.207 1.00 0.00 WT1 H ATOM 18742 OH2 TIP3 6307 60.179 76.968 28.937 1.00 0.00 WT1 O ATOM 18743 H1 TIP3 6307 60.761 76.895 28.180 1.00 0.00 WT1 H ATOM 18744 H2 TIP3 6307 60.035 76.064 29.217 1.00 0.00 WT1 H ATOM 18745 OH2 TIP3 6308 41.278 65.477 -4.433 1.00 0.00 WT1 O ATOM 18746 H1 TIP3 6308 41.832 66.240 -4.266 1.00 0.00 WT1 H ATOM 18747 H2 TIP3 6308 41.159 65.075 -3.573 1.00 0.00 WT1 H ATOM 18748 OH2 TIP3 6309 50.173 15.053 4.730 1.00 0.00 WT1 O ATOM 18749 H1 TIP3 6309 50.102 15.104 5.683 1.00 0.00 WT1 H ATOM 18750 H2 TIP3 6309 50.318 14.124 4.549 1.00 0.00 WT1 H ATOM 18751 OH2 TIP3 6310 76.042 78.742 43.706 1.00 0.00 WT1 O ATOM 18752 H1 TIP3 6310 76.668 78.117 44.071 1.00 0.00 WT1 H ATOM 18753 H2 TIP3 6310 75.417 78.202 43.222 1.00 0.00 WT1 H ATOM 18754 OH2 TIP3 6311 81.298 88.540 16.258 1.00 0.00 WT1 O ATOM 18755 H1 TIP3 6311 80.888 88.369 17.106 1.00 0.00 WT1 H ATOM 18756 H2 TIP3 6311 82.149 88.921 16.476 1.00 0.00 WT1 H ATOM 18757 OH2 TIP3 6312 60.743 23.295 -1.767 1.00 0.00 WT1 O ATOM 18758 H1 TIP3 6312 60.893 22.355 -1.669 1.00 0.00 WT1 H ATOM 18759 H2 TIP3 6312 59.792 23.394 -1.708 1.00 0.00 WT1 H ATOM 18760 OH2 TIP3 6313 38.795 22.345 0.861 1.00 0.00 WT1 O ATOM 18761 H1 TIP3 6313 38.895 23.038 1.514 1.00 0.00 WT1 H ATOM 18762 H2 TIP3 6313 38.854 21.532 1.363 1.00 0.00 WT1 H ATOM 18763 OH2 TIP3 6315 64.277 43.591 -14.518 1.00 0.00 WT1 O ATOM 18764 H1 TIP3 6315 65.111 43.860 -14.132 1.00 0.00 WT1 H ATOM 18765 H2 TIP3 6315 64.017 42.820 -14.013 1.00 0.00 WT1 H ATOM 18766 OH2 TIP3 6316 75.240 64.389 29.837 1.00 0.00 WT1 O ATOM 18767 H1 TIP3 6316 74.757 64.073 29.073 1.00 0.00 WT1 H ATOM 18768 H2 TIP3 6316 75.163 63.683 30.478 1.00 0.00 WT1 H ATOM 18769 OH2 TIP3 6317 44.605 28.554 -7.126 1.00 0.00 WT1 O ATOM 18770 H1 TIP3 6317 44.345 29.344 -7.600 1.00 0.00 WT1 H ATOM 18771 H2 TIP3 6317 45.562 28.576 -7.131 1.00 0.00 WT1 H ATOM 18772 OH2 TIP3 6318 70.879 36.044 36.584 1.00 0.00 WT1 O ATOM 18773 H1 TIP3 6318 69.978 36.149 36.891 1.00 0.00 WT1 H ATOM 18774 H2 TIP3 6318 71.150 36.926 36.331 1.00 0.00 WT1 H ATOM 18775 OH2 TIP3 6319 46.750 37.732 62.748 1.00 0.00 WT1 O ATOM 18776 H1 TIP3 6319 46.597 38.605 63.110 1.00 0.00 WT1 H ATOM 18777 H2 TIP3 6319 47.694 37.600 62.832 1.00 0.00 WT1 H ATOM 18778 OH2 TIP3 6320 59.637 50.830 59.662 1.00 0.00 WT1 O ATOM 18779 H1 TIP3 6320 58.734 51.055 59.889 1.00 0.00 WT1 H ATOM 18780 H2 TIP3 6320 60.133 50.994 60.464 1.00 0.00 WT1 H ATOM 18781 OH2 TIP3 6321 51.701 37.391 -1.804 1.00 0.00 WT1 O ATOM 18782 H1 TIP3 6321 51.086 37.130 -1.118 1.00 0.00 WT1 H ATOM 18783 H2 TIP3 6321 51.154 37.805 -2.471 1.00 0.00 WT1 H ATOM 18784 OH2 TIP3 6323 25.940 10.263 62.416 1.00 0.00 WT1 O ATOM 18785 H1 TIP3 6323 25.234 9.618 62.458 1.00 0.00 WT1 H ATOM 18786 H2 TIP3 6323 26.613 9.922 63.004 1.00 0.00 WT1 H ATOM 18787 OH2 TIP3 6324 50.367 29.310 56.403 1.00 0.00 WT1 O ATOM 18788 H1 TIP3 6324 50.184 29.273 55.464 1.00 0.00 WT1 H ATOM 18789 H2 TIP3 6324 51.039 29.987 56.489 1.00 0.00 WT1 H ATOM 18790 OH2 TIP3 6325 39.952 5.835 -3.239 1.00 0.00 WT1 O ATOM 18791 H1 TIP3 6325 39.093 5.632 -2.870 1.00 0.00 WT1 H ATOM 18792 H2 TIP3 6325 39.791 5.944 -4.177 1.00 0.00 WT1 H ATOM 18793 OH2 TIP3 6326 79.628 53.537 47.575 1.00 0.00 WT1 O ATOM 18794 H1 TIP3 6326 79.814 54.081 48.340 1.00 0.00 WT1 H ATOM 18795 H2 TIP3 6326 80.164 53.913 46.877 1.00 0.00 WT1 H ATOM 18796 OH2 TIP3 6327 73.014 24.936 12.367 1.00 0.00 WT1 O ATOM 18797 H1 TIP3 6327 73.836 24.566 12.691 1.00 0.00 WT1 H ATOM 18798 H2 TIP3 6327 72.340 24.542 12.920 1.00 0.00 WT1 H ATOM 18799 OH2 TIP3 6328 64.655 13.206 64.350 1.00 0.00 WT1 O ATOM 18800 H1 TIP3 6328 65.557 13.077 64.643 1.00 0.00 WT1 H ATOM 18801 H2 TIP3 6328 64.305 13.877 64.936 1.00 0.00 WT1 H ATOM 18802 OH2 TIP3 6329 38.668 90.028 50.120 1.00 0.00 WT1 O ATOM 18803 H1 TIP3 6329 38.077 90.721 49.823 1.00 0.00 WT1 H ATOM 18804 H2 TIP3 6329 38.352 89.239 49.681 1.00 0.00 WT1 H ATOM 18805 OH2 TIP3 6330 76.445 47.948 32.394 1.00 0.00 WT1 O ATOM 18806 H1 TIP3 6330 75.932 47.243 31.998 1.00 0.00 WT1 H ATOM 18807 H2 TIP3 6330 75.874 48.307 33.073 1.00 0.00 WT1 H ATOM 18808 OH2 TIP3 6331 67.995 4.946 1.446 1.00 0.00 WT1 O ATOM 18809 H1 TIP3 6331 68.359 5.472 0.734 1.00 0.00 WT1 H ATOM 18810 H2 TIP3 6331 68.402 5.298 2.237 1.00 0.00 WT1 H ATOM 18811 OH2 TIP3 6332 70.515 88.951 -17.591 1.00 0.00 WT1 O ATOM 18812 H1 TIP3 6332 70.693 88.787 -16.665 1.00 0.00 WT1 H ATOM 18813 H2 TIP3 6332 70.424 89.902 -17.653 1.00 0.00 WT1 H ATOM 18814 OH2 TIP3 6333 59.996 17.991 -16.269 1.00 0.00 WT1 O ATOM 18815 H1 TIP3 6333 60.458 18.655 -15.757 1.00 0.00 WT1 H ATOM 18816 H2 TIP3 6333 59.249 17.743 -15.723 1.00 0.00 WT1 H ATOM 18817 OH2 TIP3 6334 46.043 21.700 35.595 1.00 0.00 WT1 O ATOM 18818 H1 TIP3 6334 45.879 22.620 35.805 1.00 0.00 WT1 H ATOM 18819 H2 TIP3 6334 45.191 21.360 35.322 1.00 0.00 WT1 H ATOM 18820 OH2 TIP3 6335 46.551 44.370 30.153 1.00 0.00 WT1 O ATOM 18821 H1 TIP3 6335 46.036 44.471 29.352 1.00 0.00 WT1 H ATOM 18822 H2 TIP3 6335 47.441 44.200 29.846 1.00 0.00 WT1 H ATOM 18823 OH2 TIP3 6336 56.259 89.056 -18.036 1.00 0.00 WT1 O ATOM 18824 H1 TIP3 6336 56.798 88.283 -18.203 1.00 0.00 WT1 H ATOM 18825 H2 TIP3 6336 56.039 89.388 -18.906 1.00 0.00 WT1 H ATOM 18826 OH2 TIP3 6337 71.650 0.860 45.318 1.00 0.00 WT1 O ATOM 18827 H1 TIP3 6337 71.205 1.303 46.041 1.00 0.00 WT1 H ATOM 18828 H2 TIP3 6337 71.889 0.004 45.672 1.00 0.00 WT1 H ATOM 18829 OH2 TIP3 6338 25.973 55.099 56.415 1.00 0.00 WT1 O ATOM 18830 H1 TIP3 6338 25.827 54.337 55.855 1.00 0.00 WT1 H ATOM 18831 H2 TIP3 6338 25.528 55.817 55.964 1.00 0.00 WT1 H ATOM 18832 OH2 TIP3 6339 48.744 30.437 -13.455 1.00 0.00 WT1 O ATOM 18833 H1 TIP3 6339 49.267 31.200 -13.211 1.00 0.00 WT1 H ATOM 18834 H2 TIP3 6339 48.720 29.900 -12.663 1.00 0.00 WT1 H ATOM 18835 OH2 TIP3 6340 80.335 74.028 5.237 1.00 0.00 WT1 O ATOM 18836 H1 TIP3 6340 79.964 74.556 5.944 1.00 0.00 WT1 H ATOM 18837 H2 TIP3 6340 79.813 73.226 5.237 1.00 0.00 WT1 H ATOM 18838 OH2 TIP3 6341 27.388 23.107 61.073 1.00 0.00 WT1 O ATOM 18839 H1 TIP3 6341 26.534 23.499 60.891 1.00 0.00 WT1 H ATOM 18840 H2 TIP3 6341 28.003 23.617 60.547 1.00 0.00 WT1 H ATOM 18841 OH2 TIP3 6342 56.040 29.456 8.365 1.00 0.00 WT1 O ATOM 18842 H1 TIP3 6342 55.224 29.122 8.737 1.00 0.00 WT1 H ATOM 18843 H2 TIP3 6342 56.582 29.666 9.126 1.00 0.00 WT1 H ATOM 18844 OH2 TIP3 6344 83.318 46.403 10.120 1.00 0.00 WT1 O ATOM 18845 H1 TIP3 6344 82.869 46.524 9.283 1.00 0.00 WT1 H ATOM 18846 H2 TIP3 6344 84.232 46.625 9.936 1.00 0.00 WT1 H ATOM 18847 OH2 TIP3 6345 76.062 45.792 30.390 1.00 0.00 WT1 O ATOM 18848 H1 TIP3 6345 75.798 46.181 29.557 1.00 0.00 WT1 H ATOM 18849 H2 TIP3 6345 75.348 45.195 30.614 1.00 0.00 WT1 H ATOM 18850 OH2 TIP3 6346 77.146 38.408 14.179 1.00 0.00 WT1 O ATOM 18851 H1 TIP3 6346 76.291 38.297 13.764 1.00 0.00 WT1 H ATOM 18852 H2 TIP3 6346 77.040 39.170 14.748 1.00 0.00 WT1 H ATOM 18853 OH2 TIP3 6347 89.694 30.856 60.471 1.00 0.00 WT1 O ATOM 18854 H1 TIP3 6347 90.078 30.911 59.596 1.00 0.00 WT1 H ATOM 18855 H2 TIP3 6347 89.152 30.067 60.447 1.00 0.00 WT1 H ATOM 18856 OH2 TIP3 6348 68.802 72.260 27.453 1.00 0.00 WT1 O ATOM 18857 H1 TIP3 6348 68.657 72.400 26.518 1.00 0.00 WT1 H ATOM 18858 H2 TIP3 6348 68.096 71.672 27.720 1.00 0.00 WT1 H ATOM 18859 OH2 TIP3 6349 87.209 44.193 24.216 1.00 0.00 WT1 O ATOM 18860 H1 TIP3 6349 86.794 43.756 23.472 1.00 0.00 WT1 H ATOM 18861 H2 TIP3 6349 86.479 44.463 24.773 1.00 0.00 WT1 H ATOM 18862 OH2 TIP3 6351 79.723 40.212 42.152 1.00 0.00 WT1 O ATOM 18863 H1 TIP3 6351 79.917 41.072 42.524 1.00 0.00 WT1 H ATOM 18864 H2 TIP3 6351 80.379 40.094 41.464 1.00 0.00 WT1 H ATOM 18865 OH2 TIP3 6352 46.720 2.868 44.063 1.00 0.00 WT1 O ATOM 18866 H1 TIP3 6352 46.676 1.952 44.339 1.00 0.00 WT1 H ATOM 18867 H2 TIP3 6352 47.602 3.149 44.307 1.00 0.00 WT1 H ATOM 18868 OH2 TIP3 6353 44.219 67.260 -13.149 1.00 0.00 WT1 O ATOM 18869 H1 TIP3 6353 43.366 67.014 -13.506 1.00 0.00 WT1 H ATOM 18870 H2 TIP3 6353 44.189 68.215 -13.094 1.00 0.00 WT1 H ATOM 18871 OH2 TIP3 6354 37.108 40.133 8.340 1.00 0.00 WT1 O ATOM 18872 H1 TIP3 6354 36.350 39.575 8.514 1.00 0.00 WT1 H ATOM 18873 H2 TIP3 6354 37.772 39.837 8.962 1.00 0.00 WT1 H ATOM 18874 OH2 TIP3 6356 74.056 12.080 1.809 1.00 0.00 WT1 O ATOM 18875 H1 TIP3 6356 73.870 11.175 1.557 1.00 0.00 WT1 H ATOM 18876 H2 TIP3 6356 75.011 12.139 1.800 1.00 0.00 WT1 H ATOM 18877 OH2 TIP3 6357 76.076 92.660 36.630 1.00 0.00 WT1 O ATOM 18878 H1 TIP3 6357 75.982 91.805 36.210 1.00 0.00 WT1 H ATOM 18879 H2 TIP3 6357 77.021 92.771 36.739 1.00 0.00 WT1 H ATOM 18880 OH2 TIP3 6358 74.796 1.699 -0.074 1.00 0.00 WT1 O ATOM 18881 H1 TIP3 6358 74.719 2.199 -0.887 1.00 0.00 WT1 H ATOM 18882 H2 TIP3 6358 75.642 1.959 0.289 1.00 0.00 WT1 H ATOM 18883 OH2 TIP3 6359 81.270 32.377 25.396 1.00 0.00 WT1 O ATOM 18884 H1 TIP3 6359 81.011 33.253 25.110 1.00 0.00 WT1 H ATOM 18885 H2 TIP3 6359 80.594 32.119 26.023 1.00 0.00 WT1 H ATOM 18886 OH2 TIP3 6360 78.324 34.501 -5.440 1.00 0.00 WT1 O ATOM 18887 H1 TIP3 6360 78.036 33.727 -4.956 1.00 0.00 WT1 H ATOM 18888 H2 TIP3 6360 79.026 34.870 -4.905 1.00 0.00 WT1 H ATOM 18889 OH2 TIP3 6362 67.909 96.277 34.388 1.00 0.00 WT1 O ATOM 18890 H1 TIP3 6362 68.550 95.642 34.706 1.00 0.00 WT1 H ATOM 18891 H2 TIP3 6362 67.125 95.758 34.208 1.00 0.00 WT1 H ATOM 18892 OH2 TIP3 6363 61.143 56.918 37.885 1.00 0.00 WT1 O ATOM 18893 H1 TIP3 6363 60.390 57.278 37.415 1.00 0.00 WT1 H ATOM 18894 H2 TIP3 6363 60.953 55.983 37.963 1.00 0.00 WT1 H ATOM 18895 OH2 TIP3 6364 34.028 90.868 -17.454 1.00 0.00 WT1 O ATOM 18896 H1 TIP3 6364 33.401 91.585 -17.542 1.00 0.00 WT1 H ATOM 18897 H2 TIP3 6364 33.506 90.129 -17.140 1.00 0.00 WT1 H ATOM 18898 OH2 TIP3 6365 68.191 79.535 50.400 1.00 0.00 WT1 O ATOM 18899 H1 TIP3 6365 68.007 79.095 51.231 1.00 0.00 WT1 H ATOM 18900 H2 TIP3 6365 67.620 79.100 49.767 1.00 0.00 WT1 H ATOM 18901 OH2 TIP3 6366 87.750 71.828 24.358 1.00 0.00 WT1 O ATOM 18902 H1 TIP3 6366 88.692 71.828 24.528 1.00 0.00 WT1 H ATOM 18903 H2 TIP3 6366 87.631 71.173 23.671 1.00 0.00 WT1 H ATOM 18904 OH2 TIP3 6367 39.516 48.873 -8.976 1.00 0.00 WT1 O ATOM 18905 H1 TIP3 6367 39.572 49.504 -8.258 1.00 0.00 WT1 H ATOM 18906 H2 TIP3 6367 40.330 48.994 -9.465 1.00 0.00 WT1 H ATOM 18907 OH2 TIP3 6368 40.772 80.671 -6.130 1.00 0.00 WT1 O ATOM 18908 H1 TIP3 6368 41.094 81.380 -5.574 1.00 0.00 WT1 H ATOM 18909 H2 TIP3 6368 41.140 79.876 -5.743 1.00 0.00 WT1 H ATOM 18910 OH2 TIP3 6369 55.695 15.897 3.003 1.00 0.00 WT1 O ATOM 18911 H1 TIP3 6369 55.870 15.315 3.743 1.00 0.00 WT1 H ATOM 18912 H2 TIP3 6369 55.221 16.635 3.385 1.00 0.00 WT1 H ATOM 18913 OH2 TIP3 6370 21.461 25.461 15.243 1.00 0.00 WT1 O ATOM 18914 H1 TIP3 6370 21.201 26.306 15.610 1.00 0.00 WT1 H ATOM 18915 H2 TIP3 6370 20.671 24.923 15.296 1.00 0.00 WT1 H ATOM 18916 OH2 TIP3 6371 39.908 86.368 40.849 1.00 0.00 WT1 O ATOM 18917 H1 TIP3 6371 40.477 86.142 41.585 1.00 0.00 WT1 H ATOM 18918 H2 TIP3 6371 39.928 85.594 40.285 1.00 0.00 WT1 H ATOM 18919 OH2 TIP3 6372 42.986 12.143 63.225 1.00 0.00 WT1 O ATOM 18920 H1 TIP3 6372 42.526 12.974 63.351 1.00 0.00 WT1 H ATOM 18921 H2 TIP3 6372 42.762 11.878 62.333 1.00 0.00 WT1 H ATOM 18922 OH2 TIP3 6373 25.313 33.253 66.875 1.00 0.00 WT1 O ATOM 18923 H1 TIP3 6373 24.948 32.431 67.202 1.00 0.00 WT1 H ATOM 18924 H2 TIP3 6373 25.300 33.839 67.632 1.00 0.00 WT1 H ATOM 18925 OH2 TIP3 6374 66.706 39.834 6.205 1.00 0.00 WT1 O ATOM 18926 H1 TIP3 6374 66.441 40.746 6.329 1.00 0.00 WT1 H ATOM 18927 H2 TIP3 6374 65.885 39.362 6.067 1.00 0.00 WT1 H ATOM 18928 OH2 TIP3 6375 71.566 49.074 15.256 1.00 0.00 WT1 O ATOM 18929 H1 TIP3 6375 70.798 49.116 15.826 1.00 0.00 WT1 H ATOM 18930 H2 TIP3 6375 71.263 48.602 14.480 1.00 0.00 WT1 H ATOM 18931 OH2 TIP3 6377 44.715 14.543 56.420 1.00 0.00 WT1 O ATOM 18932 H1 TIP3 6377 45.176 13.872 56.923 1.00 0.00 WT1 H ATOM 18933 H2 TIP3 6377 45.392 14.941 55.873 1.00 0.00 WT1 H ATOM 18934 OH2 TIP3 6379 59.894 88.383 48.616 1.00 0.00 WT1 O ATOM 18935 H1 TIP3 6379 59.520 87.871 47.900 1.00 0.00 WT1 H ATOM 18936 H2 TIP3 6379 59.446 88.065 49.400 1.00 0.00 WT1 H ATOM 18937 OH2 TIP3 6380 85.044 22.322 65.350 1.00 0.00 WT1 O ATOM 18938 H1 TIP3 6380 84.543 22.231 66.161 1.00 0.00 WT1 H ATOM 18939 H2 TIP3 6380 85.468 23.177 65.425 1.00 0.00 WT1 H ATOM 18940 OH2 TIP3 6381 71.966 96.433 63.683 1.00 0.00 WT1 O ATOM 18941 H1 TIP3 6381 71.869 96.205 64.607 1.00 0.00 WT1 H ATOM 18942 H2 TIP3 6381 72.038 95.591 63.234 1.00 0.00 WT1 H ATOM 18943 OH2 TIP3 6382 62.983 34.947 49.221 1.00 0.00 WT1 O ATOM 18944 H1 TIP3 6382 63.157 34.011 49.124 1.00 0.00 WT1 H ATOM 18945 H2 TIP3 6382 62.037 35.002 49.359 1.00 0.00 WT1 H ATOM 18946 OH2 TIP3 6383 75.923 44.671 -4.389 1.00 0.00 WT1 O ATOM 18947 H1 TIP3 6383 75.857 44.088 -3.632 1.00 0.00 WT1 H ATOM 18948 H2 TIP3 6383 75.471 44.203 -5.092 1.00 0.00 WT1 H ATOM 18949 OH2 TIP3 6384 84.583 46.679 60.525 1.00 0.00 WT1 O ATOM 18950 H1 TIP3 6384 83.725 46.811 60.928 1.00 0.00 WT1 H ATOM 18951 H2 TIP3 6384 84.816 47.536 60.170 1.00 0.00 WT1 H ATOM 18952 OH2 TIP3 6385 25.591 24.471 37.292 1.00 0.00 WT1 O ATOM 18953 H1 TIP3 6385 25.796 25.112 37.973 1.00 0.00 WT1 H ATOM 18954 H2 TIP3 6385 26.432 24.288 36.873 1.00 0.00 WT1 H ATOM 18955 OH2 TIP3 6386 56.973 84.263 59.326 1.00 0.00 WT1 O ATOM 18956 H1 TIP3 6386 57.142 84.371 58.390 1.00 0.00 WT1 H ATOM 18957 H2 TIP3 6386 56.572 83.396 59.398 1.00 0.00 WT1 H ATOM 18958 OH2 TIP3 6387 58.244 28.526 -13.072 1.00 0.00 WT1 O ATOM 18959 H1 TIP3 6387 58.832 28.109 -13.702 1.00 0.00 WT1 H ATOM 18960 H2 TIP3 6387 57.548 28.906 -13.608 1.00 0.00 WT1 H ATOM 18961 OH2 TIP3 6388 89.593 3.560 -15.709 1.00 0.00 WT1 O ATOM 18962 H1 TIP3 6388 88.699 3.401 -15.407 1.00 0.00 WT1 H ATOM 18963 H2 TIP3 6388 89.546 4.400 -16.167 1.00 0.00 WT1 H ATOM 18964 OH2 TIP3 6389 88.106 48.402 23.901 1.00 0.00 WT1 O ATOM 18965 H1 TIP3 6389 88.163 47.561 23.448 1.00 0.00 WT1 H ATOM 18966 H2 TIP3 6389 87.656 48.978 23.282 1.00 0.00 WT1 H ATOM 18967 OH2 TIP3 6390 30.293 78.925 20.914 1.00 0.00 WT1 O ATOM 18968 H1 TIP3 6390 30.524 78.307 20.220 1.00 0.00 WT1 H ATOM 18969 H2 TIP3 6390 29.372 78.744 21.099 1.00 0.00 WT1 H ATOM 18970 OH2 TIP3 6391 75.883 26.799 9.350 1.00 0.00 WT1 O ATOM 18971 H1 TIP3 6391 76.347 26.115 8.867 1.00 0.00 WT1 H ATOM 18972 H2 TIP3 6391 74.960 26.552 9.290 1.00 0.00 WT1 H ATOM 18973 OH2 TIP3 6392 34.129 39.306 -1.766 1.00 0.00 WT1 O ATOM 18974 H1 TIP3 6392 34.987 38.961 -1.518 1.00 0.00 WT1 H ATOM 18975 H2 TIP3 6392 34.294 39.810 -2.563 1.00 0.00 WT1 H ATOM 18976 OH2 TIP3 6393 76.117 85.584 1.704 1.00 0.00 WT1 O ATOM 18977 H1 TIP3 6393 75.232 85.306 1.941 1.00 0.00 WT1 H ATOM 18978 H2 TIP3 6393 76.268 85.194 0.843 1.00 0.00 WT1 H ATOM 18979 OH2 TIP3 6394 73.805 54.710 -14.148 1.00 0.00 WT1 O ATOM 18980 H1 TIP3 6394 74.161 53.823 -14.206 1.00 0.00 WT1 H ATOM 18981 H2 TIP3 6394 74.181 55.068 -13.344 1.00 0.00 WT1 H ATOM 18982 OH2 TIP3 6395 39.135 31.399 -13.543 1.00 0.00 WT1 O ATOM 18983 H1 TIP3 6395 38.861 30.705 -12.944 1.00 0.00 WT1 H ATOM 18984 H2 TIP3 6395 39.671 30.952 -14.198 1.00 0.00 WT1 H ATOM 18985 OH2 TIP3 6396 41.896 5.777 14.497 1.00 0.00 WT1 O ATOM 18986 H1 TIP3 6396 41.039 6.117 14.753 1.00 0.00 WT1 H ATOM 18987 H2 TIP3 6396 41.725 4.879 14.215 1.00 0.00 WT1 H ATOM 18988 OH2 TIP3 6397 68.553 25.154 28.427 1.00 0.00 WT1 O ATOM 18989 H1 TIP3 6397 68.714 24.346 27.939 1.00 0.00 WT1 H ATOM 18990 H2 TIP3 6397 68.197 25.760 27.776 1.00 0.00 WT1 H ATOM 18991 OH2 TIP3 6400 38.264 90.744 3.667 1.00 0.00 WT1 O ATOM 18992 H1 TIP3 6400 38.636 90.788 2.786 1.00 0.00 WT1 H ATOM 18993 H2 TIP3 6400 38.642 91.495 4.125 1.00 0.00 WT1 H ATOM 18994 OH2 TIP3 6401 38.933 85.411 28.470 1.00 0.00 WT1 O ATOM 18995 H1 TIP3 6401 38.524 84.690 27.991 1.00 0.00 WT1 H ATOM 18996 H2 TIP3 6401 39.650 85.002 28.954 1.00 0.00 WT1 H ATOM 18997 OH2 TIP3 6402 70.241 43.006 6.639 1.00 0.00 WT1 O ATOM 18998 H1 TIP3 6402 69.847 42.182 6.924 1.00 0.00 WT1 H ATOM 18999 H2 TIP3 6402 70.358 43.508 7.446 1.00 0.00 WT1 H ATOM 19000 OH2 TIP3 6403 53.565 50.870 -14.235 1.00 0.00 WT1 O ATOM 19001 H1 TIP3 6403 53.800 50.699 -13.323 1.00 0.00 WT1 H ATOM 19002 H2 TIP3 6403 52.738 50.404 -14.361 1.00 0.00 WT1 H ATOM 19003 OH2 TIP3 6404 51.865 33.396 67.552 1.00 0.00 WT1 O ATOM 19004 H1 TIP3 6404 51.477 32.529 67.435 1.00 0.00 WT1 H ATOM 19005 H2 TIP3 6404 52.204 33.626 66.687 1.00 0.00 WT1 H ATOM 19006 OH2 TIP3 6406 41.521 26.220 36.749 1.00 0.00 WT1 O ATOM 19007 H1 TIP3 6406 41.237 27.093 36.476 1.00 0.00 WT1 H ATOM 19008 H2 TIP3 6406 42.340 26.371 37.221 1.00 0.00 WT1 H ATOM 19009 OH2 TIP3 6407 42.397 39.561 -6.869 1.00 0.00 WT1 O ATOM 19010 H1 TIP3 6407 42.573 40.501 -6.829 1.00 0.00 WT1 H ATOM 19011 H2 TIP3 6407 43.183 39.153 -6.507 1.00 0.00 WT1 H ATOM 19012 OH2 TIP3 6408 21.839 90.278 -13.151 1.00 0.00 WT1 O ATOM 19013 H1 TIP3 6408 21.600 90.415 -12.234 1.00 0.00 WT1 H ATOM 19014 H2 TIP3 6408 22.552 89.641 -13.121 1.00 0.00 WT1 H ATOM 19015 OH2 TIP3 6409 61.506 12.336 53.060 1.00 0.00 WT1 O ATOM 19016 H1 TIP3 6409 61.428 13.288 53.000 1.00 0.00 WT1 H ATOM 19017 H2 TIP3 6409 60.858 12.003 52.439 1.00 0.00 WT1 H ATOM 19018 OH2 TIP3 6410 63.221 19.195 51.250 1.00 0.00 WT1 O ATOM 19019 H1 TIP3 6410 63.332 19.462 52.163 1.00 0.00 WT1 H ATOM 19020 H2 TIP3 6410 62.378 19.568 50.992 1.00 0.00 WT1 H ATOM 19021 OH2 TIP3 6411 54.730 34.328 5.463 1.00 0.00 WT1 O ATOM 19022 H1 TIP3 6411 54.783 33.427 5.783 1.00 0.00 WT1 H ATOM 19023 H2 TIP3 6411 54.684 34.862 6.256 1.00 0.00 WT1 H ATOM 19024 OH2 TIP3 6412 38.109 85.804 58.814 1.00 0.00 WT1 O ATOM 19025 H1 TIP3 6412 37.473 85.820 59.529 1.00 0.00 WT1 H ATOM 19026 H2 TIP3 6412 37.719 86.354 58.134 1.00 0.00 WT1 H ATOM 19027 OH2 TIP3 6413 28.288 59.514 55.908 1.00 0.00 WT1 O ATOM 19028 H1 TIP3 6413 28.275 60.254 56.516 1.00 0.00 WT1 H ATOM 19029 H2 TIP3 6413 28.238 58.741 56.470 1.00 0.00 WT1 H ATOM 19030 OH2 TIP3 6415 73.028 38.150 -15.054 1.00 0.00 WT1 O ATOM 19031 H1 TIP3 6415 72.994 37.765 -14.178 1.00 0.00 WT1 H ATOM 19032 H2 TIP3 6415 73.062 37.398 -15.646 1.00 0.00 WT1 H ATOM 19033 OH2 TIP3 6417 59.078 21.823 52.863 1.00 0.00 WT1 O ATOM 19034 H1 TIP3 6417 59.809 22.042 52.284 1.00 0.00 WT1 H ATOM 19035 H2 TIP3 6417 58.837 20.930 52.616 1.00 0.00 WT1 H ATOM 19036 OH2 TIP3 6418 79.386 53.888 38.494 1.00 0.00 WT1 O ATOM 19037 H1 TIP3 6418 78.975 54.752 38.527 1.00 0.00 WT1 H ATOM 19038 H2 TIP3 6418 80.325 54.070 38.478 1.00 0.00 WT1 H ATOM 19039 OH2 TIP3 6419 72.574 67.947 28.729 1.00 0.00 WT1 O ATOM 19040 H1 TIP3 6419 71.961 67.226 28.586 1.00 0.00 WT1 H ATOM 19041 H2 TIP3 6419 72.088 68.730 28.470 1.00 0.00 WT1 H ATOM 19042 OH2 TIP3 6420 41.882 59.055 64.811 1.00 0.00 WT1 O ATOM 19043 H1 TIP3 6420 42.547 58.695 65.398 1.00 0.00 WT1 H ATOM 19044 H2 TIP3 6420 41.723 59.939 65.143 1.00 0.00 WT1 H ATOM 19045 OH2 TIP3 6421 22.162 9.861 -9.564 1.00 0.00 WT1 O ATOM 19046 H1 TIP3 6421 21.285 10.187 -9.767 1.00 0.00 WT1 H ATOM 19047 H2 TIP3 6421 22.121 9.622 -8.638 1.00 0.00 WT1 H ATOM 19048 OH2 TIP3 6422 81.796 40.288 9.332 1.00 0.00 WT1 O ATOM 19049 H1 TIP3 6422 81.484 40.512 8.455 1.00 0.00 WT1 H ATOM 19050 H2 TIP3 6422 81.144 39.673 9.668 1.00 0.00 WT1 H ATOM 19051 OH2 TIP3 6424 35.022 31.177 26.566 1.00 0.00 WT1 O ATOM 19052 H1 TIP3 6424 35.397 32.050 26.445 1.00 0.00 WT1 H ATOM 19053 H2 TIP3 6424 35.292 30.921 27.448 1.00 0.00 WT1 H ATOM 19054 OH2 TIP3 6425 88.019 49.366 39.860 1.00 0.00 WT1 O ATOM 19055 H1 TIP3 6425 87.750 50.121 40.383 1.00 0.00 WT1 H ATOM 19056 H2 TIP3 6425 87.803 49.608 38.959 1.00 0.00 WT1 H ATOM 19057 OH2 TIP3 6427 33.485 18.743 45.001 1.00 0.00 WT1 O ATOM 19058 H1 TIP3 6427 32.638 19.120 44.761 1.00 0.00 WT1 H ATOM 19059 H2 TIP3 6427 34.031 18.865 44.224 1.00 0.00 WT1 H ATOM 19060 OH2 TIP3 6428 65.880 65.906 -3.231 1.00 0.00 WT1 O ATOM 19061 H1 TIP3 6428 66.042 65.179 -3.832 1.00 0.00 WT1 H ATOM 19062 H2 TIP3 6428 65.935 65.513 -2.360 1.00 0.00 WT1 H ATOM 19063 OH2 TIP3 6429 60.541 48.355 -16.185 1.00 0.00 WT1 O ATOM 19064 H1 TIP3 6429 61.435 48.633 -15.986 1.00 0.00 WT1 H ATOM 19065 H2 TIP3 6429 60.326 47.726 -15.496 1.00 0.00 WT1 H ATOM 19066 OH2 TIP3 6430 39.039 27.925 -17.035 1.00 0.00 WT1 O ATOM 19067 H1 TIP3 6430 38.089 27.835 -16.967 1.00 0.00 WT1 H ATOM 19068 H2 TIP3 6430 39.206 28.011 -17.974 1.00 0.00 WT1 H ATOM 19069 OH2 TIP3 6431 30.557 51.050 -7.883 1.00 0.00 WT1 O ATOM 19070 H1 TIP3 6431 31.240 50.814 -8.510 1.00 0.00 WT1 H ATOM 19071 H2 TIP3 6431 30.938 50.854 -7.027 1.00 0.00 WT1 H ATOM 19072 OH2 TIP3 6432 55.966 60.775 48.675 1.00 0.00 WT1 O ATOM 19073 H1 TIP3 6432 56.666 60.182 48.405 1.00 0.00 WT1 H ATOM 19074 H2 TIP3 6432 56.155 61.594 48.217 1.00 0.00 WT1 H ATOM 19075 OH2 TIP3 6433 68.930 65.114 21.736 1.00 0.00 WT1 O ATOM 19076 H1 TIP3 6433 67.996 65.262 21.884 1.00 0.00 WT1 H ATOM 19077 H2 TIP3 6433 68.981 64.221 21.398 1.00 0.00 WT1 H ATOM 19078 OH2 TIP3 6434 66.618 8.923 35.915 1.00 0.00 WT1 O ATOM 19079 H1 TIP3 6434 67.533 8.914 36.196 1.00 0.00 WT1 H ATOM 19080 H2 TIP3 6434 66.121 8.722 36.708 1.00 0.00 WT1 H ATOM 19081 OH2 TIP3 6435 65.943 20.977 29.504 1.00 0.00 WT1 O ATOM 19082 H1 TIP3 6435 66.111 21.907 29.651 1.00 0.00 WT1 H ATOM 19083 H2 TIP3 6435 66.149 20.838 28.580 1.00 0.00 WT1 H ATOM 19084 OH2 TIP3 6436 30.797 40.096 -7.833 1.00 0.00 WT1 O ATOM 19085 H1 TIP3 6436 30.769 39.458 -7.120 1.00 0.00 WT1 H ATOM 19086 H2 TIP3 6436 30.225 40.807 -7.542 1.00 0.00 WT1 H ATOM 19087 OH2 TIP3 6437 74.937 56.129 37.289 1.00 0.00 WT1 O ATOM 19088 H1 TIP3 6437 74.787 57.071 37.363 1.00 0.00 WT1 H ATOM 19089 H2 TIP3 6437 74.936 55.959 36.347 1.00 0.00 WT1 H ATOM 19090 OH2 TIP3 6438 34.166 16.392 -9.194 1.00 0.00 WT1 O ATOM 19091 H1 TIP3 6438 33.415 16.192 -8.635 1.00 0.00 WT1 H ATOM 19092 H2 TIP3 6438 33.866 17.109 -9.752 1.00 0.00 WT1 H ATOM 19093 OH2 TIP3 6439 86.239 90.225 54.389 1.00 0.00 WT1 O ATOM 19094 H1 TIP3 6439 85.370 90.607 54.266 1.00 0.00 WT1 H ATOM 19095 H2 TIP3 6439 86.185 89.774 55.232 1.00 0.00 WT1 H ATOM 19096 OH2 TIP3 6440 61.895 32.730 0.857 1.00 0.00 WT1 O ATOM 19097 H1 TIP3 6440 62.779 32.427 1.066 1.00 0.00 WT1 H ATOM 19098 H2 TIP3 6440 61.553 33.062 1.688 1.00 0.00 WT1 H ATOM 19099 OH2 TIP3 6441 71.806 37.528 23.393 1.00 0.00 WT1 O ATOM 19100 H1 TIP3 6441 71.316 37.029 22.740 1.00 0.00 WT1 H ATOM 19101 H2 TIP3 6441 71.385 38.388 23.404 1.00 0.00 WT1 H ATOM 19102 OH2 TIP3 6442 40.744 46.621 31.640 1.00 0.00 WT1 O ATOM 19103 H1 TIP3 6442 41.123 46.551 30.764 1.00 0.00 WT1 H ATOM 19104 H2 TIP3 6442 41.257 47.305 32.070 1.00 0.00 WT1 H ATOM 19105 OH2 TIP3 6443 45.920 43.946 27.547 1.00 0.00 WT1 O ATOM 19106 H1 TIP3 6443 46.755 43.513 27.371 1.00 0.00 WT1 H ATOM 19107 H2 TIP3 6443 45.724 44.426 26.742 1.00 0.00 WT1 H ATOM 19108 OH2 TIP3 6444 54.191 55.174 -8.954 1.00 0.00 WT1 O ATOM 19109 H1 TIP3 6444 53.495 54.692 -8.507 1.00 0.00 WT1 H ATOM 19110 H2 TIP3 6444 53.884 55.258 -9.857 1.00 0.00 WT1 H ATOM 19111 OH2 TIP3 6446 70.244 46.009 49.176 1.00 0.00 WT1 O ATOM 19112 H1 TIP3 6446 69.702 46.785 49.029 1.00 0.00 WT1 H ATOM 19113 H2 TIP3 6446 70.811 45.964 48.406 1.00 0.00 WT1 H ATOM 19114 OH2 TIP3 6448 45.061 74.668 64.801 1.00 0.00 WT1 O ATOM 19115 H1 TIP3 6448 44.436 74.063 64.402 1.00 0.00 WT1 H ATOM 19116 H2 TIP3 6448 45.203 75.340 64.135 1.00 0.00 WT1 H ATOM 19117 OH2 TIP3 6449 50.645 25.935 0.200 1.00 0.00 WT1 O ATOM 19118 H1 TIP3 6449 51.293 25.756 0.881 1.00 0.00 WT1 H ATOM 19119 H2 TIP3 6449 50.843 26.825 -0.093 1.00 0.00 WT1 H ATOM 19120 OH2 TIP3 6450 45.101 57.308 5.826 1.00 0.00 WT1 O ATOM 19121 H1 TIP3 6450 46.042 57.224 5.983 1.00 0.00 WT1 H ATOM 19122 H2 TIP3 6450 44.693 56.950 6.614 1.00 0.00 WT1 H ATOM 19123 OH2 TIP3 6451 25.225 21.834 48.373 1.00 0.00 WT1 O ATOM 19124 H1 TIP3 6451 25.314 21.223 49.105 1.00 0.00 WT1 H ATOM 19125 H2 TIP3 6451 26.026 22.357 48.398 1.00 0.00 WT1 H ATOM 19126 OH2 TIP3 6452 51.507 49.145 43.249 1.00 0.00 WT1 O ATOM 19127 H1 TIP3 6452 51.153 48.508 42.629 1.00 0.00 WT1 H ATOM 19128 H2 TIP3 6452 51.526 48.681 44.086 1.00 0.00 WT1 H ATOM 19129 OH2 TIP3 6453 44.989 57.967 -4.381 1.00 0.00 WT1 O ATOM 19130 H1 TIP3 6453 45.105 58.243 -3.472 1.00 0.00 WT1 H ATOM 19131 H2 TIP3 6453 45.880 57.862 -4.715 1.00 0.00 WT1 H ATOM 19132 OH2 TIP3 6454 30.170 88.898 29.308 1.00 0.00 WT1 O ATOM 19133 H1 TIP3 6454 30.503 88.940 30.204 1.00 0.00 WT1 H ATOM 19134 H2 TIP3 6454 30.643 89.589 28.844 1.00 0.00 WT1 H ATOM 19135 OH2 TIP3 6455 43.378 1.340 64.286 1.00 0.00 WT1 O ATOM 19136 H1 TIP3 6455 43.023 1.050 65.126 1.00 0.00 WT1 H ATOM 19137 H2 TIP3 6455 43.040 0.707 63.652 1.00 0.00 WT1 H ATOM 19138 OH2 TIP3 6456 29.297 27.408 33.604 1.00 0.00 WT1 O ATOM 19139 H1 TIP3 6456 28.404 27.079 33.703 1.00 0.00 WT1 H ATOM 19140 H2 TIP3 6456 29.296 27.855 32.758 1.00 0.00 WT1 H ATOM 19141 OH2 TIP3 6457 81.252 43.131 33.421 1.00 0.00 WT1 O ATOM 19142 H1 TIP3 6457 82.167 42.993 33.176 1.00 0.00 WT1 H ATOM 19143 H2 TIP3 6457 80.765 42.487 32.906 1.00 0.00 WT1 H ATOM 19144 OH2 TIP3 6461 71.963 76.773 49.437 1.00 0.00 WT1 O ATOM 19145 H1 TIP3 6461 72.093 76.613 50.372 1.00 0.00 WT1 H ATOM 19146 H2 TIP3 6461 71.639 77.672 49.390 1.00 0.00 WT1 H ATOM 19147 OH2 TIP3 6462 72.193 62.897 51.298 1.00 0.00 WT1 O ATOM 19148 H1 TIP3 6462 72.508 63.789 51.444 1.00 0.00 WT1 H ATOM 19149 H2 TIP3 6462 72.052 62.843 50.353 1.00 0.00 WT1 H ATOM 19150 OH2 TIP3 6464 29.389 15.028 5.010 1.00 0.00 WT1 O ATOM 19151 H1 TIP3 6464 29.653 15.713 4.396 1.00 0.00 WT1 H ATOM 19152 H2 TIP3 6464 30.039 15.070 5.711 1.00 0.00 WT1 H ATOM 19153 OH2 TIP3 6465 71.284 64.514 25.759 1.00 0.00 WT1 O ATOM 19154 H1 TIP3 6465 71.583 64.538 24.850 1.00 0.00 WT1 H ATOM 19155 H2 TIP3 6465 70.349 64.321 25.699 1.00 0.00 WT1 H ATOM 19156 OH2 TIP3 6467 41.857 49.896 -18.411 1.00 0.00 WT1 O ATOM 19157 H1 TIP3 6467 41.108 50.252 -18.889 1.00 0.00 WT1 H ATOM 19158 H2 TIP3 6467 42.540 50.561 -18.504 1.00 0.00 WT1 H ATOM 19159 OH2 TIP3 6468 79.711 96.343 49.407 1.00 0.00 WT1 O ATOM 19160 H1 TIP3 6468 79.201 96.870 48.793 1.00 0.00 WT1 H ATOM 19161 H2 TIP3 6468 79.457 95.440 49.217 1.00 0.00 WT1 H ATOM 19162 OH2 TIP3 6469 69.433 18.007 -0.710 1.00 0.00 WT1 O ATOM 19163 H1 TIP3 6469 69.576 18.923 -0.471 1.00 0.00 WT1 H ATOM 19164 H2 TIP3 6469 69.350 17.551 0.127 1.00 0.00 WT1 H ATOM 19165 OH2 TIP3 6470 67.964 46.269 -7.382 1.00 0.00 WT1 O ATOM 19166 H1 TIP3 6470 67.422 46.968 -7.747 1.00 0.00 WT1 H ATOM 19167 H2 TIP3 6470 67.411 45.858 -6.717 1.00 0.00 WT1 H ATOM 19168 OH2 TIP3 6471 39.723 28.867 11.780 1.00 0.00 WT1 O ATOM 19169 H1 TIP3 6471 40.648 28.639 11.684 1.00 0.00 WT1 H ATOM 19170 H2 TIP3 6471 39.656 29.234 12.661 1.00 0.00 WT1 H ATOM 19171 OH2 TIP3 6472 84.975 68.886 2.162 1.00 0.00 WT1 O ATOM 19172 H1 TIP3 6472 84.543 69.739 2.111 1.00 0.00 WT1 H ATOM 19173 H2 TIP3 6472 85.748 69.040 2.704 1.00 0.00 WT1 H ATOM 19174 OH2 TIP3 6474 29.935 28.701 -10.137 1.00 0.00 WT1 O ATOM 19175 H1 TIP3 6474 30.877 28.733 -9.975 1.00 0.00 WT1 H ATOM 19176 H2 TIP3 6474 29.839 28.968 -11.051 1.00 0.00 WT1 H ATOM 19177 OH2 TIP3 6475 85.296 11.486 51.686 1.00 0.00 WT1 O ATOM 19178 H1 TIP3 6475 85.533 10.649 51.287 1.00 0.00 WT1 H ATOM 19179 H2 TIP3 6475 86.059 11.726 52.213 1.00 0.00 WT1 H ATOM 19180 OH2 TIP3 6476 55.246 57.659 51.491 1.00 0.00 WT1 O ATOM 19181 H1 TIP3 6476 54.704 56.951 51.142 1.00 0.00 WT1 H ATOM 19182 H2 TIP3 6476 55.770 57.950 50.745 1.00 0.00 WT1 H ATOM 19183 OH2 TIP3 6478 90.829 53.762 31.365 1.00 0.00 WT1 O ATOM 19184 H1 TIP3 6478 89.914 53.481 31.351 1.00 0.00 WT1 H ATOM 19185 H2 TIP3 6478 91.129 53.558 32.251 1.00 0.00 WT1 H ATOM 19186 OH2 TIP3 6479 30.206 34.113 66.594 1.00 0.00 WT1 O ATOM 19187 H1 TIP3 6479 30.362 34.221 65.656 1.00 0.00 WT1 H ATOM 19188 H2 TIP3 6479 30.814 34.724 67.011 1.00 0.00 WT1 H ATOM 19189 OH2 TIP3 6481 23.456 25.497 39.512 1.00 0.00 WT1 O ATOM 19190 H1 TIP3 6481 23.124 24.629 39.741 1.00 0.00 WT1 H ATOM 19191 H2 TIP3 6481 22.673 26.003 39.295 1.00 0.00 WT1 H ATOM 19192 OH2 TIP3 6482 64.553 85.900 21.622 1.00 0.00 WT1 O ATOM 19193 H1 TIP3 6482 64.242 86.561 22.241 1.00 0.00 WT1 H ATOM 19194 H2 TIP3 6482 64.048 85.116 21.835 1.00 0.00 WT1 H ATOM 19195 OH2 TIP3 6483 21.731 39.671 -2.420 1.00 0.00 WT1 O ATOM 19196 H1 TIP3 6483 22.606 39.758 -2.041 1.00 0.00 WT1 H ATOM 19197 H2 TIP3 6483 21.156 39.531 -1.668 1.00 0.00 WT1 H ATOM 19198 OH2 TIP3 6486 28.025 17.921 42.467 1.00 0.00 WT1 O ATOM 19199 H1 TIP3 6486 28.659 17.844 41.754 1.00 0.00 WT1 H ATOM 19200 H2 TIP3 6486 27.786 18.848 42.476 1.00 0.00 WT1 H ATOM 19201 OH2 TIP3 6488 22.611 43.230 57.747 1.00 0.00 WT1 O ATOM 19202 H1 TIP3 6488 22.933 42.888 58.582 1.00 0.00 WT1 H ATOM 19203 H2 TIP3 6488 21.665 43.313 57.871 1.00 0.00 WT1 H ATOM 19204 OH2 TIP3 6489 82.956 29.329 -18.119 1.00 0.00 WT1 O ATOM 19205 H1 TIP3 6489 83.026 29.932 -18.859 1.00 0.00 WT1 H ATOM 19206 H2 TIP3 6489 83.826 29.336 -17.720 1.00 0.00 WT1 H ATOM 19207 OH2 TIP3 6490 48.776 59.687 12.357 1.00 0.00 WT1 O ATOM 19208 H1 TIP3 6490 48.706 59.343 13.247 1.00 0.00 WT1 H ATOM 19209 H2 TIP3 6490 49.716 59.795 12.214 1.00 0.00 WT1 H ATOM 19210 OH2 TIP3 6491 46.158 31.891 4.000 1.00 0.00 WT1 O ATOM 19211 H1 TIP3 6491 46.516 31.015 3.860 1.00 0.00 WT1 H ATOM 19212 H2 TIP3 6491 45.961 31.923 4.936 1.00 0.00 WT1 H ATOM 19213 OH2 TIP3 6492 52.975 86.170 36.045 1.00 0.00 WT1 O ATOM 19214 H1 TIP3 6492 53.335 86.994 36.371 1.00 0.00 WT1 H ATOM 19215 H2 TIP3 6492 53.717 85.734 35.626 1.00 0.00 WT1 H ATOM 19216 OH2 TIP3 6493 88.505 11.578 60.418 1.00 0.00 WT1 O ATOM 19217 H1 TIP3 6493 87.820 11.763 59.777 1.00 0.00 WT1 H ATOM 19218 H2 TIP3 6493 88.198 11.993 61.224 1.00 0.00 WT1 H ATOM 19219 OH2 TIP3 6494 58.323 41.102 64.261 1.00 0.00 WT1 O ATOM 19220 H1 TIP3 6494 58.229 40.656 63.419 1.00 0.00 WT1 H ATOM 19221 H2 TIP3 6494 58.051 42.003 64.088 1.00 0.00 WT1 H ATOM 19222 OH2 TIP3 6495 41.808 35.200 5.159 1.00 0.00 WT1 O ATOM 19223 H1 TIP3 6495 41.769 36.089 5.512 1.00 0.00 WT1 H ATOM 19224 H2 TIP3 6495 42.349 34.718 5.784 1.00 0.00 WT1 H ATOM 19225 OH2 TIP3 6496 64.427 91.352 22.482 1.00 0.00 WT1 O ATOM 19226 H1 TIP3 6496 64.575 92.167 22.002 1.00 0.00 WT1 H ATOM 19227 H2 TIP3 6496 64.699 91.548 23.378 1.00 0.00 WT1 H ATOM 19228 OH2 TIP3 6497 59.394 64.533 24.356 1.00 0.00 WT1 O ATOM 19229 H1 TIP3 6497 59.174 65.463 24.401 1.00 0.00 WT1 H ATOM 19230 H2 TIP3 6497 58.908 64.209 23.597 1.00 0.00 WT1 H ATOM 19231 OH2 TIP3 6499 67.755 60.536 -17.616 1.00 0.00 WT1 O ATOM 19232 H1 TIP3 6499 67.852 59.634 -17.920 1.00 0.00 WT1 H ATOM 19233 H2 TIP3 6499 68.640 60.800 -17.364 1.00 0.00 WT1 H ATOM 19234 OH2 TIP3 6500 76.672 40.098 21.652 1.00 0.00 WT1 O ATOM 19235 H1 TIP3 6500 75.869 40.521 21.958 1.00 0.00 WT1 H ATOM 19236 H2 TIP3 6500 76.639 40.182 20.699 1.00 0.00 WT1 H ATOM 19237 OH2 TIP3 6501 63.233 58.187 20.873 1.00 0.00 WT1 O ATOM 19238 H1 TIP3 6501 62.917 57.913 20.012 1.00 0.00 WT1 H ATOM 19239 H2 TIP3 6501 62.446 58.226 21.417 1.00 0.00 WT1 H ATOM 19240 OH2 TIP3 6503 66.145 83.262 5.032 1.00 0.00 WT1 O ATOM 19241 H1 TIP3 6503 66.430 83.048 4.144 1.00 0.00 WT1 H ATOM 19242 H2 TIP3 6503 65.404 83.857 4.910 1.00 0.00 WT1 H ATOM 19243 OH2 TIP3 6506 65.431 76.880 17.738 1.00 0.00 WT1 O ATOM 19244 H1 TIP3 6506 65.876 77.560 18.242 1.00 0.00 WT1 H ATOM 19245 H2 TIP3 6506 65.386 77.231 16.848 1.00 0.00 WT1 H ATOM 19246 OH2 TIP3 6508 70.606 40.665 34.416 1.00 0.00 WT1 O ATOM 19247 H1 TIP3 6508 70.328 41.533 34.709 1.00 0.00 WT1 H ATOM 19248 H2 TIP3 6508 70.860 40.790 33.502 1.00 0.00 WT1 H ATOM 19249 OH2 TIP3 6509 67.990 60.800 28.889 1.00 0.00 WT1 O ATOM 19250 H1 TIP3 6509 67.356 60.089 28.979 1.00 0.00 WT1 H ATOM 19251 H2 TIP3 6509 68.152 60.859 27.947 1.00 0.00 WT1 H ATOM 19252 OH2 TIP3 6510 50.515 56.796 57.064 1.00 0.00 WT1 O ATOM 19253 H1 TIP3 6510 50.199 56.776 56.160 1.00 0.00 WT1 H ATOM 19254 H2 TIP3 6510 51.467 56.845 56.985 1.00 0.00 WT1 H ATOM 19255 OH2 TIP3 6511 68.959 94.344 13.449 1.00 0.00 WT1 O ATOM 19256 H1 TIP3 6511 69.844 94.306 13.813 1.00 0.00 WT1 H ATOM 19257 H2 TIP3 6511 68.881 93.547 12.925 1.00 0.00 WT1 H ATOM 19258 OH2 TIP3 6512 67.874 16.736 -15.448 1.00 0.00 WT1 O ATOM 19259 H1 TIP3 6512 68.081 16.115 -16.146 1.00 0.00 WT1 H ATOM 19260 H2 TIP3 6512 67.810 17.582 -15.892 1.00 0.00 WT1 H ATOM 19261 OH2 TIP3 6513 89.674 55.570 -7.456 1.00 0.00 WT1 O ATOM 19262 H1 TIP3 6513 88.723 55.480 -7.402 1.00 0.00 WT1 H ATOM 19263 H2 TIP3 6513 89.939 55.850 -6.580 1.00 0.00 WT1 H ATOM 19264 OH2 TIP3 6514 34.267 62.228 48.445 1.00 0.00 WT1 O ATOM 19265 H1 TIP3 6514 34.178 61.579 47.746 1.00 0.00 WT1 H ATOM 19266 H2 TIP3 6514 35.121 62.632 48.289 1.00 0.00 WT1 H ATOM 19267 OH2 TIP3 6515 87.596 66.474 21.106 1.00 0.00 WT1 O ATOM 19268 H1 TIP3 6515 87.084 66.766 21.860 1.00 0.00 WT1 H ATOM 19269 H2 TIP3 6515 86.971 66.463 20.381 1.00 0.00 WT1 H ATOM 19270 OH2 TIP3 6516 59.607 66.730 52.015 1.00 0.00 WT1 O ATOM 19271 H1 TIP3 6516 59.436 66.556 51.090 1.00 0.00 WT1 H ATOM 19272 H2 TIP3 6516 58.813 67.164 52.328 1.00 0.00 WT1 H ATOM 19273 OH2 TIP3 6518 48.098 12.782 35.177 1.00 0.00 WT1 O ATOM 19274 H1 TIP3 6518 48.195 12.666 34.231 1.00 0.00 WT1 H ATOM 19275 H2 TIP3 6518 47.557 12.043 35.455 1.00 0.00 WT1 H ATOM 19276 OH2 TIP3 6519 39.858 37.891 8.198 1.00 0.00 WT1 O ATOM 19277 H1 TIP3 6519 40.800 37.726 8.240 1.00 0.00 WT1 H ATOM 19278 H2 TIP3 6519 39.609 38.086 9.102 1.00 0.00 WT1 H ATOM 19279 OH2 TIP3 6521 82.699 34.163 12.776 1.00 0.00 WT1 O ATOM 19280 H1 TIP3 6521 82.949 35.064 12.570 1.00 0.00 WT1 H ATOM 19281 H2 TIP3 6521 82.697 33.715 11.930 1.00 0.00 WT1 H ATOM 19282 OH2 TIP3 6522 69.324 54.696 52.657 1.00 0.00 WT1 O ATOM 19283 H1 TIP3 6522 69.457 54.339 51.779 1.00 0.00 WT1 H ATOM 19284 H2 TIP3 6522 70.193 54.991 52.931 1.00 0.00 WT1 H ATOM 19285 OH2 TIP3 6524 78.983 44.283 -1.493 1.00 0.00 WT1 O ATOM 19286 H1 TIP3 6524 78.071 44.509 -1.310 1.00 0.00 WT1 H ATOM 19287 H2 TIP3 6524 79.493 44.905 -0.974 1.00 0.00 WT1 H ATOM 19288 OH2 TIP3 6527 44.390 57.480 60.577 1.00 0.00 WT1 O ATOM 19289 H1 TIP3 6527 44.166 58.402 60.449 1.00 0.00 WT1 H ATOM 19290 H2 TIP3 6527 45.138 57.496 61.174 1.00 0.00 WT1 H ATOM 19291 OH2 TIP3 6530 51.033 31.342 53.752 1.00 0.00 WT1 O ATOM 19292 H1 TIP3 6530 50.178 30.950 53.573 1.00 0.00 WT1 H ATOM 19293 H2 TIP3 6530 51.650 30.814 53.245 1.00 0.00 WT1 H ATOM 19294 OH2 TIP3 6531 28.791 90.855 24.240 1.00 0.00 WT1 O ATOM 19295 H1 TIP3 6531 28.607 89.916 24.239 1.00 0.00 WT1 H ATOM 19296 H2 TIP3 6531 29.595 90.942 24.753 1.00 0.00 WT1 H ATOM 19297 OH2 TIP3 6532 41.446 53.435 -9.633 1.00 0.00 WT1 O ATOM 19298 H1 TIP3 6532 41.087 53.722 -8.793 1.00 0.00 WT1 H ATOM 19299 H2 TIP3 6532 41.176 54.112 -10.253 1.00 0.00 WT1 H ATOM 19300 OH2 TIP3 6533 36.768 78.844 -2.202 1.00 0.00 WT1 O ATOM 19301 H1 TIP3 6533 37.592 78.554 -2.593 1.00 0.00 WT1 H ATOM 19302 H2 TIP3 6533 36.631 78.252 -1.463 1.00 0.00 WT1 H ATOM 19303 OH2 TIP3 6534 46.059 60.244 14.256 1.00 0.00 WT1 O ATOM 19304 H1 TIP3 6534 45.746 61.132 14.427 1.00 0.00 WT1 H ATOM 19305 H2 TIP3 6534 46.946 60.228 14.617 1.00 0.00 WT1 H ATOM 19306 OH2 TIP3 6535 25.105 47.651 24.368 1.00 0.00 WT1 O ATOM 19307 H1 TIP3 6535 25.909 47.730 23.854 1.00 0.00 WT1 H ATOM 19308 H2 TIP3 6535 25.206 46.827 24.845 1.00 0.00 WT1 H ATOM 19309 OH2 TIP3 6536 78.077 14.526 -14.424 1.00 0.00 WT1 O ATOM 19310 H1 TIP3 6536 77.326 14.206 -14.923 1.00 0.00 WT1 H ATOM 19311 H2 TIP3 6536 77.797 14.476 -13.510 1.00 0.00 WT1 H ATOM 19312 OH2 TIP3 6537 46.150 72.062 53.026 1.00 0.00 WT1 O ATOM 19313 H1 TIP3 6537 45.614 71.949 52.241 1.00 0.00 WT1 H ATOM 19314 H2 TIP3 6537 45.532 72.343 53.701 1.00 0.00 WT1 H ATOM 19315 OH2 TIP3 6540 26.472 42.656 17.744 1.00 0.00 WT1 O ATOM 19316 H1 TIP3 6540 25.588 42.604 18.108 1.00 0.00 WT1 H ATOM 19317 H2 TIP3 6540 26.397 43.276 17.018 1.00 0.00 WT1 H ATOM 19318 OH2 TIP3 6541 55.761 47.865 24.163 1.00 0.00 WT1 O ATOM 19319 H1 TIP3 6541 54.950 47.379 24.313 1.00 0.00 WT1 H ATOM 19320 H2 TIP3 6541 55.698 48.164 23.256 1.00 0.00 WT1 H ATOM 19321 OH2 TIP3 6543 81.756 38.872 49.006 1.00 0.00 WT1 O ATOM 19322 H1 TIP3 6543 81.888 39.232 49.883 1.00 0.00 WT1 H ATOM 19323 H2 TIP3 6543 81.982 39.590 48.415 1.00 0.00 WT1 H ATOM 19324 OH2 TIP3 6544 66.478 63.978 10.449 1.00 0.00 WT1 O ATOM 19325 H1 TIP3 6544 66.376 63.460 11.247 1.00 0.00 WT1 H ATOM 19326 H2 TIP3 6544 65.646 63.873 9.987 1.00 0.00 WT1 H ATOM 19327 OH2 TIP3 6546 79.238 75.312 24.163 1.00 0.00 WT1 O ATOM 19328 H1 TIP3 6546 79.497 74.490 23.746 1.00 0.00 WT1 H ATOM 19329 H2 TIP3 6546 79.371 75.158 25.099 1.00 0.00 WT1 H ATOM 19330 OH2 TIP3 6547 37.526 40.357 42.071 1.00 0.00 WT1 O ATOM 19331 H1 TIP3 6547 38.193 40.874 42.524 1.00 0.00 WT1 H ATOM 19332 H2 TIP3 6547 37.750 40.436 41.144 1.00 0.00 WT1 H ATOM 19333 OH2 TIP3 6548 67.033 86.063 18.010 1.00 0.00 WT1 O ATOM 19334 H1 TIP3 6548 66.842 86.419 17.142 1.00 0.00 WT1 H ATOM 19335 H2 TIP3 6548 66.313 85.457 18.184 1.00 0.00 WT1 H ATOM 19336 OH2 TIP3 6549 55.878 41.893 -17.407 1.00 0.00 WT1 O ATOM 19337 H1 TIP3 6549 56.812 41.903 -17.199 1.00 0.00 WT1 H ATOM 19338 H2 TIP3 6549 55.677 42.796 -17.652 1.00 0.00 WT1 H ATOM 19339 OH2 TIP3 6551 63.578 26.681 27.871 1.00 0.00 WT1 O ATOM 19340 H1 TIP3 6551 62.755 26.699 27.383 1.00 0.00 WT1 H ATOM 19341 H2 TIP3 6551 63.988 27.525 27.683 1.00 0.00 WT1 H ATOM 19342 OH2 TIP3 6552 81.354 43.649 2.618 1.00 0.00 WT1 O ATOM 19343 H1 TIP3 6552 81.627 43.592 3.534 1.00 0.00 WT1 H ATOM 19344 H2 TIP3 6552 80.493 43.231 2.598 1.00 0.00 WT1 H ATOM 19345 OH2 TIP3 6553 38.971 55.859 28.816 1.00 0.00 WT1 O ATOM 19346 H1 TIP3 6553 39.796 56.011 28.354 1.00 0.00 WT1 H ATOM 19347 H2 TIP3 6553 38.908 56.583 29.439 1.00 0.00 WT1 H ATOM 19348 OH2 TIP3 6555 53.535 4.226 56.198 1.00 0.00 WT1 O ATOM 19349 H1 TIP3 6555 52.681 3.798 56.145 1.00 0.00 WT1 H ATOM 19350 H2 TIP3 6555 53.434 5.030 55.688 1.00 0.00 WT1 H ATOM 19351 OH2 TIP3 6556 55.661 17.939 49.565 1.00 0.00 WT1 O ATOM 19352 H1 TIP3 6556 55.699 17.076 49.152 1.00 0.00 WT1 H ATOM 19353 H2 TIP3 6556 55.329 17.768 50.447 1.00 0.00 WT1 H ATOM 19354 OH2 TIP3 6558 33.908 62.061 -15.248 1.00 0.00 WT1 O ATOM 19355 H1 TIP3 6558 33.880 61.663 -14.379 1.00 0.00 WT1 H ATOM 19356 H2 TIP3 6558 34.832 62.028 -15.498 1.00 0.00 WT1 H ATOM 19357 OH2 TIP3 6559 28.565 56.549 31.418 1.00 0.00 WT1 O ATOM 19358 H1 TIP3 6559 29.362 56.019 31.431 1.00 0.00 WT1 H ATOM 19359 H2 TIP3 6559 27.854 55.916 31.520 1.00 0.00 WT1 H ATOM 19360 OH2 TIP3 6560 26.567 86.537 13.138 1.00 0.00 WT1 O ATOM 19361 H1 TIP3 6560 26.815 87.128 13.849 1.00 0.00 WT1 H ATOM 19362 H2 TIP3 6560 27.045 85.728 13.321 1.00 0.00 WT1 H ATOM 19363 OH2 TIP3 6561 21.599 59.316 49.095 1.00 0.00 WT1 O ATOM 19364 H1 TIP3 6561 22.240 59.671 48.479 1.00 0.00 WT1 H ATOM 19365 H2 TIP3 6561 21.018 60.052 49.287 1.00 0.00 WT1 H ATOM 19366 OH2 TIP3 6564 72.054 82.671 19.239 1.00 0.00 WT1 O ATOM 19367 H1 TIP3 6564 71.922 81.766 18.957 1.00 0.00 WT1 H ATOM 19368 H2 TIP3 6564 71.181 83.062 19.208 1.00 0.00 WT1 H ATOM 19369 OH2 TIP3 6565 52.567 52.014 16.702 1.00 0.00 WT1 O ATOM 19370 H1 TIP3 6565 52.825 51.396 17.385 1.00 0.00 WT1 H ATOM 19371 H2 TIP3 6565 51.943 51.528 16.162 1.00 0.00 WT1 H ATOM 19372 OH2 TIP3 6566 54.097 71.710 9.546 1.00 0.00 WT1 O ATOM 19373 H1 TIP3 6566 54.181 72.109 10.412 1.00 0.00 WT1 H ATOM 19374 H2 TIP3 6566 54.455 70.828 9.653 1.00 0.00 WT1 H ATOM 19375 OH2 TIP3 6569 75.804 69.848 36.886 1.00 0.00 WT1 O ATOM 19376 H1 TIP3 6569 76.400 70.175 36.212 1.00 0.00 WT1 H ATOM 19377 H2 TIP3 6569 74.931 69.958 36.508 1.00 0.00 WT1 H ATOM 19378 OH2 TIP3 6570 54.651 39.153 66.059 1.00 0.00 WT1 O ATOM 19379 H1 TIP3 6570 55.589 39.274 65.916 1.00 0.00 WT1 H ATOM 19380 H2 TIP3 6570 54.261 39.246 65.190 1.00 0.00 WT1 H ATOM 19381 OH2 TIP3 6571 87.900 26.205 62.650 1.00 0.00 WT1 O ATOM 19382 H1 TIP3 6571 88.628 25.809 63.128 1.00 0.00 WT1 H ATOM 19383 H2 TIP3 6571 87.229 25.522 62.627 1.00 0.00 WT1 H ATOM 19384 OH2 TIP3 6573 87.687 45.685 5.981 1.00 0.00 WT1 O ATOM 19385 H1 TIP3 6573 87.764 46.592 6.275 1.00 0.00 WT1 H ATOM 19386 H2 TIP3 6573 88.477 45.533 5.462 1.00 0.00 WT1 H ATOM 19387 OH2 TIP3 6574 83.818 79.056 -2.268 1.00 0.00 WT1 O ATOM 19388 H1 TIP3 6574 82.911 78.748 -2.264 1.00 0.00 WT1 H ATOM 19389 H2 TIP3 6574 84.291 78.402 -2.782 1.00 0.00 WT1 H ATOM 19390 OH2 TIP3 6575 39.861 79.742 52.889 1.00 0.00 WT1 O ATOM 19391 H1 TIP3 6575 39.215 80.273 52.424 1.00 0.00 WT1 H ATOM 19392 H2 TIP3 6575 40.257 79.196 52.210 1.00 0.00 WT1 H ATOM 19393 OH2 TIP3 6576 30.617 44.441 1.178 1.00 0.00 WT1 O ATOM 19394 H1 TIP3 6576 30.051 44.048 0.514 1.00 0.00 WT1 H ATOM 19395 H2 TIP3 6576 31.139 43.711 1.510 1.00 0.00 WT1 H ATOM 19396 OH2 TIP3 6577 87.866 72.527 29.009 1.00 0.00 WT1 O ATOM 19397 H1 TIP3 6577 88.155 71.669 29.320 1.00 0.00 WT1 H ATOM 19398 H2 TIP3 6577 88.568 73.124 29.268 1.00 0.00 WT1 H ATOM 19399 OH2 TIP3 6578 22.909 59.211 7.275 1.00 0.00 WT1 O ATOM 19400 H1 TIP3 6578 23.091 58.793 8.117 1.00 0.00 WT1 H ATOM 19401 H2 TIP3 6578 23.647 59.805 7.137 1.00 0.00 WT1 H ATOM 19402 OH2 TIP3 6579 58.035 94.801 58.058 1.00 0.00 WT1 O ATOM 19403 H1 TIP3 6579 57.277 94.240 58.227 1.00 0.00 WT1 H ATOM 19404 H2 TIP3 6579 58.358 94.517 57.203 1.00 0.00 WT1 H ATOM 19405 OH2 TIP3 6580 29.672 53.474 61.444 1.00 0.00 WT1 O ATOM 19406 H1 TIP3 6580 29.638 52.683 61.983 1.00 0.00 WT1 H ATOM 19407 H2 TIP3 6580 28.842 53.918 61.616 1.00 0.00 WT1 H ATOM 19408 OH2 TIP3 6581 30.813 42.252 26.743 1.00 0.00 WT1 O ATOM 19409 H1 TIP3 6581 31.346 42.730 27.378 1.00 0.00 WT1 H ATOM 19410 H2 TIP3 6581 31.415 42.052 26.027 1.00 0.00 WT1 H ATOM 19411 OH2 TIP3 6583 68.628 42.280 -14.340 1.00 0.00 WT1 O ATOM 19412 H1 TIP3 6583 68.266 41.628 -14.940 1.00 0.00 WT1 H ATOM 19413 H2 TIP3 6583 69.017 42.942 -14.912 1.00 0.00 WT1 H ATOM 19414 OH2 TIP3 6584 24.222 46.004 7.278 1.00 0.00 WT1 O ATOM 19415 H1 TIP3 6584 24.701 46.021 8.106 1.00 0.00 WT1 H ATOM 19416 H2 TIP3 6584 23.310 46.155 7.526 1.00 0.00 WT1 H ATOM 19417 OH2 TIP3 6585 49.689 78.540 16.392 1.00 0.00 WT1 O ATOM 19418 H1 TIP3 6585 50.001 79.107 17.098 1.00 0.00 WT1 H ATOM 19419 H2 TIP3 6585 48.747 78.464 16.545 1.00 0.00 WT1 H ATOM 19420 OH2 TIP3 6586 75.439 65.523 -7.796 1.00 0.00 WT1 O ATOM 19421 H1 TIP3 6586 76.134 65.163 -7.245 1.00 0.00 WT1 H ATOM 19422 H2 TIP3 6586 74.743 65.755 -7.182 1.00 0.00 WT1 H ATOM 19423 OH2 TIP3 6587 42.830 51.620 -11.023 1.00 0.00 WT1 O ATOM 19424 H1 TIP3 6587 43.380 52.018 -11.699 1.00 0.00 WT1 H ATOM 19425 H2 TIP3 6587 42.610 52.344 -10.437 1.00 0.00 WT1 H ATOM 19426 OH2 TIP3 6589 71.566 66.373 53.426 1.00 0.00 WT1 O ATOM 19427 H1 TIP3 6589 70.787 66.108 52.937 1.00 0.00 WT1 H ATOM 19428 H2 TIP3 6589 71.941 67.086 52.910 1.00 0.00 WT1 H ATOM 19429 OH2 TIP3 6590 87.800 60.173 59.464 1.00 0.00 WT1 O ATOM 19430 H1 TIP3 6590 88.365 60.804 59.017 1.00 0.00 WT1 H ATOM 19431 H2 TIP3 6590 88.403 59.516 59.813 1.00 0.00 WT1 H ATOM 19432 OH2 TIP3 6592 58.337 92.024 37.838 1.00 0.00 WT1 O ATOM 19433 H1 TIP3 6592 58.926 92.260 38.555 1.00 0.00 WT1 H ATOM 19434 H2 TIP3 6592 58.897 91.575 37.204 1.00 0.00 WT1 H ATOM 19435 OH2 TIP3 6594 43.253 90.286 35.501 1.00 0.00 WT1 O ATOM 19436 H1 TIP3 6594 42.467 89.777 35.307 1.00 0.00 WT1 H ATOM 19437 H2 TIP3 6594 42.931 91.173 35.661 1.00 0.00 WT1 H ATOM 19438 OH2 TIP3 6595 68.731 0.354 21.371 1.00 0.00 WT1 O ATOM 19439 H1 TIP3 6595 69.432 0.741 20.848 1.00 0.00 WT1 H ATOM 19440 H2 TIP3 6595 68.248 1.105 21.718 1.00 0.00 WT1 H ATOM 19441 OH2 TIP3 6596 54.066 22.893 56.216 1.00 0.00 WT1 O ATOM 19442 H1 TIP3 6596 53.572 22.911 55.396 1.00 0.00 WT1 H ATOM 19443 H2 TIP3 6596 54.984 22.894 55.943 1.00 0.00 WT1 H ATOM 19444 OH2 TIP3 6597 71.175 5.131 -5.291 1.00 0.00 WT1 O ATOM 19445 H1 TIP3 6597 71.430 4.902 -6.185 1.00 0.00 WT1 H ATOM 19446 H2 TIP3 6597 70.794 6.006 -5.367 1.00 0.00 WT1 H ATOM 19447 OH2 TIP3 6598 46.403 67.153 60.892 1.00 0.00 WT1 O ATOM 19448 H1 TIP3 6598 46.689 66.251 60.748 1.00 0.00 WT1 H ATOM 19449 H2 TIP3 6598 46.182 67.477 60.018 1.00 0.00 WT1 H ATOM 19450 OH2 TIP3 6600 44.929 57.310 -7.155 1.00 0.00 WT1 O ATOM 19451 H1 TIP3 6600 44.573 57.057 -6.303 1.00 0.00 WT1 H ATOM 19452 H2 TIP3 6600 44.994 58.265 -7.114 1.00 0.00 WT1 H ATOM 19453 OH2 TIP3 6601 51.744 22.040 -17.382 1.00 0.00 WT1 O ATOM 19454 H1 TIP3 6601 52.288 21.254 -17.328 1.00 0.00 WT1 H ATOM 19455 H2 TIP3 6601 51.725 22.254 -18.315 1.00 0.00 WT1 H ATOM 19456 OH2 TIP3 6602 87.620 77.681 -2.450 1.00 0.00 WT1 O ATOM 19457 H1 TIP3 6602 87.483 78.086 -1.594 1.00 0.00 WT1 H ATOM 19458 H2 TIP3 6602 87.339 76.773 -2.334 1.00 0.00 WT1 H ATOM 19459 OH2 TIP3 6603 56.683 68.603 -0.725 1.00 0.00 WT1 O ATOM 19460 H1 TIP3 6603 56.496 68.512 0.210 1.00 0.00 WT1 H ATOM 19461 H2 TIP3 6603 56.915 67.719 -1.010 1.00 0.00 WT1 H ATOM 19462 OH2 TIP3 6604 49.221 2.858 14.804 1.00 0.00 WT1 O ATOM 19463 H1 TIP3 6604 49.256 3.809 14.703 1.00 0.00 WT1 H ATOM 19464 H2 TIP3 6604 49.412 2.708 15.730 1.00 0.00 WT1 H ATOM 19465 OH2 TIP3 6606 76.116 53.567 43.775 1.00 0.00 WT1 O ATOM 19466 H1 TIP3 6606 75.556 53.286 43.051 1.00 0.00 WT1 H ATOM 19467 H2 TIP3 6606 76.288 54.492 43.601 1.00 0.00 WT1 H ATOM 19468 OH2 TIP3 6607 55.221 64.036 23.199 1.00 0.00 WT1 O ATOM 19469 H1 TIP3 6607 56.159 63.940 23.033 1.00 0.00 WT1 H ATOM 19470 H2 TIP3 6607 54.820 63.295 22.746 1.00 0.00 WT1 H ATOM 19471 OH2 TIP3 6608 74.527 43.611 35.022 1.00 0.00 WT1 O ATOM 19472 H1 TIP3 6608 73.693 43.660 34.556 1.00 0.00 WT1 H ATOM 19473 H2 TIP3 6608 74.315 43.866 35.920 1.00 0.00 WT1 H ATOM 19474 OH2 TIP3 6609 58.595 58.697 28.046 1.00 0.00 WT1 O ATOM 19475 H1 TIP3 6609 57.724 58.540 27.680 1.00 0.00 WT1 H ATOM 19476 H2 TIP3 6609 58.862 57.849 28.401 1.00 0.00 WT1 H ATOM 19477 OH2 TIP3 6610 36.954 47.980 22.641 1.00 0.00 WT1 O ATOM 19478 H1 TIP3 6610 36.988 48.482 23.455 1.00 0.00 WT1 H ATOM 19479 H2 TIP3 6610 36.163 47.448 22.721 1.00 0.00 WT1 H ATOM 19480 OH2 TIP3 6611 63.785 66.227 39.312 1.00 0.00 WT1 O ATOM 19481 H1 TIP3 6611 64.205 66.629 40.073 1.00 0.00 WT1 H ATOM 19482 H2 TIP3 6611 62.906 66.001 39.616 1.00 0.00 WT1 H ATOM 19483 OH2 TIP3 6613 73.118 3.528 31.787 1.00 0.00 WT1 O ATOM 19484 H1 TIP3 6613 72.753 3.904 32.589 1.00 0.00 WT1 H ATOM 19485 H2 TIP3 6613 72.408 3.591 31.148 1.00 0.00 WT1 H ATOM 19486 OH2 TIP3 6614 41.143 61.353 66.070 1.00 0.00 WT1 O ATOM 19487 H1 TIP3 6614 40.326 61.121 66.512 1.00 0.00 WT1 H ATOM 19488 H2 TIP3 6614 41.631 61.860 66.720 1.00 0.00 WT1 H ATOM 19489 OH2 TIP3 6615 36.482 26.535 60.928 1.00 0.00 WT1 O ATOM 19490 H1 TIP3 6615 35.925 25.915 61.399 1.00 0.00 WT1 H ATOM 19491 H2 TIP3 6615 37.314 26.074 60.819 1.00 0.00 WT1 H ATOM 19492 OH2 TIP3 6616 47.611 18.763 23.973 1.00 0.00 WT1 O ATOM 19493 H1 TIP3 6616 48.030 19.580 24.241 1.00 0.00 WT1 H ATOM 19494 H2 TIP3 6616 47.028 19.015 23.258 1.00 0.00 WT1 H ATOM 19495 OH2 TIP3 6618 73.523 73.084 -7.273 1.00 0.00 WT1 O ATOM 19496 H1 TIP3 6618 72.707 73.410 -7.653 1.00 0.00 WT1 H ATOM 19497 H2 TIP3 6618 73.433 73.250 -6.334 1.00 0.00 WT1 H ATOM 19498 OH2 TIP3 6620 76.387 85.964 59.663 1.00 0.00 WT1 O ATOM 19499 H1 TIP3 6620 77.280 85.670 59.840 1.00 0.00 WT1 H ATOM 19500 H2 TIP3 6620 76.062 85.358 58.996 1.00 0.00 WT1 H ATOM 19501 OH2 TIP3 6621 60.200 13.252 57.536 1.00 0.00 WT1 O ATOM 19502 H1 TIP3 6621 60.771 12.767 56.940 1.00 0.00 WT1 H ATOM 19503 H2 TIP3 6621 60.700 13.311 58.351 1.00 0.00 WT1 H ATOM 19504 OH2 TIP3 6622 90.900 95.196 0.164 1.00 0.00 WT1 O ATOM 19505 H1 TIP3 6622 90.227 94.518 0.211 1.00 0.00 WT1 H ATOM 19506 H2 TIP3 6622 90.486 95.973 0.540 1.00 0.00 WT1 H ATOM 19507 OH2 TIP3 6623 88.999 27.481 14.316 1.00 0.00 WT1 O ATOM 19508 H1 TIP3 6623 89.364 27.999 13.598 1.00 0.00 WT1 H ATOM 19509 H2 TIP3 6623 88.058 27.651 14.279 1.00 0.00 WT1 H ATOM 19510 OH2 TIP3 6625 79.899 37.360 12.429 1.00 0.00 WT1 O ATOM 19511 H1 TIP3 6625 79.915 36.409 12.537 1.00 0.00 WT1 H ATOM 19512 H2 TIP3 6625 79.071 37.633 12.825 1.00 0.00 WT1 H ATOM 19513 OH2 TIP3 6626 47.798 51.631 18.625 1.00 0.00 WT1 O ATOM 19514 H1 TIP3 6626 48.731 51.467 18.764 1.00 0.00 WT1 H ATOM 19515 H2 TIP3 6626 47.772 52.316 17.957 1.00 0.00 WT1 H ATOM 19516 OH2 TIP3 6627 45.787 54.814 -19.191 1.00 0.00 WT1 O ATOM 19517 H1 TIP3 6627 45.641 54.267 -18.419 1.00 0.00 WT1 H ATOM 19518 H2 TIP3 6627 46.228 55.593 -18.853 1.00 0.00 WT1 H ATOM 19519 OH2 TIP3 6628 68.424 38.872 26.056 1.00 0.00 WT1 O ATOM 19520 H1 TIP3 6628 68.080 39.445 25.371 1.00 0.00 WT1 H ATOM 19521 H2 TIP3 6628 68.568 39.452 26.804 1.00 0.00 WT1 H ATOM 19522 OH2 TIP3 6629 71.504 64.744 22.905 1.00 0.00 WT1 O ATOM 19523 H1 TIP3 6629 70.697 65.076 22.511 1.00 0.00 WT1 H ATOM 19524 H2 TIP3 6629 71.590 63.854 22.563 1.00 0.00 WT1 H ATOM 19525 OH2 TIP3 6630 90.976 24.851 61.351 1.00 0.00 WT1 O ATOM 19526 H1 TIP3 6630 90.207 24.701 60.801 1.00 0.00 WT1 H ATOM 19527 H2 TIP3 6630 90.654 24.756 62.247 1.00 0.00 WT1 H ATOM 19528 OH2 TIP3 6631 51.078 60.763 12.884 1.00 0.00 WT1 O ATOM 19529 H1 TIP3 6631 50.852 60.926 13.800 1.00 0.00 WT1 H ATOM 19530 H2 TIP3 6631 51.999 60.504 12.907 1.00 0.00 WT1 H ATOM 19531 OH2 TIP3 6632 43.305 3.272 25.965 1.00 0.00 WT1 O ATOM 19532 H1 TIP3 6632 43.484 2.755 26.751 1.00 0.00 WT1 H ATOM 19533 H2 TIP3 6632 43.375 4.181 26.255 1.00 0.00 WT1 H ATOM 19534 OH2 TIP3 6633 80.437 68.774 -6.532 1.00 0.00 WT1 O ATOM 19535 H1 TIP3 6633 80.484 69.437 -7.221 1.00 0.00 WT1 H ATOM 19536 H2 TIP3 6633 79.657 68.262 -6.745 1.00 0.00 WT1 H ATOM 19537 OH2 TIP3 6634 89.896 78.975 59.827 1.00 0.00 WT1 O ATOM 19538 H1 TIP3 6634 89.672 79.123 58.908 1.00 0.00 WT1 H ATOM 19539 H2 TIP3 6634 90.827 78.752 59.814 1.00 0.00 WT1 H ATOM 19540 OH2 TIP3 6635 31.004 30.928 40.041 1.00 0.00 WT1 O ATOM 19541 H1 TIP3 6635 30.281 31.435 40.410 1.00 0.00 WT1 H ATOM 19542 H2 TIP3 6635 31.730 31.550 39.987 1.00 0.00 WT1 H ATOM 19543 OH2 TIP3 6636 81.041 28.714 -4.172 1.00 0.00 WT1 O ATOM 19544 H1 TIP3 6636 81.515 28.723 -3.341 1.00 0.00 WT1 H ATOM 19545 H2 TIP3 6636 81.704 28.490 -4.825 1.00 0.00 WT1 H ATOM 19546 OH2 TIP3 6637 43.757 16.834 -15.737 1.00 0.00 WT1 O ATOM 19547 H1 TIP3 6637 44.157 16.735 -16.601 1.00 0.00 WT1 H ATOM 19548 H2 TIP3 6637 44.360 16.391 -15.140 1.00 0.00 WT1 H ATOM 19549 OH2 TIP3 6638 52.120 31.523 56.284 1.00 0.00 WT1 O ATOM 19550 H1 TIP3 6638 52.984 31.389 55.894 1.00 0.00 WT1 H ATOM 19551 H2 TIP3 6638 51.529 31.608 55.536 1.00 0.00 WT1 H ATOM 19552 OH2 TIP3 6639 52.654 26.436 40.932 1.00 0.00 WT1 O ATOM 19553 H1 TIP3 6639 52.526 25.765 41.603 1.00 0.00 WT1 H ATOM 19554 H2 TIP3 6639 53.603 26.556 40.892 1.00 0.00 WT1 H ATOM 19555 OH2 TIP3 6640 49.615 74.200 64.821 1.00 0.00 WT1 O ATOM 19556 H1 TIP3 6640 50.392 73.655 64.696 1.00 0.00 WT1 H ATOM 19557 H2 TIP3 6640 49.408 74.527 63.946 1.00 0.00 WT1 H ATOM 19558 OH2 TIP3 6641 77.902 0.801 9.138 1.00 0.00 WT1 O ATOM 19559 H1 TIP3 6641 78.715 0.810 8.634 1.00 0.00 WT1 H ATOM 19560 H2 TIP3 6641 77.939 1.598 9.667 1.00 0.00 WT1 H ATOM 19561 OH2 TIP3 6642 89.005 2.470 4.950 1.00 0.00 WT1 O ATOM 19562 H1 TIP3 6642 88.471 2.714 4.194 1.00 0.00 WT1 H ATOM 19563 H2 TIP3 6642 89.302 3.304 5.313 1.00 0.00 WT1 H ATOM 19564 OH2 TIP3 6643 86.779 56.458 2.398 1.00 0.00 WT1 O ATOM 19565 H1 TIP3 6643 87.665 56.814 2.324 1.00 0.00 WT1 H ATOM 19566 H2 TIP3 6643 86.291 57.128 2.876 1.00 0.00 WT1 H ATOM 19567 OH2 TIP3 6644 86.142 90.388 44.974 1.00 0.00 WT1 O ATOM 19568 H1 TIP3 6644 85.585 91.163 44.905 1.00 0.00 WT1 H ATOM 19569 H2 TIP3 6644 85.540 89.681 45.208 1.00 0.00 WT1 H ATOM 19570 OH2 TIP3 6645 26.904 67.918 22.965 1.00 0.00 WT1 O ATOM 19571 H1 TIP3 6645 26.489 67.103 22.681 1.00 0.00 WT1 H ATOM 19572 H2 TIP3 6645 27.538 67.646 23.628 1.00 0.00 WT1 H ATOM 19573 OH2 TIP3 6647 31.738 50.834 7.191 1.00 0.00 WT1 O ATOM 19574 H1 TIP3 6647 31.551 51.254 8.030 1.00 0.00 WT1 H ATOM 19575 H2 TIP3 6647 32.249 50.058 7.419 1.00 0.00 WT1 H ATOM 19576 OH2 TIP3 6648 50.759 41.173 58.026 1.00 0.00 WT1 O ATOM 19577 H1 TIP3 6648 51.700 41.031 57.917 1.00 0.00 WT1 H ATOM 19578 H2 TIP3 6648 50.697 41.925 58.615 1.00 0.00 WT1 H ATOM 19579 OH2 TIP3 6649 62.212 43.440 -18.097 1.00 0.00 WT1 O ATOM 19580 H1 TIP3 6649 61.708 43.708 -17.328 1.00 0.00 WT1 H ATOM 19581 H2 TIP3 6649 62.276 44.232 -18.630 1.00 0.00 WT1 H ATOM 19582 OH2 TIP3 6650 34.006 93.836 30.400 1.00 0.00 WT1 O ATOM 19583 H1 TIP3 6650 33.807 94.626 29.899 1.00 0.00 WT1 H ATOM 19584 H2 TIP3 6650 33.483 93.918 31.197 1.00 0.00 WT1 H ATOM 19585 OH2 TIP3 6651 84.217 63.600 7.094 1.00 0.00 WT1 O ATOM 19586 H1 TIP3 6651 83.879 63.013 6.418 1.00 0.00 WT1 H ATOM 19587 H2 TIP3 6651 84.129 63.105 7.908 1.00 0.00 WT1 H ATOM 19588 OH2 TIP3 6652 34.953 88.093 50.279 1.00 0.00 WT1 O ATOM 19589 H1 TIP3 6652 34.334 87.919 50.988 1.00 0.00 WT1 H ATOM 19590 H2 TIP3 6652 34.616 88.882 49.854 1.00 0.00 WT1 H ATOM 19591 OH2 TIP3 6653 34.732 73.669 62.297 1.00 0.00 WT1 O ATOM 19592 H1 TIP3 6653 35.357 73.321 61.661 1.00 0.00 WT1 H ATOM 19593 H2 TIP3 6653 34.037 73.012 62.336 1.00 0.00 WT1 H ATOM 19594 OH2 TIP3 6654 56.593 42.116 -6.786 1.00 0.00 WT1 O ATOM 19595 H1 TIP3 6654 57.500 42.354 -6.980 1.00 0.00 WT1 H ATOM 19596 H2 TIP3 6654 56.519 42.208 -5.836 1.00 0.00 WT1 H ATOM 19597 OH2 TIP3 6655 71.977 19.363 63.457 1.00 0.00 WT1 O ATOM 19598 H1 TIP3 6655 72.887 19.400 63.161 1.00 0.00 WT1 H ATOM 19599 H2 TIP3 6655 71.506 18.950 62.734 1.00 0.00 WT1 H ATOM 19600 OH2 TIP3 6656 38.414 16.600 5.573 1.00 0.00 WT1 O ATOM 19601 H1 TIP3 6656 38.183 16.981 4.726 1.00 0.00 WT1 H ATOM 19602 H2 TIP3 6656 38.085 17.227 6.216 1.00 0.00 WT1 H ATOM 19603 OH2 TIP3 6657 72.844 44.655 12.516 1.00 0.00 WT1 O ATOM 19604 H1 TIP3 6657 73.469 43.941 12.394 1.00 0.00 WT1 H ATOM 19605 H2 TIP3 6657 71.989 44.256 12.356 1.00 0.00 WT1 H ATOM 19606 OH2 TIP3 6658 30.803 86.803 -3.111 1.00 0.00 WT1 O ATOM 19607 H1 TIP3 6658 31.370 87.134 -3.807 1.00 0.00 WT1 H ATOM 19608 H2 TIP3 6658 31.031 87.329 -2.345 1.00 0.00 WT1 H ATOM 19609 OH2 TIP3 6659 26.183 0.236 28.468 1.00 0.00 WT1 O ATOM 19610 H1 TIP3 6659 25.684 0.833 29.026 1.00 0.00 WT1 H ATOM 19611 H2 TIP3 6659 27.095 0.500 28.589 1.00 0.00 WT1 H ATOM 19612 OH2 TIP3 6660 90.094 19.327 -13.390 1.00 0.00 WT1 O ATOM 19613 H1 TIP3 6660 89.960 20.178 -13.807 1.00 0.00 WT1 H ATOM 19614 H2 TIP3 6660 89.241 19.104 -13.019 1.00 0.00 WT1 H ATOM 19615 OH2 TIP3 6661 33.125 64.715 18.134 1.00 0.00 WT1 O ATOM 19616 H1 TIP3 6661 33.121 63.763 18.234 1.00 0.00 WT1 H ATOM 19617 H2 TIP3 6661 34.041 64.965 18.253 1.00 0.00 WT1 H ATOM 19618 OH2 TIP3 6662 28.998 87.408 64.917 1.00 0.00 WT1 O ATOM 19619 H1 TIP3 6662 28.849 87.706 64.020 1.00 0.00 WT1 H ATOM 19620 H2 TIP3 6662 29.682 86.742 64.838 1.00 0.00 WT1 H ATOM 19621 OH2 TIP3 6663 41.871 92.116 29.009 1.00 0.00 WT1 O ATOM 19622 H1 TIP3 6663 41.520 91.333 29.433 1.00 0.00 WT1 H ATOM 19623 H2 TIP3 6663 41.149 92.442 28.472 1.00 0.00 WT1 H ATOM 19624 OH2 TIP3 6664 75.779 65.055 1.497 1.00 0.00 WT1 O ATOM 19625 H1 TIP3 6664 76.095 64.152 1.502 1.00 0.00 WT1 H ATOM 19626 H2 TIP3 6664 75.180 65.096 0.752 1.00 0.00 WT1 H ATOM 19627 OH2 TIP3 6665 73.040 92.446 2.728 1.00 0.00 WT1 O ATOM 19628 H1 TIP3 6665 73.026 92.379 3.683 1.00 0.00 WT1 H ATOM 19629 H2 TIP3 6665 72.292 91.924 2.439 1.00 0.00 WT1 H ATOM 19630 OH2 TIP3 6666 71.370 77.289 14.135 1.00 0.00 WT1 O ATOM 19631 H1 TIP3 6666 71.431 76.339 14.040 1.00 0.00 WT1 H ATOM 19632 H2 TIP3 6666 71.741 77.636 13.323 1.00 0.00 WT1 H ATOM 19633 OH2 TIP3 6667 56.032 71.799 5.937 1.00 0.00 WT1 O ATOM 19634 H1 TIP3 6667 56.558 71.382 6.619 1.00 0.00 WT1 H ATOM 19635 H2 TIP3 6667 55.285 72.173 6.404 1.00 0.00 WT1 H ATOM 19636 OH2 TIP3 6668 64.052 49.592 27.625 1.00 0.00 WT1 O ATOM 19637 H1 TIP3 6668 63.459 50.297 27.364 1.00 0.00 WT1 H ATOM 19638 H2 TIP3 6668 64.401 49.254 26.800 1.00 0.00 WT1 H ATOM 19639 OH2 TIP3 6669 69.229 58.181 65.915 1.00 0.00 WT1 O ATOM 19640 H1 TIP3 6669 68.673 58.698 66.497 1.00 0.00 WT1 H ATOM 19641 H2 TIP3 6669 68.665 57.970 65.170 1.00 0.00 WT1 H ATOM 19642 OH2 TIP3 6670 85.168 58.621 25.312 1.00 0.00 WT1 O ATOM 19643 H1 TIP3 6670 85.494 58.158 24.540 1.00 0.00 WT1 H ATOM 19644 H2 TIP3 6670 85.805 58.420 25.999 1.00 0.00 WT1 H ATOM 19645 OH2 TIP3 6671 34.041 90.237 53.774 1.00 0.00 WT1 O ATOM 19646 H1 TIP3 6671 33.444 90.850 53.345 1.00 0.00 WT1 H ATOM 19647 H2 TIP3 6671 34.668 90.795 54.234 1.00 0.00 WT1 H ATOM 19648 OH2 TIP3 6672 50.642 39.161 56.220 1.00 0.00 WT1 O ATOM 19649 H1 TIP3 6672 50.793 40.093 56.375 1.00 0.00 WT1 H ATOM 19650 H2 TIP3 6672 49.720 39.027 56.438 1.00 0.00 WT1 H ATOM 19651 OH2 TIP3 6673 84.322 93.509 35.424 1.00 0.00 WT1 O ATOM 19652 H1 TIP3 6673 83.751 94.035 34.864 1.00 0.00 WT1 H ATOM 19653 H2 TIP3 6673 85.144 93.447 34.937 1.00 0.00 WT1 H ATOM 19654 OH2 TIP3 6674 71.229 83.628 61.326 1.00 0.00 WT1 O ATOM 19655 H1 TIP3 6674 71.112 83.638 62.276 1.00 0.00 WT1 H ATOM 19656 H2 TIP3 6674 71.523 84.514 61.111 1.00 0.00 WT1 H ATOM 19657 OH2 TIP3 6677 59.422 40.375 56.575 1.00 0.00 WT1 O ATOM 19658 H1 TIP3 6677 59.269 41.258 56.910 1.00 0.00 WT1 H ATOM 19659 H2 TIP3 6677 58.720 40.234 55.940 1.00 0.00 WT1 H ATOM 19660 OH2 TIP3 6678 53.445 61.587 19.948 1.00 0.00 WT1 O ATOM 19661 H1 TIP3 6678 53.188 61.549 19.027 1.00 0.00 WT1 H ATOM 19662 H2 TIP3 6678 53.330 60.692 20.267 1.00 0.00 WT1 H ATOM 19663 OH2 TIP3 6679 58.722 80.661 27.772 1.00 0.00 WT1 O ATOM 19664 H1 TIP3 6679 58.230 81.142 28.438 1.00 0.00 WT1 H ATOM 19665 H2 TIP3 6679 58.863 81.298 27.071 1.00 0.00 WT1 H ATOM 19666 OH2 TIP3 6680 58.705 13.517 54.558 1.00 0.00 WT1 O ATOM 19667 H1 TIP3 6680 59.323 14.033 54.040 1.00 0.00 WT1 H ATOM 19668 H2 TIP3 6680 59.003 12.613 54.456 1.00 0.00 WT1 H ATOM 19669 OH2 TIP3 6681 73.479 38.147 -4.928 1.00 0.00 WT1 O ATOM 19670 H1 TIP3 6681 72.808 38.279 -4.258 1.00 0.00 WT1 H ATOM 19671 H2 TIP3 6681 73.205 37.355 -5.390 1.00 0.00 WT1 H ATOM 19672 OH2 TIP3 6682 56.501 21.163 66.492 1.00 0.00 WT1 O ATOM 19673 H1 TIP3 6682 56.663 20.341 66.955 1.00 0.00 WT1 H ATOM 19674 H2 TIP3 6682 55.599 21.392 66.718 1.00 0.00 WT1 H ATOM 19675 OH2 TIP3 6683 47.688 3.812 9.390 1.00 0.00 WT1 O ATOM 19676 H1 TIP3 6683 46.972 3.336 9.811 1.00 0.00 WT1 H ATOM 19677 H2 TIP3 6683 47.700 4.663 9.827 1.00 0.00 WT1 H ATOM 19678 OH2 TIP3 6684 32.972 87.919 18.855 1.00 0.00 WT1 O ATOM 19679 H1 TIP3 6684 33.235 87.844 17.938 1.00 0.00 WT1 H ATOM 19680 H2 TIP3 6684 32.132 87.462 18.903 1.00 0.00 WT1 H ATOM 19681 OH2 TIP3 6685 41.373 6.272 25.769 1.00 0.00 WT1 O ATOM 19682 H1 TIP3 6685 41.931 6.833 25.231 1.00 0.00 WT1 H ATOM 19683 H2 TIP3 6685 40.765 5.871 25.148 1.00 0.00 WT1 H ATOM 19684 OH2 TIP3 6686 24.466 23.840 3.439 1.00 0.00 WT1 O ATOM 19685 H1 TIP3 6686 25.090 23.782 2.716 1.00 0.00 WT1 H ATOM 19686 H2 TIP3 6686 24.298 24.777 3.537 1.00 0.00 WT1 H ATOM 19687 OH2 TIP3 6687 50.030 89.536 40.756 1.00 0.00 WT1 O ATOM 19688 H1 TIP3 6687 49.477 88.762 40.647 1.00 0.00 WT1 H ATOM 19689 H2 TIP3 6687 50.684 89.463 40.061 1.00 0.00 WT1 H ATOM 19690 OH2 TIP3 6688 37.873 52.039 55.372 1.00 0.00 WT1 O ATOM 19691 H1 TIP3 6688 37.264 52.762 55.522 1.00 0.00 WT1 H ATOM 19692 H2 TIP3 6688 37.935 51.971 54.419 1.00 0.00 WT1 H ATOM 19693 OH2 TIP3 6689 28.962 1.777 -6.141 1.00 0.00 WT1 O ATOM 19694 H1 TIP3 6689 29.785 2.215 -5.924 1.00 0.00 WT1 H ATOM 19695 H2 TIP3 6689 29.044 0.907 -5.752 1.00 0.00 WT1 H ATOM 19696 OH2 TIP3 6690 25.647 20.471 44.417 1.00 0.00 WT1 O ATOM 19697 H1 TIP3 6690 25.226 20.232 43.591 1.00 0.00 WT1 H ATOM 19698 H2 TIP3 6690 25.901 21.387 44.301 1.00 0.00 WT1 H ATOM 19699 OH2 TIP3 6691 86.707 22.401 61.175 1.00 0.00 WT1 O ATOM 19700 H1 TIP3 6691 86.885 21.509 60.877 1.00 0.00 WT1 H ATOM 19701 H2 TIP3 6691 86.399 22.859 60.393 1.00 0.00 WT1 H ATOM 19702 OH2 TIP3 6692 84.789 41.449 -12.575 1.00 0.00 WT1 O ATOM 19703 H1 TIP3 6692 84.352 42.072 -11.996 1.00 0.00 WT1 H ATOM 19704 H2 TIP3 6692 84.076 41.021 -13.050 1.00 0.00 WT1 H ATOM 19705 OH2 TIP3 6693 54.554 94.520 37.316 1.00 0.00 WT1 O ATOM 19706 H1 TIP3 6693 54.091 94.087 36.599 1.00 0.00 WT1 H ATOM 19707 H2 TIP3 6693 55.164 95.116 36.881 1.00 0.00 WT1 H ATOM 19708 OH2 TIP3 6694 68.372 68.867 31.369 1.00 0.00 WT1 O ATOM 19709 H1 TIP3 6694 69.040 68.210 31.564 1.00 0.00 WT1 H ATOM 19710 H2 TIP3 6694 67.858 68.933 32.174 1.00 0.00 WT1 H ATOM 19711 OH2 TIP3 6695 38.979 7.979 33.427 1.00 0.00 WT1 O ATOM 19712 H1 TIP3 6695 39.555 8.468 32.839 1.00 0.00 WT1 H ATOM 19713 H2 TIP3 6695 38.390 8.640 33.790 1.00 0.00 WT1 H ATOM 19714 OH2 TIP3 6696 86.956 87.809 34.112 1.00 0.00 WT1 O ATOM 19715 H1 TIP3 6696 86.904 87.203 33.373 1.00 0.00 WT1 H ATOM 19716 H2 TIP3 6696 87.209 87.261 34.855 1.00 0.00 WT1 H ATOM 19717 OH2 TIP3 6697 74.777 66.691 27.227 1.00 0.00 WT1 O ATOM 19718 H1 TIP3 6697 74.465 65.800 27.065 1.00 0.00 WT1 H ATOM 19719 H2 TIP3 6697 74.090 67.093 27.758 1.00 0.00 WT1 H ATOM 19720 OH2 TIP3 6698 76.740 21.921 -14.560 1.00 0.00 WT1 O ATOM 19721 H1 TIP3 6698 77.422 21.806 -15.222 1.00 0.00 WT1 H ATOM 19722 H2 TIP3 6698 77.141 22.484 -13.897 1.00 0.00 WT1 H ATOM 19723 OH2 TIP3 6699 82.721 72.920 22.477 1.00 0.00 WT1 O ATOM 19724 H1 TIP3 6699 82.261 72.442 23.166 1.00 0.00 WT1 H ATOM 19725 H2 TIP3 6699 83.647 72.840 22.706 1.00 0.00 WT1 H ATOM 19726 OH2 TIP3 6700 58.335 79.958 -10.426 1.00 0.00 WT1 O ATOM 19727 H1 TIP3 6700 58.825 79.136 -10.448 1.00 0.00 WT1 H ATOM 19728 H2 TIP3 6700 58.981 80.616 -10.172 1.00 0.00 WT1 H ATOM 19729 OH2 TIP3 6701 27.565 12.228 -16.253 1.00 0.00 WT1 O ATOM 19730 H1 TIP3 6701 27.246 11.435 -16.685 1.00 0.00 WT1 H ATOM 19731 H2 TIP3 6701 26.771 12.711 -16.024 1.00 0.00 WT1 H ATOM 19732 OH2 TIP3 6702 88.077 0.833 50.360 1.00 0.00 WT1 O ATOM 19733 H1 TIP3 6702 87.904 1.604 50.901 1.00 0.00 WT1 H ATOM 19734 H2 TIP3 6702 87.250 0.351 50.359 1.00 0.00 WT1 H ATOM 19735 OH2 TIP3 6703 47.830 5.950 11.231 1.00 0.00 WT1 O ATOM 19736 H1 TIP3 6703 47.555 5.659 12.100 1.00 0.00 WT1 H ATOM 19737 H2 TIP3 6703 47.307 6.735 11.064 1.00 0.00 WT1 H ATOM 19738 OH2 TIP3 6704 35.912 51.496 -16.789 1.00 0.00 WT1 O ATOM 19739 H1 TIP3 6704 35.516 51.246 -17.624 1.00 0.00 WT1 H ATOM 19740 H2 TIP3 6704 35.346 52.191 -16.453 1.00 0.00 WT1 H ATOM 19741 OH2 TIP3 6705 57.083 5.650 -14.964 1.00 0.00 WT1 O ATOM 19742 H1 TIP3 6705 56.978 6.435 -15.501 1.00 0.00 WT1 H ATOM 19743 H2 TIP3 6705 57.957 5.326 -15.180 1.00 0.00 WT1 H ATOM 19744 OH2 TIP3 6706 61.776 83.322 -6.190 1.00 0.00 WT1 O ATOM 19745 H1 TIP3 6706 62.627 83.351 -6.628 1.00 0.00 WT1 H ATOM 19746 H2 TIP3 6706 61.437 84.213 -6.265 1.00 0.00 WT1 H ATOM 19747 OH2 TIP3 6707 28.580 40.116 44.928 1.00 0.00 WT1 O ATOM 19748 H1 TIP3 6707 29.365 39.754 44.518 1.00 0.00 WT1 H ATOM 19749 H2 TIP3 6707 28.177 40.652 44.245 1.00 0.00 WT1 H ATOM 19750 OH2 TIP3 6708 85.583 16.445 60.186 1.00 0.00 WT1 O ATOM 19751 H1 TIP3 6708 85.018 16.934 60.783 1.00 0.00 WT1 H ATOM 19752 H2 TIP3 6708 86.449 16.481 60.592 1.00 0.00 WT1 H ATOM 19753 OH2 TIP3 6709 28.307 10.849 -13.534 1.00 0.00 WT1 O ATOM 19754 H1 TIP3 6709 28.504 11.051 -14.449 1.00 0.00 WT1 H ATOM 19755 H2 TIP3 6709 27.403 11.139 -13.413 1.00 0.00 WT1 H ATOM 19756 OH2 TIP3 6710 27.715 19.038 50.770 1.00 0.00 WT1 O ATOM 19757 H1 TIP3 6710 27.131 18.761 50.064 1.00 0.00 WT1 H ATOM 19758 H2 TIP3 6710 27.249 18.803 51.573 1.00 0.00 WT1 H ATOM 19759 OH2 TIP3 6711 22.240 36.193 5.243 1.00 0.00 WT1 O ATOM 19760 H1 TIP3 6711 22.884 35.726 5.774 1.00 0.00 WT1 H ATOM 19761 H2 TIP3 6711 22.510 37.110 5.288 1.00 0.00 WT1 H ATOM 19762 OH2 TIP3 6712 30.573 25.612 -5.673 1.00 0.00 WT1 O ATOM 19763 H1 TIP3 6712 29.831 26.213 -5.733 1.00 0.00 WT1 H ATOM 19764 H2 TIP3 6712 30.780 25.395 -6.582 1.00 0.00 WT1 H ATOM 19765 OH2 TIP3 6713 52.896 6.626 11.928 1.00 0.00 WT1 O ATOM 19766 H1 TIP3 6713 53.082 6.486 12.857 1.00 0.00 WT1 H ATOM 19767 H2 TIP3 6713 52.155 6.048 11.743 1.00 0.00 WT1 H ATOM 19768 OH2 TIP3 6714 66.585 8.535 -2.184 1.00 0.00 WT1 O ATOM 19769 H1 TIP3 6714 67.505 8.789 -2.265 1.00 0.00 WT1 H ATOM 19770 H2 TIP3 6714 66.279 8.990 -1.399 1.00 0.00 WT1 H ATOM 19771 OH2 TIP3 6715 82.811 15.103 -0.085 1.00 0.00 WT1 O ATOM 19772 H1 TIP3 6715 82.016 14.729 -0.466 1.00 0.00 WT1 H ATOM 19773 H2 TIP3 6715 82.949 14.605 0.720 1.00 0.00 WT1 H ATOM 19774 OH2 TIP3 6716 74.878 90.036 59.273 1.00 0.00 WT1 O ATOM 19775 H1 TIP3 6716 74.960 89.099 59.097 1.00 0.00 WT1 H ATOM 19776 H2 TIP3 6716 73.960 90.154 59.519 1.00 0.00 WT1 H ATOM 19777 OH2 TIP3 6717 79.593 93.570 -0.820 1.00 0.00 WT1 O ATOM 19778 H1 TIP3 6717 79.796 94.314 -1.387 1.00 0.00 WT1 H ATOM 19779 H2 TIP3 6717 79.042 93.938 -0.128 1.00 0.00 WT1 H ATOM 19780 OH2 TIP3 6718 34.739 67.529 -10.768 1.00 0.00 WT1 O ATOM 19781 H1 TIP3 6718 34.267 66.710 -10.618 1.00 0.00 WT1 H ATOM 19782 H2 TIP3 6718 34.566 68.052 -9.984 1.00 0.00 WT1 H ATOM 19783 OH2 TIP3 6719 22.151 51.985 -11.880 1.00 0.00 WT1 O ATOM 19784 H1 TIP3 6719 21.673 52.700 -11.459 1.00 0.00 WT1 H ATOM 19785 H2 TIP3 6719 21.471 51.366 -12.147 1.00 0.00 WT1 H ATOM 19786 OH2 TIP3 6720 20.809 41.404 -7.080 1.00 0.00 WT1 O ATOM 19787 H1 TIP3 6720 21.009 40.530 -6.745 1.00 0.00 WT1 H ATOM 19788 H2 TIP3 6720 20.702 41.943 -6.296 1.00 0.00 WT1 H ATOM 19789 OH2 TIP3 6721 87.266 30.927 -8.040 1.00 0.00 WT1 O ATOM 19790 H1 TIP3 6721 87.632 31.476 -7.347 1.00 0.00 WT1 H ATOM 19791 H2 TIP3 6721 87.716 30.088 -7.944 1.00 0.00 WT1 H ATOM 19792 OH2 TIP3 6722 25.814 23.974 57.041 1.00 0.00 WT1 O ATOM 19793 H1 TIP3 6722 25.568 23.889 56.120 1.00 0.00 WT1 H ATOM 19794 H2 TIP3 6722 26.700 23.617 57.087 1.00 0.00 WT1 H ATOM 19795 OH2 TIP3 6723 52.158 6.814 52.614 1.00 0.00 WT1 O ATOM 19796 H1 TIP3 6723 51.812 6.576 53.475 1.00 0.00 WT1 H ATOM 19797 H2 TIP3 6723 53.098 6.924 52.756 1.00 0.00 WT1 H ATOM 19798 OH2 TIP3 6724 30.693 49.765 -2.982 1.00 0.00 WT1 O ATOM 19799 H1 TIP3 6724 31.341 49.070 -2.871 1.00 0.00 WT1 H ATOM 19800 H2 TIP3 6724 29.881 49.394 -2.637 1.00 0.00 WT1 H ATOM 19801 OH2 TIP3 6725 65.536 43.416 61.976 1.00 0.00 WT1 O ATOM 19802 H1 TIP3 6725 66.195 43.404 61.282 1.00 0.00 WT1 H ATOM 19803 H2 TIP3 6725 65.144 42.543 61.950 1.00 0.00 WT1 H ATOM 19804 OH2 TIP3 6726 36.889 49.670 20.490 1.00 0.00 WT1 O ATOM 19805 H1 TIP3 6726 36.981 49.331 21.380 1.00 0.00 WT1 H ATOM 19806 H2 TIP3 6726 37.746 49.527 20.088 1.00 0.00 WT1 H ATOM 19807 OH2 TIP3 6727 67.067 19.372 15.764 1.00 0.00 WT1 O ATOM 19808 H1 TIP3 6727 66.277 18.907 15.488 1.00 0.00 WT1 H ATOM 19809 H2 TIP3 6727 66.745 20.090 16.310 1.00 0.00 WT1 H ATOM 19810 OH2 TIP3 6728 22.167 69.643 -12.515 1.00 0.00 WT1 O ATOM 19811 H1 TIP3 6728 21.283 69.756 -12.165 1.00 0.00 WT1 H ATOM 19812 H2 TIP3 6728 22.729 70.120 -11.904 1.00 0.00 WT1 H ATOM 19813 OH2 TIP3 6729 69.886 85.758 22.061 1.00 0.00 WT1 O ATOM 19814 H1 TIP3 6729 68.946 85.837 21.899 1.00 0.00 WT1 H ATOM 19815 H2 TIP3 6729 70.286 85.826 21.194 1.00 0.00 WT1 H ATOM 19816 OH2 TIP3 6730 68.222 54.427 24.128 1.00 0.00 WT1 O ATOM 19817 H1 TIP3 6730 67.487 54.507 23.520 1.00 0.00 WT1 H ATOM 19818 H2 TIP3 6730 68.377 55.320 24.435 1.00 0.00 WT1 H ATOM 19819 OH2 TIP3 6731 53.341 79.656 6.090 1.00 0.00 WT1 O ATOM 19820 H1 TIP3 6731 54.056 79.020 6.112 1.00 0.00 WT1 H ATOM 19821 H2 TIP3 6731 53.779 80.507 6.073 1.00 0.00 WT1 H ATOM 19822 OH2 TIP3 6732 83.653 19.127 -6.048 1.00 0.00 WT1 O ATOM 19823 H1 TIP3 6732 84.257 19.819 -5.778 1.00 0.00 WT1 H ATOM 19824 H2 TIP3 6732 82.958 19.145 -5.390 1.00 0.00 WT1 H ATOM 19825 OH2 TIP3 6733 83.167 31.565 32.929 1.00 0.00 WT1 O ATOM 19826 H1 TIP3 6733 82.682 32.114 32.313 1.00 0.00 WT1 H ATOM 19827 H2 TIP3 6733 82.546 30.880 33.178 1.00 0.00 WT1 H ATOM 19828 OH2 TIP3 6734 24.211 5.394 48.820 1.00 0.00 WT1 O ATOM 19829 H1 TIP3 6734 25.138 5.254 48.631 1.00 0.00 WT1 H ATOM 19830 H2 TIP3 6734 23.803 4.542 48.667 1.00 0.00 WT1 H ATOM 19831 OH2 TIP3 6735 34.354 25.557 25.428 1.00 0.00 WT1 O ATOM 19832 H1 TIP3 6735 34.073 26.247 24.827 1.00 0.00 WT1 H ATOM 19833 H2 TIP3 6735 35.003 25.979 25.992 1.00 0.00 WT1 H ATOM 19834 OH2 TIP3 6736 27.950 71.780 31.506 1.00 0.00 WT1 O ATOM 19835 H1 TIP3 6736 27.517 72.283 32.195 1.00 0.00 WT1 H ATOM 19836 H2 TIP3 6736 28.744 71.440 31.920 1.00 0.00 WT1 H ATOM 19837 OH2 TIP3 6737 86.350 10.981 42.840 1.00 0.00 WT1 O ATOM 19838 H1 TIP3 6737 86.227 10.107 43.210 1.00 0.00 WT1 H ATOM 19839 H2 TIP3 6737 87.288 11.149 42.929 1.00 0.00 WT1 H ATOM 19840 OH2 TIP3 6738 37.226 88.706 53.758 1.00 0.00 WT1 O ATOM 19841 H1 TIP3 6738 36.992 89.631 53.822 1.00 0.00 WT1 H ATOM 19842 H2 TIP3 6738 38.006 88.693 53.203 1.00 0.00 WT1 H ATOM 19843 OH2 TIP3 6739 52.876 6.101 47.575 1.00 0.00 WT1 O ATOM 19844 H1 TIP3 6739 52.359 6.656 48.158 1.00 0.00 WT1 H ATOM 19845 H2 TIP3 6739 53.441 5.598 48.162 1.00 0.00 WT1 H ATOM 19846 OH2 TIP3 6740 26.690 28.035 26.105 1.00 0.00 WT1 O ATOM 19847 H1 TIP3 6740 26.239 28.362 25.327 1.00 0.00 WT1 H ATOM 19848 H2 TIP3 6740 27.288 28.740 26.351 1.00 0.00 WT1 H ATOM 19849 OH2 TIP3 6741 63.538 1.875 38.195 1.00 0.00 WT1 O ATOM 19850 H1 TIP3 6741 63.856 2.778 38.184 1.00 0.00 WT1 H ATOM 19851 H2 TIP3 6741 64.032 1.439 37.501 1.00 0.00 WT1 H ATOM 19852 OH2 TIP3 6742 60.700 3.023 59.006 1.00 0.00 WT1 O ATOM 19853 H1 TIP3 6742 60.688 2.365 58.311 1.00 0.00 WT1 H ATOM 19854 H2 TIP3 6742 61.606 3.331 59.029 1.00 0.00 WT1 H ATOM 19855 OH2 TIP3 6743 73.124 86.565 40.681 1.00 0.00 WT1 O ATOM 19856 H1 TIP3 6743 72.599 86.043 41.287 1.00 0.00 WT1 H ATOM 19857 H2 TIP3 6743 74.027 86.433 40.970 1.00 0.00 WT1 H ATOM 19858 OH2 TIP3 6744 39.132 65.846 -16.938 1.00 0.00 WT1 O ATOM 19859 H1 TIP3 6744 38.759 66.499 -17.529 1.00 0.00 WT1 H ATOM 19860 H2 TIP3 6744 38.893 65.005 -17.327 1.00 0.00 WT1 H ATOM 19861 OH2 TIP3 6745 45.335 95.824 61.437 1.00 0.00 WT1 O ATOM 19862 H1 TIP3 6745 44.532 95.890 61.953 1.00 0.00 WT1 H ATOM 19863 H2 TIP3 6745 45.132 95.179 60.759 1.00 0.00 WT1 H ATOM 19864 OH2 TIP3 6746 53.413 37.640 0.579 1.00 0.00 WT1 O ATOM 19865 H1 TIP3 6746 52.594 37.649 0.082 1.00 0.00 WT1 H ATOM 19866 H2 TIP3 6746 53.137 37.598 1.495 1.00 0.00 WT1 H ATOM 19867 OH2 TIP3 6747 33.340 93.310 13.391 1.00 0.00 WT1 O ATOM 19868 H1 TIP3 6747 34.199 93.065 13.047 1.00 0.00 WT1 H ATOM 19869 H2 TIP3 6747 32.940 93.828 12.692 1.00 0.00 WT1 H ATOM 19870 OH2 TIP3 6748 55.722 7.593 56.419 1.00 0.00 WT1 O ATOM 19871 H1 TIP3 6748 55.343 7.048 55.729 1.00 0.00 WT1 H ATOM 19872 H2 TIP3 6748 56.422 7.056 56.791 1.00 0.00 WT1 H ATOM 19873 OH2 TIP3 6749 21.298 56.649 -9.087 1.00 0.00 WT1 O ATOM 19874 H1 TIP3 6749 20.707 56.247 -8.450 1.00 0.00 WT1 H ATOM 19875 H2 TIP3 6749 20.820 56.608 -9.916 1.00 0.00 WT1 H ATOM 19876 OH2 TIP3 6750 33.658 2.254 -18.774 1.00 0.00 WT1 O ATOM 19877 H1 TIP3 6750 33.723 3.109 -19.200 1.00 0.00 WT1 H ATOM 19878 H2 TIP3 6750 33.880 1.626 -19.461 1.00 0.00 WT1 H ATOM 19879 OH2 TIP3 6751 67.981 73.347 5.150 1.00 0.00 WT1 O ATOM 19880 H1 TIP3 6751 68.540 74.056 5.468 1.00 0.00 WT1 H ATOM 19881 H2 TIP3 6751 67.512 73.044 5.928 1.00 0.00 WT1 H ATOM 19882 OH2 TIP3 6752 75.265 49.680 22.039 1.00 0.00 WT1 O ATOM 19883 H1 TIP3 6752 74.676 48.928 21.980 1.00 0.00 WT1 H ATOM 19884 H2 TIP3 6752 75.440 49.776 22.975 1.00 0.00 WT1 H ATOM 19885 OH2 TIP3 6753 53.114 0.367 19.699 1.00 0.00 WT1 O ATOM 19886 H1 TIP3 6753 53.602 0.700 20.452 1.00 0.00 WT1 H ATOM 19887 H2 TIP3 6753 52.623 -0.380 20.043 1.00 0.00 WT1 H ATOM 19888 OH2 TIP3 6754 64.318 38.650 38.220 1.00 0.00 WT1 O ATOM 19889 H1 TIP3 6754 64.380 38.801 37.277 1.00 0.00 WT1 H ATOM 19890 H2 TIP3 6754 65.190 38.860 38.554 1.00 0.00 WT1 H ATOM 19891 OH2 TIP3 6755 36.941 17.580 66.417 1.00 0.00 WT1 O ATOM 19892 H1 TIP3 6755 36.998 16.624 66.407 1.00 0.00 WT1 H ATOM 19893 H2 TIP3 6755 36.713 17.815 65.518 1.00 0.00 WT1 H ATOM 19894 OH2 TIP3 6756 34.334 65.748 23.325 1.00 0.00 WT1 O ATOM 19895 H1 TIP3 6756 34.559 65.598 22.407 1.00 0.00 WT1 H ATOM 19896 H2 TIP3 6756 35.164 65.656 23.794 1.00 0.00 WT1 H ATOM 19897 OH2 TIP3 6757 77.300 51.684 -1.965 1.00 0.00 WT1 O ATOM 19898 H1 TIP3 6757 76.788 51.323 -1.241 1.00 0.00 WT1 H ATOM 19899 H2 TIP3 6757 76.688 52.253 -2.431 1.00 0.00 WT1 H ATOM 19900 OH2 TIP3 6758 26.776 17.975 12.774 1.00 0.00 WT1 O ATOM 19901 H1 TIP3 6758 26.213 17.381 12.278 1.00 0.00 WT1 H ATOM 19902 H2 TIP3 6758 26.328 18.820 12.734 1.00 0.00 WT1 H ATOM 19903 OH2 TIP3 6759 87.515 58.923 35.173 1.00 0.00 WT1 O ATOM 19904 H1 TIP3 6759 87.217 58.014 35.162 1.00 0.00 WT1 H ATOM 19905 H2 TIP3 6759 86.894 59.372 35.747 1.00 0.00 WT1 H ATOM 19906 OH2 TIP3 6760 52.745 41.530 -4.898 1.00 0.00 WT1 O ATOM 19907 H1 TIP3 6760 53.238 42.301 -4.618 1.00 0.00 WT1 H ATOM 19908 H2 TIP3 6760 53.343 40.797 -4.752 1.00 0.00 WT1 H ATOM 19909 OH2 TIP3 6761 28.760 8.090 -16.436 1.00 0.00 WT1 O ATOM 19910 H1 TIP3 6761 28.525 9.018 -16.435 1.00 0.00 WT1 H ATOM 19911 H2 TIP3 6761 28.139 7.684 -15.832 1.00 0.00 WT1 H ATOM 19912 OH2 TIP3 6762 36.272 83.547 50.217 1.00 0.00 WT1 O ATOM 19913 H1 TIP3 6762 35.340 83.329 50.178 1.00 0.00 WT1 H ATOM 19914 H2 TIP3 6762 36.307 84.357 50.727 1.00 0.00 WT1 H ATOM 19915 OH2 TIP3 6763 82.410 90.385 6.730 1.00 0.00 WT1 O ATOM 19916 H1 TIP3 6763 83.118 89.919 7.175 1.00 0.00 WT1 H ATOM 19917 H2 TIP3 6763 81.611 89.963 7.043 1.00 0.00 WT1 H ATOM 19918 OH2 TIP3 6764 76.486 68.598 64.473 1.00 0.00 WT1 O ATOM 19919 H1 TIP3 6764 76.059 67.794 64.178 1.00 0.00 WT1 H ATOM 19920 H2 TIP3 6764 76.054 68.810 65.300 1.00 0.00 WT1 H ATOM 19921 OH2 TIP3 6765 70.988 33.875 13.506 1.00 0.00 WT1 O ATOM 19922 H1 TIP3 6765 70.848 34.068 14.433 1.00 0.00 WT1 H ATOM 19923 H2 TIP3 6765 70.147 33.533 13.202 1.00 0.00 WT1 H ATOM 19924 OH2 TIP3 6766 87.737 57.008 -15.993 1.00 0.00 WT1 O ATOM 19925 H1 TIP3 6766 88.413 56.403 -15.687 1.00 0.00 WT1 H ATOM 19926 H2 TIP3 6766 87.354 57.365 -15.192 1.00 0.00 WT1 H ATOM 19927 OH2 TIP3 6767 80.503 61.144 57.272 1.00 0.00 WT1 O ATOM 19928 H1 TIP3 6767 79.629 60.789 57.111 1.00 0.00 WT1 H ATOM 19929 H2 TIP3 6767 80.348 62.046 57.553 1.00 0.00 WT1 H ATOM 19930 OH2 TIP3 6768 59.638 13.127 5.205 1.00 0.00 WT1 O ATOM 19931 H1 TIP3 6768 58.700 13.280 5.096 1.00 0.00 WT1 H ATOM 19932 H2 TIP3 6768 59.825 13.412 6.100 1.00 0.00 WT1 H ATOM 19933 OH2 TIP3 6769 63.519 10.776 64.886 1.00 0.00 WT1 O ATOM 19934 H1 TIP3 6769 63.794 11.675 64.703 1.00 0.00 WT1 H ATOM 19935 H2 TIP3 6769 64.124 10.475 65.564 1.00 0.00 WT1 H ATOM 19936 OH2 TIP3 6770 59.200 23.564 67.027 1.00 0.00 WT1 O ATOM 19937 H1 TIP3 6770 59.724 22.999 66.459 1.00 0.00 WT1 H ATOM 19938 H2 TIP3 6770 58.535 22.983 67.396 1.00 0.00 WT1 H ATOM 19939 OH2 TIP3 6771 65.227 81.260 18.750 1.00 0.00 WT1 O ATOM 19940 H1 TIP3 6771 65.069 81.517 17.842 1.00 0.00 WT1 H ATOM 19941 H2 TIP3 6771 65.857 80.541 18.690 1.00 0.00 WT1 H ATOM 19942 OH2 TIP3 6772 81.473 24.989 -17.397 1.00 0.00 WT1 O ATOM 19943 H1 TIP3 6772 80.981 25.597 -16.845 1.00 0.00 WT1 H ATOM 19944 H2 TIP3 6772 82.165 24.653 -16.827 1.00 0.00 WT1 H ATOM 19945 OH2 TIP3 6773 89.163 83.032 4.548 1.00 0.00 WT1 O ATOM 19946 H1 TIP3 6773 88.526 83.527 4.032 1.00 0.00 WT1 H ATOM 19947 H2 TIP3 6773 88.717 82.857 5.376 1.00 0.00 WT1 H ATOM 19948 OH2 TIP3 6775 61.553 8.949 28.129 1.00 0.00 WT1 O ATOM 19949 H1 TIP3 6775 61.271 9.794 27.778 1.00 0.00 WT1 H ATOM 19950 H2 TIP3 6775 61.226 8.307 27.499 1.00 0.00 WT1 H ATOM 19951 OH2 TIP3 6776 70.976 28.524 65.738 1.00 0.00 WT1 O ATOM 19952 H1 TIP3 6776 71.205 29.453 65.744 1.00 0.00 WT1 H ATOM 19953 H2 TIP3 6776 70.074 28.498 66.058 1.00 0.00 WT1 H ATOM 19954 OH2 TIP3 6777 61.882 1.231 -0.009 1.00 0.00 WT1 O ATOM 19955 H1 TIP3 6777 62.741 0.842 -0.177 1.00 0.00 WT1 H ATOM 19956 H2 TIP3 6777 61.418 0.574 0.510 1.00 0.00 WT1 H ATOM 19957 OH2 TIP3 6778 74.692 90.444 32.412 1.00 0.00 WT1 O ATOM 19958 H1 TIP3 6778 74.315 89.570 32.514 1.00 0.00 WT1 H ATOM 19959 H2 TIP3 6778 74.052 91.029 32.816 1.00 0.00 WT1 H ATOM 19960 OH2 TIP3 6779 27.001 95.460 -16.388 1.00 0.00 WT1 O ATOM 19961 H1 TIP3 6779 26.451 94.755 -16.045 1.00 0.00 WT1 H ATOM 19962 H2 TIP3 6779 27.897 95.170 -16.216 1.00 0.00 WT1 H ATOM 19963 OH2 TIP3 6780 31.508 2.430 -5.442 1.00 0.00 WT1 O ATOM 19964 H1 TIP3 6780 31.999 3.016 -4.865 1.00 0.00 WT1 H ATOM 19965 H2 TIP3 6780 31.546 1.579 -5.006 1.00 0.00 WT1 H ATOM 19966 OH2 TIP3 6781 75.283 31.331 38.274 1.00 0.00 WT1 O ATOM 19967 H1 TIP3 6781 75.542 30.519 38.709 1.00 0.00 WT1 H ATOM 19968 H2 TIP3 6781 75.045 31.921 38.990 1.00 0.00 WT1 H ATOM 19969 OH2 TIP3 6782 86.392 11.394 39.958 1.00 0.00 WT1 O ATOM 19970 H1 TIP3 6782 85.509 11.470 39.594 1.00 0.00 WT1 H ATOM 19971 H2 TIP3 6782 86.263 10.997 40.819 1.00 0.00 WT1 H ATOM 19972 OH2 TIP3 6783 52.793 88.530 14.392 1.00 0.00 WT1 O ATOM 19973 H1 TIP3 6783 52.280 87.722 14.398 1.00 0.00 WT1 H ATOM 19974 H2 TIP3 6783 52.512 88.997 15.179 1.00 0.00 WT1 H ATOM 19975 OH2 TIP3 6784 73.720 18.039 -2.812 1.00 0.00 WT1 O ATOM 19976 H1 TIP3 6784 73.515 18.061 -1.877 1.00 0.00 WT1 H ATOM 19977 H2 TIP3 6784 73.949 18.942 -3.029 1.00 0.00 WT1 H ATOM 19978 OH2 TIP3 6785 22.777 31.583 45.591 1.00 0.00 WT1 O ATOM 19979 H1 TIP3 6785 23.257 32.384 45.382 1.00 0.00 WT1 H ATOM 19980 H2 TIP3 6785 22.724 31.111 44.759 1.00 0.00 WT1 H ATOM 19981 OH2 TIP3 6786 75.931 48.895 24.670 1.00 0.00 WT1 O ATOM 19982 H1 TIP3 6786 75.259 48.718 25.329 1.00 0.00 WT1 H ATOM 19983 H2 TIP3 6786 76.679 48.363 24.941 1.00 0.00 WT1 H ATOM 19984 OH2 TIP3 6787 66.247 79.252 55.204 1.00 0.00 WT1 O ATOM 19985 H1 TIP3 6787 66.424 80.190 55.269 1.00 0.00 WT1 H ATOM 19986 H2 TIP3 6787 65.409 79.197 54.745 1.00 0.00 WT1 H ATOM 19987 OH2 TIP3 6788 87.948 28.519 60.349 1.00 0.00 WT1 O ATOM 19988 H1 TIP3 6788 88.774 28.277 60.768 1.00 0.00 WT1 H ATOM 19989 H2 TIP3 6788 87.346 27.811 60.577 1.00 0.00 WT1 H ATOM 19990 OH2 TIP3 6789 79.989 34.765 22.177 1.00 0.00 WT1 O ATOM 19991 H1 TIP3 6789 79.565 34.785 21.319 1.00 0.00 WT1 H ATOM 19992 H2 TIP3 6789 80.815 34.307 22.026 1.00 0.00 WT1 H ATOM 19993 OH2 TIP3 6790 76.872 64.158 -10.119 1.00 0.00 WT1 O ATOM 19994 H1 TIP3 6790 75.974 63.835 -10.048 1.00 0.00 WT1 H ATOM 19995 H2 TIP3 6790 76.790 65.110 -10.055 1.00 0.00 WT1 H ATOM 19996 OH2 TIP3 6791 82.504 10.513 -19.659 1.00 0.00 WT1 O ATOM 19997 H1 TIP3 6791 82.649 9.569 -19.590 1.00 0.00 WT1 H ATOM 19998 H2 TIP3 6791 82.952 10.766 -20.466 1.00 0.00 WT1 H ATOM 19999 OH2 TIP3 6792 30.355 37.723 -6.384 1.00 0.00 WT1 O ATOM 20000 H1 TIP3 6792 31.284 37.852 -6.575 1.00 0.00 WT1 H ATOM 20001 H2 TIP3 6792 30.313 37.657 -5.430 1.00 0.00 WT1 H ATOM 20002 OH2 TIP3 6793 70.654 45.944 -13.382 1.00 0.00 WT1 O ATOM 20003 H1 TIP3 6793 70.747 45.141 -13.893 1.00 0.00 WT1 H ATOM 20004 H2 TIP3 6793 70.336 45.650 -12.528 1.00 0.00 WT1 H ATOM 20005 OH2 TIP3 6794 29.972 30.157 66.052 1.00 0.00 WT1 O ATOM 20006 H1 TIP3 6794 30.587 29.437 65.909 1.00 0.00 WT1 H ATOM 20007 H2 TIP3 6794 30.224 30.819 65.409 1.00 0.00 WT1 H ATOM 20008 OH2 TIP3 6795 35.970 43.798 14.041 1.00 0.00 WT1 O ATOM 20009 H1 TIP3 6795 36.392 42.950 13.907 1.00 0.00 WT1 H ATOM 20010 H2 TIP3 6795 36.640 44.337 14.460 1.00 0.00 WT1 H ATOM 20011 OH2 TIP3 6798 88.545 35.923 28.087 1.00 0.00 WT1 O ATOM 20012 H1 TIP3 6798 88.869 35.786 27.197 1.00 0.00 WT1 H ATOM 20013 H2 TIP3 6798 89.159 35.443 28.642 1.00 0.00 WT1 H ATOM 20014 OH2 TIP3 6799 50.302 48.752 -17.334 1.00 0.00 WT1 O ATOM 20015 H1 TIP3 6799 51.037 48.372 -17.815 1.00 0.00 WT1 H ATOM 20016 H2 TIP3 6799 50.005 48.049 -16.755 1.00 0.00 WT1 H ATOM 20017 OH2 TIP3 6800 65.369 18.747 42.664 1.00 0.00 WT1 O ATOM 20018 H1 TIP3 6800 65.674 19.531 43.122 1.00 0.00 WT1 H ATOM 20019 H2 TIP3 6800 65.503 18.943 41.737 1.00 0.00 WT1 H ATOM 20020 OH2 TIP3 6801 24.545 68.761 -18.583 1.00 0.00 WT1 O ATOM 20021 H1 TIP3 6801 24.760 69.292 -19.349 1.00 0.00 WT1 H ATOM 20022 H2 TIP3 6801 25.311 68.200 -18.457 1.00 0.00 WT1 H ATOM 20023 OH2 TIP3 6802 55.020 31.070 12.797 1.00 0.00 WT1 O ATOM 20024 H1 TIP3 6802 54.907 30.124 12.885 1.00 0.00 WT1 H ATOM 20025 H2 TIP3 6802 54.131 31.423 12.839 1.00 0.00 WT1 H ATOM 20026 OH2 TIP3 6803 80.681 7.345 -18.811 1.00 0.00 WT1 O ATOM 20027 H1 TIP3 6803 81.532 7.657 -19.119 1.00 0.00 WT1 H ATOM 20028 H2 TIP3 6803 80.874 6.517 -18.371 1.00 0.00 WT1 H ATOM 20029 OH2 TIP3 6804 87.525 26.535 -4.616 1.00 0.00 WT1 O ATOM 20030 H1 TIP3 6804 87.874 27.188 -4.010 1.00 0.00 WT1 H ATOM 20031 H2 TIP3 6804 87.068 25.907 -4.056 1.00 0.00 WT1 H ATOM 20032 OH2 TIP3 6805 76.055 30.689 34.320 1.00 0.00 WT1 O ATOM 20033 H1 TIP3 6805 76.270 31.095 33.480 1.00 0.00 WT1 H ATOM 20034 H2 TIP3 6805 75.633 31.385 34.823 1.00 0.00 WT1 H ATOM 20035 OH2 TIP3 6806 69.467 38.658 14.729 1.00 0.00 WT1 O ATOM 20036 H1 TIP3 6806 69.730 39.538 14.460 1.00 0.00 WT1 H ATOM 20037 H2 TIP3 6806 68.585 38.551 14.371 1.00 0.00 WT1 H ATOM 20038 OH2 TIP3 6807 81.273 45.532 -0.046 1.00 0.00 WT1 O ATOM 20039 H1 TIP3 6807 81.317 44.701 0.428 1.00 0.00 WT1 H ATOM 20040 H2 TIP3 6807 82.167 45.681 -0.354 1.00 0.00 WT1 H ATOM 20041 OH2 TIP3 6808 76.193 14.882 -17.744 1.00 0.00 WT1 O ATOM 20042 H1 TIP3 6808 75.274 14.969 -17.996 1.00 0.00 WT1 H ATOM 20043 H2 TIP3 6808 76.202 14.166 -17.109 1.00 0.00 WT1 H ATOM 20044 OH2 TIP3 6809 88.059 85.766 3.111 1.00 0.00 WT1 O ATOM 20045 H1 TIP3 6809 87.594 84.988 2.802 1.00 0.00 WT1 H ATOM 20046 H2 TIP3 6809 87.530 86.088 3.841 1.00 0.00 WT1 H ATOM 20047 OH2 TIP3 6810 61.211 21.846 33.952 1.00 0.00 WT1 O ATOM 20048 H1 TIP3 6810 61.909 22.462 34.174 1.00 0.00 WT1 H ATOM 20049 H2 TIP3 6810 60.523 22.391 33.568 1.00 0.00 WT1 H ATOM 20050 OH2 TIP3 6811 55.399 57.335 66.009 1.00 0.00 WT1 O ATOM 20051 H1 TIP3 6811 55.135 56.416 66.060 1.00 0.00 WT1 H ATOM 20052 H2 TIP3 6811 55.757 57.530 66.875 1.00 0.00 WT1 H ATOM 20053 OH2 TIP3 6812 76.335 26.920 -4.735 1.00 0.00 WT1 O ATOM 20054 H1 TIP3 6812 75.972 27.740 -4.402 1.00 0.00 WT1 H ATOM 20055 H2 TIP3 6812 77.167 27.172 -5.136 1.00 0.00 WT1 H ATOM 20056 OH2 TIP3 6813 26.581 46.338 66.059 1.00 0.00 WT1 O ATOM 20057 H1 TIP3 6813 26.676 46.571 65.136 1.00 0.00 WT1 H ATOM 20058 H2 TIP3 6813 27.084 45.530 66.155 1.00 0.00 WT1 H ATOM 20059 OH2 TIP3 6814 59.766 44.774 50.474 1.00 0.00 WT1 O ATOM 20060 H1 TIP3 6814 59.546 44.245 51.240 1.00 0.00 WT1 H ATOM 20061 H2 TIP3 6814 58.929 44.917 50.032 1.00 0.00 WT1 H ATOM 20062 OH2 TIP3 6817 58.368 89.252 20.181 1.00 0.00 WT1 O ATOM 20063 H1 TIP3 6817 58.689 88.851 20.989 1.00 0.00 WT1 H ATOM 20064 H2 TIP3 6817 59.060 89.088 19.540 1.00 0.00 WT1 H ATOM 20065 OH2 TIP3 6818 34.982 54.602 65.892 1.00 0.00 WT1 O ATOM 20066 H1 TIP3 6818 34.272 53.962 65.944 1.00 0.00 WT1 H ATOM 20067 H2 TIP3 6818 35.737 54.156 66.276 1.00 0.00 WT1 H ATOM 20068 OH2 TIP3 6819 55.228 7.031 40.159 1.00 0.00 WT1 O ATOM 20069 H1 TIP3 6819 54.485 7.417 39.695 1.00 0.00 WT1 H ATOM 20070 H2 TIP3 6819 55.285 7.528 40.975 1.00 0.00 WT1 H ATOM 20071 OH2 TIP3 6820 54.412 15.826 46.956 1.00 0.00 WT1 O ATOM 20072 H1 TIP3 6820 54.447 14.882 46.798 1.00 0.00 WT1 H ATOM 20073 H2 TIP3 6820 55.301 16.133 46.775 1.00 0.00 WT1 H ATOM 20074 OH2 TIP3 6822 40.801 57.178 9.608 1.00 0.00 WT1 O ATOM 20075 H1 TIP3 6822 41.689 57.511 9.733 1.00 0.00 WT1 H ATOM 20076 H2 TIP3 6822 40.802 56.323 10.040 1.00 0.00 WT1 H ATOM 20077 OH2 TIP3 6823 32.388 41.281 -13.659 1.00 0.00 WT1 O ATOM 20078 H1 TIP3 6823 33.077 41.911 -13.445 1.00 0.00 WT1 H ATOM 20079 H2 TIP3 6823 32.582 40.519 -13.114 1.00 0.00 WT1 H ATOM 20080 OH2 TIP3 6824 56.614 22.125 64.082 1.00 0.00 WT1 O ATOM 20081 H1 TIP3 6824 56.803 21.991 65.011 1.00 0.00 WT1 H ATOM 20082 H2 TIP3 6824 55.779 22.592 64.072 1.00 0.00 WT1 H ATOM 20083 OH2 TIP3 6825 48.531 2.699 41.309 1.00 0.00 WT1 O ATOM 20084 H1 TIP3 6825 47.744 2.187 41.495 1.00 0.00 WT1 H ATOM 20085 H2 TIP3 6825 48.492 3.431 41.924 1.00 0.00 WT1 H ATOM 20086 OH2 TIP3 6826 34.768 18.846 42.359 1.00 0.00 WT1 O ATOM 20087 H1 TIP3 6826 34.604 19.402 41.597 1.00 0.00 WT1 H ATOM 20088 H2 TIP3 6826 34.494 17.971 42.081 1.00 0.00 WT1 H ATOM 20089 OH2 TIP3 6827 76.599 83.280 45.014 1.00 0.00 WT1 O ATOM 20090 H1 TIP3 6827 76.995 82.468 44.697 1.00 0.00 WT1 H ATOM 20091 H2 TIP3 6827 77.179 83.971 44.695 1.00 0.00 WT1 H ATOM 20092 OH2 TIP3 6828 78.558 44.524 6.622 1.00 0.00 WT1 O ATOM 20093 H1 TIP3 6828 77.891 45.209 6.592 1.00 0.00 WT1 H ATOM 20094 H2 TIP3 6828 78.172 43.836 7.165 1.00 0.00 WT1 H ATOM 20095 OH2 TIP3 6829 79.009 75.542 -11.132 1.00 0.00 WT1 O ATOM 20096 H1 TIP3 6829 79.266 75.122 -11.953 1.00 0.00 WT1 H ATOM 20097 H2 TIP3 6829 79.417 76.408 -11.168 1.00 0.00 WT1 H ATOM 20098 OH2 TIP3 6831 64.710 10.740 16.348 1.00 0.00 WT1 O ATOM 20099 H1 TIP3 6831 64.900 11.280 17.115 1.00 0.00 WT1 H ATOM 20100 H2 TIP3 6831 63.849 10.362 16.528 1.00 0.00 WT1 H ATOM 20101 OH2 TIP3 6832 74.786 29.219 52.485 1.00 0.00 WT1 O ATOM 20102 H1 TIP3 6832 75.652 29.159 52.890 1.00 0.00 WT1 H ATOM 20103 H2 TIP3 6832 74.397 30.006 52.865 1.00 0.00 WT1 H ATOM 20104 OH2 TIP3 6833 71.742 53.938 10.227 1.00 0.00 WT1 O ATOM 20105 H1 TIP3 6833 71.918 53.172 10.774 1.00 0.00 WT1 H ATOM 20106 H2 TIP3 6833 70.788 54.021 10.231 1.00 0.00 WT1 H ATOM 20107 OH2 TIP3 6834 39.115 30.312 -8.649 1.00 0.00 WT1 O ATOM 20108 H1 TIP3 6834 38.191 30.563 -8.622 1.00 0.00 WT1 H ATOM 20109 H2 TIP3 6834 39.540 30.892 -8.017 1.00 0.00 WT1 H ATOM 20110 OH2 TIP3 6836 46.157 22.065 -1.518 1.00 0.00 WT1 O ATOM 20111 H1 TIP3 6836 47.095 22.251 -1.535 1.00 0.00 WT1 H ATOM 20112 H2 TIP3 6836 45.797 22.576 -2.243 1.00 0.00 WT1 H ATOM 20113 OH2 TIP3 6837 46.224 11.107 44.884 1.00 0.00 WT1 O ATOM 20114 H1 TIP3 6837 45.761 10.321 45.172 1.00 0.00 WT1 H ATOM 20115 H2 TIP3 6837 45.791 11.355 44.066 1.00 0.00 WT1 H ATOM 20116 OH2 TIP3 6838 76.010 51.547 0.342 1.00 0.00 WT1 O ATOM 20117 H1 TIP3 6838 75.190 51.751 0.791 1.00 0.00 WT1 H ATOM 20118 H2 TIP3 6838 76.684 51.650 1.015 1.00 0.00 WT1 H ATOM 20119 OH2 TIP3 6839 44.909 25.651 54.795 1.00 0.00 WT1 O ATOM 20120 H1 TIP3 6839 44.542 25.190 55.550 1.00 0.00 WT1 H ATOM 20121 H2 TIP3 6839 45.500 25.016 54.390 1.00 0.00 WT1 H ATOM 20122 OH2 TIP3 6840 85.038 68.823 -16.768 1.00 0.00 WT1 O ATOM 20123 H1 TIP3 6840 84.975 69.721 -16.445 1.00 0.00 WT1 H ATOM 20124 H2 TIP3 6840 85.763 68.440 -16.273 1.00 0.00 WT1 H ATOM 20125 OH2 TIP3 6841 60.264 45.129 64.754 1.00 0.00 WT1 O ATOM 20126 H1 TIP3 6841 61.009 45.716 64.883 1.00 0.00 WT1 H ATOM 20127 H2 TIP3 6841 59.920 45.363 63.892 1.00 0.00 WT1 H ATOM 20128 OH2 TIP3 6842 52.295 18.492 24.131 1.00 0.00 WT1 O ATOM 20129 H1 TIP3 6842 51.684 19.045 23.643 1.00 0.00 WT1 H ATOM 20130 H2 TIP3 6842 52.469 18.981 24.936 1.00 0.00 WT1 H ATOM 20131 OH2 TIP3 6843 83.652 10.621 3.195 1.00 0.00 WT1 O ATOM 20132 H1 TIP3 6843 82.771 10.988 3.261 1.00 0.00 WT1 H ATOM 20133 H2 TIP3 6843 83.630 10.084 2.403 1.00 0.00 WT1 H ATOM 20134 OH2 TIP3 6844 26.459 95.171 37.444 1.00 0.00 WT1 O ATOM 20135 H1 TIP3 6844 25.898 95.317 36.683 1.00 0.00 WT1 H ATOM 20136 H2 TIP3 6844 27.348 95.314 37.118 1.00 0.00 WT1 H ATOM 20137 OH2 TIP3 6845 90.992 34.218 24.565 1.00 0.00 WT1 O ATOM 20138 H1 TIP3 6845 91.016 34.922 25.214 1.00 0.00 WT1 H ATOM 20139 H2 TIP3 6845 90.076 33.943 24.543 1.00 0.00 WT1 H ATOM 20140 OH2 TIP3 6846 41.580 68.389 8.736 1.00 0.00 WT1 O ATOM 20141 H1 TIP3 6846 41.727 69.159 9.286 1.00 0.00 WT1 H ATOM 20142 H2 TIP3 6846 41.889 67.654 9.264 1.00 0.00 WT1 H ATOM 20143 OH2 TIP3 6847 90.220 8.169 46.977 1.00 0.00 WT1 O ATOM 20144 H1 TIP3 6847 89.895 7.279 46.839 1.00 0.00 WT1 H ATOM 20145 H2 TIP3 6847 90.051 8.617 46.148 1.00 0.00 WT1 H ATOM 20146 OH2 TIP3 6848 66.270 33.204 11.804 1.00 0.00 WT1 O ATOM 20147 H1 TIP3 6848 66.079 33.662 10.986 1.00 0.00 WT1 H ATOM 20148 H2 TIP3 6848 65.892 33.761 12.485 1.00 0.00 WT1 H ATOM 20149 OH2 TIP3 6849 54.909 52.447 55.112 1.00 0.00 WT1 O ATOM 20150 H1 TIP3 6849 55.055 52.544 54.172 1.00 0.00 WT1 H ATOM 20151 H2 TIP3 6849 54.035 52.810 55.258 1.00 0.00 WT1 H ATOM 20152 OH2 TIP3 6850 52.949 58.497 65.678 1.00 0.00 WT1 O ATOM 20153 H1 TIP3 6850 53.897 58.499 65.811 1.00 0.00 WT1 H ATOM 20154 H2 TIP3 6850 52.789 57.750 65.101 1.00 0.00 WT1 H ATOM 20155 OH2 TIP3 6851 88.459 34.136 61.006 1.00 0.00 WT1 O ATOM 20156 H1 TIP3 6851 88.860 33.725 61.772 1.00 0.00 WT1 H ATOM 20157 H2 TIP3 6851 87.942 34.858 61.365 1.00 0.00 WT1 H ATOM 20158 OH2 TIP3 6852 35.443 51.471 5.077 1.00 0.00 WT1 O ATOM 20159 H1 TIP3 6852 34.628 51.972 5.051 1.00 0.00 WT1 H ATOM 20160 H2 TIP3 6852 35.849 51.629 4.225 1.00 0.00 WT1 H ATOM 20161 OH2 TIP3 6853 73.112 95.468 12.978 1.00 0.00 WT1 O ATOM 20162 H1 TIP3 6853 73.729 95.039 12.385 1.00 0.00 WT1 H ATOM 20163 H2 TIP3 6853 72.374 94.861 13.037 1.00 0.00 WT1 H ATOM 20164 OH2 TIP3 6854 65.701 20.913 17.980 1.00 0.00 WT1 O ATOM 20165 H1 TIP3 6854 64.782 21.183 17.993 1.00 0.00 WT1 H ATOM 20166 H2 TIP3 6854 66.186 21.700 18.227 1.00 0.00 WT1 H ATOM 20167 OH2 TIP3 6855 51.288 59.926 8.288 1.00 0.00 WT1 O ATOM 20168 H1 TIP3 6855 51.459 60.623 7.653 1.00 0.00 WT1 H ATOM 20169 H2 TIP3 6855 52.101 59.853 8.788 1.00 0.00 WT1 H ATOM 20170 OH2 TIP3 6857 23.259 50.170 36.390 1.00 0.00 WT1 O ATOM 20171 H1 TIP3 6857 22.310 50.219 36.506 1.00 0.00 WT1 H ATOM 20172 H2 TIP3 6857 23.452 50.825 35.719 1.00 0.00 WT1 H ATOM 20173 OH2 TIP3 6858 67.897 19.049 30.553 1.00 0.00 WT1 O ATOM 20174 H1 TIP3 6858 68.532 19.163 29.846 1.00 0.00 WT1 H ATOM 20175 H2 TIP3 6858 67.244 19.732 30.402 1.00 0.00 WT1 H ATOM 20176 OH2 TIP3 6859 80.392 70.114 39.577 1.00 0.00 WT1 O ATOM 20177 H1 TIP3 6859 81.057 69.429 39.509 1.00 0.00 WT1 H ATOM 20178 H2 TIP3 6859 79.707 69.846 38.964 1.00 0.00 WT1 H ATOM 20179 OH2 TIP3 6860 76.964 27.987 43.963 1.00 0.00 WT1 O ATOM 20180 H1 TIP3 6860 77.910 28.078 44.073 1.00 0.00 WT1 H ATOM 20181 H2 TIP3 6860 76.712 28.734 43.420 1.00 0.00 WT1 H ATOM 20182 OH2 TIP3 6861 75.665 54.444 18.467 1.00 0.00 WT1 O ATOM 20183 H1 TIP3 6861 75.231 53.601 18.597 1.00 0.00 WT1 H ATOM 20184 H2 TIP3 6861 74.959 55.088 18.517 1.00 0.00 WT1 H ATOM 20185 OH2 TIP3 6862 75.193 37.494 38.810 1.00 0.00 WT1 O ATOM 20186 H1 TIP3 6862 75.611 37.871 38.036 1.00 0.00 WT1 H ATOM 20187 H2 TIP3 6862 75.762 37.747 39.537 1.00 0.00 WT1 H ATOM 20188 OH2 TIP3 6863 40.811 92.081 -18.399 1.00 0.00 WT1 O ATOM 20189 H1 TIP3 6863 41.742 92.189 -18.204 1.00 0.00 WT1 H ATOM 20190 H2 TIP3 6863 40.791 91.731 -19.289 1.00 0.00 WT1 H ATOM 20191 OH2 TIP3 6864 60.331 14.425 9.106 1.00 0.00 WT1 O ATOM 20192 H1 TIP3 6864 59.861 13.818 9.678 1.00 0.00 WT1 H ATOM 20193 H2 TIP3 6864 61.215 14.463 9.471 1.00 0.00 WT1 H ATOM 20194 OH2 TIP3 6865 84.335 64.065 33.744 1.00 0.00 WT1 O ATOM 20195 H1 TIP3 6865 85.072 64.403 33.235 1.00 0.00 WT1 H ATOM 20196 H2 TIP3 6865 83.732 63.714 33.089 1.00 0.00 WT1 H ATOM 20197 OH2 TIP3 6866 54.521 74.241 1.501 1.00 0.00 WT1 O ATOM 20198 H1 TIP3 6866 55.455 74.339 1.313 1.00 0.00 WT1 H ATOM 20199 H2 TIP3 6866 54.491 73.707 2.295 1.00 0.00 WT1 H ATOM 20200 OH2 TIP3 6867 30.219 3.214 32.706 1.00 0.00 WT1 O ATOM 20201 H1 TIP3 6867 31.131 3.160 32.420 1.00 0.00 WT1 H ATOM 20202 H2 TIP3 6867 30.027 2.346 33.060 1.00 0.00 WT1 H ATOM 20203 OH2 TIP3 6868 74.354 35.213 60.307 1.00 0.00 WT1 O ATOM 20204 H1 TIP3 6868 73.833 34.456 60.575 1.00 0.00 WT1 H ATOM 20205 H2 TIP3 6868 74.433 35.127 59.357 1.00 0.00 WT1 H ATOM 20206 OH2 TIP3 6869 21.459 48.099 16.878 1.00 0.00 WT1 O ATOM 20207 H1 TIP3 6869 21.527 48.565 17.711 1.00 0.00 WT1 H ATOM 20208 H2 TIP3 6869 21.044 48.726 16.285 1.00 0.00 WT1 H ATOM 20209 OH2 TIP3 6870 29.956 1.117 63.684 1.00 0.00 WT1 O ATOM 20210 H1 TIP3 6870 30.346 0.419 63.158 1.00 0.00 WT1 H ATOM 20211 H2 TIP3 6870 30.569 1.241 64.409 1.00 0.00 WT1 H ATOM 20212 OH2 TIP3 6872 36.024 25.048 22.104 1.00 0.00 WT1 O ATOM 20213 H1 TIP3 6872 35.717 24.142 22.077 1.00 0.00 WT1 H ATOM 20214 H2 TIP3 6872 35.334 25.548 21.669 1.00 0.00 WT1 H ATOM 20215 OH2 TIP3 6873 62.511 45.895 16.370 1.00 0.00 WT1 O ATOM 20216 H1 TIP3 6873 62.637 46.843 16.403 1.00 0.00 WT1 H ATOM 20217 H2 TIP3 6873 61.581 45.783 16.175 1.00 0.00 WT1 H ATOM 20218 OH2 TIP3 6874 20.703 80.697 0.417 1.00 0.00 WT1 O ATOM 20219 H1 TIP3 6874 21.102 80.070 -0.186 1.00 0.00 WT1 H ATOM 20220 H2 TIP3 6874 21.442 81.090 0.879 1.00 0.00 WT1 H ATOM 20221 OH2 TIP3 6875 23.328 46.645 15.619 1.00 0.00 WT1 O ATOM 20222 H1 TIP3 6875 22.778 47.078 16.272 1.00 0.00 WT1 H ATOM 20223 H2 TIP3 6875 23.333 45.725 15.883 1.00 0.00 WT1 H ATOM 20224 OH2 TIP3 6878 50.034 17.990 63.936 1.00 0.00 WT1 O ATOM 20225 H1 TIP3 6878 49.521 17.498 64.577 1.00 0.00 WT1 H ATOM 20226 H2 TIP3 6878 50.030 17.439 63.153 1.00 0.00 WT1 H ATOM 20227 OH2 TIP3 6879 55.719 28.309 65.873 1.00 0.00 WT1 O ATOM 20228 H1 TIP3 6879 56.477 28.772 66.231 1.00 0.00 WT1 H ATOM 20229 H2 TIP3 6879 56.046 27.897 65.073 1.00 0.00 WT1 H ATOM 20230 OH2 TIP3 6880 55.462 7.659 46.596 1.00 0.00 WT1 O ATOM 20231 H1 TIP3 6880 55.046 6.913 47.028 1.00 0.00 WT1 H ATOM 20232 H2 TIP3 6880 54.874 8.395 46.769 1.00 0.00 WT1 H ATOM 20233 OH2 TIP3 6883 26.846 84.461 39.996 1.00 0.00 WT1 O ATOM 20234 H1 TIP3 6883 26.434 83.972 39.284 1.00 0.00 WT1 H ATOM 20235 H2 TIP3 6883 26.648 83.953 40.782 1.00 0.00 WT1 H ATOM 20236 OH2 TIP3 6884 36.608 78.955 39.745 1.00 0.00 WT1 O ATOM 20237 H1 TIP3 6884 36.335 78.073 39.493 1.00 0.00 WT1 H ATOM 20238 H2 TIP3 6884 36.800 79.393 38.916 1.00 0.00 WT1 H ATOM 20239 OH2 TIP3 6886 76.180 40.470 25.259 1.00 0.00 WT1 O ATOM 20240 H1 TIP3 6886 75.421 40.284 25.811 1.00 0.00 WT1 H ATOM 20241 H2 TIP3 6886 76.019 39.979 24.454 1.00 0.00 WT1 H ATOM 20242 OH2 TIP3 6887 77.827 55.513 1.221 1.00 0.00 WT1 O ATOM 20243 H1 TIP3 6887 76.917 55.229 1.304 1.00 0.00 WT1 H ATOM 20244 H2 TIP3 6887 77.802 56.454 1.394 1.00 0.00 WT1 H ATOM 20245 OH2 TIP3 6888 53.697 15.809 6.396 1.00 0.00 WT1 O ATOM 20246 H1 TIP3 6888 53.022 16.473 6.253 1.00 0.00 WT1 H ATOM 20247 H2 TIP3 6888 54.511 16.231 6.121 1.00 0.00 WT1 H ATOM 20248 OH2 TIP3 6889 38.853 57.926 13.234 1.00 0.00 WT1 O ATOM 20249 H1 TIP3 6889 39.479 57.971 13.957 1.00 0.00 WT1 H ATOM 20250 H2 TIP3 6889 38.995 58.736 12.744 1.00 0.00 WT1 H ATOM 20251 OH2 TIP3 6890 77.759 50.615 21.351 1.00 0.00 WT1 O ATOM 20252 H1 TIP3 6890 76.808 50.515 21.403 1.00 0.00 WT1 H ATOM 20253 H2 TIP3 6890 78.107 49.795 21.700 1.00 0.00 WT1 H ATOM 20254 OH2 TIP3 6891 47.798 76.472 -1.136 1.00 0.00 WT1 O ATOM 20255 H1 TIP3 6891 48.616 76.262 -1.587 1.00 0.00 WT1 H ATOM 20256 H2 TIP3 6891 48.010 76.391 -0.206 1.00 0.00 WT1 H ATOM 20257 OH2 TIP3 6892 45.487 4.252 -12.934 1.00 0.00 WT1 O ATOM 20258 H1 TIP3 6892 44.617 4.553 -13.196 1.00 0.00 WT1 H ATOM 20259 H2 TIP3 6892 46.073 4.595 -13.608 1.00 0.00 WT1 H ATOM 20260 OH2 TIP3 6893 57.875 17.703 63.660 1.00 0.00 WT1 O ATOM 20261 H1 TIP3 6893 57.667 18.498 63.168 1.00 0.00 WT1 H ATOM 20262 H2 TIP3 6893 57.805 16.997 63.017 1.00 0.00 WT1 H ATOM 20263 OH2 TIP3 6894 59.850 45.418 15.885 1.00 0.00 WT1 O ATOM 20264 H1 TIP3 6894 59.517 44.851 15.189 1.00 0.00 WT1 H ATOM 20265 H2 TIP3 6894 59.145 45.444 16.532 1.00 0.00 WT1 H ATOM 20266 OH2 TIP3 6895 21.405 21.709 -19.745 1.00 0.00 WT1 O ATOM 20267 H1 TIP3 6895 22.281 21.870 -19.394 1.00 0.00 WT1 H ATOM 20268 H2 TIP3 6895 20.915 22.506 -19.540 1.00 0.00 WT1 H ATOM 20269 OH2 TIP3 6896 35.238 36.670 52.722 1.00 0.00 WT1 O ATOM 20270 H1 TIP3 6896 34.906 36.720 51.826 1.00 0.00 WT1 H ATOM 20271 H2 TIP3 6896 34.866 35.861 53.071 1.00 0.00 WT1 H ATOM 20272 OH2 TIP3 6897 73.205 50.698 30.650 1.00 0.00 WT1 O ATOM 20273 H1 TIP3 6897 72.399 50.405 31.076 1.00 0.00 WT1 H ATOM 20274 H2 TIP3 6897 73.460 51.484 31.134 1.00 0.00 WT1 H ATOM 20275 OH2 TIP3 6898 40.429 40.308 22.255 1.00 0.00 WT1 O ATOM 20276 H1 TIP3 6898 41.146 40.929 22.127 1.00 0.00 WT1 H ATOM 20277 H2 TIP3 6898 40.855 39.510 22.566 1.00 0.00 WT1 H ATOM 20278 OH2 TIP3 6899 41.139 49.194 54.729 1.00 0.00 WT1 O ATOM 20279 H1 TIP3 6899 41.222 48.305 54.386 1.00 0.00 WT1 H ATOM 20280 H2 TIP3 6899 40.816 49.708 53.989 1.00 0.00 WT1 H ATOM 20281 OH2 TIP3 6900 78.772 39.658 25.832 1.00 0.00 WT1 O ATOM 20282 H1 TIP3 6900 78.539 39.011 25.166 1.00 0.00 WT1 H ATOM 20283 H2 TIP3 6900 77.937 40.042 26.098 1.00 0.00 WT1 H ATOM 20284 OH2 TIP3 6902 54.037 50.216 25.022 1.00 0.00 WT1 O ATOM 20285 H1 TIP3 6902 54.139 50.289 24.074 1.00 0.00 WT1 H ATOM 20286 H2 TIP3 6902 54.856 49.824 25.323 1.00 0.00 WT1 H ATOM 20287 OH2 TIP3 6903 86.638 49.754 22.139 1.00 0.00 WT1 O ATOM 20288 H1 TIP3 6903 86.785 50.212 21.312 1.00 0.00 WT1 H ATOM 20289 H2 TIP3 6903 85.926 50.238 22.558 1.00 0.00 WT1 H ATOM 20290 OH2 TIP3 6905 72.528 90.787 56.546 1.00 0.00 WT1 O ATOM 20291 H1 TIP3 6905 72.111 89.927 56.603 1.00 0.00 WT1 H ATOM 20292 H2 TIP3 6905 73.441 90.627 56.783 1.00 0.00 WT1 H ATOM 20293 OH2 TIP3 6906 57.264 22.992 50.812 1.00 0.00 WT1 O ATOM 20294 H1 TIP3 6906 57.830 22.573 51.461 1.00 0.00 WT1 H ATOM 20295 H2 TIP3 6906 56.409 23.047 51.240 1.00 0.00 WT1 H ATOM 20296 OH2 TIP3 6907 24.372 66.163 25.947 1.00 0.00 WT1 O ATOM 20297 H1 TIP3 6907 24.175 66.479 26.829 1.00 0.00 WT1 H ATOM 20298 H2 TIP3 6907 23.694 65.511 25.770 1.00 0.00 WT1 H ATOM 20299 OH2 TIP3 6908 63.507 32.818 6.462 1.00 0.00 WT1 O ATOM 20300 H1 TIP3 6908 62.813 33.422 6.198 1.00 0.00 WT1 H ATOM 20301 H2 TIP3 6908 63.078 32.206 7.059 1.00 0.00 WT1 H ATOM 20302 OH2 TIP3 6909 59.427 87.876 -7.882 1.00 0.00 WT1 O ATOM 20303 H1 TIP3 6909 59.790 87.076 -7.501 1.00 0.00 WT1 H ATOM 20304 H2 TIP3 6909 58.620 87.593 -8.310 1.00 0.00 WT1 H ATOM 20305 OH2 TIP3 6910 77.694 76.752 -17.706 1.00 0.00 WT1 O ATOM 20306 H1 TIP3 6910 78.252 77.499 -17.487 1.00 0.00 WT1 H ATOM 20307 H2 TIP3 6910 77.827 76.622 -18.645 1.00 0.00 WT1 H ATOM 20308 OH2 TIP3 6911 34.141 80.043 -1.004 1.00 0.00 WT1 O ATOM 20309 H1 TIP3 6911 34.630 80.014 -1.826 1.00 0.00 WT1 H ATOM 20310 H2 TIP3 6911 34.748 80.438 -0.378 1.00 0.00 WT1 H ATOM 20311 OH2 TIP3 6912 54.422 10.578 33.397 1.00 0.00 WT1 O ATOM 20312 H1 TIP3 6912 53.787 10.061 32.901 1.00 0.00 WT1 H ATOM 20313 H2 TIP3 6912 55.189 10.011 33.471 1.00 0.00 WT1 H ATOM 20314 OH2 TIP3 6913 75.283 75.633 11.498 1.00 0.00 WT1 O ATOM 20315 H1 TIP3 6913 75.495 74.957 12.143 1.00 0.00 WT1 H ATOM 20316 H2 TIP3 6913 76.118 76.066 11.321 1.00 0.00 WT1 H ATOM 20317 OH2 TIP3 6914 67.164 77.066 39.311 1.00 0.00 WT1 O ATOM 20318 H1 TIP3 6914 66.567 76.756 38.630 1.00 0.00 WT1 H ATOM 20319 H2 TIP3 6914 67.639 76.283 39.587 1.00 0.00 WT1 H ATOM 20320 OH2 TIP3 6915 40.633 62.311 -15.730 1.00 0.00 WT1 O ATOM 20321 H1 TIP3 6915 40.480 62.932 -15.018 1.00 0.00 WT1 H ATOM 20322 H2 TIP3 6915 41.329 62.711 -16.252 1.00 0.00 WT1 H ATOM 20323 OH2 TIP3 6916 46.633 27.636 -11.496 1.00 0.00 WT1 O ATOM 20324 H1 TIP3 6916 45.906 28.185 -11.202 1.00 0.00 WT1 H ATOM 20325 H2 TIP3 6916 47.418 28.114 -11.229 1.00 0.00 WT1 H ATOM 20326 OH2 TIP3 6917 56.690 16.117 43.882 1.00 0.00 WT1 O ATOM 20327 H1 TIP3 6917 55.887 15.677 43.604 1.00 0.00 WT1 H ATOM 20328 H2 TIP3 6917 56.887 16.729 43.173 1.00 0.00 WT1 H ATOM 20329 OH2 TIP3 6919 22.958 33.609 -18.230 1.00 0.00 WT1 O ATOM 20330 H1 TIP3 6919 23.059 34.478 -17.841 1.00 0.00 WT1 H ATOM 20331 H2 TIP3 6919 23.793 33.172 -18.062 1.00 0.00 WT1 H ATOM 20332 OH2 TIP3 6920 67.979 56.822 16.610 1.00 0.00 WT1 O ATOM 20333 H1 TIP3 6920 67.217 56.570 17.132 1.00 0.00 WT1 H ATOM 20334 H2 TIP3 6920 67.664 56.815 15.707 1.00 0.00 WT1 H ATOM 20335 OH2 TIP3 6921 87.344 54.754 18.159 1.00 0.00 WT1 O ATOM 20336 H1 TIP3 6921 86.532 54.656 18.656 1.00 0.00 WT1 H ATOM 20337 H2 TIP3 6921 87.196 54.251 17.358 1.00 0.00 WT1 H ATOM 20338 OH2 TIP3 6922 39.149 41.159 3.355 1.00 0.00 WT1 O ATOM 20339 H1 TIP3 6922 38.520 40.617 3.832 1.00 0.00 WT1 H ATOM 20340 H2 TIP3 6922 38.672 41.452 2.579 1.00 0.00 WT1 H ATOM 20341 OH2 TIP3 6923 31.660 48.416 14.735 1.00 0.00 WT1 O ATOM 20342 H1 TIP3 6923 32.090 49.058 15.299 1.00 0.00 WT1 H ATOM 20343 H2 TIP3 6923 32.379 47.934 14.327 1.00 0.00 WT1 H ATOM 20344 OH2 TIP3 6924 37.130 33.163 21.183 1.00 0.00 WT1 O ATOM 20345 H1 TIP3 6924 37.459 34.008 21.490 1.00 0.00 WT1 H ATOM 20346 H2 TIP3 6924 36.978 33.290 20.247 1.00 0.00 WT1 H ATOM 20347 OH2 TIP3 6925 22.608 64.368 51.930 1.00 0.00 WT1 O ATOM 20348 H1 TIP3 6925 22.200 63.508 51.825 1.00 0.00 WT1 H ATOM 20349 H2 TIP3 6925 23.387 64.201 52.460 1.00 0.00 WT1 H ATOM 20350 OH2 TIP3 6927 86.302 52.311 -4.235 1.00 0.00 WT1 O ATOM 20351 H1 TIP3 6927 86.267 51.381 -4.459 1.00 0.00 WT1 H ATOM 20352 H2 TIP3 6927 85.634 52.421 -3.559 1.00 0.00 WT1 H ATOM 20353 OH2 TIP3 6928 66.511 83.473 41.000 1.00 0.00 WT1 O ATOM 20354 H1 TIP3 6928 65.916 84.175 41.263 1.00 0.00 WT1 H ATOM 20355 H2 TIP3 6928 66.492 82.856 41.731 1.00 0.00 WT1 H ATOM 20356 OH2 TIP3 6929 81.909 46.342 61.856 1.00 0.00 WT1 O ATOM 20357 H1 TIP3 6929 81.853 47.172 62.329 1.00 0.00 WT1 H ATOM 20358 H2 TIP3 6929 81.017 45.996 61.870 1.00 0.00 WT1 H ATOM 20359 OH2 TIP3 6930 85.282 25.685 42.050 1.00 0.00 WT1 O ATOM 20360 H1 TIP3 6930 85.488 26.396 42.657 1.00 0.00 WT1 H ATOM 20361 H2 TIP3 6930 86.012 25.678 41.431 1.00 0.00 WT1 H ATOM 20362 OH2 TIP3 6931 38.530 68.355 38.752 1.00 0.00 WT1 O ATOM 20363 H1 TIP3 6931 38.715 69.282 38.902 1.00 0.00 WT1 H ATOM 20364 H2 TIP3 6931 39.022 68.137 37.961 1.00 0.00 WT1 H ATOM 20365 OH2 TIP3 6932 31.212 18.680 50.478 1.00 0.00 WT1 O ATOM 20366 H1 TIP3 6932 31.191 18.459 49.547 1.00 0.00 WT1 H ATOM 20367 H2 TIP3 6932 30.450 18.235 50.848 1.00 0.00 WT1 H ATOM 20368 OH2 TIP3 6933 32.986 27.960 36.895 1.00 0.00 WT1 O ATOM 20369 H1 TIP3 6933 33.779 28.241 36.439 1.00 0.00 WT1 H ATOM 20370 H2 TIP3 6933 33.053 28.359 37.762 1.00 0.00 WT1 H ATOM 20371 OH2 TIP3 6934 90.094 44.177 40.502 1.00 0.00 WT1 O ATOM 20372 H1 TIP3 6934 89.578 44.975 40.614 1.00 0.00 WT1 H ATOM 20373 H2 TIP3 6934 90.512 44.278 39.648 1.00 0.00 WT1 H ATOM 20374 OH2 TIP3 6935 85.048 26.203 56.002 1.00 0.00 WT1 O ATOM 20375 H1 TIP3 6935 85.386 26.529 55.168 1.00 0.00 WT1 H ATOM 20376 H2 TIP3 6935 84.194 25.828 55.784 1.00 0.00 WT1 H ATOM 20377 OH2 TIP3 6936 46.225 66.530 -14.745 1.00 0.00 WT1 O ATOM 20378 H1 TIP3 6936 45.932 65.733 -15.188 1.00 0.00 WT1 H ATOM 20379 H2 TIP3 6936 45.513 66.745 -14.143 1.00 0.00 WT1 H ATOM 20380 OH2 TIP3 6937 39.370 88.131 43.603 1.00 0.00 WT1 O ATOM 20381 H1 TIP3 6937 38.672 87.752 44.137 1.00 0.00 WT1 H ATOM 20382 H2 TIP3 6937 39.590 87.444 42.973 1.00 0.00 WT1 H ATOM 20383 OH2 TIP3 6938 23.326 73.213 -16.022 1.00 0.00 WT1 O ATOM 20384 H1 TIP3 6938 24.160 73.586 -16.308 1.00 0.00 WT1 H ATOM 20385 H2 TIP3 6938 23.322 73.336 -15.072 1.00 0.00 WT1 H ATOM 20386 OH2 TIP3 6940 76.855 66.812 39.851 1.00 0.00 WT1 O ATOM 20387 H1 TIP3 6940 76.796 67.052 40.775 1.00 0.00 WT1 H ATOM 20388 H2 TIP3 6940 76.434 67.535 39.387 1.00 0.00 WT1 H ATOM 20389 OH2 TIP3 6941 60.623 25.737 33.314 1.00 0.00 WT1 O ATOM 20390 H1 TIP3 6941 60.005 25.010 33.233 1.00 0.00 WT1 H ATOM 20391 H2 TIP3 6941 61.318 25.532 32.689 1.00 0.00 WT1 H ATOM 20392 OH2 TIP3 6943 27.274 50.354 15.646 1.00 0.00 WT1 O ATOM 20393 H1 TIP3 6943 28.172 50.205 15.943 1.00 0.00 WT1 H ATOM 20394 H2 TIP3 6943 26.960 49.487 15.387 1.00 0.00 WT1 H ATOM 20395 OH2 TIP3 6944 38.767 6.170 -0.228 1.00 0.00 WT1 O ATOM 20396 H1 TIP3 6944 39.484 6.741 0.046 1.00 0.00 WT1 H ATOM 20397 H2 TIP3 6944 39.003 5.307 0.112 1.00 0.00 WT1 H ATOM 20398 OH2 TIP3 6945 84.038 8.720 38.077 1.00 0.00 WT1 O ATOM 20399 H1 TIP3 6945 83.713 8.082 37.442 1.00 0.00 WT1 H ATOM 20400 H2 TIP3 6945 83.257 9.005 38.551 1.00 0.00 WT1 H ATOM 20401 OH2 TIP3 6946 79.846 5.977 33.951 1.00 0.00 WT1 O ATOM 20402 H1 TIP3 6946 79.989 5.236 34.540 1.00 0.00 WT1 H ATOM 20403 H2 TIP3 6946 80.080 5.644 33.085 1.00 0.00 WT1 H ATOM 20404 OH2 TIP3 6947 27.487 40.487 66.118 1.00 0.00 WT1 O ATOM 20405 H1 TIP3 6947 26.546 40.388 66.259 1.00 0.00 WT1 H ATOM 20406 H2 TIP3 6947 27.818 39.591 66.062 1.00 0.00 WT1 H ATOM 20407 OH2 TIP3 6949 85.915 60.304 18.442 1.00 0.00 WT1 O ATOM 20408 H1 TIP3 6949 86.362 60.036 17.639 1.00 0.00 WT1 H ATOM 20409 H2 TIP3 6949 85.710 61.229 18.305 1.00 0.00 WT1 H ATOM 20410 OH2 TIP3 6950 76.995 50.822 62.345 1.00 0.00 WT1 O ATOM 20411 H1 TIP3 6950 77.688 51.323 62.775 1.00 0.00 WT1 H ATOM 20412 H2 TIP3 6950 76.214 50.992 62.871 1.00 0.00 WT1 H ATOM 20413 OH2 TIP3 6951 32.861 45.166 49.047 1.00 0.00 WT1 O ATOM 20414 H1 TIP3 6951 33.380 45.888 49.402 1.00 0.00 WT1 H ATOM 20415 H2 TIP3 6951 33.225 44.383 49.460 1.00 0.00 WT1 H ATOM 20416 OH2 TIP3 6952 46.600 62.079 48.545 1.00 0.00 WT1 O ATOM 20417 H1 TIP3 6952 46.684 61.622 47.708 1.00 0.00 WT1 H ATOM 20418 H2 TIP3 6952 46.848 62.983 48.351 1.00 0.00 WT1 H ATOM 20419 OH2 TIP3 6953 60.283 40.728 59.674 1.00 0.00 WT1 O ATOM 20420 H1 TIP3 6953 60.419 39.815 59.420 1.00 0.00 WT1 H ATOM 20421 H2 TIP3 6953 61.120 41.155 59.494 1.00 0.00 WT1 H ATOM 20422 OH2 TIP3 6954 38.453 62.780 0.981 1.00 0.00 WT1 O ATOM 20423 H1 TIP3 6954 38.316 63.706 1.182 1.00 0.00 WT1 H ATOM 20424 H2 TIP3 6954 38.678 62.767 0.051 1.00 0.00 WT1 H ATOM 20425 OH2 TIP3 6955 73.829 86.324 21.148 1.00 0.00 WT1 O ATOM 20426 H1 TIP3 6955 73.691 85.459 20.762 1.00 0.00 WT1 H ATOM 20427 H2 TIP3 6955 74.297 86.150 21.965 1.00 0.00 WT1 H ATOM 20428 OH2 TIP3 6957 44.223 39.478 -14.873 1.00 0.00 WT1 O ATOM 20429 H1 TIP3 6957 43.844 40.091 -14.242 1.00 0.00 WT1 H ATOM 20430 H2 TIP3 6957 45.163 39.651 -14.840 1.00 0.00 WT1 H ATOM 20431 OH2 TIP3 6958 32.602 24.225 16.470 1.00 0.00 WT1 O ATOM 20432 H1 TIP3 6958 33.135 24.920 16.856 1.00 0.00 WT1 H ATOM 20433 H2 TIP3 6958 31.791 24.232 16.979 1.00 0.00 WT1 H ATOM 20434 OH2 TIP3 6959 84.895 33.176 21.894 1.00 0.00 WT1 O ATOM 20435 H1 TIP3 6959 85.566 33.481 22.505 1.00 0.00 WT1 H ATOM 20436 H2 TIP3 6959 85.276 33.320 21.028 1.00 0.00 WT1 H ATOM 20437 OH2 TIP3 6963 73.004 18.990 2.289 1.00 0.00 WT1 O ATOM 20438 H1 TIP3 6963 72.912 19.704 1.658 1.00 0.00 WT1 H ATOM 20439 H2 TIP3 6963 73.392 19.401 3.062 1.00 0.00 WT1 H ATOM 20440 OH2 TIP3 6964 38.385 46.110 55.909 1.00 0.00 WT1 O ATOM 20441 H1 TIP3 6964 37.883 45.324 55.696 1.00 0.00 WT1 H ATOM 20442 H2 TIP3 6964 39.047 45.810 56.532 1.00 0.00 WT1 H ATOM 20443 OH2 TIP3 6965 40.090 58.318 57.754 1.00 0.00 WT1 O ATOM 20444 H1 TIP3 6965 40.901 58.207 58.251 1.00 0.00 WT1 H ATOM 20445 H2 TIP3 6965 39.410 57.953 58.321 1.00 0.00 WT1 H ATOM 20446 OH2 TIP3 6967 28.008 44.262 60.635 1.00 0.00 WT1 O ATOM 20447 H1 TIP3 6967 28.187 45.060 61.133 1.00 0.00 WT1 H ATOM 20448 H2 TIP3 6967 28.860 44.002 60.284 1.00 0.00 WT1 H ATOM 20449 OH2 TIP3 6968 44.647 82.246 29.303 1.00 0.00 WT1 O ATOM 20450 H1 TIP3 6968 45.574 82.006 29.283 1.00 0.00 WT1 H ATOM 20451 H2 TIP3 6968 44.648 83.200 29.378 1.00 0.00 WT1 H ATOM 20452 OH2 TIP3 6969 58.087 41.056 23.769 1.00 0.00 WT1 O ATOM 20453 H1 TIP3 6969 57.657 41.405 22.989 1.00 0.00 WT1 H ATOM 20454 H2 TIP3 6969 57.717 41.561 24.493 1.00 0.00 WT1 H ATOM 20455 OH2 TIP3 6970 29.457 10.852 66.184 1.00 0.00 WT1 O ATOM 20456 H1 TIP3 6970 30.404 10.937 66.290 1.00 0.00 WT1 H ATOM 20457 H2 TIP3 6970 29.203 10.186 66.823 1.00 0.00 WT1 H ATOM 20458 OH2 TIP3 6971 62.559 9.971 -0.673 1.00 0.00 WT1 O ATOM 20459 H1 TIP3 6971 62.492 10.901 -0.888 1.00 0.00 WT1 H ATOM 20460 H2 TIP3 6971 63.456 9.733 -0.911 1.00 0.00 WT1 H ATOM 20461 OH2 TIP3 6972 76.976 95.269 50.596 1.00 0.00 WT1 O ATOM 20462 H1 TIP3 6972 76.949 96.143 50.985 1.00 0.00 WT1 H ATOM 20463 H2 TIP3 6972 76.580 94.700 51.256 1.00 0.00 WT1 H ATOM 20464 OH2 TIP3 6973 67.463 29.143 34.301 1.00 0.00 WT1 O ATOM 20465 H1 TIP3 6973 67.715 28.435 34.894 1.00 0.00 WT1 H ATOM 20466 H2 TIP3 6973 66.506 29.149 34.327 1.00 0.00 WT1 H ATOM 20467 OH2 TIP3 6974 79.153 70.500 -16.930 1.00 0.00 WT1 O ATOM 20468 H1 TIP3 6974 80.069 70.663 -16.703 1.00 0.00 WT1 H ATOM 20469 H2 TIP3 6974 79.191 69.821 -17.604 1.00 0.00 WT1 H ATOM 20470 OH2 TIP3 6975 65.562 33.190 -15.401 1.00 0.00 WT1 O ATOM 20471 H1 TIP3 6975 65.514 32.239 -15.498 1.00 0.00 WT1 H ATOM 20472 H2 TIP3 6975 65.731 33.327 -14.469 1.00 0.00 WT1 H ATOM 20473 OH2 TIP3 6976 87.318 92.805 63.438 1.00 0.00 WT1 O ATOM 20474 H1 TIP3 6976 86.462 93.218 63.555 1.00 0.00 WT1 H ATOM 20475 H2 TIP3 6976 87.770 92.949 64.269 1.00 0.00 WT1 H ATOM 20476 OH2 TIP3 6977 34.280 43.823 -13.343 1.00 0.00 WT1 O ATOM 20477 H1 TIP3 6977 34.806 44.543 -12.997 1.00 0.00 WT1 H ATOM 20478 H2 TIP3 6977 33.635 44.247 -13.908 1.00 0.00 WT1 H ATOM 20479 OH2 TIP3 6978 68.638 3.006 56.598 1.00 0.00 WT1 O ATOM 20480 H1 TIP3 6978 69.370 3.575 56.360 1.00 0.00 WT1 H ATOM 20481 H2 TIP3 6978 69.053 2.207 56.924 1.00 0.00 WT1 H ATOM 20482 OH2 TIP3 6979 63.164 24.246 66.896 1.00 0.00 WT1 O ATOM 20483 H1 TIP3 6979 62.842 24.822 67.589 1.00 0.00 WT1 H ATOM 20484 H2 TIP3 6979 62.988 24.724 66.085 1.00 0.00 WT1 H ATOM 20485 OH2 TIP3 6980 30.643 67.075 2.689 1.00 0.00 WT1 O ATOM 20486 H1 TIP3 6980 30.744 67.877 3.202 1.00 0.00 WT1 H ATOM 20487 H2 TIP3 6980 29.731 67.090 2.398 1.00 0.00 WT1 H ATOM 20488 OH2 TIP3 6983 31.842 47.397 -15.584 1.00 0.00 WT1 O ATOM 20489 H1 TIP3 6983 32.444 48.138 -15.510 1.00 0.00 WT1 H ATOM 20490 H2 TIP3 6983 31.025 47.713 -15.199 1.00 0.00 WT1 H ATOM 20491 OH2 TIP3 6985 25.914 65.610 7.049 1.00 0.00 WT1 O ATOM 20492 H1 TIP3 6985 25.102 65.433 7.523 1.00 0.00 WT1 H ATOM 20493 H2 TIP3 6985 25.966 66.565 7.008 1.00 0.00 WT1 H ATOM 20494 OH2 TIP3 6987 65.151 60.946 41.330 1.00 0.00 WT1 O ATOM 20495 H1 TIP3 6987 65.430 60.305 40.677 1.00 0.00 WT1 H ATOM 20496 H2 TIP3 6987 64.258 60.685 41.556 1.00 0.00 WT1 H ATOM 20497 OH2 TIP3 6988 88.427 77.140 40.764 1.00 0.00 WT1 O ATOM 20498 H1 TIP3 6988 89.265 77.412 40.389 1.00 0.00 WT1 H ATOM 20499 H2 TIP3 6988 87.891 77.932 40.754 1.00 0.00 WT1 H ATOM 20500 OH2 TIP3 6989 26.011 34.044 28.758 1.00 0.00 WT1 O ATOM 20501 H1 TIP3 6989 25.328 34.393 28.185 1.00 0.00 WT1 H ATOM 20502 H2 TIP3 6989 26.832 34.280 28.324 1.00 0.00 WT1 H ATOM 20503 OH2 TIP3 6991 55.985 42.393 22.497 1.00 0.00 WT1 O ATOM 20504 H1 TIP3 6991 56.556 42.192 21.756 1.00 0.00 WT1 H ATOM 20505 H2 TIP3 6991 55.937 43.349 22.510 1.00 0.00 WT1 H ATOM 20506 OH2 TIP3 6992 50.926 83.359 25.517 1.00 0.00 WT1 O ATOM 20507 H1 TIP3 6992 50.592 82.512 25.222 1.00 0.00 WT1 H ATOM 20508 H2 TIP3 6992 51.113 83.233 26.447 1.00 0.00 WT1 H ATOM 20509 OH2 TIP3 6993 81.925 56.189 16.724 1.00 0.00 WT1 O ATOM 20510 H1 TIP3 6993 82.271 56.243 17.615 1.00 0.00 WT1 H ATOM 20511 H2 TIP3 6993 82.060 55.276 16.469 1.00 0.00 WT1 H ATOM 20512 OH2 TIP3 6994 62.693 93.229 16.168 1.00 0.00 WT1 O ATOM 20513 H1 TIP3 6994 62.376 92.627 15.494 1.00 0.00 WT1 H ATOM 20514 H2 TIP3 6994 63.388 93.726 15.737 1.00 0.00 WT1 H ATOM 20515 OH2 TIP3 6995 64.879 30.054 21.564 1.00 0.00 WT1 O ATOM 20516 H1 TIP3 6995 65.764 30.066 21.199 1.00 0.00 WT1 H ATOM 20517 H2 TIP3 6995 64.896 29.349 22.211 1.00 0.00 WT1 H ATOM 20518 OH2 TIP3 6997 90.511 74.610 25.640 1.00 0.00 WT1 O ATOM 20519 H1 TIP3 6997 90.092 74.418 24.801 1.00 0.00 WT1 H ATOM 20520 H2 TIP3 6997 91.252 75.172 25.416 1.00 0.00 WT1 H ATOM 20521 OH2 TIP3 6998 26.640 70.849 45.996 1.00 0.00 WT1 O ATOM 20522 H1 TIP3 6998 27.445 70.357 45.830 1.00 0.00 WT1 H ATOM 20523 H2 TIP3 6998 26.198 70.879 45.148 1.00 0.00 WT1 H ATOM 20524 OH2 TIP3 6999 70.576 2.075 -9.700 1.00 0.00 WT1 O ATOM 20525 H1 TIP3 6999 70.701 1.128 -9.759 1.00 0.00 WT1 H ATOM 20526 H2 TIP3 6999 69.627 2.188 -9.643 1.00 0.00 WT1 H ATOM 20527 OH2 TIP3 7000 71.484 63.642 -13.168 1.00 0.00 WT1 O ATOM 20528 H1 TIP3 7000 70.631 63.611 -13.601 1.00 0.00 WT1 H ATOM 20529 H2 TIP3 7000 71.278 63.662 -12.234 1.00 0.00 WT1 H ATOM 20530 OH2 TIP3 7001 82.185 71.499 14.074 1.00 0.00 WT1 O ATOM 20531 H1 TIP3 7001 82.730 70.894 13.571 1.00 0.00 WT1 H ATOM 20532 H2 TIP3 7001 81.618 70.931 14.597 1.00 0.00 WT1 H ATOM 20533 OH2 TIP3 7002 33.938 53.736 -6.084 1.00 0.00 WT1 O ATOM 20534 H1 TIP3 7002 33.438 53.953 -6.871 1.00 0.00 WT1 H ATOM 20535 H2 TIP3 7002 33.325 53.244 -5.538 1.00 0.00 WT1 H ATOM 20536 OH2 TIP3 7003 69.455 33.721 22.536 1.00 0.00 WT1 O ATOM 20537 H1 TIP3 7003 68.636 33.534 22.994 1.00 0.00 WT1 H ATOM 20538 H2 TIP3 7003 69.423 34.662 22.361 1.00 0.00 WT1 H ATOM 20539 OH2 TIP3 7004 27.758 75.684 -4.214 1.00 0.00 WT1 O ATOM 20540 H1 TIP3 7004 28.548 76.221 -4.146 1.00 0.00 WT1 H ATOM 20541 H2 TIP3 7004 28.068 74.844 -4.552 1.00 0.00 WT1 H ATOM 20542 OH2 TIP3 7005 88.017 47.106 17.419 1.00 0.00 WT1 O ATOM 20543 H1 TIP3 7005 88.473 46.842 16.620 1.00 0.00 WT1 H ATOM 20544 H2 TIP3 7005 87.112 47.253 17.142 1.00 0.00 WT1 H ATOM 20545 OH2 TIP3 7006 64.787 71.820 37.376 1.00 0.00 WT1 O ATOM 20546 H1 TIP3 7006 63.921 72.125 37.105 1.00 0.00 WT1 H ATOM 20547 H2 TIP3 7006 65.025 71.163 36.721 1.00 0.00 WT1 H ATOM 20548 OH2 TIP3 7007 33.357 66.099 -7.973 1.00 0.00 WT1 O ATOM 20549 H1 TIP3 7007 32.578 65.750 -7.541 1.00 0.00 WT1 H ATOM 20550 H2 TIP3 7007 33.139 66.094 -8.904 1.00 0.00 WT1 H ATOM 20551 OH2 TIP3 7008 53.214 65.427 55.825 1.00 0.00 WT1 O ATOM 20552 H1 TIP3 7008 53.472 64.712 55.243 1.00 0.00 WT1 H ATOM 20553 H2 TIP3 7008 53.073 66.172 55.242 1.00 0.00 WT1 H ATOM 20554 OH2 TIP3 7009 88.620 74.902 12.980 1.00 0.00 WT1 O ATOM 20555 H1 TIP3 7009 88.026 75.233 13.654 1.00 0.00 WT1 H ATOM 20556 H2 TIP3 7009 89.248 74.361 13.458 1.00 0.00 WT1 H ATOM 20557 OH2 TIP3 7010 20.678 62.980 29.720 1.00 0.00 WT1 O ATOM 20558 H1 TIP3 7010 20.447 63.120 30.638 1.00 0.00 WT1 H ATOM 20559 H2 TIP3 7010 20.148 63.614 29.239 1.00 0.00 WT1 H ATOM 20560 OH2 TIP3 7011 60.007 77.257 64.752 1.00 0.00 WT1 O ATOM 20561 H1 TIP3 7011 60.082 76.683 63.990 1.00 0.00 WT1 H ATOM 20562 H2 TIP3 7011 60.647 76.912 65.376 1.00 0.00 WT1 H ATOM 20563 OH2 TIP3 7012 71.404 32.073 -18.929 1.00 0.00 WT1 O ATOM 20564 H1 TIP3 7012 70.528 31.689 -18.953 1.00 0.00 WT1 H ATOM 20565 H2 TIP3 7012 71.960 31.430 -19.371 1.00 0.00 WT1 H ATOM 20566 OH2 TIP3 7013 23.096 36.666 2.339 1.00 0.00 WT1 O ATOM 20567 H1 TIP3 7013 23.937 37.079 2.535 1.00 0.00 WT1 H ATOM 20568 H2 TIP3 7013 22.751 36.406 3.193 1.00 0.00 WT1 H ATOM 20569 OH2 TIP3 7014 80.267 58.222 10.435 1.00 0.00 WT1 O ATOM 20570 H1 TIP3 7014 80.368 57.287 10.258 1.00 0.00 WT1 H ATOM 20571 H2 TIP3 7014 80.004 58.265 11.354 1.00 0.00 WT1 H ATOM 20572 OH2 TIP3 7015 71.092 40.165 23.289 1.00 0.00 WT1 O ATOM 20573 H1 TIP3 7015 70.214 39.881 23.034 1.00 0.00 WT1 H ATOM 20574 H2 TIP3 7015 70.975 41.066 23.588 1.00 0.00 WT1 H ATOM 20575 OH2 TIP3 7016 35.973 28.179 26.482 1.00 0.00 WT1 O ATOM 20576 H1 TIP3 7016 36.460 28.307 25.667 1.00 0.00 WT1 H ATOM 20577 H2 TIP3 7016 36.593 28.414 27.172 1.00 0.00 WT1 H ATOM 20578 OH2 TIP3 7017 73.039 2.772 -2.298 1.00 0.00 WT1 O ATOM 20579 H1 TIP3 7017 72.817 3.567 -1.813 1.00 0.00 WT1 H ATOM 20580 H2 TIP3 7017 73.258 3.081 -3.177 1.00 0.00 WT1 H ATOM 20581 OH2 TIP3 7018 63.577 35.743 19.513 1.00 0.00 WT1 O ATOM 20582 H1 TIP3 7018 62.690 35.383 19.530 1.00 0.00 WT1 H ATOM 20583 H2 TIP3 7018 63.468 36.662 19.756 1.00 0.00 WT1 H ATOM 20584 OH2 TIP3 7019 64.244 69.194 -0.080 1.00 0.00 WT1 O ATOM 20585 H1 TIP3 7019 63.440 69.490 0.348 1.00 0.00 WT1 H ATOM 20586 H2 TIP3 7019 63.943 68.656 -0.812 1.00 0.00 WT1 H ATOM 20587 OH2 TIP3 7020 54.959 28.048 -2.096 1.00 0.00 WT1 O ATOM 20588 H1 TIP3 7020 54.325 28.756 -1.983 1.00 0.00 WT1 H ATOM 20589 H2 TIP3 7020 55.789 28.494 -2.266 1.00 0.00 WT1 H ATOM 20590 OH2 TIP3 7021 37.896 83.074 66.725 1.00 0.00 WT1 O ATOM 20591 H1 TIP3 7021 38.045 82.954 67.663 1.00 0.00 WT1 H ATOM 20592 H2 TIP3 7021 37.514 82.245 66.435 1.00 0.00 WT1 H ATOM 20593 OH2 TIP3 7023 53.212 6.061 29.802 1.00 0.00 WT1 O ATOM 20594 H1 TIP3 7023 52.547 6.749 29.816 1.00 0.00 WT1 H ATOM 20595 H2 TIP3 7023 53.468 5.956 30.719 1.00 0.00 WT1 H ATOM 20596 OH2 TIP3 7024 41.849 27.611 64.640 1.00 0.00 WT1 O ATOM 20597 H1 TIP3 7024 41.633 27.823 65.548 1.00 0.00 WT1 H ATOM 20598 H2 TIP3 7024 42.398 26.829 64.701 1.00 0.00 WT1 H ATOM 20599 OH2 TIP3 7025 27.217 93.193 34.672 1.00 0.00 WT1 O ATOM 20600 H1 TIP3 7025 26.763 93.197 33.830 1.00 0.00 WT1 H ATOM 20601 H2 TIP3 7025 26.691 92.616 35.226 1.00 0.00 WT1 H ATOM 20602 OH2 TIP3 7026 63.366 29.209 62.331 1.00 0.00 WT1 O ATOM 20603 H1 TIP3 7026 63.653 28.641 63.046 1.00 0.00 WT1 H ATOM 20604 H2 TIP3 7026 62.948 29.952 62.767 1.00 0.00 WT1 H ATOM 20605 OH2 TIP3 7027 83.249 90.557 53.753 1.00 0.00 WT1 O ATOM 20606 H1 TIP3 7027 83.100 90.330 52.835 1.00 0.00 WT1 H ATOM 20607 H2 TIP3 7027 83.178 91.511 53.780 1.00 0.00 WT1 H ATOM 20608 OH2 TIP3 7028 55.019 68.473 46.626 1.00 0.00 WT1 O ATOM 20609 H1 TIP3 7028 54.391 69.031 46.165 1.00 0.00 WT1 H ATOM 20610 H2 TIP3 7028 55.875 68.825 46.384 1.00 0.00 WT1 H ATOM 20611 OH2 TIP3 7029 54.794 71.414 47.796 1.00 0.00 WT1 O ATOM 20612 H1 TIP3 7029 54.307 71.045 47.060 1.00 0.00 WT1 H ATOM 20613 H2 TIP3 7029 55.665 71.024 47.727 1.00 0.00 WT1 H ATOM 20614 OH2 TIP3 7030 66.043 58.829 30.061 1.00 0.00 WT1 O ATOM 20615 H1 TIP3 7030 65.781 59.712 30.321 1.00 0.00 WT1 H ATOM 20616 H2 TIP3 7030 66.192 58.369 30.887 1.00 0.00 WT1 H ATOM 20617 OH2 TIP3 7031 71.936 70.638 55.068 1.00 0.00 WT1 O ATOM 20618 H1 TIP3 7031 71.438 69.830 55.186 1.00 0.00 WT1 H ATOM 20619 H2 TIP3 7031 71.317 71.335 55.285 1.00 0.00 WT1 H ATOM 20620 OH2 TIP3 7033 86.907 83.152 37.972 1.00 0.00 WT1 O ATOM 20621 H1 TIP3 7033 86.363 83.927 37.829 1.00 0.00 WT1 H ATOM 20622 H2 TIP3 7033 86.875 82.680 37.140 1.00 0.00 WT1 H ATOM 20623 OH2 TIP3 7034 50.410 72.315 27.587 1.00 0.00 WT1 O ATOM 20624 H1 TIP3 7034 50.962 72.140 26.825 1.00 0.00 WT1 H ATOM 20625 H2 TIP3 7034 49.746 71.626 27.566 1.00 0.00 WT1 H ATOM 20626 OH2 TIP3 7036 56.837 85.157 13.237 1.00 0.00 WT1 O ATOM 20627 H1 TIP3 7036 56.376 84.345 13.027 1.00 0.00 WT1 H ATOM 20628 H2 TIP3 7036 56.390 85.827 12.720 1.00 0.00 WT1 H ATOM 20629 OH2 TIP3 7037 34.517 50.480 54.241 1.00 0.00 WT1 O ATOM 20630 H1 TIP3 7037 34.716 51.011 55.012 1.00 0.00 WT1 H ATOM 20631 H2 TIP3 7037 34.987 49.659 54.388 1.00 0.00 WT1 H ATOM 20632 OH2 TIP3 7038 72.583 44.011 23.467 1.00 0.00 WT1 O ATOM 20633 H1 TIP3 7038 72.146 44.825 23.718 1.00 0.00 WT1 H ATOM 20634 H2 TIP3 7038 72.689 44.079 22.518 1.00 0.00 WT1 H ATOM 20635 OH2 TIP3 7039 25.308 86.682 28.401 1.00 0.00 WT1 O ATOM 20636 H1 TIP3 7039 24.824 86.022 28.899 1.00 0.00 WT1 H ATOM 20637 H2 TIP3 7039 26.076 86.873 28.939 1.00 0.00 WT1 H ATOM 20638 OH2 TIP3 7040 66.616 93.190 -12.683 1.00 0.00 WT1 O ATOM 20639 H1 TIP3 7040 65.810 92.678 -12.618 1.00 0.00 WT1 H ATOM 20640 H2 TIP3 7040 67.300 92.540 -12.842 1.00 0.00 WT1 H ATOM 20641 OH2 TIP3 7041 72.633 41.110 -19.375 1.00 0.00 WT1 O ATOM 20642 H1 TIP3 7041 72.801 40.207 -19.104 1.00 0.00 WT1 H ATOM 20643 H2 TIP3 7041 71.686 41.149 -19.507 1.00 0.00 WT1 H ATOM 20644 OH2 TIP3 7042 33.861 91.243 45.123 1.00 0.00 WT1 O ATOM 20645 H1 TIP3 7042 34.605 90.846 45.576 1.00 0.00 WT1 H ATOM 20646 H2 TIP3 7042 33.887 90.867 44.243 1.00 0.00 WT1 H ATOM 20647 OH2 TIP3 7043 40.125 13.937 2.715 1.00 0.00 WT1 O ATOM 20648 H1 TIP3 7043 40.778 14.155 3.380 1.00 0.00 WT1 H ATOM 20649 H2 TIP3 7043 39.309 13.837 3.206 1.00 0.00 WT1 H ATOM 20650 OH2 TIP3 7044 49.799 52.511 -8.994 1.00 0.00 WT1 O ATOM 20651 H1 TIP3 7044 49.714 52.780 -8.079 1.00 0.00 WT1 H ATOM 20652 H2 TIP3 7044 49.077 52.952 -9.442 1.00 0.00 WT1 H ATOM 20653 OH2 TIP3 7045 62.654 47.311 48.377 1.00 0.00 WT1 O ATOM 20654 H1 TIP3 7045 62.461 46.669 47.695 1.00 0.00 WT1 H ATOM 20655 H2 TIP3 7045 63.105 48.020 47.919 1.00 0.00 WT1 H ATOM 20656 OH2 TIP3 7046 46.105 80.927 65.276 1.00 0.00 WT1 O ATOM 20657 H1 TIP3 7046 46.330 81.171 64.379 1.00 0.00 WT1 H ATOM 20658 H2 TIP3 7046 45.200 81.219 65.385 1.00 0.00 WT1 H ATOM 20659 OH2 TIP3 7047 53.430 85.904 30.812 1.00 0.00 WT1 O ATOM 20660 H1 TIP3 7047 52.504 86.046 31.010 1.00 0.00 WT1 H ATOM 20661 H2 TIP3 7047 53.426 85.313 30.059 1.00 0.00 WT1 H ATOM 20662 OH2 TIP3 7048 39.746 68.646 61.177 1.00 0.00 WT1 O ATOM 20663 H1 TIP3 7048 40.205 68.056 60.578 1.00 0.00 WT1 H ATOM 20664 H2 TIP3 7048 39.133 68.081 61.648 1.00 0.00 WT1 H ATOM 20665 OH2 TIP3 7049 71.809 76.374 -7.433 1.00 0.00 WT1 O ATOM 20666 H1 TIP3 7049 71.449 75.505 -7.611 1.00 0.00 WT1 H ATOM 20667 H2 TIP3 7049 72.653 76.381 -7.884 1.00 0.00 WT1 H ATOM 20668 OH2 TIP3 7050 87.099 6.435 4.387 1.00 0.00 WT1 O ATOM 20669 H1 TIP3 7050 86.541 6.670 5.128 1.00 0.00 WT1 H ATOM 20670 H2 TIP3 7050 87.541 7.250 4.151 1.00 0.00 WT1 H ATOM 20671 OH2 TIP3 7051 58.043 94.897 48.037 1.00 0.00 WT1 O ATOM 20672 H1 TIP3 7051 58.020 95.593 48.694 1.00 0.00 WT1 H ATOM 20673 H2 TIP3 7051 57.647 95.288 47.259 1.00 0.00 WT1 H ATOM 20674 OH2 TIP3 7053 45.571 40.536 63.566 1.00 0.00 WT1 O ATOM 20675 H1 TIP3 7053 46.298 41.033 63.944 1.00 0.00 WT1 H ATOM 20676 H2 TIP3 7053 44.862 40.628 64.202 1.00 0.00 WT1 H ATOM 20677 OH2 TIP3 7054 77.861 72.332 49.459 1.00 0.00 WT1 O ATOM 20678 H1 TIP3 7054 78.378 71.654 49.025 1.00 0.00 WT1 H ATOM 20679 H2 TIP3 7054 77.092 72.444 48.900 1.00 0.00 WT1 H ATOM 20680 OH2 TIP3 7055 39.359 39.156 10.595 1.00 0.00 WT1 O ATOM 20681 H1 TIP3 7055 39.935 39.841 10.936 1.00 0.00 WT1 H ATOM 20682 H2 TIP3 7055 38.770 38.955 11.321 1.00 0.00 WT1 H ATOM 20683 OH2 TIP3 7056 26.570 20.621 54.648 1.00 0.00 WT1 O ATOM 20684 H1 TIP3 7056 26.677 19.739 54.294 1.00 0.00 WT1 H ATOM 20685 H2 TIP3 7056 27.381 20.786 55.129 1.00 0.00 WT1 H ATOM 20686 OH2 TIP3 7057 48.469 79.332 20.258 1.00 0.00 WT1 O ATOM 20687 H1 TIP3 7057 49.374 79.551 20.478 1.00 0.00 WT1 H ATOM 20688 H2 TIP3 7057 48.535 78.528 19.743 1.00 0.00 WT1 H ATOM 20689 OH2 TIP3 7058 71.217 37.758 30.216 1.00 0.00 WT1 O ATOM 20690 H1 TIP3 7058 71.651 38.611 30.238 1.00 0.00 WT1 H ATOM 20691 H2 TIP3 7058 71.856 37.154 30.596 1.00 0.00 WT1 H ATOM 20692 OH2 TIP3 7059 84.434 82.983 -9.451 1.00 0.00 WT1 O ATOM 20693 H1 TIP3 7059 85.080 83.364 -10.045 1.00 0.00 WT1 H ATOM 20694 H2 TIP3 7059 84.902 82.877 -8.623 1.00 0.00 WT1 H ATOM 20695 OH2 TIP3 7060 78.036 72.790 33.411 1.00 0.00 WT1 O ATOM 20696 H1 TIP3 7060 77.959 72.689 32.462 1.00 0.00 WT1 H ATOM 20697 H2 TIP3 7060 77.480 73.541 33.618 1.00 0.00 WT1 H ATOM 20698 OH2 TIP3 7061 41.269 27.153 -5.391 1.00 0.00 WT1 O ATOM 20699 H1 TIP3 7061 41.415 27.725 -6.145 1.00 0.00 WT1 H ATOM 20700 H2 TIP3 7061 41.155 27.753 -4.654 1.00 0.00 WT1 H ATOM 20701 OH2 TIP3 7062 49.399 90.558 -8.112 1.00 0.00 WT1 O ATOM 20702 H1 TIP3 7062 49.110 90.546 -9.024 1.00 0.00 WT1 H ATOM 20703 H2 TIP3 7062 48.622 90.309 -7.611 1.00 0.00 WT1 H ATOM 20704 OH2 TIP3 7063 32.470 19.691 61.139 1.00 0.00 WT1 O ATOM 20705 H1 TIP3 7063 33.338 20.094 61.125 1.00 0.00 WT1 H ATOM 20706 H2 TIP3 7063 31.952 20.215 60.529 1.00 0.00 WT1 H ATOM 20707 OH2 TIP3 7064 67.589 31.913 26.450 1.00 0.00 WT1 O ATOM 20708 H1 TIP3 7064 67.942 32.132 25.588 1.00 0.00 WT1 H ATOM 20709 H2 TIP3 7064 68.180 31.240 26.788 1.00 0.00 WT1 H ATOM 20710 OH2 TIP3 7065 29.891 15.684 34.102 1.00 0.00 WT1 O ATOM 20711 H1 TIP3 7065 30.018 16.231 34.877 1.00 0.00 WT1 H ATOM 20712 H2 TIP3 7065 29.152 16.085 33.644 1.00 0.00 WT1 H ATOM 20713 OH2 TIP3 7066 68.841 66.925 52.383 1.00 0.00 WT1 O ATOM 20714 H1 TIP3 7066 68.715 65.977 52.400 1.00 0.00 WT1 H ATOM 20715 H2 TIP3 7066 69.082 67.119 51.477 1.00 0.00 WT1 H ATOM 20716 OH2 TIP3 7067 80.552 41.311 18.073 1.00 0.00 WT1 O ATOM 20717 H1 TIP3 7067 80.324 40.903 18.908 1.00 0.00 WT1 H ATOM 20718 H2 TIP3 7067 79.778 41.821 17.836 1.00 0.00 WT1 H ATOM 20719 OH2 TIP3 7068 67.168 47.887 26.433 1.00 0.00 WT1 O ATOM 20720 H1 TIP3 7068 67.027 48.833 26.390 1.00 0.00 WT1 H ATOM 20721 H2 TIP3 7068 66.298 47.509 26.302 1.00 0.00 WT1 H ATOM 20722 OH2 TIP3 7069 89.661 83.015 27.057 1.00 0.00 WT1 O ATOM 20723 H1 TIP3 7069 90.473 83.182 27.537 1.00 0.00 WT1 H ATOM 20724 H2 TIP3 7069 89.765 82.127 26.714 1.00 0.00 WT1 H ATOM 20725 OH2 TIP3 7071 20.559 26.074 66.850 1.00 0.00 WT1 O ATOM 20726 H1 TIP3 7071 19.697 26.277 67.213 1.00 0.00 WT1 H ATOM 20727 H2 TIP3 7071 21.119 26.792 67.145 1.00 0.00 WT1 H ATOM 20728 OH2 TIP3 7072 37.117 51.523 -6.526 1.00 0.00 WT1 O ATOM 20729 H1 TIP3 7072 37.327 52.164 -5.847 1.00 0.00 WT1 H ATOM 20730 H2 TIP3 7072 37.246 51.993 -7.350 1.00 0.00 WT1 H ATOM 20731 OH2 TIP3 7073 61.337 2.091 -12.494 1.00 0.00 WT1 O ATOM 20732 H1 TIP3 7073 62.203 1.685 -12.447 1.00 0.00 WT1 H ATOM 20733 H2 TIP3 7073 60.729 1.353 -12.536 1.00 0.00 WT1 H ATOM 20734 OH2 TIP3 7074 73.961 44.621 9.048 1.00 0.00 WT1 O ATOM 20735 H1 TIP3 7074 73.031 44.821 9.150 1.00 0.00 WT1 H ATOM 20736 H2 TIP3 7074 74.407 45.443 9.254 1.00 0.00 WT1 H ATOM 20737 OH2 TIP3 7075 53.798 60.930 -8.632 1.00 0.00 WT1 O ATOM 20738 H1 TIP3 7075 53.821 61.604 -7.953 1.00 0.00 WT1 H ATOM 20739 H2 TIP3 7075 54.397 60.253 -8.318 1.00 0.00 WT1 H ATOM 20740 OH2 TIP3 7076 81.127 13.718 -14.572 1.00 0.00 WT1 O ATOM 20741 H1 TIP3 7076 80.908 13.230 -13.778 1.00 0.00 WT1 H ATOM 20742 H2 TIP3 7076 80.289 14.059 -14.883 1.00 0.00 WT1 H ATOM 20743 OH2 TIP3 7077 80.540 65.943 67.198 1.00 0.00 WT1 O ATOM 20744 H1 TIP3 7077 80.060 65.141 66.990 1.00 0.00 WT1 H ATOM 20745 H2 TIP3 7077 81.313 65.913 66.634 1.00 0.00 WT1 H ATOM 20746 OH2 TIP3 7078 89.985 58.867 19.908 1.00 0.00 WT1 O ATOM 20747 H1 TIP3 7078 90.594 58.334 20.419 1.00 0.00 WT1 H ATOM 20748 H2 TIP3 7078 89.400 58.233 19.494 1.00 0.00 WT1 H ATOM 20749 OH2 TIP3 7079 87.240 15.968 -6.585 1.00 0.00 WT1 O ATOM 20750 H1 TIP3 7079 86.296 16.033 -6.442 1.00 0.00 WT1 H ATOM 20751 H2 TIP3 7079 87.578 15.573 -5.782 1.00 0.00 WT1 H ATOM 20752 OH2 TIP3 7080 78.136 51.705 16.765 1.00 0.00 WT1 O ATOM 20753 H1 TIP3 7080 77.624 52.411 17.159 1.00 0.00 WT1 H ATOM 20754 H2 TIP3 7080 78.706 51.399 17.470 1.00 0.00 WT1 H ATOM 20755 OH2 TIP3 7081 45.733 72.126 -9.887 1.00 0.00 WT1 O ATOM 20756 H1 TIP3 7081 45.632 72.532 -9.026 1.00 0.00 WT1 H ATOM 20757 H2 TIP3 7081 46.369 71.424 -9.748 1.00 0.00 WT1 H ATOM 20758 OH2 TIP3 7082 32.648 19.802 5.828 1.00 0.00 WT1 O ATOM 20759 H1 TIP3 7082 32.892 19.383 6.654 1.00 0.00 WT1 H ATOM 20760 H2 TIP3 7082 33.310 19.504 5.204 1.00 0.00 WT1 H ATOM 20761 OH2 TIP3 7083 62.071 4.584 15.143 1.00 0.00 WT1 O ATOM 20762 H1 TIP3 7083 61.797 5.453 14.849 1.00 0.00 WT1 H ATOM 20763 H2 TIP3 7083 61.294 4.036 15.032 1.00 0.00 WT1 H ATOM 20764 OH2 TIP3 7085 73.271 40.311 2.330 1.00 0.00 WT1 O ATOM 20765 H1 TIP3 7085 73.281 40.913 3.074 1.00 0.00 WT1 H ATOM 20766 H2 TIP3 7085 74.193 40.108 2.173 1.00 0.00 WT1 H ATOM 20767 OH2 TIP3 7086 24.986 52.259 7.017 1.00 0.00 WT1 O ATOM 20768 H1 TIP3 7086 25.703 52.886 7.111 1.00 0.00 WT1 H ATOM 20769 H2 TIP3 7086 24.962 52.062 6.080 1.00 0.00 WT1 H ATOM 20770 OH2 TIP3 7088 56.862 17.750 41.732 1.00 0.00 WT1 O ATOM 20771 H1 TIP3 7088 56.707 18.682 41.885 1.00 0.00 WT1 H ATOM 20772 H2 TIP3 7088 56.495 17.585 40.863 1.00 0.00 WT1 H ATOM 20773 OH2 TIP3 7089 61.489 29.225 2.684 1.00 0.00 WT1 O ATOM 20774 H1 TIP3 7089 60.874 29.942 2.529 1.00 0.00 WT1 H ATOM 20775 H2 TIP3 7089 62.123 29.581 3.305 1.00 0.00 WT1 H ATOM 20776 OH2 TIP3 7090 85.608 87.176 55.736 1.00 0.00 WT1 O ATOM 20777 H1 TIP3 7090 86.507 87.165 56.062 1.00 0.00 WT1 H ATOM 20778 H2 TIP3 7090 85.203 86.398 56.120 1.00 0.00 WT1 H ATOM 20779 OH2 TIP3 7091 59.175 14.538 32.745 1.00 0.00 WT1 O ATOM 20780 H1 TIP3 7091 58.972 13.614 32.603 1.00 0.00 WT1 H ATOM 20781 H2 TIP3 7091 58.528 15.010 32.221 1.00 0.00 WT1 H ATOM 20782 OH2 TIP3 7092 70.886 49.147 30.529 1.00 0.00 WT1 O ATOM 20783 H1 TIP3 7092 71.538 49.079 29.832 1.00 0.00 WT1 H ATOM 20784 H2 TIP3 7092 70.419 48.312 30.503 1.00 0.00 WT1 H ATOM 20785 OH2 TIP3 7093 59.975 91.686 11.792 1.00 0.00 WT1 O ATOM 20786 H1 TIP3 7093 59.988 90.731 11.848 1.00 0.00 WT1 H ATOM 20787 H2 TIP3 7093 59.046 91.912 11.758 1.00 0.00 WT1 H ATOM 20788 OH2 TIP3 7094 21.900 10.665 35.705 1.00 0.00 WT1 O ATOM 20789 H1 TIP3 7094 22.168 11.566 35.884 1.00 0.00 WT1 H ATOM 20790 H2 TIP3 7094 22.558 10.127 36.146 1.00 0.00 WT1 H ATOM 20791 OH2 TIP3 7095 46.175 1.942 65.562 1.00 0.00 WT1 O ATOM 20792 H1 TIP3 7095 45.927 1.052 65.810 1.00 0.00 WT1 H ATOM 20793 H2 TIP3 7095 47.124 1.969 65.681 1.00 0.00 WT1 H ATOM 20794 OH2 TIP3 7096 64.541 78.104 5.973 1.00 0.00 WT1 O ATOM 20795 H1 TIP3 7096 63.982 77.559 5.420 1.00 0.00 WT1 H ATOM 20796 H2 TIP3 7096 64.373 77.795 6.864 1.00 0.00 WT1 H ATOM 20797 OH2 TIP3 7097 78.844 38.294 62.083 1.00 0.00 WT1 O ATOM 20798 H1 TIP3 7097 78.947 37.452 61.640 1.00 0.00 WT1 H ATOM 20799 H2 TIP3 7097 78.251 38.791 61.521 1.00 0.00 WT1 H ATOM 20800 OH2 TIP3 7098 47.387 40.586 48.093 1.00 0.00 WT1 O ATOM 20801 H1 TIP3 7098 47.779 40.733 47.233 1.00 0.00 WT1 H ATOM 20802 H2 TIP3 7098 47.212 41.464 48.431 1.00 0.00 WT1 H ATOM 20803 OH2 TIP3 7099 46.149 2.926 -16.068 1.00 0.00 WT1 O ATOM 20804 H1 TIP3 7099 46.702 2.243 -15.690 1.00 0.00 WT1 H ATOM 20805 H2 TIP3 7099 46.345 3.707 -15.551 1.00 0.00 WT1 H ATOM 20806 OH2 TIP3 7101 59.381 74.123 -6.998 1.00 0.00 WT1 O ATOM 20807 H1 TIP3 7101 59.128 74.984 -7.331 1.00 0.00 WT1 H ATOM 20808 H2 TIP3 7101 60.337 74.126 -7.026 1.00 0.00 WT1 H ATOM 20809 OH2 TIP3 7102 64.389 18.698 14.571 1.00 0.00 WT1 O ATOM 20810 H1 TIP3 7102 63.647 19.099 15.024 1.00 0.00 WT1 H ATOM 20811 H2 TIP3 7102 64.079 17.826 14.327 1.00 0.00 WT1 H ATOM 20812 OH2 TIP3 7103 64.277 94.156 53.350 1.00 0.00 WT1 O ATOM 20813 H1 TIP3 7103 64.670 94.975 53.653 1.00 0.00 WT1 H ATOM 20814 H2 TIP3 7103 63.397 94.159 53.725 1.00 0.00 WT1 H ATOM 20815 OH2 TIP3 7104 86.645 95.670 2.150 1.00 0.00 WT1 O ATOM 20816 H1 TIP3 7104 86.525 95.419 1.234 1.00 0.00 WT1 H ATOM 20817 H2 TIP3 7104 86.608 94.844 2.632 1.00 0.00 WT1 H ATOM 20818 OH2 TIP3 7105 62.340 20.683 26.784 1.00 0.00 WT1 O ATOM 20819 H1 TIP3 7105 62.855 20.668 27.591 1.00 0.00 WT1 H ATOM 20820 H2 TIP3 7105 61.730 21.411 26.902 1.00 0.00 WT1 H ATOM 20821 OH2 TIP3 7106 82.856 26.902 -10.709 1.00 0.00 WT1 O ATOM 20822 H1 TIP3 7106 83.213 26.023 -10.586 1.00 0.00 WT1 H ATOM 20823 H2 TIP3 7106 83.590 27.414 -11.046 1.00 0.00 WT1 H ATOM 20824 OH2 TIP3 7107 84.781 90.618 -3.272 1.00 0.00 WT1 O ATOM 20825 H1 TIP3 7107 85.680 90.942 -3.323 1.00 0.00 WT1 H ATOM 20826 H2 TIP3 7107 84.386 90.873 -4.106 1.00 0.00 WT1 H ATOM 20827 OH2 TIP3 7108 89.326 90.021 -14.016 1.00 0.00 WT1 O ATOM 20828 H1 TIP3 7108 90.265 90.025 -13.829 1.00 0.00 WT1 H ATOM 20829 H2 TIP3 7108 88.992 89.256 -13.548 1.00 0.00 WT1 H ATOM 20830 OH2 TIP3 7109 45.473 95.001 7.543 1.00 0.00 WT1 O ATOM 20831 H1 TIP3 7109 46.302 95.312 7.907 1.00 0.00 WT1 H ATOM 20832 H2 TIP3 7109 45.188 94.315 8.147 1.00 0.00 WT1 H ATOM 20833 OH2 TIP3 7110 70.217 81.979 32.527 1.00 0.00 WT1 O ATOM 20834 H1 TIP3 7110 69.451 82.114 31.968 1.00 0.00 WT1 H ATOM 20835 H2 TIP3 7110 70.517 82.863 32.741 1.00 0.00 WT1 H ATOM 20836 OH2 TIP3 7111 54.182 5.688 60.349 1.00 0.00 WT1 O ATOM 20837 H1 TIP3 7111 53.285 5.849 60.642 1.00 0.00 WT1 H ATOM 20838 H2 TIP3 7111 54.660 5.473 61.149 1.00 0.00 WT1 H ATOM 20839 OH2 TIP3 7113 26.843 6.394 65.799 1.00 0.00 WT1 O ATOM 20840 H1 TIP3 7113 26.074 5.858 65.990 1.00 0.00 WT1 H ATOM 20841 H2 TIP3 7113 26.566 6.966 65.083 1.00 0.00 WT1 H ATOM 20842 OH2 TIP3 7114 80.908 65.062 -17.496 1.00 0.00 WT1 O ATOM 20843 H1 TIP3 7114 80.793 65.237 -18.430 1.00 0.00 WT1 H ATOM 20844 H2 TIP3 7114 81.605 65.660 -17.225 1.00 0.00 WT1 H ATOM 20845 OH2 TIP3 7115 20.554 32.957 -19.537 1.00 0.00 WT1 O ATOM 20846 H1 TIP3 7115 21.214 33.429 -19.029 1.00 0.00 WT1 H ATOM 20847 H2 TIP3 7115 20.679 33.263 -20.435 1.00 0.00 WT1 H ATOM 20848 OH2 TIP3 7116 20.834 86.510 39.146 1.00 0.00 WT1 O ATOM 20849 H1 TIP3 7116 20.386 85.833 38.639 1.00 0.00 WT1 H ATOM 20850 H2 TIP3 7116 20.132 87.082 39.456 1.00 0.00 WT1 H ATOM 20851 OH2 TIP3 7117 38.119 11.726 54.874 1.00 0.00 WT1 O ATOM 20852 H1 TIP3 7117 38.169 12.461 54.264 1.00 0.00 WT1 H ATOM 20853 H2 TIP3 7117 38.388 12.094 55.716 1.00 0.00 WT1 H ATOM 20854 OH2 TIP3 7118 33.767 79.159 16.482 1.00 0.00 WT1 O ATOM 20855 H1 TIP3 7118 32.832 78.957 16.447 1.00 0.00 WT1 H ATOM 20856 H2 TIP3 7118 34.052 79.137 15.569 1.00 0.00 WT1 H ATOM 20857 OH2 TIP3 7119 59.236 25.691 39.984 1.00 0.00 WT1 O ATOM 20858 H1 TIP3 7119 60.186 25.715 39.866 1.00 0.00 WT1 H ATOM 20859 H2 TIP3 7119 58.947 26.582 39.788 1.00 0.00 WT1 H ATOM 20860 OH2 TIP3 7120 25.306 52.289 -15.021 1.00 0.00 WT1 O ATOM 20861 H1 TIP3 7120 24.849 51.450 -15.086 1.00 0.00 WT1 H ATOM 20862 H2 TIP3 7120 24.772 52.807 -14.419 1.00 0.00 WT1 H ATOM 20863 OH2 TIP3 7121 68.975 22.720 27.313 1.00 0.00 WT1 O ATOM 20864 H1 TIP3 7121 68.048 22.530 27.170 1.00 0.00 WT1 H ATOM 20865 H2 TIP3 7121 69.286 23.045 26.468 1.00 0.00 WT1 H ATOM 20866 OH2 TIP3 7122 47.406 37.334 48.387 1.00 0.00 WT1 O ATOM 20867 H1 TIP3 7122 47.913 37.367 49.198 1.00 0.00 WT1 H ATOM 20868 H2 TIP3 7122 46.810 38.081 48.446 1.00 0.00 WT1 H ATOM 20869 OH2 TIP3 7123 49.984 12.596 11.049 1.00 0.00 WT1 O ATOM 20870 H1 TIP3 7123 49.075 12.818 10.847 1.00 0.00 WT1 H ATOM 20871 H2 TIP3 7123 49.937 11.721 11.435 1.00 0.00 WT1 H ATOM 20872 OH2 TIP3 7124 43.553 13.176 -3.873 1.00 0.00 WT1 O ATOM 20873 H1 TIP3 7124 42.755 13.144 -4.401 1.00 0.00 WT1 H ATOM 20874 H2 TIP3 7124 44.162 13.703 -4.391 1.00 0.00 WT1 H ATOM 20875 OH2 TIP3 7125 50.688 8.718 22.783 1.00 0.00 WT1 O ATOM 20876 H1 TIP3 7125 50.794 8.071 22.086 1.00 0.00 WT1 H ATOM 20877 H2 TIP3 7125 49.921 9.228 22.522 1.00 0.00 WT1 H ATOM 20878 OH2 TIP3 7126 46.241 15.898 37.144 1.00 0.00 WT1 O ATOM 20879 H1 TIP3 7126 47.120 16.189 37.387 1.00 0.00 WT1 H ATOM 20880 H2 TIP3 7126 46.001 16.453 36.402 1.00 0.00 WT1 H ATOM 20881 OH2 TIP3 7127 30.359 52.145 -16.530 1.00 0.00 WT1 O ATOM 20882 H1 TIP3 7127 31.112 51.684 -16.898 1.00 0.00 WT1 H ATOM 20883 H2 TIP3 7127 30.700 53.006 -16.288 1.00 0.00 WT1 H ATOM 20884 OH2 TIP3 7128 25.422 82.681 28.518 1.00 0.00 WT1 O ATOM 20885 H1 TIP3 7128 26.161 82.521 29.104 1.00 0.00 WT1 H ATOM 20886 H2 TIP3 7128 25.824 82.871 27.670 1.00 0.00 WT1 H ATOM 20887 OH2 TIP3 7129 57.390 3.511 61.614 1.00 0.00 WT1 O ATOM 20888 H1 TIP3 7129 56.891 4.226 61.221 1.00 0.00 WT1 H ATOM 20889 H2 TIP3 7129 57.480 3.757 62.534 1.00 0.00 WT1 H ATOM 20890 OH2 TIP3 7130 65.985 55.007 9.827 1.00 0.00 WT1 O ATOM 20891 H1 TIP3 7130 66.216 55.464 10.636 1.00 0.00 WT1 H ATOM 20892 H2 TIP3 7130 65.757 54.121 10.109 1.00 0.00 WT1 H ATOM 20893 OH2 TIP3 7131 46.242 79.549 21.715 1.00 0.00 WT1 O ATOM 20894 H1 TIP3 7131 46.942 79.666 21.073 1.00 0.00 WT1 H ATOM 20895 H2 TIP3 7131 46.623 78.982 22.386 1.00 0.00 WT1 H ATOM 20896 OH2 TIP3 7132 79.861 35.618 3.412 1.00 0.00 WT1 O ATOM 20897 H1 TIP3 7132 80.436 34.940 3.767 1.00 0.00 WT1 H ATOM 20898 H2 TIP3 7132 79.508 35.236 2.608 1.00 0.00 WT1 H ATOM 20899 OH2 TIP3 7133 73.252 4.895 36.254 1.00 0.00 WT1 O ATOM 20900 H1 TIP3 7133 73.235 5.074 37.194 1.00 0.00 WT1 H ATOM 20901 H2 TIP3 7133 72.361 5.079 35.957 1.00 0.00 WT1 H ATOM 20902 OH2 TIP3 7134 22.592 75.692 63.977 1.00 0.00 WT1 O ATOM 20903 H1 TIP3 7134 23.171 76.388 64.289 1.00 0.00 WT1 H ATOM 20904 H2 TIP3 7134 22.520 75.845 63.035 1.00 0.00 WT1 H ATOM 20905 OH2 TIP3 7135 65.704 45.073 -19.504 1.00 0.00 WT1 O ATOM 20906 H1 TIP3 7135 65.692 45.969 -19.166 1.00 0.00 WT1 H ATOM 20907 H2 TIP3 7135 65.733 44.522 -18.722 1.00 0.00 WT1 H ATOM 20908 OH2 TIP3 7136 74.492 83.055 36.772 1.00 0.00 WT1 O ATOM 20909 H1 TIP3 7136 75.357 83.171 37.166 1.00 0.00 WT1 H ATOM 20910 H2 TIP3 7136 73.996 83.825 37.052 1.00 0.00 WT1 H ATOM 20911 OH2 TIP3 7137 63.004 13.362 -19.957 1.00 0.00 WT1 O ATOM 20912 H1 TIP3 7137 62.988 13.103 -19.035 1.00 0.00 WT1 H ATOM 20913 H2 TIP3 7137 62.512 14.183 -19.984 1.00 0.00 WT1 H ATOM 20914 OH2 TIP3 7138 21.262 72.197 -10.573 1.00 0.00 WT1 O ATOM 20915 H1 TIP3 7138 22.019 72.775 -10.474 1.00 0.00 WT1 H ATOM 20916 H2 TIP3 7138 20.904 72.117 -9.689 1.00 0.00 WT1 H ATOM 20917 OH2 TIP3 7139 37.894 72.457 26.565 1.00 0.00 WT1 O ATOM 20918 H1 TIP3 7139 38.415 71.932 27.173 1.00 0.00 WT1 H ATOM 20919 H2 TIP3 7139 38.358 72.389 25.731 1.00 0.00 WT1 H ATOM 20920 OH2 TIP3 7140 81.278 91.275 33.303 1.00 0.00 WT1 O ATOM 20921 H1 TIP3 7140 81.375 91.538 32.387 1.00 0.00 WT1 H ATOM 20922 H2 TIP3 7140 82.140 90.942 33.549 1.00 0.00 WT1 H ATOM 20923 OH2 TIP3 7141 46.770 36.502 53.978 1.00 0.00 WT1 O ATOM 20924 H1 TIP3 7141 46.023 37.100 54.005 1.00 0.00 WT1 H ATOM 20925 H2 TIP3 7141 47.239 36.739 53.178 1.00 0.00 WT1 H ATOM 20926 OH2 TIP3 7142 23.817 79.942 55.909 1.00 0.00 WT1 O ATOM 20927 H1 TIP3 7142 23.363 80.373 56.633 1.00 0.00 WT1 H ATOM 20928 H2 TIP3 7142 24.222 79.170 56.304 1.00 0.00 WT1 H ATOM 20929 OH2 TIP3 7143 31.642 3.894 58.562 1.00 0.00 WT1 O ATOM 20930 H1 TIP3 7143 30.876 3.660 58.038 1.00 0.00 WT1 H ATOM 20931 H2 TIP3 7143 31.651 4.851 58.558 1.00 0.00 WT1 H ATOM 20932 OH2 TIP3 7144 89.024 6.494 8.081 1.00 0.00 WT1 O ATOM 20933 H1 TIP3 7144 89.414 7.349 7.897 1.00 0.00 WT1 H ATOM 20934 H2 TIP3 7144 89.590 6.112 8.753 1.00 0.00 WT1 H ATOM 20935 OH2 TIP3 7145 73.963 74.057 64.093 1.00 0.00 WT1 O ATOM 20936 H1 TIP3 7145 73.855 73.203 64.512 1.00 0.00 WT1 H ATOM 20937 H2 TIP3 7145 73.167 74.173 63.575 1.00 0.00 WT1 H ATOM 20938 OH2 TIP3 7146 56.619 71.997 34.614 1.00 0.00 WT1 O ATOM 20939 H1 TIP3 7146 55.791 72.379 34.907 1.00 0.00 WT1 H ATOM 20940 H2 TIP3 7146 56.440 71.059 34.549 1.00 0.00 WT1 H ATOM 20941 OH2 TIP3 7147 70.548 48.865 -7.633 1.00 0.00 WT1 O ATOM 20942 H1 TIP3 7147 70.751 47.978 -7.336 1.00 0.00 WT1 H ATOM 20943 H2 TIP3 7147 70.536 49.389 -6.833 1.00 0.00 WT1 H ATOM 20944 OH2 TIP3 7148 39.235 46.227 64.573 1.00 0.00 WT1 O ATOM 20945 H1 TIP3 7148 39.942 46.854 64.420 1.00 0.00 WT1 H ATOM 20946 H2 TIP3 7148 38.852 46.082 63.708 1.00 0.00 WT1 H ATOM 20947 OH2 TIP3 7149 42.747 64.757 62.871 1.00 0.00 WT1 O ATOM 20948 H1 TIP3 7149 43.330 65.477 63.112 1.00 0.00 WT1 H ATOM 20949 H2 TIP3 7149 43.108 64.419 62.051 1.00 0.00 WT1 H ATOM 20950 OH2 TIP3 7150 67.525 13.656 22.279 1.00 0.00 WT1 O ATOM 20951 H1 TIP3 7150 68.226 14.305 22.227 1.00 0.00 WT1 H ATOM 20952 H2 TIP3 7150 67.322 13.596 23.212 1.00 0.00 WT1 H ATOM 20953 OH2 TIP3 7151 79.071 13.418 37.338 1.00 0.00 WT1 O ATOM 20954 H1 TIP3 7151 79.339 13.042 36.500 1.00 0.00 WT1 H ATOM 20955 H2 TIP3 7151 79.876 13.782 37.706 1.00 0.00 WT1 H ATOM 20956 OH2 TIP3 7152 78.444 38.831 -13.242 1.00 0.00 WT1 O ATOM 20957 H1 TIP3 7152 77.984 38.281 -12.608 1.00 0.00 WT1 H ATOM 20958 H2 TIP3 7152 79.116 39.279 -12.728 1.00 0.00 WT1 H ATOM 20959 OH2 TIP3 7153 64.866 43.228 52.616 1.00 0.00 WT1 O ATOM 20960 H1 TIP3 7153 65.409 43.905 53.019 1.00 0.00 WT1 H ATOM 20961 H2 TIP3 7153 64.359 43.692 51.950 1.00 0.00 WT1 H ATOM 20962 OH2 TIP3 7154 64.527 12.289 61.602 1.00 0.00 WT1 O ATOM 20963 H1 TIP3 7154 64.475 12.874 62.357 1.00 0.00 WT1 H ATOM 20964 H2 TIP3 7154 64.505 11.409 61.978 1.00 0.00 WT1 H ATOM 20965 OH2 TIP3 7155 89.744 18.479 33.360 1.00 0.00 WT1 O ATOM 20966 H1 TIP3 7155 89.405 18.614 32.475 1.00 0.00 WT1 H ATOM 20967 H2 TIP3 7155 89.122 18.936 33.927 1.00 0.00 WT1 H ATOM 20968 OH2 TIP3 7156 40.011 25.950 20.232 1.00 0.00 WT1 O ATOM 20969 H1 TIP3 7156 39.081 25.867 20.024 1.00 0.00 WT1 H ATOM 20970 H2 TIP3 7156 40.048 26.637 20.898 1.00 0.00 WT1 H ATOM 20971 OH2 TIP3 7157 75.730 31.434 -11.309 1.00 0.00 WT1 O ATOM 20972 H1 TIP3 7157 75.546 32.085 -11.985 1.00 0.00 WT1 H ATOM 20973 H2 TIP3 7157 76.016 31.946 -10.553 1.00 0.00 WT1 H ATOM 20974 OH2 TIP3 7158 71.350 37.662 49.989 1.00 0.00 WT1 O ATOM 20975 H1 TIP3 7158 70.882 37.526 49.165 1.00 0.00 WT1 H ATOM 20976 H2 TIP3 7158 71.024 38.501 50.314 1.00 0.00 WT1 H ATOM 20977 OH2 TIP3 7159 26.868 11.028 55.212 1.00 0.00 WT1 O ATOM 20978 H1 TIP3 7159 26.252 11.668 54.856 1.00 0.00 WT1 H ATOM 20979 H2 TIP3 7159 26.898 10.333 54.556 1.00 0.00 WT1 H ATOM 20980 OH2 TIP3 7160 70.000 44.345 -11.302 1.00 0.00 WT1 O ATOM 20981 H1 TIP3 7160 69.629 43.544 -11.670 1.00 0.00 WT1 H ATOM 20982 H2 TIP3 7160 69.534 44.468 -10.475 1.00 0.00 WT1 H ATOM 20983 OH2 TIP3 7161 82.863 36.775 11.792 1.00 0.00 WT1 O ATOM 20984 H1 TIP3 7161 82.425 36.861 10.945 1.00 0.00 WT1 H ATOM 20985 H2 TIP3 7161 82.803 37.647 12.183 1.00 0.00 WT1 H ATOM 20986 OH2 TIP3 7162 65.813 33.367 30.150 1.00 0.00 WT1 O ATOM 20987 H1 TIP3 7162 66.365 33.639 29.418 1.00 0.00 WT1 H ATOM 20988 H2 TIP3 7162 65.160 32.788 29.756 1.00 0.00 WT1 H ATOM 20989 OH2 TIP3 7163 60.231 33.202 37.074 1.00 0.00 WT1 O ATOM 20990 H1 TIP3 7163 59.649 33.306 36.322 1.00 0.00 WT1 H ATOM 20991 H2 TIP3 7163 61.085 33.001 36.691 1.00 0.00 WT1 H ATOM 20992 OH2 TIP3 7164 38.235 36.937 40.146 1.00 0.00 WT1 O ATOM 20993 H1 TIP3 7164 37.580 36.287 40.399 1.00 0.00 WT1 H ATOM 20994 H2 TIP3 7164 38.060 37.105 39.220 1.00 0.00 WT1 H ATOM 20995 OH2 TIP3 7165 76.010 33.061 32.418 1.00 0.00 WT1 O ATOM 20996 H1 TIP3 7165 76.294 33.754 31.822 1.00 0.00 WT1 H ATOM 20997 H2 TIP3 7165 75.550 33.521 33.119 1.00 0.00 WT1 H ATOM 20998 OH2 TIP3 7166 68.133 44.287 -2.019 1.00 0.00 WT1 O ATOM 20999 H1 TIP3 7166 68.072 44.673 -1.145 1.00 0.00 WT1 H ATOM 21000 H2 TIP3 7166 68.785 43.592 -1.930 1.00 0.00 WT1 H ATOM 21001 OH2 TIP3 7167 46.810 5.858 59.804 1.00 0.00 WT1 O ATOM 21002 H1 TIP3 7167 45.957 5.433 59.891 1.00 0.00 WT1 H ATOM 21003 H2 TIP3 7167 47.064 5.704 58.894 1.00 0.00 WT1 H ATOM 21004 OH2 TIP3 7168 22.212 64.347 25.792 1.00 0.00 WT1 O ATOM 21005 H1 TIP3 7168 21.821 63.526 25.491 1.00 0.00 WT1 H ATOM 21006 H2 TIP3 7168 21.507 64.790 26.264 1.00 0.00 WT1 H ATOM 21007 OH2 TIP3 7169 51.106 28.862 -13.657 1.00 0.00 WT1 O ATOM 21008 H1 TIP3 7169 51.181 29.198 -12.763 1.00 0.00 WT1 H ATOM 21009 H2 TIP3 7169 50.324 29.287 -14.008 1.00 0.00 WT1 H ATOM 21010 OH2 TIP3 7170 70.550 25.528 -6.415 1.00 0.00 WT1 O ATOM 21011 H1 TIP3 7170 69.918 26.196 -6.680 1.00 0.00 WT1 H ATOM 21012 H2 TIP3 7170 71.355 26.015 -6.239 1.00 0.00 WT1 H ATOM 21013 OH2 TIP3 7171 24.629 83.363 61.188 1.00 0.00 WT1 O ATOM 21014 H1 TIP3 7171 25.398 83.922 61.306 1.00 0.00 WT1 H ATOM 21015 H2 TIP3 7171 24.804 82.883 60.378 1.00 0.00 WT1 H ATOM 21016 OH2 TIP3 7172 22.599 23.037 40.507 1.00 0.00 WT1 O ATOM 21017 H1 TIP3 7172 22.971 22.219 40.838 1.00 0.00 WT1 H ATOM 21018 H2 TIP3 7172 22.103 23.391 41.246 1.00 0.00 WT1 H ATOM 21019 OH2 TIP3 7173 89.536 72.857 60.061 1.00 0.00 WT1 O ATOM 21020 H1 TIP3 7173 89.852 73.757 60.142 1.00 0.00 WT1 H ATOM 21021 H2 TIP3 7173 90.320 72.317 60.156 1.00 0.00 WT1 H ATOM 21022 OH2 TIP3 7174 24.067 25.423 33.035 1.00 0.00 WT1 O ATOM 21023 H1 TIP3 7174 23.873 26.293 32.688 1.00 0.00 WT1 H ATOM 21024 H2 TIP3 7174 24.207 24.880 32.259 1.00 0.00 WT1 H ATOM 21025 OH2 TIP3 7175 36.687 88.760 9.941 1.00 0.00 WT1 O ATOM 21026 H1 TIP3 7175 36.836 89.065 10.836 1.00 0.00 WT1 H ATOM 21027 H2 TIP3 7175 37.411 88.158 9.769 1.00 0.00 WT1 H ATOM 21028 OH2 TIP3 7176 39.323 11.396 63.773 1.00 0.00 WT1 O ATOM 21029 H1 TIP3 7176 39.517 12.107 64.384 1.00 0.00 WT1 H ATOM 21030 H2 TIP3 7176 39.879 10.673 64.063 1.00 0.00 WT1 H ATOM 21031 OH2 TIP3 7177 47.741 76.824 58.690 1.00 0.00 WT1 O ATOM 21032 H1 TIP3 7177 47.977 75.989 58.287 1.00 0.00 WT1 H ATOM 21033 H2 TIP3 7177 48.580 77.227 58.915 1.00 0.00 WT1 H ATOM 21034 OH2 TIP3 7178 82.994 89.886 24.660 1.00 0.00 WT1 O ATOM 21035 H1 TIP3 7178 82.133 89.526 24.445 1.00 0.00 WT1 H ATOM 21036 H2 TIP3 7178 83.121 89.669 25.583 1.00 0.00 WT1 H ATOM 21037 OH2 TIP3 7179 46.414 96.418 16.774 1.00 0.00 WT1 O ATOM 21038 H1 TIP3 7179 45.859 96.111 16.058 1.00 0.00 WT1 H ATOM 21039 H2 TIP3 7179 45.835 96.437 17.536 1.00 0.00 WT1 H ATOM 21040 OH2 TIP3 7180 47.605 1.577 56.358 1.00 0.00 WT1 O ATOM 21041 H1 TIP3 7180 47.815 2.127 57.113 1.00 0.00 WT1 H ATOM 21042 H2 TIP3 7180 47.100 0.851 56.722 1.00 0.00 WT1 H ATOM 21043 OH2 TIP3 7181 70.416 1.390 57.774 1.00 0.00 WT1 O ATOM 21044 H1 TIP3 7181 70.995 1.916 58.326 1.00 0.00 WT1 H ATOM 21045 H2 TIP3 7181 70.392 0.533 58.199 1.00 0.00 WT1 H ATOM 21046 OH2 TIP3 7182 35.270 9.874 29.642 1.00 0.00 WT1 O ATOM 21047 H1 TIP3 7182 35.735 9.814 30.476 1.00 0.00 WT1 H ATOM 21048 H2 TIP3 7182 34.426 10.267 29.866 1.00 0.00 WT1 H ATOM 21049 OH2 TIP3 7183 35.925 28.249 31.916 1.00 0.00 WT1 O ATOM 21050 H1 TIP3 7183 36.086 29.193 31.942 1.00 0.00 WT1 H ATOM 21051 H2 TIP3 7183 36.089 27.953 32.812 1.00 0.00 WT1 H ATOM 21052 OH2 TIP3 7184 37.763 19.603 31.559 1.00 0.00 WT1 O ATOM 21053 H1 TIP3 7184 36.858 19.909 31.623 1.00 0.00 WT1 H ATOM 21054 H2 TIP3 7184 38.239 20.339 31.176 1.00 0.00 WT1 H ATOM 21055 OH2 TIP3 7185 54.758 10.668 12.379 1.00 0.00 WT1 O ATOM 21056 H1 TIP3 7185 55.330 9.924 12.189 1.00 0.00 WT1 H ATOM 21057 H2 TIP3 7185 54.898 11.271 11.648 1.00 0.00 WT1 H ATOM 21058 OH2 TIP3 7186 82.587 27.488 -15.773 1.00 0.00 WT1 O ATOM 21059 H1 TIP3 7186 82.662 28.329 -16.223 1.00 0.00 WT1 H ATOM 21060 H2 TIP3 7186 83.193 26.912 -16.240 1.00 0.00 WT1 H ATOM 21061 OH2 TIP3 7187 60.877 47.221 30.855 1.00 0.00 WT1 O ATOM 21062 H1 TIP3 7187 60.745 48.094 30.486 1.00 0.00 WT1 H ATOM 21063 H2 TIP3 7187 60.872 46.637 30.097 1.00 0.00 WT1 H ATOM 21064 OH2 TIP3 7188 63.636 47.951 24.979 1.00 0.00 WT1 O ATOM 21065 H1 TIP3 7188 63.339 48.827 25.224 1.00 0.00 WT1 H ATOM 21066 H2 TIP3 7188 63.184 47.767 24.156 1.00 0.00 WT1 H ATOM 21067 OH2 TIP3 7189 73.011 17.629 59.003 1.00 0.00 WT1 O ATOM 21068 H1 TIP3 7189 72.717 17.255 58.172 1.00 0.00 WT1 H ATOM 21069 H2 TIP3 7189 73.310 18.509 58.777 1.00 0.00 WT1 H ATOM 21070 OH2 TIP3 7190 69.321 7.588 0.611 1.00 0.00 WT1 O ATOM 21071 H1 TIP3 7190 68.750 7.837 1.337 1.00 0.00 WT1 H ATOM 21072 H2 TIP3 7190 70.206 7.649 0.970 1.00 0.00 WT1 H ATOM 21073 OH2 TIP3 7191 87.373 33.865 -0.094 1.00 0.00 WT1 O ATOM 21074 H1 TIP3 7191 88.109 33.282 -0.280 1.00 0.00 WT1 H ATOM 21075 H2 TIP3 7191 86.902 33.437 0.621 1.00 0.00 WT1 H ATOM 21076 OH2 TIP3 7192 58.177 87.393 29.858 1.00 0.00 WT1 O ATOM 21077 H1 TIP3 7192 59.033 87.730 30.119 1.00 0.00 WT1 H ATOM 21078 H2 TIP3 7192 57.585 88.138 29.957 1.00 0.00 WT1 H ATOM 21079 OH2 TIP3 7193 31.471 41.208 20.572 1.00 0.00 WT1 O ATOM 21080 H1 TIP3 7193 31.820 42.040 20.891 1.00 0.00 WT1 H ATOM 21081 H2 TIP3 7193 30.651 41.093 21.052 1.00 0.00 WT1 H ATOM 21082 OH2 TIP3 7194 41.221 13.843 42.239 1.00 0.00 WT1 O ATOM 21083 H1 TIP3 7194 40.548 14.523 42.213 1.00 0.00 WT1 H ATOM 21084 H2 TIP3 7194 41.011 13.268 41.503 1.00 0.00 WT1 H ATOM 21085 OH2 TIP3 7195 82.061 81.022 23.152 1.00 0.00 WT1 O ATOM 21086 H1 TIP3 7195 82.716 81.531 23.629 1.00 0.00 WT1 H ATOM 21087 H2 TIP3 7195 82.186 80.123 23.456 1.00 0.00 WT1 H ATOM 21088 OH2 TIP3 7196 45.739 60.062 9.068 1.00 0.00 WT1 O ATOM 21089 H1 TIP3 7196 46.087 60.783 9.594 1.00 0.00 WT1 H ATOM 21090 H2 TIP3 7196 46.488 59.755 8.557 1.00 0.00 WT1 H ATOM 21091 OH2 TIP3 7197 86.874 39.254 58.689 1.00 0.00 WT1 O ATOM 21092 H1 TIP3 7197 87.827 39.337 58.654 1.00 0.00 WT1 H ATOM 21093 H2 TIP3 7197 86.641 38.821 57.868 1.00 0.00 WT1 H ATOM 21094 OH2 TIP3 7198 31.647 44.732 4.935 1.00 0.00 WT1 O ATOM 21095 H1 TIP3 7198 32.355 44.938 5.545 1.00 0.00 WT1 H ATOM 21096 H2 TIP3 7198 30.871 44.644 5.489 1.00 0.00 WT1 H ATOM 21097 OH2 TIP3 7199 20.979 4.511 -6.066 1.00 0.00 WT1 O ATOM 21098 H1 TIP3 7199 20.813 3.706 -6.557 1.00 0.00 WT1 H ATOM 21099 H2 TIP3 7199 20.428 5.169 -6.490 1.00 0.00 WT1 H ATOM 21100 OH2 TIP3 7200 82.693 21.626 1.053 1.00 0.00 WT1 O ATOM 21101 H1 TIP3 7200 83.291 22.338 0.827 1.00 0.00 WT1 H ATOM 21102 H2 TIP3 7200 81.996 22.048 1.555 1.00 0.00 WT1 H ATOM 21103 OH2 TIP3 7201 34.680 29.313 -2.742 1.00 0.00 WT1 O ATOM 21104 H1 TIP3 7201 35.044 30.150 -2.453 1.00 0.00 WT1 H ATOM 21105 H2 TIP3 7201 33.822 29.536 -3.101 1.00 0.00 WT1 H ATOM 21106 OH2 TIP3 7202 50.313 17.655 30.644 1.00 0.00 WT1 O ATOM 21107 H1 TIP3 7202 50.086 17.802 31.563 1.00 0.00 WT1 H ATOM 21108 H2 TIP3 7202 50.398 18.534 30.275 1.00 0.00 WT1 H ATOM 21109 OH2 TIP3 7203 54.925 50.773 47.059 1.00 0.00 WT1 O ATOM 21110 H1 TIP3 7203 54.717 50.416 46.196 1.00 0.00 WT1 H ATOM 21111 H2 TIP3 7203 55.857 50.588 47.177 1.00 0.00 WT1 H ATOM 21112 OH2 TIP3 7204 73.745 30.444 21.544 1.00 0.00 WT1 O ATOM 21113 H1 TIP3 7204 73.808 29.529 21.818 1.00 0.00 WT1 H ATOM 21114 H2 TIP3 7204 72.805 30.619 21.506 1.00 0.00 WT1 H ATOM 21115 OH2 TIP3 7205 62.750 12.588 -1.908 1.00 0.00 WT1 O ATOM 21116 H1 TIP3 7205 63.427 12.889 -2.515 1.00 0.00 WT1 H ATOM 21117 H2 TIP3 7205 62.500 13.373 -1.419 1.00 0.00 WT1 H ATOM 21118 OH2 TIP3 7206 46.395 16.860 25.591 1.00 0.00 WT1 O ATOM 21119 H1 TIP3 7206 45.441 16.938 25.587 1.00 0.00 WT1 H ATOM 21120 H2 TIP3 7206 46.696 17.556 25.007 1.00 0.00 WT1 H ATOM 21121 OH2 TIP3 7207 61.206 70.889 41.507 1.00 0.00 WT1 O ATOM 21122 H1 TIP3 7207 60.570 71.537 41.810 1.00 0.00 WT1 H ATOM 21123 H2 TIP3 7207 60.880 70.615 40.650 1.00 0.00 WT1 H ATOM 21124 OH2 TIP3 7208 69.003 51.841 -9.573 1.00 0.00 WT1 O ATOM 21125 H1 TIP3 7208 68.834 52.776 -9.692 1.00 0.00 WT1 H ATOM 21126 H2 TIP3 7208 69.897 51.800 -9.234 1.00 0.00 WT1 H ATOM 21127 OH2 TIP3 7209 47.751 15.243 22.502 1.00 0.00 WT1 O ATOM 21128 H1 TIP3 7209 46.975 15.727 22.219 1.00 0.00 WT1 H ATOM 21129 H2 TIP3 7209 48.275 15.888 22.977 1.00 0.00 WT1 H ATOM 21130 OH2 TIP3 7210 81.055 52.845 4.689 1.00 0.00 WT1 O ATOM 21131 H1 TIP3 7210 80.261 53.040 5.188 1.00 0.00 WT1 H ATOM 21132 H2 TIP3 7210 80.749 52.719 3.791 1.00 0.00 WT1 H ATOM 21133 OH2 TIP3 7211 41.475 46.973 19.120 1.00 0.00 WT1 O ATOM 21134 H1 TIP3 7211 41.278 46.169 19.602 1.00 0.00 WT1 H ATOM 21135 H2 TIP3 7211 42.065 47.459 19.695 1.00 0.00 WT1 H ATOM 21136 OH2 TIP3 7212 57.343 16.170 30.810 1.00 0.00 WT1 O ATOM 21137 H1 TIP3 7212 57.251 15.881 29.902 1.00 0.00 WT1 H ATOM 21138 H2 TIP3 7212 57.960 16.901 30.767 1.00 0.00 WT1 H ATOM 21139 OH2 TIP3 7213 39.665 77.869 2.764 1.00 0.00 WT1 O ATOM 21140 H1 TIP3 7213 40.437 77.350 2.539 1.00 0.00 WT1 H ATOM 21141 H2 TIP3 7213 39.209 77.993 1.932 1.00 0.00 WT1 H ATOM 21142 OH2 TIP3 7215 80.026 92.881 35.910 1.00 0.00 WT1 O ATOM 21143 H1 TIP3 7215 80.829 93.310 35.617 1.00 0.00 WT1 H ATOM 21144 H2 TIP3 7215 80.291 91.982 36.104 1.00 0.00 WT1 H ATOM 21145 OH2 TIP3 7216 87.262 59.708 63.519 1.00 0.00 WT1 O ATOM 21146 H1 TIP3 7216 86.496 59.552 64.072 1.00 0.00 WT1 H ATOM 21147 H2 TIP3 7216 86.908 60.114 62.728 1.00 0.00 WT1 H ATOM 21148 OH2 TIP3 7217 28.800 18.454 -17.070 1.00 0.00 WT1 O ATOM 21149 H1 TIP3 7217 28.018 18.958 -17.298 1.00 0.00 WT1 H ATOM 21150 H2 TIP3 7217 28.639 18.152 -16.177 1.00 0.00 WT1 H ATOM 21151 OH2 TIP3 7219 67.841 54.970 3.789 1.00 0.00 WT1 O ATOM 21152 H1 TIP3 7219 67.332 54.195 4.026 1.00 0.00 WT1 H ATOM 21153 H2 TIP3 7219 67.695 55.582 4.510 1.00 0.00 WT1 H ATOM 21154 OH2 TIP3 7220 31.632 64.420 45.200 1.00 0.00 WT1 O ATOM 21155 H1 TIP3 7220 32.453 64.153 45.613 1.00 0.00 WT1 H ATOM 21156 H2 TIP3 7220 31.901 64.846 44.386 1.00 0.00 WT1 H ATOM 21157 OH2 TIP3 7221 73.442 29.018 62.938 1.00 0.00 WT1 O ATOM 21158 H1 TIP3 7221 73.643 28.879 62.013 1.00 0.00 WT1 H ATOM 21159 H2 TIP3 7221 73.692 29.927 63.104 1.00 0.00 WT1 H ATOM 21160 OH2 TIP3 7222 75.890 80.164 59.492 1.00 0.00 WT1 O ATOM 21161 H1 TIP3 7222 75.511 79.638 60.196 1.00 0.00 WT1 H ATOM 21162 H2 TIP3 7222 76.000 81.034 59.875 1.00 0.00 WT1 H ATOM 21163 OH2 TIP3 7223 57.711 11.912 23.367 1.00 0.00 WT1 O ATOM 21164 H1 TIP3 7223 58.337 12.624 23.500 1.00 0.00 WT1 H ATOM 21165 H2 TIP3 7223 58.170 11.291 22.802 1.00 0.00 WT1 H ATOM 21166 OH2 TIP3 7224 42.512 0.581 -15.320 1.00 0.00 WT1 O ATOM 21167 H1 TIP3 7224 42.198 0.874 -14.465 1.00 0.00 WT1 H ATOM 21168 H2 TIP3 7224 41.743 0.634 -15.888 1.00 0.00 WT1 H ATOM 21169 OH2 TIP3 7225 47.496 86.767 53.540 1.00 0.00 WT1 O ATOM 21170 H1 TIP3 7225 46.774 86.739 54.168 1.00 0.00 WT1 H ATOM 21171 H2 TIP3 7225 47.183 86.258 52.792 1.00 0.00 WT1 H ATOM 21172 OH2 TIP3 7226 89.414 32.120 49.455 1.00 0.00 WT1 O ATOM 21173 H1 TIP3 7226 90.188 32.682 49.508 1.00 0.00 WT1 H ATOM 21174 H2 TIP3 7226 88.679 32.730 49.392 1.00 0.00 WT1 H ATOM 21175 OH2 TIP3 7227 76.565 27.947 -8.261 1.00 0.00 WT1 O ATOM 21176 H1 TIP3 7227 75.655 28.171 -8.066 1.00 0.00 WT1 H ATOM 21177 H2 TIP3 7227 76.750 28.395 -9.086 1.00 0.00 WT1 H ATOM 21178 OH2 TIP3 7228 62.913 41.456 9.815 1.00 0.00 WT1 O ATOM 21179 H1 TIP3 7228 63.780 41.699 10.140 1.00 0.00 WT1 H ATOM 21180 H2 TIP3 7228 63.077 40.736 9.207 1.00 0.00 WT1 H ATOM 21181 OH2 TIP3 7229 34.666 95.162 1.134 1.00 0.00 WT1 O ATOM 21182 H1 TIP3 7229 34.976 96.020 1.423 1.00 0.00 WT1 H ATOM 21183 H2 TIP3 7229 35.372 94.560 1.371 1.00 0.00 WT1 H ATOM 21184 OH2 TIP3 7230 38.942 28.433 9.157 1.00 0.00 WT1 O ATOM 21185 H1 TIP3 7230 39.198 28.365 10.077 1.00 0.00 WT1 H ATOM 21186 H2 TIP3 7230 38.533 29.295 9.085 1.00 0.00 WT1 H ATOM 21187 OH2 TIP3 7231 54.732 26.962 0.337 1.00 0.00 WT1 O ATOM 21188 H1 TIP3 7231 54.816 27.269 -0.565 1.00 0.00 WT1 H ATOM 21189 H2 TIP3 7231 54.822 27.752 0.870 1.00 0.00 WT1 H ATOM 21190 OH2 TIP3 7232 68.189 43.299 52.553 1.00 0.00 WT1 O ATOM 21191 H1 TIP3 7232 67.999 43.273 53.491 1.00 0.00 WT1 H ATOM 21192 H2 TIP3 7232 67.903 42.445 52.227 1.00 0.00 WT1 H ATOM 21193 OH2 TIP3 7233 52.171 51.169 -5.496 1.00 0.00 WT1 O ATOM 21194 H1 TIP3 7233 51.854 50.823 -4.662 1.00 0.00 WT1 H ATOM 21195 H2 TIP3 7233 52.698 51.931 -5.254 1.00 0.00 WT1 H ATOM 21196 OH2 TIP3 7234 41.472 11.436 16.090 1.00 0.00 WT1 O ATOM 21197 H1 TIP3 7234 40.583 11.508 16.439 1.00 0.00 WT1 H ATOM 21198 H2 TIP3 7234 41.577 12.212 15.540 1.00 0.00 WT1 H ATOM 21199 OH2 TIP3 7235 40.177 5.829 -6.201 1.00 0.00 WT1 O ATOM 21200 H1 TIP3 7235 39.950 6.759 -6.210 1.00 0.00 WT1 H ATOM 21201 H2 TIP3 7235 41.130 5.813 -6.289 1.00 0.00 WT1 H ATOM 21202 OH2 TIP3 7236 90.339 19.626 56.889 1.00 0.00 WT1 O ATOM 21203 H1 TIP3 7236 89.595 20.167 56.622 1.00 0.00 WT1 H ATOM 21204 H2 TIP3 7236 90.512 19.887 57.794 1.00 0.00 WT1 H ATOM 21205 OH2 TIP3 7237 32.524 65.054 7.060 1.00 0.00 WT1 O ATOM 21206 H1 TIP3 7237 32.543 64.999 8.016 1.00 0.00 WT1 H ATOM 21207 H2 TIP3 7237 32.893 65.915 6.862 1.00 0.00 WT1 H ATOM 21208 OH2 TIP3 7238 26.306 17.521 4.104 1.00 0.00 WT1 O ATOM 21209 H1 TIP3 7238 26.962 17.665 3.421 1.00 0.00 WT1 H ATOM 21210 H2 TIP3 7238 25.541 18.016 3.810 1.00 0.00 WT1 H ATOM 21211 OH2 TIP3 7239 26.037 65.886 0.757 1.00 0.00 WT1 O ATOM 21212 H1 TIP3 7239 26.160 66.070 1.689 1.00 0.00 WT1 H ATOM 21213 H2 TIP3 7239 26.828 65.412 0.500 1.00 0.00 WT1 H ATOM 21214 OH2 TIP3 7240 77.751 15.354 44.846 1.00 0.00 WT1 O ATOM 21215 H1 TIP3 7240 77.926 14.579 44.312 1.00 0.00 WT1 H ATOM 21216 H2 TIP3 7240 77.312 15.961 44.250 1.00 0.00 WT1 H ATOM 21217 OH2 TIP3 7241 59.685 20.745 16.430 1.00 0.00 WT1 O ATOM 21218 H1 TIP3 7241 59.466 21.440 17.051 1.00 0.00 WT1 H ATOM 21219 H2 TIP3 7241 59.874 21.205 15.612 1.00 0.00 WT1 H ATOM 21220 OH2 TIP3 7242 88.020 39.098 47.832 1.00 0.00 WT1 O ATOM 21221 H1 TIP3 7242 88.953 38.995 47.644 1.00 0.00 WT1 H ATOM 21222 H2 TIP3 7242 87.973 39.162 48.786 1.00 0.00 WT1 H ATOM 21223 OH2 TIP3 7243 36.923 86.085 38.587 1.00 0.00 WT1 O ATOM 21224 H1 TIP3 7243 37.838 85.962 38.840 1.00 0.00 WT1 H ATOM 21225 H2 TIP3 7243 36.742 85.363 37.985 1.00 0.00 WT1 H ATOM 21226 OH2 TIP3 7244 69.276 45.958 33.932 1.00 0.00 WT1 O ATOM 21227 H1 TIP3 7244 68.895 46.519 34.608 1.00 0.00 WT1 H ATOM 21228 H2 TIP3 7244 68.620 45.944 33.235 1.00 0.00 WT1 H ATOM 21229 OH2 TIP3 7245 38.299 16.702 -15.820 1.00 0.00 WT1 O ATOM 21230 H1 TIP3 7245 39.229 16.918 -15.882 1.00 0.00 WT1 H ATOM 21231 H2 TIP3 7245 38.112 16.709 -14.881 1.00 0.00 WT1 H ATOM 21232 OH2 TIP3 7246 69.453 33.584 40.627 1.00 0.00 WT1 O ATOM 21233 H1 TIP3 7246 68.579 33.625 40.241 1.00 0.00 WT1 H ATOM 21234 H2 TIP3 7246 70.043 33.827 39.913 1.00 0.00 WT1 H ATOM 21235 OH2 TIP3 7247 60.491 29.447 43.924 1.00 0.00 WT1 O ATOM 21236 H1 TIP3 7247 59.627 29.851 44.003 1.00 0.00 WT1 H ATOM 21237 H2 TIP3 7247 60.477 29.013 43.072 1.00 0.00 WT1 H ATOM 21238 OH2 TIP3 7248 20.410 68.116 33.136 1.00 0.00 WT1 O ATOM 21239 H1 TIP3 7248 20.206 68.664 32.379 1.00 0.00 WT1 H ATOM 21240 H2 TIP3 7248 20.450 67.226 32.785 1.00 0.00 WT1 H ATOM 21241 OH2 TIP3 7249 26.040 53.547 -10.935 1.00 0.00 WT1 O ATOM 21242 H1 TIP3 7249 25.862 54.461 -10.715 1.00 0.00 WT1 H ATOM 21243 H2 TIP3 7249 26.189 53.122 -10.090 1.00 0.00 WT1 H ATOM 21244 OH2 TIP3 7250 31.908 7.596 8.719 1.00 0.00 WT1 O ATOM 21245 H1 TIP3 7250 32.425 8.345 9.014 1.00 0.00 WT1 H ATOM 21246 H2 TIP3 7250 32.402 7.240 7.980 1.00 0.00 WT1 H ATOM 21247 OH2 TIP3 7251 46.455 5.854 -7.453 1.00 0.00 WT1 O ATOM 21248 H1 TIP3 7251 45.895 6.601 -7.664 1.00 0.00 WT1 H ATOM 21249 H2 TIP3 7251 47.309 6.084 -7.820 1.00 0.00 WT1 H ATOM 21250 OH2 TIP3 7252 74.854 41.099 39.378 1.00 0.00 WT1 O ATOM 21251 H1 TIP3 7252 75.207 40.536 38.688 1.00 0.00 WT1 H ATOM 21252 H2 TIP3 7252 74.662 40.502 40.100 1.00 0.00 WT1 H ATOM 21253 OH2 TIP3 7253 20.828 34.246 41.546 1.00 0.00 WT1 O ATOM 21254 H1 TIP3 7253 21.764 34.074 41.645 1.00 0.00 WT1 H ATOM 21255 H2 TIP3 7253 20.657 34.987 42.128 1.00 0.00 WT1 H ATOM 21256 OH2 TIP3 7254 37.131 83.145 60.258 1.00 0.00 WT1 O ATOM 21257 H1 TIP3 7254 37.597 83.333 59.444 1.00 0.00 WT1 H ATOM 21258 H2 TIP3 7254 36.387 82.605 59.989 1.00 0.00 WT1 H ATOM 21259 OH2 TIP3 7255 81.152 51.162 9.909 1.00 0.00 WT1 O ATOM 21260 H1 TIP3 7255 81.596 50.549 10.495 1.00 0.00 WT1 H ATOM 21261 H2 TIP3 7255 80.220 51.002 10.056 1.00 0.00 WT1 H ATOM 21262 OH2 TIP3 7256 31.707 35.361 1.830 1.00 0.00 WT1 O ATOM 21263 H1 TIP3 7256 32.307 35.540 1.107 1.00 0.00 WT1 H ATOM 21264 H2 TIP3 7256 32.147 34.684 2.345 1.00 0.00 WT1 H ATOM 21265 OH2 TIP3 7257 37.496 78.922 27.059 1.00 0.00 WT1 O ATOM 21266 H1 TIP3 7257 37.619 79.404 26.241 1.00 0.00 WT1 H ATOM 21267 H2 TIP3 7257 38.128 78.205 27.013 1.00 0.00 WT1 H ATOM 21268 OH2 TIP3 7258 74.378 72.010 -19.207 1.00 0.00 WT1 O ATOM 21269 H1 TIP3 7258 74.606 71.653 -18.348 1.00 0.00 WT1 H ATOM 21270 H2 TIP3 7258 74.855 72.839 -19.256 1.00 0.00 WT1 H ATOM 21271 OH2 TIP3 7259 87.038 86.899 5.821 1.00 0.00 WT1 O ATOM 21272 H1 TIP3 7259 86.140 86.658 6.049 1.00 0.00 WT1 H ATOM 21273 H2 TIP3 7259 87.582 86.416 6.443 1.00 0.00 WT1 H ATOM 21274 OH2 TIP3 7260 76.776 47.324 -3.659 1.00 0.00 WT1 O ATOM 21275 H1 TIP3 7260 76.580 46.388 -3.677 1.00 0.00 WT1 H ATOM 21276 H2 TIP3 7260 77.245 47.455 -2.835 1.00 0.00 WT1 H ATOM 21277 OH2 TIP3 7261 29.934 9.864 43.078 1.00 0.00 WT1 O ATOM 21278 H1 TIP3 7261 29.837 9.460 42.215 1.00 0.00 WT1 H ATOM 21279 H2 TIP3 7261 30.533 9.285 43.549 1.00 0.00 WT1 H ATOM 21280 OH2 TIP3 7264 56.166 0.550 38.777 1.00 0.00 WT1 O ATOM 21281 H1 TIP3 7264 56.124 1.121 39.543 1.00 0.00 WT1 H ATOM 21282 H2 TIP3 7264 56.930 0.858 38.289 1.00 0.00 WT1 H ATOM 21283 OH2 TIP3 7265 86.100 52.627 54.652 1.00 0.00 WT1 O ATOM 21284 H1 TIP3 7265 86.550 52.415 53.834 1.00 0.00 WT1 H ATOM 21285 H2 TIP3 7265 85.176 52.685 54.409 1.00 0.00 WT1 H ATOM 21286 OH2 TIP3 7266 51.540 42.603 34.776 1.00 0.00 WT1 O ATOM 21287 H1 TIP3 7266 50.656 42.627 35.143 1.00 0.00 WT1 H ATOM 21288 H2 TIP3 7266 51.421 42.276 33.884 1.00 0.00 WT1 H ATOM 21289 OH2 TIP3 7267 72.484 78.595 64.731 1.00 0.00 WT1 O ATOM 21290 H1 TIP3 7267 72.127 79.050 63.969 1.00 0.00 WT1 H ATOM 21291 H2 TIP3 7267 71.820 77.942 64.953 1.00 0.00 WT1 H ATOM 21292 OH2 TIP3 7268 74.481 11.479 62.908 1.00 0.00 WT1 O ATOM 21293 H1 TIP3 7268 73.848 12.105 63.259 1.00 0.00 WT1 H ATOM 21294 H2 TIP3 7268 74.469 11.631 61.963 1.00 0.00 WT1 H ATOM 21295 OH2 TIP3 7269 78.539 7.613 55.992 1.00 0.00 WT1 O ATOM 21296 H1 TIP3 7269 77.608 7.409 56.074 1.00 0.00 WT1 H ATOM 21297 H2 TIP3 7269 78.852 7.673 56.894 1.00 0.00 WT1 H ATOM 21298 OH2 TIP3 7270 51.325 44.302 -14.563 1.00 0.00 WT1 O ATOM 21299 H1 TIP3 7270 51.309 44.661 -13.676 1.00 0.00 WT1 H ATOM 21300 H2 TIP3 7270 50.906 43.445 -14.483 1.00 0.00 WT1 H ATOM 21301 OH2 TIP3 7271 55.828 51.127 0.061 1.00 0.00 WT1 O ATOM 21302 H1 TIP3 7271 56.459 51.801 -0.191 1.00 0.00 WT1 H ATOM 21303 H2 TIP3 7271 55.685 51.269 0.997 1.00 0.00 WT1 H ATOM 21304 OH2 TIP3 7272 89.726 8.960 -19.177 1.00 0.00 WT1 O ATOM 21305 H1 TIP3 7272 89.271 8.341 -19.747 1.00 0.00 WT1 H ATOM 21306 H2 TIP3 7272 90.654 8.829 -19.372 1.00 0.00 WT1 H ATOM 21307 OH2 TIP3 7273 66.124 52.189 -16.837 1.00 0.00 WT1 O ATOM 21308 H1 TIP3 7273 65.542 51.479 -16.564 1.00 0.00 WT1 H ATOM 21309 H2 TIP3 7273 65.546 52.823 -17.262 1.00 0.00 WT1 H ATOM 21310 OH2 TIP3 7275 64.298 41.423 34.594 1.00 0.00 WT1 O ATOM 21311 H1 TIP3 7275 64.977 42.071 34.779 1.00 0.00 WT1 H ATOM 21312 H2 TIP3 7275 63.810 41.790 33.857 1.00 0.00 WT1 H ATOM 21313 OH2 TIP3 7276 21.493 33.335 48.969 1.00 0.00 WT1 O ATOM 21314 H1 TIP3 7276 22.107 32.989 49.616 1.00 0.00 WT1 H ATOM 21315 H2 TIP3 7276 21.943 34.090 48.590 1.00 0.00 WT1 H ATOM 21316 OH2 TIP3 7277 40.142 24.874 41.147 1.00 0.00 WT1 O ATOM 21317 H1 TIP3 7277 40.928 24.544 41.581 1.00 0.00 WT1 H ATOM 21318 H2 TIP3 7277 40.397 24.970 40.229 1.00 0.00 WT1 H ATOM 21319 OH2 TIP3 7278 53.284 25.750 -11.012 1.00 0.00 WT1 O ATOM 21320 H1 TIP3 7278 52.876 26.019 -10.189 1.00 0.00 WT1 H ATOM 21321 H2 TIP3 7278 54.158 25.453 -10.760 1.00 0.00 WT1 H ATOM 21322 OH2 TIP3 7279 61.966 43.060 35.724 1.00 0.00 WT1 O ATOM 21323 H1 TIP3 7279 61.454 43.858 35.592 1.00 0.00 WT1 H ATOM 21324 H2 TIP3 7279 62.846 43.372 35.937 1.00 0.00 WT1 H ATOM 21325 OH2 TIP3 7280 53.796 23.991 43.943 1.00 0.00 WT1 O ATOM 21326 H1 TIP3 7280 54.120 24.399 44.746 1.00 0.00 WT1 H ATOM 21327 H2 TIP3 7280 52.851 24.142 43.962 1.00 0.00 WT1 H ATOM 21328 OH2 TIP3 7281 41.142 77.801 51.405 1.00 0.00 WT1 O ATOM 21329 H1 TIP3 7281 40.400 77.219 51.244 1.00 0.00 WT1 H ATOM 21330 H2 TIP3 7281 41.887 77.212 51.525 1.00 0.00 WT1 H ATOM 21331 OH2 TIP3 7282 26.743 37.780 -13.349 1.00 0.00 WT1 O ATOM 21332 H1 TIP3 7282 26.905 37.704 -14.289 1.00 0.00 WT1 H ATOM 21333 H2 TIP3 7282 27.376 38.431 -13.047 1.00 0.00 WT1 H ATOM 21334 OH2 TIP3 7283 74.357 54.692 11.539 1.00 0.00 WT1 O ATOM 21335 H1 TIP3 7283 73.616 55.173 11.170 1.00 0.00 WT1 H ATOM 21336 H2 TIP3 7283 74.133 54.578 12.463 1.00 0.00 WT1 H ATOM 21337 OH2 TIP3 7284 22.257 90.469 32.214 1.00 0.00 WT1 O ATOM 21338 H1 TIP3 7284 23.141 90.834 32.212 1.00 0.00 WT1 H ATOM 21339 H2 TIP3 7284 21.887 90.733 31.371 1.00 0.00 WT1 H ATOM 21340 OH2 TIP3 7285 79.097 88.032 36.526 1.00 0.00 WT1 O ATOM 21341 H1 TIP3 7285 78.411 88.585 36.150 1.00 0.00 WT1 H ATOM 21342 H2 TIP3 7285 78.689 87.633 37.294 1.00 0.00 WT1 H ATOM 21343 OH2 TIP3 7286 88.878 52.122 45.383 1.00 0.00 WT1 O ATOM 21344 H1 TIP3 7286 89.642 51.641 45.064 1.00 0.00 WT1 H ATOM 21345 H2 TIP3 7286 88.847 51.929 46.320 1.00 0.00 WT1 H ATOM 21346 OH2 TIP3 7287 67.957 49.930 17.752 1.00 0.00 WT1 O ATOM 21347 H1 TIP3 7287 68.187 49.086 17.363 1.00 0.00 WT1 H ATOM 21348 H2 TIP3 7287 67.000 49.948 17.740 1.00 0.00 WT1 H ATOM 21349 OH2 TIP3 7288 87.555 33.706 -12.817 1.00 0.00 WT1 O ATOM 21350 H1 TIP3 7288 87.819 32.983 -13.386 1.00 0.00 WT1 H ATOM 21351 H2 TIP3 7288 87.874 34.490 -13.263 1.00 0.00 WT1 H ATOM 21352 OH2 TIP3 7289 87.755 94.296 -8.588 1.00 0.00 WT1 O ATOM 21353 H1 TIP3 7289 87.272 93.926 -9.327 1.00 0.00 WT1 H ATOM 21354 H2 TIP3 7289 88.650 94.396 -8.912 1.00 0.00 WT1 H ATOM 21355 OH2 TIP3 7290 64.241 29.233 26.532 1.00 0.00 WT1 O ATOM 21356 H1 TIP3 7290 64.567 30.063 26.186 1.00 0.00 WT1 H ATOM 21357 H2 TIP3 7290 63.974 28.738 25.757 1.00 0.00 WT1 H ATOM 21358 OH2 TIP3 7291 62.768 35.016 27.181 1.00 0.00 WT1 O ATOM 21359 H1 TIP3 7291 63.360 35.325 27.868 1.00 0.00 WT1 H ATOM 21360 H2 TIP3 7291 62.103 35.701 27.112 1.00 0.00 WT1 H ATOM 21361 OH2 TIP3 7293 77.567 14.355 -11.096 1.00 0.00 WT1 O ATOM 21362 H1 TIP3 7293 77.170 15.225 -11.047 1.00 0.00 WT1 H ATOM 21363 H2 TIP3 7293 76.901 13.767 -10.741 1.00 0.00 WT1 H ATOM 21364 OH2 TIP3 7294 86.728 60.801 8.896 1.00 0.00 WT1 O ATOM 21365 H1 TIP3 7294 87.190 60.002 8.642 1.00 0.00 WT1 H ATOM 21366 H2 TIP3 7294 87.314 61.229 9.520 1.00 0.00 WT1 H ATOM 21367 OH2 TIP3 7295 90.078 57.835 35.371 1.00 0.00 WT1 O ATOM 21368 H1 TIP3 7295 89.688 57.067 35.788 1.00 0.00 WT1 H ATOM 21369 H2 TIP3 7295 89.393 58.503 35.411 1.00 0.00 WT1 H ATOM 21370 OH2 TIP3 7297 52.367 96.680 14.890 1.00 0.00 WT1 O ATOM 21371 H1 TIP3 7297 52.807 96.327 14.117 1.00 0.00 WT1 H ATOM 21372 H2 TIP3 7297 53.031 96.649 15.579 1.00 0.00 WT1 H ATOM 21373 OH2 TIP3 7298 35.929 12.702 5.457 1.00 0.00 WT1 O ATOM 21374 H1 TIP3 7298 35.050 12.365 5.284 1.00 0.00 WT1 H ATOM 21375 H2 TIP3 7298 36.334 12.040 6.018 1.00 0.00 WT1 H ATOM 21376 OH2 TIP3 7299 56.505 27.888 -5.229 1.00 0.00 WT1 O ATOM 21377 H1 TIP3 7299 56.580 28.604 -4.598 1.00 0.00 WT1 H ATOM 21378 H2 TIP3 7299 56.089 27.180 -4.738 1.00 0.00 WT1 H ATOM 21379 OH2 TIP3 7300 66.735 88.587 -4.039 1.00 0.00 WT1 O ATOM 21380 H1 TIP3 7300 65.860 88.634 -4.424 1.00 0.00 WT1 H ATOM 21381 H2 TIP3 7300 66.599 88.181 -3.183 1.00 0.00 WT1 H ATOM 21382 OH2 TIP3 7301 20.680 92.560 -2.771 1.00 0.00 WT1 O ATOM 21383 H1 TIP3 7301 21.098 92.249 -1.968 1.00 0.00 WT1 H ATOM 21384 H2 TIP3 7301 20.606 91.781 -3.321 1.00 0.00 WT1 H ATOM 21385 OH2 TIP3 7302 79.155 35.511 9.232 1.00 0.00 WT1 O ATOM 21386 H1 TIP3 7302 79.249 34.772 9.834 1.00 0.00 WT1 H ATOM 21387 H2 TIP3 7302 78.363 35.961 9.527 1.00 0.00 WT1 H ATOM 21388 OH2 TIP3 7304 86.048 33.261 32.800 1.00 0.00 WT1 O ATOM 21389 H1 TIP3 7304 86.655 32.779 33.361 1.00 0.00 WT1 H ATOM 21390 H2 TIP3 7304 85.296 32.676 32.701 1.00 0.00 WT1 H ATOM 21391 OH2 TIP3 7305 84.363 31.800 -3.475 1.00 0.00 WT1 O ATOM 21392 H1 TIP3 7305 83.846 32.069 -2.715 1.00 0.00 WT1 H ATOM 21393 H2 TIP3 7305 85.147 32.348 -3.437 1.00 0.00 WT1 H ATOM 21394 OH2 TIP3 7306 84.157 96.777 0.205 1.00 0.00 WT1 O ATOM 21395 H1 TIP3 7306 84.678 97.207 -0.474 1.00 0.00 WT1 H ATOM 21396 H2 TIP3 7306 84.688 96.028 0.476 1.00 0.00 WT1 H ATOM 21397 OH2 TIP3 7307 47.207 34.474 -6.834 1.00 0.00 WT1 O ATOM 21398 H1 TIP3 7307 46.324 34.770 -7.054 1.00 0.00 WT1 H ATOM 21399 H2 TIP3 7307 47.575 35.184 -6.308 1.00 0.00 WT1 H ATOM 21400 OH2 TIP3 7309 29.666 35.837 37.573 1.00 0.00 WT1 O ATOM 21401 H1 TIP3 7309 28.726 35.840 37.390 1.00 0.00 WT1 H ATOM 21402 H2 TIP3 7309 30.078 35.828 36.709 1.00 0.00 WT1 H ATOM 21403 OH2 TIP3 7310 35.585 55.508 16.027 1.00 0.00 WT1 O ATOM 21404 H1 TIP3 7310 35.939 55.636 16.907 1.00 0.00 WT1 H ATOM 21405 H2 TIP3 7310 36.162 56.021 15.460 1.00 0.00 WT1 H ATOM 21406 OH2 TIP3 7312 88.128 63.298 5.286 1.00 0.00 WT1 O ATOM 21407 H1 TIP3 7312 87.735 62.426 5.315 1.00 0.00 WT1 H ATOM 21408 H2 TIP3 7312 88.860 63.253 5.901 1.00 0.00 WT1 H ATOM 21409 OH2 TIP3 7313 20.349 94.994 56.090 1.00 0.00 WT1 O ATOM 21410 H1 TIP3 7313 19.861 94.552 56.784 1.00 0.00 WT1 H ATOM 21411 H2 TIP3 7313 20.846 95.676 56.542 1.00 0.00 WT1 H ATOM 21412 OH2 TIP3 7314 35.464 12.711 62.040 1.00 0.00 WT1 O ATOM 21413 H1 TIP3 7314 35.829 12.215 62.772 1.00 0.00 WT1 H ATOM 21414 H2 TIP3 7314 36.195 12.817 61.432 1.00 0.00 WT1 H ATOM 21415 OH2 TIP3 7315 50.822 8.902 38.406 1.00 0.00 WT1 O ATOM 21416 H1 TIP3 7315 51.681 8.545 38.633 1.00 0.00 WT1 H ATOM 21417 H2 TIP3 7315 50.985 9.830 38.236 1.00 0.00 WT1 H ATOM 21418 OH2 TIP3 7318 82.224 39.023 51.879 1.00 0.00 WT1 O ATOM 21419 H1 TIP3 7318 82.109 39.343 52.774 1.00 0.00 WT1 H ATOM 21420 H2 TIP3 7318 81.551 38.351 51.776 1.00 0.00 WT1 H ATOM 21421 OH2 TIP3 7319 60.743 63.202 21.382 1.00 0.00 WT1 O ATOM 21422 H1 TIP3 7319 60.524 64.125 21.256 1.00 0.00 WT1 H ATOM 21423 H2 TIP3 7319 60.277 62.747 20.679 1.00 0.00 WT1 H ATOM 21424 OH2 TIP3 7320 64.540 6.726 47.953 1.00 0.00 WT1 O ATOM 21425 H1 TIP3 7320 65.100 5.960 48.073 1.00 0.00 WT1 H ATOM 21426 H2 TIP3 7320 64.083 6.562 47.128 1.00 0.00 WT1 H ATOM 21427 OH2 TIP3 7322 80.171 59.826 42.387 1.00 0.00 WT1 O ATOM 21428 H1 TIP3 7322 79.861 60.732 42.361 1.00 0.00 WT1 H ATOM 21429 H2 TIP3 7322 79.641 59.373 41.731 1.00 0.00 WT1 H ATOM 21430 OH2 TIP3 7323 81.375 50.178 -9.015 1.00 0.00 WT1 O ATOM 21431 H1 TIP3 7323 81.634 50.886 -9.605 1.00 0.00 WT1 H ATOM 21432 H2 TIP3 7323 81.317 50.593 -8.154 1.00 0.00 WT1 H ATOM 21433 OH2 TIP3 7324 34.984 80.416 -16.446 1.00 0.00 WT1 O ATOM 21434 H1 TIP3 7324 35.372 81.080 -15.876 1.00 0.00 WT1 H ATOM 21435 H2 TIP3 7324 34.108 80.274 -16.088 1.00 0.00 WT1 H ATOM 21436 OH2 TIP3 7325 21.500 30.735 4.324 1.00 0.00 WT1 O ATOM 21437 H1 TIP3 7325 21.789 31.646 4.378 1.00 0.00 WT1 H ATOM 21438 H2 TIP3 7325 20.723 30.762 3.766 1.00 0.00 WT1 H ATOM 21439 OH2 TIP3 7326 34.419 18.293 36.153 1.00 0.00 WT1 O ATOM 21440 H1 TIP3 7326 34.386 18.432 35.206 1.00 0.00 WT1 H ATOM 21441 H2 TIP3 7326 34.110 19.118 36.527 1.00 0.00 WT1 H ATOM 21442 OH2 TIP3 7328 68.303 17.137 7.269 1.00 0.00 WT1 O ATOM 21443 H1 TIP3 7328 68.528 17.718 7.997 1.00 0.00 WT1 H ATOM 21444 H2 TIP3 7328 69.081 17.139 6.712 1.00 0.00 WT1 H ATOM 21445 OH2 TIP3 7329 35.593 21.162 -3.599 1.00 0.00 WT1 O ATOM 21446 H1 TIP3 7329 34.847 21.668 -3.276 1.00 0.00 WT1 H ATOM 21447 H2 TIP3 7329 36.149 21.807 -4.036 1.00 0.00 WT1 H ATOM 21448 OH2 TIP3 7330 58.990 56.294 -4.291 1.00 0.00 WT1 O ATOM 21449 H1 TIP3 7330 58.696 56.189 -3.386 1.00 0.00 WT1 H ATOM 21450 H2 TIP3 7330 59.666 56.970 -4.247 1.00 0.00 WT1 H ATOM 21451 OH2 TIP3 7331 26.857 20.170 -6.211 1.00 0.00 WT1 O ATOM 21452 H1 TIP3 7331 26.198 20.532 -5.619 1.00 0.00 WT1 H ATOM 21453 H2 TIP3 7331 27.247 20.935 -6.633 1.00 0.00 WT1 H ATOM 21454 OH2 TIP3 7332 59.777 48.175 51.923 1.00 0.00 WT1 O ATOM 21455 H1 TIP3 7332 60.605 48.100 51.449 1.00 0.00 WT1 H ATOM 21456 H2 TIP3 7332 59.637 47.306 52.300 1.00 0.00 WT1 H ATOM 21457 OH2 TIP3 7333 72.950 56.370 40.749 1.00 0.00 WT1 O ATOM 21458 H1 TIP3 7333 72.297 55.901 40.229 1.00 0.00 WT1 H ATOM 21459 H2 TIP3 7333 73.116 57.175 40.258 1.00 0.00 WT1 H ATOM 21460 OH2 TIP3 7334 76.847 66.008 13.689 1.00 0.00 WT1 O ATOM 21461 H1 TIP3 7334 75.913 65.798 13.697 1.00 0.00 WT1 H ATOM 21462 H2 TIP3 7334 77.283 65.166 13.823 1.00 0.00 WT1 H ATOM 21463 OH2 TIP3 7335 64.929 49.597 0.019 1.00 0.00 WT1 O ATOM 21464 H1 TIP3 7335 63.994 49.693 0.200 1.00 0.00 WT1 H ATOM 21465 H2 TIP3 7335 65.289 50.475 0.143 1.00 0.00 WT1 H ATOM 21466 OH2 TIP3 7336 75.926 46.737 42.485 1.00 0.00 WT1 O ATOM 21467 H1 TIP3 7336 75.814 45.986 41.902 1.00 0.00 WT1 H ATOM 21468 H2 TIP3 7336 75.130 47.255 42.365 1.00 0.00 WT1 H ATOM 21469 OH2 TIP3 7337 23.240 60.954 15.322 1.00 0.00 WT1 O ATOM 21470 H1 TIP3 7337 24.163 61.200 15.265 1.00 0.00 WT1 H ATOM 21471 H2 TIP3 7337 23.151 60.554 16.187 1.00 0.00 WT1 H ATOM 21472 OH2 TIP3 7338 85.751 24.146 58.911 1.00 0.00 WT1 O ATOM 21473 H1 TIP3 7338 85.763 24.213 57.956 1.00 0.00 WT1 H ATOM 21474 H2 TIP3 7338 85.145 24.831 59.192 1.00 0.00 WT1 H ATOM 21475 OH2 TIP3 7339 28.220 15.387 49.860 1.00 0.00 WT1 O ATOM 21476 H1 TIP3 7339 27.511 14.933 50.316 1.00 0.00 WT1 H ATOM 21477 H2 TIP3 7339 27.797 16.142 49.450 1.00 0.00 WT1 H ATOM 21478 OH2 TIP3 7340 34.244 78.599 61.114 1.00 0.00 WT1 O ATOM 21479 H1 TIP3 7340 34.671 77.764 60.923 1.00 0.00 WT1 H ATOM 21480 H2 TIP3 7340 33.365 78.509 60.745 1.00 0.00 WT1 H ATOM 21481 OH2 TIP3 7342 52.037 53.964 59.995 1.00 0.00 WT1 O ATOM 21482 H1 TIP3 7342 52.003 54.814 60.436 1.00 0.00 WT1 H ATOM 21483 H2 TIP3 7342 51.139 53.807 59.706 1.00 0.00 WT1 H ATOM 21484 OH2 TIP3 7343 37.195 48.348 -13.245 1.00 0.00 WT1 O ATOM 21485 H1 TIP3 7343 38.118 48.106 -13.165 1.00 0.00 WT1 H ATOM 21486 H2 TIP3 7343 37.131 48.765 -14.104 1.00 0.00 WT1 H ATOM 21487 OH2 TIP3 7344 67.284 57.981 -1.960 1.00 0.00 WT1 O ATOM 21488 H1 TIP3 7344 66.546 58.245 -1.411 1.00 0.00 WT1 H ATOM 21489 H2 TIP3 7344 68.048 58.060 -1.388 1.00 0.00 WT1 H ATOM 21490 OH2 TIP3 7346 74.275 1.225 64.206 1.00 0.00 WT1 O ATOM 21491 H1 TIP3 7346 73.361 1.032 63.998 1.00 0.00 WT1 H ATOM 21492 H2 TIP3 7346 74.358 2.169 64.069 1.00 0.00 WT1 H ATOM 21493 OH2 TIP3 7348 55.061 68.386 -19.495 1.00 0.00 WT1 O ATOM 21494 H1 TIP3 7348 55.313 67.860 -18.736 1.00 0.00 WT1 H ATOM 21495 H2 TIP3 7348 55.864 68.466 -20.009 1.00 0.00 WT1 H ATOM 21496 OH2 TIP3 7350 51.016 63.084 -17.399 1.00 0.00 WT1 O ATOM 21497 H1 TIP3 7350 50.393 63.432 -16.761 1.00 0.00 WT1 H ATOM 21498 H2 TIP3 7350 50.635 62.250 -17.676 1.00 0.00 WT1 H ATOM 21499 OH2 TIP3 7351 56.901 0.026 45.980 1.00 0.00 WT1 O ATOM 21500 H1 TIP3 7351 57.331 0.863 45.808 1.00 0.00 WT1 H ATOM 21501 H2 TIP3 7351 55.966 0.224 45.941 1.00 0.00 WT1 H ATOM 21502 OH2 TIP3 7352 34.798 -0.081 62.484 1.00 0.00 WT1 O ATOM 21503 H1 TIP3 7352 34.221 0.183 61.767 1.00 0.00 WT1 H ATOM 21504 H2 TIP3 7352 35.677 0.141 62.178 1.00 0.00 WT1 H ATOM 21505 OH2 TIP3 7353 88.184 96.402 13.606 1.00 0.00 WT1 O ATOM 21506 H1 TIP3 7353 87.486 97.023 13.398 1.00 0.00 WT1 H ATOM 21507 H2 TIP3 7353 88.271 95.866 12.818 1.00 0.00 WT1 H ATOM 21508 OH2 TIP3 7354 83.223 35.428 -11.297 1.00 0.00 WT1 O ATOM 21509 H1 TIP3 7354 83.344 36.004 -12.051 1.00 0.00 WT1 H ATOM 21510 H2 TIP3 7354 82.389 34.988 -11.463 1.00 0.00 WT1 H ATOM 21511 OH2 TIP3 7355 83.685 38.325 -18.508 1.00 0.00 WT1 O ATOM 21512 H1 TIP3 7355 83.489 39.258 -18.425 1.00 0.00 WT1 H ATOM 21513 H2 TIP3 7355 83.111 37.901 -17.870 1.00 0.00 WT1 H ATOM 21514 OH2 TIP3 7356 28.410 42.652 64.353 1.00 0.00 WT1 O ATOM 21515 H1 TIP3 7356 28.311 41.841 64.851 1.00 0.00 WT1 H ATOM 21516 H2 TIP3 7356 29.040 43.168 64.857 1.00 0.00 WT1 H ATOM 21517 OH2 TIP3 7357 89.731 85.569 10.888 1.00 0.00 WT1 O ATOM 21518 H1 TIP3 7357 89.819 85.876 11.791 1.00 0.00 WT1 H ATOM 21519 H2 TIP3 7357 89.724 84.615 10.959 1.00 0.00 WT1 H ATOM 21520 OH2 TIP3 7358 84.260 63.942 -0.407 1.00 0.00 WT1 O ATOM 21521 H1 TIP3 7358 85.007 64.173 0.144 1.00 0.00 WT1 H ATOM 21522 H2 TIP3 7358 84.458 64.336 -1.257 1.00 0.00 WT1 H ATOM 21523 OH2 TIP3 7359 88.919 34.684 17.262 1.00 0.00 WT1 O ATOM 21524 H1 TIP3 7359 88.303 34.321 16.624 1.00 0.00 WT1 H ATOM 21525 H2 TIP3 7359 89.458 33.939 17.526 1.00 0.00 WT1 H ATOM 21526 OH2 TIP3 7360 58.808 21.538 39.275 1.00 0.00 WT1 O ATOM 21527 H1 TIP3 7360 58.695 21.504 38.325 1.00 0.00 WT1 H ATOM 21528 H2 TIP3 7360 58.062 21.050 39.623 1.00 0.00 WT1 H ATOM 21529 OH2 TIP3 7362 37.379 17.496 3.191 1.00 0.00 WT1 O ATOM 21530 H1 TIP3 7362 37.516 18.100 2.461 1.00 0.00 WT1 H ATOM 21531 H2 TIP3 7362 37.411 16.627 2.792 1.00 0.00 WT1 H ATOM 21532 OH2 TIP3 7363 48.203 24.457 -14.107 1.00 0.00 WT1 O ATOM 21533 H1 TIP3 7363 48.531 24.058 -13.301 1.00 0.00 WT1 H ATOM 21534 H2 TIP3 7363 48.901 24.312 -14.747 1.00 0.00 WT1 H ATOM 21535 OH2 TIP3 7364 61.789 44.588 -12.109 1.00 0.00 WT1 O ATOM 21536 H1 TIP3 7364 61.060 45.112 -11.777 1.00 0.00 WT1 H ATOM 21537 H2 TIP3 7364 61.432 43.703 -12.188 1.00 0.00 WT1 H ATOM 21538 OH2 TIP3 7365 57.810 66.384 -9.100 1.00 0.00 WT1 O ATOM 21539 H1 TIP3 7365 58.695 66.656 -8.859 1.00 0.00 WT1 H ATOM 21540 H2 TIP3 7365 57.505 65.871 -8.352 1.00 0.00 WT1 H ATOM 21541 OH2 TIP3 7366 83.757 2.415 1.865 1.00 0.00 WT1 O ATOM 21542 H1 TIP3 7366 83.320 2.072 2.645 1.00 0.00 WT1 H ATOM 21543 H2 TIP3 7366 83.830 1.660 1.280 1.00 0.00 WT1 H ATOM 21544 OH2 TIP3 7367 71.739 85.116 -3.574 1.00 0.00 WT1 O ATOM 21545 H1 TIP3 7367 71.358 84.249 -3.430 1.00 0.00 WT1 H ATOM 21546 H2 TIP3 7367 71.213 85.495 -4.278 1.00 0.00 WT1 H ATOM 21547 OH2 TIP3 7369 47.068 40.628 9.913 1.00 0.00 WT1 O ATOM 21548 H1 TIP3 7369 47.678 39.898 10.016 1.00 0.00 WT1 H ATOM 21549 H2 TIP3 7369 46.418 40.498 10.604 1.00 0.00 WT1 H ATOM 21550 OH2 TIP3 7370 36.544 62.403 -15.827 1.00 0.00 WT1 O ATOM 21551 H1 TIP3 7370 36.613 63.212 -16.335 1.00 0.00 WT1 H ATOM 21552 H2 TIP3 7370 37.384 62.332 -15.374 1.00 0.00 WT1 H ATOM 21553 OH2 TIP3 7371 24.373 96.083 18.102 1.00 0.00 WT1 O ATOM 21554 H1 TIP3 7371 25.042 96.237 18.770 1.00 0.00 WT1 H ATOM 21555 H2 TIP3 7371 23.552 96.038 18.592 1.00 0.00 WT1 H ATOM 21556 OH2 TIP3 7372 42.102 18.436 44.069 1.00 0.00 WT1 O ATOM 21557 H1 TIP3 7372 42.521 17.609 43.832 1.00 0.00 WT1 H ATOM 21558 H2 TIP3 7372 42.371 18.590 44.975 1.00 0.00 WT1 H ATOM 21559 OH2 TIP3 7373 54.339 22.445 11.868 1.00 0.00 WT1 O ATOM 21560 H1 TIP3 7373 54.148 22.038 12.713 1.00 0.00 WT1 H ATOM 21561 H2 TIP3 7373 53.824 23.252 11.868 1.00 0.00 WT1 H ATOM 21562 OH2 TIP3 7374 56.586 80.513 37.026 1.00 0.00 WT1 O ATOM 21563 H1 TIP3 7374 55.995 81.025 36.474 1.00 0.00 WT1 H ATOM 21564 H2 TIP3 7374 56.524 79.622 36.683 1.00 0.00 WT1 H ATOM 21565 OH2 TIP3 7376 83.416 21.905 -18.878 1.00 0.00 WT1 O ATOM 21566 H1 TIP3 7376 82.841 21.326 -19.380 1.00 0.00 WT1 H ATOM 21567 H2 TIP3 7376 83.324 21.609 -17.973 1.00 0.00 WT1 H ATOM 21568 OH2 TIP3 7378 69.978 93.340 2.637 1.00 0.00 WT1 O ATOM 21569 H1 TIP3 7378 69.047 93.541 2.737 1.00 0.00 WT1 H ATOM 21570 H2 TIP3 7378 70.384 93.684 3.432 1.00 0.00 WT1 H ATOM 21571 OH2 TIP3 7379 58.769 28.378 4.020 1.00 0.00 WT1 O ATOM 21572 H1 TIP3 7379 58.919 28.844 4.842 1.00 0.00 WT1 H ATOM 21573 H2 TIP3 7379 58.948 29.028 3.340 1.00 0.00 WT1 H ATOM 21574 OH2 TIP3 7380 24.830 64.913 57.175 1.00 0.00 WT1 O ATOM 21575 H1 TIP3 7380 25.501 65.174 56.543 1.00 0.00 WT1 H ATOM 21576 H2 TIP3 7380 24.092 65.496 56.997 1.00 0.00 WT1 H ATOM 21577 OH2 TIP3 7381 83.250 41.597 -8.352 1.00 0.00 WT1 O ATOM 21578 H1 TIP3 7381 82.556 41.908 -7.771 1.00 0.00 WT1 H ATOM 21579 H2 TIP3 7381 83.141 40.646 -8.370 1.00 0.00 WT1 H ATOM 21580 OH2 TIP3 7382 54.971 70.464 1.090 1.00 0.00 WT1 O ATOM 21581 H1 TIP3 7382 54.190 69.953 0.877 1.00 0.00 WT1 H ATOM 21582 H2 TIP3 7382 55.169 70.232 1.997 1.00 0.00 WT1 H ATOM 21583 OH2 TIP3 7383 76.659 31.468 44.113 1.00 0.00 WT1 O ATOM 21584 H1 TIP3 7383 77.296 30.854 44.477 1.00 0.00 WT1 H ATOM 21585 H2 TIP3 7383 77.117 31.884 43.382 1.00 0.00 WT1 H ATOM 21586 OH2 TIP3 7384 59.040 56.494 21.142 1.00 0.00 WT1 O ATOM 21587 H1 TIP3 7384 58.247 55.991 20.956 1.00 0.00 WT1 H ATOM 21588 H2 TIP3 7384 59.070 57.158 20.453 1.00 0.00 WT1 H ATOM 21589 OH2 TIP3 7385 27.366 54.710 40.313 1.00 0.00 WT1 O ATOM 21590 H1 TIP3 7385 26.435 54.936 40.304 1.00 0.00 WT1 H ATOM 21591 H2 TIP3 7385 27.574 54.513 39.400 1.00 0.00 WT1 H ATOM 21592 OH2 TIP3 7387 37.513 50.364 47.330 1.00 0.00 WT1 O ATOM 21593 H1 TIP3 7387 36.814 50.673 47.907 1.00 0.00 WT1 H ATOM 21594 H2 TIP3 7387 38.255 50.937 47.524 1.00 0.00 WT1 H ATOM 21595 OH2 TIP3 7388 41.019 22.972 -7.441 1.00 0.00 WT1 O ATOM 21596 H1 TIP3 7388 41.824 23.482 -7.528 1.00 0.00 WT1 H ATOM 21597 H2 TIP3 7388 40.333 23.627 -7.311 1.00 0.00 WT1 H ATOM 21598 OH2 TIP3 7389 24.202 29.408 -16.278 1.00 0.00 WT1 O ATOM 21599 H1 TIP3 7389 23.311 29.567 -16.592 1.00 0.00 WT1 H ATOM 21600 H2 TIP3 7389 24.088 29.110 -15.375 1.00 0.00 WT1 H ATOM 21601 OH2 TIP3 7390 78.040 35.929 33.810 1.00 0.00 WT1 O ATOM 21602 H1 TIP3 7390 77.807 36.452 33.043 1.00 0.00 WT1 H ATOM 21603 H2 TIP3 7390 77.798 36.477 34.556 1.00 0.00 WT1 H ATOM 21604 OH2 TIP3 7391 81.986 48.754 21.562 1.00 0.00 WT1 O ATOM 21605 H1 TIP3 7391 82.245 47.912 21.935 1.00 0.00 WT1 H ATOM 21606 H2 TIP3 7391 81.843 48.572 20.634 1.00 0.00 WT1 H ATOM 21607 OH2 TIP3 7392 22.734 79.935 3.802 1.00 0.00 WT1 O ATOM 21608 H1 TIP3 7392 22.071 80.291 4.393 1.00 0.00 WT1 H ATOM 21609 H2 TIP3 7392 22.576 80.379 2.969 1.00 0.00 WT1 H ATOM 21610 OH2 TIP3 7393 85.505 29.329 3.977 1.00 0.00 WT1 O ATOM 21611 H1 TIP3 7393 85.350 29.063 4.884 1.00 0.00 WT1 H ATOM 21612 H2 TIP3 7393 86.416 29.621 3.965 1.00 0.00 WT1 H ATOM 21613 OH2 TIP3 7394 39.090 31.842 50.289 1.00 0.00 WT1 O ATOM 21614 H1 TIP3 7394 39.803 31.205 50.271 1.00 0.00 WT1 H ATOM 21615 H2 TIP3 7394 38.366 31.406 49.841 1.00 0.00 WT1 H ATOM 21616 OH2 TIP3 7395 27.587 25.815 24.655 1.00 0.00 WT1 O ATOM 21617 H1 TIP3 7395 27.725 24.931 24.994 1.00 0.00 WT1 H ATOM 21618 H2 TIP3 7395 27.059 26.249 25.326 1.00 0.00 WT1 H ATOM 21619 OH2 TIP3 7396 28.123 76.985 11.830 1.00 0.00 WT1 O ATOM 21620 H1 TIP3 7396 27.529 77.734 11.779 1.00 0.00 WT1 H ATOM 21621 H2 TIP3 7396 27.604 76.293 12.239 1.00 0.00 WT1 H ATOM 21622 OH2 TIP3 7397 60.856 6.792 13.137 1.00 0.00 WT1 O ATOM 21623 H1 TIP3 7397 61.786 6.770 12.912 1.00 0.00 WT1 H ATOM 21624 H2 TIP3 7397 60.531 7.599 12.736 1.00 0.00 WT1 H ATOM 21625 OH2 TIP3 7398 73.957 17.634 -15.991 1.00 0.00 WT1 O ATOM 21626 H1 TIP3 7398 73.805 16.772 -16.378 1.00 0.00 WT1 H ATOM 21627 H2 TIP3 7398 74.424 18.123 -16.668 1.00 0.00 WT1 H ATOM 21628 OH2 TIP3 7399 75.740 36.204 -4.879 1.00 0.00 WT1 O ATOM 21629 H1 TIP3 7399 76.296 35.446 -5.056 1.00 0.00 WT1 H ATOM 21630 H2 TIP3 7399 75.019 35.857 -4.354 1.00 0.00 WT1 H ATOM 21631 OH2 TIP3 7400 61.657 61.918 27.137 1.00 0.00 WT1 O ATOM 21632 H1 TIP3 7400 60.923 62.511 26.975 1.00 0.00 WT1 H ATOM 21633 H2 TIP3 7400 62.364 62.257 26.587 1.00 0.00 WT1 H ATOM 21634 OH2 TIP3 7401 59.769 35.220 -6.390 1.00 0.00 WT1 O ATOM 21635 H1 TIP3 7401 60.570 35.729 -6.268 1.00 0.00 WT1 H ATOM 21636 H2 TIP3 7401 59.249 35.398 -5.607 1.00 0.00 WT1 H ATOM 21637 OH2 TIP3 7403 62.520 30.838 -16.509 1.00 0.00 WT1 O ATOM 21638 H1 TIP3 7403 61.636 31.117 -16.746 1.00 0.00 WT1 H ATOM 21639 H2 TIP3 7403 62.691 31.266 -15.670 1.00 0.00 WT1 H ATOM 21640 OH2 TIP3 7408 76.284 53.811 7.102 1.00 0.00 WT1 O ATOM 21641 H1 TIP3 7408 75.559 54.106 6.550 1.00 0.00 WT1 H ATOM 21642 H2 TIP3 7408 75.906 53.746 7.979 1.00 0.00 WT1 H ATOM 21643 OH2 TIP3 7409 64.069 37.093 -8.963 1.00 0.00 WT1 O ATOM 21644 H1 TIP3 7409 63.288 37.495 -8.584 1.00 0.00 WT1 H ATOM 21645 H2 TIP3 7409 64.407 36.524 -8.272 1.00 0.00 WT1 H ATOM 21646 OH2 TIP3 7410 38.637 75.279 -3.398 1.00 0.00 WT1 O ATOM 21647 H1 TIP3 7410 39.258 75.686 -2.795 1.00 0.00 WT1 H ATOM 21648 H2 TIP3 7410 38.986 74.400 -3.546 1.00 0.00 WT1 H ATOM 21649 OH2 TIP3 7411 28.211 64.330 11.758 1.00 0.00 WT1 O ATOM 21650 H1 TIP3 7411 27.674 63.563 11.562 1.00 0.00 WT1 H ATOM 21651 H2 TIP3 7411 28.318 64.312 12.709 1.00 0.00 WT1 H ATOM 21652 OH2 TIP3 7412 85.359 71.495 -15.646 1.00 0.00 WT1 O ATOM 21653 H1 TIP3 7412 84.819 71.624 -14.866 1.00 0.00 WT1 H ATOM 21654 H2 TIP3 7412 86.238 71.761 -15.376 1.00 0.00 WT1 H ATOM 21655 OH2 TIP3 7413 82.826 75.569 22.433 1.00 0.00 WT1 O ATOM 21656 H1 TIP3 7413 82.065 75.732 21.875 1.00 0.00 WT1 H ATOM 21657 H2 TIP3 7413 82.816 74.623 22.580 1.00 0.00 WT1 H ATOM 21658 OH2 TIP3 7414 79.955 53.566 56.364 1.00 0.00 WT1 O ATOM 21659 H1 TIP3 7414 79.318 52.852 56.337 1.00 0.00 WT1 H ATOM 21660 H2 TIP3 7414 79.865 53.933 57.244 1.00 0.00 WT1 H ATOM 21661 OH2 TIP3 7415 73.568 56.826 29.770 1.00 0.00 WT1 O ATOM 21662 H1 TIP3 7415 73.747 56.162 29.104 1.00 0.00 WT1 H ATOM 21663 H2 TIP3 7415 72.615 56.825 29.861 1.00 0.00 WT1 H ATOM 21664 OH2 TIP3 7416 43.048 40.052 53.170 1.00 0.00 WT1 O ATOM 21665 H1 TIP3 7416 43.257 40.845 53.663 1.00 0.00 WT1 H ATOM 21666 H2 TIP3 7416 42.459 40.349 52.476 1.00 0.00 WT1 H ATOM 21667 OH2 TIP3 7417 50.505 0.530 44.900 1.00 0.00 WT1 O ATOM 21668 H1 TIP3 7417 50.303 -0.290 44.450 1.00 0.00 WT1 H ATOM 21669 H2 TIP3 7417 51.161 0.290 45.554 1.00 0.00 WT1 H ATOM 21670 OH2 TIP3 7418 37.136 26.633 -11.831 1.00 0.00 WT1 O ATOM 21671 H1 TIP3 7418 36.819 27.081 -11.047 1.00 0.00 WT1 H ATOM 21672 H2 TIP3 7418 37.696 25.933 -11.497 1.00 0.00 WT1 H ATOM 21673 OH2 TIP3 7419 48.390 38.737 21.382 1.00 0.00 WT1 O ATOM 21674 H1 TIP3 7419 48.779 38.770 20.508 1.00 0.00 WT1 H ATOM 21675 H2 TIP3 7419 48.817 39.448 21.862 1.00 0.00 WT1 H ATOM 21676 OH2 TIP3 7420 73.561 66.777 -2.472 1.00 0.00 WT1 O ATOM 21677 H1 TIP3 7420 74.128 66.543 -1.738 1.00 0.00 WT1 H ATOM 21678 H2 TIP3 7420 72.791 66.217 -2.369 1.00 0.00 WT1 H ATOM 21679 OH2 TIP3 7421 84.158 55.089 23.525 1.00 0.00 WT1 O ATOM 21680 H1 TIP3 7421 83.414 55.270 24.099 1.00 0.00 WT1 H ATOM 21681 H2 TIP3 7421 84.359 55.932 23.118 1.00 0.00 WT1 H ATOM 21682 OH2 TIP3 7422 35.581 58.936 -13.156 1.00 0.00 WT1 O ATOM 21683 H1 TIP3 7422 36.256 59.318 -12.595 1.00 0.00 WT1 H ATOM 21684 H2 TIP3 7422 36.047 58.679 -13.952 1.00 0.00 WT1 H ATOM 21685 OH2 TIP3 7423 90.227 92.738 7.080 1.00 0.00 WT1 O ATOM 21686 H1 TIP3 7423 90.871 93.339 7.453 1.00 0.00 WT1 H ATOM 21687 H2 TIP3 7423 89.381 93.095 7.348 1.00 0.00 WT1 H ATOM 21688 OH2 TIP3 7424 70.074 7.592 6.731 1.00 0.00 WT1 O ATOM 21689 H1 TIP3 7424 69.246 8.057 6.615 1.00 0.00 WT1 H ATOM 21690 H2 TIP3 7424 69.823 6.672 6.815 1.00 0.00 WT1 H ATOM 21691 OH2 TIP3 7426 22.819 27.851 27.193 1.00 0.00 WT1 O ATOM 21692 H1 TIP3 7426 22.109 28.287 26.721 1.00 0.00 WT1 H ATOM 21693 H2 TIP3 7426 23.311 27.390 26.514 1.00 0.00 WT1 H ATOM 21694 OH2 TIP3 7427 74.908 50.314 9.009 1.00 0.00 WT1 O ATOM 21695 H1 TIP3 7427 75.313 49.905 9.774 1.00 0.00 WT1 H ATOM 21696 H2 TIP3 7427 74.095 49.827 8.878 1.00 0.00 WT1 H ATOM 21697 OH2 TIP3 7428 23.948 35.179 61.037 1.00 0.00 WT1 O ATOM 21698 H1 TIP3 7428 23.509 36.010 60.855 1.00 0.00 WT1 H ATOM 21699 H2 TIP3 7428 24.810 35.269 60.631 1.00 0.00 WT1 H ATOM 21700 OH2 TIP3 7429 32.918 40.421 38.544 1.00 0.00 WT1 O ATOM 21701 H1 TIP3 7429 32.806 41.372 38.526 1.00 0.00 WT1 H ATOM 21702 H2 TIP3 7429 32.125 40.095 38.971 1.00 0.00 WT1 H ATOM 21703 OH2 TIP3 7430 79.006 71.243 8.138 1.00 0.00 WT1 O ATOM 21704 H1 TIP3 7430 78.912 71.534 7.231 1.00 0.00 WT1 H ATOM 21705 H2 TIP3 7430 78.946 70.289 8.091 1.00 0.00 WT1 H ATOM 21706 OH2 TIP3 7431 46.407 85.818 20.066 1.00 0.00 WT1 O ATOM 21707 H1 TIP3 7431 46.758 84.985 19.752 1.00 0.00 WT1 H ATOM 21708 H2 TIP3 7431 45.537 85.601 20.402 1.00 0.00 WT1 H ATOM 21709 OH2 TIP3 7432 25.593 11.932 3.207 1.00 0.00 WT1 O ATOM 21710 H1 TIP3 7432 26.444 12.315 3.421 1.00 0.00 WT1 H ATOM 21711 H2 TIP3 7432 24.958 12.601 3.461 1.00 0.00 WT1 H ATOM 21712 OH2 TIP3 7433 30.158 67.219 6.427 1.00 0.00 WT1 O ATOM 21713 H1 TIP3 7433 29.675 66.592 6.966 1.00 0.00 WT1 H ATOM 21714 H2 TIP3 7433 30.561 66.685 5.742 1.00 0.00 WT1 H ATOM 21715 OH2 TIP3 7434 50.758 44.467 -11.755 1.00 0.00 WT1 O ATOM 21716 H1 TIP3 7434 50.680 45.416 -11.659 1.00 0.00 WT1 H ATOM 21717 H2 TIP3 7434 51.527 44.235 -11.235 1.00 0.00 WT1 H ATOM 21718 OH2 TIP3 7435 45.243 92.375 6.199 1.00 0.00 WT1 O ATOM 21719 H1 TIP3 7435 44.748 93.173 6.015 1.00 0.00 WT1 H ATOM 21720 H2 TIP3 7435 45.322 92.357 7.153 1.00 0.00 WT1 H ATOM 21721 OH2 TIP3 7436 51.957 8.578 41.520 1.00 0.00 WT1 O ATOM 21722 H1 TIP3 7436 52.561 8.082 42.072 1.00 0.00 WT1 H ATOM 21723 H2 TIP3 7436 51.241 7.968 41.340 1.00 0.00 WT1 H ATOM 21724 OH2 TIP3 7437 34.740 8.851 -2.211 1.00 0.00 WT1 O ATOM 21725 H1 TIP3 7437 35.538 9.315 -1.957 1.00 0.00 WT1 H ATOM 21726 H2 TIP3 7437 34.234 9.497 -2.704 1.00 0.00 WT1 H ATOM 21727 OH2 TIP3 7439 28.725 23.809 -9.606 1.00 0.00 WT1 O ATOM 21728 H1 TIP3 7439 28.488 23.349 -8.800 1.00 0.00 WT1 H ATOM 21729 H2 TIP3 7439 28.905 24.707 -9.325 1.00 0.00 WT1 H ATOM 21730 OH2 TIP3 7440 67.752 66.472 -10.913 1.00 0.00 WT1 O ATOM 21731 H1 TIP3 7440 67.394 67.120 -11.521 1.00 0.00 WT1 H ATOM 21732 H2 TIP3 7440 68.403 65.995 -11.426 1.00 0.00 WT1 H ATOM 21733 OH2 TIP3 7441 81.757 36.290 9.019 1.00 0.00 WT1 O ATOM 21734 H1 TIP3 7441 81.788 37.013 8.392 1.00 0.00 WT1 H ATOM 21735 H2 TIP3 7441 80.831 36.052 9.064 1.00 0.00 WT1 H ATOM 21736 OH2 TIP3 7442 53.290 80.160 13.542 1.00 0.00 WT1 O ATOM 21737 H1 TIP3 7442 53.617 80.487 12.704 1.00 0.00 WT1 H ATOM 21738 H2 TIP3 7442 53.012 79.263 13.358 1.00 0.00 WT1 H ATOM 21739 OH2 TIP3 7443 50.039 26.008 -16.218 1.00 0.00 WT1 O ATOM 21740 H1 TIP3 7443 50.669 26.728 -16.229 1.00 0.00 WT1 H ATOM 21741 H2 TIP3 7443 50.577 25.220 -16.140 1.00 0.00 WT1 H ATOM 21742 OH2 TIP3 7445 70.021 51.039 1.985 1.00 0.00 WT1 O ATOM 21743 H1 TIP3 7445 70.054 51.967 2.217 1.00 0.00 WT1 H ATOM 21744 H2 TIP3 7445 69.960 50.583 2.824 1.00 0.00 WT1 H ATOM 21745 OH2 TIP3 7447 37.732 2.734 -15.292 1.00 0.00 WT1 O ATOM 21746 H1 TIP3 7447 38.319 2.935 -14.563 1.00 0.00 WT1 H ATOM 21747 H2 TIP3 7447 37.913 3.416 -15.940 1.00 0.00 WT1 H ATOM 21748 OH2 TIP3 7448 70.776 64.595 30.505 1.00 0.00 WT1 O ATOM 21749 H1 TIP3 7448 69.936 64.136 30.518 1.00 0.00 WT1 H ATOM 21750 H2 TIP3 7448 70.836 64.961 29.623 1.00 0.00 WT1 H ATOM 21751 OH2 TIP3 7450 45.111 80.678 34.402 1.00 0.00 WT1 O ATOM 21752 H1 TIP3 7450 45.380 79.849 34.007 1.00 0.00 WT1 H ATOM 21753 H2 TIP3 7450 44.849 81.224 33.661 1.00 0.00 WT1 H ATOM 21754 OH2 TIP3 7451 23.012 14.951 34.274 1.00 0.00 WT1 O ATOM 21755 H1 TIP3 7451 23.162 15.185 35.190 1.00 0.00 WT1 H ATOM 21756 H2 TIP3 7451 22.166 15.344 34.061 1.00 0.00 WT1 H ATOM 21757 OH2 TIP3 7452 62.148 74.766 38.599 1.00 0.00 WT1 O ATOM 21758 H1 TIP3 7452 61.453 74.903 39.242 1.00 0.00 WT1 H ATOM 21759 H2 TIP3 7452 62.100 73.833 38.390 1.00 0.00 WT1 H ATOM 21760 OH2 TIP3 7454 70.636 55.761 48.846 1.00 0.00 WT1 O ATOM 21761 H1 TIP3 7454 70.347 55.037 49.402 1.00 0.00 WT1 H ATOM 21762 H2 TIP3 7454 69.827 56.123 48.483 1.00 0.00 WT1 H ATOM 21763 OH2 TIP3 7455 35.554 76.263 -19.262 1.00 0.00 WT1 O ATOM 21764 H1 TIP3 7455 36.144 75.832 -19.881 1.00 0.00 WT1 H ATOM 21765 H2 TIP3 7455 35.281 75.566 -18.665 1.00 0.00 WT1 H ATOM 21766 OH2 TIP3 7456 52.400 94.837 9.737 1.00 0.00 WT1 O ATOM 21767 H1 TIP3 7456 51.670 95.377 10.040 1.00 0.00 WT1 H ATOM 21768 H2 TIP3 7456 52.256 94.747 8.795 1.00 0.00 WT1 H ATOM 21769 OH2 TIP3 7457 64.177 81.248 61.437 1.00 0.00 WT1 O ATOM 21770 H1 TIP3 7457 64.924 81.049 60.874 1.00 0.00 WT1 H ATOM 21771 H2 TIP3 7457 63.729 81.971 60.996 1.00 0.00 WT1 H ATOM 21772 OH2 TIP3 7458 85.173 71.261 49.866 1.00 0.00 WT1 O ATOM 21773 H1 TIP3 7458 85.249 70.330 49.656 1.00 0.00 WT1 H ATOM 21774 H2 TIP3 7458 84.786 71.653 49.084 1.00 0.00 WT1 H ATOM 21775 OH2 TIP3 7459 88.402 76.005 52.068 1.00 0.00 WT1 O ATOM 21776 H1 TIP3 7459 88.229 76.939 51.947 1.00 0.00 WT1 H ATOM 21777 H2 TIP3 7459 89.279 75.971 52.450 1.00 0.00 WT1 H ATOM 21778 OH2 TIP3 7461 59.917 41.183 53.563 1.00 0.00 WT1 O ATOM 21779 H1 TIP3 7461 59.509 40.977 54.404 1.00 0.00 WT1 H ATOM 21780 H2 TIP3 7461 60.750 41.593 53.794 1.00 0.00 WT1 H ATOM 21781 OH2 TIP3 7462 24.626 45.382 28.579 1.00 0.00 WT1 O ATOM 21782 H1 TIP3 7462 24.801 46.320 28.647 1.00 0.00 WT1 H ATOM 21783 H2 TIP3 7462 23.972 45.210 29.256 1.00 0.00 WT1 H ATOM 21784 OH2 TIP3 7463 25.015 29.649 36.407 1.00 0.00 WT1 O ATOM 21785 H1 TIP3 7463 24.487 30.370 36.063 1.00 0.00 WT1 H ATOM 21786 H2 TIP3 7463 24.566 28.859 36.108 1.00 0.00 WT1 H ATOM 21787 OH2 TIP3 7464 45.067 42.658 -15.926 1.00 0.00 WT1 O ATOM 21788 H1 TIP3 7464 45.751 42.502 -15.276 1.00 0.00 WT1 H ATOM 21789 H2 TIP3 7464 45.048 43.609 -16.032 1.00 0.00 WT1 H ATOM 21790 OH2 TIP3 7465 45.137 74.329 55.102 1.00 0.00 WT1 O ATOM 21791 H1 TIP3 7465 45.968 73.880 55.255 1.00 0.00 WT1 H ATOM 21792 H2 TIP3 7465 44.599 74.106 55.862 1.00 0.00 WT1 H ATOM 21793 OH2 TIP3 7466 60.590 66.008 28.538 1.00 0.00 WT1 O ATOM 21794 H1 TIP3 7466 60.082 66.641 28.030 1.00 0.00 WT1 H ATOM 21795 H2 TIP3 7466 60.636 65.233 27.979 1.00 0.00 WT1 H ATOM 21796 OH2 TIP3 7467 47.201 44.103 58.322 1.00 0.00 WT1 O ATOM 21797 H1 TIP3 7467 46.281 44.208 58.567 1.00 0.00 WT1 H ATOM 21798 H2 TIP3 7467 47.546 44.996 58.297 1.00 0.00 WT1 H ATOM 21799 OH2 TIP3 7468 23.986 43.286 47.651 1.00 0.00 WT1 O ATOM 21800 H1 TIP3 7468 24.672 43.194 46.990 1.00 0.00 WT1 H ATOM 21801 H2 TIP3 7468 24.424 43.093 48.480 1.00 0.00 WT1 H ATOM 21802 OH2 TIP3 7469 81.280 67.318 53.673 1.00 0.00 WT1 O ATOM 21803 H1 TIP3 7469 81.546 68.141 54.084 1.00 0.00 WT1 H ATOM 21804 H2 TIP3 7469 80.352 67.438 53.473 1.00 0.00 WT1 H ATOM 21805 OH2 TIP3 7470 81.956 68.061 -13.240 1.00 0.00 WT1 O ATOM 21806 H1 TIP3 7470 81.486 68.321 -12.449 1.00 0.00 WT1 H ATOM 21807 H2 TIP3 7470 81.889 67.106 -13.256 1.00 0.00 WT1 H ATOM 21808 OH2 TIP3 7471 37.131 46.980 6.666 1.00 0.00 WT1 O ATOM 21809 H1 TIP3 7471 36.721 47.842 6.595 1.00 0.00 WT1 H ATOM 21810 H2 TIP3 7471 37.147 46.798 7.605 1.00 0.00 WT1 H ATOM 21811 OH2 TIP3 7472 25.774 29.680 32.021 1.00 0.00 WT1 O ATOM 21812 H1 TIP3 7472 25.835 30.622 31.861 1.00 0.00 WT1 H ATOM 21813 H2 TIP3 7472 26.585 29.322 31.661 1.00 0.00 WT1 H ATOM 21814 OH2 TIP3 7473 67.047 26.774 26.567 1.00 0.00 WT1 O ATOM 21815 H1 TIP3 7473 67.286 27.649 26.870 1.00 0.00 WT1 H ATOM 21816 H2 TIP3 7473 66.259 26.908 26.040 1.00 0.00 WT1 H ATOM 21817 OH2 TIP3 7474 67.237 18.624 53.305 1.00 0.00 WT1 O ATOM 21818 H1 TIP3 7474 66.514 18.304 52.765 1.00 0.00 WT1 H ATOM 21819 H2 TIP3 7474 68.021 18.443 52.788 1.00 0.00 WT1 H ATOM 21820 OH2 TIP3 7475 90.441 42.912 6.183 1.00 0.00 WT1 O ATOM 21821 H1 TIP3 7475 90.240 42.778 5.257 1.00 0.00 WT1 H ATOM 21822 H2 TIP3 7475 89.603 42.791 6.631 1.00 0.00 WT1 H ATOM 21823 OH2 TIP3 7476 63.908 72.154 45.370 1.00 0.00 WT1 O ATOM 21824 H1 TIP3 7476 63.905 72.356 46.306 1.00 0.00 WT1 H ATOM 21825 H2 TIP3 7476 63.555 71.266 45.315 1.00 0.00 WT1 H ATOM 21826 OH2 TIP3 7477 66.950 21.719 -6.348 1.00 0.00 WT1 O ATOM 21827 H1 TIP3 7477 67.382 22.479 -6.736 1.00 0.00 WT1 H ATOM 21828 H2 TIP3 7477 67.513 21.469 -5.616 1.00 0.00 WT1 H ATOM 21829 OH2 TIP3 7478 83.431 67.407 10.267 1.00 0.00 WT1 O ATOM 21830 H1 TIP3 7478 83.388 66.683 10.892 1.00 0.00 WT1 H ATOM 21831 H2 TIP3 7478 83.923 67.055 9.525 1.00 0.00 WT1 H ATOM 21832 OH2 TIP3 7479 46.243 85.387 41.462 1.00 0.00 WT1 O ATOM 21833 H1 TIP3 7479 45.616 84.690 41.270 1.00 0.00 WT1 H ATOM 21834 H2 TIP3 7479 45.816 85.916 42.137 1.00 0.00 WT1 H ATOM 21835 OH2 TIP3 7480 30.192 70.711 -11.112 1.00 0.00 WT1 O ATOM 21836 H1 TIP3 7480 30.315 69.964 -10.526 1.00 0.00 WT1 H ATOM 21837 H2 TIP3 7480 30.975 70.715 -11.663 1.00 0.00 WT1 H ATOM 21838 OH2 TIP3 7481 51.736 0.614 50.513 1.00 0.00 WT1 O ATOM 21839 H1 TIP3 7481 52.241 0.533 49.704 1.00 0.00 WT1 H ATOM 21840 H2 TIP3 7481 52.302 0.238 51.188 1.00 0.00 WT1 H ATOM 21841 OH2 TIP3 7483 75.604 15.253 6.584 1.00 0.00 WT1 O ATOM 21842 H1 TIP3 7483 75.147 16.045 6.866 1.00 0.00 WT1 H ATOM 21843 H2 TIP3 7483 75.654 15.331 5.631 1.00 0.00 WT1 H ATOM 21844 OH2 TIP3 7485 52.063 9.344 9.516 1.00 0.00 WT1 O ATOM 21845 H1 TIP3 7485 51.172 9.059 9.718 1.00 0.00 WT1 H ATOM 21846 H2 TIP3 7485 51.985 10.285 9.361 1.00 0.00 WT1 H ATOM 21847 OH2 TIP3 7486 22.413 88.041 22.448 1.00 0.00 WT1 O ATOM 21848 H1 TIP3 7486 23.331 87.785 22.540 1.00 0.00 WT1 H ATOM 21849 H2 TIP3 7486 22.424 88.997 22.499 1.00 0.00 WT1 H ATOM 21850 OH2 TIP3 7487 62.212 77.751 3.018 1.00 0.00 WT1 O ATOM 21851 H1 TIP3 7487 62.508 77.034 3.579 1.00 0.00 WT1 H ATOM 21852 H2 TIP3 7487 61.654 77.330 2.365 1.00 0.00 WT1 H ATOM 21853 OH2 TIP3 7489 26.834 81.560 6.670 1.00 0.00 WT1 O ATOM 21854 H1 TIP3 7489 26.364 80.862 6.214 1.00 0.00 WT1 H ATOM 21855 H2 TIP3 7489 26.817 82.299 6.062 1.00 0.00 WT1 H ATOM 21856 OH2 TIP3 7490 29.096 83.047 61.755 1.00 0.00 WT1 O ATOM 21857 H1 TIP3 7490 29.976 82.721 61.943 1.00 0.00 WT1 H ATOM 21858 H2 TIP3 7490 28.571 82.258 61.620 1.00 0.00 WT1 H ATOM 21859 OH2 TIP3 7491 71.102 74.765 -11.523 1.00 0.00 WT1 O ATOM 21860 H1 TIP3 7491 70.984 75.602 -11.075 1.00 0.00 WT1 H ATOM 21861 H2 TIP3 7491 70.232 74.365 -11.518 1.00 0.00 WT1 H ATOM 21862 OH2 TIP3 7492 81.349 52.335 14.481 1.00 0.00 WT1 O ATOM 21863 H1 TIP3 7492 81.788 51.685 13.933 1.00 0.00 WT1 H ATOM 21864 H2 TIP3 7492 80.975 51.828 15.202 1.00 0.00 WT1 H ATOM 21865 OH2 TIP3 7493 87.927 84.122 33.130 1.00 0.00 WT1 O ATOM 21866 H1 TIP3 7493 88.564 83.639 32.604 1.00 0.00 WT1 H ATOM 21867 H2 TIP3 7493 87.078 83.777 32.854 1.00 0.00 WT1 H ATOM 21868 OH2 TIP3 7494 75.936 16.650 61.702 1.00 0.00 WT1 O ATOM 21869 H1 TIP3 7494 75.002 16.603 61.495 1.00 0.00 WT1 H ATOM 21870 H2 TIP3 7494 76.017 16.209 62.548 1.00 0.00 WT1 H ATOM 21871 OH2 TIP3 7495 67.277 4.431 -9.945 1.00 0.00 WT1 O ATOM 21872 H1 TIP3 7495 67.054 3.564 -10.285 1.00 0.00 WT1 H ATOM 21873 H2 TIP3 7495 66.844 4.474 -9.093 1.00 0.00 WT1 H ATOM 21874 OH2 TIP3 7496 53.878 13.482 62.010 1.00 0.00 WT1 O ATOM 21875 H1 TIP3 7496 53.418 14.161 61.517 1.00 0.00 WT1 H ATOM 21876 H2 TIP3 7496 53.521 13.545 62.895 1.00 0.00 WT1 H ATOM 21877 OH2 TIP3 7497 66.928 80.102 31.112 1.00 0.00 WT1 O ATOM 21878 H1 TIP3 7497 67.773 80.550 31.108 1.00 0.00 WT1 H ATOM 21879 H2 TIP3 7497 66.366 80.645 30.560 1.00 0.00 WT1 H ATOM 21880 OH2 TIP3 7498 22.938 88.201 9.373 1.00 0.00 WT1 O ATOM 21881 H1 TIP3 7498 22.880 87.563 10.084 1.00 0.00 WT1 H ATOM 21882 H2 TIP3 7498 23.428 88.933 9.747 1.00 0.00 WT1 H ATOM 21883 OH2 TIP3 7499 70.597 66.564 9.711 1.00 0.00 WT1 O ATOM 21884 H1 TIP3 7499 69.931 65.944 10.006 1.00 0.00 WT1 H ATOM 21885 H2 TIP3 7499 70.868 66.236 8.853 1.00 0.00 WT1 H ATOM 21886 OH2 TIP3 7500 29.291 93.792 39.931 1.00 0.00 WT1 O ATOM 21887 H1 TIP3 7500 29.738 94.628 39.800 1.00 0.00 WT1 H ATOM 21888 H2 TIP3 7500 28.380 93.967 39.694 1.00 0.00 WT1 H ATOM 21889 OH2 TIP3 7501 77.887 67.228 1.131 1.00 0.00 WT1 O ATOM 21890 H1 TIP3 7501 78.265 66.862 0.331 1.00 0.00 WT1 H ATOM 21891 H2 TIP3 7501 77.360 66.517 1.494 1.00 0.00 WT1 H ATOM 21892 OH2 TIP3 7502 69.124 75.935 -0.831 1.00 0.00 WT1 O ATOM 21893 H1 TIP3 7502 68.192 76.080 -0.672 1.00 0.00 WT1 H ATOM 21894 H2 TIP3 7502 69.502 75.826 0.042 1.00 0.00 WT1 H ATOM 21895 OH2 TIP3 7503 45.233 84.524 37.600 1.00 0.00 WT1 O ATOM 21896 H1 TIP3 7503 44.730 83.906 37.069 1.00 0.00 WT1 H ATOM 21897 H2 TIP3 7503 45.147 84.196 38.495 1.00 0.00 WT1 H ATOM 21898 OH2 TIP3 7504 54.519 26.873 21.622 1.00 0.00 WT1 O ATOM 21899 H1 TIP3 7504 54.830 27.770 21.741 1.00 0.00 WT1 H ATOM 21900 H2 TIP3 7504 53.583 26.916 21.819 1.00 0.00 WT1 H ATOM 21901 OH2 TIP3 7505 54.602 48.315 66.298 1.00 0.00 WT1 O ATOM 21902 H1 TIP3 7505 54.959 48.269 67.185 1.00 0.00 WT1 H ATOM 21903 H2 TIP3 7505 53.706 48.631 66.416 1.00 0.00 WT1 H ATOM 21904 OH2 TIP3 7506 56.396 91.156 48.441 1.00 0.00 WT1 O ATOM 21905 H1 TIP3 7506 56.706 90.676 47.674 1.00 0.00 WT1 H ATOM 21906 H2 TIP3 7506 55.664 90.634 48.771 1.00 0.00 WT1 H ATOM 21907 OH2 TIP3 7507 90.732 95.318 13.964 1.00 0.00 WT1 O ATOM 21908 H1 TIP3 7507 90.881 94.372 13.948 1.00 0.00 WT1 H ATOM 21909 H2 TIP3 7507 89.785 95.410 14.074 1.00 0.00 WT1 H ATOM 21910 OH2 TIP3 7508 55.950 7.178 18.039 1.00 0.00 WT1 O ATOM 21911 H1 TIP3 7508 55.558 6.306 18.095 1.00 0.00 WT1 H ATOM 21912 H2 TIP3 7508 55.417 7.719 18.621 1.00 0.00 WT1 H ATOM 21913 OH2 TIP3 7509 67.696 52.146 11.306 1.00 0.00 WT1 O ATOM 21914 H1 TIP3 7509 66.813 52.213 11.670 1.00 0.00 WT1 H ATOM 21915 H2 TIP3 7509 68.179 51.621 11.945 1.00 0.00 WT1 H ATOM 21916 OH2 TIP3 7510 28.533 71.244 -8.453 1.00 0.00 WT1 O ATOM 21917 H1 TIP3 7510 29.278 71.586 -7.958 1.00 0.00 WT1 H ATOM 21918 H2 TIP3 7510 27.840 71.891 -8.322 1.00 0.00 WT1 H ATOM 21919 OH2 TIP3 7511 36.134 78.009 48.198 1.00 0.00 WT1 O ATOM 21920 H1 TIP3 7511 36.583 77.926 47.357 1.00 0.00 WT1 H ATOM 21921 H2 TIP3 7511 35.938 78.942 48.275 1.00 0.00 WT1 H ATOM 21922 OH2 TIP3 7512 64.403 64.568 34.247 1.00 0.00 WT1 O ATOM 21923 H1 TIP3 7512 64.421 64.869 35.155 1.00 0.00 WT1 H ATOM 21924 H2 TIP3 7512 63.521 64.217 34.128 1.00 0.00 WT1 H ATOM 21925 OH2 TIP3 7513 49.486 87.605 55.216 1.00 0.00 WT1 O ATOM 21926 H1 TIP3 7513 49.962 86.793 55.388 1.00 0.00 WT1 H ATOM 21927 H2 TIP3 7513 48.812 87.359 54.582 1.00 0.00 WT1 H ATOM 21928 OH2 TIP3 7514 21.736 47.691 55.363 1.00 0.00 WT1 O ATOM 21929 H1 TIP3 7514 21.186 47.850 56.131 1.00 0.00 WT1 H ATOM 21930 H2 TIP3 7514 21.167 47.882 54.617 1.00 0.00 WT1 H ATOM 21931 OH2 TIP3 7515 22.555 55.722 12.460 1.00 0.00 WT1 O ATOM 21932 H1 TIP3 7515 23.087 56.516 12.510 1.00 0.00 WT1 H ATOM 21933 H2 TIP3 7515 21.660 56.022 12.622 1.00 0.00 WT1 H ATOM 21934 OH2 TIP3 7516 35.691 90.442 -14.369 1.00 0.00 WT1 O ATOM 21935 H1 TIP3 7516 36.389 90.466 -15.023 1.00 0.00 WT1 H ATOM 21936 H2 TIP3 7516 35.934 91.116 -13.734 1.00 0.00 WT1 H ATOM 21937 OH2 TIP3 7517 45.216 34.018 57.682 1.00 0.00 WT1 O ATOM 21938 H1 TIP3 7517 45.830 33.546 58.245 1.00 0.00 WT1 H ATOM 21939 H2 TIP3 7517 44.388 34.002 58.163 1.00 0.00 WT1 H ATOM 21940 OH2 TIP3 7518 67.885 43.680 36.806 1.00 0.00 WT1 O ATOM 21941 H1 TIP3 7518 67.434 43.326 37.572 1.00 0.00 WT1 H ATOM 21942 H2 TIP3 7518 68.390 44.419 37.145 1.00 0.00 WT1 H ATOM 21943 OH2 TIP3 7519 85.319 6.210 -4.356 1.00 0.00 WT1 O ATOM 21944 H1 TIP3 7519 84.417 6.302 -4.663 1.00 0.00 WT1 H ATOM 21945 H2 TIP3 7519 85.481 7.004 -3.846 1.00 0.00 WT1 H ATOM 21946 OH2 TIP3 7520 86.909 94.752 28.038 1.00 0.00 WT1 O ATOM 21947 H1 TIP3 7520 87.397 95.464 27.624 1.00 0.00 WT1 H ATOM 21948 H2 TIP3 7520 86.093 94.699 27.541 1.00 0.00 WT1 H ATOM 21949 OH2 TIP3 7521 58.080 52.295 49.720 1.00 0.00 WT1 O ATOM 21950 H1 TIP3 7521 58.169 51.907 48.849 1.00 0.00 WT1 H ATOM 21951 H2 TIP3 7521 58.755 51.865 50.245 1.00 0.00 WT1 H ATOM 21952 OH2 TIP3 7522 82.513 50.836 -15.184 1.00 0.00 WT1 O ATOM 21953 H1 TIP3 7522 82.468 49.896 -15.007 1.00 0.00 WT1 H ATOM 21954 H2 TIP3 7522 82.777 50.895 -16.102 1.00 0.00 WT1 H ATOM 21955 OH2 TIP3 7523 40.378 26.970 -0.557 1.00 0.00 WT1 O ATOM 21956 H1 TIP3 7523 40.306 26.346 -1.279 1.00 0.00 WT1 H ATOM 21957 H2 TIP3 7523 40.979 27.641 -0.879 1.00 0.00 WT1 H ATOM 21958 OH2 TIP3 7524 62.107 64.638 65.668 1.00 0.00 WT1 O ATOM 21959 H1 TIP3 7524 62.929 64.586 65.180 1.00 0.00 WT1 H ATOM 21960 H2 TIP3 7524 62.340 64.379 66.559 1.00 0.00 WT1 H ATOM 21961 OH2 TIP3 7525 63.094 24.761 10.244 1.00 0.00 WT1 O ATOM 21962 H1 TIP3 7525 63.737 25.192 10.807 1.00 0.00 WT1 H ATOM 21963 H2 TIP3 7525 62.460 24.380 10.851 1.00 0.00 WT1 H ATOM 21964 OH2 TIP3 7526 22.624 28.743 48.662 1.00 0.00 WT1 O ATOM 21965 H1 TIP3 7526 22.631 28.203 49.452 1.00 0.00 WT1 H ATOM 21966 H2 TIP3 7526 22.003 29.445 48.857 1.00 0.00 WT1 H ATOM 21967 OH2 TIP3 7527 71.963 91.452 32.201 1.00 0.00 WT1 O ATOM 21968 H1 TIP3 7527 71.471 91.018 31.503 1.00 0.00 WT1 H ATOM 21969 H2 TIP3 7527 71.555 91.142 33.010 1.00 0.00 WT1 H ATOM 21970 OH2 TIP3 7529 31.785 24.558 7.773 1.00 0.00 WT1 O ATOM 21971 H1 TIP3 7529 32.321 23.801 7.536 1.00 0.00 WT1 H ATOM 21972 H2 TIP3 7529 31.700 24.504 8.725 1.00 0.00 WT1 H ATOM 21973 OH2 TIP3 7530 37.261 9.051 -4.738 1.00 0.00 WT1 O ATOM 21974 H1 TIP3 7530 36.681 9.456 -5.383 1.00 0.00 WT1 H ATOM 21975 H2 TIP3 7530 36.888 8.181 -4.594 1.00 0.00 WT1 H ATOM 21976 OH2 TIP3 7531 68.822 92.006 20.977 1.00 0.00 WT1 O ATOM 21977 H1 TIP3 7531 67.938 91.966 20.613 1.00 0.00 WT1 H ATOM 21978 H2 TIP3 7531 69.066 91.091 21.116 1.00 0.00 WT1 H ATOM 21979 OH2 TIP3 7532 41.833 77.894 -0.952 1.00 0.00 WT1 O ATOM 21980 H1 TIP3 7532 42.400 77.534 -0.271 1.00 0.00 WT1 H ATOM 21981 H2 TIP3 7532 41.346 77.140 -1.283 1.00 0.00 WT1 H ATOM 21982 OH2 TIP3 7534 77.202 34.714 37.290 1.00 0.00 WT1 O ATOM 21983 H1 TIP3 7534 76.604 34.226 37.856 1.00 0.00 WT1 H ATOM 21984 H2 TIP3 7534 78.024 34.225 37.332 1.00 0.00 WT1 H ATOM 21985 OH2 TIP3 7535 23.196 62.077 21.014 1.00 0.00 WT1 O ATOM 21986 H1 TIP3 7535 22.780 61.572 20.315 1.00 0.00 WT1 H ATOM 21987 H2 TIP3 7535 22.817 61.726 21.820 1.00 0.00 WT1 H ATOM 21988 OH2 TIP3 7536 72.581 35.658 40.895 1.00 0.00 WT1 O ATOM 21989 H1 TIP3 7536 72.254 35.107 40.184 1.00 0.00 WT1 H ATOM 21990 H2 TIP3 7536 72.658 36.530 40.508 1.00 0.00 WT1 H ATOM 21991 OH2 TIP3 7537 70.755 25.705 -19.206 1.00 0.00 WT1 O ATOM 21992 H1 TIP3 7537 71.566 25.730 -19.714 1.00 0.00 WT1 H ATOM 21993 H2 TIP3 7537 70.493 24.785 -19.216 1.00 0.00 WT1 H ATOM 21994 OH2 TIP3 7538 50.758 91.211 26.856 1.00 0.00 WT1 O ATOM 21995 H1 TIP3 7538 49.876 91.560 26.727 1.00 0.00 WT1 H ATOM 21996 H2 TIP3 7538 50.646 90.508 27.497 1.00 0.00 WT1 H ATOM 21997 OH2 TIP3 7539 65.200 87.368 33.669 1.00 0.00 WT1 O ATOM 21998 H1 TIP3 7539 65.770 86.633 33.897 1.00 0.00 WT1 H ATOM 21999 H2 TIP3 7539 64.849 87.669 34.507 1.00 0.00 WT1 H ATOM 22000 OH2 TIP3 7540 71.258 80.417 25.983 1.00 0.00 WT1 O ATOM 22001 H1 TIP3 7540 71.991 80.071 26.491 1.00 0.00 WT1 H ATOM 22002 H2 TIP3 7540 71.275 79.919 25.166 1.00 0.00 WT1 H ATOM 22003 OH2 TIP3 7541 81.506 46.940 43.476 1.00 0.00 WT1 O ATOM 22004 H1 TIP3 7541 80.958 46.375 44.020 1.00 0.00 WT1 H ATOM 22005 H2 TIP3 7541 82.189 47.255 44.068 1.00 0.00 WT1 H ATOM 22006 OH2 TIP3 7542 32.906 75.304 -7.335 1.00 0.00 WT1 O ATOM 22007 H1 TIP3 7542 32.154 75.877 -7.485 1.00 0.00 WT1 H ATOM 22008 H2 TIP3 7542 33.668 75.862 -7.495 1.00 0.00 WT1 H ATOM 22009 OH2 TIP3 7543 51.384 71.554 9.966 1.00 0.00 WT1 O ATOM 22010 H1 TIP3 7543 50.845 71.107 10.618 1.00 0.00 WT1 H ATOM 22011 H2 TIP3 7543 52.260 71.187 10.085 1.00 0.00 WT1 H ATOM 22012 OH2 TIP3 7544 83.011 16.509 56.991 1.00 0.00 WT1 O ATOM 22013 H1 TIP3 7544 83.241 16.507 56.062 1.00 0.00 WT1 H ATOM 22014 H2 TIP3 7544 82.525 17.324 57.117 1.00 0.00 WT1 H ATOM 22015 OH2 TIP3 7545 82.777 71.863 43.425 1.00 0.00 WT1 O ATOM 22016 H1 TIP3 7545 82.624 71.282 42.680 1.00 0.00 WT1 H ATOM 22017 H2 TIP3 7545 83.158 72.652 43.040 1.00 0.00 WT1 H ATOM 22018 OH2 TIP3 7546 76.365 48.957 0.436 1.00 0.00 WT1 O ATOM 22019 H1 TIP3 7546 75.577 48.621 0.863 1.00 0.00 WT1 H ATOM 22020 H2 TIP3 7546 76.211 49.898 0.353 1.00 0.00 WT1 H ATOM 22021 OH2 TIP3 7547 49.410 48.214 40.407 1.00 0.00 WT1 O ATOM 22022 H1 TIP3 7547 49.844 47.571 40.967 1.00 0.00 WT1 H ATOM 22023 H2 TIP3 7547 48.771 47.705 39.908 1.00 0.00 WT1 H ATOM 22024 OH2 TIP3 7548 69.098 62.361 30.994 1.00 0.00 WT1 O ATOM 22025 H1 TIP3 7548 68.669 62.261 30.144 1.00 0.00 WT1 H ATOM 22026 H2 TIP3 7548 68.435 62.096 31.630 1.00 0.00 WT1 H ATOM 22027 OH2 TIP3 7549 66.711 45.901 5.520 1.00 0.00 WT1 O ATOM 22028 H1 TIP3 7549 65.941 45.495 5.122 1.00 0.00 WT1 H ATOM 22029 H2 TIP3 7549 66.633 46.830 5.303 1.00 0.00 WT1 H ATOM 22030 OH2 TIP3 7550 89.027 26.369 52.734 1.00 0.00 WT1 O ATOM 22031 H1 TIP3 7550 89.524 25.595 52.468 1.00 0.00 WT1 H ATOM 22032 H2 TIP3 7550 89.000 26.918 51.950 1.00 0.00 WT1 H ATOM 22033 OH2 TIP3 7551 26.656 92.254 25.990 1.00 0.00 WT1 O ATOM 22034 H1 TIP3 7551 27.340 91.947 25.394 1.00 0.00 WT1 H ATOM 22035 H2 TIP3 7551 25.837 92.058 25.536 1.00 0.00 WT1 H ATOM 22036 OH2 TIP3 7552 20.875 72.922 27.789 1.00 0.00 WT1 O ATOM 22037 H1 TIP3 7552 20.837 72.034 27.435 1.00 0.00 WT1 H ATOM 22038 H2 TIP3 7552 20.295 73.431 27.223 1.00 0.00 WT1 H ATOM 22039 OH2 TIP3 7553 36.938 91.239 62.022 1.00 0.00 WT1 O ATOM 22040 H1 TIP3 7553 36.952 91.048 62.960 1.00 0.00 WT1 H ATOM 22041 H2 TIP3 7553 36.320 91.965 61.934 1.00 0.00 WT1 H ATOM 22042 OH2 TIP3 7554 45.474 52.937 63.643 1.00 0.00 WT1 O ATOM 22043 H1 TIP3 7554 45.765 53.550 64.319 1.00 0.00 WT1 H ATOM 22044 H2 TIP3 7554 44.899 53.456 63.081 1.00 0.00 WT1 H ATOM 22045 OH2 TIP3 7555 79.136 45.881 61.610 1.00 0.00 WT1 O ATOM 22046 H1 TIP3 7555 78.536 46.626 61.642 1.00 0.00 WT1 H ATOM 22047 H2 TIP3 7555 79.162 45.633 60.686 1.00 0.00 WT1 H ATOM 22048 OH2 TIP3 7556 22.079 89.081 51.792 1.00 0.00 WT1 O ATOM 22049 H1 TIP3 7556 21.287 88.620 51.513 1.00 0.00 WT1 H ATOM 22050 H2 TIP3 7556 21.757 89.869 52.229 1.00 0.00 WT1 H ATOM 22051 OH2 TIP3 7557 85.223 29.018 -3.307 1.00 0.00 WT1 O ATOM 22052 H1 TIP3 7557 84.952 29.903 -3.549 1.00 0.00 WT1 H ATOM 22053 H2 TIP3 7557 85.896 29.147 -2.638 1.00 0.00 WT1 H ATOM 22054 OH2 TIP3 7558 65.905 6.618 32.189 1.00 0.00 WT1 O ATOM 22055 H1 TIP3 7558 66.084 7.499 32.517 1.00 0.00 WT1 H ATOM 22056 H2 TIP3 7558 66.517 6.504 31.462 1.00 0.00 WT1 H ATOM 22057 OH2 TIP3 7559 74.104 48.218 2.064 1.00 0.00 WT1 O ATOM 22058 H1 TIP3 7559 73.751 49.011 2.469 1.00 0.00 WT1 H ATOM 22059 H2 TIP3 7559 73.413 47.564 2.176 1.00 0.00 WT1 H ATOM 22060 OH2 TIP3 7560 59.241 90.851 49.460 1.00 0.00 WT1 O ATOM 22061 H1 TIP3 7560 58.435 91.202 49.080 1.00 0.00 WT1 H ATOM 22062 H2 TIP3 7560 59.192 89.909 49.298 1.00 0.00 WT1 H ATOM 22063 OH2 TIP3 7561 58.661 23.785 56.665 1.00 0.00 WT1 O ATOM 22064 H1 TIP3 7561 58.151 24.179 57.373 1.00 0.00 WT1 H ATOM 22065 H2 TIP3 7561 59.241 24.487 56.368 1.00 0.00 WT1 H ATOM 22066 OH2 TIP3 7562 45.175 10.588 47.606 1.00 0.00 WT1 O ATOM 22067 H1 TIP3 7562 44.244 10.462 47.790 1.00 0.00 WT1 H ATOM 22068 H2 TIP3 7562 45.205 11.357 47.037 1.00 0.00 WT1 H ATOM 22069 OH2 TIP3 7563 90.618 81.091 8.131 1.00 0.00 WT1 O ATOM 22070 H1 TIP3 7563 90.595 80.227 8.542 1.00 0.00 WT1 H ATOM 22071 H2 TIP3 7563 90.606 81.707 8.864 1.00 0.00 WT1 H ATOM 22072 OH2 TIP3 7564 74.749 57.316 -10.023 1.00 0.00 WT1 O ATOM 22073 H1 TIP3 7564 75.674 57.333 -10.266 1.00 0.00 WT1 H ATOM 22074 H2 TIP3 7564 74.568 58.202 -9.707 1.00 0.00 WT1 H ATOM 22075 OH2 TIP3 7565 63.697 62.805 56.371 1.00 0.00 WT1 O ATOM 22076 H1 TIP3 7565 64.023 63.704 56.328 1.00 0.00 WT1 H ATOM 22077 H2 TIP3 7565 62.758 62.898 56.534 1.00 0.00 WT1 H ATOM 22078 OH2 TIP3 7566 22.297 50.901 -16.560 1.00 0.00 WT1 O ATOM 22079 H1 TIP3 7566 22.304 50.167 -15.946 1.00 0.00 WT1 H ATOM 22080 H2 TIP3 7566 21.807 50.577 -17.316 1.00 0.00 WT1 H ATOM 22081 OH2 TIP3 7567 56.939 11.212 9.839 1.00 0.00 WT1 O ATOM 22082 H1 TIP3 7567 56.833 11.149 8.890 1.00 0.00 WT1 H ATOM 22083 H2 TIP3 7567 56.072 11.457 10.162 1.00 0.00 WT1 H ATOM 22084 OH2 TIP3 7568 30.016 80.215 -5.755 1.00 0.00 WT1 O ATOM 22085 H1 TIP3 7568 30.206 80.603 -4.901 1.00 0.00 WT1 H ATOM 22086 H2 TIP3 7568 29.826 79.296 -5.565 1.00 0.00 WT1 H ATOM 22087 OH2 TIP3 7569 69.586 61.475 50.742 1.00 0.00 WT1 O ATOM 22088 H1 TIP3 7569 68.827 61.228 51.271 1.00 0.00 WT1 H ATOM 22089 H2 TIP3 7569 70.148 61.964 51.342 1.00 0.00 WT1 H ATOM 22090 OH2 TIP3 7570 33.108 2.180 31.738 1.00 0.00 WT1 O ATOM 22091 H1 TIP3 7570 33.325 2.286 30.812 1.00 0.00 WT1 H ATOM 22092 H2 TIP3 7570 33.955 2.163 32.183 1.00 0.00 WT1 H ATOM 22093 OH2 TIP3 7571 36.308 77.548 34.163 1.00 0.00 WT1 O ATOM 22094 H1 TIP3 7571 36.738 77.155 34.923 1.00 0.00 WT1 H ATOM 22095 H2 TIP3 7571 36.507 76.953 33.440 1.00 0.00 WT1 H ATOM 22096 OH2 TIP3 7572 85.398 82.610 63.855 1.00 0.00 WT1 O ATOM 22097 H1 TIP3 7572 85.656 83.200 64.563 1.00 0.00 WT1 H ATOM 22098 H2 TIP3 7572 84.522 82.310 64.099 1.00 0.00 WT1 H ATOM 22099 OH2 TIP3 7573 29.885 20.544 12.411 1.00 0.00 WT1 O ATOM 22100 H1 TIP3 7573 29.104 20.064 12.688 1.00 0.00 WT1 H ATOM 22101 H2 TIP3 7573 30.223 20.937 13.216 1.00 0.00 WT1 H ATOM 22102 OH2 TIP3 7574 54.030 77.675 -3.006 1.00 0.00 WT1 O ATOM 22103 H1 TIP3 7574 54.556 77.794 -2.216 1.00 0.00 WT1 H ATOM 22104 H2 TIP3 7574 54.493 77.003 -3.505 1.00 0.00 WT1 H ATOM 22105 OH2 TIP3 7575 52.212 76.349 62.477 1.00 0.00 WT1 O ATOM 22106 H1 TIP3 7575 51.584 75.677 62.743 1.00 0.00 WT1 H ATOM 22107 H2 TIP3 7575 52.878 76.340 63.164 1.00 0.00 WT1 H ATOM 22108 OH2 TIP3 7576 58.845 56.756 -6.958 1.00 0.00 WT1 O ATOM 22109 H1 TIP3 7576 58.630 56.812 -6.027 1.00 0.00 WT1 H ATOM 22110 H2 TIP3 7576 58.007 56.586 -7.388 1.00 0.00 WT1 H ATOM 22111 OH2 TIP3 7577 56.452 42.903 53.868 1.00 0.00 WT1 O ATOM 22112 H1 TIP3 7577 55.857 43.443 53.347 1.00 0.00 WT1 H ATOM 22113 H2 TIP3 7577 57.325 43.138 53.555 1.00 0.00 WT1 H ATOM 22114 OH2 TIP3 7578 62.843 19.730 0.888 1.00 0.00 WT1 O ATOM 22115 H1 TIP3 7578 62.800 18.791 1.070 1.00 0.00 WT1 H ATOM 22116 H2 TIP3 7578 61.960 20.051 1.069 1.00 0.00 WT1 H ATOM 22117 OH2 TIP3 7579 20.563 32.146 62.549 1.00 0.00 WT1 O ATOM 22118 H1 TIP3 7579 20.098 31.601 61.913 1.00 0.00 WT1 H ATOM 22119 H2 TIP3 7579 20.551 31.634 63.357 1.00 0.00 WT1 H ATOM 22120 OH2 TIP3 7580 76.546 5.056 -15.462 1.00 0.00 WT1 O ATOM 22121 H1 TIP3 7580 75.904 4.389 -15.221 1.00 0.00 WT1 H ATOM 22122 H2 TIP3 7580 77.395 4.640 -15.309 1.00 0.00 WT1 H ATOM 22123 OH2 TIP3 7581 78.991 86.423 50.340 1.00 0.00 WT1 O ATOM 22124 H1 TIP3 7581 79.244 85.847 51.062 1.00 0.00 WT1 H ATOM 22125 H2 TIP3 7581 79.790 86.904 50.125 1.00 0.00 WT1 H ATOM 22126 OH2 TIP3 7582 23.230 31.505 50.938 1.00 0.00 WT1 O ATOM 22127 H1 TIP3 7582 23.526 32.415 50.923 1.00 0.00 WT1 H ATOM 22128 H2 TIP3 7582 23.755 31.071 50.266 1.00 0.00 WT1 H ATOM 22129 OH2 TIP3 7584 21.320 40.466 26.097 1.00 0.00 WT1 O ATOM 22130 H1 TIP3 7584 20.505 40.285 25.628 1.00 0.00 WT1 H ATOM 22131 H2 TIP3 7584 21.704 41.210 25.632 1.00 0.00 WT1 H ATOM 22132 OH2 TIP3 7585 77.751 36.082 54.119 1.00 0.00 WT1 O ATOM 22133 H1 TIP3 7585 77.108 36.675 54.509 1.00 0.00 WT1 H ATOM 22134 H2 TIP3 7585 77.228 35.366 53.757 1.00 0.00 WT1 H ATOM 22135 OH2 TIP3 7586 31.478 85.199 22.007 1.00 0.00 WT1 O ATOM 22136 H1 TIP3 7586 31.033 85.130 22.852 1.00 0.00 WT1 H ATOM 22137 H2 TIP3 7586 32.410 85.186 22.225 1.00 0.00 WT1 H ATOM 22138 OH2 TIP3 7587 42.912 95.803 62.971 1.00 0.00 WT1 O ATOM 22139 H1 TIP3 7587 43.029 95.119 62.312 1.00 0.00 WT1 H ATOM 22140 H2 TIP3 7587 42.004 95.708 63.258 1.00 0.00 WT1 H ATOM 22141 OH2 TIP3 7588 86.990 66.692 -4.163 1.00 0.00 WT1 O ATOM 22142 H1 TIP3 7588 86.905 66.695 -3.210 1.00 0.00 WT1 H ATOM 22143 H2 TIP3 7588 86.930 65.769 -4.407 1.00 0.00 WT1 H ATOM 22144 OH2 TIP3 7589 67.386 37.164 23.334 1.00 0.00 WT1 O ATOM 22145 H1 TIP3 7589 67.339 38.118 23.403 1.00 0.00 WT1 H ATOM 22146 H2 TIP3 7589 66.977 36.845 24.139 1.00 0.00 WT1 H ATOM 22147 OH2 TIP3 7590 65.557 26.242 19.830 1.00 0.00 WT1 O ATOM 22148 H1 TIP3 7590 65.069 25.437 20.005 1.00 0.00 WT1 H ATOM 22149 H2 TIP3 7590 64.883 26.914 19.731 1.00 0.00 WT1 H ATOM 22150 OH2 TIP3 7591 85.324 89.513 17.650 1.00 0.00 WT1 O ATOM 22151 H1 TIP3 7591 85.282 89.576 18.604 1.00 0.00 WT1 H ATOM 22152 H2 TIP3 7591 85.852 88.732 17.484 1.00 0.00 WT1 H ATOM 22153 OH2 TIP3 7592 74.283 7.347 -13.759 1.00 0.00 WT1 O ATOM 22154 H1 TIP3 7592 74.353 6.528 -13.268 1.00 0.00 WT1 H ATOM 22155 H2 TIP3 7592 75.189 7.598 -13.936 1.00 0.00 WT1 H ATOM 22156 OH2 TIP3 7593 30.547 17.632 10.281 1.00 0.00 WT1 O ATOM 22157 H1 TIP3 7593 30.064 17.816 11.086 1.00 0.00 WT1 H ATOM 22158 H2 TIP3 7593 31.121 16.901 10.507 1.00 0.00 WT1 H ATOM 22159 OH2 TIP3 7594 54.751 4.072 35.718 1.00 0.00 WT1 O ATOM 22160 H1 TIP3 7594 54.858 3.717 34.835 1.00 0.00 WT1 H ATOM 22161 H2 TIP3 7594 54.415 3.338 36.232 1.00 0.00 WT1 H ATOM 22162 OH2 TIP3 7595 40.541 48.090 48.607 1.00 0.00 WT1 O ATOM 22163 H1 TIP3 7595 40.105 48.912 48.831 1.00 0.00 WT1 H ATOM 22164 H2 TIP3 7595 41.470 48.315 48.558 1.00 0.00 WT1 H ATOM 22165 OH2 TIP3 7596 28.554 80.495 43.383 1.00 0.00 WT1 O ATOM 22166 H1 TIP3 7596 28.993 79.702 43.692 1.00 0.00 WT1 H ATOM 22167 H2 TIP3 7596 29.184 81.197 43.547 1.00 0.00 WT1 H ATOM 22168 OH2 TIP3 7597 48.567 93.922 28.782 1.00 0.00 WT1 O ATOM 22169 H1 TIP3 7597 48.411 93.060 28.396 1.00 0.00 WT1 H ATOM 22170 H2 TIP3 7597 48.841 94.469 28.045 1.00 0.00 WT1 H ATOM 22171 OH2 TIP3 7598 56.062 64.107 -15.032 1.00 0.00 WT1 O ATOM 22172 H1 TIP3 7598 55.250 63.877 -15.484 1.00 0.00 WT1 H ATOM 22173 H2 TIP3 7598 55.850 64.025 -14.102 1.00 0.00 WT1 H ATOM 22174 OH2 TIP3 7599 51.644 4.816 45.220 1.00 0.00 WT1 O ATOM 22175 H1 TIP3 7599 52.483 4.826 44.760 1.00 0.00 WT1 H ATOM 22176 H2 TIP3 7599 51.866 5.017 46.129 1.00 0.00 WT1 H ATOM 22177 OH2 TIP3 7600 29.954 43.441 10.774 1.00 0.00 WT1 O ATOM 22178 H1 TIP3 7600 30.298 43.328 9.888 1.00 0.00 WT1 H ATOM 22179 H2 TIP3 7600 29.968 44.388 10.917 1.00 0.00 WT1 H ATOM 22180 OH2 TIP3 7601 84.154 61.869 9.657 1.00 0.00 WT1 O ATOM 22181 H1 TIP3 7601 84.962 61.404 9.440 1.00 0.00 WT1 H ATOM 22182 H2 TIP3 7601 83.573 61.191 10.003 1.00 0.00 WT1 H ATOM 22183 OH2 TIP3 7602 60.510 49.747 -19.582 1.00 0.00 WT1 O ATOM 22184 H1 TIP3 7602 60.379 49.794 -20.530 1.00 0.00 WT1 H ATOM 22185 H2 TIP3 7602 60.901 50.589 -19.352 1.00 0.00 WT1 H ATOM 22186 OH2 TIP3 7603 48.609 23.755 -2.060 1.00 0.00 WT1 O ATOM 22187 H1 TIP3 7603 49.003 23.562 -1.210 1.00 0.00 WT1 H ATOM 22188 H2 TIP3 7603 49.225 24.356 -2.480 1.00 0.00 WT1 H ATOM 22189 OH2 TIP3 7604 67.357 85.443 2.719 1.00 0.00 WT1 O ATOM 22190 H1 TIP3 7604 67.515 84.609 2.278 1.00 0.00 WT1 H ATOM 22191 H2 TIP3 7604 68.177 85.928 2.617 1.00 0.00 WT1 H ATOM 22192 OH2 TIP3 7605 63.150 13.767 47.667 1.00 0.00 WT1 O ATOM 22193 H1 TIP3 7605 62.270 13.866 47.305 1.00 0.00 WT1 H ATOM 22194 H2 TIP3 7605 63.495 14.658 47.707 1.00 0.00 WT1 H ATOM 22195 OH2 TIP3 7606 60.028 33.802 26.957 1.00 0.00 WT1 O ATOM 22196 H1 TIP3 7606 60.615 34.216 27.589 1.00 0.00 WT1 H ATOM 22197 H2 TIP3 7606 60.460 33.927 26.112 1.00 0.00 WT1 H ATOM 22198 OH2 TIP3 7608 70.618 5.163 35.189 1.00 0.00 WT1 O ATOM 22199 H1 TIP3 7608 69.694 5.263 34.960 1.00 0.00 WT1 H ATOM 22200 H2 TIP3 7608 70.932 4.462 34.618 1.00 0.00 WT1 H ATOM 22201 OH2 TIP3 7609 57.433 94.418 64.165 1.00 0.00 WT1 O ATOM 22202 H1 TIP3 7609 57.078 93.530 64.142 1.00 0.00 WT1 H ATOM 22203 H2 TIP3 7609 57.102 94.788 64.984 1.00 0.00 WT1 H ATOM 22204 OH2 TIP3 7610 51.554 20.707 -10.232 1.00 0.00 WT1 O ATOM 22205 H1 TIP3 7610 50.616 20.599 -10.392 1.00 0.00 WT1 H ATOM 22206 H2 TIP3 7610 51.748 20.093 -9.524 1.00 0.00 WT1 H ATOM 22207 OH2 TIP3 7611 55.233 81.528 -3.614 1.00 0.00 WT1 O ATOM 22208 H1 TIP3 7611 55.577 81.783 -4.470 1.00 0.00 WT1 H ATOM 22209 H2 TIP3 7611 55.999 81.225 -3.128 1.00 0.00 WT1 H ATOM 22210 OH2 TIP3 7612 50.172 12.794 0.420 1.00 0.00 WT1 O ATOM 22211 H1 TIP3 7612 49.567 12.221 0.891 1.00 0.00 WT1 H ATOM 22212 H2 TIP3 7612 50.102 13.637 0.867 1.00 0.00 WT1 H ATOM 22213 OH2 TIP3 7613 23.890 34.056 22.916 1.00 0.00 WT1 O ATOM 22214 H1 TIP3 7613 23.819 33.736 22.017 1.00 0.00 WT1 H ATOM 22215 H2 TIP3 7613 24.350 34.892 22.838 1.00 0.00 WT1 H ATOM 22216 OH2 TIP3 7614 42.304 79.561 40.930 1.00 0.00 WT1 O ATOM 22217 H1 TIP3 7614 42.845 80.006 40.278 1.00 0.00 WT1 H ATOM 22218 H2 TIP3 7614 42.669 78.678 40.982 1.00 0.00 WT1 H ATOM 22219 OH2 TIP3 7615 73.145 94.854 1.253 1.00 0.00 WT1 O ATOM 22220 H1 TIP3 7615 73.217 95.447 2.001 1.00 0.00 WT1 H ATOM 22221 H2 TIP3 7615 73.150 93.978 1.640 1.00 0.00 WT1 H ATOM 22222 OH2 TIP3 7616 81.070 45.940 -15.489 1.00 0.00 WT1 O ATOM 22223 H1 TIP3 7616 81.623 45.463 -16.109 1.00 0.00 WT1 H ATOM 22224 H2 TIP3 7616 80.990 45.352 -14.738 1.00 0.00 WT1 H ATOM 22225 OH2 TIP3 7617 80.464 76.045 0.042 1.00 0.00 WT1 O ATOM 22226 H1 TIP3 7617 79.941 75.345 0.432 1.00 0.00 WT1 H ATOM 22227 H2 TIP3 7617 79.849 76.771 -0.068 1.00 0.00 WT1 H ATOM 22228 OH2 TIP3 7618 64.034 4.776 38.294 1.00 0.00 WT1 O ATOM 22229 H1 TIP3 7618 64.553 5.184 37.601 1.00 0.00 WT1 H ATOM 22230 H2 TIP3 7618 64.410 5.115 39.107 1.00 0.00 WT1 H ATOM 22231 OH2 TIP3 7619 32.385 13.870 41.070 1.00 0.00 WT1 O ATOM 22232 H1 TIP3 7619 31.579 13.885 41.585 1.00 0.00 WT1 H ATOM 22233 H2 TIP3 7619 32.164 13.357 40.293 1.00 0.00 WT1 H ATOM 22234 OH2 TIP3 7620 23.390 74.108 59.712 1.00 0.00 WT1 O ATOM 22235 H1 TIP3 7620 22.520 73.841 60.007 1.00 0.00 WT1 H ATOM 22236 H2 TIP3 7620 23.994 73.588 60.242 1.00 0.00 WT1 H ATOM 22237 OH2 TIP3 7621 29.304 88.858 -18.364 1.00 0.00 WT1 O ATOM 22238 H1 TIP3 7621 29.109 89.604 -17.796 1.00 0.00 WT1 H ATOM 22239 H2 TIP3 7621 28.700 88.954 -19.100 1.00 0.00 WT1 H ATOM 22240 OH2 TIP3 7622 52.338 20.096 26.216 1.00 0.00 WT1 O ATOM 22241 H1 TIP3 7622 51.526 20.398 25.809 1.00 0.00 WT1 H ATOM 22242 H2 TIP3 7622 52.845 20.895 26.362 1.00 0.00 WT1 H ATOM 22243 OH2 TIP3 7623 22.122 9.278 56.665 1.00 0.00 WT1 O ATOM 22244 H1 TIP3 7623 21.436 8.843 57.170 1.00 0.00 WT1 H ATOM 22245 H2 TIP3 7623 22.216 10.137 57.077 1.00 0.00 WT1 H ATOM 22246 OH2 TIP3 7624 62.196 8.127 -16.708 1.00 0.00 WT1 O ATOM 22247 H1 TIP3 7624 61.776 7.293 -16.495 1.00 0.00 WT1 H ATOM 22248 H2 TIP3 7624 62.905 7.893 -17.307 1.00 0.00 WT1 H ATOM 22249 OH2 TIP3 7625 29.941 0.084 -2.697 1.00 0.00 WT1 O ATOM 22250 H1 TIP3 7625 29.992 -0.401 -1.873 1.00 0.00 WT1 H ATOM 22251 H2 TIP3 7625 30.006 1.003 -2.438 1.00 0.00 WT1 H ATOM 22252 OH2 TIP3 7626 49.681 49.102 37.491 1.00 0.00 WT1 O ATOM 22253 H1 TIP3 7626 49.363 48.932 38.378 1.00 0.00 WT1 H ATOM 22254 H2 TIP3 7626 50.478 48.578 37.418 1.00 0.00 WT1 H ATOM 22255 OH2 TIP3 7627 31.242 89.006 -10.478 1.00 0.00 WT1 O ATOM 22256 H1 TIP3 7627 30.711 89.653 -10.013 1.00 0.00 WT1 H ATOM 22257 H2 TIP3 7627 31.925 88.763 -9.854 1.00 0.00 WT1 H ATOM 22258 OH2 TIP3 7628 22.376 95.971 -15.078 1.00 0.00 WT1 O ATOM 22259 H1 TIP3 7628 21.717 96.022 -14.386 1.00 0.00 WT1 H ATOM 22260 H2 TIP3 7628 23.212 95.959 -14.613 1.00 0.00 WT1 H ATOM 22261 OH2 TIP3 7630 23.378 1.414 12.573 1.00 0.00 WT1 O ATOM 22262 H1 TIP3 7630 24.171 1.948 12.518 1.00 0.00 WT1 H ATOM 22263 H2 TIP3 7630 23.682 0.518 12.430 1.00 0.00 WT1 H ATOM 22264 OH2 TIP3 7631 69.065 5.956 37.512 1.00 0.00 WT1 O ATOM 22265 H1 TIP3 7631 69.547 5.582 36.774 1.00 0.00 WT1 H ATOM 22266 H2 TIP3 7631 69.676 5.908 38.247 1.00 0.00 WT1 H ATOM 22267 OH2 TIP3 7632 42.620 16.759 59.453 1.00 0.00 WT1 O ATOM 22268 H1 TIP3 7632 43.436 16.598 59.927 1.00 0.00 WT1 H ATOM 22269 H2 TIP3 7632 42.577 16.057 58.804 1.00 0.00 WT1 H ATOM 22270 OH2 TIP3 7633 63.788 44.623 14.484 1.00 0.00 WT1 O ATOM 22271 H1 TIP3 7633 64.586 44.424 14.973 1.00 0.00 WT1 H ATOM 22272 H2 TIP3 7633 63.165 44.916 15.149 1.00 0.00 WT1 H ATOM 22273 OH2 TIP3 7634 22.244 93.732 59.726 1.00 0.00 WT1 O ATOM 22274 H1 TIP3 7634 22.901 93.775 60.421 1.00 0.00 WT1 H ATOM 22275 H2 TIP3 7634 21.679 94.488 59.884 1.00 0.00 WT1 H ATOM 22276 OH2 TIP3 7635 49.976 7.062 -0.995 1.00 0.00 WT1 O ATOM 22277 H1 TIP3 7635 49.080 7.260 -0.724 1.00 0.00 WT1 H ATOM 22278 H2 TIP3 7635 50.514 7.703 -0.531 1.00 0.00 WT1 H ATOM 22279 OH2 TIP3 7636 87.039 60.672 28.078 1.00 0.00 WT1 O ATOM 22280 H1 TIP3 7636 87.904 61.066 28.183 1.00 0.00 WT1 H ATOM 22281 H2 TIP3 7636 87.180 59.942 27.475 1.00 0.00 WT1 H ATOM 22282 OH2 TIP3 7637 21.704 26.823 45.719 1.00 0.00 WT1 O ATOM 22283 H1 TIP3 7637 22.397 26.184 45.885 1.00 0.00 WT1 H ATOM 22284 H2 TIP3 7637 20.918 26.429 46.097 1.00 0.00 WT1 H ATOM 22285 OH2 TIP3 7638 81.805 26.089 30.222 1.00 0.00 WT1 O ATOM 22286 H1 TIP3 7638 82.355 25.564 30.804 1.00 0.00 WT1 H ATOM 22287 H2 TIP3 7638 82.419 26.488 29.606 1.00 0.00 WT1 H ATOM 22288 OH2 TIP3 7639 31.492 27.014 48.946 1.00 0.00 WT1 O ATOM 22289 H1 TIP3 7639 31.899 27.058 48.081 1.00 0.00 WT1 H ATOM 22290 H2 TIP3 7639 31.100 26.142 48.983 1.00 0.00 WT1 H ATOM 22291 OH2 TIP3 7640 63.906 36.288 -13.500 1.00 0.00 WT1 O ATOM 22292 H1 TIP3 7640 64.501 35.624 -13.152 1.00 0.00 WT1 H ATOM 22293 H2 TIP3 7640 63.078 36.130 -13.045 1.00 0.00 WT1 H ATOM 22294 OH2 TIP3 7641 74.027 62.858 -11.561 1.00 0.00 WT1 O ATOM 22295 H1 TIP3 7641 73.588 63.700 -11.675 1.00 0.00 WT1 H ATOM 22296 H2 TIP3 7641 73.521 62.248 -12.097 1.00 0.00 WT1 H ATOM 22297 OH2 TIP3 7642 57.413 85.031 16.143 1.00 0.00 WT1 O ATOM 22298 H1 TIP3 7642 56.716 84.976 16.797 1.00 0.00 WT1 H ATOM 22299 H2 TIP3 7642 56.952 85.077 15.305 1.00 0.00 WT1 H ATOM 22300 OH2 TIP3 7643 70.540 77.124 65.762 1.00 0.00 WT1 O ATOM 22301 H1 TIP3 7643 70.366 76.223 65.488 1.00 0.00 WT1 H ATOM 22302 H2 TIP3 7643 69.774 77.370 66.279 1.00 0.00 WT1 H ATOM 22303 OH2 TIP3 7644 26.361 54.581 28.897 1.00 0.00 WT1 O ATOM 22304 H1 TIP3 7644 27.114 54.108 28.542 1.00 0.00 WT1 H ATOM 22305 H2 TIP3 7644 26.324 55.390 28.388 1.00 0.00 WT1 H ATOM 22306 OH2 TIP3 7645 58.665 13.757 43.037 1.00 0.00 WT1 O ATOM 22307 H1 TIP3 7645 57.816 14.197 42.996 1.00 0.00 WT1 H ATOM 22308 H2 TIP3 7645 59.199 14.205 42.381 1.00 0.00 WT1 H ATOM 22309 OH2 TIP3 7646 43.823 16.105 -3.610 1.00 0.00 WT1 O ATOM 22310 H1 TIP3 7646 43.879 16.831 -2.989 1.00 0.00 WT1 H ATOM 22311 H2 TIP3 7646 43.417 15.394 -3.112 1.00 0.00 WT1 H ATOM 22312 OH2 TIP3 7647 60.282 66.205 58.105 1.00 0.00 WT1 O ATOM 22313 H1 TIP3 7647 60.676 65.700 57.394 1.00 0.00 WT1 H ATOM 22314 H2 TIP3 7647 59.344 66.031 58.032 1.00 0.00 WT1 H ATOM 22315 OH2 TIP3 7648 76.405 14.560 47.534 1.00 0.00 WT1 O ATOM 22316 H1 TIP3 7648 76.343 13.688 47.144 1.00 0.00 WT1 H ATOM 22317 H2 TIP3 7648 76.992 15.043 46.952 1.00 0.00 WT1 H ATOM 22318 OH2 TIP3 7649 68.957 25.192 65.572 1.00 0.00 WT1 O ATOM 22319 H1 TIP3 7649 68.458 24.532 66.053 1.00 0.00 WT1 H ATOM 22320 H2 TIP3 7649 68.921 25.972 66.125 1.00 0.00 WT1 H ATOM 22321 OH2 TIP3 7650 75.210 86.189 12.287 1.00 0.00 WT1 O ATOM 22322 H1 TIP3 7650 75.370 85.901 13.185 1.00 0.00 WT1 H ATOM 22323 H2 TIP3 7650 75.757 86.967 12.184 1.00 0.00 WT1 H ATOM 22324 OH2 TIP3 7651 79.593 61.022 1.803 1.00 0.00 WT1 O ATOM 22325 H1 TIP3 7651 78.848 60.696 2.308 1.00 0.00 WT1 H ATOM 22326 H2 TIP3 7651 80.354 60.592 2.193 1.00 0.00 WT1 H ATOM 22327 OH2 TIP3 7652 25.579 75.953 -5.769 1.00 0.00 WT1 O ATOM 22328 H1 TIP3 7652 25.050 76.348 -5.076 1.00 0.00 WT1 H ATOM 22329 H2 TIP3 7652 26.412 75.746 -5.346 1.00 0.00 WT1 H ATOM 22330 OH2 TIP3 7653 73.884 25.471 23.764 1.00 0.00 WT1 O ATOM 22331 H1 TIP3 7653 73.262 25.926 24.332 1.00 0.00 WT1 H ATOM 22332 H2 TIP3 7653 74.722 25.542 24.221 1.00 0.00 WT1 H ATOM 22333 OH2 TIP3 7654 61.738 47.645 8.377 1.00 0.00 WT1 O ATOM 22334 H1 TIP3 7654 60.833 47.854 8.610 1.00 0.00 WT1 H ATOM 22335 H2 TIP3 7654 62.257 47.971 9.112 1.00 0.00 WT1 H ATOM 22336 OH2 TIP3 7655 73.217 40.886 36.707 1.00 0.00 WT1 O ATOM 22337 H1 TIP3 7655 73.661 40.951 37.552 1.00 0.00 WT1 H ATOM 22338 H2 TIP3 7655 72.911 41.775 36.527 1.00 0.00 WT1 H ATOM 22339 OH2 TIP3 7656 85.486 31.235 13.017 1.00 0.00 WT1 O ATOM 22340 H1 TIP3 7656 85.388 31.666 13.866 1.00 0.00 WT1 H ATOM 22341 H2 TIP3 7656 84.813 30.554 13.014 1.00 0.00 WT1 H ATOM 22342 OH2 TIP3 7657 70.739 86.665 16.640 1.00 0.00 WT1 O ATOM 22343 H1 TIP3 7657 70.579 86.369 17.536 1.00 0.00 WT1 H ATOM 22344 H2 TIP3 7657 70.061 86.232 16.120 1.00 0.00 WT1 H ATOM 22345 OH2 TIP3 7658 90.122 55.771 42.041 1.00 0.00 WT1 O ATOM 22346 H1 TIP3 7658 89.818 54.932 42.386 1.00 0.00 WT1 H ATOM 22347 H2 TIP3 7658 89.728 56.425 42.618 1.00 0.00 WT1 H ATOM 22348 OH2 TIP3 7659 34.531 6.990 25.055 1.00 0.00 WT1 O ATOM 22349 H1 TIP3 7659 34.682 7.004 26.000 1.00 0.00 WT1 H ATOM 22350 H2 TIP3 7659 35.240 7.519 24.690 1.00 0.00 WT1 H ATOM 22351 OH2 TIP3 7660 89.067 55.187 66.477 1.00 0.00 WT1 O ATOM 22352 H1 TIP3 7660 88.758 55.981 66.915 1.00 0.00 WT1 H ATOM 22353 H2 TIP3 7660 88.267 54.739 66.202 1.00 0.00 WT1 H ATOM 22354 OH2 TIP3 7661 87.487 80.324 -3.256 1.00 0.00 WT1 O ATOM 22355 H1 TIP3 7661 88.264 80.466 -2.715 1.00 0.00 WT1 H ATOM 22356 H2 TIP3 7661 87.351 79.377 -3.237 1.00 0.00 WT1 H ATOM 22357 OH2 TIP3 7662 28.807 -0.072 10.746 1.00 0.00 WT1 O ATOM 22358 H1 TIP3 7662 28.644 0.327 11.601 1.00 0.00 WT1 H ATOM 22359 H2 TIP3 7662 27.951 -0.079 10.318 1.00 0.00 WT1 H ATOM 22360 OH2 TIP3 7663 89.951 70.481 5.981 1.00 0.00 WT1 O ATOM 22361 H1 TIP3 7663 89.317 70.759 5.321 1.00 0.00 WT1 H ATOM 22362 H2 TIP3 7663 90.412 71.283 6.225 1.00 0.00 WT1 H ATOM 22363 OH2 TIP3 7664 45.529 12.799 33.561 1.00 0.00 WT1 O ATOM 22364 H1 TIP3 7664 45.386 13.235 32.721 1.00 0.00 WT1 H ATOM 22365 H2 TIP3 7664 46.394 13.095 33.841 1.00 0.00 WT1 H ATOM 22366 OH2 TIP3 7665 72.910 8.106 -3.160 1.00 0.00 WT1 O ATOM 22367 H1 TIP3 7665 73.010 8.742 -2.451 1.00 0.00 WT1 H ATOM 22368 H2 TIP3 7665 73.802 7.822 -3.355 1.00 0.00 WT1 H ATOM 22369 OH2 TIP3 7666 59.418 77.782 26.226 1.00 0.00 WT1 O ATOM 22370 H1 TIP3 7666 59.655 76.859 26.144 1.00 0.00 WT1 H ATOM 22371 H2 TIP3 7666 59.008 78.000 25.389 1.00 0.00 WT1 H ATOM 22372 OH2 TIP3 7667 44.233 4.148 55.532 1.00 0.00 WT1 O ATOM 22373 H1 TIP3 7667 45.047 3.877 55.109 1.00 0.00 WT1 H ATOM 22374 H2 TIP3 7667 44.028 3.436 56.138 1.00 0.00 WT1 H ATOM 22375 OH2 TIP3 7668 89.905 35.987 11.821 1.00 0.00 WT1 O ATOM 22376 H1 TIP3 7668 89.035 36.387 11.801 1.00 0.00 WT1 H ATOM 22377 H2 TIP3 7668 90.158 35.916 10.900 1.00 0.00 WT1 H ATOM 22378 OH2 TIP3 7669 34.026 14.686 -4.009 1.00 0.00 WT1 O ATOM 22379 H1 TIP3 7669 34.489 13.855 -3.897 1.00 0.00 WT1 H ATOM 22380 H2 TIP3 7669 34.721 15.340 -4.081 1.00 0.00 WT1 H ATOM 22381 OH2 TIP3 7670 80.451 0.878 35.620 1.00 0.00 WT1 O ATOM 22382 H1 TIP3 7670 80.555 0.577 34.717 1.00 0.00 WT1 H ATOM 22383 H2 TIP3 7670 79.778 0.305 35.988 1.00 0.00 WT1 H ATOM 22384 OH2 TIP3 7671 23.358 11.669 61.376 1.00 0.00 WT1 O ATOM 22385 H1 TIP3 7671 24.246 11.359 61.556 1.00 0.00 WT1 H ATOM 22386 H2 TIP3 7671 23.224 12.385 61.997 1.00 0.00 WT1 H ATOM 22387 OH2 TIP3 7672 34.918 23.991 -7.453 1.00 0.00 WT1 O ATOM 22388 H1 TIP3 7672 35.579 23.376 -7.136 1.00 0.00 WT1 H ATOM 22389 H2 TIP3 7672 35.148 24.139 -8.370 1.00 0.00 WT1 H ATOM 22390 OH2 TIP3 7673 36.926 61.984 -19.643 1.00 0.00 WT1 O ATOM 22391 H1 TIP3 7673 36.240 62.592 -19.366 1.00 0.00 WT1 H ATOM 22392 H2 TIP3 7673 36.923 62.038 -20.598 1.00 0.00 WT1 H ATOM 22393 OH2 TIP3 7674 76.702 52.247 29.746 1.00 0.00 WT1 O ATOM 22394 H1 TIP3 7674 76.282 52.418 28.903 1.00 0.00 WT1 H ATOM 22395 H2 TIP3 7674 76.288 51.444 30.062 1.00 0.00 WT1 H ATOM 22396 OH2 TIP3 7675 62.955 21.863 -9.957 1.00 0.00 WT1 O ATOM 22397 H1 TIP3 7675 62.349 22.580 -9.768 1.00 0.00 WT1 H ATOM 22398 H2 TIP3 7675 63.553 21.851 -9.210 1.00 0.00 WT1 H ATOM 22399 OH2 TIP3 7676 31.096 60.592 34.283 1.00 0.00 WT1 O ATOM 22400 H1 TIP3 7676 31.412 60.841 33.415 1.00 0.00 WT1 H ATOM 22401 H2 TIP3 7676 30.818 59.681 34.185 1.00 0.00 WT1 H ATOM 22402 OH2 TIP3 7677 89.653 21.166 6.114 1.00 0.00 WT1 O ATOM 22403 H1 TIP3 7677 89.736 20.476 5.457 1.00 0.00 WT1 H ATOM 22404 H2 TIP3 7677 89.895 20.744 6.939 1.00 0.00 WT1 H ATOM 22405 OH2 TIP3 7678 77.047 22.994 12.848 1.00 0.00 WT1 O ATOM 22406 H1 TIP3 7678 76.327 22.452 13.171 1.00 0.00 WT1 H ATOM 22407 H2 TIP3 7678 76.708 23.889 12.884 1.00 0.00 WT1 H ATOM 22408 OH2 TIP3 7679 34.136 64.583 34.530 1.00 0.00 WT1 O ATOM 22409 H1 TIP3 7679 33.899 65.502 34.410 1.00 0.00 WT1 H ATOM 22410 H2 TIP3 7679 34.589 64.344 33.721 1.00 0.00 WT1 H ATOM 22411 OH2 TIP3 7680 70.384 28.830 51.719 1.00 0.00 WT1 O ATOM 22412 H1 TIP3 7680 69.597 29.195 52.125 1.00 0.00 WT1 H ATOM 22413 H2 TIP3 7680 70.253 27.882 51.752 1.00 0.00 WT1 H ATOM 22414 OH2 TIP3 7681 23.145 84.079 0.211 1.00 0.00 WT1 O ATOM 22415 H1 TIP3 7681 23.578 84.797 0.674 1.00 0.00 WT1 H ATOM 22416 H2 TIP3 7681 23.774 83.358 0.243 1.00 0.00 WT1 H ATOM 22417 OH2 TIP3 7682 20.635 5.770 9.580 1.00 0.00 WT1 O ATOM 22418 H1 TIP3 7682 21.425 5.908 10.103 1.00 0.00 WT1 H ATOM 22419 H2 TIP3 7682 20.259 4.959 9.922 1.00 0.00 WT1 H ATOM 22420 OH2 TIP3 7683 85.052 19.202 -10.873 1.00 0.00 WT1 O ATOM 22421 H1 TIP3 7683 85.816 19.422 -10.340 1.00 0.00 WT1 H ATOM 22422 H2 TIP3 7683 84.416 19.889 -10.676 1.00 0.00 WT1 H ATOM 22423 OH2 TIP3 7684 85.802 8.314 65.297 1.00 0.00 WT1 O ATOM 22424 H1 TIP3 7684 86.218 8.873 64.640 1.00 0.00 WT1 H ATOM 22425 H2 TIP3 7684 85.707 8.876 66.065 1.00 0.00 WT1 H ATOM 22426 OH2 TIP3 7685 67.770 93.670 42.254 1.00 0.00 WT1 O ATOM 22427 H1 TIP3 7685 67.036 94.285 42.255 1.00 0.00 WT1 H ATOM 22428 H2 TIP3 7685 68.510 94.180 41.926 1.00 0.00 WT1 H ATOM 22429 OH2 TIP3 7686 72.219 67.965 11.184 1.00 0.00 WT1 O ATOM 22430 H1 TIP3 7686 71.547 67.544 10.648 1.00 0.00 WT1 H ATOM 22431 H2 TIP3 7686 71.734 68.568 11.748 1.00 0.00 WT1 H ATOM 22432 OH2 TIP3 7687 45.334 28.179 4.497 1.00 0.00 WT1 O ATOM 22433 H1 TIP3 7687 44.936 28.924 4.948 1.00 0.00 WT1 H ATOM 22434 H2 TIP3 7687 46.207 28.486 4.251 1.00 0.00 WT1 H ATOM 22435 OH2 TIP3 7688 42.971 47.486 -7.314 1.00 0.00 WT1 O ATOM 22436 H1 TIP3 7688 42.071 47.229 -7.516 1.00 0.00 WT1 H ATOM 22437 H2 TIP3 7688 42.882 48.295 -6.810 1.00 0.00 WT1 H ATOM 22438 OH2 TIP3 7689 35.780 62.130 55.117 1.00 0.00 WT1 O ATOM 22439 H1 TIP3 7689 36.154 62.721 54.464 1.00 0.00 WT1 H ATOM 22440 H2 TIP3 7689 36.184 62.397 55.942 1.00 0.00 WT1 H ATOM 22441 OH2 TIP3 7690 26.871 30.683 63.587 1.00 0.00 WT1 O ATOM 22442 H1 TIP3 7690 26.492 31.558 63.665 1.00 0.00 WT1 H ATOM 22443 H2 TIP3 7690 27.803 30.838 63.430 1.00 0.00 WT1 H ATOM 22444 OH2 TIP3 7691 64.879 15.775 19.610 1.00 0.00 WT1 O ATOM 22445 H1 TIP3 7691 64.824 16.676 19.930 1.00 0.00 WT1 H ATOM 22446 H2 TIP3 7691 65.623 15.780 19.008 1.00 0.00 WT1 H ATOM 22447 OH2 TIP3 7692 73.656 83.906 55.729 1.00 0.00 WT1 O ATOM 22448 H1 TIP3 7692 74.388 83.714 56.316 1.00 0.00 WT1 H ATOM 22449 H2 TIP3 7692 73.763 83.291 55.003 1.00 0.00 WT1 H ATOM 22450 OH2 TIP3 7693 65.399 46.237 25.166 1.00 0.00 WT1 O ATOM 22451 H1 TIP3 7693 65.790 46.499 24.333 1.00 0.00 WT1 H ATOM 22452 H2 TIP3 7693 64.645 46.817 25.271 1.00 0.00 WT1 H ATOM 22453 OH2 TIP3 7694 72.676 15.863 11.317 1.00 0.00 WT1 O ATOM 22454 H1 TIP3 7694 73.442 16.307 11.680 1.00 0.00 WT1 H ATOM 22455 H2 TIP3 7694 72.447 16.375 10.541 1.00 0.00 WT1 H ATOM 22456 OH2 TIP3 7695 38.179 96.499 -19.521 1.00 0.00 WT1 O ATOM 22457 H1 TIP3 7695 38.181 95.558 -19.349 1.00 0.00 WT1 H ATOM 22458 H2 TIP3 7695 37.717 96.879 -18.774 1.00 0.00 WT1 H ATOM 22459 OH2 TIP3 7696 38.251 16.901 40.035 1.00 0.00 WT1 O ATOM 22460 H1 TIP3 7696 39.179 16.904 39.802 1.00 0.00 WT1 H ATOM 22461 H2 TIP3 7696 37.909 17.717 39.670 1.00 0.00 WT1 H ATOM 22462 OH2 TIP3 7697 72.757 62.939 7.201 1.00 0.00 WT1 O ATOM 22463 H1 TIP3 7697 73.070 63.601 7.818 1.00 0.00 WT1 H ATOM 22464 H2 TIP3 7697 72.257 63.433 6.552 1.00 0.00 WT1 H ATOM 22465 OH2 TIP3 7698 42.186 62.271 4.412 1.00 0.00 WT1 O ATOM 22466 H1 TIP3 7698 41.768 61.478 4.747 1.00 0.00 WT1 H ATOM 22467 H2 TIP3 7698 42.161 62.884 5.147 1.00 0.00 WT1 H ATOM 22468 OH2 TIP3 7699 24.198 43.155 7.217 1.00 0.00 WT1 O ATOM 22469 H1 TIP3 7699 24.031 44.078 7.025 1.00 0.00 WT1 H ATOM 22470 H2 TIP3 7699 25.063 42.985 6.844 1.00 0.00 WT1 H ATOM 22471 OH2 TIP3 7700 70.218 1.174 41.551 1.00 0.00 WT1 O ATOM 22472 H1 TIP3 7700 69.698 1.731 40.972 1.00 0.00 WT1 H ATOM 22473 H2 TIP3 7700 70.424 1.733 42.300 1.00 0.00 WT1 H ATOM 22474 OH2 TIP3 7701 77.280 37.411 29.094 1.00 0.00 WT1 O ATOM 22475 H1 TIP3 7701 77.231 37.141 28.177 1.00 0.00 WT1 H ATOM 22476 H2 TIP3 7701 78.163 37.767 29.192 1.00 0.00 WT1 H ATOM 22477 OH2 TIP3 7703 38.087 59.325 40.197 1.00 0.00 WT1 O ATOM 22478 H1 TIP3 7703 38.005 59.919 40.943 1.00 0.00 WT1 H ATOM 22479 H2 TIP3 7703 38.983 59.455 39.885 1.00 0.00 WT1 H ATOM 22480 OH2 TIP3 7704 34.238 80.288 37.137 1.00 0.00 WT1 O ATOM 22481 H1 TIP3 7704 33.501 80.223 36.529 1.00 0.00 WT1 H ATOM 22482 H2 TIP3 7704 33.846 80.177 38.003 1.00 0.00 WT1 H ATOM 22483 OH2 TIP3 7705 70.915 11.042 -13.218 1.00 0.00 WT1 O ATOM 22484 H1 TIP3 7705 70.826 11.990 -13.311 1.00 0.00 WT1 H ATOM 22485 H2 TIP3 7705 71.096 10.909 -12.288 1.00 0.00 WT1 H ATOM 22486 OH2 TIP3 7706 56.235 22.200 35.284 1.00 0.00 WT1 O ATOM 22487 H1 TIP3 7706 56.566 21.811 34.475 1.00 0.00 WT1 H ATOM 22488 H2 TIP3 7706 55.421 21.729 35.462 1.00 0.00 WT1 H ATOM 22489 OH2 TIP3 7707 79.917 13.071 -12.075 1.00 0.00 WT1 O ATOM 22490 H1 TIP3 7707 79.015 13.377 -11.977 1.00 0.00 WT1 H ATOM 22491 H2 TIP3 7707 79.887 12.149 -11.819 1.00 0.00 WT1 H ATOM 22492 OH2 TIP3 7708 52.746 89.317 5.428 1.00 0.00 WT1 O ATOM 22493 H1 TIP3 7708 52.932 88.571 5.999 1.00 0.00 WT1 H ATOM 22494 H2 TIP3 7708 53.270 90.032 5.789 1.00 0.00 WT1 H ATOM 22495 OH2 TIP3 7709 45.816 13.416 15.642 1.00 0.00 WT1 O ATOM 22496 H1 TIP3 7709 45.509 14.246 16.007 1.00 0.00 WT1 H ATOM 22497 H2 TIP3 7709 46.761 13.531 15.546 1.00 0.00 WT1 H ATOM 22498 OH2 TIP3 7710 35.360 95.804 23.979 1.00 0.00 WT1 O ATOM 22499 H1 TIP3 7710 34.477 95.813 24.348 1.00 0.00 WT1 H ATOM 22500 H2 TIP3 7710 35.800 96.547 24.391 1.00 0.00 WT1 H ATOM 22501 OH2 TIP3 7711 29.437 72.837 45.713 1.00 0.00 WT1 O ATOM 22502 H1 TIP3 7711 28.739 73.074 45.102 1.00 0.00 WT1 H ATOM 22503 H2 TIP3 7711 30.188 72.637 45.154 1.00 0.00 WT1 H ATOM 22504 OH2 TIP3 7712 73.025 21.458 60.625 1.00 0.00 WT1 O ATOM 22505 H1 TIP3 7712 72.608 21.695 61.453 1.00 0.00 WT1 H ATOM 22506 H2 TIP3 7712 73.908 21.183 60.870 1.00 0.00 WT1 H ATOM 22507 OH2 TIP3 7713 79.432 64.991 46.250 1.00 0.00 WT1 O ATOM 22508 H1 TIP3 7713 79.993 64.326 45.853 1.00 0.00 WT1 H ATOM 22509 H2 TIP3 7713 79.197 64.630 47.104 1.00 0.00 WT1 H ATOM 22510 OH2 TIP3 7714 51.832 5.521 9.043 1.00 0.00 WT1 O ATOM 22511 H1 TIP3 7714 52.560 5.990 9.451 1.00 0.00 WT1 H ATOM 22512 H2 TIP3 7714 51.536 4.906 9.715 1.00 0.00 WT1 H ATOM 22513 OH2 TIP3 7715 75.730 6.689 0.407 1.00 0.00 WT1 O ATOM 22514 H1 TIP3 7715 75.827 7.111 1.260 1.00 0.00 WT1 H ATOM 22515 H2 TIP3 7715 74.786 6.575 0.301 1.00 0.00 WT1 H ATOM 22516 OH2 TIP3 7716 73.141 89.912 35.786 1.00 0.00 WT1 O ATOM 22517 H1 TIP3 7716 72.370 90.179 35.285 1.00 0.00 WT1 H ATOM 22518 H2 TIP3 7716 72.894 90.053 36.700 1.00 0.00 WT1 H ATOM 22519 OH2 TIP3 7717 76.820 40.912 31.230 1.00 0.00 WT1 O ATOM 22520 H1 TIP3 7717 76.105 41.516 31.433 1.00 0.00 WT1 H ATOM 22521 H2 TIP3 7717 76.959 41.013 30.289 1.00 0.00 WT1 H ATOM 22522 OH2 TIP3 7718 28.693 16.840 -19.356 1.00 0.00 WT1 O ATOM 22523 H1 TIP3 7718 28.498 16.011 -18.919 1.00 0.00 WT1 H ATOM 22524 H2 TIP3 7718 28.755 17.478 -18.645 1.00 0.00 WT1 H ATOM 22525 OH2 TIP3 7719 85.592 83.544 6.849 1.00 0.00 WT1 O ATOM 22526 H1 TIP3 7719 85.102 84.018 6.177 1.00 0.00 WT1 H ATOM 22527 H2 TIP3 7719 84.941 82.982 7.270 1.00 0.00 WT1 H ATOM 22528 OH2 TIP3 7720 85.605 34.634 46.551 1.00 0.00 WT1 O ATOM 22529 H1 TIP3 7720 86.304 35.279 46.659 1.00 0.00 WT1 H ATOM 22530 H2 TIP3 7720 84.852 35.143 46.252 1.00 0.00 WT1 H ATOM 22531 OH2 TIP3 7721 67.043 43.588 13.060 1.00 0.00 WT1 O ATOM 22532 H1 TIP3 7721 66.676 43.802 13.917 1.00 0.00 WT1 H ATOM 22533 H2 TIP3 7721 66.709 42.712 12.867 1.00 0.00 WT1 H ATOM 22534 OH2 TIP3 7722 41.423 9.448 64.017 1.00 0.00 WT1 O ATOM 22535 H1 TIP3 7722 42.270 9.516 63.575 1.00 0.00 WT1 H ATOM 22536 H2 TIP3 7722 41.379 8.539 64.313 1.00 0.00 WT1 H ATOM 22537 OH2 TIP3 7723 38.344 8.681 -17.530 1.00 0.00 WT1 O ATOM 22538 H1 TIP3 7723 37.540 8.946 -17.976 1.00 0.00 WT1 H ATOM 22539 H2 TIP3 7723 38.436 7.750 -17.732 1.00 0.00 WT1 H ATOM 22540 OH2 TIP3 7724 22.360 66.968 14.420 1.00 0.00 WT1 O ATOM 22541 H1 TIP3 7724 22.666 66.789 13.531 1.00 0.00 WT1 H ATOM 22542 H2 TIP3 7724 23.140 66.867 14.966 1.00 0.00 WT1 H ATOM 22543 OH2 TIP3 7725 77.694 52.640 10.979 1.00 0.00 WT1 O ATOM 22544 H1 TIP3 7725 78.008 52.781 11.873 1.00 0.00 WT1 H ATOM 22545 H2 TIP3 7725 76.758 52.841 11.020 1.00 0.00 WT1 H ATOM 22546 OH2 TIP3 7726 74.167 68.530 50.835 1.00 0.00 WT1 O ATOM 22547 H1 TIP3 7726 73.310 68.795 51.169 1.00 0.00 WT1 H ATOM 22548 H2 TIP3 7726 74.645 68.233 51.610 1.00 0.00 WT1 H ATOM 22549 OH2 TIP3 7727 66.732 54.079 33.700 1.00 0.00 WT1 O ATOM 22550 H1 TIP3 7727 66.755 54.556 32.870 1.00 0.00 WT1 H ATOM 22551 H2 TIP3 7727 66.427 53.203 33.465 1.00 0.00 WT1 H ATOM 22552 OH2 TIP3 7728 73.590 54.387 28.469 1.00 0.00 WT1 O ATOM 22553 H1 TIP3 7728 72.817 53.887 28.205 1.00 0.00 WT1 H ATOM 22554 H2 TIP3 7728 74.321 53.945 28.038 1.00 0.00 WT1 H ATOM 22555 OH2 TIP3 7729 54.649 9.657 67.328 1.00 0.00 WT1 O ATOM 22556 H1 TIP3 7729 55.023 9.236 66.554 1.00 0.00 WT1 H ATOM 22557 H2 TIP3 7729 54.367 8.930 67.883 1.00 0.00 WT1 H ATOM 22558 OH2 TIP3 7730 57.328 35.837 54.938 1.00 0.00 WT1 O ATOM 22559 H1 TIP3 7730 57.471 35.893 53.993 1.00 0.00 WT1 H ATOM 22560 H2 TIP3 7730 57.171 36.741 55.211 1.00 0.00 WT1 H ATOM 22561 OH2 TIP3 7731 22.908 69.560 33.180 1.00 0.00 WT1 O ATOM 22562 H1 TIP3 7731 23.292 69.517 32.304 1.00 0.00 WT1 H ATOM 22563 H2 TIP3 7731 22.291 68.829 33.208 1.00 0.00 WT1 H ATOM 22564 OH2 TIP3 7732 71.489 24.186 60.678 1.00 0.00 WT1 O ATOM 22565 H1 TIP3 7732 71.859 23.527 60.091 1.00 0.00 WT1 H ATOM 22566 H2 TIP3 7732 70.586 24.293 60.379 1.00 0.00 WT1 H ATOM 22567 OH2 TIP3 7733 64.851 86.427 2.187 1.00 0.00 WT1 O ATOM 22568 H1 TIP3 7733 65.622 86.054 2.616 1.00 0.00 WT1 H ATOM 22569 H2 TIP3 7733 64.317 85.669 1.952 1.00 0.00 WT1 H ATOM 22570 OH2 TIP3 7734 20.388 32.698 18.518 1.00 0.00 WT1 O ATOM 22571 H1 TIP3 7734 20.702 32.095 17.844 1.00 0.00 WT1 H ATOM 22572 H2 TIP3 7734 19.701 32.211 18.974 1.00 0.00 WT1 H ATOM 22573 OH2 TIP3 7735 66.288 92.520 52.523 1.00 0.00 WT1 O ATOM 22574 H1 TIP3 7735 65.458 92.883 52.832 1.00 0.00 WT1 H ATOM 22575 H2 TIP3 7735 66.493 91.825 53.148 1.00 0.00 WT1 H ATOM 22576 OH2 TIP3 7736 32.688 43.948 -7.856 1.00 0.00 WT1 O ATOM 22577 H1 TIP3 7736 31.768 44.025 -7.604 1.00 0.00 WT1 H ATOM 22578 H2 TIP3 7736 33.140 44.597 -7.317 1.00 0.00 WT1 H ATOM 22579 OH2 TIP3 7737 68.837 34.948 -12.840 1.00 0.00 WT1 O ATOM 22580 H1 TIP3 7737 69.719 35.051 -13.195 1.00 0.00 WT1 H ATOM 22581 H2 TIP3 7737 68.796 35.569 -12.112 1.00 0.00 WT1 H ATOM 22582 OH2 TIP3 7738 61.189 90.357 47.288 1.00 0.00 WT1 O ATOM 22583 H1 TIP3 7738 60.374 90.810 47.069 1.00 0.00 WT1 H ATOM 22584 H2 TIP3 7738 60.931 89.698 47.933 1.00 0.00 WT1 H ATOM 22585 OH2 TIP3 7739 38.043 15.697 -0.811 1.00 0.00 WT1 O ATOM 22586 H1 TIP3 7739 37.112 15.723 -1.033 1.00 0.00 WT1 H ATOM 22587 H2 TIP3 7739 38.198 16.508 -0.327 1.00 0.00 WT1 H ATOM 22588 OH2 TIP3 7740 48.873 47.884 9.663 1.00 0.00 WT1 O ATOM 22589 H1 TIP3 7740 49.419 47.226 9.235 1.00 0.00 WT1 H ATOM 22590 H2 TIP3 7740 49.360 48.124 10.452 1.00 0.00 WT1 H ATOM 22591 OH2 TIP3 7741 87.735 31.029 3.549 1.00 0.00 WT1 O ATOM 22592 H1 TIP3 7741 88.017 30.356 4.168 1.00 0.00 WT1 H ATOM 22593 H2 TIP3 7741 88.035 30.713 2.697 1.00 0.00 WT1 H ATOM 22594 OH2 TIP3 7742 83.419 93.478 41.796 1.00 0.00 WT1 O ATOM 22595 H1 TIP3 7742 83.906 92.886 42.370 1.00 0.00 WT1 H ATOM 22596 H2 TIP3 7742 82.973 92.899 41.178 1.00 0.00 WT1 H ATOM 22597 OH2 TIP3 7743 73.954 3.454 -4.830 1.00 0.00 WT1 O ATOM 22598 H1 TIP3 7743 73.374 3.547 -5.585 1.00 0.00 WT1 H ATOM 22599 H2 TIP3 7743 74.571 4.182 -4.910 1.00 0.00 WT1 H ATOM 22600 OH2 TIP3 7744 61.231 26.479 19.683 1.00 0.00 WT1 O ATOM 22601 H1 TIP3 7744 60.831 26.737 20.513 1.00 0.00 WT1 H ATOM 22602 H2 TIP3 7744 60.546 25.990 19.228 1.00 0.00 WT1 H ATOM 22603 OH2 TIP3 7745 68.964 26.169 52.518 1.00 0.00 WT1 O ATOM 22604 H1 TIP3 7745 68.599 26.091 51.637 1.00 0.00 WT1 H ATOM 22605 H2 TIP3 7745 68.339 26.719 52.990 1.00 0.00 WT1 H ATOM 22606 OH2 TIP3 7746 72.140 23.937 1.269 1.00 0.00 WT1 O ATOM 22607 H1 TIP3 7746 71.752 24.637 0.743 1.00 0.00 WT1 H ATOM 22608 H2 TIP3 7746 73.011 24.263 1.496 1.00 0.00 WT1 H ATOM 22609 OH2 TIP3 7747 84.294 52.856 13.078 1.00 0.00 WT1 O ATOM 22610 H1 TIP3 7747 83.878 53.702 12.912 1.00 0.00 WT1 H ATOM 22611 H2 TIP3 7747 84.893 52.734 12.340 1.00 0.00 WT1 H ATOM 22612 OH2 TIP3 7748 43.314 24.969 46.703 1.00 0.00 WT1 O ATOM 22613 H1 TIP3 7748 44.103 24.502 46.428 1.00 0.00 WT1 H ATOM 22614 H2 TIP3 7748 43.390 25.831 46.295 1.00 0.00 WT1 H ATOM 22615 OH2 TIP3 7750 62.134 16.581 50.880 1.00 0.00 WT1 O ATOM 22616 H1 TIP3 7750 62.192 17.380 51.404 1.00 0.00 WT1 H ATOM 22617 H2 TIP3 7750 62.433 16.843 50.009 1.00 0.00 WT1 H ATOM 22618 OH2 TIP3 7751 36.485 45.376 2.648 1.00 0.00 WT1 O ATOM 22619 H1 TIP3 7751 36.244 45.801 1.825 1.00 0.00 WT1 H ATOM 22620 H2 TIP3 7751 36.918 44.565 2.382 1.00 0.00 WT1 H ATOM 22621 OH2 TIP3 7752 23.270 48.674 9.776 1.00 0.00 WT1 O ATOM 22622 H1 TIP3 7752 23.609 47.833 10.081 1.00 0.00 WT1 H ATOM 22623 H2 TIP3 7752 23.698 48.813 8.931 1.00 0.00 WT1 H ATOM 22624 OH2 TIP3 7753 85.704 51.333 44.266 1.00 0.00 WT1 O ATOM 22625 H1 TIP3 7753 86.129 52.003 44.802 1.00 0.00 WT1 H ATOM 22626 H2 TIP3 7753 85.827 50.520 44.755 1.00 0.00 WT1 H ATOM 22627 OH2 TIP3 7754 89.565 40.749 24.531 1.00 0.00 WT1 O ATOM 22628 H1 TIP3 7754 89.737 41.599 24.125 1.00 0.00 WT1 H ATOM 22629 H2 TIP3 7754 88.646 40.791 24.795 1.00 0.00 WT1 H ATOM 22630 OH2 TIP3 7755 53.785 83.366 54.378 1.00 0.00 WT1 O ATOM 22631 H1 TIP3 7755 53.144 83.021 53.756 1.00 0.00 WT1 H ATOM 22632 H2 TIP3 7755 53.406 83.186 55.238 1.00 0.00 WT1 H ATOM 22633 OH2 TIP3 7757 85.616 95.714 51.357 1.00 0.00 WT1 O ATOM 22634 H1 TIP3 7757 84.922 96.289 51.678 1.00 0.00 WT1 H ATOM 22635 H2 TIP3 7757 85.818 95.144 52.099 1.00 0.00 WT1 H ATOM 22636 OH2 TIP3 7758 67.097 49.164 3.459 1.00 0.00 WT1 O ATOM 22637 H1 TIP3 7758 66.338 48.580 3.478 1.00 0.00 WT1 H ATOM 22638 H2 TIP3 7758 66.834 49.915 3.992 1.00 0.00 WT1 H ATOM 22639 OH2 TIP3 7759 68.484 85.891 5.080 1.00 0.00 WT1 O ATOM 22640 H1 TIP3 7759 67.889 86.004 5.821 1.00 0.00 WT1 H ATOM 22641 H2 TIP3 7759 67.953 85.464 4.408 1.00 0.00 WT1 H ATOM 22642 OH2 TIP3 7760 62.329 5.217 -17.029 1.00 0.00 WT1 O ATOM 22643 H1 TIP3 7760 62.941 4.719 -17.570 1.00 0.00 WT1 H ATOM 22644 H2 TIP3 7760 62.689 5.158 -16.144 1.00 0.00 WT1 H ATOM 22645 OH2 TIP3 7761 31.890 30.838 52.762 1.00 0.00 WT1 O ATOM 22646 H1 TIP3 7761 31.224 31.478 52.510 1.00 0.00 WT1 H ATOM 22647 H2 TIP3 7761 31.394 30.050 52.982 1.00 0.00 WT1 H ATOM 22648 OH2 TIP3 7763 39.892 41.737 12.283 1.00 0.00 WT1 O ATOM 22649 H1 TIP3 7763 40.426 41.944 13.050 1.00 0.00 WT1 H ATOM 22650 H2 TIP3 7763 40.092 42.432 11.656 1.00 0.00 WT1 H ATOM 22651 OH2 TIP3 7764 48.969 33.937 38.595 1.00 0.00 WT1 O ATOM 22652 H1 TIP3 7764 49.488 34.356 37.909 1.00 0.00 WT1 H ATOM 22653 H2 TIP3 7764 49.618 33.565 39.193 1.00 0.00 WT1 H ATOM 22654 OH2 TIP3 7765 81.377 89.570 30.173 1.00 0.00 WT1 O ATOM 22655 H1 TIP3 7765 80.943 89.365 29.344 1.00 0.00 WT1 H ATOM 22656 H2 TIP3 7765 81.432 90.525 30.185 1.00 0.00 WT1 H ATOM 22657 OH2 TIP3 7767 26.020 62.172 31.865 1.00 0.00 WT1 O ATOM 22658 H1 TIP3 7767 26.636 61.660 31.341 1.00 0.00 WT1 H ATOM 22659 H2 TIP3 7767 26.265 63.083 31.701 1.00 0.00 WT1 H ATOM 22660 OH2 TIP3 7768 25.726 82.431 58.692 1.00 0.00 WT1 O ATOM 22661 H1 TIP3 7768 26.656 82.228 58.589 1.00 0.00 WT1 H ATOM 22662 H2 TIP3 7768 25.519 82.993 57.946 1.00 0.00 WT1 H ATOM 22663 OH2 TIP3 7769 57.907 24.827 9.685 1.00 0.00 WT1 O ATOM 22664 H1 TIP3 7769 58.459 25.555 9.971 1.00 0.00 WT1 H ATOM 22665 H2 TIP3 7769 57.050 25.009 10.073 1.00 0.00 WT1 H ATOM 22666 OH2 TIP3 7770 28.843 38.682 52.480 1.00 0.00 WT1 O ATOM 22667 H1 TIP3 7770 29.652 38.315 52.125 1.00 0.00 WT1 H ATOM 22668 H2 TIP3 7770 28.358 38.982 51.712 1.00 0.00 WT1 H ATOM 22669 OH2 TIP3 7771 42.363 43.964 -8.011 1.00 0.00 WT1 O ATOM 22670 H1 TIP3 7771 41.427 43.969 -8.210 1.00 0.00 WT1 H ATOM 22671 H2 TIP3 7771 42.407 44.097 -7.064 1.00 0.00 WT1 H ATOM 22672 OH2 TIP3 7772 59.222 32.642 29.799 1.00 0.00 WT1 O ATOM 22673 H1 TIP3 7772 58.473 32.089 30.022 1.00 0.00 WT1 H ATOM 22674 H2 TIP3 7772 58.972 33.064 28.977 1.00 0.00 WT1 H ATOM 22675 OH2 TIP3 7773 40.350 88.059 38.700 1.00 0.00 WT1 O ATOM 22676 H1 TIP3 7773 41.172 88.536 38.813 1.00 0.00 WT1 H ATOM 22677 H2 TIP3 7773 40.295 87.488 39.466 1.00 0.00 WT1 H ATOM 22678 OH2 TIP3 7774 28.648 64.012 -15.291 1.00 0.00 WT1 O ATOM 22679 H1 TIP3 7774 28.858 63.096 -15.474 1.00 0.00 WT1 H ATOM 22680 H2 TIP3 7774 29.146 64.219 -14.500 1.00 0.00 WT1 H ATOM 22681 OH2 TIP3 7775 81.655 55.898 40.580 1.00 0.00 WT1 O ATOM 22682 H1 TIP3 7775 81.601 55.169 41.199 1.00 0.00 WT1 H ATOM 22683 H2 TIP3 7775 80.758 56.226 40.517 1.00 0.00 WT1 H ATOM 22684 OH2 TIP3 7776 70.754 17.450 -3.599 1.00 0.00 WT1 O ATOM 22685 H1 TIP3 7776 70.107 17.723 -2.949 1.00 0.00 WT1 H ATOM 22686 H2 TIP3 7776 71.207 18.257 -3.841 1.00 0.00 WT1 H ATOM 22687 OH2 TIP3 7777 62.677 53.173 -14.487 1.00 0.00 WT1 O ATOM 22688 H1 TIP3 7777 63.571 52.962 -14.758 1.00 0.00 WT1 H ATOM 22689 H2 TIP3 7777 62.504 52.584 -13.752 1.00 0.00 WT1 H ATOM 22690 OH2 TIP3 7778 75.723 27.802 5.926 1.00 0.00 WT1 O ATOM 22691 H1 TIP3 7778 76.245 28.604 5.927 1.00 0.00 WT1 H ATOM 22692 H2 TIP3 7778 75.077 27.934 6.620 1.00 0.00 WT1 H ATOM 22693 OH2 TIP3 7779 74.653 78.627 31.960 1.00 0.00 WT1 O ATOM 22694 H1 TIP3 7779 74.388 79.538 31.838 1.00 0.00 WT1 H ATOM 22695 H2 TIP3 7779 75.287 78.656 32.677 1.00 0.00 WT1 H ATOM 22696 OH2 TIP3 7780 43.646 6.091 5.562 1.00 0.00 WT1 O ATOM 22697 H1 TIP3 7780 44.420 5.974 6.114 1.00 0.00 WT1 H ATOM 22698 H2 TIP3 7780 43.187 5.253 5.612 1.00 0.00 WT1 H ATOM 22699 OH2 TIP3 7781 41.335 20.868 -0.374 1.00 0.00 WT1 O ATOM 22700 H1 TIP3 7781 41.020 20.611 0.492 1.00 0.00 WT1 H ATOM 22701 H2 TIP3 7781 42.100 21.416 -0.199 1.00 0.00 WT1 H ATOM 22702 OH2 TIP3 7782 67.466 86.680 30.457 1.00 0.00 WT1 O ATOM 22703 H1 TIP3 7782 67.749 87.269 31.156 1.00 0.00 WT1 H ATOM 22704 H2 TIP3 7782 67.635 87.167 29.650 1.00 0.00 WT1 H ATOM 22705 OH2 TIP3 7783 72.360 35.830 -6.073 1.00 0.00 WT1 O ATOM 22706 H1 TIP3 7783 71.551 36.246 -6.370 1.00 0.00 WT1 H ATOM 22707 H2 TIP3 7783 72.434 35.040 -6.608 1.00 0.00 WT1 H ATOM 22708 OH2 TIP3 7784 38.567 6.322 61.651 1.00 0.00 WT1 O ATOM 22709 H1 TIP3 7784 37.786 6.691 62.064 1.00 0.00 WT1 H ATOM 22710 H2 TIP3 7784 39.174 6.174 62.376 1.00 0.00 WT1 H ATOM 22711 OH2 TIP3 7785 63.743 16.100 36.984 1.00 0.00 WT1 O ATOM 22712 H1 TIP3 7785 64.146 16.953 37.148 1.00 0.00 WT1 H ATOM 22713 H2 TIP3 7785 63.521 16.115 36.053 1.00 0.00 WT1 H ATOM 22714 OH2 TIP3 7787 54.465 21.898 50.715 1.00 0.00 WT1 O ATOM 22715 H1 TIP3 7787 53.623 21.983 51.161 1.00 0.00 WT1 H ATOM 22716 H2 TIP3 7787 54.243 21.575 49.842 1.00 0.00 WT1 H ATOM 22717 OH2 TIP3 7788 85.078 4.181 -19.435 1.00 0.00 WT1 O ATOM 22718 H1 TIP3 7788 85.462 4.868 -19.980 1.00 0.00 WT1 H ATOM 22719 H2 TIP3 7788 85.790 3.555 -19.301 1.00 0.00 WT1 H ATOM 22720 OH2 TIP3 7789 73.431 68.326 15.655 1.00 0.00 WT1 O ATOM 22721 H1 TIP3 7789 72.478 68.241 15.659 1.00 0.00 WT1 H ATOM 22722 H2 TIP3 7789 73.591 69.245 15.866 1.00 0.00 WT1 H ATOM 22723 OH2 TIP3 7790 48.337 54.881 47.466 1.00 0.00 WT1 O ATOM 22724 H1 TIP3 7790 47.456 55.174 47.233 1.00 0.00 WT1 H ATOM 22725 H2 TIP3 7790 48.871 55.093 46.701 1.00 0.00 WT1 H ATOM 22726 OH2 TIP3 7791 27.318 65.756 55.620 1.00 0.00 WT1 O ATOM 22727 H1 TIP3 7791 27.639 64.931 55.986 1.00 0.00 WT1 H ATOM 22728 H2 TIP3 7791 28.106 66.285 55.495 1.00 0.00 WT1 H ATOM 22729 OH2 TIP3 7792 60.325 6.957 39.067 1.00 0.00 WT1 O ATOM 22730 H1 TIP3 7792 59.526 7.238 38.622 1.00 0.00 WT1 H ATOM 22731 H2 TIP3 7792 60.044 6.240 39.636 1.00 0.00 WT1 H ATOM 22732 OH2 TIP3 7793 35.431 65.261 0.536 1.00 0.00 WT1 O ATOM 22733 H1 TIP3 7793 35.077 66.149 0.586 1.00 0.00 WT1 H ATOM 22734 H2 TIP3 7793 35.340 64.916 1.425 1.00 0.00 WT1 H ATOM 22735 OH2 TIP3 7794 61.574 38.691 34.841 1.00 0.00 WT1 O ATOM 22736 H1 TIP3 7794 61.406 39.071 33.978 1.00 0.00 WT1 H ATOM 22737 H2 TIP3 7794 61.288 37.781 34.762 1.00 0.00 WT1 H ATOM 22738 OH2 TIP3 7796 20.885 15.947 49.397 1.00 0.00 WT1 O ATOM 22739 H1 TIP3 7796 21.793 15.867 49.686 1.00 0.00 WT1 H ATOM 22740 H2 TIP3 7796 20.740 16.890 49.319 1.00 0.00 WT1 H ATOM 22741 OH2 TIP3 7797 40.837 92.646 -4.770 1.00 0.00 WT1 O ATOM 22742 H1 TIP3 7797 40.629 92.138 -3.986 1.00 0.00 WT1 H ATOM 22743 H2 TIP3 7797 40.659 92.049 -5.497 1.00 0.00 WT1 H ATOM 22744 OH2 TIP3 7798 77.075 71.383 24.379 1.00 0.00 WT1 O ATOM 22745 H1 TIP3 7798 76.367 71.369 23.735 1.00 0.00 WT1 H ATOM 22746 H2 TIP3 7798 76.665 71.089 25.193 1.00 0.00 WT1 H ATOM 22747 OH2 TIP3 7799 48.423 47.461 65.248 1.00 0.00 WT1 O ATOM 22748 H1 TIP3 7799 48.442 46.669 64.712 1.00 0.00 WT1 H ATOM 22749 H2 TIP3 7799 48.308 47.142 66.144 1.00 0.00 WT1 H ATOM 22750 OH2 TIP3 7800 66.238 63.590 23.842 1.00 0.00 WT1 O ATOM 22751 H1 TIP3 7800 65.615 63.158 24.425 1.00 0.00 WT1 H ATOM 22752 H2 TIP3 7800 65.764 63.692 23.017 1.00 0.00 WT1 H ATOM 22753 OH2 TIP3 7801 67.922 64.036 36.790 1.00 0.00 WT1 O ATOM 22754 H1 TIP3 7801 67.611 64.940 36.821 1.00 0.00 WT1 H ATOM 22755 H2 TIP3 7801 67.321 63.595 36.189 1.00 0.00 WT1 H ATOM 22756 OH2 TIP3 7803 68.835 9.986 -9.852 1.00 0.00 WT1 O ATOM 22757 H1 TIP3 7803 69.286 9.844 -9.020 1.00 0.00 WT1 H ATOM 22758 H2 TIP3 7803 69.310 10.709 -10.262 1.00 0.00 WT1 H ATOM 22759 OH2 TIP3 7804 59.468 85.404 12.722 1.00 0.00 WT1 O ATOM 22760 H1 TIP3 7804 58.562 85.577 12.979 1.00 0.00 WT1 H ATOM 22761 H2 TIP3 7804 59.458 84.501 12.405 1.00 0.00 WT1 H ATOM 22762 OH2 TIP3 7805 27.904 85.348 48.307 1.00 0.00 WT1 O ATOM 22763 H1 TIP3 7805 27.108 84.848 48.487 1.00 0.00 WT1 H ATOM 22764 H2 TIP3 7805 28.275 84.935 47.527 1.00 0.00 WT1 H ATOM 22765 OH2 TIP3 7807 35.966 8.410 7.231 1.00 0.00 WT1 O ATOM 22766 H1 TIP3 7807 35.966 8.292 8.181 1.00 0.00 WT1 H ATOM 22767 H2 TIP3 7807 35.477 7.659 6.896 1.00 0.00 WT1 H ATOM 22768 OH2 TIP3 7808 49.900 32.357 12.811 1.00 0.00 WT1 O ATOM 22769 H1 TIP3 7808 49.311 31.903 13.415 1.00 0.00 WT1 H ATOM 22770 H2 TIP3 7808 49.845 31.854 11.999 1.00 0.00 WT1 H ATOM 22771 OH2 TIP3 7809 68.986 28.588 22.626 1.00 0.00 WT1 O ATOM 22772 H1 TIP3 7809 68.510 29.201 22.065 1.00 0.00 WT1 H ATOM 22773 H2 TIP3 7809 69.559 28.110 22.027 1.00 0.00 WT1 H ATOM 22774 OH2 TIP3 7810 71.222 92.283 16.905 1.00 0.00 WT1 O ATOM 22775 H1 TIP3 7810 71.726 93.044 16.619 1.00 0.00 WT1 H ATOM 22776 H2 TIP3 7810 71.837 91.771 17.430 1.00 0.00 WT1 H ATOM 22777 OH2 TIP3 7811 33.901 26.827 -18.799 1.00 0.00 WT1 O ATOM 22778 H1 TIP3 7811 33.402 27.644 -18.828 1.00 0.00 WT1 H ATOM 22779 H2 TIP3 7811 34.810 27.105 -18.685 1.00 0.00 WT1 H ATOM 22780 OH2 TIP3 7812 43.986 63.155 65.875 1.00 0.00 WT1 O ATOM 22781 H1 TIP3 7812 44.869 62.849 65.668 1.00 0.00 WT1 H ATOM 22782 H2 TIP3 7812 44.031 64.106 65.773 1.00 0.00 WT1 H ATOM 22783 OH2 TIP3 7813 78.404 45.084 3.686 1.00 0.00 WT1 O ATOM 22784 H1 TIP3 7813 79.109 45.692 3.461 1.00 0.00 WT1 H ATOM 22785 H2 TIP3 7813 78.641 44.750 4.551 1.00 0.00 WT1 H ATOM 22786 OH2 TIP3 7814 43.129 29.731 60.906 1.00 0.00 WT1 O ATOM 22787 H1 TIP3 7814 42.566 29.895 60.149 1.00 0.00 WT1 H ATOM 22788 H2 TIP3 7814 43.327 30.602 61.250 1.00 0.00 WT1 H ATOM 22789 OH2 TIP3 7815 78.887 1.548 -17.428 1.00 0.00 WT1 O ATOM 22790 H1 TIP3 7815 78.022 1.138 -17.448 1.00 0.00 WT1 H ATOM 22791 H2 TIP3 7815 79.501 0.815 -17.472 1.00 0.00 WT1 H ATOM 22792 OH2 TIP3 7816 37.926 18.523 0.506 1.00 0.00 WT1 O ATOM 22793 H1 TIP3 7816 37.372 18.892 -0.182 1.00 0.00 WT1 H ATOM 22794 H2 TIP3 7816 38.270 19.285 0.971 1.00 0.00 WT1 H ATOM 22795 OH2 TIP3 7817 85.472 44.868 26.086 1.00 0.00 WT1 O ATOM 22796 H1 TIP3 7817 85.612 45.813 26.159 1.00 0.00 WT1 H ATOM 22797 H2 TIP3 7817 84.538 44.750 26.260 1.00 0.00 WT1 H ATOM 22798 OH2 TIP3 7818 44.554 64.729 -16.140 1.00 0.00 WT1 O ATOM 22799 H1 TIP3 7818 43.743 65.209 -15.972 1.00 0.00 WT1 H ATOM 22800 H2 TIP3 7818 44.496 64.474 -17.061 1.00 0.00 WT1 H ATOM 22801 OH2 TIP3 7819 34.245 23.693 53.870 1.00 0.00 WT1 O ATOM 22802 H1 TIP3 7819 34.526 24.543 54.207 1.00 0.00 WT1 H ATOM 22803 H2 TIP3 7819 33.401 23.535 54.292 1.00 0.00 WT1 H ATOM 22804 OH2 TIP3 7820 45.846 75.243 -8.492 1.00 0.00 WT1 O ATOM 22805 H1 TIP3 7820 45.148 74.855 -7.965 1.00 0.00 WT1 H ATOM 22806 H2 TIP3 7820 45.659 74.957 -9.386 1.00 0.00 WT1 H ATOM 22807 OH2 TIP3 7821 30.181 46.341 10.323 1.00 0.00 WT1 O ATOM 22808 H1 TIP3 7821 30.093 46.630 9.415 1.00 0.00 WT1 H ATOM 22809 H2 TIP3 7821 29.849 47.073 10.842 1.00 0.00 WT1 H ATOM 22810 OH2 TIP3 7822 74.498 34.218 38.834 1.00 0.00 WT1 O ATOM 22811 H1 TIP3 7822 73.550 34.093 38.885 1.00 0.00 WT1 H ATOM 22812 H2 TIP3 7822 74.617 35.167 38.868 1.00 0.00 WT1 H ATOM 22813 OH2 TIP3 7823 81.954 63.362 26.514 1.00 0.00 WT1 O ATOM 22814 H1 TIP3 7823 81.787 62.971 27.372 1.00 0.00 WT1 H ATOM 22815 H2 TIP3 7823 81.438 62.835 25.905 1.00 0.00 WT1 H ATOM 22816 OH2 TIP3 7824 76.134 14.129 -0.207 1.00 0.00 WT1 O ATOM 22817 H1 TIP3 7824 75.221 14.407 -0.139 1.00 0.00 WT1 H ATOM 22818 H2 TIP3 7824 76.366 13.850 0.679 1.00 0.00 WT1 H ATOM 22819 OH2 TIP3 7825 81.688 48.156 -11.110 1.00 0.00 WT1 O ATOM 22820 H1 TIP3 7825 80.980 48.628 -10.672 1.00 0.00 WT1 H ATOM 22821 H2 TIP3 7825 82.489 48.536 -10.749 1.00 0.00 WT1 H ATOM 22822 OH2 TIP3 7826 36.430 57.419 13.003 1.00 0.00 WT1 O ATOM 22823 H1 TIP3 7826 37.345 57.540 13.254 1.00 0.00 WT1 H ATOM 22824 H2 TIP3 7826 36.051 58.297 13.048 1.00 0.00 WT1 H ATOM 22825 OH2 TIP3 7827 23.677 6.751 57.459 1.00 0.00 WT1 O ATOM 22826 H1 TIP3 7827 24.615 6.619 57.598 1.00 0.00 WT1 H ATOM 22827 H2 TIP3 7827 23.623 7.529 56.905 1.00 0.00 WT1 H ATOM 22828 OH2 TIP3 7828 84.845 70.349 55.004 1.00 0.00 WT1 O ATOM 22829 H1 TIP3 7828 85.439 70.496 55.740 1.00 0.00 WT1 H ATOM 22830 H2 TIP3 7828 85.238 69.623 54.519 1.00 0.00 WT1 H ATOM 22831 OH2 TIP3 7829 75.955 47.007 36.039 1.00 0.00 WT1 O ATOM 22832 H1 TIP3 7829 76.442 46.876 36.853 1.00 0.00 WT1 H ATOM 22833 H2 TIP3 7829 75.270 47.635 36.268 1.00 0.00 WT1 H ATOM 22834 OH2 TIP3 7830 40.125 36.396 29.857 1.00 0.00 WT1 O ATOM 22835 H1 TIP3 7830 40.849 35.937 30.283 1.00 0.00 WT1 H ATOM 22836 H2 TIP3 7830 40.434 37.297 29.762 1.00 0.00 WT1 H ATOM 22837 OH2 TIP3 7831 53.457 46.755 18.710 1.00 0.00 WT1 O ATOM 22838 H1 TIP3 7831 53.268 47.670 18.498 1.00 0.00 WT1 H ATOM 22839 H2 TIP3 7831 52.596 46.354 18.826 1.00 0.00 WT1 H ATOM 22840 OH2 TIP3 7832 46.354 6.674 64.494 1.00 0.00 WT1 O ATOM 22841 H1 TIP3 7832 46.309 5.756 64.229 1.00 0.00 WT1 H ATOM 22842 H2 TIP3 7832 46.955 6.680 65.239 1.00 0.00 WT1 H ATOM 22843 OH2 TIP3 7833 61.143 51.213 3.149 1.00 0.00 WT1 O ATOM 22844 H1 TIP3 7833 60.406 51.819 3.071 1.00 0.00 WT1 H ATOM 22845 H2 TIP3 7833 61.719 51.616 3.798 1.00 0.00 WT1 H ATOM 22846 OH2 TIP3 7834 48.856 44.285 33.095 1.00 0.00 WT1 O ATOM 22847 H1 TIP3 7834 49.488 43.750 32.615 1.00 0.00 WT1 H ATOM 22848 H2 TIP3 7834 48.169 43.672 33.352 1.00 0.00 WT1 H ATOM 22849 OH2 TIP3 7835 61.669 25.495 -12.784 1.00 0.00 WT1 O ATOM 22850 H1 TIP3 7835 61.253 25.103 -12.016 1.00 0.00 WT1 H ATOM 22851 H2 TIP3 7835 60.948 25.892 -13.271 1.00 0.00 WT1 H ATOM 22852 OH2 TIP3 7836 79.462 51.849 -0.308 1.00 0.00 WT1 O ATOM 22853 H1 TIP3 7836 79.131 51.081 0.157 1.00 0.00 WT1 H ATOM 22854 H2 TIP3 7836 78.691 52.223 -0.735 1.00 0.00 WT1 H ATOM 22855 OH2 TIP3 7837 27.189 86.286 1.378 1.00 0.00 WT1 O ATOM 22856 H1 TIP3 7837 26.756 85.531 0.980 1.00 0.00 WT1 H ATOM 22857 H2 TIP3 7837 28.090 85.997 1.524 1.00 0.00 WT1 H ATOM 22858 OH2 TIP3 7838 20.548 73.788 -19.423 1.00 0.00 WT1 O ATOM 22859 H1 TIP3 7838 20.504 74.558 -19.990 1.00 0.00 WT1 H ATOM 22860 H2 TIP3 7838 20.887 74.120 -18.592 1.00 0.00 WT1 H ATOM 22861 OH2 TIP3 7839 29.492 34.689 46.585 1.00 0.00 WT1 O ATOM 22862 H1 TIP3 7839 28.976 35.190 45.954 1.00 0.00 WT1 H ATOM 22863 H2 TIP3 7839 30.392 34.756 46.268 1.00 0.00 WT1 H ATOM 22864 OH2 TIP3 7840 49.342 61.926 -7.309 1.00 0.00 WT1 O ATOM 22865 H1 TIP3 7840 49.453 60.976 -7.280 1.00 0.00 WT1 H ATOM 22866 H2 TIP3 7840 50.022 62.266 -6.727 1.00 0.00 WT1 H ATOM 22867 OH2 TIP3 7841 55.009 84.260 22.481 1.00 0.00 WT1 O ATOM 22868 H1 TIP3 7841 55.427 85.060 22.161 1.00 0.00 WT1 H ATOM 22869 H2 TIP3 7841 54.467 84.549 23.215 1.00 0.00 WT1 H ATOM 22870 OH2 TIP3 7842 33.265 3.350 22.428 1.00 0.00 WT1 O ATOM 22871 H1 TIP3 7842 33.556 2.958 21.605 1.00 0.00 WT1 H ATOM 22872 H2 TIP3 7842 32.309 3.319 22.384 1.00 0.00 WT1 H ATOM 22873 OH2 TIP3 7843 23.892 16.696 60.995 1.00 0.00 WT1 O ATOM 22874 H1 TIP3 7843 24.393 16.808 61.803 1.00 0.00 WT1 H ATOM 22875 H2 TIP3 7843 23.044 17.098 61.180 1.00 0.00 WT1 H ATOM 22876 OH2 TIP3 7844 79.573 51.692 19.135 1.00 0.00 WT1 O ATOM 22877 H1 TIP3 7844 79.022 51.180 19.726 1.00 0.00 WT1 H ATOM 22878 H2 TIP3 7844 79.434 52.600 19.404 1.00 0.00 WT1 H ATOM 22879 OH2 TIP3 7845 79.235 41.522 32.441 1.00 0.00 WT1 O ATOM 22880 H1 TIP3 7845 79.755 40.753 32.206 1.00 0.00 WT1 H ATOM 22881 H2 TIP3 7845 78.329 41.216 32.413 1.00 0.00 WT1 H ATOM 22882 OH2 TIP3 7846 73.246 39.667 49.098 1.00 0.00 WT1 O ATOM 22883 H1 TIP3 7846 72.818 39.057 49.700 1.00 0.00 WT1 H ATOM 22884 H2 TIP3 7846 73.924 39.145 48.670 1.00 0.00 WT1 H ATOM 22885 OH2 TIP3 7847 67.697 60.083 2.845 1.00 0.00 WT1 O ATOM 22886 H1 TIP3 7847 68.254 60.261 3.602 1.00 0.00 WT1 H ATOM 22887 H2 TIP3 7847 67.758 60.875 2.311 1.00 0.00 WT1 H ATOM 22888 OH2 TIP3 7849 81.120 29.210 -14.321 1.00 0.00 WT1 O ATOM 22889 H1 TIP3 7849 80.257 28.799 -14.261 1.00 0.00 WT1 H ATOM 22890 H2 TIP3 7849 81.697 28.513 -14.632 1.00 0.00 WT1 H ATOM 22891 OH2 TIP3 7850 72.371 60.507 33.700 1.00 0.00 WT1 O ATOM 22892 H1 TIP3 7850 72.617 59.587 33.800 1.00 0.00 WT1 H ATOM 22893 H2 TIP3 7850 72.230 60.617 32.760 1.00 0.00 WT1 H ATOM 22894 OH2 TIP3 7851 69.429 37.756 11.002 1.00 0.00 WT1 O ATOM 22895 H1 TIP3 7851 68.850 38.119 11.672 1.00 0.00 WT1 H ATOM 22896 H2 TIP3 7851 68.910 37.780 10.198 1.00 0.00 WT1 H ATOM 22897 OH2 TIP3 7852 75.972 37.479 -17.307 1.00 0.00 WT1 O ATOM 22898 H1 TIP3 7852 76.335 37.921 -18.074 1.00 0.00 WT1 H ATOM 22899 H2 TIP3 7852 76.550 37.733 -16.588 1.00 0.00 WT1 H ATOM 22900 OH2 TIP3 7853 82.829 13.378 55.394 1.00 0.00 WT1 O ATOM 22901 H1 TIP3 7853 82.402 14.221 55.239 1.00 0.00 WT1 H ATOM 22902 H2 TIP3 7853 83.193 13.133 54.544 1.00 0.00 WT1 H ATOM 22903 OH2 TIP3 7854 86.513 23.365 -16.221 1.00 0.00 WT1 O ATOM 22904 H1 TIP3 7854 86.333 22.989 -17.083 1.00 0.00 WT1 H ATOM 22905 H2 TIP3 7854 86.790 22.620 -15.687 1.00 0.00 WT1 H ATOM 22906 OH2 TIP3 7856 61.515 25.682 -0.914 1.00 0.00 WT1 O ATOM 22907 H1 TIP3 7856 61.302 24.781 -1.156 1.00 0.00 WT1 H ATOM 22908 H2 TIP3 7856 61.507 25.682 0.043 1.00 0.00 WT1 H ATOM 22909 OH2 TIP3 7857 85.254 7.153 6.716 1.00 0.00 WT1 O ATOM 22910 H1 TIP3 7857 84.914 7.153 7.611 1.00 0.00 WT1 H ATOM 22911 H2 TIP3 7857 85.930 7.831 6.716 1.00 0.00 WT1 H ATOM 22912 OH2 TIP3 7858 23.488 94.446 -5.468 1.00 0.00 WT1 O ATOM 22913 H1 TIP3 7858 24.324 94.735 -5.103 1.00 0.00 WT1 H ATOM 22914 H2 TIP3 7858 22.860 94.568 -4.755 1.00 0.00 WT1 H ATOM 22915 OH2 TIP3 7859 33.671 32.892 -2.951 1.00 0.00 WT1 O ATOM 22916 H1 TIP3 7859 34.507 32.756 -2.503 1.00 0.00 WT1 H ATOM 22917 H2 TIP3 7859 33.358 32.009 -3.147 1.00 0.00 WT1 H ATOM 22918 OH2 TIP3 7860 88.127 27.819 30.630 1.00 0.00 WT1 O ATOM 22919 H1 TIP3 7860 87.955 28.620 31.125 1.00 0.00 WT1 H ATOM 22920 H2 TIP3 7860 89.053 27.634 30.786 1.00 0.00 WT1 H ATOM 22921 OH2 TIP3 7861 61.620 48.518 3.002 1.00 0.00 WT1 O ATOM 22922 H1 TIP3 7861 61.911 48.549 3.914 1.00 0.00 WT1 H ATOM 22923 H2 TIP3 7861 61.538 49.436 2.745 1.00 0.00 WT1 H ATOM 22924 OH2 TIP3 7862 76.128 56.589 10.463 1.00 0.00 WT1 O ATOM 22925 H1 TIP3 7862 75.674 57.410 10.272 1.00 0.00 WT1 H ATOM 22926 H2 TIP3 7862 75.426 55.953 10.599 1.00 0.00 WT1 H ATOM 22927 OH2 TIP3 7863 35.560 83.132 39.380 1.00 0.00 WT1 O ATOM 22928 H1 TIP3 7863 36.134 82.451 39.732 1.00 0.00 WT1 H ATOM 22929 H2 TIP3 7863 35.860 83.939 39.799 1.00 0.00 WT1 H ATOM 22930 OH2 TIP3 7864 48.379 77.007 1.835 1.00 0.00 WT1 O ATOM 22931 H1 TIP3 7864 48.785 76.845 2.686 1.00 0.00 WT1 H ATOM 22932 H2 TIP3 7864 47.471 77.228 2.040 1.00 0.00 WT1 H ATOM 22933 OH2 TIP3 7865 60.860 40.049 -16.365 1.00 0.00 WT1 O ATOM 22934 H1 TIP3 7865 61.067 39.117 -16.302 1.00 0.00 WT1 H ATOM 22935 H2 TIP3 7865 61.322 40.345 -17.150 1.00 0.00 WT1 H ATOM 22936 OH2 TIP3 7866 66.147 20.421 26.959 1.00 0.00 WT1 O ATOM 22937 H1 TIP3 7866 66.883 19.850 26.738 1.00 0.00 WT1 H ATOM 22938 H2 TIP3 7866 65.371 19.927 26.692 1.00 0.00 WT1 H ATOM 22939 OH2 TIP3 7867 61.543 21.178 6.377 1.00 0.00 WT1 O ATOM 22940 H1 TIP3 7867 61.528 21.782 5.635 1.00 0.00 WT1 H ATOM 22941 H2 TIP3 7867 60.700 21.310 6.812 1.00 0.00 WT1 H ATOM 22942 OH2 TIP3 7868 84.806 0.339 56.657 1.00 0.00 WT1 O ATOM 22943 H1 TIP3 7868 85.445 0.774 57.222 1.00 0.00 WT1 H ATOM 22944 H2 TIP3 7868 83.977 0.774 56.854 1.00 0.00 WT1 H ATOM 22945 OH2 TIP3 7869 38.178 1.115 48.262 1.00 0.00 WT1 O ATOM 22946 H1 TIP3 7869 37.540 1.681 48.697 1.00 0.00 WT1 H ATOM 22947 H2 TIP3 7869 38.732 1.717 47.765 1.00 0.00 WT1 H ATOM 22948 OH2 TIP3 7870 49.970 17.914 -16.911 1.00 0.00 WT1 O ATOM 22949 H1 TIP3 7870 50.208 18.312 -16.074 1.00 0.00 WT1 H ATOM 22950 H2 TIP3 7870 50.467 18.409 -17.562 1.00 0.00 WT1 H ATOM 22951 OH2 TIP3 7871 61.203 84.778 56.673 1.00 0.00 WT1 O ATOM 22952 H1 TIP3 7871 61.096 83.952 56.201 1.00 0.00 WT1 H ATOM 22953 H2 TIP3 7871 61.995 84.654 57.196 1.00 0.00 WT1 H ATOM 22954 OH2 TIP3 7872 88.263 75.586 64.758 1.00 0.00 WT1 O ATOM 22955 H1 TIP3 7872 89.208 75.464 64.661 1.00 0.00 WT1 H ATOM 22956 H2 TIP3 7872 87.982 75.960 63.922 1.00 0.00 WT1 H ATOM 22957 OH2 TIP3 7874 21.169 61.478 25.594 1.00 0.00 WT1 O ATOM 22958 H1 TIP3 7874 21.969 60.959 25.674 1.00 0.00 WT1 H ATOM 22959 H2 TIP3 7874 21.079 61.638 24.655 1.00 0.00 WT1 H ATOM 22960 OH2 TIP3 7875 54.840 73.863 48.855 1.00 0.00 WT1 O ATOM 22961 H1 TIP3 7875 54.544 72.982 48.628 1.00 0.00 WT1 H ATOM 22962 H2 TIP3 7875 55.793 73.821 48.787 1.00 0.00 WT1 H ATOM 22963 OH2 TIP3 7877 72.174 72.063 1.589 1.00 0.00 WT1 O ATOM 22964 H1 TIP3 7877 71.280 71.873 1.873 1.00 0.00 WT1 H ATOM 22965 H2 TIP3 7877 72.087 72.300 0.665 1.00 0.00 WT1 H ATOM 22966 OH2 TIP3 7878 87.445 73.459 63.216 1.00 0.00 WT1 O ATOM 22967 H1 TIP3 7878 87.410 74.394 63.013 1.00 0.00 WT1 H ATOM 22968 H2 TIP3 7878 86.641 73.102 62.840 1.00 0.00 WT1 H ATOM 22969 OH2 TIP3 7879 27.047 90.011 63.037 1.00 0.00 WT1 O ATOM 22970 H1 TIP3 7879 26.911 89.782 63.956 1.00 0.00 WT1 H ATOM 22971 H2 TIP3 7879 27.191 90.957 63.043 1.00 0.00 WT1 H ATOM 22972 OH2 TIP3 7880 86.397 7.192 -7.778 1.00 0.00 WT1 O ATOM 22973 H1 TIP3 7880 86.754 7.400 -8.641 1.00 0.00 WT1 H ATOM 22974 H2 TIP3 7880 85.478 6.981 -7.943 1.00 0.00 WT1 H ATOM 22975 OH2 TIP3 7881 50.020 74.763 -12.895 1.00 0.00 WT1 O ATOM 22976 H1 TIP3 7881 49.921 73.818 -12.779 1.00 0.00 WT1 H ATOM 22977 H2 TIP3 7881 49.171 75.054 -13.228 1.00 0.00 WT1 H ATOM 22978 OH2 TIP3 7882 90.472 45.816 63.487 1.00 0.00 WT1 O ATOM 22979 H1 TIP3 7882 89.842 45.505 64.137 1.00 0.00 WT1 H ATOM 22980 H2 TIP3 7882 91.234 46.084 64.000 1.00 0.00 WT1 H ATOM 22981 OH2 TIP3 7883 87.691 71.269 -10.852 1.00 0.00 WT1 O ATOM 22982 H1 TIP3 7883 88.133 70.488 -10.518 1.00 0.00 WT1 H ATOM 22983 H2 TIP3 7883 87.865 71.943 -10.194 1.00 0.00 WT1 H ATOM 22984 OH2 TIP3 7884 25.630 51.306 12.056 1.00 0.00 WT1 O ATOM 22985 H1 TIP3 7884 26.498 51.687 11.921 1.00 0.00 WT1 H ATOM 22986 H2 TIP3 7884 25.180 51.434 11.221 1.00 0.00 WT1 H ATOM 22987 OH2 TIP3 7885 39.632 58.238 -4.609 1.00 0.00 WT1 O ATOM 22988 H1 TIP3 7885 39.771 58.581 -3.726 1.00 0.00 WT1 H ATOM 22989 H2 TIP3 7885 38.949 57.575 -4.504 1.00 0.00 WT1 H ATOM 22990 OH2 TIP3 7886 87.060 20.843 2.942 1.00 0.00 WT1 O ATOM 22991 H1 TIP3 7886 86.497 21.270 3.588 1.00 0.00 WT1 H ATOM 22992 H2 TIP3 7886 86.655 19.988 2.797 1.00 0.00 WT1 H ATOM 22993 OH2 TIP3 7887 89.756 50.407 2.540 1.00 0.00 WT1 O ATOM 22994 H1 TIP3 7887 89.289 50.603 1.728 1.00 0.00 WT1 H ATOM 22995 H2 TIP3 7887 90.451 51.064 2.581 1.00 0.00 WT1 H ATOM 22996 OH2 TIP3 7889 57.787 57.113 -13.474 1.00 0.00 WT1 O ATOM 22997 H1 TIP3 7889 57.781 57.448 -14.370 1.00 0.00 WT1 H ATOM 22998 H2 TIP3 7889 57.990 56.182 -13.566 1.00 0.00 WT1 H ATOM 22999 OH2 TIP3 7890 36.375 24.105 17.336 1.00 0.00 WT1 O ATOM 23000 H1 TIP3 7890 36.129 24.738 16.662 1.00 0.00 WT1 H ATOM 23001 H2 TIP3 7890 36.889 24.611 17.965 1.00 0.00 WT1 H ATOM 23002 OH2 TIP3 7891 25.822 54.888 22.927 1.00 0.00 WT1 O ATOM 23003 H1 TIP3 7891 25.980 54.855 21.984 1.00 0.00 WT1 H ATOM 23004 H2 TIP3 7891 26.048 54.013 23.240 1.00 0.00 WT1 H ATOM 23005 OH2 TIP3 7892 27.651 61.890 37.873 1.00 0.00 WT1 O ATOM 23006 H1 TIP3 7892 27.930 61.489 38.696 1.00 0.00 WT1 H ATOM 23007 H2 TIP3 7892 28.464 62.036 37.390 1.00 0.00 WT1 H ATOM 23008 OH2 TIP3 7893 20.870 30.727 47.814 1.00 0.00 WT1 O ATOM 23009 H1 TIP3 7893 20.322 31.466 48.080 1.00 0.00 WT1 H ATOM 23010 H2 TIP3 7893 21.394 31.066 47.088 1.00 0.00 WT1 H ATOM 23011 OH2 TIP3 7895 73.633 18.682 55.594 1.00 0.00 WT1 O ATOM 23012 H1 TIP3 7895 74.023 19.259 56.250 1.00 0.00 WT1 H ATOM 23013 H2 TIP3 7895 73.890 19.065 54.755 1.00 0.00 WT1 H ATOM 23014 OH2 TIP3 7896 82.484 42.978 38.005 1.00 0.00 WT1 O ATOM 23015 H1 TIP3 7896 82.417 43.546 37.237 1.00 0.00 WT1 H ATOM 23016 H2 TIP3 7896 82.809 42.146 37.661 1.00 0.00 WT1 H ATOM 23017 OH2 TIP3 7897 39.190 3.219 55.571 1.00 0.00 WT1 O ATOM 23018 H1 TIP3 7897 39.561 2.437 55.979 1.00 0.00 WT1 H ATOM 23019 H2 TIP3 7897 38.371 3.370 56.043 1.00 0.00 WT1 H ATOM 23020 OH2 TIP3 7899 82.028 69.311 64.640 1.00 0.00 WT1 O ATOM 23021 H1 TIP3 7899 81.977 68.372 64.462 1.00 0.00 WT1 H ATOM 23022 H2 TIP3 7899 81.120 69.611 64.614 1.00 0.00 WT1 H ATOM 23023 OH2 TIP3 7900 33.895 95.543 18.604 1.00 0.00 WT1 O ATOM 23024 H1 TIP3 7900 33.160 95.015 18.915 1.00 0.00 WT1 H ATOM 23025 H2 TIP3 7900 33.906 95.406 17.657 1.00 0.00 WT1 H ATOM 23026 OH2 TIP3 7901 21.595 65.090 -7.665 1.00 0.00 WT1 O ATOM 23027 H1 TIP3 7901 22.239 65.781 -7.508 1.00 0.00 WT1 H ATOM 23028 H2 TIP3 7901 21.114 65.381 -8.440 1.00 0.00 WT1 H ATOM 23029 OH2 TIP3 7902 46.909 91.144 28.702 1.00 0.00 WT1 O ATOM 23030 H1 TIP3 7902 46.571 90.819 29.536 1.00 0.00 WT1 H ATOM 23031 H2 TIP3 7902 46.663 90.473 28.065 1.00 0.00 WT1 H ATOM 23032 OH2 TIP3 7904 30.403 95.391 -0.469 1.00 0.00 WT1 O ATOM 23033 H1 TIP3 7904 29.572 94.976 -0.235 1.00 0.00 WT1 H ATOM 23034 H2 TIP3 7904 30.992 95.172 0.253 1.00 0.00 WT1 H ATOM 23035 OH2 TIP3 7905 70.897 38.666 2.216 1.00 0.00 WT1 O ATOM 23036 H1 TIP3 7905 71.560 38.044 1.915 1.00 0.00 WT1 H ATOM 23037 H2 TIP3 7905 71.398 39.435 2.491 1.00 0.00 WT1 H ATOM 23038 OH2 TIP3 7906 75.016 28.186 19.384 1.00 0.00 WT1 O ATOM 23039 H1 TIP3 7906 75.719 28.697 18.982 1.00 0.00 WT1 H ATOM 23040 H2 TIP3 7906 74.446 27.947 18.654 1.00 0.00 WT1 H ATOM 23041 OH2 TIP3 7907 51.523 48.984 -14.833 1.00 0.00 WT1 O ATOM 23042 H1 TIP3 7907 50.884 48.928 -15.544 1.00 0.00 WT1 H ATOM 23043 H2 TIP3 7907 51.007 49.235 -14.066 1.00 0.00 WT1 H ATOM 23044 OH2 TIP3 7908 72.704 1.799 6.918 1.00 0.00 WT1 O ATOM 23045 H1 TIP3 7908 72.439 2.075 7.795 1.00 0.00 WT1 H ATOM 23046 H2 TIP3 7908 73.400 2.410 6.674 1.00 0.00 WT1 H ATOM 23047 OH2 TIP3 7909 59.264 56.727 -11.095 1.00 0.00 WT1 O ATOM 23048 H1 TIP3 7909 59.247 55.782 -11.245 1.00 0.00 WT1 H ATOM 23049 H2 TIP3 7909 59.367 57.107 -11.967 1.00 0.00 WT1 H ATOM 23050 OH2 TIP3 7910 50.787 73.400 48.644 1.00 0.00 WT1 O ATOM 23051 H1 TIP3 7910 50.567 72.824 49.377 1.00 0.00 WT1 H ATOM 23052 H2 TIP3 7910 50.858 72.813 47.891 1.00 0.00 WT1 H ATOM 23053 OH2 TIP3 7911 85.687 48.577 49.906 1.00 0.00 WT1 O ATOM 23054 H1 TIP3 7911 85.203 47.931 50.421 1.00 0.00 WT1 H ATOM 23055 H2 TIP3 7911 86.384 48.876 50.490 1.00 0.00 WT1 H ATOM 23056 OH2 TIP3 7912 39.282 66.455 -0.797 1.00 0.00 WT1 O ATOM 23057 H1 TIP3 7912 39.850 65.807 -1.214 1.00 0.00 WT1 H ATOM 23058 H2 TIP3 7912 38.860 65.979 -0.082 1.00 0.00 WT1 H ATOM 23059 OH2 TIP3 7913 79.386 78.518 -16.933 1.00 0.00 WT1 O ATOM 23060 H1 TIP3 7913 80.287 78.195 -16.949 1.00 0.00 WT1 H ATOM 23061 H2 TIP3 7913 79.473 79.466 -16.837 1.00 0.00 WT1 H ATOM 23062 OH2 TIP3 7914 58.762 38.800 45.684 1.00 0.00 WT1 O ATOM 23063 H1 TIP3 7914 57.942 39.144 45.328 1.00 0.00 WT1 H ATOM 23064 H2 TIP3 7914 59.182 39.557 46.091 1.00 0.00 WT1 H ATOM 23065 OH2 TIP3 7915 61.803 70.391 59.107 1.00 0.00 WT1 O ATOM 23066 H1 TIP3 7915 62.758 70.457 59.082 1.00 0.00 WT1 H ATOM 23067 H2 TIP3 7915 61.559 70.106 58.227 1.00 0.00 WT1 H ATOM 23068 OH2 TIP3 7916 31.923 36.202 32.840 1.00 0.00 WT1 O ATOM 23069 H1 TIP3 7916 32.348 37.023 33.088 1.00 0.00 WT1 H ATOM 23070 H2 TIP3 7916 31.221 36.465 32.245 1.00 0.00 WT1 H ATOM 23071 OH2 TIP3 7917 29.146 69.277 14.676 1.00 0.00 WT1 O ATOM 23072 H1 TIP3 7917 29.821 69.683 15.220 1.00 0.00 WT1 H ATOM 23073 H2 TIP3 7917 29.609 68.999 13.886 1.00 0.00 WT1 H ATOM 23074 OH2 TIP3 7918 32.596 38.601 41.450 1.00 0.00 WT1 O ATOM 23075 H1 TIP3 7918 32.844 37.922 40.823 1.00 0.00 WT1 H ATOM 23076 H2 TIP3 7918 33.290 39.257 41.379 1.00 0.00 WT1 H ATOM 23077 OH2 TIP3 7919 23.056 28.385 23.046 1.00 0.00 WT1 O ATOM 23078 H1 TIP3 7919 22.469 28.266 22.299 1.00 0.00 WT1 H ATOM 23079 H2 TIP3 7919 23.595 29.139 22.809 1.00 0.00 WT1 H ATOM 23080 OH2 TIP3 7920 46.481 89.099 65.868 1.00 0.00 WT1 O ATOM 23081 H1 TIP3 7920 46.803 89.495 65.058 1.00 0.00 WT1 H ATOM 23082 H2 TIP3 7920 45.556 89.340 65.902 1.00 0.00 WT1 H ATOM 23083 OH2 TIP3 7921 20.654 41.503 0.479 1.00 0.00 WT1 O ATOM 23084 H1 TIP3 7921 21.014 41.219 1.319 1.00 0.00 WT1 H ATOM 23085 H2 TIP3 7921 20.134 40.758 0.178 1.00 0.00 WT1 H ATOM 23086 OH2 TIP3 7922 67.191 86.186 -13.049 1.00 0.00 WT1 O ATOM 23087 H1 TIP3 7922 66.985 85.291 -12.779 1.00 0.00 WT1 H ATOM 23088 H2 TIP3 7922 67.268 86.138 -14.002 1.00 0.00 WT1 H ATOM 23089 OH2 TIP3 7923 83.941 87.879 -16.381 1.00 0.00 WT1 O ATOM 23090 H1 TIP3 7923 83.723 88.502 -17.074 1.00 0.00 WT1 H ATOM 23091 H2 TIP3 7923 84.589 87.296 -16.776 1.00 0.00 WT1 H ATOM 23092 OH2 TIP3 7924 84.760 44.063 4.875 1.00 0.00 WT1 O ATOM 23093 H1 TIP3 7924 85.004 43.193 4.560 1.00 0.00 WT1 H ATOM 23094 H2 TIP3 7924 84.445 44.521 4.097 1.00 0.00 WT1 H ATOM 23095 OH2 TIP3 7925 55.940 73.200 -14.411 1.00 0.00 WT1 O ATOM 23096 H1 TIP3 7925 55.762 72.644 -15.170 1.00 0.00 WT1 H ATOM 23097 H2 TIP3 7925 55.112 73.225 -13.932 1.00 0.00 WT1 H ATOM 23098 OH2 TIP3 7926 67.920 72.146 -18.804 1.00 0.00 WT1 O ATOM 23099 H1 TIP3 7926 67.671 72.872 -19.376 1.00 0.00 WT1 H ATOM 23100 H2 TIP3 7926 68.204 71.455 -19.404 1.00 0.00 WT1 H ATOM 23101 OH2 TIP3 7927 73.967 12.543 49.447 1.00 0.00 WT1 O ATOM 23102 H1 TIP3 7927 73.450 13.300 49.721 1.00 0.00 WT1 H ATOM 23103 H2 TIP3 7927 73.334 11.828 49.385 1.00 0.00 WT1 H ATOM 23104 OH2 TIP3 7928 75.893 86.044 41.661 1.00 0.00 WT1 O ATOM 23105 H1 TIP3 7928 76.256 85.204 41.942 1.00 0.00 WT1 H ATOM 23106 H2 TIP3 7928 75.488 86.407 42.449 1.00 0.00 WT1 H ATOM 23107 OH2 TIP3 7929 42.042 1.019 48.738 1.00 0.00 WT1 O ATOM 23108 H1 TIP3 7929 42.162 0.094 48.953 1.00 0.00 WT1 H ATOM 23109 H2 TIP3 7929 42.922 1.393 48.788 1.00 0.00 WT1 H ATOM 23110 OH2 TIP3 7930 85.030 95.609 41.833 1.00 0.00 WT1 O ATOM 23111 H1 TIP3 7930 84.302 94.988 41.861 1.00 0.00 WT1 H ATOM 23112 H2 TIP3 7930 85.761 95.106 41.475 1.00 0.00 WT1 H ATOM 23113 OH2 TIP3 7931 27.094 53.146 52.986 1.00 0.00 WT1 O ATOM 23114 H1 TIP3 7931 27.486 53.561 53.754 1.00 0.00 WT1 H ATOM 23115 H2 TIP3 7931 27.665 52.401 52.798 1.00 0.00 WT1 H ATOM 23116 OH2 TIP3 7932 26.315 56.656 -0.722 1.00 0.00 WT1 O ATOM 23117 H1 TIP3 7932 25.933 57.426 -1.142 1.00 0.00 WT1 H ATOM 23118 H2 TIP3 7932 26.912 56.296 -1.379 1.00 0.00 WT1 H ATOM 23119 OH2 TIP3 7933 35.983 27.527 36.953 1.00 0.00 WT1 O ATOM 23120 H1 TIP3 7933 35.506 28.016 37.623 1.00 0.00 WT1 H ATOM 23121 H2 TIP3 7933 36.130 28.162 36.252 1.00 0.00 WT1 H ATOM 23122 OH2 TIP3 7934 74.928 58.890 37.066 1.00 0.00 WT1 O ATOM 23123 H1 TIP3 7934 74.034 59.223 37.146 1.00 0.00 WT1 H ATOM 23124 H2 TIP3 7934 75.096 58.877 36.124 1.00 0.00 WT1 H ATOM 23125 OH2 TIP3 7935 80.108 48.347 53.521 1.00 0.00 WT1 O ATOM 23126 H1 TIP3 7935 80.030 48.070 54.434 1.00 0.00 WT1 H ATOM 23127 H2 TIP3 7935 80.037 49.301 53.552 1.00 0.00 WT1 H ATOM 23128 OH2 TIP3 7936 68.798 47.800 16.401 1.00 0.00 WT1 O ATOM 23129 H1 TIP3 7936 69.297 47.163 15.890 1.00 0.00 WT1 H ATOM 23130 H2 TIP3 7936 67.921 47.781 16.018 1.00 0.00 WT1 H ATOM 23131 OH2 TIP3 7937 42.400 79.245 33.295 1.00 0.00 WT1 O ATOM 23132 H1 TIP3 7937 43.234 78.818 33.101 1.00 0.00 WT1 H ATOM 23133 H2 TIP3 7937 41.798 78.523 33.479 1.00 0.00 WT1 H ATOM 23134 OH2 TIP3 7938 52.762 89.357 -5.267 1.00 0.00 WT1 O ATOM 23135 H1 TIP3 7938 52.091 88.847 -4.814 1.00 0.00 WT1 H ATOM 23136 H2 TIP3 7938 52.274 89.899 -5.887 1.00 0.00 WT1 H ATOM 23137 OH2 TIP3 7939 20.260 79.478 28.196 1.00 0.00 WT1 O ATOM 23138 H1 TIP3 7939 20.619 78.876 28.848 1.00 0.00 WT1 H ATOM 23139 H2 TIP3 7939 21.018 79.968 27.879 1.00 0.00 WT1 H ATOM 23140 OH2 TIP3 7940 82.200 38.505 3.023 1.00 0.00 WT1 O ATOM 23141 H1 TIP3 7940 82.371 37.656 2.615 1.00 0.00 WT1 H ATOM 23142 H2 TIP3 7940 82.981 38.680 3.548 1.00 0.00 WT1 H ATOM 23143 OH2 TIP3 7941 51.844 8.557 0.165 1.00 0.00 WT1 O ATOM 23144 H1 TIP3 7941 52.708 8.949 0.035 1.00 0.00 WT1 H ATOM 23145 H2 TIP3 7941 51.540 8.918 0.998 1.00 0.00 WT1 H ATOM 23146 OH2 TIP3 7942 40.682 16.529 -3.118 1.00 0.00 WT1 O ATOM 23147 H1 TIP3 7942 39.993 17.107 -2.789 1.00 0.00 WT1 H ATOM 23148 H2 TIP3 7942 40.298 16.111 -3.888 1.00 0.00 WT1 H ATOM 23149 OH2 TIP3 7943 21.885 22.323 2.432 1.00 0.00 WT1 O ATOM 23150 H1 TIP3 7943 21.455 21.468 2.480 1.00 0.00 WT1 H ATOM 23151 H2 TIP3 7943 22.348 22.405 3.265 1.00 0.00 WT1 H ATOM 23152 OH2 TIP3 7944 50.048 74.968 59.874 1.00 0.00 WT1 O ATOM 23153 H1 TIP3 7944 50.105 74.225 59.274 1.00 0.00 WT1 H ATOM 23154 H2 TIP3 7944 50.265 75.729 59.336 1.00 0.00 WT1 H ATOM 23155 OH2 TIP3 7945 42.944 87.013 -1.697 1.00 0.00 WT1 O ATOM 23156 H1 TIP3 7945 42.543 87.198 -0.848 1.00 0.00 WT1 H ATOM 23157 H2 TIP3 7945 43.617 87.687 -1.796 1.00 0.00 WT1 H ATOM 23158 OH2 TIP3 7946 36.556 66.639 -3.762 1.00 0.00 WT1 O ATOM 23159 H1 TIP3 7946 35.726 67.072 -3.558 1.00 0.00 WT1 H ATOM 23160 H2 TIP3 7946 36.588 66.622 -4.719 1.00 0.00 WT1 H ATOM 23161 OH2 TIP3 7947 26.938 4.753 -10.741 1.00 0.00 WT1 O ATOM 23162 H1 TIP3 7947 26.486 3.962 -10.448 1.00 0.00 WT1 H ATOM 23163 H2 TIP3 7947 27.687 4.431 -11.242 1.00 0.00 WT1 H ATOM 23164 OH2 TIP3 7948 36.713 21.790 16.031 1.00 0.00 WT1 O ATOM 23165 H1 TIP3 7948 37.406 21.662 15.384 1.00 0.00 WT1 H ATOM 23166 H2 TIP3 7948 36.904 22.642 16.424 1.00 0.00 WT1 H ATOM 23167 OH2 TIP3 7949 43.089 65.055 57.878 1.00 0.00 WT1 O ATOM 23168 H1 TIP3 7949 44.044 64.991 57.903 1.00 0.00 WT1 H ATOM 23169 H2 TIP3 7949 42.820 64.388 57.247 1.00 0.00 WT1 H ATOM 23170 OH2 TIP3 7950 83.758 84.897 21.849 1.00 0.00 WT1 O ATOM 23171 H1 TIP3 7950 83.348 85.109 21.010 1.00 0.00 WT1 H ATOM 23172 H2 TIP3 7950 84.176 84.048 21.703 1.00 0.00 WT1 H ATOM 23173 OH2 TIP3 7951 49.391 47.521 -9.890 1.00 0.00 WT1 O ATOM 23174 H1 TIP3 7951 49.127 47.385 -8.980 1.00 0.00 WT1 H ATOM 23175 H2 TIP3 7951 49.401 48.472 -9.998 1.00 0.00 WT1 H ATOM 23176 OH2 TIP3 7952 30.905 33.793 -2.635 1.00 0.00 WT1 O ATOM 23177 H1 TIP3 7952 31.788 33.425 -2.625 1.00 0.00 WT1 H ATOM 23178 H2 TIP3 7952 30.956 34.557 -2.061 1.00 0.00 WT1 H ATOM 23179 OH2 TIP3 7953 83.306 7.710 67.433 1.00 0.00 WT1 O ATOM 23180 H1 TIP3 7953 84.053 8.304 67.359 1.00 0.00 WT1 H ATOM 23181 H2 TIP3 7953 83.617 6.885 67.059 1.00 0.00 WT1 H ATOM 23182 OH2 TIP3 7954 71.283 42.626 60.255 1.00 0.00 WT1 O ATOM 23183 H1 TIP3 7954 71.772 42.294 61.008 1.00 0.00 WT1 H ATOM 23184 H2 TIP3 7954 71.773 43.398 59.971 1.00 0.00 WT1 H ATOM 23185 OH2 TIP3 7955 73.136 2.155 3.903 1.00 0.00 WT1 O ATOM 23186 H1 TIP3 7955 72.397 2.078 4.506 1.00 0.00 WT1 H ATOM 23187 H2 TIP3 7955 72.845 2.789 3.247 1.00 0.00 WT1 H ATOM 23188 OH2 TIP3 7956 82.716 52.921 19.106 1.00 0.00 WT1 O ATOM 23189 H1 TIP3 7956 82.376 52.038 18.961 1.00 0.00 WT1 H ATOM 23190 H2 TIP3 7956 82.577 53.372 18.273 1.00 0.00 WT1 H ATOM 23191 OH2 TIP3 7957 67.213 88.999 63.973 1.00 0.00 WT1 O ATOM 23192 H1 TIP3 7957 66.835 89.707 63.451 1.00 0.00 WT1 H ATOM 23193 H2 TIP3 7957 67.877 89.428 64.513 1.00 0.00 WT1 H ATOM 23194 OH2 TIP3 7958 63.637 88.933 29.005 1.00 0.00 WT1 O ATOM 23195 H1 TIP3 7958 63.693 88.513 29.864 1.00 0.00 WT1 H ATOM 23196 H2 TIP3 7958 63.363 88.233 28.413 1.00 0.00 WT1 H ATOM 23197 OH2 TIP3 7959 73.905 17.189 7.731 1.00 0.00 WT1 O ATOM 23198 H1 TIP3 7959 73.445 17.257 8.568 1.00 0.00 WT1 H ATOM 23199 H2 TIP3 7959 73.471 17.830 7.167 1.00 0.00 WT1 H ATOM 23200 OH2 TIP3 7960 69.662 20.765 32.153 1.00 0.00 WT1 O ATOM 23201 H1 TIP3 7960 69.751 21.543 31.603 1.00 0.00 WT1 H ATOM 23202 H2 TIP3 7960 68.966 20.256 31.737 1.00 0.00 WT1 H ATOM 23203 OH2 TIP3 7962 49.779 80.673 37.716 1.00 0.00 WT1 O ATOM 23204 H1 TIP3 7962 49.320 79.963 37.266 1.00 0.00 WT1 H ATOM 23205 H2 TIP3 7962 49.437 81.472 37.315 1.00 0.00 WT1 H ATOM 23206 OH2 TIP3 7963 31.032 21.193 59.528 1.00 0.00 WT1 O ATOM 23207 H1 TIP3 7963 30.240 20.791 59.886 1.00 0.00 WT1 H ATOM 23208 H2 TIP3 7963 30.763 22.078 59.282 1.00 0.00 WT1 H ATOM 23209 OH2 TIP3 7964 73.220 96.215 3.520 1.00 0.00 WT1 O ATOM 23210 H1 TIP3 7964 73.059 97.120 3.789 1.00 0.00 WT1 H ATOM 23211 H2 TIP3 7964 73.198 95.715 4.336 1.00 0.00 WT1 H ATOM 23212 OH2 TIP3 7965 66.631 31.403 14.883 1.00 0.00 WT1 O ATOM 23213 H1 TIP3 7965 65.911 31.220 14.279 1.00 0.00 WT1 H ATOM 23214 H2 TIP3 7965 66.222 31.882 15.604 1.00 0.00 WT1 H ATOM 23215 OH2 TIP3 7966 82.250 31.210 37.569 1.00 0.00 WT1 O ATOM 23216 H1 TIP3 7966 82.893 31.102 36.869 1.00 0.00 WT1 H ATOM 23217 H2 TIP3 7966 82.722 30.970 38.367 1.00 0.00 WT1 H ATOM 23218 OH2 TIP3 7967 82.182 32.317 -5.238 1.00 0.00 WT1 O ATOM 23219 H1 TIP3 7967 82.900 32.019 -4.680 1.00 0.00 WT1 H ATOM 23220 H2 TIP3 7967 82.092 33.248 -5.035 1.00 0.00 WT1 H ATOM 23221 OH2 TIP3 7968 29.084 21.462 8.633 1.00 0.00 WT1 O ATOM 23222 H1 TIP3 7968 29.334 22.010 7.889 1.00 0.00 WT1 H ATOM 23223 H2 TIP3 7968 29.640 21.764 9.352 1.00 0.00 WT1 H ATOM 23224 OH2 TIP3 7969 37.663 25.861 -14.274 1.00 0.00 WT1 O ATOM 23225 H1 TIP3 7969 37.448 26.239 -13.421 1.00 0.00 WT1 H ATOM 23226 H2 TIP3 7969 37.922 24.960 -14.078 1.00 0.00 WT1 H ATOM 23227 OH2 TIP3 7970 44.018 11.037 65.584 1.00 0.00 WT1 O ATOM 23228 H1 TIP3 7970 44.301 10.181 65.262 1.00 0.00 WT1 H ATOM 23229 H2 TIP3 7970 43.567 11.436 64.841 1.00 0.00 WT1 H ATOM 23230 OH2 TIP3 7971 88.525 95.113 -17.551 1.00 0.00 WT1 O ATOM 23231 H1 TIP3 7971 89.176 95.789 -17.742 1.00 0.00 WT1 H ATOM 23232 H2 TIP3 7971 88.977 94.503 -16.968 1.00 0.00 WT1 H ATOM 23233 OH2 TIP3 7972 27.546 32.962 2.835 1.00 0.00 WT1 O ATOM 23234 H1 TIP3 7972 27.333 33.811 2.447 1.00 0.00 WT1 H ATOM 23235 H2 TIP3 7972 27.660 33.145 3.767 1.00 0.00 WT1 H ATOM 23236 OH2 TIP3 7973 54.282 88.682 36.771 1.00 0.00 WT1 O ATOM 23237 H1 TIP3 7973 55.067 88.142 36.869 1.00 0.00 WT1 H ATOM 23238 H2 TIP3 7973 54.616 89.556 36.570 1.00 0.00 WT1 H ATOM 23239 OH2 TIP3 7974 86.507 40.627 40.596 1.00 0.00 WT1 O ATOM 23240 H1 TIP3 7974 86.838 41.011 41.408 1.00 0.00 WT1 H ATOM 23241 H2 TIP3 7974 85.996 39.869 40.880 1.00 0.00 WT1 H ATOM 23242 OH2 TIP3 7975 44.955 1.132 36.863 1.00 0.00 WT1 O ATOM 23243 H1 TIP3 7975 44.602 1.419 37.705 1.00 0.00 WT1 H ATOM 23244 H2 TIP3 7975 45.878 1.385 36.891 1.00 0.00 WT1 H ATOM 23245 OH2 TIP3 7976 39.391 22.762 63.631 1.00 0.00 WT1 O ATOM 23246 H1 TIP3 7976 40.149 22.851 64.209 1.00 0.00 WT1 H ATOM 23247 H2 TIP3 7976 39.083 23.659 63.501 1.00 0.00 WT1 H ATOM 23248 OH2 TIP3 7977 74.719 78.558 -2.333 1.00 0.00 WT1 O ATOM 23249 H1 TIP3 7977 74.479 78.309 -3.225 1.00 0.00 WT1 H ATOM 23250 H2 TIP3 7977 73.890 78.560 -1.853 1.00 0.00 WT1 H ATOM 23251 OH2 TIP3 7978 66.245 80.626 47.401 1.00 0.00 WT1 O ATOM 23252 H1 TIP3 7978 65.939 81.136 48.151 1.00 0.00 WT1 H ATOM 23253 H2 TIP3 7978 66.255 79.722 47.713 1.00 0.00 WT1 H ATOM 23254 OH2 TIP3 7979 35.099 53.080 37.042 1.00 0.00 WT1 O ATOM 23255 H1 TIP3 7979 34.946 53.978 36.750 1.00 0.00 WT1 H ATOM 23256 H2 TIP3 7979 34.224 52.704 37.130 1.00 0.00 WT1 H ATOM 23257 OH2 TIP3 7980 75.981 70.704 20.431 1.00 0.00 WT1 O ATOM 23258 H1 TIP3 7980 76.807 70.904 19.991 1.00 0.00 WT1 H ATOM 23259 H2 TIP3 7980 75.542 70.084 19.849 1.00 0.00 WT1 H ATOM 23260 OH2 TIP3 7981 44.531 6.325 25.063 1.00 0.00 WT1 O ATOM 23261 H1 TIP3 7981 44.184 6.113 25.930 1.00 0.00 WT1 H ATOM 23262 H2 TIP3 7981 45.008 7.145 25.190 1.00 0.00 WT1 H ATOM 23263 OH2 TIP3 7982 28.250 1.793 -14.166 1.00 0.00 WT1 O ATOM 23264 H1 TIP3 7982 29.132 1.543 -13.893 1.00 0.00 WT1 H ATOM 23265 H2 TIP3 7982 27.907 2.304 -13.433 1.00 0.00 WT1 H ATOM 23266 OH2 TIP3 7983 63.007 1.414 -17.377 1.00 0.00 WT1 O ATOM 23267 H1 TIP3 7983 63.707 0.765 -17.308 1.00 0.00 WT1 H ATOM 23268 H2 TIP3 7983 63.381 2.113 -17.913 1.00 0.00 WT1 H ATOM 23269 OH2 TIP3 7984 23.504 92.087 5.294 1.00 0.00 WT1 O ATOM 23270 H1 TIP3 7984 23.731 92.338 4.398 1.00 0.00 WT1 H ATOM 23271 H2 TIP3 7984 23.436 92.917 5.766 1.00 0.00 WT1 H ATOM 23272 OH2 TIP3 7985 33.243 79.795 -4.097 1.00 0.00 WT1 O ATOM 23273 H1 TIP3 7985 32.467 80.329 -3.924 1.00 0.00 WT1 H ATOM 23274 H2 TIP3 7985 33.096 78.991 -3.600 1.00 0.00 WT1 H ATOM 23275 OH2 TIP3 7986 75.894 8.489 -5.591 1.00 0.00 WT1 O ATOM 23276 H1 TIP3 7986 75.766 9.416 -5.795 1.00 0.00 WT1 H ATOM 23277 H2 TIP3 7986 76.607 8.480 -4.953 1.00 0.00 WT1 H ATOM 23278 OH2 TIP3 7987 69.347 90.094 65.286 1.00 0.00 WT1 O ATOM 23279 H1 TIP3 7987 69.714 90.979 65.289 1.00 0.00 WT1 H ATOM 23280 H2 TIP3 7987 69.771 89.656 66.024 1.00 0.00 WT1 H ATOM 23281 OH2 TIP3 7988 38.488 35.788 6.789 1.00 0.00 WT1 O ATOM 23282 H1 TIP3 7988 37.625 35.869 7.196 1.00 0.00 WT1 H ATOM 23283 H2 TIP3 7988 38.975 36.549 7.105 1.00 0.00 WT1 H ATOM 23284 OH2 TIP3 7989 38.343 18.949 -17.447 1.00 0.00 WT1 O ATOM 23285 H1 TIP3 7989 38.511 18.214 -16.858 1.00 0.00 WT1 H ATOM 23286 H2 TIP3 7989 38.903 18.782 -18.206 1.00 0.00 WT1 H ATOM 23287 OH2 TIP3 7990 22.183 66.058 23.463 1.00 0.00 WT1 O ATOM 23288 H1 TIP3 7990 22.639 65.368 23.947 1.00 0.00 WT1 H ATOM 23289 H2 TIP3 7990 21.331 65.677 23.249 1.00 0.00 WT1 H ATOM 23290 OH2 TIP3 7991 37.034 84.392 9.547 1.00 0.00 WT1 O ATOM 23291 H1 TIP3 7991 36.188 84.048 9.259 1.00 0.00 WT1 H ATOM 23292 H2 TIP3 7991 37.279 85.023 8.870 1.00 0.00 WT1 H ATOM 23293 OH2 TIP3 7992 38.687 76.754 61.498 1.00 0.00 WT1 O ATOM 23294 H1 TIP3 7992 39.003 75.978 61.962 1.00 0.00 WT1 H ATOM 23295 H2 TIP3 7992 38.609 76.473 60.586 1.00 0.00 WT1 H ATOM 23296 OH2 TIP3 7993 66.490 53.018 5.057 1.00 0.00 WT1 O ATOM 23297 H1 TIP3 7993 67.052 52.642 5.735 1.00 0.00 WT1 H ATOM 23298 H2 TIP3 7993 65.642 53.135 5.486 1.00 0.00 WT1 H ATOM 23299 OH2 TIP3 7994 26.485 65.242 22.376 1.00 0.00 WT1 O ATOM 23300 H1 TIP3 7994 26.882 65.024 23.219 1.00 0.00 WT1 H ATOM 23301 H2 TIP3 7994 27.222 65.281 21.766 1.00 0.00 WT1 H ATOM 23302 OH2 TIP3 7995 65.772 38.961 63.513 1.00 0.00 WT1 O ATOM 23303 H1 TIP3 7995 66.181 38.981 64.378 1.00 0.00 WT1 H ATOM 23304 H2 TIP3 7995 64.864 38.711 63.682 1.00 0.00 WT1 H ATOM 23305 OH2 TIP3 7996 35.457 91.158 23.352 1.00 0.00 WT1 O ATOM 23306 H1 TIP3 7996 34.840 90.676 22.801 1.00 0.00 WT1 H ATOM 23307 H2 TIP3 7996 36.298 91.071 22.903 1.00 0.00 WT1 H ATOM 23308 OH2 TIP3 7997 48.393 37.663 37.540 1.00 0.00 WT1 O ATOM 23309 H1 TIP3 7997 48.039 37.440 36.679 1.00 0.00 WT1 H ATOM 23310 H2 TIP3 7997 48.831 38.503 37.409 1.00 0.00 WT1 H ATOM 23311 OH2 TIP3 7999 60.739 95.488 14.705 1.00 0.00 WT1 O ATOM 23312 H1 TIP3 7999 60.668 94.537 14.790 1.00 0.00 WT1 H ATOM 23313 H2 TIP3 7999 61.677 95.665 14.772 1.00 0.00 WT1 H ATOM 23314 OH2 TIP3 8000 29.796 74.055 62.397 1.00 0.00 WT1 O ATOM 23315 H1 TIP3 8000 29.686 74.969 62.133 1.00 0.00 WT1 H ATOM 23316 H2 TIP3 8000 29.403 74.008 63.268 1.00 0.00 WT1 H ATOM 23317 OH2 TIP3 8001 30.424 70.974 32.374 1.00 0.00 WT1 O ATOM 23318 H1 TIP3 8001 31.362 71.030 32.555 1.00 0.00 WT1 H ATOM 23319 H2 TIP3 8001 30.371 70.564 31.510 1.00 0.00 WT1 H ATOM 23320 OH2 TIP3 8002 24.400 16.767 -16.364 1.00 0.00 WT1 O ATOM 23321 H1 TIP3 8002 24.222 16.573 -17.284 1.00 0.00 WT1 H ATOM 23322 H2 TIP3 8002 23.853 17.528 -16.169 1.00 0.00 WT1 H ATOM 23323 OH2 TIP3 8003 20.390 37.112 1.838 1.00 0.00 WT1 O ATOM 23324 H1 TIP3 8003 21.307 37.190 1.574 1.00 0.00 WT1 H ATOM 23325 H2 TIP3 8003 20.337 36.263 2.277 1.00 0.00 WT1 H ATOM 23326 OH2 TIP3 8004 58.242 12.028 1.312 1.00 0.00 WT1 O ATOM 23327 H1 TIP3 8004 58.558 11.228 1.732 1.00 0.00 WT1 H ATOM 23328 H2 TIP3 8004 57.371 12.167 1.685 1.00 0.00 WT1 H ATOM 23329 OH2 TIP3 8005 53.194 9.247 59.333 1.00 0.00 WT1 O ATOM 23330 H1 TIP3 8005 52.756 9.933 59.837 1.00 0.00 WT1 H ATOM 23331 H2 TIP3 8005 53.114 8.463 59.876 1.00 0.00 WT1 H ATOM 23332 OH2 TIP3 8006 47.287 17.137 16.812 1.00 0.00 WT1 O ATOM 23333 H1 TIP3 8006 46.737 16.744 16.134 1.00 0.00 WT1 H ATOM 23334 H2 TIP3 8006 48.057 17.456 16.341 1.00 0.00 WT1 H ATOM 23335 OH2 TIP3 8007 24.239 75.170 15.761 1.00 0.00 WT1 O ATOM 23336 H1 TIP3 8007 24.192 75.168 16.717 1.00 0.00 WT1 H ATOM 23337 H2 TIP3 8007 24.500 74.278 15.532 1.00 0.00 WT1 H ATOM 23338 OH2 TIP3 8008 29.288 56.141 45.058 1.00 0.00 WT1 O ATOM 23339 H1 TIP3 8008 29.457 56.470 45.941 1.00 0.00 WT1 H ATOM 23340 H2 TIP3 8008 28.344 55.984 45.037 1.00 0.00 WT1 H ATOM 23341 OH2 TIP3 8010 47.043 72.540 30.982 1.00 0.00 WT1 O ATOM 23342 H1 TIP3 8010 47.894 72.449 30.554 1.00 0.00 WT1 H ATOM 23343 H2 TIP3 8010 47.183 72.207 31.868 1.00 0.00 WT1 H ATOM 23344 OH2 TIP3 8011 85.617 45.243 13.730 1.00 0.00 WT1 O ATOM 23345 H1 TIP3 8011 84.934 44.869 13.175 1.00 0.00 WT1 H ATOM 23346 H2 TIP3 8011 85.260 45.193 14.617 1.00 0.00 WT1 H ATOM 23347 OH2 TIP3 8012 26.812 4.681 -2.680 1.00 0.00 WT1 O ATOM 23348 H1 TIP3 8012 27.111 4.590 -1.775 1.00 0.00 WT1 H ATOM 23349 H2 TIP3 8012 27.601 4.910 -3.171 1.00 0.00 WT1 H ATOM 23350 OH2 TIP3 8013 31.511 91.051 28.142 1.00 0.00 WT1 O ATOM 23351 H1 TIP3 8013 30.699 91.557 28.148 1.00 0.00 WT1 H ATOM 23352 H2 TIP3 8013 31.600 90.751 27.237 1.00 0.00 WT1 H ATOM 23353 OH2 TIP3 8014 62.401 41.810 6.625 1.00 0.00 WT1 O ATOM 23354 H1 TIP3 8014 62.531 42.408 7.362 1.00 0.00 WT1 H ATOM 23355 H2 TIP3 8014 62.786 40.984 6.916 1.00 0.00 WT1 H ATOM 23356 OH2 TIP3 8015 42.793 21.491 -2.650 1.00 0.00 WT1 O ATOM 23357 H1 TIP3 8015 43.424 20.785 -2.512 1.00 0.00 WT1 H ATOM 23358 H2 TIP3 8015 42.094 21.315 -2.020 1.00 0.00 WT1 H ATOM 23359 OH2 TIP3 8016 89.043 30.886 36.619 1.00 0.00 WT1 O ATOM 23360 H1 TIP3 8016 89.659 30.153 36.633 1.00 0.00 WT1 H ATOM 23361 H2 TIP3 8016 88.560 30.809 37.442 1.00 0.00 WT1 H ATOM 23362 OH2 TIP3 8017 37.568 60.324 -5.999 1.00 0.00 WT1 O ATOM 23363 H1 TIP3 8017 37.125 60.301 -5.151 1.00 0.00 WT1 H ATOM 23364 H2 TIP3 8017 37.837 59.418 -6.154 1.00 0.00 WT1 H ATOM 23365 OH2 TIP3 8018 62.709 29.034 -3.812 1.00 0.00 WT1 O ATOM 23366 H1 TIP3 8018 61.885 29.241 -3.369 1.00 0.00 WT1 H ATOM 23367 H2 TIP3 8018 63.354 28.983 -3.107 1.00 0.00 WT1 H ATOM 23368 OH2 TIP3 8019 45.155 70.869 -4.846 1.00 0.00 WT1 O ATOM 23369 H1 TIP3 8019 45.488 71.457 -4.168 1.00 0.00 WT1 H ATOM 23370 H2 TIP3 8019 44.890 70.081 -4.371 1.00 0.00 WT1 H ATOM 23371 OH2 TIP3 8020 59.765 71.067 62.739 1.00 0.00 WT1 O ATOM 23372 H1 TIP3 8020 58.822 71.099 62.901 1.00 0.00 WT1 H ATOM 23373 H2 TIP3 8020 60.155 70.993 63.610 1.00 0.00 WT1 H ATOM 23374 OH2 TIP3 8021 61.196 61.131 62.370 1.00 0.00 WT1 O ATOM 23375 H1 TIP3 8021 61.380 61.742 61.658 1.00 0.00 WT1 H ATOM 23376 H2 TIP3 8021 60.305 61.345 62.646 1.00 0.00 WT1 H ATOM 23377 OH2 TIP3 8022 81.574 31.706 -12.822 1.00 0.00 WT1 O ATOM 23378 H1 TIP3 8022 81.821 31.258 -12.014 1.00 0.00 WT1 H ATOM 23379 H2 TIP3 8022 81.075 31.055 -13.315 1.00 0.00 WT1 H ATOM 23380 OH2 TIP3 8023 75.471 42.443 -6.312 1.00 0.00 WT1 O ATOM 23381 H1 TIP3 8023 74.524 42.351 -6.202 1.00 0.00 WT1 H ATOM 23382 H2 TIP3 8023 75.712 41.735 -6.909 1.00 0.00 WT1 H ATOM 23383 OH2 TIP3 8024 79.319 49.179 49.680 1.00 0.00 WT1 O ATOM 23384 H1 TIP3 8024 78.376 49.338 49.636 1.00 0.00 WT1 H ATOM 23385 H2 TIP3 8024 79.695 49.792 49.048 1.00 0.00 WT1 H ATOM 23386 OH2 TIP3 8025 54.613 17.020 23.166 1.00 0.00 WT1 O ATOM 23387 H1 TIP3 8025 54.931 17.441 22.366 1.00 0.00 WT1 H ATOM 23388 H2 TIP3 8025 53.795 17.474 23.367 1.00 0.00 WT1 H ATOM 23389 OH2 TIP3 8026 31.611 21.465 27.675 1.00 0.00 WT1 O ATOM 23390 H1 TIP3 8026 31.251 21.926 28.432 1.00 0.00 WT1 H ATOM 23391 H2 TIP3 8026 31.631 22.123 26.980 1.00 0.00 WT1 H ATOM 23392 OH2 TIP3 8027 86.738 6.184 -0.101 1.00 0.00 WT1 O ATOM 23393 H1 TIP3 8027 87.544 5.830 0.274 1.00 0.00 WT1 H ATOM 23394 H2 TIP3 8027 86.146 6.277 0.646 1.00 0.00 WT1 H ATOM 23395 OH2 TIP3 8028 73.964 87.438 58.431 1.00 0.00 WT1 O ATOM 23396 H1 TIP3 8028 74.466 86.724 58.825 1.00 0.00 WT1 H ATOM 23397 H2 TIP3 8028 73.196 87.011 58.053 1.00 0.00 WT1 H ATOM 23398 OH2 TIP3 8029 49.004 71.334 -4.700 1.00 0.00 WT1 O ATOM 23399 H1 TIP3 8029 48.920 72.170 -4.240 1.00 0.00 WT1 H ATOM 23400 H2 TIP3 8029 49.903 71.330 -5.029 1.00 0.00 WT1 H ATOM 23401 OH2 TIP3 8030 59.957 71.809 60.139 1.00 0.00 WT1 O ATOM 23402 H1 TIP3 8030 60.695 71.224 59.965 1.00 0.00 WT1 H ATOM 23403 H2 TIP3 8030 59.688 71.597 61.033 1.00 0.00 WT1 H ATOM 23404 OH2 TIP3 8032 49.907 20.098 20.954 1.00 0.00 WT1 O ATOM 23405 H1 TIP3 8032 49.304 20.625 20.431 1.00 0.00 WT1 H ATOM 23406 H2 TIP3 8032 50.285 20.716 21.580 1.00 0.00 WT1 H ATOM 23407 OH2 TIP3 8033 66.327 49.726 37.076 1.00 0.00 WT1 O ATOM 23408 H1 TIP3 8033 66.851 50.520 36.969 1.00 0.00 WT1 H ATOM 23409 H2 TIP3 8033 65.480 49.944 36.688 1.00 0.00 WT1 H ATOM 23410 OH2 TIP3 8034 37.107 45.297 28.484 1.00 0.00 WT1 O ATOM 23411 H1 TIP3 8034 37.980 45.256 28.093 1.00 0.00 WT1 H ATOM 23412 H2 TIP3 8034 36.888 46.228 28.485 1.00 0.00 WT1 H ATOM 23413 OH2 TIP3 8035 30.607 1.027 45.778 1.00 0.00 WT1 O ATOM 23414 H1 TIP3 8035 31.490 1.107 46.138 1.00 0.00 WT1 H ATOM 23415 H2 TIP3 8035 30.369 1.919 45.525 1.00 0.00 WT1 H ATOM 23416 OH2 TIP3 8036 82.054 22.061 64.392 1.00 0.00 WT1 O ATOM 23417 H1 TIP3 8036 82.819 22.353 63.896 1.00 0.00 WT1 H ATOM 23418 H2 TIP3 8036 81.795 22.826 64.906 1.00 0.00 WT1 H ATOM 23419 OH2 TIP3 8037 62.088 29.549 12.788 1.00 0.00 WT1 O ATOM 23420 H1 TIP3 8037 61.460 29.800 13.464 1.00 0.00 WT1 H ATOM 23421 H2 TIP3 8037 62.234 28.613 12.930 1.00 0.00 WT1 H ATOM 23422 OH2 TIP3 8038 55.319 76.436 38.648 1.00 0.00 WT1 O ATOM 23423 H1 TIP3 8038 55.155 75.897 37.874 1.00 0.00 WT1 H ATOM 23424 H2 TIP3 8038 55.752 77.219 38.309 1.00 0.00 WT1 H ATOM 23425 OH2 TIP3 8039 35.741 88.753 14.573 1.00 0.00 WT1 O ATOM 23426 H1 TIP3 8039 35.301 89.131 15.334 1.00 0.00 WT1 H ATOM 23427 H2 TIP3 8039 36.107 87.929 14.893 1.00 0.00 WT1 H ATOM 23428 OH2 TIP3 8040 36.398 70.532 16.710 1.00 0.00 WT1 O ATOM 23429 H1 TIP3 8040 36.578 69.805 16.115 1.00 0.00 WT1 H ATOM 23430 H2 TIP3 8040 36.162 71.260 16.135 1.00 0.00 WT1 H ATOM 23431 OH2 TIP3 8041 46.154 43.410 34.401 1.00 0.00 WT1 O ATOM 23432 H1 TIP3 8041 45.205 43.529 34.435 1.00 0.00 WT1 H ATOM 23433 H2 TIP3 8041 46.276 42.462 34.350 1.00 0.00 WT1 H ATOM 23434 OH2 TIP3 8042 29.061 38.665 -1.161 1.00 0.00 WT1 O ATOM 23435 H1 TIP3 8042 28.849 39.333 -1.813 1.00 0.00 WT1 H ATOM 23436 H2 TIP3 8042 28.278 38.608 -0.612 1.00 0.00 WT1 H ATOM 23437 OH2 TIP3 8043 59.906 24.031 29.272 1.00 0.00 WT1 O ATOM 23438 H1 TIP3 8043 58.963 24.024 29.435 1.00 0.00 WT1 H ATOM 23439 H2 TIP3 8043 60.022 23.458 28.513 1.00 0.00 WT1 H ATOM 23440 OH2 TIP3 8044 88.604 35.644 -18.921 1.00 0.00 WT1 O ATOM 23441 H1 TIP3 8044 88.609 36.081 -18.070 1.00 0.00 WT1 H ATOM 23442 H2 TIP3 8044 89.304 36.071 -19.415 1.00 0.00 WT1 H ATOM 23443 OH2 TIP3 8045 90.266 28.874 -14.396 1.00 0.00 WT1 O ATOM 23444 H1 TIP3 8045 89.707 29.649 -14.333 1.00 0.00 WT1 H ATOM 23445 H2 TIP3 8045 89.710 28.152 -14.105 1.00 0.00 WT1 H ATOM 23446 OH2 TIP3 8046 63.419 6.690 28.551 1.00 0.00 WT1 O ATOM 23447 H1 TIP3 8046 63.215 7.521 28.121 1.00 0.00 WT1 H ATOM 23448 H2 TIP3 8046 63.677 6.938 29.439 1.00 0.00 WT1 H ATOM 23449 OH2 TIP3 8047 56.701 86.332 -19.034 1.00 0.00 WT1 O ATOM 23450 H1 TIP3 8047 57.471 86.273 -19.600 1.00 0.00 WT1 H ATOM 23451 H2 TIP3 8047 55.957 86.286 -19.636 1.00 0.00 WT1 H ATOM 23452 OH2 TIP3 8049 65.962 81.439 42.822 1.00 0.00 WT1 O ATOM 23453 H1 TIP3 8049 66.013 80.505 42.621 1.00 0.00 WT1 H ATOM 23454 H2 TIP3 8049 65.471 81.481 43.644 1.00 0.00 WT1 H ATOM 23455 OH2 TIP3 8050 65.815 25.735 -10.531 1.00 0.00 WT1 O ATOM 23456 H1 TIP3 8050 65.608 24.839 -10.799 1.00 0.00 WT1 H ATOM 23457 H2 TIP3 8050 65.167 25.940 -9.858 1.00 0.00 WT1 H ATOM 23458 OH2 TIP3 8051 78.563 64.602 28.831 1.00 0.00 WT1 O ATOM 23459 H1 TIP3 8051 79.396 64.967 29.128 1.00 0.00 WT1 H ATOM 23460 H2 TIP3 8051 77.978 64.697 29.583 1.00 0.00 WT1 H ATOM 23461 OH2 TIP3 8052 32.456 70.581 -12.669 1.00 0.00 WT1 O ATOM 23462 H1 TIP3 8052 32.936 71.061 -13.344 1.00 0.00 WT1 H ATOM 23463 H2 TIP3 8052 32.678 69.663 -12.823 1.00 0.00 WT1 H ATOM 23464 OH2 TIP3 8053 79.008 47.984 21.925 1.00 0.00 WT1 O ATOM 23465 H1 TIP3 8053 79.917 48.219 22.111 1.00 0.00 WT1 H ATOM 23466 H2 TIP3 8053 78.903 47.111 22.304 1.00 0.00 WT1 H ATOM 23467 OH2 TIP3 8054 81.213 83.919 35.037 1.00 0.00 WT1 O ATOM 23468 H1 TIP3 8054 80.314 84.151 35.268 1.00 0.00 WT1 H ATOM 23469 H2 TIP3 8054 81.620 84.750 34.792 1.00 0.00 WT1 H ATOM 23470 OH2 TIP3 8055 43.873 83.348 25.674 1.00 0.00 WT1 O ATOM 23471 H1 TIP3 8055 43.146 82.989 26.183 1.00 0.00 WT1 H ATOM 23472 H2 TIP3 8055 44.004 82.717 24.966 1.00 0.00 WT1 H ATOM 23473 OH2 TIP3 8056 35.193 43.394 29.384 1.00 0.00 WT1 O ATOM 23474 H1 TIP3 8056 35.246 42.441 29.307 1.00 0.00 WT1 H ATOM 23475 H2 TIP3 8056 35.826 43.722 28.746 1.00 0.00 WT1 H ATOM 23476 OH2 TIP3 8057 80.428 45.632 65.846 1.00 0.00 WT1 O ATOM 23477 H1 TIP3 8057 79.766 45.650 65.155 1.00 0.00 WT1 H ATOM 23478 H2 TIP3 8057 80.555 44.703 66.034 1.00 0.00 WT1 H ATOM 23479 OH2 TIP3 8058 24.979 65.841 15.889 1.00 0.00 WT1 O ATOM 23480 H1 TIP3 8058 25.708 65.892 16.507 1.00 0.00 WT1 H ATOM 23481 H2 TIP3 8058 25.340 66.166 15.064 1.00 0.00 WT1 H ATOM 23482 OH2 TIP3 8059 55.182 5.369 62.832 1.00 0.00 WT1 O ATOM 23483 H1 TIP3 8059 54.333 4.931 62.776 1.00 0.00 WT1 H ATOM 23484 H2 TIP3 8059 55.486 5.192 63.722 1.00 0.00 WT1 H ATOM 23485 OH2 TIP3 8060 62.394 33.443 53.481 1.00 0.00 WT1 O ATOM 23486 H1 TIP3 8060 62.393 33.698 54.404 1.00 0.00 WT1 H ATOM 23487 H2 TIP3 8060 61.889 34.127 53.043 1.00 0.00 WT1 H ATOM 23488 OH2 TIP3 8061 29.373 48.001 -13.799 1.00 0.00 WT1 O ATOM 23489 H1 TIP3 8061 28.920 48.805 -14.054 1.00 0.00 WT1 H ATOM 23490 H2 TIP3 8061 30.088 48.297 -13.236 1.00 0.00 WT1 H ATOM 23491 OH2 TIP3 8062 52.094 90.835 21.565 1.00 0.00 WT1 O ATOM 23492 H1 TIP3 8062 51.486 91.559 21.713 1.00 0.00 WT1 H ATOM 23493 H2 TIP3 8062 52.239 90.462 22.435 1.00 0.00 WT1 H ATOM 23494 OH2 TIP3 8063 64.332 78.395 41.483 1.00 0.00 WT1 O ATOM 23495 H1 TIP3 8063 63.867 77.702 41.015 1.00 0.00 WT1 H ATOM 23496 H2 TIP3 8063 65.238 78.321 41.183 1.00 0.00 WT1 H ATOM 23497 OH2 TIP3 8064 58.803 71.605 -13.442 1.00 0.00 WT1 O ATOM 23498 H1 TIP3 8064 59.457 71.234 -12.850 1.00 0.00 WT1 H ATOM 23499 H2 TIP3 8064 58.013 71.685 -12.907 1.00 0.00 WT1 H ATOM 23500 OH2 TIP3 8065 50.366 32.803 -3.093 1.00 0.00 WT1 O ATOM 23501 H1 TIP3 8065 49.826 32.626 -2.323 1.00 0.00 WT1 H ATOM 23502 H2 TIP3 8065 50.248 33.738 -3.260 1.00 0.00 WT1 H ATOM 23503 OH2 TIP3 8066 33.800 34.509 31.207 1.00 0.00 WT1 O ATOM 23504 H1 TIP3 8066 32.981 34.784 31.619 1.00 0.00 WT1 H ATOM 23505 H2 TIP3 8066 34.070 35.264 30.684 1.00 0.00 WT1 H ATOM 23506 OH2 TIP3 8067 73.387 40.605 7.413 1.00 0.00 WT1 O ATOM 23507 H1 TIP3 8067 74.025 41.073 7.952 1.00 0.00 WT1 H ATOM 23508 H2 TIP3 8067 72.785 40.208 8.044 1.00 0.00 WT1 H ATOM 23509 OH2 TIP3 8068 29.974 61.909 22.231 1.00 0.00 WT1 O ATOM 23510 H1 TIP3 8068 30.419 61.990 21.388 1.00 0.00 WT1 H ATOM 23511 H2 TIP3 8068 30.342 62.614 22.765 1.00 0.00 WT1 H ATOM 23512 OH2 TIP3 8069 72.481 21.969 10.583 1.00 0.00 WT1 O ATOM 23513 H1 TIP3 8069 71.665 22.450 10.720 1.00 0.00 WT1 H ATOM 23514 H2 TIP3 8069 72.764 22.221 9.705 1.00 0.00 WT1 H ATOM 23515 OH2 TIP3 8070 56.534 23.456 -14.400 1.00 0.00 WT1 O ATOM 23516 H1 TIP3 8070 56.550 24.413 -14.407 1.00 0.00 WT1 H ATOM 23517 H2 TIP3 8070 56.007 23.220 -15.164 1.00 0.00 WT1 H ATOM 23518 OH2 TIP3 8071 26.915 36.443 -19.288 1.00 0.00 WT1 O ATOM 23519 H1 TIP3 8071 27.652 37.021 -19.088 1.00 0.00 WT1 H ATOM 23520 H2 TIP3 8071 26.607 36.142 -18.433 1.00 0.00 WT1 H ATOM 23521 OH2 TIP3 8072 80.404 34.926 45.036 1.00 0.00 WT1 O ATOM 23522 H1 TIP3 8072 80.717 34.508 44.234 1.00 0.00 WT1 H ATOM 23523 H2 TIP3 8072 81.077 34.729 45.688 1.00 0.00 WT1 H ATOM 23524 OH2 TIP3 8073 65.695 37.525 32.875 1.00 0.00 WT1 O ATOM 23525 H1 TIP3 8073 64.862 37.824 32.512 1.00 0.00 WT1 H ATOM 23526 H2 TIP3 8073 65.750 37.948 33.732 1.00 0.00 WT1 H ATOM 23527 OH2 TIP3 8074 58.063 53.387 55.820 1.00 0.00 WT1 O ATOM 23528 H1 TIP3 8074 57.655 54.152 56.224 1.00 0.00 WT1 H ATOM 23529 H2 TIP3 8074 57.889 53.488 54.884 1.00 0.00 WT1 H ATOM 23530 OH2 TIP3 8075 35.016 63.835 -11.881 1.00 0.00 WT1 O ATOM 23531 H1 TIP3 8075 35.591 63.412 -11.244 1.00 0.00 WT1 H ATOM 23532 H2 TIP3 8075 34.131 63.639 -11.572 1.00 0.00 WT1 H ATOM 23533 OH2 TIP3 8076 43.427 44.210 28.803 1.00 0.00 WT1 O ATOM 23534 H1 TIP3 8076 44.258 43.836 28.511 1.00 0.00 WT1 H ATOM 23535 H2 TIP3 8076 43.192 44.838 28.120 1.00 0.00 WT1 H ATOM 23536 OH2 TIP3 8077 78.224 17.212 65.711 1.00 0.00 WT1 O ATOM 23537 H1 TIP3 8077 79.170 17.215 65.566 1.00 0.00 WT1 H ATOM 23538 H2 TIP3 8077 77.894 16.526 65.131 1.00 0.00 WT1 H ATOM 23539 OH2 TIP3 8078 84.926 59.971 35.742 1.00 0.00 WT1 O ATOM 23540 H1 TIP3 8078 84.681 59.069 35.537 1.00 0.00 WT1 H ATOM 23541 H2 TIP3 8078 84.092 60.432 35.832 1.00 0.00 WT1 H ATOM 23542 OH2 TIP3 8079 66.962 78.638 5.906 1.00 0.00 WT1 O ATOM 23543 H1 TIP3 8079 66.843 79.586 5.960 1.00 0.00 WT1 H ATOM 23544 H2 TIP3 8079 66.073 78.287 5.869 1.00 0.00 WT1 H ATOM 23545 OH2 TIP3 8080 69.426 45.812 25.283 1.00 0.00 WT1 O ATOM 23546 H1 TIP3 8080 69.226 45.609 24.369 1.00 0.00 WT1 H ATOM 23547 H2 TIP3 8080 68.650 45.532 25.767 1.00 0.00 WT1 H ATOM 23548 OH2 TIP3 8081 77.508 45.462 24.846 1.00 0.00 WT1 O ATOM 23549 H1 TIP3 8081 78.351 45.775 24.517 1.00 0.00 WT1 H ATOM 23550 H2 TIP3 8081 76.902 45.596 24.117 1.00 0.00 WT1 H ATOM 23551 OH2 TIP3 8082 42.018 14.970 64.003 1.00 0.00 WT1 O ATOM 23552 H1 TIP3 8082 41.218 15.402 64.300 1.00 0.00 WT1 H ATOM 23553 H2 TIP3 8082 41.943 14.955 63.049 1.00 0.00 WT1 H ATOM 23554 OH2 TIP3 8083 74.171 81.556 31.988 1.00 0.00 WT1 O ATOM 23555 H1 TIP3 8083 74.799 82.272 32.084 1.00 0.00 WT1 H ATOM 23556 H2 TIP3 8083 73.951 81.307 32.885 1.00 0.00 WT1 H ATOM 23557 OH2 TIP3 8084 58.126 26.946 32.162 1.00 0.00 WT1 O ATOM 23558 H1 TIP3 8084 58.648 26.151 32.268 1.00 0.00 WT1 H ATOM 23559 H2 TIP3 8084 58.709 27.557 31.713 1.00 0.00 WT1 H ATOM 23560 OH2 TIP3 8085 63.717 23.969 13.947 1.00 0.00 WT1 O ATOM 23561 H1 TIP3 8085 63.006 24.021 13.309 1.00 0.00 WT1 H ATOM 23562 H2 TIP3 8085 63.298 23.660 14.750 1.00 0.00 WT1 H ATOM 23563 OH2 TIP3 8086 65.887 95.999 65.922 1.00 0.00 WT1 O ATOM 23564 H1 TIP3 8086 65.005 96.097 65.564 1.00 0.00 WT1 H ATOM 23565 H2 TIP3 8086 66.096 96.861 66.284 1.00 0.00 WT1 H ATOM 23566 OH2 TIP3 8087 68.281 44.700 42.103 1.00 0.00 WT1 O ATOM 23567 H1 TIP3 8087 68.895 44.799 42.830 1.00 0.00 WT1 H ATOM 23568 H2 TIP3 8087 68.666 45.213 41.392 1.00 0.00 WT1 H ATOM 23569 OH2 TIP3 8088 32.352 87.086 -5.385 1.00 0.00 WT1 O ATOM 23570 H1 TIP3 8088 31.826 87.460 -6.092 1.00 0.00 WT1 H ATOM 23571 H2 TIP3 8088 33.017 86.563 -5.831 1.00 0.00 WT1 H ATOM 23572 OH2 TIP3 8089 26.005 22.102 39.701 1.00 0.00 WT1 O ATOM 23573 H1 TIP3 8089 26.170 22.932 40.148 1.00 0.00 WT1 H ATOM 23574 H2 TIP3 8089 25.345 21.666 40.240 1.00 0.00 WT1 H ATOM 23575 OH2 TIP3 8090 82.061 37.602 -16.278 1.00 0.00 WT1 O ATOM 23576 H1 TIP3 8090 81.298 37.215 -16.707 1.00 0.00 WT1 H ATOM 23577 H2 TIP3 8090 81.802 38.505 -16.096 1.00 0.00 WT1 H ATOM 23578 OH2 TIP3 8091 47.604 45.714 12.179 1.00 0.00 WT1 O ATOM 23579 H1 TIP3 8091 47.834 44.790 12.278 1.00 0.00 WT1 H ATOM 23580 H2 TIP3 8091 47.192 45.949 13.010 1.00 0.00 WT1 H ATOM 23581 OH2 TIP3 8092 28.256 73.158 9.806 1.00 0.00 WT1 O ATOM 23582 H1 TIP3 8092 27.958 72.486 9.193 1.00 0.00 WT1 H ATOM 23583 H2 TIP3 8092 27.876 72.901 10.646 1.00 0.00 WT1 H ATOM 23584 OH2 TIP3 8093 60.812 6.998 26.224 1.00 0.00 WT1 O ATOM 23585 H1 TIP3 8093 60.824 6.042 26.191 1.00 0.00 WT1 H ATOM 23586 H2 TIP3 8093 59.923 7.236 25.961 1.00 0.00 WT1 H ATOM 23587 OH2 TIP3 8094 20.849 70.540 26.561 1.00 0.00 WT1 O ATOM 23588 H1 TIP3 8094 20.025 70.097 26.763 1.00 0.00 WT1 H ATOM 23589 H2 TIP3 8094 21.360 69.889 26.079 1.00 0.00 WT1 H ATOM 23590 OH2 TIP3 8095 32.403 73.375 23.692 1.00 0.00 WT1 O ATOM 23591 H1 TIP3 8095 32.732 73.678 22.846 1.00 0.00 WT1 H ATOM 23592 H2 TIP3 8095 31.588 72.918 23.483 1.00 0.00 WT1 H ATOM 23593 OH2 TIP3 8096 84.786 63.241 44.040 1.00 0.00 WT1 O ATOM 23594 H1 TIP3 8096 84.876 62.888 43.155 1.00 0.00 WT1 H ATOM 23595 H2 TIP3 8096 85.272 62.629 44.593 1.00 0.00 WT1 H ATOM 23596 OH2 TIP3 8097 45.436 96.654 58.797 1.00 0.00 WT1 O ATOM 23597 H1 TIP3 8097 45.576 95.735 58.572 1.00 0.00 WT1 H ATOM 23598 H2 TIP3 8097 46.111 96.848 59.447 1.00 0.00 WT1 H ATOM 23599 OH2 TIP3 8098 77.517 40.303 56.355 1.00 0.00 WT1 O ATOM 23600 H1 TIP3 8098 76.593 40.067 56.436 1.00 0.00 WT1 H ATOM 23601 H2 TIP3 8098 77.638 40.482 55.422 1.00 0.00 WT1 H ATOM 23602 OH2 TIP3 8099 26.689 87.652 34.411 1.00 0.00 WT1 O ATOM 23603 H1 TIP3 8099 26.611 87.364 35.321 1.00 0.00 WT1 H ATOM 23604 H2 TIP3 8099 26.527 86.863 33.895 1.00 0.00 WT1 H ATOM 23605 OH2 TIP3 8100 83.398 43.384 41.806 1.00 0.00 WT1 O ATOM 23606 H1 TIP3 8100 82.472 43.606 41.904 1.00 0.00 WT1 H ATOM 23607 H2 TIP3 8100 83.814 43.742 42.590 1.00 0.00 WT1 H ATOM 23608 OH2 TIP3 8101 50.526 36.604 -15.706 1.00 0.00 WT1 O ATOM 23609 H1 TIP3 8101 49.895 35.970 -15.366 1.00 0.00 WT1 H ATOM 23610 H2 TIP3 8101 50.925 36.166 -16.458 1.00 0.00 WT1 H ATOM 23611 OH2 TIP3 8102 69.739 17.220 -5.940 1.00 0.00 WT1 O ATOM 23612 H1 TIP3 8102 70.121 16.918 -5.116 1.00 0.00 WT1 H ATOM 23613 H2 TIP3 8102 69.339 18.063 -5.724 1.00 0.00 WT1 H ATOM 23614 OH2 TIP3 8103 63.482 67.145 -1.939 1.00 0.00 WT1 O ATOM 23615 H1 TIP3 8103 62.659 66.787 -2.271 1.00 0.00 WT1 H ATOM 23616 H2 TIP3 8103 64.162 66.646 -2.393 1.00 0.00 WT1 H ATOM 23617 OH2 TIP3 8104 72.738 82.140 29.675 1.00 0.00 WT1 O ATOM 23618 H1 TIP3 8104 72.351 81.360 29.278 1.00 0.00 WT1 H ATOM 23619 H2 TIP3 8104 73.010 81.855 30.547 1.00 0.00 WT1 H ATOM 23620 OH2 TIP3 8105 69.129 43.349 20.467 1.00 0.00 WT1 O ATOM 23621 H1 TIP3 8105 69.350 44.011 21.122 1.00 0.00 WT1 H ATOM 23622 H2 TIP3 8105 68.172 43.346 20.442 1.00 0.00 WT1 H ATOM 23623 OH2 TIP3 8106 68.585 24.826 3.997 1.00 0.00 WT1 O ATOM 23624 H1 TIP3 8106 67.718 25.111 3.710 1.00 0.00 WT1 H ATOM 23625 H2 TIP3 8106 68.549 24.873 4.953 1.00 0.00 WT1 H ATOM 23626 OH2 TIP3 8107 33.596 23.783 58.486 1.00 0.00 WT1 O ATOM 23627 H1 TIP3 8107 34.461 24.171 58.352 1.00 0.00 WT1 H ATOM 23628 H2 TIP3 8107 32.983 24.453 58.184 1.00 0.00 WT1 H ATOM 23629 OH2 TIP3 8108 33.693 39.381 51.560 1.00 0.00 WT1 O ATOM 23630 H1 TIP3 8108 34.421 39.983 51.714 1.00 0.00 WT1 H ATOM 23631 H2 TIP3 8108 32.938 39.950 51.412 1.00 0.00 WT1 H ATOM 23632 OH2 TIP3 8109 34.652 4.222 50.487 1.00 0.00 WT1 O ATOM 23633 H1 TIP3 8109 34.260 4.865 49.897 1.00 0.00 WT1 H ATOM 23634 H2 TIP3 8109 35.584 4.438 50.493 1.00 0.00 WT1 H ATOM 23635 OH2 TIP3 8110 22.042 29.173 38.113 1.00 0.00 WT1 O ATOM 23636 H1 TIP3 8110 22.153 29.043 37.171 1.00 0.00 WT1 H ATOM 23637 H2 TIP3 8110 22.265 30.093 38.256 1.00 0.00 WT1 H ATOM 23638 OH2 TIP3 8111 83.897 30.250 41.795 1.00 0.00 WT1 O ATOM 23639 H1 TIP3 8111 83.031 30.457 41.444 1.00 0.00 WT1 H ATOM 23640 H2 TIP3 8111 84.037 30.897 42.486 1.00 0.00 WT1 H ATOM 23641 OH2 TIP3 8112 52.342 91.299 35.293 1.00 0.00 WT1 O ATOM 23642 H1 TIP3 8112 51.891 91.799 34.614 1.00 0.00 WT1 H ATOM 23643 H2 TIP3 8112 51.707 91.235 36.006 1.00 0.00 WT1 H ATOM 23644 OH2 TIP3 8113 29.892 22.001 43.176 1.00 0.00 WT1 O ATOM 23645 H1 TIP3 8113 30.295 22.306 42.363 1.00 0.00 WT1 H ATOM 23646 H2 TIP3 8113 30.382 22.443 43.869 1.00 0.00 WT1 H ATOM 23647 OH2 TIP3 8114 47.202 89.312 26.328 1.00 0.00 WT1 O ATOM 23648 H1 TIP3 8114 47.088 89.395 25.381 1.00 0.00 WT1 H ATOM 23649 H2 TIP3 8114 47.973 88.754 26.429 1.00 0.00 WT1 H ATOM 23650 OH2 TIP3 8116 51.883 13.814 -7.618 1.00 0.00 WT1 O ATOM 23651 H1 TIP3 8116 51.190 13.186 -7.412 1.00 0.00 WT1 H ATOM 23652 H2 TIP3 8116 52.497 13.743 -6.886 1.00 0.00 WT1 H ATOM 23653 OH2 TIP3 8117 28.668 61.980 59.872 1.00 0.00 WT1 O ATOM 23654 H1 TIP3 8117 29.588 61.731 59.791 1.00 0.00 WT1 H ATOM 23655 H2 TIP3 8117 28.253 61.231 60.299 1.00 0.00 WT1 H ATOM 23656 OH2 TIP3 8118 84.526 30.371 0.643 1.00 0.00 WT1 O ATOM 23657 H1 TIP3 8118 84.022 30.235 -0.160 1.00 0.00 WT1 H ATOM 23658 H2 TIP3 8118 84.541 29.511 1.064 1.00 0.00 WT1 H ATOM 23659 OH2 TIP3 8119 70.714 34.809 6.032 1.00 0.00 WT1 O ATOM 23660 H1 TIP3 8119 69.919 35.192 5.660 1.00 0.00 WT1 H ATOM 23661 H2 TIP3 8119 70.760 35.165 6.919 1.00 0.00 WT1 H ATOM 23662 OH2 TIP3 8120 41.503 73.098 17.093 1.00 0.00 WT1 O ATOM 23663 H1 TIP3 8120 42.105 72.403 16.824 1.00 0.00 WT1 H ATOM 23664 H2 TIP3 8120 42.050 73.881 17.150 1.00 0.00 WT1 H ATOM 23665 OH2 TIP3 8121 55.191 38.195 51.735 1.00 0.00 WT1 O ATOM 23666 H1 TIP3 8121 55.206 39.143 51.869 1.00 0.00 WT1 H ATOM 23667 H2 TIP3 8121 55.652 38.063 50.906 1.00 0.00 WT1 H ATOM 23668 OH2 TIP3 8122 64.182 44.621 -10.470 1.00 0.00 WT1 O ATOM 23669 H1 TIP3 8122 63.424 44.776 -11.034 1.00 0.00 WT1 H ATOM 23670 H2 TIP3 8122 64.492 43.750 -10.718 1.00 0.00 WT1 H ATOM 23671 OH2 TIP3 8123 78.518 24.055 64.767 1.00 0.00 WT1 O ATOM 23672 H1 TIP3 8123 77.676 24.344 65.120 1.00 0.00 WT1 H ATOM 23673 H2 TIP3 8123 79.162 24.630 65.180 1.00 0.00 WT1 H ATOM 23674 OH2 TIP3 8124 36.037 30.078 61.640 1.00 0.00 WT1 O ATOM 23675 H1 TIP3 8124 35.150 30.415 61.763 1.00 0.00 WT1 H ATOM 23676 H2 TIP3 8124 36.170 29.478 62.374 1.00 0.00 WT1 H ATOM 23677 OH2 TIP3 8125 26.651 95.434 14.833 1.00 0.00 WT1 O ATOM 23678 H1 TIP3 8125 27.355 94.880 14.495 1.00 0.00 WT1 H ATOM 23679 H2 TIP3 8125 27.082 96.258 15.060 1.00 0.00 WT1 H ATOM 23680 OH2 TIP3 8126 87.633 14.085 64.782 1.00 0.00 WT1 O ATOM 23681 H1 TIP3 8126 86.962 13.423 64.947 1.00 0.00 WT1 H ATOM 23682 H2 TIP3 8126 88.298 13.926 65.452 1.00 0.00 WT1 H ATOM 23683 OH2 TIP3 8127 28.921 26.400 7.127 1.00 0.00 WT1 O ATOM 23684 H1 TIP3 8127 28.735 25.538 6.756 1.00 0.00 WT1 H ATOM 23685 H2 TIP3 8127 28.446 26.412 7.958 1.00 0.00 WT1 H ATOM 23686 OH2 TIP3 8128 90.472 41.859 9.996 1.00 0.00 WT1 O ATOM 23687 H1 TIP3 8128 89.807 41.816 9.309 1.00 0.00 WT1 H ATOM 23688 H2 TIP3 8128 90.975 42.648 9.794 1.00 0.00 WT1 H ATOM 23689 OH2 TIP3 8129 70.975 31.774 34.701 1.00 0.00 WT1 O ATOM 23690 H1 TIP3 8129 71.837 31.553 35.055 1.00 0.00 WT1 H ATOM 23691 H2 TIP3 8129 71.092 32.638 34.307 1.00 0.00 WT1 H ATOM 23692 OH2 TIP3 8130 20.652 74.989 41.966 1.00 0.00 WT1 O ATOM 23693 H1 TIP3 8130 21.094 75.539 41.319 1.00 0.00 WT1 H ATOM 23694 H2 TIP3 8130 20.563 74.138 41.537 1.00 0.00 WT1 H ATOM 23695 OH2 TIP3 8131 80.593 29.495 64.486 1.00 0.00 WT1 O ATOM 23696 H1 TIP3 8131 80.574 30.401 64.179 1.00 0.00 WT1 H ATOM 23697 H2 TIP3 8131 80.494 29.561 65.436 1.00 0.00 WT1 H ATOM 23698 OH2 TIP3 8132 65.144 40.873 31.333 1.00 0.00 WT1 O ATOM 23699 H1 TIP3 8132 65.115 41.066 30.396 1.00 0.00 WT1 H ATOM 23700 H2 TIP3 8132 64.475 41.440 31.717 1.00 0.00 WT1 H ATOM 23701 OH2 TIP3 8133 63.252 6.156 -12.349 1.00 0.00 WT1 O ATOM 23702 H1 TIP3 8133 64.188 6.359 -12.362 1.00 0.00 WT1 H ATOM 23703 H2 TIP3 8133 62.993 6.274 -11.436 1.00 0.00 WT1 H ATOM 23704 OH2 TIP3 8134 53.838 43.598 -3.568 1.00 0.00 WT1 O ATOM 23705 H1 TIP3 8134 53.235 44.274 -3.259 1.00 0.00 WT1 H ATOM 23706 H2 TIP3 8134 54.208 43.222 -2.769 1.00 0.00 WT1 H ATOM 23707 OH2 TIP3 8135 74.394 64.614 18.664 1.00 0.00 WT1 O ATOM 23708 H1 TIP3 8135 73.516 64.985 18.746 1.00 0.00 WT1 H ATOM 23709 H2 TIP3 8135 74.689 64.885 17.794 1.00 0.00 WT1 H ATOM 23710 OH2 TIP3 8136 80.384 91.726 -12.103 1.00 0.00 WT1 O ATOM 23711 H1 TIP3 8136 80.765 91.207 -12.811 1.00 0.00 WT1 H ATOM 23712 H2 TIP3 8136 81.038 92.401 -11.921 1.00 0.00 WT1 H ATOM 23713 OH2 TIP3 8137 85.380 55.239 50.257 1.00 0.00 WT1 O ATOM 23714 H1 TIP3 8137 86.283 55.439 50.010 1.00 0.00 WT1 H ATOM 23715 H2 TIP3 8137 84.890 56.032 50.040 1.00 0.00 WT1 H ATOM 23716 OH2 TIP3 8138 37.848 75.240 59.308 1.00 0.00 WT1 O ATOM 23717 H1 TIP3 8138 38.164 75.315 58.407 1.00 0.00 WT1 H ATOM 23718 H2 TIP3 8138 37.954 74.313 59.523 1.00 0.00 WT1 H ATOM 23719 OH2 TIP3 8139 63.574 9.344 35.286 1.00 0.00 WT1 O ATOM 23720 H1 TIP3 8139 63.568 9.540 34.349 1.00 0.00 WT1 H ATOM 23721 H2 TIP3 8139 64.500 9.357 35.528 1.00 0.00 WT1 H ATOM 23722 OH2 TIP3 8140 36.499 27.790 41.418 1.00 0.00 WT1 O ATOM 23723 H1 TIP3 8140 35.715 27.243 41.394 1.00 0.00 WT1 H ATOM 23724 H2 TIP3 8140 37.035 27.475 40.690 1.00 0.00 WT1 H ATOM 23725 OH2 TIP3 8141 40.619 81.259 39.510 1.00 0.00 WT1 O ATOM 23726 H1 TIP3 8141 40.955 80.411 39.799 1.00 0.00 WT1 H ATOM 23727 H2 TIP3 8141 40.441 81.142 38.577 1.00 0.00 WT1 H ATOM 23728 OH2 TIP3 8142 77.852 38.411 -8.769 1.00 0.00 WT1 O ATOM 23729 H1 TIP3 8142 77.901 37.495 -8.494 1.00 0.00 WT1 H ATOM 23730 H2 TIP3 8142 78.692 38.786 -8.505 1.00 0.00 WT1 H ATOM 23731 OH2 TIP3 8143 82.044 18.463 40.387 1.00 0.00 WT1 O ATOM 23732 H1 TIP3 8143 82.557 17.929 39.781 1.00 0.00 WT1 H ATOM 23733 H2 TIP3 8143 82.212 19.365 40.113 1.00 0.00 WT1 H ATOM 23734 OH2 TIP3 8144 21.388 13.347 6.777 1.00 0.00 WT1 O ATOM 23735 H1 TIP3 8144 21.626 14.205 6.424 1.00 0.00 WT1 H ATOM 23736 H2 TIP3 8144 21.655 13.383 7.695 1.00 0.00 WT1 H ATOM 23737 OH2 TIP3 8145 60.129 63.337 39.544 1.00 0.00 WT1 O ATOM 23738 H1 TIP3 8145 60.173 62.382 39.497 1.00 0.00 WT1 H ATOM 23739 H2 TIP3 8145 59.279 63.557 39.164 1.00 0.00 WT1 H ATOM 23740 OH2 TIP3 8146 39.659 13.195 12.686 1.00 0.00 WT1 O ATOM 23741 H1 TIP3 8146 39.340 12.586 13.352 1.00 0.00 WT1 H ATOM 23742 H2 TIP3 8146 39.767 12.658 11.902 1.00 0.00 WT1 H ATOM 23743 OH2 TIP3 8147 33.097 87.719 52.509 1.00 0.00 WT1 O ATOM 23744 H1 TIP3 8147 32.207 88.002 52.300 1.00 0.00 WT1 H ATOM 23745 H2 TIP3 8147 33.485 88.466 52.966 1.00 0.00 WT1 H ATOM 23746 OH2 TIP3 8148 74.637 45.395 -14.769 1.00 0.00 WT1 O ATOM 23747 H1 TIP3 8148 74.116 46.122 -14.426 1.00 0.00 WT1 H ATOM 23748 H2 TIP3 8148 74.861 44.875 -13.998 1.00 0.00 WT1 H ATOM 23749 OH2 TIP3 8149 46.731 32.865 59.746 1.00 0.00 WT1 O ATOM 23750 H1 TIP3 8149 47.622 33.206 59.669 1.00 0.00 WT1 H ATOM 23751 H2 TIP3 8149 46.758 32.293 60.513 1.00 0.00 WT1 H ATOM 23752 OH2 TIP3 8150 62.729 82.138 -3.804 1.00 0.00 WT1 O ATOM 23753 H1 TIP3 8150 63.186 81.435 -4.265 1.00 0.00 WT1 H ATOM 23754 H2 TIP3 8150 62.248 82.602 -4.489 1.00 0.00 WT1 H ATOM 23755 OH2 TIP3 8151 69.323 75.208 44.305 1.00 0.00 WT1 O ATOM 23756 H1 TIP3 8151 69.782 74.560 43.771 1.00 0.00 WT1 H ATOM 23757 H2 TIP3 8151 69.467 76.038 43.851 1.00 0.00 WT1 H ATOM 23758 OH2 TIP3 8152 64.434 44.725 42.094 1.00 0.00 WT1 O ATOM 23759 H1 TIP3 8152 64.168 44.545 41.193 1.00 0.00 WT1 H ATOM 23760 H2 TIP3 8152 65.289 45.149 42.012 1.00 0.00 WT1 H ATOM 23761 OH2 TIP3 8153 76.581 20.994 10.802 1.00 0.00 WT1 O ATOM 23762 H1 TIP3 8153 75.770 20.559 11.066 1.00 0.00 WT1 H ATOM 23763 H2 TIP3 8153 76.806 21.554 11.545 1.00 0.00 WT1 H ATOM 23764 OH2 TIP3 8154 82.339 28.246 39.984 1.00 0.00 WT1 O ATOM 23765 H1 TIP3 8154 82.174 27.645 39.258 1.00 0.00 WT1 H ATOM 23766 H2 TIP3 8154 83.123 28.730 39.723 1.00 0.00 WT1 H ATOM 23767 OH2 TIP3 8155 29.288 24.823 20.759 1.00 0.00 WT1 O ATOM 23768 H1 TIP3 8155 28.434 25.064 21.118 1.00 0.00 WT1 H ATOM 23769 H2 TIP3 8155 29.357 23.881 20.914 1.00 0.00 WT1 H ATOM 23770 OH2 TIP3 8156 60.210 32.753 13.611 1.00 0.00 WT1 O ATOM 23771 H1 TIP3 8156 59.411 32.225 13.595 1.00 0.00 WT1 H ATOM 23772 H2 TIP3 8156 60.306 33.070 12.713 1.00 0.00 WT1 H ATOM 23773 OH2 TIP3 8157 63.953 56.417 -6.452 1.00 0.00 WT1 O ATOM 23774 H1 TIP3 8157 63.694 56.301 -5.538 1.00 0.00 WT1 H ATOM 23775 H2 TIP3 8157 64.764 55.916 -6.538 1.00 0.00 WT1 H ATOM 23776 OH2 TIP3 8158 24.366 35.271 -15.309 1.00 0.00 WT1 O ATOM 23777 H1 TIP3 8158 24.880 35.001 -16.069 1.00 0.00 WT1 H ATOM 23778 H2 TIP3 8158 24.947 35.128 -14.562 1.00 0.00 WT1 H ATOM 23779 OH2 TIP3 8159 46.412 10.148 41.420 1.00 0.00 WT1 O ATOM 23780 H1 TIP3 8159 46.465 9.217 41.633 1.00 0.00 WT1 H ATOM 23781 H2 TIP3 8159 47.288 10.372 41.104 1.00 0.00 WT1 H ATOM 23782 OH2 TIP3 8160 58.326 44.807 -19.794 1.00 0.00 WT1 O ATOM 23783 H1 TIP3 8160 59.197 44.859 -20.187 1.00 0.00 WT1 H ATOM 23784 H2 TIP3 8160 58.056 45.719 -19.687 1.00 0.00 WT1 H ATOM 23785 OH2 TIP3 8162 60.698 10.279 31.009 1.00 0.00 WT1 O ATOM 23786 H1 TIP3 8162 60.467 9.360 30.876 1.00 0.00 WT1 H ATOM 23787 H2 TIP3 8162 60.038 10.766 30.516 1.00 0.00 WT1 H ATOM 23788 OH2 TIP3 8163 71.030 23.209 17.867 1.00 0.00 WT1 O ATOM 23789 H1 TIP3 8163 70.254 22.869 17.420 1.00 0.00 WT1 H ATOM 23790 H2 TIP3 8163 70.899 24.157 17.888 1.00 0.00 WT1 H ATOM 23791 OH2 TIP3 8164 67.833 30.797 62.355 1.00 0.00 WT1 O ATOM 23792 H1 TIP3 8164 68.536 30.651 62.989 1.00 0.00 WT1 H ATOM 23793 H2 TIP3 8164 67.397 31.593 62.659 1.00 0.00 WT1 H ATOM 23794 OH2 TIP3 8165 64.914 16.567 -7.499 1.00 0.00 WT1 O ATOM 23795 H1 TIP3 8165 65.071 16.571 -6.555 1.00 0.00 WT1 H ATOM 23796 H2 TIP3 8165 64.029 16.216 -7.595 1.00 0.00 WT1 H ATOM 23797 OH2 TIP3 8166 34.233 45.458 -17.176 1.00 0.00 WT1 O ATOM 23798 H1 TIP3 8166 33.996 45.146 -16.303 1.00 0.00 WT1 H ATOM 23799 H2 TIP3 8166 35.188 45.509 -17.161 1.00 0.00 WT1 H ATOM 23800 OH2 TIP3 8167 27.818 29.737 21.293 1.00 0.00 WT1 O ATOM 23801 H1 TIP3 8167 27.695 29.001 20.693 1.00 0.00 WT1 H ATOM 23802 H2 TIP3 8167 27.129 30.358 21.056 1.00 0.00 WT1 H ATOM 23803 OH2 TIP3 8168 65.321 74.708 -18.043 1.00 0.00 WT1 O ATOM 23804 H1 TIP3 8168 64.386 74.770 -18.241 1.00 0.00 WT1 H ATOM 23805 H2 TIP3 8168 65.682 74.179 -18.754 1.00 0.00 WT1 H ATOM 23806 OH2 TIP3 8169 36.753 6.773 -2.847 1.00 0.00 WT1 O ATOM 23807 H1 TIP3 8169 36.775 6.003 -2.280 1.00 0.00 WT1 H ATOM 23808 H2 TIP3 8169 35.821 6.929 -3.004 1.00 0.00 WT1 H ATOM 23809 OH2 TIP3 8170 74.859 50.301 4.088 1.00 0.00 WT1 O ATOM 23810 H1 TIP3 8170 74.189 49.795 4.547 1.00 0.00 WT1 H ATOM 23811 H2 TIP3 8170 75.512 50.499 4.759 1.00 0.00 WT1 H ATOM 23812 OH2 TIP3 8171 34.823 58.125 64.132 1.00 0.00 WT1 O ATOM 23813 H1 TIP3 8171 33.928 58.056 63.800 1.00 0.00 WT1 H ATOM 23814 H2 TIP3 8171 34.725 58.488 65.013 1.00 0.00 WT1 H ATOM 23815 OH2 TIP3 8172 78.880 27.413 -5.371 1.00 0.00 WT1 O ATOM 23816 H1 TIP3 8172 79.577 28.014 -5.108 1.00 0.00 WT1 H ATOM 23817 H2 TIP3 8172 79.336 26.686 -5.794 1.00 0.00 WT1 H ATOM 23818 OH2 TIP3 8173 76.604 57.570 64.374 1.00 0.00 WT1 O ATOM 23819 H1 TIP3 8173 76.961 57.233 65.196 1.00 0.00 WT1 H ATOM 23820 H2 TIP3 8173 75.672 57.351 64.410 1.00 0.00 WT1 H ATOM 23821 OH2 TIP3 8174 29.756 13.974 12.591 1.00 0.00 WT1 O ATOM 23822 H1 TIP3 8174 29.079 14.116 11.930 1.00 0.00 WT1 H ATOM 23823 H2 TIP3 8174 29.878 14.833 12.997 1.00 0.00 WT1 H ATOM 23824 OH2 TIP3 8175 46.810 22.564 -10.395 1.00 0.00 WT1 O ATOM 23825 H1 TIP3 8175 46.486 21.664 -10.406 1.00 0.00 WT1 H ATOM 23826 H2 TIP3 8175 46.688 22.852 -9.491 1.00 0.00 WT1 H ATOM 23827 OH2 TIP3 8176 86.169 58.657 52.751 1.00 0.00 WT1 O ATOM 23828 H1 TIP3 8176 85.253 58.431 52.918 1.00 0.00 WT1 H ATOM 23829 H2 TIP3 8176 86.253 58.626 51.798 1.00 0.00 WT1 H ATOM 23830 OH2 TIP3 8177 68.388 29.358 37.658 1.00 0.00 WT1 O ATOM 23831 H1 TIP3 8177 69.067 29.999 37.867 1.00 0.00 WT1 H ATOM 23832 H2 TIP3 8177 68.869 28.594 37.338 1.00 0.00 WT1 H ATOM 23833 OH2 TIP3 8178 47.084 91.137 40.670 1.00 0.00 WT1 O ATOM 23834 H1 TIP3 8178 47.804 91.690 40.366 1.00 0.00 WT1 H ATOM 23835 H2 TIP3 8178 46.474 91.111 39.933 1.00 0.00 WT1 H ATOM 23836 OH2 TIP3 8179 89.230 63.983 66.149 1.00 0.00 WT1 O ATOM 23837 H1 TIP3 8179 89.199 63.199 65.600 1.00 0.00 WT1 H ATOM 23838 H2 TIP3 8179 88.457 63.914 66.709 1.00 0.00 WT1 H ATOM 23839 OH2 TIP3 8180 30.519 31.467 11.293 1.00 0.00 WT1 O ATOM 23840 H1 TIP3 8180 30.917 31.801 10.489 1.00 0.00 WT1 H ATOM 23841 H2 TIP3 8180 31.262 31.256 11.859 1.00 0.00 WT1 H ATOM 23842 OH2 TIP3 8181 61.234 52.514 -11.504 1.00 0.00 WT1 O ATOM 23843 H1 TIP3 8181 61.158 51.902 -10.773 1.00 0.00 WT1 H ATOM 23844 H2 TIP3 8181 62.138 52.828 -11.462 1.00 0.00 WT1 H ATOM 23845 OH2 TIP3 8182 35.449 93.759 43.989 1.00 0.00 WT1 O ATOM 23846 H1 TIP3 8182 35.348 93.905 44.929 1.00 0.00 WT1 H ATOM 23847 H2 TIP3 8182 34.553 93.719 43.654 1.00 0.00 WT1 H ATOM 23848 OH2 TIP3 8183 78.369 38.706 50.586 1.00 0.00 WT1 O ATOM 23849 H1 TIP3 8183 77.570 38.184 50.669 1.00 0.00 WT1 H ATOM 23850 H2 TIP3 8183 79.038 38.194 51.039 1.00 0.00 WT1 H ATOM 23851 OH2 TIP3 8184 33.029 9.572 -14.388 1.00 0.00 WT1 O ATOM 23852 H1 TIP3 8184 32.999 10.025 -15.231 1.00 0.00 WT1 H ATOM 23853 H2 TIP3 8184 33.783 9.954 -13.938 1.00 0.00 WT1 H ATOM 23854 OH2 TIP3 8185 79.573 73.853 41.849 1.00 0.00 WT1 O ATOM 23855 H1 TIP3 8185 80.398 73.518 42.201 1.00 0.00 WT1 H ATOM 23856 H2 TIP3 8185 79.670 73.782 40.900 1.00 0.00 WT1 H ATOM 23857 OH2 TIP3 8186 88.879 36.798 20.586 1.00 0.00 WT1 O ATOM 23858 H1 TIP3 8186 88.591 37.709 20.519 1.00 0.00 WT1 H ATOM 23859 H2 TIP3 8186 88.271 36.313 20.027 1.00 0.00 WT1 H ATOM 23860 OH2 TIP3 8187 91.042 47.107 -2.205 1.00 0.00 WT1 O ATOM 23861 H1 TIP3 8187 90.422 47.531 -2.798 1.00 0.00 WT1 H ATOM 23862 H2 TIP3 8187 90.573 47.046 -1.372 1.00 0.00 WT1 H ATOM 23863 OH2 TIP3 8188 54.726 40.302 42.957 1.00 0.00 WT1 O ATOM 23864 H1 TIP3 8188 54.111 40.344 42.225 1.00 0.00 WT1 H ATOM 23865 H2 TIP3 8188 55.508 39.889 42.590 1.00 0.00 WT1 H ATOM 23866 OH2 TIP3 8189 21.106 5.804 -9.834 1.00 0.00 WT1 O ATOM 23867 H1 TIP3 8189 20.730 6.421 -10.461 1.00 0.00 WT1 H ATOM 23868 H2 TIP3 8189 20.456 5.747 -9.133 1.00 0.00 WT1 H ATOM 23869 OH2 TIP3 8190 51.912 96.235 5.080 1.00 0.00 WT1 O ATOM 23870 H1 TIP3 8190 52.706 96.140 5.605 1.00 0.00 WT1 H ATOM 23871 H2 TIP3 8190 51.667 95.339 4.850 1.00 0.00 WT1 H ATOM 23872 OH2 TIP3 8192 86.169 72.459 -8.379 1.00 0.00 WT1 O ATOM 23873 H1 TIP3 8192 85.708 71.637 -8.549 1.00 0.00 WT1 H ATOM 23874 H2 TIP3 8192 85.493 73.048 -8.044 1.00 0.00 WT1 H ATOM 23875 OH2 TIP3 8193 71.612 5.854 -2.533 1.00 0.00 WT1 O ATOM 23876 H1 TIP3 8193 72.095 6.618 -2.848 1.00 0.00 WT1 H ATOM 23877 H2 TIP3 8193 71.450 5.332 -3.319 1.00 0.00 WT1 H ATOM 23878 OH2 TIP3 8194 72.800 62.228 12.198 1.00 0.00 WT1 O ATOM 23879 H1 TIP3 8194 72.873 61.478 12.788 1.00 0.00 WT1 H ATOM 23880 H2 TIP3 8194 71.895 62.524 12.297 1.00 0.00 WT1 H ATOM 23881 OH2 TIP3 8195 65.551 30.950 24.858 1.00 0.00 WT1 O ATOM 23882 H1 TIP3 8195 66.053 31.334 25.577 1.00 0.00 WT1 H ATOM 23883 H2 TIP3 8195 65.962 30.099 24.705 1.00 0.00 WT1 H ATOM 23884 OH2 TIP3 8196 40.083 63.101 7.051 1.00 0.00 WT1 O ATOM 23885 H1 TIP3 8196 40.360 62.224 7.319 1.00 0.00 WT1 H ATOM 23886 H2 TIP3 8196 40.698 63.691 7.487 1.00 0.00 WT1 H ATOM 23887 OH2 TIP3 8197 23.514 39.850 -0.198 1.00 0.00 WT1 O ATOM 23888 H1 TIP3 8197 22.924 39.869 0.555 1.00 0.00 WT1 H ATOM 23889 H2 TIP3 8197 23.935 38.992 -0.151 1.00 0.00 WT1 H ATOM 23890 OH2 TIP3 8198 76.777 88.161 0.523 1.00 0.00 WT1 O ATOM 23891 H1 TIP3 8198 76.507 87.275 0.764 1.00 0.00 WT1 H ATOM 23892 H2 TIP3 8198 76.008 88.539 0.096 1.00 0.00 WT1 H ATOM 23893 OH2 TIP3 8199 43.539 83.176 56.579 1.00 0.00 WT1 O ATOM 23894 H1 TIP3 8199 43.384 82.549 55.872 1.00 0.00 WT1 H ATOM 23895 H2 TIP3 8199 44.446 83.456 56.455 1.00 0.00 WT1 H ATOM 23896 OH2 TIP3 8200 61.131 47.205 -8.399 1.00 0.00 WT1 O ATOM 23897 H1 TIP3 8200 60.873 47.689 -7.615 1.00 0.00 WT1 H ATOM 23898 H2 TIP3 8200 62.081 47.110 -8.320 1.00 0.00 WT1 H ATOM 23899 OH2 TIP3 8201 75.747 91.730 -2.546 1.00 0.00 WT1 O ATOM 23900 H1 TIP3 8201 75.922 91.986 -1.641 1.00 0.00 WT1 H ATOM 23901 H2 TIP3 8201 74.913 92.149 -2.758 1.00 0.00 WT1 H ATOM 23902 OH2 TIP3 8202 37.221 60.085 28.184 1.00 0.00 WT1 O ATOM 23903 H1 TIP3 8202 37.364 60.884 27.677 1.00 0.00 WT1 H ATOM 23904 H2 TIP3 8202 37.517 60.305 29.067 1.00 0.00 WT1 H ATOM 23905 OH2 TIP3 8203 74.406 55.553 6.020 1.00 0.00 WT1 O ATOM 23906 H1 TIP3 8203 74.218 56.211 5.350 1.00 0.00 WT1 H ATOM 23907 H2 TIP3 8203 73.581 55.452 6.494 1.00 0.00 WT1 H ATOM 23908 OH2 TIP3 8204 56.430 50.047 38.277 1.00 0.00 WT1 O ATOM 23909 H1 TIP3 8204 55.631 50.412 38.656 1.00 0.00 WT1 H ATOM 23910 H2 TIP3 8204 56.639 50.632 37.549 1.00 0.00 WT1 H ATOM 23911 OH2 TIP3 8205 59.315 52.613 23.864 1.00 0.00 WT1 O ATOM 23912 H1 TIP3 8205 58.686 53.316 23.704 1.00 0.00 WT1 H ATOM 23913 H2 TIP3 8205 58.956 51.858 23.399 1.00 0.00 WT1 H ATOM 23914 OH2 TIP3 8206 89.724 50.892 66.062 1.00 0.00 WT1 O ATOM 23915 H1 TIP3 8206 90.380 51.059 65.385 1.00 0.00 WT1 H ATOM 23916 H2 TIP3 8206 89.270 50.103 65.768 1.00 0.00 WT1 H ATOM 23917 OH2 TIP3 8207 82.510 50.762 -18.751 1.00 0.00 WT1 O ATOM 23918 H1 TIP3 8207 81.877 51.305 -19.221 1.00 0.00 WT1 H ATOM 23919 H2 TIP3 8207 81.973 50.142 -18.257 1.00 0.00 WT1 H ATOM 23920 OH2 TIP3 8208 86.740 41.657 14.840 1.00 0.00 WT1 O ATOM 23921 H1 TIP3 8208 85.817 41.411 14.780 1.00 0.00 WT1 H ATOM 23922 H2 TIP3 8208 87.216 40.866 14.587 1.00 0.00 WT1 H ATOM 23923 OH2 TIP3 8209 78.460 55.300 9.504 1.00 0.00 WT1 O ATOM 23924 H1 TIP3 8209 77.635 55.656 9.833 1.00 0.00 WT1 H ATOM 23925 H2 TIP3 8209 78.574 54.478 9.982 1.00 0.00 WT1 H ATOM 23926 OH2 TIP3 8210 57.055 13.113 5.060 1.00 0.00 WT1 O ATOM 23927 H1 TIP3 8210 56.537 12.413 4.664 1.00 0.00 WT1 H ATOM 23928 H2 TIP3 8210 56.647 13.261 5.913 1.00 0.00 WT1 H ATOM 23929 OH2 TIP3 8212 70.243 53.790 2.325 1.00 0.00 WT1 O ATOM 23930 H1 TIP3 8212 69.488 54.260 2.680 1.00 0.00 WT1 H ATOM 23931 H2 TIP3 8212 70.999 54.192 2.753 1.00 0.00 WT1 H ATOM 23932 OH2 TIP3 8215 79.008 48.896 -10.488 1.00 0.00 WT1 O ATOM 23933 H1 TIP3 8215 78.679 48.041 -10.213 1.00 0.00 WT1 H ATOM 23934 H2 TIP3 8215 79.134 49.379 -9.671 1.00 0.00 WT1 H ATOM 23935 OH2 TIP3 8216 39.329 39.142 34.811 1.00 0.00 WT1 O ATOM 23936 H1 TIP3 8216 38.488 39.591 34.721 1.00 0.00 WT1 H ATOM 23937 H2 TIP3 8216 39.882 39.761 35.288 1.00 0.00 WT1 H ATOM 23938 OH2 TIP3 8217 78.432 58.819 47.562 1.00 0.00 WT1 O ATOM 23939 H1 TIP3 8217 77.504 58.628 47.429 1.00 0.00 WT1 H ATOM 23940 H2 TIP3 8217 78.478 59.774 47.599 1.00 0.00 WT1 H ATOM 23941 OH2 TIP3 8218 81.707 31.408 56.725 1.00 0.00 WT1 O ATOM 23942 H1 TIP3 8218 81.562 31.308 55.784 1.00 0.00 WT1 H ATOM 23943 H2 TIP3 8218 81.633 32.350 56.881 1.00 0.00 WT1 H ATOM 23944 OH2 TIP3 8219 63.699 13.915 -10.270 1.00 0.00 WT1 O ATOM 23945 H1 TIP3 8219 63.887 14.337 -11.108 1.00 0.00 WT1 H ATOM 23946 H2 TIP3 8219 63.189 14.563 -9.784 1.00 0.00 WT1 H ATOM 23947 OH2 TIP3 8220 42.469 63.026 12.760 1.00 0.00 WT1 O ATOM 23948 H1 TIP3 8220 42.333 63.330 13.657 1.00 0.00 WT1 H ATOM 23949 H2 TIP3 8220 43.416 63.080 12.629 1.00 0.00 WT1 H ATOM 23950 OH2 TIP3 8221 62.356 19.694 15.936 1.00 0.00 WT1 O ATOM 23951 H1 TIP3 8221 62.972 20.378 16.200 1.00 0.00 WT1 H ATOM 23952 H2 TIP3 8221 61.511 20.140 15.884 1.00 0.00 WT1 H ATOM 23953 OH2 TIP3 8222 36.522 63.174 28.143 1.00 0.00 WT1 O ATOM 23954 H1 TIP3 8222 37.089 63.471 27.431 1.00 0.00 WT1 H ATOM 23955 H2 TIP3 8222 37.119 63.006 28.872 1.00 0.00 WT1 H ATOM 23956 OH2 TIP3 8223 55.586 49.638 -12.359 1.00 0.00 WT1 O ATOM 23957 H1 TIP3 8223 56.080 48.823 -12.268 1.00 0.00 WT1 H ATOM 23958 H2 TIP3 8223 56.072 50.142 -13.011 1.00 0.00 WT1 H ATOM 23959 OH2 TIP3 8224 24.978 27.430 -0.467 1.00 0.00 WT1 O ATOM 23960 H1 TIP3 8224 25.471 28.249 -0.512 1.00 0.00 WT1 H ATOM 23961 H2 TIP3 8224 25.649 26.748 -0.419 1.00 0.00 WT1 H ATOM 23962 OH2 TIP3 8225 68.139 28.719 28.744 1.00 0.00 WT1 O ATOM 23963 H1 TIP3 8225 67.447 28.291 29.248 1.00 0.00 WT1 H ATOM 23964 H2 TIP3 8225 68.938 28.255 28.991 1.00 0.00 WT1 H ATOM 23965 OH2 TIP3 8226 83.979 39.923 33.340 1.00 0.00 WT1 O ATOM 23966 H1 TIP3 8226 84.157 39.066 32.951 1.00 0.00 WT1 H ATOM 23967 H2 TIP3 8226 83.833 39.739 34.268 1.00 0.00 WT1 H ATOM 23968 OH2 TIP3 8227 79.248 27.422 -8.641 1.00 0.00 WT1 O ATOM 23969 H1 TIP3 8227 78.480 26.952 -8.316 1.00 0.00 WT1 H ATOM 23970 H2 TIP3 8227 79.239 27.270 -9.586 1.00 0.00 WT1 H ATOM 23971 OH2 TIP3 8228 84.530 86.427 6.835 1.00 0.00 WT1 O ATOM 23972 H1 TIP3 8228 84.098 87.125 7.327 1.00 0.00 WT1 H ATOM 23973 H2 TIP3 8228 85.010 85.928 7.496 1.00 0.00 WT1 H ATOM 23974 OH2 TIP3 8229 63.669 8.964 3.546 1.00 0.00 WT1 O ATOM 23975 H1 TIP3 8229 62.746 9.201 3.456 1.00 0.00 WT1 H ATOM 23976 H2 TIP3 8229 63.977 9.477 4.293 1.00 0.00 WT1 H ATOM 23977 OH2 TIP3 8230 43.304 88.836 21.432 1.00 0.00 WT1 O ATOM 23978 H1 TIP3 8230 43.117 87.901 21.345 1.00 0.00 WT1 H ATOM 23979 H2 TIP3 8230 42.576 89.179 21.950 1.00 0.00 WT1 H ATOM 23980 OH2 TIP3 8231 44.975 26.681 1.854 1.00 0.00 WT1 O ATOM 23981 H1 TIP3 8231 45.502 25.906 2.047 1.00 0.00 WT1 H ATOM 23982 H2 TIP3 8231 45.582 27.414 1.948 1.00 0.00 WT1 H ATOM 23983 OH2 TIP3 8232 62.887 51.842 32.436 1.00 0.00 WT1 O ATOM 23984 H1 TIP3 8232 62.928 52.720 32.815 1.00 0.00 WT1 H ATOM 23985 H2 TIP3 8232 62.562 51.979 31.546 1.00 0.00 WT1 H ATOM 23986 OH2 TIP3 8233 25.067 63.101 38.303 1.00 0.00 WT1 O ATOM 23987 H1 TIP3 8233 24.372 63.643 37.929 1.00 0.00 WT1 H ATOM 23988 H2 TIP3 8233 25.829 63.274 37.750 1.00 0.00 WT1 H ATOM 23989 OH2 TIP3 8234 61.862 43.109 -8.334 1.00 0.00 WT1 O ATOM 23990 H1 TIP3 8234 62.738 43.122 -8.721 1.00 0.00 WT1 H ATOM 23991 H2 TIP3 8234 61.966 43.546 -7.489 1.00 0.00 WT1 H ATOM 23992 OH2 TIP3 8235 39.445 64.640 -14.420 1.00 0.00 WT1 O ATOM 23993 H1 TIP3 8235 39.072 64.847 -13.563 1.00 0.00 WT1 H ATOM 23994 H2 TIP3 8235 38.936 65.166 -15.037 1.00 0.00 WT1 H ATOM 23995 OH2 TIP3 8236 55.845 30.529 37.172 1.00 0.00 WT1 O ATOM 23996 H1 TIP3 8236 55.413 30.635 36.324 1.00 0.00 WT1 H ATOM 23997 H2 TIP3 8236 56.475 31.249 37.212 1.00 0.00 WT1 H ATOM 23998 OH2 TIP3 8237 63.759 37.513 58.749 1.00 0.00 WT1 O ATOM 23999 H1 TIP3 8237 64.138 37.650 59.617 1.00 0.00 WT1 H ATOM 24000 H2 TIP3 8237 62.839 37.309 58.918 1.00 0.00 WT1 H ATOM 24001 OH2 TIP3 8238 83.233 96.427 -10.640 1.00 0.00 WT1 O ATOM 24002 H1 TIP3 8238 83.341 95.893 -9.852 1.00 0.00 WT1 H ATOM 24003 H2 TIP3 8238 82.286 96.538 -10.726 1.00 0.00 WT1 H ATOM 24004 OH2 TIP3 8239 63.294 96.169 15.421 1.00 0.00 WT1 O ATOM 24005 H1 TIP3 8239 63.474 96.551 16.280 1.00 0.00 WT1 H ATOM 24006 H2 TIP3 8239 63.992 95.527 15.293 1.00 0.00 WT1 H ATOM 24007 OH2 TIP3 8240 86.989 36.156 -11.590 1.00 0.00 WT1 O ATOM 24008 H1 TIP3 8240 87.715 36.282 -12.201 1.00 0.00 WT1 H ATOM 24009 H2 TIP3 8240 86.259 36.636 -11.981 1.00 0.00 WT1 H ATOM 24010 OH2 TIP3 8241 21.512 45.119 7.237 1.00 0.00 WT1 O ATOM 24011 H1 TIP3 8241 21.349 44.984 8.170 1.00 0.00 WT1 H ATOM 24012 H2 TIP3 8241 20.874 44.556 6.798 1.00 0.00 WT1 H ATOM 24013 OH2 TIP3 8242 25.873 28.019 -12.447 1.00 0.00 WT1 O ATOM 24014 H1 TIP3 8242 26.346 28.849 -12.502 1.00 0.00 WT1 H ATOM 24015 H2 TIP3 8242 25.580 27.969 -11.537 1.00 0.00 WT1 H ATOM 24016 OH2 TIP3 8244 28.700 81.138 38.576 1.00 0.00 WT1 O ATOM 24017 H1 TIP3 8244 28.346 80.249 38.564 1.00 0.00 WT1 H ATOM 24018 H2 TIP3 8244 28.222 81.596 37.885 1.00 0.00 WT1 H ATOM 24019 OH2 TIP3 8245 48.833 43.685 29.195 1.00 0.00 WT1 O ATOM 24020 H1 TIP3 8245 49.636 44.202 29.251 1.00 0.00 WT1 H ATOM 24021 H2 TIP3 8245 48.934 43.171 28.393 1.00 0.00 WT1 H ATOM 24022 OH2 TIP3 8246 88.541 46.656 21.803 1.00 0.00 WT1 O ATOM 24023 H1 TIP3 8246 88.827 47.520 21.507 1.00 0.00 WT1 H ATOM 24024 H2 TIP3 8246 88.117 46.267 21.038 1.00 0.00 WT1 H ATOM 24025 OH2 TIP3 8248 80.902 24.268 49.559 1.00 0.00 WT1 O ATOM 24026 H1 TIP3 8248 80.835 25.205 49.742 1.00 0.00 WT1 H ATOM 24027 H2 TIP3 8248 80.046 24.031 49.202 1.00 0.00 WT1 H ATOM 24028 OH2 TIP3 8249 55.268 47.314 39.197 1.00 0.00 WT1 O ATOM 24029 H1 TIP3 8249 54.706 46.750 38.666 1.00 0.00 WT1 H ATOM 24030 H2 TIP3 8249 55.733 47.857 38.560 1.00 0.00 WT1 H ATOM 24031 OH2 TIP3 8250 84.808 8.845 61.580 1.00 0.00 WT1 O ATOM 24032 H1 TIP3 8250 85.522 8.297 61.904 1.00 0.00 WT1 H ATOM 24033 H2 TIP3 8250 84.013 8.357 61.797 1.00 0.00 WT1 H ATOM 24034 OH2 TIP3 8251 25.821 76.548 24.941 1.00 0.00 WT1 O ATOM 24035 H1 TIP3 8251 25.630 76.906 24.074 1.00 0.00 WT1 H ATOM 24036 H2 TIP3 8251 26.163 75.671 24.768 1.00 0.00 WT1 H ATOM 24037 OH2 TIP3 8252 57.963 18.055 55.605 1.00 0.00 WT1 O ATOM 24038 H1 TIP3 8252 57.360 18.798 55.574 1.00 0.00 WT1 H ATOM 24039 H2 TIP3 8252 58.643 18.324 56.223 1.00 0.00 WT1 H ATOM 24040 OH2 TIP3 8253 42.574 86.525 53.625 1.00 0.00 WT1 O ATOM 24041 H1 TIP3 8253 43.270 85.890 53.458 1.00 0.00 WT1 H ATOM 24042 H2 TIP3 8253 42.430 86.951 52.780 1.00 0.00 WT1 H ATOM 24043 OH2 TIP3 8254 42.045 51.810 64.879 1.00 0.00 WT1 O ATOM 24044 H1 TIP3 8254 42.052 51.854 65.835 1.00 0.00 WT1 H ATOM 24045 H2 TIP3 8254 41.164 52.089 64.632 1.00 0.00 WT1 H ATOM 24046 OH2 TIP3 8255 43.635 48.563 56.351 1.00 0.00 WT1 O ATOM 24047 H1 TIP3 8255 42.969 49.168 56.027 1.00 0.00 WT1 H ATOM 24048 H2 TIP3 8255 43.754 48.806 57.269 1.00 0.00 WT1 H ATOM 24049 OH2 TIP3 8256 53.210 6.244 -5.597 1.00 0.00 WT1 O ATOM 24050 H1 TIP3 8256 53.223 6.811 -6.368 1.00 0.00 WT1 H ATOM 24051 H2 TIP3 8256 52.418 6.500 -5.124 1.00 0.00 WT1 H ATOM 24052 OH2 TIP3 8257 39.618 3.725 40.090 1.00 0.00 WT1 O ATOM 24053 H1 TIP3 8257 39.459 3.803 41.031 1.00 0.00 WT1 H ATOM 24054 H2 TIP3 8257 39.325 4.560 39.727 1.00 0.00 WT1 H ATOM 24055 OH2 TIP3 8258 40.288 57.768 52.585 1.00 0.00 WT1 O ATOM 24056 H1 TIP3 8258 40.073 57.201 53.326 1.00 0.00 WT1 H ATOM 24057 H2 TIP3 8258 41.173 57.507 52.331 1.00 0.00 WT1 H ATOM 24058 OH2 TIP3 8259 22.663 59.739 -5.768 1.00 0.00 WT1 O ATOM 24059 H1 TIP3 8259 23.291 59.775 -5.046 1.00 0.00 WT1 H ATOM 24060 H2 TIP3 8259 22.386 60.647 -5.891 1.00 0.00 WT1 H ATOM 24061 OH2 TIP3 8260 33.306 19.240 -10.078 1.00 0.00 WT1 O ATOM 24062 H1 TIP3 8260 33.531 19.225 -11.008 1.00 0.00 WT1 H ATOM 24063 H2 TIP3 8260 32.353 19.144 -10.061 1.00 0.00 WT1 H ATOM 24064 OH2 TIP3 8261 22.055 45.540 29.641 1.00 0.00 WT1 O ATOM 24065 H1 TIP3 8261 21.273 45.274 30.125 1.00 0.00 WT1 H ATOM 24066 H2 TIP3 8261 21.716 45.951 28.845 1.00 0.00 WT1 H ATOM 24067 OH2 TIP3 8262 20.713 47.047 45.997 1.00 0.00 WT1 O ATOM 24068 H1 TIP3 8262 20.215 46.503 46.608 1.00 0.00 WT1 H ATOM 24069 H2 TIP3 8262 21.580 47.124 46.395 1.00 0.00 WT1 H ATOM 24070 OH2 TIP3 8263 72.394 86.229 50.888 1.00 0.00 WT1 O ATOM 24071 H1 TIP3 8263 73.044 86.735 50.401 1.00 0.00 WT1 H ATOM 24072 H2 TIP3 8263 71.557 86.466 50.487 1.00 0.00 WT1 H ATOM 24073 OH2 TIP3 8264 87.465 72.808 17.394 1.00 0.00 WT1 O ATOM 24074 H1 TIP3 8264 87.077 72.458 16.592 1.00 0.00 WT1 H ATOM 24075 H2 TIP3 8264 86.730 73.202 17.865 1.00 0.00 WT1 H ATOM 24076 OH2 TIP3 8265 39.482 50.216 67.234 1.00 0.00 WT1 O ATOM 24077 H1 TIP3 8265 39.041 50.683 66.524 1.00 0.00 WT1 H ATOM 24078 H2 TIP3 8265 38.807 49.647 67.603 1.00 0.00 WT1 H ATOM 24079 OH2 TIP3 8266 87.597 25.885 -7.640 1.00 0.00 WT1 O ATOM 24080 H1 TIP3 8266 87.249 26.399 -6.911 1.00 0.00 WT1 H ATOM 24081 H2 TIP3 8266 88.153 26.497 -8.121 1.00 0.00 WT1 H ATOM 24082 OH2 TIP3 8267 46.342 33.877 44.148 1.00 0.00 WT1 O ATOM 24083 H1 TIP3 8267 45.829 34.496 44.668 1.00 0.00 WT1 H ATOM 24084 H2 TIP3 8267 47.253 34.105 44.333 1.00 0.00 WT1 H ATOM 24085 OH2 TIP3 8268 33.405 33.293 44.665 1.00 0.00 WT1 O ATOM 24086 H1 TIP3 8268 33.942 32.710 44.128 1.00 0.00 WT1 H ATOM 24087 H2 TIP3 8268 33.912 34.104 44.719 1.00 0.00 WT1 H ATOM 24088 OH2 TIP3 8269 80.597 64.652 34.961 1.00 0.00 WT1 O ATOM 24089 H1 TIP3 8269 80.497 64.000 34.267 1.00 0.00 WT1 H ATOM 24090 H2 TIP3 8269 79.709 64.974 35.117 1.00 0.00 WT1 H ATOM 24091 OH2 TIP3 8271 67.294 70.949 4.155 1.00 0.00 WT1 O ATOM 24092 H1 TIP3 8271 66.841 70.782 3.329 1.00 0.00 WT1 H ATOM 24093 H2 TIP3 8271 67.477 71.889 4.142 1.00 0.00 WT1 H ATOM 24094 OH2 TIP3 8272 53.601 73.058 -12.731 1.00 0.00 WT1 O ATOM 24095 H1 TIP3 8272 53.330 73.047 -11.813 1.00 0.00 WT1 H ATOM 24096 H2 TIP3 8272 53.478 72.157 -13.029 1.00 0.00 WT1 H ATOM 24097 OH2 TIP3 8273 29.277 64.033 56.591 1.00 0.00 WT1 O ATOM 24098 H1 TIP3 8273 29.846 64.399 57.268 1.00 0.00 WT1 H ATOM 24099 H2 TIP3 8273 29.844 63.443 56.094 1.00 0.00 WT1 H ATOM 24100 OH2 TIP3 8274 28.929 77.842 -15.987 1.00 0.00 WT1 O ATOM 24101 H1 TIP3 8274 29.267 78.725 -15.837 1.00 0.00 WT1 H ATOM 24102 H2 TIP3 8274 28.051 77.979 -16.343 1.00 0.00 WT1 H ATOM 24103 OH2 TIP3 8275 65.928 62.776 12.765 1.00 0.00 WT1 O ATOM 24104 H1 TIP3 8275 65.084 63.198 12.925 1.00 0.00 WT1 H ATOM 24105 H2 TIP3 8275 65.946 62.038 13.374 1.00 0.00 WT1 H ATOM 24106 OH2 TIP3 8276 80.179 49.873 15.470 1.00 0.00 WT1 O ATOM 24107 H1 TIP3 8276 79.375 50.246 15.109 1.00 0.00 WT1 H ATOM 24108 H2 TIP3 8276 79.878 49.199 16.080 1.00 0.00 WT1 H ATOM 24109 OH2 TIP3 8277 71.859 78.150 4.599 1.00 0.00 WT1 O ATOM 24110 H1 TIP3 8277 71.158 78.653 5.014 1.00 0.00 WT1 H ATOM 24111 H2 TIP3 8277 71.682 77.242 4.848 1.00 0.00 WT1 H ATOM 24112 OH2 TIP3 8278 28.186 37.799 62.892 1.00 0.00 WT1 O ATOM 24113 H1 TIP3 8278 28.675 37.071 63.276 1.00 0.00 WT1 H ATOM 24114 H2 TIP3 8278 28.136 38.450 63.592 1.00 0.00 WT1 H ATOM 24115 OH2 TIP3 8279 29.612 50.963 66.408 1.00 0.00 WT1 O ATOM 24116 H1 TIP3 8279 30.225 51.537 66.867 1.00 0.00 WT1 H ATOM 24117 H2 TIP3 8279 28.968 50.719 67.072 1.00 0.00 WT1 H ATOM 24118 OH2 TIP3 8280 85.941 47.268 31.282 1.00 0.00 WT1 O ATOM 24119 H1 TIP3 8280 85.939 48.132 30.870 1.00 0.00 WT1 H ATOM 24120 H2 TIP3 8280 85.917 46.653 30.549 1.00 0.00 WT1 H ATOM 24121 OH2 TIP3 8281 56.965 48.647 50.590 1.00 0.00 WT1 O ATOM 24122 H1 TIP3 8281 57.807 48.593 51.043 1.00 0.00 WT1 H ATOM 24123 H2 TIP3 8281 56.652 49.533 50.770 1.00 0.00 WT1 H ATOM 24124 OH2 TIP3 8282 64.583 37.820 -4.360 1.00 0.00 WT1 O ATOM 24125 H1 TIP3 8282 65.477 37.778 -4.700 1.00 0.00 WT1 H ATOM 24126 H2 TIP3 8282 64.263 36.920 -4.416 1.00 0.00 WT1 H ATOM 24127 OH2 TIP3 8283 63.636 47.176 10.369 1.00 0.00 WT1 O ATOM 24128 H1 TIP3 8283 63.239 46.307 10.324 1.00 0.00 WT1 H ATOM 24129 H2 TIP3 8283 63.864 47.289 11.292 1.00 0.00 WT1 H ATOM 24130 OH2 TIP3 8285 68.969 43.349 65.081 1.00 0.00 WT1 O ATOM 24131 H1 TIP3 8285 69.450 44.096 64.726 1.00 0.00 WT1 H ATOM 24132 H2 TIP3 8285 68.057 43.641 65.106 1.00 0.00 WT1 H ATOM 24133 OH2 TIP3 8286 40.851 17.989 33.442 1.00 0.00 WT1 O ATOM 24134 H1 TIP3 8286 41.272 18.710 32.973 1.00 0.00 WT1 H ATOM 24135 H2 TIP3 8286 40.195 17.656 32.830 1.00 0.00 WT1 H ATOM 24136 OH2 TIP3 8287 38.233 75.248 12.275 1.00 0.00 WT1 O ATOM 24137 H1 TIP3 8287 39.110 75.116 12.636 1.00 0.00 WT1 H ATOM 24138 H2 TIP3 8287 38.028 76.162 12.471 1.00 0.00 WT1 H ATOM 24139 OH2 TIP3 8288 52.843 15.942 52.678 1.00 0.00 WT1 O ATOM 24140 H1 TIP3 8288 52.110 15.855 53.287 1.00 0.00 WT1 H ATOM 24141 H2 TIP3 8288 52.473 15.725 51.823 1.00 0.00 WT1 H ATOM 24142 OH2 TIP3 8289 89.025 39.800 44.884 1.00 0.00 WT1 O ATOM 24143 H1 TIP3 8289 88.930 40.592 45.414 1.00 0.00 WT1 H ATOM 24144 H2 TIP3 8289 89.404 40.107 44.060 1.00 0.00 WT1 H ATOM 24145 OH2 TIP3 8290 48.410 73.765 -3.369 1.00 0.00 WT1 O ATOM 24146 H1 TIP3 8290 48.996 74.404 -2.964 1.00 0.00 WT1 H ATOM 24147 H2 TIP3 8290 48.033 73.283 -2.633 1.00 0.00 WT1 H ATOM 24148 OH2 TIP3 8291 23.353 82.207 41.162 1.00 0.00 WT1 O ATOM 24149 H1 TIP3 8291 23.434 81.260 41.050 1.00 0.00 WT1 H ATOM 24150 H2 TIP3 8291 23.574 82.570 40.304 1.00 0.00 WT1 H ATOM 24151 OH2 TIP3 8292 36.033 1.049 21.849 1.00 0.00 WT1 O ATOM 24152 H1 TIP3 8292 35.600 0.658 22.607 1.00 0.00 WT1 H ATOM 24153 H2 TIP3 8292 36.909 0.664 21.847 1.00 0.00 WT1 H ATOM 24154 OH2 TIP3 8293 59.281 36.360 66.134 1.00 0.00 WT1 O ATOM 24155 H1 TIP3 8293 59.800 36.955 66.674 1.00 0.00 WT1 H ATOM 24156 H2 TIP3 8293 58.397 36.726 66.154 1.00 0.00 WT1 H ATOM 24157 OH2 TIP3 8294 45.700 24.777 3.786 1.00 0.00 WT1 O ATOM 24158 H1 TIP3 8294 46.307 24.670 4.519 1.00 0.00 WT1 H ATOM 24159 H2 TIP3 8294 45.078 25.440 4.084 1.00 0.00 WT1 H ATOM 24160 OH2 TIP3 8295 59.210 67.201 24.103 1.00 0.00 WT1 O ATOM 24161 H1 TIP3 8295 59.967 66.993 23.555 1.00 0.00 WT1 H ATOM 24162 H2 TIP3 8295 58.522 67.438 23.481 1.00 0.00 WT1 H ATOM 24163 OH2 TIP3 8296 59.692 86.736 16.912 1.00 0.00 WT1 O ATOM 24164 H1 TIP3 8296 59.794 87.396 17.598 1.00 0.00 WT1 H ATOM 24165 H2 TIP3 8296 58.836 86.343 17.084 1.00 0.00 WT1 H ATOM 24166 OH2 TIP3 8297 69.189 49.739 66.248 1.00 0.00 WT1 O ATOM 24167 H1 TIP3 8297 68.954 50.642 66.035 1.00 0.00 WT1 H ATOM 24168 H2 TIP3 8297 68.599 49.205 65.715 1.00 0.00 WT1 H ATOM 24169 OH2 TIP3 8298 22.227 67.457 42.328 1.00 0.00 WT1 O ATOM 24170 H1 TIP3 8298 22.239 66.711 42.928 1.00 0.00 WT1 H ATOM 24171 H2 TIP3 8298 22.970 67.306 41.744 1.00 0.00 WT1 H ATOM 24172 OH2 TIP3 8299 66.960 24.396 9.121 1.00 0.00 WT1 O ATOM 24173 H1 TIP3 8299 66.043 24.218 8.911 1.00 0.00 WT1 H ATOM 24174 H2 TIP3 8299 67.346 23.532 9.261 1.00 0.00 WT1 H ATOM 24175 OH2 TIP3 8300 69.370 46.630 -16.895 1.00 0.00 WT1 O ATOM 24176 H1 TIP3 8300 69.197 47.435 -17.383 1.00 0.00 WT1 H ATOM 24177 H2 TIP3 8300 68.645 46.566 -16.274 1.00 0.00 WT1 H ATOM 24178 OH2 TIP3 8301 75.858 89.513 11.035 1.00 0.00 WT1 O ATOM 24179 H1 TIP3 8301 76.491 89.085 10.459 1.00 0.00 WT1 H ATOM 24180 H2 TIP3 8301 76.387 90.093 11.583 1.00 0.00 WT1 H ATOM 24181 OH2 TIP3 8302 51.365 41.874 21.343 1.00 0.00 WT1 O ATOM 24182 H1 TIP3 8302 51.471 42.768 21.016 1.00 0.00 WT1 H ATOM 24183 H2 TIP3 8302 50.713 41.482 20.762 1.00 0.00 WT1 H ATOM 24184 OH2 TIP3 8303 23.883 67.277 28.457 1.00 0.00 WT1 O ATOM 24185 H1 TIP3 8303 23.222 67.304 29.149 1.00 0.00 WT1 H ATOM 24186 H2 TIP3 8303 24.400 68.071 28.588 1.00 0.00 WT1 H ATOM 24187 OH2 TIP3 8304 44.877 30.518 34.014 1.00 0.00 WT1 O ATOM 24188 H1 TIP3 8304 44.821 31.405 34.370 1.00 0.00 WT1 H ATOM 24189 H2 TIP3 8304 45.808 30.389 33.833 1.00 0.00 WT1 H ATOM 24190 OH2 TIP3 8305 75.355 59.228 24.312 1.00 0.00 WT1 O ATOM 24191 H1 TIP3 8305 74.702 58.834 23.734 1.00 0.00 WT1 H ATOM 24192 H2 TIP3 8305 74.895 59.357 25.141 1.00 0.00 WT1 H ATOM 24193 OH2 TIP3 8306 75.358 59.746 43.343 1.00 0.00 WT1 O ATOM 24194 H1 TIP3 8306 76.187 59.564 43.785 1.00 0.00 WT1 H ATOM 24195 H2 TIP3 8306 74.738 59.907 44.054 1.00 0.00 WT1 H ATOM 24196 OH2 TIP3 8307 79.799 58.736 65.933 1.00 0.00 WT1 O ATOM 24197 H1 TIP3 8307 79.803 58.481 66.856 1.00 0.00 WT1 H ATOM 24198 H2 TIP3 8307 78.904 59.031 65.769 1.00 0.00 WT1 H ATOM 24199 OH2 TIP3 8308 35.462 70.516 -4.290 1.00 0.00 WT1 O ATOM 24200 H1 TIP3 8308 35.581 71.395 -4.650 1.00 0.00 WT1 H ATOM 24201 H2 TIP3 8308 36.176 70.416 -3.660 1.00 0.00 WT1 H ATOM 24202 OH2 TIP3 8309 29.702 5.309 -15.830 1.00 0.00 WT1 O ATOM 24203 H1 TIP3 8309 29.410 6.064 -16.340 1.00 0.00 WT1 H ATOM 24204 H2 TIP3 8309 30.028 4.690 -16.483 1.00 0.00 WT1 H ATOM 24205 OH2 TIP3 8310 42.688 29.992 1.659 1.00 0.00 WT1 O ATOM 24206 H1 TIP3 8310 43.142 30.124 2.491 1.00 0.00 WT1 H ATOM 24207 H2 TIP3 8310 42.378 30.864 1.414 1.00 0.00 WT1 H ATOM 24208 OH2 TIP3 8311 21.149 37.578 55.892 1.00 0.00 WT1 O ATOM 24209 H1 TIP3 8311 20.622 37.666 55.097 1.00 0.00 WT1 H ATOM 24210 H2 TIP3 8311 21.246 36.633 56.011 1.00 0.00 WT1 H ATOM 24211 OH2 TIP3 8312 70.813 22.527 -19.461 1.00 0.00 WT1 O ATOM 24212 H1 TIP3 8312 70.874 21.760 -20.029 1.00 0.00 WT1 H ATOM 24213 H2 TIP3 8312 71.542 22.431 -18.848 1.00 0.00 WT1 H ATOM 24214 OH2 TIP3 8313 53.512 69.492 24.682 1.00 0.00 WT1 O ATOM 24215 H1 TIP3 8313 53.220 69.134 23.843 1.00 0.00 WT1 H ATOM 24216 H2 TIP3 8313 54.385 69.121 24.810 1.00 0.00 WT1 H ATOM 24217 OH2 TIP3 8314 69.615 84.098 36.345 1.00 0.00 WT1 O ATOM 24218 H1 TIP3 8314 69.553 83.232 36.749 1.00 0.00 WT1 H ATOM 24219 H2 TIP3 8314 68.969 84.627 36.813 1.00 0.00 WT1 H ATOM 24220 OH2 TIP3 8315 70.163 79.405 54.088 1.00 0.00 WT1 O ATOM 24221 H1 TIP3 8315 69.364 79.058 53.693 1.00 0.00 WT1 H ATOM 24222 H2 TIP3 8315 70.113 80.350 53.941 1.00 0.00 WT1 H ATOM 24223 OH2 TIP3 8316 40.868 28.828 35.808 1.00 0.00 WT1 O ATOM 24224 H1 TIP3 8316 41.688 28.870 35.316 1.00 0.00 WT1 H ATOM 24225 H2 TIP3 8316 40.189 29.011 35.158 1.00 0.00 WT1 H ATOM 24226 OH2 TIP3 8317 80.606 20.196 -6.871 1.00 0.00 WT1 O ATOM 24227 H1 TIP3 8317 80.920 19.500 -7.447 1.00 0.00 WT1 H ATOM 24228 H2 TIP3 8317 80.251 19.737 -6.110 1.00 0.00 WT1 H ATOM 24229 OH2 TIP3 8319 30.854 8.854 32.785 1.00 0.00 WT1 O ATOM 24230 H1 TIP3 8319 31.698 8.954 32.345 1.00 0.00 WT1 H ATOM 24231 H2 TIP3 8319 30.577 7.963 32.572 1.00 0.00 WT1 H ATOM 24232 OH2 TIP3 8321 39.637 10.889 -11.688 1.00 0.00 WT1 O ATOM 24233 H1 TIP3 8321 39.985 11.657 -12.141 1.00 0.00 WT1 H ATOM 24234 H2 TIP3 8321 40.167 10.817 -10.895 1.00 0.00 WT1 H ATOM 24235 OH2 TIP3 8322 45.934 70.384 57.901 1.00 0.00 WT1 O ATOM 24236 H1 TIP3 8322 46.323 70.258 57.035 1.00 0.00 WT1 H ATOM 24237 H2 TIP3 8322 45.578 71.272 57.878 1.00 0.00 WT1 H ATOM 24238 OH2 TIP3 8323 43.269 38.689 -3.258 1.00 0.00 WT1 O ATOM 24239 H1 TIP3 8323 43.868 39.088 -2.627 1.00 0.00 WT1 H ATOM 24240 H2 TIP3 8323 42.482 39.231 -3.218 1.00 0.00 WT1 H ATOM 24241 OH2 TIP3 8324 27.752 16.166 29.984 1.00 0.00 WT1 O ATOM 24242 H1 TIP3 8324 28.280 15.395 30.192 1.00 0.00 WT1 H ATOM 24243 H2 TIP3 8324 27.602 16.106 29.041 1.00 0.00 WT1 H ATOM 24244 OH2 TIP3 8325 80.681 78.223 6.423 1.00 0.00 WT1 O ATOM 24245 H1 TIP3 8325 80.573 77.356 6.815 1.00 0.00 WT1 H ATOM 24246 H2 TIP3 8325 81.422 78.124 5.825 1.00 0.00 WT1 H ATOM 24247 OH2 TIP3 8326 62.423 71.225 0.451 1.00 0.00 WT1 O ATOM 24248 H1 TIP3 8326 62.763 71.069 1.332 1.00 0.00 WT1 H ATOM 24249 H2 TIP3 8326 61.637 71.754 0.587 1.00 0.00 WT1 H ATOM 24250 OH2 TIP3 8327 71.938 54.060 58.468 1.00 0.00 WT1 O ATOM 24251 H1 TIP3 8327 71.919 54.960 58.141 1.00 0.00 WT1 H ATOM 24252 H2 TIP3 8327 72.144 54.147 59.399 1.00 0.00 WT1 H ATOM 24253 OH2 TIP3 8328 27.446 1.800 36.427 1.00 0.00 WT1 O ATOM 24254 H1 TIP3 8328 28.266 1.314 36.339 1.00 0.00 WT1 H ATOM 24255 H2 TIP3 8328 27.160 1.626 37.324 1.00 0.00 WT1 H ATOM 24256 OH2 TIP3 8329 31.317 23.207 45.566 1.00 0.00 WT1 O ATOM 24257 H1 TIP3 8329 30.845 22.634 46.170 1.00 0.00 WT1 H ATOM 24258 H2 TIP3 8329 31.559 23.967 46.095 1.00 0.00 WT1 H ATOM 24259 OH2 TIP3 8330 26.370 68.783 18.303 1.00 0.00 WT1 O ATOM 24260 H1 TIP3 8330 25.518 68.459 18.593 1.00 0.00 WT1 H ATOM 24261 H2 TIP3 8330 26.626 68.188 17.599 1.00 0.00 WT1 H ATOM 24262 OH2 TIP3 8331 43.776 57.386 56.277 1.00 0.00 WT1 O ATOM 24263 H1 TIP3 8331 43.525 57.769 57.117 1.00 0.00 WT1 H ATOM 24264 H2 TIP3 8331 43.426 56.496 56.305 1.00 0.00 WT1 H ATOM 24265 OH2 TIP3 8332 27.543 87.474 67.246 1.00 0.00 WT1 O ATOM 24266 H1 TIP3 8332 27.492 86.638 67.710 1.00 0.00 WT1 H ATOM 24267 H2 TIP3 8332 28.284 87.371 66.648 1.00 0.00 WT1 H ATOM 24268 OH2 TIP3 8334 45.135 34.658 16.330 1.00 0.00 WT1 O ATOM 24269 H1 TIP3 8334 44.191 34.776 16.440 1.00 0.00 WT1 H ATOM 24270 H2 TIP3 8334 45.267 34.652 15.382 1.00 0.00 WT1 H ATOM 24271 OH2 TIP3 8335 33.730 71.848 42.390 1.00 0.00 WT1 O ATOM 24272 H1 TIP3 8335 34.032 71.230 43.056 1.00 0.00 WT1 H ATOM 24273 H2 TIP3 8335 34.459 71.911 41.773 1.00 0.00 WT1 H ATOM 24274 OH2 TIP3 8336 62.759 41.800 32.120 1.00 0.00 WT1 O ATOM 24275 H1 TIP3 8336 62.143 41.085 32.282 1.00 0.00 WT1 H ATOM 24276 H2 TIP3 8336 62.233 42.479 31.698 1.00 0.00 WT1 H ATOM 24277 OH2 TIP3 8338 89.612 53.622 51.776 1.00 0.00 WT1 O ATOM 24278 H1 TIP3 8338 89.658 54.452 52.251 1.00 0.00 WT1 H ATOM 24279 H2 TIP3 8338 90.359 53.646 51.178 1.00 0.00 WT1 H ATOM 24280 OH2 TIP3 8339 41.829 7.406 33.586 1.00 0.00 WT1 O ATOM 24281 H1 TIP3 8339 41.908 7.852 32.743 1.00 0.00 WT1 H ATOM 24282 H2 TIP3 8339 42.708 7.451 33.964 1.00 0.00 WT1 H ATOM 24283 OH2 TIP3 8341 64.839 31.172 55.827 1.00 0.00 WT1 O ATOM 24284 H1 TIP3 8341 64.228 31.523 56.475 1.00 0.00 WT1 H ATOM 24285 H2 TIP3 8341 64.344 30.486 55.379 1.00 0.00 WT1 H ATOM 24286 OH2 TIP3 8342 26.983 21.610 52.185 1.00 0.00 WT1 O ATOM 24287 H1 TIP3 8342 26.636 21.562 53.076 1.00 0.00 WT1 H ATOM 24288 H2 TIP3 8342 27.814 21.138 52.225 1.00 0.00 WT1 H ATOM 24289 OH2 TIP3 8344 78.711 73.993 9.249 1.00 0.00 WT1 O ATOM 24290 H1 TIP3 8344 78.519 73.065 9.119 1.00 0.00 WT1 H ATOM 24291 H2 TIP3 8344 78.225 74.438 8.555 1.00 0.00 WT1 H ATOM 24292 OH2 TIP3 8345 87.753 30.935 7.954 1.00 0.00 WT1 O ATOM 24293 H1 TIP3 8345 88.498 30.337 8.026 1.00 0.00 WT1 H ATOM 24294 H2 TIP3 8345 87.523 31.142 8.859 1.00 0.00 WT1 H ATOM 24295 OH2 TIP3 8346 41.324 66.919 59.163 1.00 0.00 WT1 O ATOM 24296 H1 TIP3 8346 41.978 66.381 58.717 1.00 0.00 WT1 H ATOM 24297 H2 TIP3 8346 41.390 67.776 58.741 1.00 0.00 WT1 H ATOM 24298 OH2 TIP3 8347 75.710 60.619 16.241 1.00 0.00 WT1 O ATOM 24299 H1 TIP3 8347 75.053 60.475 15.560 1.00 0.00 WT1 H ATOM 24300 H2 TIP3 8347 75.312 60.266 17.037 1.00 0.00 WT1 H ATOM 24301 OH2 TIP3 8348 21.330 2.155 0.955 1.00 0.00 WT1 O ATOM 24302 H1 TIP3 8348 20.732 2.894 1.064 1.00 0.00 WT1 H ATOM 24303 H2 TIP3 8348 21.204 1.626 1.742 1.00 0.00 WT1 H ATOM 24304 OH2 TIP3 8349 84.035 95.616 -3.748 1.00 0.00 WT1 O ATOM 24305 H1 TIP3 8349 83.221 95.118 -3.665 1.00 0.00 WT1 H ATOM 24306 H2 TIP3 8349 83.814 96.492 -3.432 1.00 0.00 WT1 H ATOM 24307 OH2 TIP3 8350 38.546 74.406 9.725 1.00 0.00 WT1 O ATOM 24308 H1 TIP3 8350 39.193 73.714 9.860 1.00 0.00 WT1 H ATOM 24309 H2 TIP3 8350 38.454 74.820 10.583 1.00 0.00 WT1 H ATOM 24310 OH2 TIP3 8351 42.141 30.586 29.677 1.00 0.00 WT1 O ATOM 24311 H1 TIP3 8351 41.437 31.158 29.372 1.00 0.00 WT1 H ATOM 24312 H2 TIP3 8351 42.891 31.170 29.794 1.00 0.00 WT1 H ATOM 24313 OH2 TIP3 8352 31.242 45.291 55.706 1.00 0.00 WT1 O ATOM 24314 H1 TIP3 8352 31.213 44.856 54.853 1.00 0.00 WT1 H ATOM 24315 H2 TIP3 8352 31.652 46.137 55.529 1.00 0.00 WT1 H ATOM 24316 OH2 TIP3 8353 85.633 30.062 33.138 1.00 0.00 WT1 O ATOM 24317 H1 TIP3 8353 86.366 30.470 32.679 1.00 0.00 WT1 H ATOM 24318 H2 TIP3 8353 84.920 30.695 33.063 1.00 0.00 WT1 H ATOM 24319 OH2 TIP3 8354 55.491 42.754 66.283 1.00 0.00 WT1 O ATOM 24320 H1 TIP3 8354 55.821 41.874 66.466 1.00 0.00 WT1 H ATOM 24321 H2 TIP3 8354 55.119 43.048 67.114 1.00 0.00 WT1 H ATOM 24322 OH2 TIP3 8355 63.444 13.163 -6.988 1.00 0.00 WT1 O ATOM 24323 H1 TIP3 8355 63.549 13.682 -7.786 1.00 0.00 WT1 H ATOM 24324 H2 TIP3 8355 64.295 13.215 -6.555 1.00 0.00 WT1 H ATOM 24325 OH2 TIP3 8356 55.189 4.648 9.373 1.00 0.00 WT1 O ATOM 24326 H1 TIP3 8356 56.088 4.395 9.581 1.00 0.00 WT1 H ATOM 24327 H2 TIP3 8356 55.052 5.465 9.852 1.00 0.00 WT1 H ATOM 24328 OH2 TIP3 8357 30.716 85.636 -18.989 1.00 0.00 WT1 O ATOM 24329 H1 TIP3 8357 31.201 84.922 -18.575 1.00 0.00 WT1 H ATOM 24330 H2 TIP3 8357 30.977 86.418 -18.503 1.00 0.00 WT1 H ATOM 24331 OH2 TIP3 8358 85.368 36.009 -19.187 1.00 0.00 WT1 O ATOM 24332 H1 TIP3 8358 85.973 36.212 -19.900 1.00 0.00 WT1 H ATOM 24333 H2 TIP3 8358 84.762 36.750 -19.168 1.00 0.00 WT1 H ATOM 24334 OH2 TIP3 8359 67.764 89.996 35.335 1.00 0.00 WT1 O ATOM 24335 H1 TIP3 8359 67.726 90.929 35.542 1.00 0.00 WT1 H ATOM 24336 H2 TIP3 8359 66.891 89.666 35.551 1.00 0.00 WT1 H ATOM 24337 OH2 TIP3 8360 36.884 3.033 57.061 1.00 0.00 WT1 O ATOM 24338 H1 TIP3 8360 37.189 2.304 57.601 1.00 0.00 WT1 H ATOM 24339 H2 TIP3 8360 36.177 2.662 56.533 1.00 0.00 WT1 H ATOM 24340 OH2 TIP3 8361 59.917 72.212 27.351 1.00 0.00 WT1 O ATOM 24341 H1 TIP3 8361 59.564 72.506 26.511 1.00 0.00 WT1 H ATOM 24342 H2 TIP3 8361 59.234 71.645 27.712 1.00 0.00 WT1 H ATOM 24343 OH2 TIP3 8362 69.416 37.300 47.307 1.00 0.00 WT1 O ATOM 24344 H1 TIP3 8362 70.053 36.585 47.295 1.00 0.00 WT1 H ATOM 24345 H2 TIP3 8362 69.171 37.418 46.389 1.00 0.00 WT1 H ATOM 24346 OH2 TIP3 8363 81.235 79.134 48.651 1.00 0.00 WT1 O ATOM 24347 H1 TIP3 8363 81.361 80.075 48.768 1.00 0.00 WT1 H ATOM 24348 H2 TIP3 8363 80.378 79.057 48.231 1.00 0.00 WT1 H ATOM 24349 OH2 TIP3 8364 25.491 91.118 2.033 1.00 0.00 WT1 O ATOM 24350 H1 TIP3 8364 25.492 90.321 2.562 1.00 0.00 WT1 H ATOM 24351 H2 TIP3 8364 26.305 91.564 2.268 1.00 0.00 WT1 H ATOM 24352 OH2 TIP3 8365 78.228 33.691 23.894 1.00 0.00 WT1 O ATOM 24353 H1 TIP3 8365 78.797 34.230 23.344 1.00 0.00 WT1 H ATOM 24354 H2 TIP3 8365 77.349 34.041 23.745 1.00 0.00 WT1 H ATOM 24355 OH2 TIP3 8366 68.945 38.562 5.427 1.00 0.00 WT1 O ATOM 24356 H1 TIP3 8366 69.757 38.775 5.886 1.00 0.00 WT1 H ATOM 24357 H2 TIP3 8366 68.273 39.073 5.879 1.00 0.00 WT1 H ATOM 24358 OH2 TIP3 8367 50.051 34.051 2.517 1.00 0.00 WT1 O ATOM 24359 H1 TIP3 8367 49.820 33.125 2.582 1.00 0.00 WT1 H ATOM 24360 H2 TIP3 8367 50.846 34.138 3.042 1.00 0.00 WT1 H ATOM 24361 OH2 TIP3 8368 88.148 88.318 -10.096 1.00 0.00 WT1 O ATOM 24362 H1 TIP3 8368 88.319 88.114 -9.177 1.00 0.00 WT1 H ATOM 24363 H2 TIP3 8368 87.301 88.764 -10.089 1.00 0.00 WT1 H ATOM 24364 OH2 TIP3 8369 68.306 52.105 6.963 1.00 0.00 WT1 O ATOM 24365 H1 TIP3 8369 68.371 53.023 7.228 1.00 0.00 WT1 H ATOM 24366 H2 TIP3 8369 67.575 51.759 7.475 1.00 0.00 WT1 H ATOM 24367 OH2 TIP3 8370 70.917 16.565 6.505 1.00 0.00 WT1 O ATOM 24368 H1 TIP3 8370 71.502 17.266 6.216 1.00 0.00 WT1 H ATOM 24369 H2 TIP3 8370 71.490 15.946 6.959 1.00 0.00 WT1 H ATOM 24370 OH2 TIP3 8371 34.966 85.641 31.319 1.00 0.00 WT1 O ATOM 24371 H1 TIP3 8371 34.191 85.941 31.795 1.00 0.00 WT1 H ATOM 24372 H2 TIP3 8371 35.050 84.717 31.556 1.00 0.00 WT1 H ATOM 24373 OH2 TIP3 8372 37.034 79.537 51.116 1.00 0.00 WT1 O ATOM 24374 H1 TIP3 8372 37.226 79.982 50.291 1.00 0.00 WT1 H ATOM 24375 H2 TIP3 8372 36.081 79.448 51.125 1.00 0.00 WT1 H ATOM 24376 OH2 TIP3 8373 52.417 77.764 39.626 1.00 0.00 WT1 O ATOM 24377 H1 TIP3 8373 52.349 78.713 39.736 1.00 0.00 WT1 H ATOM 24378 H2 TIP3 8373 53.322 77.560 39.864 1.00 0.00 WT1 H ATOM 24379 OH2 TIP3 8374 79.560 24.273 -9.824 1.00 0.00 WT1 O ATOM 24380 H1 TIP3 8374 80.211 23.572 -9.848 1.00 0.00 WT1 H ATOM 24381 H2 TIP3 8374 79.965 24.958 -9.291 1.00 0.00 WT1 H ATOM 24382 OH2 TIP3 8375 81.717 72.726 -8.012 1.00 0.00 WT1 O ATOM 24383 H1 TIP3 8375 81.387 73.625 -8.031 1.00 0.00 WT1 H ATOM 24384 H2 TIP3 8375 82.301 72.701 -7.254 1.00 0.00 WT1 H ATOM 24385 OH2 TIP3 8376 81.306 83.196 -16.337 1.00 0.00 WT1 O ATOM 24386 H1 TIP3 8376 80.497 82.850 -15.960 1.00 0.00 WT1 H ATOM 24387 H2 TIP3 8376 81.727 83.661 -15.615 1.00 0.00 WT1 H ATOM 24388 OH2 TIP3 8377 61.895 18.292 20.417 1.00 0.00 WT1 O ATOM 24389 H1 TIP3 8377 61.864 18.842 21.200 1.00 0.00 WT1 H ATOM 24390 H2 TIP3 8377 61.081 18.489 19.953 1.00 0.00 WT1 H ATOM 24391 OH2 TIP3 8378 42.199 13.213 -8.661 1.00 0.00 WT1 O ATOM 24392 H1 TIP3 8378 42.366 13.914 -8.031 1.00 0.00 WT1 H ATOM 24393 H2 TIP3 8378 43.025 13.117 -9.137 1.00 0.00 WT1 H ATOM 24394 OH2 TIP3 8379 72.731 54.795 2.973 1.00 0.00 WT1 O ATOM 24395 H1 TIP3 8379 72.561 55.505 3.592 1.00 0.00 WT1 H ATOM 24396 H2 TIP3 8379 72.874 54.026 3.525 1.00 0.00 WT1 H ATOM 24397 OH2 TIP3 8380 22.254 15.949 -12.093 1.00 0.00 WT1 O ATOM 24398 H1 TIP3 8380 22.036 16.854 -11.870 1.00 0.00 WT1 H ATOM 24399 H2 TIP3 8380 22.375 15.959 -13.043 1.00 0.00 WT1 H ATOM 24400 OH2 TIP3 8381 84.057 61.481 -14.568 1.00 0.00 WT1 O ATOM 24401 H1 TIP3 8381 83.665 60.802 -14.018 1.00 0.00 WT1 H ATOM 24402 H2 TIP3 8381 83.773 61.264 -15.456 1.00 0.00 WT1 H ATOM 24403 OH2 TIP3 8382 45.035 88.809 10.534 1.00 0.00 WT1 O ATOM 24404 H1 TIP3 8382 44.893 89.449 11.231 1.00 0.00 WT1 H ATOM 24405 H2 TIP3 8382 44.425 88.098 10.733 1.00 0.00 WT1 H ATOM 24406 OH2 TIP3 8383 81.670 7.878 44.344 1.00 0.00 WT1 O ATOM 24407 H1 TIP3 8383 82.320 7.751 43.653 1.00 0.00 WT1 H ATOM 24408 H2 TIP3 8383 82.048 7.448 45.112 1.00 0.00 WT1 H ATOM 24409 OH2 TIP3 8384 72.392 83.019 22.975 1.00 0.00 WT1 O ATOM 24410 H1 TIP3 8384 72.727 82.703 22.136 1.00 0.00 WT1 H ATOM 24411 H2 TIP3 8384 71.441 83.027 22.866 1.00 0.00 WT1 H ATOM 24412 OH2 TIP3 8385 24.780 3.444 41.338 1.00 0.00 WT1 O ATOM 24413 H1 TIP3 8385 25.423 3.090 41.952 1.00 0.00 WT1 H ATOM 24414 H2 TIP3 8385 24.437 2.676 40.881 1.00 0.00 WT1 H ATOM 24415 OH2 TIP3 8386 23.573 80.693 27.950 1.00 0.00 WT1 O ATOM 24416 H1 TIP3 8386 24.370 81.222 27.917 1.00 0.00 WT1 H ATOM 24417 H2 TIP3 8386 23.491 80.327 27.069 1.00 0.00 WT1 H ATOM 24418 OH2 TIP3 8387 23.399 81.995 -15.175 1.00 0.00 WT1 O ATOM 24419 H1 TIP3 8387 23.638 81.076 -15.053 1.00 0.00 WT1 H ATOM 24420 H2 TIP3 8387 22.448 82.012 -15.068 1.00 0.00 WT1 H ATOM 24421 OH2 TIP3 8388 52.945 24.464 4.218 1.00 0.00 WT1 O ATOM 24422 H1 TIP3 8388 53.743 23.966 4.041 1.00 0.00 WT1 H ATOM 24423 H2 TIP3 8388 52.791 24.345 5.155 1.00 0.00 WT1 H ATOM 24424 OH2 TIP3 8389 30.231 89.565 41.870 1.00 0.00 WT1 O ATOM 24425 H1 TIP3 8389 30.152 89.187 40.994 1.00 0.00 WT1 H ATOM 24426 H2 TIP3 8389 31.072 89.244 42.195 1.00 0.00 WT1 H ATOM 24427 OH2 TIP3 8390 53.612 69.791 63.172 1.00 0.00 WT1 O ATOM 24428 H1 TIP3 8390 53.491 69.689 64.116 1.00 0.00 WT1 H ATOM 24429 H2 TIP3 8390 53.000 70.484 62.926 1.00 0.00 WT1 H ATOM 24430 OH2 TIP3 8391 46.405 14.358 39.653 1.00 0.00 WT1 O ATOM 24431 H1 TIP3 8391 46.161 14.855 38.873 1.00 0.00 WT1 H ATOM 24432 H2 TIP3 8391 45.572 14.067 40.023 1.00 0.00 WT1 H ATOM 24433 OH2 TIP3 8392 71.768 7.701 11.417 1.00 0.00 WT1 O ATOM 24434 H1 TIP3 8392 72.353 7.951 10.703 1.00 0.00 WT1 H ATOM 24435 H2 TIP3 8392 72.263 7.053 11.918 1.00 0.00 WT1 H ATOM 24436 OH2 TIP3 8393 73.123 27.263 51.221 1.00 0.00 WT1 O ATOM 24437 H1 TIP3 8393 73.801 27.873 51.515 1.00 0.00 WT1 H ATOM 24438 H2 TIP3 8393 73.560 26.715 50.570 1.00 0.00 WT1 H ATOM 24439 OH2 TIP3 8394 30.413 62.567 19.396 1.00 0.00 WT1 O ATOM 24440 H1 TIP3 8394 31.359 62.548 19.251 1.00 0.00 WT1 H ATOM 24441 H2 TIP3 8394 30.035 62.415 18.530 1.00 0.00 WT1 H ATOM 24442 OH2 TIP3 8396 65.600 90.259 7.034 1.00 0.00 WT1 O ATOM 24443 H1 TIP3 8396 64.793 89.847 7.342 1.00 0.00 WT1 H ATOM 24444 H2 TIP3 8396 65.444 90.427 6.105 1.00 0.00 WT1 H ATOM 24445 OH2 TIP3 8397 84.256 85.659 47.660 1.00 0.00 WT1 O ATOM 24446 H1 TIP3 8397 83.680 86.334 47.301 1.00 0.00 WT1 H ATOM 24447 H2 TIP3 8397 83.673 85.085 48.157 1.00 0.00 WT1 H ATOM 24448 OH2 TIP3 8398 44.807 54.219 41.284 1.00 0.00 WT1 O ATOM 24449 H1 TIP3 8398 45.401 54.970 41.279 1.00 0.00 WT1 H ATOM 24450 H2 TIP3 8398 44.023 54.531 40.833 1.00 0.00 WT1 H ATOM 24451 OH2 TIP3 8399 55.832 86.309 36.245 1.00 0.00 WT1 O ATOM 24452 H1 TIP3 8399 56.242 86.336 37.109 1.00 0.00 WT1 H ATOM 24453 H2 TIP3 8399 56.320 85.638 35.769 1.00 0.00 WT1 H ATOM 24454 OH2 TIP3 8400 55.574 11.316 15.877 1.00 0.00 WT1 O ATOM 24455 H1 TIP3 8400 56.307 11.037 15.327 1.00 0.00 WT1 H ATOM 24456 H2 TIP3 8400 55.496 12.256 15.713 1.00 0.00 WT1 H ATOM 24457 OH2 TIP3 8401 90.841 52.449 55.343 1.00 0.00 WT1 O ATOM 24458 H1 TIP3 8401 90.530 52.017 54.548 1.00 0.00 WT1 H ATOM 24459 H2 TIP3 8401 90.076 52.918 55.676 1.00 0.00 WT1 H ATOM 24460 OH2 TIP3 8402 39.300 88.416 63.672 1.00 0.00 WT1 O ATOM 24461 H1 TIP3 8402 38.908 88.729 62.856 1.00 0.00 WT1 H ATOM 24462 H2 TIP3 8402 39.921 87.742 63.396 1.00 0.00 WT1 H ATOM 24463 OH2 TIP3 8403 56.271 32.445 -8.908 1.00 0.00 WT1 O ATOM 24464 H1 TIP3 8403 56.059 33.218 -8.385 1.00 0.00 WT1 H ATOM 24465 H2 TIP3 8403 56.339 32.773 -9.805 1.00 0.00 WT1 H ATOM 24466 OH2 TIP3 8404 77.748 49.493 38.302 1.00 0.00 WT1 O ATOM 24467 H1 TIP3 8404 78.371 50.010 37.792 1.00 0.00 WT1 H ATOM 24468 H2 TIP3 8404 77.708 49.933 39.151 1.00 0.00 WT1 H ATOM 24469 OH2 TIP3 8405 32.126 22.604 36.356 1.00 0.00 WT1 O ATOM 24470 H1 TIP3 8405 31.601 22.743 35.567 1.00 0.00 WT1 H ATOM 24471 H2 TIP3 8405 32.699 23.369 36.401 1.00 0.00 WT1 H ATOM 24472 OH2 TIP3 8406 80.059 17.283 -1.992 1.00 0.00 WT1 O ATOM 24473 H1 TIP3 8406 79.190 16.910 -1.847 1.00 0.00 WT1 H ATOM 24474 H2 TIP3 8406 80.503 17.191 -1.149 1.00 0.00 WT1 H ATOM 24475 OH2 TIP3 8407 33.329 82.927 2.710 1.00 0.00 WT1 O ATOM 24476 H1 TIP3 8407 33.101 82.308 2.017 1.00 0.00 WT1 H ATOM 24477 H2 TIP3 8407 32.596 82.882 3.323 1.00 0.00 WT1 H ATOM 24478 OH2 TIP3 8408 25.826 29.998 -5.848 1.00 0.00 WT1 O ATOM 24479 H1 TIP3 8408 25.822 30.425 -6.705 1.00 0.00 WT1 H ATOM 24480 H2 TIP3 8408 25.089 30.390 -5.381 1.00 0.00 WT1 H ATOM 24481 OH2 TIP3 8409 26.945 5.008 17.757 1.00 0.00 WT1 O ATOM 24482 H1 TIP3 8409 26.799 4.140 17.380 1.00 0.00 WT1 H ATOM 24483 H2 TIP3 8409 26.285 5.084 18.447 1.00 0.00 WT1 H ATOM 24484 OH2 TIP3 8410 26.868 72.214 -3.295 1.00 0.00 WT1 O ATOM 24485 H1 TIP3 8410 27.790 72.332 -3.066 1.00 0.00 WT1 H ATOM 24486 H2 TIP3 8410 26.409 72.224 -2.455 1.00 0.00 WT1 H ATOM 24487 OH2 TIP3 8411 85.779 7.658 56.578 1.00 0.00 WT1 O ATOM 24488 H1 TIP3 8411 85.017 8.148 56.887 1.00 0.00 WT1 H ATOM 24489 H2 TIP3 8411 85.617 7.525 55.644 1.00 0.00 WT1 H ATOM 24490 OH2 TIP3 8412 24.691 4.701 61.090 1.00 0.00 WT1 O ATOM 24491 H1 TIP3 8412 25.435 4.144 60.860 1.00 0.00 WT1 H ATOM 24492 H2 TIP3 8412 25.028 5.594 61.017 1.00 0.00 WT1 H ATOM 24493 OH2 TIP3 8413 67.674 73.150 16.420 1.00 0.00 WT1 O ATOM 24494 H1 TIP3 8413 67.381 73.697 17.149 1.00 0.00 WT1 H ATOM 24495 H2 TIP3 8413 67.273 72.296 16.586 1.00 0.00 WT1 H ATOM 24496 OH2 TIP3 8414 58.103 15.357 1.280 1.00 0.00 WT1 O ATOM 24497 H1 TIP3 8414 58.037 15.624 0.363 1.00 0.00 WT1 H ATOM 24498 H2 TIP3 8414 57.238 15.543 1.646 1.00 0.00 WT1 H ATOM 24499 OH2 TIP3 8415 55.714 77.713 57.741 1.00 0.00 WT1 O ATOM 24500 H1 TIP3 8415 55.976 77.015 58.341 1.00 0.00 WT1 H ATOM 24501 H2 TIP3 8415 54.858 77.996 58.061 1.00 0.00 WT1 H ATOM 24502 OH2 TIP3 8416 79.020 27.569 25.791 1.00 0.00 WT1 O ATOM 24503 H1 TIP3 8416 79.854 27.562 25.321 1.00 0.00 WT1 H ATOM 24504 H2 TIP3 8416 78.860 28.493 25.983 1.00 0.00 WT1 H ATOM 24505 OH2 TIP3 8417 21.885 1.609 9.779 1.00 0.00 WT1 O ATOM 24506 H1 TIP3 8417 22.319 1.862 10.593 1.00 0.00 WT1 H ATOM 24507 H2 TIP3 8417 21.076 1.181 10.061 1.00 0.00 WT1 H ATOM 24508 OH2 TIP3 8418 83.516 89.486 11.078 1.00 0.00 WT1 O ATOM 24509 H1 TIP3 8418 84.093 88.935 11.608 1.00 0.00 WT1 H ATOM 24510 H2 TIP3 8418 83.527 90.336 11.517 1.00 0.00 WT1 H ATOM 24511 OH2 TIP3 8419 83.083 16.351 67.031 1.00 0.00 WT1 O ATOM 24512 H1 TIP3 8419 83.516 15.632 66.570 1.00 0.00 WT1 H ATOM 24513 H2 TIP3 8419 82.630 15.929 67.761 1.00 0.00 WT1 H ATOM 24514 OH2 TIP3 8420 60.033 39.206 38.253 1.00 0.00 WT1 O ATOM 24515 H1 TIP3 8420 59.219 39.592 38.575 1.00 0.00 WT1 H ATOM 24516 H2 TIP3 8420 59.779 38.742 37.455 1.00 0.00 WT1 H ATOM 24517 OH2 TIP3 8422 74.053 93.486 45.233 1.00 0.00 WT1 O ATOM 24518 H1 TIP3 8422 73.603 94.285 45.508 1.00 0.00 WT1 H ATOM 24519 H2 TIP3 8422 74.133 93.572 44.283 1.00 0.00 WT1 H ATOM 24520 OH2 TIP3 8423 56.050 66.978 48.910 1.00 0.00 WT1 O ATOM 24521 H1 TIP3 8423 56.054 66.021 48.883 1.00 0.00 WT1 H ATOM 24522 H2 TIP3 8423 55.401 67.234 48.255 1.00 0.00 WT1 H ATOM 24523 OH2 TIP3 8424 59.761 31.232 41.438 1.00 0.00 WT1 O ATOM 24524 H1 TIP3 8424 59.889 32.051 41.915 1.00 0.00 WT1 H ATOM 24525 H2 TIP3 8424 58.810 31.126 41.395 1.00 0.00 WT1 H ATOM 24526 OH2 TIP3 8425 52.063 72.944 -18.695 1.00 0.00 WT1 O ATOM 24527 H1 TIP3 8425 52.637 73.695 -18.544 1.00 0.00 WT1 H ATOM 24528 H2 TIP3 8425 52.368 72.281 -18.076 1.00 0.00 WT1 H ATOM 24529 OH2 TIP3 8426 27.908 49.313 18.986 1.00 0.00 WT1 O ATOM 24530 H1 TIP3 8426 28.331 49.253 18.130 1.00 0.00 WT1 H ATOM 24531 H2 TIP3 8426 28.632 49.352 19.611 1.00 0.00 WT1 H ATOM 24532 OH2 TIP3 8427 72.520 42.193 -16.605 1.00 0.00 WT1 O ATOM 24533 H1 TIP3 8427 72.597 42.289 -17.554 1.00 0.00 WT1 H ATOM 24534 H2 TIP3 8427 71.642 42.515 -16.402 1.00 0.00 WT1 H ATOM 24535 OH2 TIP3 8428 67.349 48.131 10.145 1.00 0.00 WT1 O ATOM 24536 H1 TIP3 8428 66.535 48.512 10.474 1.00 0.00 WT1 H ATOM 24537 H2 TIP3 8428 67.261 47.193 10.318 1.00 0.00 WT1 H ATOM 24538 OH2 TIP3 8429 79.763 20.703 -3.238 1.00 0.00 WT1 O ATOM 24539 H1 TIP3 8429 79.950 21.189 -2.435 1.00 0.00 WT1 H ATOM 24540 H2 TIP3 8429 79.678 21.377 -3.913 1.00 0.00 WT1 H ATOM 24541 OH2 TIP3 8430 50.291 37.808 0.573 1.00 0.00 WT1 O ATOM 24542 H1 TIP3 8430 49.946 37.212 1.238 1.00 0.00 WT1 H ATOM 24543 H2 TIP3 8430 50.243 38.674 0.979 1.00 0.00 WT1 H ATOM 24544 OH2 TIP3 8431 66.028 72.482 -5.357 1.00 0.00 WT1 O ATOM 24545 H1 TIP3 8431 65.551 72.494 -6.187 1.00 0.00 WT1 H ATOM 24546 H2 TIP3 8431 65.540 73.080 -4.791 1.00 0.00 WT1 H ATOM 24547 OH2 TIP3 8432 36.433 1.535 8.279 1.00 0.00 WT1 O ATOM 24548 H1 TIP3 8432 36.110 0.644 8.418 1.00 0.00 WT1 H ATOM 24549 H2 TIP3 8432 36.460 1.919 9.155 1.00 0.00 WT1 H ATOM 24550 OH2 TIP3 8433 41.438 25.075 22.762 1.00 0.00 WT1 O ATOM 24551 H1 TIP3 8433 42.207 25.634 22.653 1.00 0.00 WT1 H ATOM 24552 H2 TIP3 8433 41.223 24.787 21.875 1.00 0.00 WT1 H ATOM 24553 OH2 TIP3 8434 40.681 9.088 19.775 1.00 0.00 WT1 O ATOM 24554 H1 TIP3 8434 41.150 8.429 20.286 1.00 0.00 WT1 H ATOM 24555 H2 TIP3 8434 41.020 9.925 20.093 1.00 0.00 WT1 H ATOM 24556 OH2 TIP3 8435 56.755 24.872 64.723 1.00 0.00 WT1 O ATOM 24557 H1 TIP3 8435 57.539 24.339 64.850 1.00 0.00 WT1 H ATOM 24558 H2 TIP3 8435 56.089 24.252 64.425 1.00 0.00 WT1 H ATOM 24559 OH2 TIP3 8436 40.312 11.947 6.896 1.00 0.00 WT1 O ATOM 24560 H1 TIP3 8436 40.543 12.869 6.779 1.00 0.00 WT1 H ATOM 24561 H2 TIP3 8436 39.376 11.908 6.697 1.00 0.00 WT1 H ATOM 24562 OH2 TIP3 8437 21.825 9.416 31.761 1.00 0.00 WT1 O ATOM 24563 H1 TIP3 8437 22.509 10.055 31.562 1.00 0.00 WT1 H ATOM 24564 H2 TIP3 8437 21.168 9.913 32.249 1.00 0.00 WT1 H ATOM 24565 OH2 TIP3 8438 58.030 37.187 52.437 1.00 0.00 WT1 O ATOM 24566 H1 TIP3 8438 58.868 37.633 52.314 1.00 0.00 WT1 H ATOM 24567 H2 TIP3 8438 57.394 37.895 52.541 1.00 0.00 WT1 H ATOM 24568 OH2 TIP3 8439 63.146 23.467 53.324 1.00 0.00 WT1 O ATOM 24569 H1 TIP3 8439 63.005 24.402 53.472 1.00 0.00 WT1 H ATOM 24570 H2 TIP3 8439 62.441 23.209 52.731 1.00 0.00 WT1 H ATOM 24571 OH2 TIP3 8441 75.828 32.072 54.582 1.00 0.00 WT1 O ATOM 24572 H1 TIP3 8441 76.429 31.372 54.327 1.00 0.00 WT1 H ATOM 24573 H2 TIP3 8441 75.303 31.692 55.286 1.00 0.00 WT1 H ATOM 24574 OH2 TIP3 8442 78.669 80.599 66.787 1.00 0.00 WT1 O ATOM 24575 H1 TIP3 8442 78.447 80.638 67.718 1.00 0.00 WT1 H ATOM 24576 H2 TIP3 8442 79.469 81.118 66.710 1.00 0.00 WT1 H ATOM 24577 OH2 TIP3 8443 66.140 49.902 22.754 1.00 0.00 WT1 O ATOM 24578 H1 TIP3 8443 66.508 50.785 22.777 1.00 0.00 WT1 H ATOM 24579 H2 TIP3 8443 65.339 49.989 22.238 1.00 0.00 WT1 H ATOM 24580 OH2 TIP3 8444 37.509 18.762 19.312 1.00 0.00 WT1 O ATOM 24581 H1 TIP3 8444 38.247 18.312 18.901 1.00 0.00 WT1 H ATOM 24582 H2 TIP3 8444 36.789 18.660 18.690 1.00 0.00 WT1 H ATOM 24583 OH2 TIP3 8445 90.963 36.289 18.251 1.00 0.00 WT1 O ATOM 24584 H1 TIP3 8445 90.469 36.015 17.478 1.00 0.00 WT1 H ATOM 24585 H2 TIP3 8445 90.299 36.416 18.928 1.00 0.00 WT1 H ATOM 24586 OH2 TIP3 8446 58.371 10.511 15.323 1.00 0.00 WT1 O ATOM 24587 H1 TIP3 8446 58.991 10.158 14.684 1.00 0.00 WT1 H ATOM 24588 H2 TIP3 8446 58.495 9.970 16.102 1.00 0.00 WT1 H ATOM 24589 OH2 TIP3 8448 25.758 44.898 -3.757 1.00 0.00 WT1 O ATOM 24590 H1 TIP3 8448 25.067 44.996 -3.102 1.00 0.00 WT1 H ATOM 24591 H2 TIP3 8448 26.381 45.596 -3.556 1.00 0.00 WT1 H ATOM 24592 OH2 TIP3 8450 84.162 81.552 -1.388 1.00 0.00 WT1 O ATOM 24593 H1 TIP3 8450 84.250 80.653 -1.704 1.00 0.00 WT1 H ATOM 24594 H2 TIP3 8450 84.416 81.508 -0.466 1.00 0.00 WT1 H ATOM 24595 OH2 TIP3 8451 31.411 89.937 60.509 1.00 0.00 WT1 O ATOM 24596 H1 TIP3 8451 30.904 89.256 60.951 1.00 0.00 WT1 H ATOM 24597 H2 TIP3 8451 30.788 90.652 60.376 1.00 0.00 WT1 H ATOM 24598 OH2 TIP3 8453 28.681 4.082 4.494 1.00 0.00 WT1 O ATOM 24599 H1 TIP3 8453 28.603 3.128 4.508 1.00 0.00 WT1 H ATOM 24600 H2 TIP3 8453 29.250 4.288 5.235 1.00 0.00 WT1 H ATOM 24601 OH2 TIP3 8454 85.683 19.492 6.333 1.00 0.00 WT1 O ATOM 24602 H1 TIP3 8454 86.287 20.230 6.261 1.00 0.00 WT1 H ATOM 24603 H2 TIP3 8454 84.859 19.884 6.622 1.00 0.00 WT1 H ATOM 24604 OH2 TIP3 8455 29.271 48.091 26.634 1.00 0.00 WT1 O ATOM 24605 H1 TIP3 8455 29.944 48.340 26.001 1.00 0.00 WT1 H ATOM 24606 H2 TIP3 8455 28.746 47.432 26.180 1.00 0.00 WT1 H ATOM 24607 OH2 TIP3 8456 42.485 3.807 17.941 1.00 0.00 WT1 O ATOM 24608 H1 TIP3 8456 43.431 3.660 17.920 1.00 0.00 WT1 H ATOM 24609 H2 TIP3 8456 42.113 3.038 17.509 1.00 0.00 WT1 H ATOM 24610 OH2 TIP3 8457 82.508 10.169 -7.134 1.00 0.00 WT1 O ATOM 24611 H1 TIP3 8457 82.926 10.238 -6.275 1.00 0.00 WT1 H ATOM 24612 H2 TIP3 8457 82.024 10.988 -7.231 1.00 0.00 WT1 H ATOM 24613 OH2 TIP3 8458 34.562 78.085 56.195 1.00 0.00 WT1 O ATOM 24614 H1 TIP3 8458 34.955 77.245 55.961 1.00 0.00 WT1 H ATOM 24615 H2 TIP3 8458 34.430 78.531 55.358 1.00 0.00 WT1 H ATOM 24616 OH2 TIP3 8459 61.290 85.401 5.401 1.00 0.00 WT1 O ATOM 24617 H1 TIP3 8459 60.662 84.743 5.699 1.00 0.00 WT1 H ATOM 24618 H2 TIP3 8459 60.792 85.950 4.795 1.00 0.00 WT1 H ATOM 24619 OH2 TIP3 8460 44.540 63.664 44.236 1.00 0.00 WT1 O ATOM 24620 H1 TIP3 8460 44.666 63.866 43.309 1.00 0.00 WT1 H ATOM 24621 H2 TIP3 8460 45.072 62.883 44.387 1.00 0.00 WT1 H ATOM 24622 OH2 TIP3 8461 48.070 94.416 66.344 1.00 0.00 WT1 O ATOM 24623 H1 TIP3 8461 48.813 93.850 66.132 1.00 0.00 WT1 H ATOM 24624 H2 TIP3 8461 48.463 95.268 66.530 1.00 0.00 WT1 H ATOM 24625 OH2 TIP3 8462 24.126 14.419 56.717 1.00 0.00 WT1 O ATOM 24626 H1 TIP3 8462 23.613 13.792 56.206 1.00 0.00 WT1 H ATOM 24627 H2 TIP3 8462 25.021 14.320 56.391 1.00 0.00 WT1 H ATOM 24628 OH2 TIP3 8463 71.069 17.742 35.277 1.00 0.00 WT1 O ATOM 24629 H1 TIP3 8463 70.421 17.820 34.577 1.00 0.00 WT1 H ATOM 24630 H2 TIP3 8463 70.565 17.854 36.084 1.00 0.00 WT1 H ATOM 24631 OH2 TIP3 8464 41.369 85.577 43.110 1.00 0.00 WT1 O ATOM 24632 H1 TIP3 8464 41.521 85.639 44.053 1.00 0.00 WT1 H ATOM 24633 H2 TIP3 8464 41.815 84.771 42.848 1.00 0.00 WT1 H ATOM 24634 OH2 TIP3 8465 69.175 27.586 -7.821 1.00 0.00 WT1 O ATOM 24635 H1 TIP3 8465 68.924 27.363 -8.718 1.00 0.00 WT1 H ATOM 24636 H2 TIP3 8465 68.414 28.046 -7.466 1.00 0.00 WT1 H ATOM 24637 OH2 TIP3 8466 87.954 92.037 52.889 1.00 0.00 WT1 O ATOM 24638 H1 TIP3 8466 87.890 91.160 53.269 1.00 0.00 WT1 H ATOM 24639 H2 TIP3 8466 87.392 92.003 52.114 1.00 0.00 WT1 H ATOM 24640 OH2 TIP3 8467 44.707 7.794 -19.606 1.00 0.00 WT1 O ATOM 24641 H1 TIP3 8467 43.796 7.537 -19.748 1.00 0.00 WT1 H ATOM 24642 H2 TIP3 8467 45.073 7.094 -19.066 1.00 0.00 WT1 H ATOM 24643 OH2 TIP3 8468 29.360 31.113 62.597 1.00 0.00 WT1 O ATOM 24644 H1 TIP3 8468 29.683 30.475 61.960 1.00 0.00 WT1 H ATOM 24645 H2 TIP3 8468 29.589 31.963 62.221 1.00 0.00 WT1 H ATOM 24646 OH2 TIP3 8469 64.000 24.000 31.478 1.00 0.00 WT1 O ATOM 24647 H1 TIP3 8469 63.166 24.328 31.141 1.00 0.00 WT1 H ATOM 24648 H2 TIP3 8469 63.874 23.054 31.551 1.00 0.00 WT1 H ATOM 24649 OH2 TIP3 8470 21.203 43.831 -8.635 1.00 0.00 WT1 O ATOM 24650 H1 TIP3 8470 20.998 42.945 -8.339 1.00 0.00 WT1 H ATOM 24651 H2 TIP3 8470 21.537 44.274 -7.855 1.00 0.00 WT1 H ATOM 24652 OH2 TIP3 8471 26.913 36.105 12.338 1.00 0.00 WT1 O ATOM 24653 H1 TIP3 8471 26.757 36.406 11.442 1.00 0.00 WT1 H ATOM 24654 H2 TIP3 8471 27.859 36.189 12.458 1.00 0.00 WT1 H ATOM 24655 OH2 TIP3 8472 27.677 24.287 -4.415 1.00 0.00 WT1 O ATOM 24656 H1 TIP3 8472 27.041 24.756 -4.956 1.00 0.00 WT1 H ATOM 24657 H2 TIP3 8472 28.515 24.422 -4.858 1.00 0.00 WT1 H ATOM 24658 OH2 TIP3 8473 77.706 34.409 30.152 1.00 0.00 WT1 O ATOM 24659 H1 TIP3 8473 76.995 34.143 29.568 1.00 0.00 WT1 H ATOM 24660 H2 TIP3 8473 78.205 35.050 29.645 1.00 0.00 WT1 H ATOM 24661 OH2 TIP3 8474 32.198 28.028 34.010 1.00 0.00 WT1 O ATOM 24662 H1 TIP3 8474 31.595 28.473 33.415 1.00 0.00 WT1 H ATOM 24663 H2 TIP3 8474 32.435 27.221 33.553 1.00 0.00 WT1 H ATOM 24664 OH2 TIP3 8475 40.042 41.931 -0.419 1.00 0.00 WT1 O ATOM 24665 H1 TIP3 8475 40.679 41.408 0.067 1.00 0.00 WT1 H ATOM 24666 H2 TIP3 8475 39.207 41.756 0.015 1.00 0.00 WT1 H ATOM 24667 OH2 TIP3 8476 24.515 30.651 22.452 1.00 0.00 WT1 O ATOM 24668 H1 TIP3 8476 23.964 31.362 22.780 1.00 0.00 WT1 H ATOM 24669 H2 TIP3 8476 24.970 31.029 21.699 1.00 0.00 WT1 H ATOM 24670 OH2 TIP3 8477 23.526 9.508 64.967 1.00 0.00 WT1 O ATOM 24671 H1 TIP3 8477 24.077 9.652 65.736 1.00 0.00 WT1 H ATOM 24672 H2 TIP3 8477 23.735 8.617 64.687 1.00 0.00 WT1 H ATOM 24673 OH2 TIP3 8478 80.573 77.458 44.329 1.00 0.00 WT1 O ATOM 24674 H1 TIP3 8478 81.346 77.044 44.712 1.00 0.00 WT1 H ATOM 24675 H2 TIP3 8478 80.553 77.139 43.426 1.00 0.00 WT1 H ATOM 24676 OH2 TIP3 8479 36.166 15.200 19.369 1.00 0.00 WT1 O ATOM 24677 H1 TIP3 8479 37.092 14.969 19.294 1.00 0.00 WT1 H ATOM 24678 H2 TIP3 8479 35.863 15.272 18.463 1.00 0.00 WT1 H ATOM 24679 OH2 TIP3 8480 86.794 38.145 56.072 1.00 0.00 WT1 O ATOM 24680 H1 TIP3 8480 85.899 37.998 55.766 1.00 0.00 WT1 H ATOM 24681 H2 TIP3 8480 87.227 37.299 55.962 1.00 0.00 WT1 H ATOM 24682 OH2 TIP3 8481 28.239 12.021 27.667 1.00 0.00 WT1 O ATOM 24683 H1 TIP3 8481 28.217 12.977 27.622 1.00 0.00 WT1 H ATOM 24684 H2 TIP3 8481 28.874 11.764 26.999 1.00 0.00 WT1 H ATOM 24685 OH2 TIP3 8482 37.448 6.871 28.886 1.00 0.00 WT1 O ATOM 24686 H1 TIP3 8482 38.384 6.888 29.087 1.00 0.00 WT1 H ATOM 24687 H2 TIP3 8482 37.077 6.262 29.525 1.00 0.00 WT1 H ATOM 24688 OH2 TIP3 8483 80.341 89.149 24.696 1.00 0.00 WT1 O ATOM 24689 H1 TIP3 8483 79.513 88.702 24.875 1.00 0.00 WT1 H ATOM 24690 H2 TIP3 8483 80.459 89.067 23.750 1.00 0.00 WT1 H ATOM 24691 OH2 TIP3 8484 74.803 22.624 44.560 1.00 0.00 WT1 O ATOM 24692 H1 TIP3 8484 74.096 22.233 44.047 1.00 0.00 WT1 H ATOM 24693 H2 TIP3 8484 75.473 21.941 44.605 1.00 0.00 WT1 H ATOM 24694 OH2 TIP3 8485 70.705 28.275 7.909 1.00 0.00 WT1 O ATOM 24695 H1 TIP3 8485 70.912 28.296 6.975 1.00 0.00 WT1 H ATOM 24696 H2 TIP3 8485 70.911 27.381 8.181 1.00 0.00 WT1 H ATOM 24697 OH2 TIP3 8486 26.285 13.106 -6.921 1.00 0.00 WT1 O ATOM 24698 H1 TIP3 8486 27.177 13.454 -6.951 1.00 0.00 WT1 H ATOM 24699 H2 TIP3 8486 25.972 13.325 -6.044 1.00 0.00 WT1 H ATOM 24700 OH2 TIP3 8487 71.366 38.699 36.002 1.00 0.00 WT1 O ATOM 24701 H1 TIP3 8487 70.966 38.978 35.178 1.00 0.00 WT1 H ATOM 24702 H2 TIP3 8487 72.155 39.235 36.080 1.00 0.00 WT1 H ATOM 24703 OH2 TIP3 8488 34.661 60.603 40.518 1.00 0.00 WT1 O ATOM 24704 H1 TIP3 8488 34.867 61.110 39.733 1.00 0.00 WT1 H ATOM 24705 H2 TIP3 8488 34.998 59.726 40.333 1.00 0.00 WT1 H ATOM 24706 OH2 TIP3 8489 35.191 25.076 4.837 1.00 0.00 WT1 O ATOM 24707 H1 TIP3 8489 35.427 25.946 5.158 1.00 0.00 WT1 H ATOM 24708 H2 TIP3 8489 34.455 24.808 5.387 1.00 0.00 WT1 H ATOM 24709 OH2 TIP3 8490 60.319 13.561 -11.723 1.00 0.00 WT1 O ATOM 24710 H1 TIP3 8490 59.919 14.349 -12.092 1.00 0.00 WT1 H ATOM 24711 H2 TIP3 8490 60.283 12.919 -12.432 1.00 0.00 WT1 H ATOM 24712 OH2 TIP3 8491 24.113 95.546 11.876 1.00 0.00 WT1 O ATOM 24713 H1 TIP3 8491 23.205 95.271 11.746 1.00 0.00 WT1 H ATOM 24714 H2 TIP3 8491 24.543 94.780 12.257 1.00 0.00 WT1 H ATOM 24715 OH2 TIP3 8492 75.705 28.567 23.705 1.00 0.00 WT1 O ATOM 24716 H1 TIP3 8492 76.030 27.783 24.147 1.00 0.00 WT1 H ATOM 24717 H2 TIP3 8492 76.476 28.936 23.274 1.00 0.00 WT1 H ATOM 24718 OH2 TIP3 8493 32.666 56.884 -8.098 1.00 0.00 WT1 O ATOM 24719 H1 TIP3 8493 32.820 57.039 -7.166 1.00 0.00 WT1 H ATOM 24720 H2 TIP3 8493 31.893 57.410 -8.304 1.00 0.00 WT1 H ATOM 24721 OH2 TIP3 8494 58.847 12.157 19.265 1.00 0.00 WT1 O ATOM 24722 H1 TIP3 8494 59.722 12.270 18.895 1.00 0.00 WT1 H ATOM 24723 H2 TIP3 8494 58.466 13.034 19.251 1.00 0.00 WT1 H ATOM 24724 OH2 TIP3 8495 44.966 93.148 -10.614 1.00 0.00 WT1 O ATOM 24725 H1 TIP3 8495 45.085 94.098 -10.607 1.00 0.00 WT1 H ATOM 24726 H2 TIP3 8495 45.493 92.834 -9.880 1.00 0.00 WT1 H ATOM 24727 OH2 TIP3 8496 22.405 9.256 60.405 1.00 0.00 WT1 O ATOM 24728 H1 TIP3 8496 22.676 8.849 59.582 1.00 0.00 WT1 H ATOM 24729 H2 TIP3 8496 22.773 10.139 60.369 1.00 0.00 WT1 H ATOM 24730 OH2 TIP3 8497 22.316 57.186 -2.093 1.00 0.00 WT1 O ATOM 24731 H1 TIP3 8497 21.706 56.487 -2.329 1.00 0.00 WT1 H ATOM 24732 H2 TIP3 8497 22.818 56.829 -1.360 1.00 0.00 WT1 H ATOM 24733 OH2 TIP3 8498 54.263 68.888 -6.702 1.00 0.00 WT1 O ATOM 24734 H1 TIP3 8498 54.698 68.315 -6.071 1.00 0.00 WT1 H ATOM 24735 H2 TIP3 8498 54.422 69.772 -6.372 1.00 0.00 WT1 H ATOM 24736 OH2 TIP3 8499 27.804 66.848 -3.394 1.00 0.00 WT1 O ATOM 24737 H1 TIP3 8499 26.969 66.770 -2.933 1.00 0.00 WT1 H ATOM 24738 H2 TIP3 8499 28.306 67.478 -2.876 1.00 0.00 WT1 H ATOM 24739 OH2 TIP3 8501 52.687 45.742 59.847 1.00 0.00 WT1 O ATOM 24740 H1 TIP3 8501 52.390 46.197 60.635 1.00 0.00 WT1 H ATOM 24741 H2 TIP3 8501 53.598 45.513 60.032 1.00 0.00 WT1 H ATOM 24742 OH2 TIP3 8502 31.016 19.593 44.437 1.00 0.00 WT1 O ATOM 24743 H1 TIP3 8502 30.852 19.099 43.634 1.00 0.00 WT1 H ATOM 24744 H2 TIP3 8502 30.350 20.280 44.437 1.00 0.00 WT1 H ATOM 24745 OH2 TIP3 8503 37.909 26.407 12.083 1.00 0.00 WT1 O ATOM 24746 H1 TIP3 8503 38.744 26.059 12.397 1.00 0.00 WT1 H ATOM 24747 H2 TIP3 8503 38.021 27.358 12.108 1.00 0.00 WT1 H ATOM 24748 OH2 TIP3 8504 25.494 0.033 25.301 1.00 0.00 WT1 O ATOM 24749 H1 TIP3 8504 26.082 0.751 25.068 1.00 0.00 WT1 H ATOM 24750 H2 TIP3 8504 26.045 -0.581 25.787 1.00 0.00 WT1 H ATOM 24751 OH2 TIP3 8505 86.293 85.104 -1.089 1.00 0.00 WT1 O ATOM 24752 H1 TIP3 8505 85.663 85.343 -0.408 1.00 0.00 WT1 H ATOM 24753 H2 TIP3 8505 87.085 84.863 -0.609 1.00 0.00 WT1 H ATOM 24754 OH2 TIP3 8507 69.826 32.117 9.238 1.00 0.00 WT1 O ATOM 24755 H1 TIP3 8507 69.396 32.240 8.392 1.00 0.00 WT1 H ATOM 24756 H2 TIP3 8507 69.865 32.995 9.618 1.00 0.00 WT1 H ATOM 24757 OH2 TIP3 8508 82.897 21.570 52.182 1.00 0.00 WT1 O ATOM 24758 H1 TIP3 8508 81.964 21.740 52.049 1.00 0.00 WT1 H ATOM 24759 H2 TIP3 8508 82.932 20.675 52.517 1.00 0.00 WT1 H ATOM 24760 OH2 TIP3 8509 29.907 3.249 56.271 1.00 0.00 WT1 O ATOM 24761 H1 TIP3 8509 29.192 3.575 56.818 1.00 0.00 WT1 H ATOM 24762 H2 TIP3 8509 29.475 2.711 55.608 1.00 0.00 WT1 H ATOM 24763 OH2 TIP3 8510 49.333 24.112 35.446 1.00 0.00 WT1 O ATOM 24764 H1 TIP3 8510 48.862 23.827 34.663 1.00 0.00 WT1 H ATOM 24765 H2 TIP3 8510 49.159 25.051 35.502 1.00 0.00 WT1 H ATOM 24766 OH2 TIP3 8511 58.826 13.926 -1.652 1.00 0.00 WT1 O ATOM 24767 H1 TIP3 8511 59.160 13.640 -2.501 1.00 0.00 WT1 H ATOM 24768 H2 TIP3 8511 58.723 13.118 -1.149 1.00 0.00 WT1 H ATOM 24769 OH2 TIP3 8512 23.268 70.530 40.047 1.00 0.00 WT1 O ATOM 24770 H1 TIP3 8512 24.063 70.282 40.520 1.00 0.00 WT1 H ATOM 24771 H2 TIP3 8512 23.585 71.001 39.277 1.00 0.00 WT1 H ATOM 24772 OH2 TIP3 8513 63.239 77.942 19.163 1.00 0.00 WT1 O ATOM 24773 H1 TIP3 8513 63.583 77.436 19.899 1.00 0.00 WT1 H ATOM 24774 H2 TIP3 8513 63.809 77.714 18.428 1.00 0.00 WT1 H ATOM 24775 OH2 TIP3 8514 54.404 23.850 0.361 1.00 0.00 WT1 O ATOM 24776 H1 TIP3 8514 53.872 24.096 -0.396 1.00 0.00 WT1 H ATOM 24777 H2 TIP3 8514 54.954 24.616 0.526 1.00 0.00 WT1 H ATOM 24778 OH2 TIP3 8515 84.754 28.872 24.209 1.00 0.00 WT1 O ATOM 24779 H1 TIP3 8515 85.040 28.337 24.949 1.00 0.00 WT1 H ATOM 24780 H2 TIP3 8515 84.675 29.756 24.568 1.00 0.00 WT1 H ATOM 24781 OH2 TIP3 8516 83.189 73.620 19.396 1.00 0.00 WT1 O ATOM 24782 H1 TIP3 8516 82.980 73.587 20.329 1.00 0.00 WT1 H ATOM 24783 H2 TIP3 8516 83.120 74.547 19.168 1.00 0.00 WT1 H ATOM 24784 OH2 TIP3 8517 51.599 16.003 57.857 1.00 0.00 WT1 O ATOM 24785 H1 TIP3 8517 51.333 16.894 58.083 1.00 0.00 WT1 H ATOM 24786 H2 TIP3 8517 50.776 15.528 57.747 1.00 0.00 WT1 H ATOM 24787 OH2 TIP3 8518 76.243 25.521 38.511 1.00 0.00 WT1 O ATOM 24788 H1 TIP3 8518 76.686 25.624 37.669 1.00 0.00 WT1 H ATOM 24789 H2 TIP3 8518 76.891 25.798 39.159 1.00 0.00 WT1 H ATOM 24790 OH2 TIP3 8519 44.226 87.036 28.319 1.00 0.00 WT1 O ATOM 24791 H1 TIP3 8519 44.144 87.863 28.795 1.00 0.00 WT1 H ATOM 24792 H2 TIP3 8519 44.227 87.289 27.396 1.00 0.00 WT1 H ATOM 24793 OH2 TIP3 8520 72.094 48.703 8.913 1.00 0.00 WT1 O ATOM 24794 H1 TIP3 8520 71.472 49.120 9.509 1.00 0.00 WT1 H ATOM 24795 H2 TIP3 8520 71.580 48.507 8.130 1.00 0.00 WT1 H ATOM 24796 OH2 TIP3 8521 62.739 85.623 28.727 1.00 0.00 WT1 O ATOM 24797 H1 TIP3 8521 62.056 85.588 29.396 1.00 0.00 WT1 H ATOM 24798 H2 TIP3 8521 63.238 84.815 28.851 1.00 0.00 WT1 H ATOM 24799 OH2 TIP3 8522 55.350 92.451 62.152 1.00 0.00 WT1 O ATOM 24800 H1 TIP3 8522 55.969 92.607 61.439 1.00 0.00 WT1 H ATOM 24801 H2 TIP3 8522 55.875 92.039 62.839 1.00 0.00 WT1 H ATOM 24802 OH2 TIP3 8523 63.042 22.303 17.251 1.00 0.00 WT1 O ATOM 24803 H1 TIP3 8523 62.696 23.167 17.029 1.00 0.00 WT1 H ATOM 24804 H2 TIP3 8523 62.537 22.031 18.017 1.00 0.00 WT1 H ATOM 24805 OH2 TIP3 8524 46.343 81.777 10.569 1.00 0.00 WT1 O ATOM 24806 H1 TIP3 8524 46.593 80.893 10.298 1.00 0.00 WT1 H ATOM 24807 H2 TIP3 8524 47.143 82.149 10.941 1.00 0.00 WT1 H ATOM 24808 OH2 TIP3 8525 54.324 93.072 18.985 1.00 0.00 WT1 O ATOM 24809 H1 TIP3 8525 53.430 93.113 18.643 1.00 0.00 WT1 H ATOM 24810 H2 TIP3 8525 54.242 93.333 19.902 1.00 0.00 WT1 H ATOM 24811 OH2 TIP3 8526 72.584 11.375 -7.604 1.00 0.00 WT1 O ATOM 24812 H1 TIP3 8526 73.524 11.367 -7.427 1.00 0.00 WT1 H ATOM 24813 H2 TIP3 8526 72.292 12.238 -7.311 1.00 0.00 WT1 H ATOM 24814 OH2 TIP3 8527 58.712 4.939 52.143 1.00 0.00 WT1 O ATOM 24815 H1 TIP3 8527 57.800 4.919 52.434 1.00 0.00 WT1 H ATOM 24816 H2 TIP3 8527 58.838 4.106 51.688 1.00 0.00 WT1 H ATOM 24817 OH2 TIP3 8528 27.820 79.461 -3.221 1.00 0.00 WT1 O ATOM 24818 H1 TIP3 8528 28.442 78.938 -3.727 1.00 0.00 WT1 H ATOM 24819 H2 TIP3 8528 28.059 79.300 -2.308 1.00 0.00 WT1 H ATOM 24820 OH2 TIP3 8529 50.162 31.229 58.452 1.00 0.00 WT1 O ATOM 24821 H1 TIP3 8529 50.336 32.170 58.438 1.00 0.00 WT1 H ATOM 24822 H2 TIP3 8529 50.738 30.869 57.777 1.00 0.00 WT1 H ATOM 24823 OH2 TIP3 8530 84.142 20.764 47.700 1.00 0.00 WT1 O ATOM 24824 H1 TIP3 8530 85.037 20.472 47.530 1.00 0.00 WT1 H ATOM 24825 H2 TIP3 8530 84.222 21.704 47.860 1.00 0.00 WT1 H ATOM 24826 OH2 TIP3 8531 56.880 28.463 11.837 1.00 0.00 WT1 O ATOM 24827 H1 TIP3 8531 55.968 28.320 12.089 1.00 0.00 WT1 H ATOM 24828 H2 TIP3 8531 56.845 29.179 11.203 1.00 0.00 WT1 H ATOM 24829 OH2 TIP3 8532 21.514 42.296 22.192 1.00 0.00 WT1 O ATOM 24830 H1 TIP3 8532 20.943 42.567 22.910 1.00 0.00 WT1 H ATOM 24831 H2 TIP3 8532 22.399 42.361 22.551 1.00 0.00 WT1 H ATOM 24832 OH2 TIP3 8533 61.331 9.957 16.606 1.00 0.00 WT1 O ATOM 24833 H1 TIP3 8533 61.700 9.380 17.276 1.00 0.00 WT1 H ATOM 24834 H2 TIP3 8533 60.976 10.698 17.096 1.00 0.00 WT1 H ATOM 24835 OH2 TIP3 8534 81.141 30.542 41.282 1.00 0.00 WT1 O ATOM 24836 H1 TIP3 8534 80.230 30.700 41.528 1.00 0.00 WT1 H ATOM 24837 H2 TIP3 8534 81.184 29.602 41.111 1.00 0.00 WT1 H ATOM 24838 OH2 TIP3 8535 22.442 7.611 40.995 1.00 0.00 WT1 O ATOM 24839 H1 TIP3 8535 22.927 6.902 40.573 1.00 0.00 WT1 H ATOM 24840 H2 TIP3 8535 22.594 8.372 40.434 1.00 0.00 WT1 H ATOM 24841 OH2 TIP3 8536 27.981 35.687 19.557 1.00 0.00 WT1 O ATOM 24842 H1 TIP3 8536 27.193 36.219 19.662 1.00 0.00 WT1 H ATOM 24843 H2 TIP3 8536 28.180 35.735 18.622 1.00 0.00 WT1 H ATOM 24844 OH2 TIP3 8538 31.557 14.684 -2.864 1.00 0.00 WT1 O ATOM 24845 H1 TIP3 8538 31.074 14.155 -3.498 1.00 0.00 WT1 H ATOM 24846 H2 TIP3 8538 32.472 14.611 -3.137 1.00 0.00 WT1 H ATOM 24847 OH2 TIP3 8539 62.005 86.684 66.552 1.00 0.00 WT1 O ATOM 24848 H1 TIP3 8539 61.916 87.155 67.381 1.00 0.00 WT1 H ATOM 24849 H2 TIP3 8539 62.891 86.887 66.254 1.00 0.00 WT1 H ATOM 24850 OH2 TIP3 8540 21.794 45.233 61.022 1.00 0.00 WT1 O ATOM 24851 H1 TIP3 8540 21.011 45.498 61.503 1.00 0.00 WT1 H ATOM 24852 H2 TIP3 8540 22.513 45.372 61.638 1.00 0.00 WT1 H ATOM 24853 OH2 TIP3 8541 60.082 29.578 -0.531 1.00 0.00 WT1 O ATOM 24854 H1 TIP3 8541 59.933 29.105 -1.350 1.00 0.00 WT1 H ATOM 24855 H2 TIP3 8541 60.954 29.960 -0.630 1.00 0.00 WT1 H ATOM 24856 OH2 TIP3 8542 39.636 52.978 -7.438 1.00 0.00 WT1 O ATOM 24857 H1 TIP3 8542 39.853 52.331 -6.766 1.00 0.00 WT1 H ATOM 24858 H2 TIP3 8542 39.724 53.822 -6.995 1.00 0.00 WT1 H ATOM 24859 OH2 TIP3 8543 23.545 10.299 -12.068 1.00 0.00 WT1 O ATOM 24860 H1 TIP3 8543 23.546 9.352 -12.212 1.00 0.00 WT1 H ATOM 24861 H2 TIP3 8543 22.994 10.423 -11.295 1.00 0.00 WT1 H ATOM 24862 OH2 TIP3 8544 23.811 22.157 32.995 1.00 0.00 WT1 O ATOM 24863 H1 TIP3 8544 24.628 21.942 33.447 1.00 0.00 WT1 H ATOM 24864 H2 TIP3 8544 23.605 23.046 33.282 1.00 0.00 WT1 H ATOM 24865 OH2 TIP3 8545 66.474 73.242 -9.282 1.00 0.00 WT1 O ATOM 24866 H1 TIP3 8545 66.026 72.437 -9.543 1.00 0.00 WT1 H ATOM 24867 H2 TIP3 8545 65.882 73.944 -9.553 1.00 0.00 WT1 H ATOM 24868 OH2 TIP3 8546 39.306 9.221 5.431 1.00 0.00 WT1 O ATOM 24869 H1 TIP3 8546 39.417 9.574 4.549 1.00 0.00 WT1 H ATOM 24870 H2 TIP3 8546 38.576 9.718 5.800 1.00 0.00 WT1 H ATOM 24871 OH2 TIP3 8547 88.540 86.835 36.774 1.00 0.00 WT1 O ATOM 24872 H1 TIP3 8547 87.727 86.629 36.313 1.00 0.00 WT1 H ATOM 24873 H2 TIP3 8547 89.172 86.196 36.444 1.00 0.00 WT1 H ATOM 24874 OH2 TIP3 8548 54.866 22.543 38.928 1.00 0.00 WT1 O ATOM 24875 H1 TIP3 8548 54.761 22.364 39.863 1.00 0.00 WT1 H ATOM 24876 H2 TIP3 8548 55.598 23.158 38.883 1.00 0.00 WT1 H ATOM 24877 OH2 TIP3 8549 32.776 41.972 24.899 1.00 0.00 WT1 O ATOM 24878 H1 TIP3 8549 33.627 41.556 25.038 1.00 0.00 WT1 H ATOM 24879 H2 TIP3 8549 32.769 42.198 23.969 1.00 0.00 WT1 H ATOM 24880 OH2 TIP3 8550 48.317 1.489 -19.234 1.00 0.00 WT1 O ATOM 24881 H1 TIP3 8550 48.127 2.425 -19.169 1.00 0.00 WT1 H ATOM 24882 H2 TIP3 8550 47.559 1.062 -18.835 1.00 0.00 WT1 H ATOM 24883 OH2 TIP3 8551 49.008 21.746 -4.202 1.00 0.00 WT1 O ATOM 24884 H1 TIP3 8551 48.400 21.015 -4.094 1.00 0.00 WT1 H ATOM 24885 H2 TIP3 8551 48.962 22.222 -3.372 1.00 0.00 WT1 H ATOM 24886 OH2 TIP3 8552 36.613 93.456 6.706 1.00 0.00 WT1 O ATOM 24887 H1 TIP3 8552 36.337 93.326 7.614 1.00 0.00 WT1 H ATOM 24888 H2 TIP3 8552 37.432 92.967 6.632 1.00 0.00 WT1 H ATOM 24889 OH2 TIP3 8553 48.187 28.523 -4.279 1.00 0.00 WT1 O ATOM 24890 H1 TIP3 8553 47.979 29.418 -4.009 1.00 0.00 WT1 H ATOM 24891 H2 TIP3 8553 47.583 27.975 -3.778 1.00 0.00 WT1 H ATOM 24892 OH2 TIP3 8554 44.417 10.551 15.975 1.00 0.00 WT1 O ATOM 24893 H1 TIP3 8554 43.583 10.603 16.442 1.00 0.00 WT1 H ATOM 24894 H2 TIP3 8554 44.678 11.464 15.850 1.00 0.00 WT1 H ATOM 24895 OH2 TIP3 8555 30.459 81.343 32.518 1.00 0.00 WT1 O ATOM 24896 H1 TIP3 8555 30.534 80.575 31.952 1.00 0.00 WT1 H ATOM 24897 H2 TIP3 8555 29.791 81.104 33.161 1.00 0.00 WT1 H ATOM 24898 OH2 TIP3 8556 28.208 12.710 -2.214 1.00 0.00 WT1 O ATOM 24899 H1 TIP3 8556 28.630 12.831 -1.364 1.00 0.00 WT1 H ATOM 24900 H2 TIP3 8556 28.931 12.550 -2.821 1.00 0.00 WT1 H ATOM 24901 OH2 TIP3 8557 28.751 20.612 60.770 1.00 0.00 WT1 O ATOM 24902 H1 TIP3 8557 28.446 19.861 61.280 1.00 0.00 WT1 H ATOM 24903 H2 TIP3 8557 28.009 21.216 60.765 1.00 0.00 WT1 H ATOM 24904 OH2 TIP3 8558 75.546 71.858 7.544 1.00 0.00 WT1 O ATOM 24905 H1 TIP3 8558 75.744 71.066 8.044 1.00 0.00 WT1 H ATOM 24906 H2 TIP3 8558 75.259 71.537 6.690 1.00 0.00 WT1 H ATOM 24907 OH2 TIP3 8559 59.652 17.826 -18.846 1.00 0.00 WT1 O ATOM 24908 H1 TIP3 8559 59.551 17.772 -17.896 1.00 0.00 WT1 H ATOM 24909 H2 TIP3 8559 58.815 17.520 -19.194 1.00 0.00 WT1 H ATOM 24910 OH2 TIP3 8560 21.128 19.739 2.016 1.00 0.00 WT1 O ATOM 24911 H1 TIP3 8560 20.505 20.126 1.401 1.00 0.00 WT1 H ATOM 24912 H2 TIP3 8560 20.582 19.337 2.691 1.00 0.00 WT1 H ATOM 24913 OH2 TIP3 8561 39.414 62.931 44.754 1.00 0.00 WT1 O ATOM 24914 H1 TIP3 8561 39.389 63.300 43.872 1.00 0.00 WT1 H ATOM 24915 H2 TIP3 8561 40.317 63.062 45.043 1.00 0.00 WT1 H ATOM 24916 OH2 TIP3 8562 40.227 25.581 12.876 1.00 0.00 WT1 O ATOM 24917 H1 TIP3 8562 40.694 24.868 13.311 1.00 0.00 WT1 H ATOM 24918 H2 TIP3 8562 40.744 26.362 13.073 1.00 0.00 WT1 H ATOM 24919 OH2 TIP3 8563 48.245 48.751 -2.995 1.00 0.00 WT1 O ATOM 24920 H1 TIP3 8563 47.842 49.293 -2.316 1.00 0.00 WT1 H ATOM 24921 H2 TIP3 8563 48.999 48.349 -2.564 1.00 0.00 WT1 H ATOM 24922 OH2 TIP3 8565 61.423 65.882 36.753 1.00 0.00 WT1 O ATOM 24923 H1 TIP3 8565 60.491 65.941 36.541 1.00 0.00 WT1 H ATOM 24924 H2 TIP3 8565 61.811 65.428 36.005 1.00 0.00 WT1 H ATOM 24925 OH2 TIP3 8566 80.593 88.737 12.647 1.00 0.00 WT1 O ATOM 24926 H1 TIP3 8566 80.309 87.887 12.313 1.00 0.00 WT1 H ATOM 24927 H2 TIP3 8566 80.972 88.544 13.505 1.00 0.00 WT1 H ATOM 24928 OH2 TIP3 8567 65.543 5.933 20.286 1.00 0.00 WT1 O ATOM 24929 H1 TIP3 8567 65.832 6.613 20.894 1.00 0.00 WT1 H ATOM 24930 H2 TIP3 8567 64.593 6.042 20.238 1.00 0.00 WT1 H ATOM 24931 OH2 TIP3 8569 87.822 42.924 21.444 1.00 0.00 WT1 O ATOM 24932 H1 TIP3 8569 87.526 43.434 20.690 1.00 0.00 WT1 H ATOM 24933 H2 TIP3 8569 88.773 43.030 21.448 1.00 0.00 WT1 H ATOM 24934 OH2 TIP3 8571 86.816 47.142 12.443 1.00 0.00 WT1 O ATOM 24935 H1 TIP3 8571 87.174 47.175 13.330 1.00 0.00 WT1 H ATOM 24936 H2 TIP3 8571 86.109 46.498 12.493 1.00 0.00 WT1 H ATOM 24937 OH2 TIP3 8572 44.731 6.354 9.899 1.00 0.00 WT1 O ATOM 24938 H1 TIP3 8572 43.844 6.635 9.677 1.00 0.00 WT1 H ATOM 24939 H2 TIP3 8572 45.230 7.169 9.969 1.00 0.00 WT1 H ATOM 24940 OH2 TIP3 8573 42.675 3.438 47.030 1.00 0.00 WT1 O ATOM 24941 H1 TIP3 8573 41.934 3.474 47.635 1.00 0.00 WT1 H ATOM 24942 H2 TIP3 8573 42.768 4.335 46.710 1.00 0.00 WT1 H ATOM 24943 OH2 TIP3 8574 32.037 79.465 -15.779 1.00 0.00 WT1 O ATOM 24944 H1 TIP3 8574 31.134 79.749 -15.921 1.00 0.00 WT1 H ATOM 24945 H2 TIP3 8574 32.018 79.017 -14.933 1.00 0.00 WT1 H ATOM 24946 OH2 TIP3 8576 30.003 20.987 -1.326 1.00 0.00 WT1 O ATOM 24947 H1 TIP3 8576 30.906 21.261 -1.166 1.00 0.00 WT1 H ATOM 24948 H2 TIP3 8576 29.826 20.334 -0.650 1.00 0.00 WT1 H ATOM 24949 OH2 TIP3 8577 56.592 42.844 -12.544 1.00 0.00 WT1 O ATOM 24950 H1 TIP3 8577 56.684 42.211 -13.257 1.00 0.00 WT1 H ATOM 24951 H2 TIP3 8577 55.777 42.596 -12.107 1.00 0.00 WT1 H ATOM 24952 OH2 TIP3 8578 61.530 57.317 40.510 1.00 0.00 WT1 O ATOM 24953 H1 TIP3 8578 61.458 57.063 39.590 1.00 0.00 WT1 H ATOM 24954 H2 TIP3 8578 60.625 57.420 40.802 1.00 0.00 WT1 H ATOM 24955 OH2 TIP3 8579 36.342 35.789 -5.774 1.00 0.00 WT1 O ATOM 24956 H1 TIP3 8579 37.288 35.788 -5.628 1.00 0.00 WT1 H ATOM 24957 H2 TIP3 8579 36.086 36.708 -5.687 1.00 0.00 WT1 H ATOM 24958 OH2 TIP3 8580 76.928 68.845 13.927 1.00 0.00 WT1 O ATOM 24959 H1 TIP3 8580 76.875 67.944 14.246 1.00 0.00 WT1 H ATOM 24960 H2 TIP3 8580 76.153 68.950 13.375 1.00 0.00 WT1 H ATOM 24961 OH2 TIP3 8581 32.185 27.673 56.946 1.00 0.00 WT1 O ATOM 24962 H1 TIP3 8581 33.061 27.764 57.322 1.00 0.00 WT1 H ATOM 24963 H2 TIP3 8581 31.914 28.570 56.750 1.00 0.00 WT1 H ATOM 24964 OH2 TIP3 8582 34.366 9.124 44.911 1.00 0.00 WT1 O ATOM 24965 H1 TIP3 8582 33.695 9.663 45.330 1.00 0.00 WT1 H ATOM 24966 H2 TIP3 8582 35.193 9.543 45.148 1.00 0.00 WT1 H ATOM 24967 OH2 TIP3 8583 72.362 6.533 7.604 1.00 0.00 WT1 O ATOM 24968 H1 TIP3 8583 71.859 7.317 7.387 1.00 0.00 WT1 H ATOM 24969 H2 TIP3 8583 73.207 6.866 7.907 1.00 0.00 WT1 H ATOM 24970 OH2 TIP3 8584 50.186 9.789 2.288 1.00 0.00 WT1 O ATOM 24971 H1 TIP3 8584 49.711 8.978 2.472 1.00 0.00 WT1 H ATOM 24972 H2 TIP3 8584 49.523 10.476 2.355 1.00 0.00 WT1 H ATOM 24973 OH2 TIP3 8585 82.036 45.367 22.144 1.00 0.00 WT1 O ATOM 24974 H1 TIP3 8585 82.949 45.356 21.857 1.00 0.00 WT1 H ATOM 24975 H2 TIP3 8585 82.068 45.721 23.033 1.00 0.00 WT1 H ATOM 24976 OH2 TIP3 8586 81.980 29.363 3.012 1.00 0.00 WT1 O ATOM 24977 H1 TIP3 8586 81.581 29.031 2.208 1.00 0.00 WT1 H ATOM 24978 H2 TIP3 8586 82.200 28.577 3.513 1.00 0.00 WT1 H ATOM 24979 OH2 TIP3 8587 33.193 61.704 -19.951 1.00 0.00 WT1 O ATOM 24980 H1 TIP3 8587 33.463 62.251 -19.213 1.00 0.00 WT1 H ATOM 24981 H2 TIP3 8587 32.348 62.065 -20.221 1.00 0.00 WT1 H ATOM 24982 OH2 TIP3 8588 83.397 92.899 14.545 1.00 0.00 WT1 O ATOM 24983 H1 TIP3 8588 83.640 92.399 15.325 1.00 0.00 WT1 H ATOM 24984 H2 TIP3 8588 82.477 92.680 14.398 1.00 0.00 WT1 H ATOM 24985 OH2 TIP3 8589 68.922 15.176 -9.354 1.00 0.00 WT1 O ATOM 24986 H1 TIP3 8589 67.976 15.312 -9.404 1.00 0.00 WT1 H ATOM 24987 H2 TIP3 8589 69.118 14.579 -10.076 1.00 0.00 WT1 H ATOM 24988 OH2 TIP3 8590 35.823 37.018 10.083 1.00 0.00 WT1 O ATOM 24989 H1 TIP3 8590 35.900 37.570 10.861 1.00 0.00 WT1 H ATOM 24990 H2 TIP3 8590 34.938 36.658 10.131 1.00 0.00 WT1 H ATOM 24991 OH2 TIP3 8591 20.538 66.070 8.063 1.00 0.00 WT1 O ATOM 24992 H1 TIP3 8591 19.617 66.164 7.820 1.00 0.00 WT1 H ATOM 24993 H2 TIP3 8591 20.778 65.194 7.760 1.00 0.00 WT1 H ATOM 24994 OH2 TIP3 8592 31.106 93.980 -9.687 1.00 0.00 WT1 O ATOM 24995 H1 TIP3 8592 31.823 93.414 -9.405 1.00 0.00 WT1 H ATOM 24996 H2 TIP3 8592 31.430 94.399 -10.485 1.00 0.00 WT1 H ATOM 24997 OH2 TIP3 8593 75.226 88.657 -5.981 1.00 0.00 WT1 O ATOM 24998 H1 TIP3 8593 75.815 88.278 -6.633 1.00 0.00 WT1 H ATOM 24999 H2 TIP3 8593 74.696 89.285 -6.472 1.00 0.00 WT1 H ATOM 25000 OH2 TIP3 8594 71.255 8.377 -5.325 1.00 0.00 WT1 O ATOM 25001 H1 TIP3 8594 70.518 8.005 -4.841 1.00 0.00 WT1 H ATOM 25002 H2 TIP3 8594 71.988 8.344 -4.710 1.00 0.00 WT1 H ATOM 25003 OH2 TIP3 8595 51.077 3.169 33.706 1.00 0.00 WT1 O ATOM 25004 H1 TIP3 8595 51.893 2.715 33.494 1.00 0.00 WT1 H ATOM 25005 H2 TIP3 8595 50.993 3.841 33.029 1.00 0.00 WT1 H ATOM 25006 OH2 TIP3 8596 57.978 56.127 35.584 1.00 0.00 WT1 O ATOM 25007 H1 TIP3 8596 58.277 55.478 34.947 1.00 0.00 WT1 H ATOM 25008 H2 TIP3 8596 57.505 56.775 35.062 1.00 0.00 WT1 H ATOM 25009 OH2 TIP3 8597 85.543 48.198 40.630 1.00 0.00 WT1 O ATOM 25010 H1 TIP3 8597 85.218 48.620 39.834 1.00 0.00 WT1 H ATOM 25011 H2 TIP3 8597 86.435 48.529 40.730 1.00 0.00 WT1 H ATOM 25012 OH2 TIP3 8598 70.564 19.312 48.627 1.00 0.00 WT1 O ATOM 25013 H1 TIP3 8598 69.647 19.082 48.775 1.00 0.00 WT1 H ATOM 25014 H2 TIP3 8598 70.841 18.743 47.909 1.00 0.00 WT1 H ATOM 25015 OH2 TIP3 8600 87.166 55.963 14.586 1.00 0.00 WT1 O ATOM 25016 H1 TIP3 8600 86.742 55.637 15.380 1.00 0.00 WT1 H ATOM 25017 H2 TIP3 8600 88.033 56.246 14.876 1.00 0.00 WT1 H ATOM 25018 OH2 TIP3 8601 65.880 47.374 15.582 1.00 0.00 WT1 O ATOM 25019 H1 TIP3 8601 65.176 47.606 16.187 1.00 0.00 WT1 H ATOM 25020 H2 TIP3 8601 65.802 46.426 15.475 1.00 0.00 WT1 H ATOM 25021 OH2 TIP3 8602 88.917 63.559 49.086 1.00 0.00 WT1 O ATOM 25022 H1 TIP3 8602 89.113 64.341 49.602 1.00 0.00 WT1 H ATOM 25023 H2 TIP3 8602 89.468 63.641 48.307 1.00 0.00 WT1 H ATOM 25024 OH2 TIP3 8603 38.981 15.122 31.126 1.00 0.00 WT1 O ATOM 25025 H1 TIP3 8603 38.641 14.590 30.407 1.00 0.00 WT1 H ATOM 25026 H2 TIP3 8603 38.917 14.554 31.895 1.00 0.00 WT1 H ATOM 25027 OH2 TIP3 8604 85.648 14.120 55.874 1.00 0.00 WT1 O ATOM 25028 H1 TIP3 8604 85.036 14.672 55.386 1.00 0.00 WT1 H ATOM 25029 H2 TIP3 8604 85.098 13.640 56.493 1.00 0.00 WT1 H ATOM 25030 OH2 TIP3 8605 86.126 32.404 1.718 1.00 0.00 WT1 O ATOM 25031 H1 TIP3 8605 86.626 32.070 2.463 1.00 0.00 WT1 H ATOM 25032 H2 TIP3 8605 85.823 31.620 1.261 1.00 0.00 WT1 H ATOM 25033 OH2 TIP3 8606 49.832 0.986 6.267 1.00 0.00 WT1 O ATOM 25034 H1 TIP3 8606 50.629 0.617 5.885 1.00 0.00 WT1 H ATOM 25035 H2 TIP3 8606 49.344 0.226 6.583 1.00 0.00 WT1 H ATOM 25036 OH2 TIP3 8607 55.732 42.712 56.393 1.00 0.00 WT1 O ATOM 25037 H1 TIP3 8607 55.083 43.410 56.481 1.00 0.00 WT1 H ATOM 25038 H2 TIP3 8607 56.050 42.793 55.493 1.00 0.00 WT1 H ATOM 25039 OH2 TIP3 8608 70.414 27.138 38.527 1.00 0.00 WT1 O ATOM 25040 H1 TIP3 8608 70.918 26.738 37.818 1.00 0.00 WT1 H ATOM 25041 H2 TIP3 8608 70.081 26.397 39.032 1.00 0.00 WT1 H ATOM 25042 OH2 TIP3 8609 63.996 81.457 51.445 1.00 0.00 WT1 O ATOM 25043 H1 TIP3 8609 63.808 81.921 50.629 1.00 0.00 WT1 H ATOM 25044 H2 TIP3 8609 63.219 80.920 51.600 1.00 0.00 WT1 H ATOM 25045 OH2 TIP3 8611 61.112 23.542 8.047 1.00 0.00 WT1 O ATOM 25046 H1 TIP3 8611 60.381 23.515 8.665 1.00 0.00 WT1 H ATOM 25047 H2 TIP3 8611 61.870 23.265 8.561 1.00 0.00 WT1 H ATOM 25048 OH2 TIP3 8612 27.446 29.175 37.864 1.00 0.00 WT1 O ATOM 25049 H1 TIP3 8612 26.820 28.455 37.934 1.00 0.00 WT1 H ATOM 25050 H2 TIP3 8612 26.927 29.962 38.031 1.00 0.00 WT1 H ATOM 25051 OH2 TIP3 8613 85.119 13.372 46.213 1.00 0.00 WT1 O ATOM 25052 H1 TIP3 8613 85.474 14.255 46.113 1.00 0.00 WT1 H ATOM 25053 H2 TIP3 8613 84.171 13.486 46.145 1.00 0.00 WT1 H ATOM 25054 OH2 TIP3 8614 89.104 52.265 0.645 1.00 0.00 WT1 O ATOM 25055 H1 TIP3 8614 88.597 52.409 1.444 1.00 0.00 WT1 H ATOM 25056 H2 TIP3 8614 88.824 52.965 0.055 1.00 0.00 WT1 H ATOM 25057 OH2 TIP3 8615 31.540 4.093 26.797 1.00 0.00 WT1 O ATOM 25058 H1 TIP3 8615 32.130 3.761 26.121 1.00 0.00 WT1 H ATOM 25059 H2 TIP3 8615 31.271 4.955 26.479 1.00 0.00 WT1 H ATOM 25060 OH2 TIP3 8616 27.523 13.711 3.461 1.00 0.00 WT1 O ATOM 25061 H1 TIP3 8616 27.990 13.668 2.626 1.00 0.00 WT1 H ATOM 25062 H2 TIP3 8616 28.126 14.165 4.050 1.00 0.00 WT1 H ATOM 25063 OH2 TIP3 8617 65.295 52.465 -2.852 1.00 0.00 WT1 O ATOM 25064 H1 TIP3 8617 64.505 51.952 -2.682 1.00 0.00 WT1 H ATOM 25065 H2 TIP3 8617 64.969 53.311 -3.160 1.00 0.00 WT1 H ATOM 25066 OH2 TIP3 8618 83.689 65.370 30.531 1.00 0.00 WT1 O ATOM 25067 H1 TIP3 8618 83.359 66.204 30.864 1.00 0.00 WT1 H ATOM 25068 H2 TIP3 8618 83.977 65.564 29.640 1.00 0.00 WT1 H ATOM 25069 OH2 TIP3 8619 90.523 45.855 11.326 1.00 0.00 WT1 O ATOM 25070 H1 TIP3 8619 90.684 44.954 11.606 1.00 0.00 WT1 H ATOM 25071 H2 TIP3 8619 89.941 45.772 10.571 1.00 0.00 WT1 H ATOM 25072 OH2 TIP3 8620 62.539 2.498 5.704 1.00 0.00 WT1 O ATOM 25073 H1 TIP3 8620 62.698 1.728 5.158 1.00 0.00 WT1 H ATOM 25074 H2 TIP3 8620 62.324 2.140 6.565 1.00 0.00 WT1 H ATOM 25075 OH2 TIP3 8622 28.188 13.632 0.509 1.00 0.00 WT1 O ATOM 25076 H1 TIP3 8622 29.077 13.349 0.295 1.00 0.00 WT1 H ATOM 25077 H2 TIP3 8622 28.118 14.510 0.132 1.00 0.00 WT1 H ATOM 25078 OH2 TIP3 8623 32.100 64.775 27.434 1.00 0.00 WT1 O ATOM 25079 H1 TIP3 8623 32.710 65.356 26.980 1.00 0.00 WT1 H ATOM 25080 H2 TIP3 8623 32.618 63.998 27.643 1.00 0.00 WT1 H ATOM 25081 OH2 TIP3 8624 82.561 23.133 58.729 1.00 0.00 WT1 O ATOM 25082 H1 TIP3 8624 82.608 24.087 58.788 1.00 0.00 WT1 H ATOM 25083 H2 TIP3 8624 82.200 22.858 59.572 1.00 0.00 WT1 H ATOM 25084 OH2 TIP3 8625 79.857 94.090 7.954 1.00 0.00 WT1 O ATOM 25085 H1 TIP3 8625 80.073 94.607 7.179 1.00 0.00 WT1 H ATOM 25086 H2 TIP3 8625 80.269 94.560 8.679 1.00 0.00 WT1 H ATOM 25087 OH2 TIP3 8627 31.532 32.726 31.641 1.00 0.00 WT1 O ATOM 25088 H1 TIP3 8627 31.078 33.158 30.918 1.00 0.00 WT1 H ATOM 25089 H2 TIP3 8627 31.015 32.947 32.416 1.00 0.00 WT1 H ATOM 25090 OH2 TIP3 8628 83.482 49.455 42.639 1.00 0.00 WT1 O ATOM 25091 H1 TIP3 8628 83.623 48.788 43.311 1.00 0.00 WT1 H ATOM 25092 H2 TIP3 8628 84.002 49.156 41.892 1.00 0.00 WT1 H ATOM 25093 OH2 TIP3 8629 36.343 83.267 15.055 1.00 0.00 WT1 O ATOM 25094 H1 TIP3 8629 36.547 83.837 14.314 1.00 0.00 WT1 H ATOM 25095 H2 TIP3 8629 36.792 82.445 14.855 1.00 0.00 WT1 H ATOM 25096 OH2 TIP3 8630 61.900 60.987 48.100 1.00 0.00 WT1 O ATOM 25097 H1 TIP3 8630 61.104 60.824 48.606 1.00 0.00 WT1 H ATOM 25098 H2 TIP3 8630 62.336 60.136 48.058 1.00 0.00 WT1 H ATOM 25099 OH2 TIP3 8631 85.382 6.610 2.232 1.00 0.00 WT1 O ATOM 25100 H1 TIP3 8631 85.750 6.475 3.105 1.00 0.00 WT1 H ATOM 25101 H2 TIP3 8631 85.593 7.520 2.021 1.00 0.00 WT1 H ATOM 25102 OH2 TIP3 8633 59.022 6.140 48.335 1.00 0.00 WT1 O ATOM 25103 H1 TIP3 8633 58.826 6.450 47.451 1.00 0.00 WT1 H ATOM 25104 H2 TIP3 8633 59.663 5.440 48.207 1.00 0.00 WT1 H ATOM 25105 OH2 TIP3 8634 70.075 13.780 8.551 1.00 0.00 WT1 O ATOM 25106 H1 TIP3 8634 70.736 14.082 7.929 1.00 0.00 WT1 H ATOM 25107 H2 TIP3 8634 70.550 13.676 9.375 1.00 0.00 WT1 H ATOM 25108 OH2 TIP3 8635 27.286 6.272 33.088 1.00 0.00 WT1 O ATOM 25109 H1 TIP3 8635 27.150 5.971 32.190 1.00 0.00 WT1 H ATOM 25110 H2 TIP3 8635 26.687 7.012 33.187 1.00 0.00 WT1 H ATOM 25111 OH2 TIP3 8636 29.740 62.004 36.207 1.00 0.00 WT1 O ATOM 25112 H1 TIP3 8636 30.047 61.277 35.665 1.00 0.00 WT1 H ATOM 25113 H2 TIP3 8636 29.655 62.738 35.599 1.00 0.00 WT1 H ATOM 25114 OH2 TIP3 8637 89.147 5.078 60.544 1.00 0.00 WT1 O ATOM 25115 H1 TIP3 8637 89.658 5.716 60.046 1.00 0.00 WT1 H ATOM 25116 H2 TIP3 8637 88.718 5.594 61.226 1.00 0.00 WT1 H ATOM 25117 OH2 TIP3 8638 43.221 45.055 7.176 1.00 0.00 WT1 O ATOM 25118 H1 TIP3 8638 43.634 45.903 7.012 1.00 0.00 WT1 H ATOM 25119 H2 TIP3 8638 42.282 45.230 7.116 1.00 0.00 WT1 H ATOM 25120 OH2 TIP3 8639 61.645 19.009 -19.944 1.00 0.00 WT1 O ATOM 25121 H1 TIP3 8639 61.997 19.077 -19.057 1.00 0.00 WT1 H ATOM 25122 H2 TIP3 8639 60.884 18.434 -19.856 1.00 0.00 WT1 H ATOM 25123 OH2 TIP3 8640 62.069 22.367 29.527 1.00 0.00 WT1 O ATOM 25124 H1 TIP3 8640 61.409 23.057 29.588 1.00 0.00 WT1 H ATOM 25125 H2 TIP3 8640 62.844 22.806 29.178 1.00 0.00 WT1 H ATOM 25126 OH2 TIP3 8641 52.433 71.539 58.966 1.00 0.00 WT1 O ATOM 25127 H1 TIP3 8641 53.091 70.929 59.299 1.00 0.00 WT1 H ATOM 25128 H2 TIP3 8641 52.928 72.153 58.423 1.00 0.00 WT1 H ATOM 25129 OH2 TIP3 8642 90.260 20.616 50.521 1.00 0.00 WT1 O ATOM 25130 H1 TIP3 8642 90.923 21.206 50.880 1.00 0.00 WT1 H ATOM 25131 H2 TIP3 8642 89.649 20.473 51.245 1.00 0.00 WT1 H ATOM 25132 OH2 TIP3 8643 40.959 5.118 56.530 1.00 0.00 WT1 O ATOM 25133 H1 TIP3 8643 40.174 4.587 56.391 1.00 0.00 WT1 H ATOM 25134 H2 TIP3 8643 41.067 5.605 55.714 1.00 0.00 WT1 H ATOM 25135 OH2 TIP3 8644 35.590 17.432 -17.447 1.00 0.00 WT1 O ATOM 25136 H1 TIP3 8644 35.459 18.312 -17.800 1.00 0.00 WT1 H ATOM 25137 H2 TIP3 8644 36.476 17.449 -17.084 1.00 0.00 WT1 H ATOM 25138 OH2 TIP3 8645 31.490 32.411 48.534 1.00 0.00 WT1 O ATOM 25139 H1 TIP3 8645 31.568 31.649 49.108 1.00 0.00 WT1 H ATOM 25140 H2 TIP3 8645 30.670 32.828 48.797 1.00 0.00 WT1 H ATOM 25141 OH2 TIP3 8646 38.373 71.511 13.180 1.00 0.00 WT1 O ATOM 25142 H1 TIP3 8646 38.404 72.149 13.893 1.00 0.00 WT1 H ATOM 25143 H2 TIP3 8646 38.610 72.011 12.399 1.00 0.00 WT1 H ATOM 25144 OH2 TIP3 8647 74.236 38.614 13.303 1.00 0.00 WT1 O ATOM 25145 H1 TIP3 8647 74.076 37.907 13.928 1.00 0.00 WT1 H ATOM 25146 H2 TIP3 8647 73.415 39.105 13.281 1.00 0.00 WT1 H ATOM 25147 OH2 TIP3 8648 83.016 27.461 35.317 1.00 0.00 WT1 O ATOM 25148 H1 TIP3 8648 82.445 26.696 35.389 1.00 0.00 WT1 H ATOM 25149 H2 TIP3 8648 82.442 28.161 35.005 1.00 0.00 WT1 H ATOM 25150 OH2 TIP3 8649 84.305 94.861 66.222 1.00 0.00 WT1 O ATOM 25151 H1 TIP3 8649 83.898 94.126 66.682 1.00 0.00 WT1 H ATOM 25152 H2 TIP3 8649 84.474 94.528 65.341 1.00 0.00 WT1 H ATOM 25153 OH2 TIP3 8650 81.390 33.900 37.438 1.00 0.00 WT1 O ATOM 25154 H1 TIP3 8650 82.092 33.269 37.279 1.00 0.00 WT1 H ATOM 25155 H2 TIP3 8650 80.954 33.580 38.227 1.00 0.00 WT1 H ATOM 25156 OH2 TIP3 8652 40.786 21.042 44.951 1.00 0.00 WT1 O ATOM 25157 H1 TIP3 8652 41.027 21.002 44.025 1.00 0.00 WT1 H ATOM 25158 H2 TIP3 8652 40.797 21.976 45.162 1.00 0.00 WT1 H ATOM 25159 OH2 TIP3 8653 68.565 42.975 59.839 1.00 0.00 WT1 O ATOM 25160 H1 TIP3 8653 68.524 43.897 60.096 1.00 0.00 WT1 H ATOM 25161 H2 TIP3 8653 69.498 42.763 59.854 1.00 0.00 WT1 H ATOM 25162 OH2 TIP3 8654 82.448 33.687 20.244 1.00 0.00 WT1 O ATOM 25163 H1 TIP3 8654 83.331 33.446 20.525 1.00 0.00 WT1 H ATOM 25164 H2 TIP3 8654 82.571 34.087 19.383 1.00 0.00 WT1 H ATOM 25165 OH2 TIP3 8655 45.278 90.341 2.775 1.00 0.00 WT1 O ATOM 25166 H1 TIP3 8655 45.758 89.563 2.490 1.00 0.00 WT1 H ATOM 25167 H2 TIP3 8655 45.899 90.820 3.323 1.00 0.00 WT1 H ATOM 25168 OH2 TIP3 8656 26.338 52.522 59.886 1.00 0.00 WT1 O ATOM 25169 H1 TIP3 8656 26.633 52.381 60.786 1.00 0.00 WT1 H ATOM 25170 H2 TIP3 8656 27.122 52.387 59.353 1.00 0.00 WT1 H ATOM 25171 OH2 TIP3 8657 82.561 39.583 -12.138 1.00 0.00 WT1 O ATOM 25172 H1 TIP3 8657 81.787 40.068 -12.426 1.00 0.00 WT1 H ATOM 25173 H2 TIP3 8657 82.266 39.094 -11.370 1.00 0.00 WT1 H ATOM 25174 OH2 TIP3 8658 86.383 10.205 37.003 1.00 0.00 WT1 O ATOM 25175 H1 TIP3 8658 86.410 10.280 36.049 1.00 0.00 WT1 H ATOM 25176 H2 TIP3 8658 85.616 9.660 37.180 1.00 0.00 WT1 H ATOM 25177 OH2 TIP3 8659 87.445 65.794 34.198 1.00 0.00 WT1 O ATOM 25178 H1 TIP3 8659 87.634 64.885 34.429 1.00 0.00 WT1 H ATOM 25179 H2 TIP3 8659 87.391 65.793 33.243 1.00 0.00 WT1 H ATOM 25180 OH2 TIP3 8660 58.294 51.683 31.286 1.00 0.00 WT1 O ATOM 25181 H1 TIP3 8660 58.324 52.640 31.317 1.00 0.00 WT1 H ATOM 25182 H2 TIP3 8660 58.997 51.441 30.683 1.00 0.00 WT1 H ATOM 25183 OH2 TIP3 8662 81.482 72.580 39.867 1.00 0.00 WT1 O ATOM 25184 H1 TIP3 8662 81.126 72.269 39.035 1.00 0.00 WT1 H ATOM 25185 H2 TIP3 8662 81.515 71.799 40.420 1.00 0.00 WT1 H ATOM 25186 OH2 TIP3 8663 67.850 86.796 43.256 1.00 0.00 WT1 O ATOM 25187 H1 TIP3 8663 68.147 85.902 43.425 1.00 0.00 WT1 H ATOM 25188 H2 TIP3 8663 68.631 87.336 43.377 1.00 0.00 WT1 H ATOM 25189 OH2 TIP3 8665 81.593 34.164 56.975 1.00 0.00 WT1 O ATOM 25190 H1 TIP3 8665 82.010 34.620 56.243 1.00 0.00 WT1 H ATOM 25191 H2 TIP3 8665 82.311 33.972 57.578 1.00 0.00 WT1 H ATOM 25192 OH2 TIP3 8666 86.618 39.394 -3.277 1.00 0.00 WT1 O ATOM 25193 H1 TIP3 8666 86.710 40.222 -3.747 1.00 0.00 WT1 H ATOM 25194 H2 TIP3 8666 87.511 39.165 -3.017 1.00 0.00 WT1 H ATOM 25195 OH2 TIP3 8667 36.391 55.363 -5.215 1.00 0.00 WT1 O ATOM 25196 H1 TIP3 8667 35.635 54.848 -5.496 1.00 0.00 WT1 H ATOM 25197 H2 TIP3 8667 37.090 54.720 -5.100 1.00 0.00 WT1 H ATOM 25198 OH2 TIP3 8668 87.923 46.191 28.797 1.00 0.00 WT1 O ATOM 25199 H1 TIP3 8668 87.423 45.386 28.664 1.00 0.00 WT1 H ATOM 25200 H2 TIP3 8668 87.358 46.883 28.454 1.00 0.00 WT1 H ATOM 25201 OH2 TIP3 8669 26.931 16.859 33.725 1.00 0.00 WT1 O ATOM 25202 H1 TIP3 8669 26.492 16.720 32.886 1.00 0.00 WT1 H ATOM 25203 H2 TIP3 8669 26.275 17.294 34.270 1.00 0.00 WT1 H ATOM 25204 OH2 TIP3 8670 39.144 2.396 45.716 1.00 0.00 WT1 O ATOM 25205 H1 TIP3 8670 39.872 2.839 45.280 1.00 0.00 WT1 H ATOM 25206 H2 TIP3 8670 38.512 2.227 45.017 1.00 0.00 WT1 H ATOM 25207 OH2 TIP3 8671 65.413 85.452 -9.262 1.00 0.00 WT1 O ATOM 25208 H1 TIP3 8671 66.125 85.053 -8.762 1.00 0.00 WT1 H ATOM 25209 H2 TIP3 8671 65.717 86.342 -9.443 1.00 0.00 WT1 H ATOM 25210 OH2 TIP3 8672 49.897 12.853 45.031 1.00 0.00 WT1 O ATOM 25211 H1 TIP3 8672 49.629 12.315 44.286 1.00 0.00 WT1 H ATOM 25212 H2 TIP3 8672 50.841 12.962 44.921 1.00 0.00 WT1 H ATOM 25213 OH2 TIP3 8673 53.820 1.598 -6.205 1.00 0.00 WT1 O ATOM 25214 H1 TIP3 8673 54.237 2.446 -6.357 1.00 0.00 WT1 H ATOM 25215 H2 TIP3 8673 52.902 1.809 -6.032 1.00 0.00 WT1 H ATOM 25216 OH2 TIP3 8674 64.142 28.094 40.009 1.00 0.00 WT1 O ATOM 25217 H1 TIP3 8674 64.743 28.577 40.577 1.00 0.00 WT1 H ATOM 25218 H2 TIP3 8674 63.456 28.726 39.794 1.00 0.00 WT1 H ATOM 25219 OH2 TIP3 8675 32.326 74.119 39.879 1.00 0.00 WT1 O ATOM 25220 H1 TIP3 8675 32.965 73.407 39.849 1.00 0.00 WT1 H ATOM 25221 H2 TIP3 8675 31.733 73.941 39.149 1.00 0.00 WT1 H ATOM 25222 OH2 TIP3 8676 89.075 36.173 -6.724 1.00 0.00 WT1 O ATOM 25223 H1 TIP3 8676 88.492 35.866 -6.029 1.00 0.00 WT1 H ATOM 25224 H2 TIP3 8676 89.375 37.031 -6.423 1.00 0.00 WT1 H ATOM 25225 OH2 TIP3 8677 22.648 90.199 62.391 1.00 0.00 WT1 O ATOM 25226 H1 TIP3 8677 23.132 90.835 61.864 1.00 0.00 WT1 H ATOM 25227 H2 TIP3 8677 22.077 89.754 61.765 1.00 0.00 WT1 H ATOM 25228 OH2 TIP3 8678 89.291 44.185 -11.591 1.00 0.00 WT1 O ATOM 25229 H1 TIP3 8678 88.347 44.317 -11.508 1.00 0.00 WT1 H ATOM 25230 H2 TIP3 8678 89.378 43.433 -12.177 1.00 0.00 WT1 H ATOM 25231 OH2 TIP3 8679 45.732 11.191 -7.699 1.00 0.00 WT1 O ATOM 25232 H1 TIP3 8679 45.167 11.911 -7.416 1.00 0.00 WT1 H ATOM 25233 H2 TIP3 8679 46.614 11.564 -7.700 1.00 0.00 WT1 H ATOM 25234 OH2 TIP3 8680 65.210 46.261 -13.124 1.00 0.00 WT1 O ATOM 25235 H1 TIP3 8680 65.700 46.829 -12.530 1.00 0.00 WT1 H ATOM 25236 H2 TIP3 8680 64.296 46.516 -13.000 1.00 0.00 WT1 H ATOM 25237 OH2 TIP3 8681 84.216 13.225 -10.174 1.00 0.00 WT1 O ATOM 25238 H1 TIP3 8681 83.317 13.390 -10.457 1.00 0.00 WT1 H ATOM 25239 H2 TIP3 8681 84.227 12.298 -9.938 1.00 0.00 WT1 H ATOM 25240 OH2 TIP3 8682 81.055 48.686 -17.055 1.00 0.00 WT1 O ATOM 25241 H1 TIP3 8682 80.158 48.736 -17.385 1.00 0.00 WT1 H ATOM 25242 H2 TIP3 8682 81.080 47.873 -16.550 1.00 0.00 WT1 H ATOM 25243 OH2 TIP3 8683 32.693 43.578 -18.577 1.00 0.00 WT1 O ATOM 25244 H1 TIP3 8683 32.525 42.817 -18.022 1.00 0.00 WT1 H ATOM 25245 H2 TIP3 8683 33.185 44.179 -18.017 1.00 0.00 WT1 H ATOM 25246 OH2 TIP3 8684 24.852 38.830 48.790 1.00 0.00 WT1 O ATOM 25247 H1 TIP3 8684 24.183 39.264 48.261 1.00 0.00 WT1 H ATOM 25248 H2 TIP3 8684 25.509 38.541 48.157 1.00 0.00 WT1 H ATOM 25249 OH2 TIP3 8685 34.492 85.232 -3.825 1.00 0.00 WT1 O ATOM 25250 H1 TIP3 8685 35.333 85.469 -3.434 1.00 0.00 WT1 H ATOM 25251 H2 TIP3 8685 34.146 86.056 -4.169 1.00 0.00 WT1 H ATOM 25252 OH2 TIP3 8686 75.026 5.805 -5.704 1.00 0.00 WT1 O ATOM 25253 H1 TIP3 8686 74.762 5.504 -6.573 1.00 0.00 WT1 H ATOM 25254 H2 TIP3 8686 75.300 6.713 -5.837 1.00 0.00 WT1 H ATOM 25255 OH2 TIP3 8687 43.625 59.277 -1.928 1.00 0.00 WT1 O ATOM 25256 H1 TIP3 8687 44.389 58.726 -1.755 1.00 0.00 WT1 H ATOM 25257 H2 TIP3 8687 43.185 59.352 -1.082 1.00 0.00 WT1 H ATOM 25258 OH2 TIP3 8688 86.612 54.920 27.307 1.00 0.00 WT1 O ATOM 25259 H1 TIP3 8688 87.202 55.212 28.002 1.00 0.00 WT1 H ATOM 25260 H2 TIP3 8688 86.777 55.524 26.583 1.00 0.00 WT1 H ATOM 25261 OH2 TIP3 8690 77.763 58.958 41.163 1.00 0.00 WT1 O ATOM 25262 H1 TIP3 8690 78.046 59.459 40.398 1.00 0.00 WT1 H ATOM 25263 H2 TIP3 8690 77.011 59.443 41.502 1.00 0.00 WT1 H ATOM 25264 OH2 TIP3 8691 68.663 83.415 64.152 1.00 0.00 WT1 O ATOM 25265 H1 TIP3 8691 69.439 83.973 64.201 1.00 0.00 WT1 H ATOM 25266 H2 TIP3 8691 68.993 82.530 64.307 1.00 0.00 WT1 H ATOM 25267 OH2 TIP3 8692 78.694 86.007 2.609 1.00 0.00 WT1 O ATOM 25268 H1 TIP3 8692 77.888 85.895 2.105 1.00 0.00 WT1 H ATOM 25269 H2 TIP3 8692 79.249 86.556 2.056 1.00 0.00 WT1 H ATOM 25270 OH2 TIP3 8693 62.997 30.601 -6.175 1.00 0.00 WT1 O ATOM 25271 H1 TIP3 8693 62.752 29.904 -5.566 1.00 0.00 WT1 H ATOM 25272 H2 TIP3 8693 62.384 31.311 -5.987 1.00 0.00 WT1 H ATOM 25273 OH2 TIP3 8694 89.723 34.654 64.064 1.00 0.00 WT1 O ATOM 25274 H1 TIP3 8694 90.328 34.956 64.741 1.00 0.00 WT1 H ATOM 25275 H2 TIP3 8694 89.657 35.390 63.455 1.00 0.00 WT1 H ATOM 25276 OH2 TIP3 8695 66.328 90.557 20.521 1.00 0.00 WT1 O ATOM 25277 H1 TIP3 8695 66.170 89.614 20.581 1.00 0.00 WT1 H ATOM 25278 H2 TIP3 8695 65.507 90.956 20.808 1.00 0.00 WT1 H ATOM 25279 OH2 TIP3 8696 72.495 71.685 -11.996 1.00 0.00 WT1 O ATOM 25280 H1 TIP3 8696 73.429 71.789 -12.181 1.00 0.00 WT1 H ATOM 25281 H2 TIP3 8696 72.466 71.147 -11.204 1.00 0.00 WT1 H ATOM 25282 OH2 TIP3 8697 38.446 50.814 27.411 1.00 0.00 WT1 O ATOM 25283 H1 TIP3 8697 39.002 51.564 27.624 1.00 0.00 WT1 H ATOM 25284 H2 TIP3 8697 38.521 50.237 28.171 1.00 0.00 WT1 H ATOM 25285 OH2 TIP3 8698 80.058 4.698 44.814 1.00 0.00 WT1 O ATOM 25286 H1 TIP3 8698 80.038 4.697 43.857 1.00 0.00 WT1 H ATOM 25287 H2 TIP3 8698 79.324 5.256 45.069 1.00 0.00 WT1 H ATOM 25288 OH2 TIP3 8699 43.424 46.840 64.994 1.00 0.00 WT1 O ATOM 25289 H1 TIP3 8699 43.682 47.076 64.103 1.00 0.00 WT1 H ATOM 25290 H2 TIP3 8699 42.594 47.295 65.132 1.00 0.00 WT1 H ATOM 25291 OH2 TIP3 8700 26.726 50.216 65.227 1.00 0.00 WT1 O ATOM 25292 H1 TIP3 8700 25.925 50.158 65.749 1.00 0.00 WT1 H ATOM 25293 H2 TIP3 8700 27.432 50.049 65.852 1.00 0.00 WT1 H ATOM 25294 OH2 TIP3 8702 80.747 95.896 -16.965 1.00 0.00 WT1 O ATOM 25295 H1 TIP3 8702 81.548 95.378 -16.887 1.00 0.00 WT1 H ATOM 25296 H2 TIP3 8702 81.043 96.805 -16.915 1.00 0.00 WT1 H ATOM 25297 OH2 TIP3 8703 28.237 57.043 60.850 1.00 0.00 WT1 O ATOM 25298 H1 TIP3 8703 27.555 56.372 60.855 1.00 0.00 WT1 H ATOM 25299 H2 TIP3 8703 27.800 57.827 60.517 1.00 0.00 WT1 H ATOM 25300 OH2 TIP3 8704 24.579 47.841 13.645 1.00 0.00 WT1 O ATOM 25301 H1 TIP3 8704 24.234 47.272 14.333 1.00 0.00 WT1 H ATOM 25302 H2 TIP3 8704 23.868 47.906 13.008 1.00 0.00 WT1 H ATOM 25303 OH2 TIP3 8706 80.889 76.660 41.374 1.00 0.00 WT1 O ATOM 25304 H1 TIP3 8706 81.107 76.337 40.500 1.00 0.00 WT1 H ATOM 25305 H2 TIP3 8706 81.247 76.001 41.969 1.00 0.00 WT1 H ATOM 25306 OH2 TIP3 8707 84.804 71.701 2.013 1.00 0.00 WT1 O ATOM 25307 H1 TIP3 8707 84.991 71.649 2.950 1.00 0.00 WT1 H ATOM 25308 H2 TIP3 8707 85.629 71.982 1.618 1.00 0.00 WT1 H ATOM 25309 OH2 TIP3 8708 61.970 47.506 63.832 1.00 0.00 WT1 O ATOM 25310 H1 TIP3 8708 62.922 47.581 63.888 1.00 0.00 WT1 H ATOM 25311 H2 TIP3 8708 61.799 47.301 62.913 1.00 0.00 WT1 H ATOM 25312 OH2 TIP3 8709 27.122 56.080 35.431 1.00 0.00 WT1 O ATOM 25313 H1 TIP3 8709 27.051 57.020 35.597 1.00 0.00 WT1 H ATOM 25314 H2 TIP3 8709 27.226 56.011 34.482 1.00 0.00 WT1 H ATOM 25315 OH2 TIP3 8710 69.780 49.325 63.251 1.00 0.00 WT1 O ATOM 25316 H1 TIP3 8710 69.268 50.074 62.946 1.00 0.00 WT1 H ATOM 25317 H2 TIP3 8710 70.574 49.712 63.619 1.00 0.00 WT1 H ATOM 25318 OH2 TIP3 8711 22.285 30.217 19.700 1.00 0.00 WT1 O ATOM 25319 H1 TIP3 8711 22.541 31.093 19.988 1.00 0.00 WT1 H ATOM 25320 H2 TIP3 8711 21.966 30.341 18.806 1.00 0.00 WT1 H ATOM 25321 OH2 TIP3 8712 47.722 55.943 22.826 1.00 0.00 WT1 O ATOM 25322 H1 TIP3 8712 48.544 56.308 22.498 1.00 0.00 WT1 H ATOM 25323 H2 TIP3 8712 47.470 56.525 23.543 1.00 0.00 WT1 H ATOM 25324 OH2 TIP3 8713 52.855 37.774 13.186 1.00 0.00 WT1 O ATOM 25325 H1 TIP3 8713 52.597 38.563 13.663 1.00 0.00 WT1 H ATOM 25326 H2 TIP3 8713 52.100 37.190 13.263 1.00 0.00 WT1 H ATOM 25327 OH2 TIP3 8714 56.218 33.633 42.453 1.00 0.00 WT1 O ATOM 25328 H1 TIP3 8714 56.563 34.062 41.670 1.00 0.00 WT1 H ATOM 25329 H2 TIP3 8714 55.267 33.686 42.358 1.00 0.00 WT1 H ATOM 25330 OH2 TIP3 8715 54.586 34.932 9.090 1.00 0.00 WT1 O ATOM 25331 H1 TIP3 8715 55.284 34.920 9.744 1.00 0.00 WT1 H ATOM 25332 H2 TIP3 8715 54.040 34.177 9.309 1.00 0.00 WT1 H ATOM 25333 OH2 TIP3 8716 29.402 27.643 18.557 1.00 0.00 WT1 O ATOM 25334 H1 TIP3 8716 29.239 26.702 18.497 1.00 0.00 WT1 H ATOM 25335 H2 TIP3 8716 29.998 27.830 17.831 1.00 0.00 WT1 H ATOM 25336 OH2 TIP3 8717 69.152 30.182 11.207 1.00 0.00 WT1 O ATOM 25337 H1 TIP3 8717 69.293 30.582 10.349 1.00 0.00 WT1 H ATOM 25338 H2 TIP3 8717 68.807 30.892 11.749 1.00 0.00 WT1 H ATOM 25339 OH2 TIP3 8718 48.272 43.234 60.713 1.00 0.00 WT1 O ATOM 25340 H1 TIP3 8718 48.480 43.575 59.843 1.00 0.00 WT1 H ATOM 25341 H2 TIP3 8718 47.316 43.242 60.751 1.00 0.00 WT1 H ATOM 25342 OH2 TIP3 8719 37.878 72.395 31.394 1.00 0.00 WT1 O ATOM 25343 H1 TIP3 8719 38.719 72.688 31.745 1.00 0.00 WT1 H ATOM 25344 H2 TIP3 8719 37.847 71.459 31.594 1.00 0.00 WT1 H ATOM 25345 OH2 TIP3 8720 84.547 54.254 -4.956 1.00 0.00 WT1 O ATOM 25346 H1 TIP3 8720 85.191 53.573 -4.762 1.00 0.00 WT1 H ATOM 25347 H2 TIP3 8720 84.919 55.050 -4.578 1.00 0.00 WT1 H ATOM 25348 OH2 TIP3 8721 21.553 90.607 39.010 1.00 0.00 WT1 O ATOM 25349 H1 TIP3 8721 22.380 91.022 39.251 1.00 0.00 WT1 H ATOM 25350 H2 TIP3 8721 21.787 89.987 38.319 1.00 0.00 WT1 H ATOM 25351 OH2 TIP3 8722 41.799 75.994 -7.321 1.00 0.00 WT1 O ATOM 25352 H1 TIP3 8722 41.015 75.459 -7.193 1.00 0.00 WT1 H ATOM 25353 H2 TIP3 8722 42.281 75.914 -6.498 1.00 0.00 WT1 H ATOM 25354 OH2 TIP3 8723 80.521 71.589 44.877 1.00 0.00 WT1 O ATOM 25355 H1 TIP3 8723 80.825 71.446 45.774 1.00 0.00 WT1 H ATOM 25356 H2 TIP3 8723 81.271 71.979 44.429 1.00 0.00 WT1 H ATOM 25357 OH2 TIP3 8724 49.608 62.673 9.866 1.00 0.00 WT1 O ATOM 25358 H1 TIP3 8724 50.329 62.787 10.484 1.00 0.00 WT1 H ATOM 25359 H2 TIP3 8724 48.856 62.446 10.414 1.00 0.00 WT1 H ATOM 25360 OH2 TIP3 8725 53.728 69.942 5.591 1.00 0.00 WT1 O ATOM 25361 H1 TIP3 8725 54.287 69.472 6.210 1.00 0.00 WT1 H ATOM 25362 H2 TIP3 8725 52.839 69.660 5.810 1.00 0.00 WT1 H ATOM 25363 OH2 TIP3 8726 84.881 62.259 24.393 1.00 0.00 WT1 O ATOM 25364 H1 TIP3 8726 84.989 61.636 23.675 1.00 0.00 WT1 H ATOM 25365 H2 TIP3 8726 85.716 62.725 24.435 1.00 0.00 WT1 H ATOM 25366 OH2 TIP3 8727 42.053 53.004 28.987 1.00 0.00 WT1 O ATOM 25367 H1 TIP3 8727 42.373 53.811 29.391 1.00 0.00 WT1 H ATOM 25368 H2 TIP3 8727 42.699 52.802 28.310 1.00 0.00 WT1 H ATOM 25369 OH2 TIP3 8728 76.562 7.903 58.456 1.00 0.00 WT1 O ATOM 25370 H1 TIP3 8728 75.745 7.620 58.868 1.00 0.00 WT1 H ATOM 25371 H2 TIP3 8728 76.303 8.183 57.578 1.00 0.00 WT1 H ATOM 25372 OH2 TIP3 8729 25.424 87.701 22.902 1.00 0.00 WT1 O ATOM 25373 H1 TIP3 8729 26.128 88.195 23.323 1.00 0.00 WT1 H ATOM 25374 H2 TIP3 8729 25.636 87.729 21.969 1.00 0.00 WT1 H ATOM 25375 OH2 TIP3 8730 34.342 28.723 57.966 1.00 0.00 WT1 O ATOM 25376 H1 TIP3 8730 35.249 28.493 58.171 1.00 0.00 WT1 H ATOM 25377 H2 TIP3 8730 34.408 29.325 57.225 1.00 0.00 WT1 H ATOM 25378 OH2 TIP3 8731 22.380 64.523 16.300 1.00 0.00 WT1 O ATOM 25379 H1 TIP3 8731 21.880 65.316 16.490 1.00 0.00 WT1 H ATOM 25380 H2 TIP3 8731 23.282 64.827 16.195 1.00 0.00 WT1 H ATOM 25381 OH2 TIP3 8732 28.554 50.537 10.025 1.00 0.00 WT1 O ATOM 25382 H1 TIP3 8732 29.479 50.483 10.265 1.00 0.00 WT1 H ATOM 25383 H2 TIP3 8732 28.279 51.404 10.323 1.00 0.00 WT1 H ATOM 25384 OH2 TIP3 8733 73.462 50.351 13.038 1.00 0.00 WT1 O ATOM 25385 H1 TIP3 8733 72.905 49.576 13.101 1.00 0.00 WT1 H ATOM 25386 H2 TIP3 8733 74.319 50.011 12.780 1.00 0.00 WT1 H ATOM 25387 OH2 TIP3 8734 63.624 70.853 51.362 1.00 0.00 WT1 O ATOM 25388 H1 TIP3 8734 62.867 70.273 51.438 1.00 0.00 WT1 H ATOM 25389 H2 TIP3 8734 63.287 71.718 51.596 1.00 0.00 WT1 H ATOM 25390 OH2 TIP3 8735 88.421 85.206 -13.662 1.00 0.00 WT1 O ATOM 25391 H1 TIP3 8735 88.194 84.277 -13.629 1.00 0.00 WT1 H ATOM 25392 H2 TIP3 8735 89.090 85.266 -14.343 1.00 0.00 WT1 H ATOM 25393 OH2 TIP3 8736 68.641 46.697 3.894 1.00 0.00 WT1 O ATOM 25394 H1 TIP3 8736 68.460 46.133 3.142 1.00 0.00 WT1 H ATOM 25395 H2 TIP3 8736 68.346 47.565 3.620 1.00 0.00 WT1 H ATOM 25396 OH2 TIP3 8737 26.194 41.550 10.290 1.00 0.00 WT1 O ATOM 25397 H1 TIP3 8737 25.517 41.117 10.811 1.00 0.00 WT1 H ATOM 25398 H2 TIP3 8737 26.749 41.989 10.935 1.00 0.00 WT1 H ATOM 25399 OH2 TIP3 8738 81.708 49.325 66.002 1.00 0.00 WT1 O ATOM 25400 H1 TIP3 8738 81.856 49.655 66.888 1.00 0.00 WT1 H ATOM 25401 H2 TIP3 8738 82.029 48.424 66.025 1.00 0.00 WT1 H ATOM 25402 OH2 TIP3 8739 59.986 52.553 0.495 1.00 0.00 WT1 O ATOM 25403 H1 TIP3 8739 59.274 52.632 1.131 1.00 0.00 WT1 H ATOM 25404 H2 TIP3 8739 59.779 53.201 -0.178 1.00 0.00 WT1 H ATOM 25405 OH2 TIP3 8740 43.059 22.846 -12.365 1.00 0.00 WT1 O ATOM 25406 H1 TIP3 8740 42.504 22.887 -13.144 1.00 0.00 WT1 H ATOM 25407 H2 TIP3 8740 43.768 23.464 -12.544 1.00 0.00 WT1 H ATOM 25408 OH2 TIP3 8741 21.722 45.140 -3.876 1.00 0.00 WT1 O ATOM 25409 H1 TIP3 8741 22.364 44.715 -3.306 1.00 0.00 WT1 H ATOM 25410 H2 TIP3 8741 21.203 45.686 -3.286 1.00 0.00 WT1 H ATOM 25411 OH2 TIP3 8742 55.064 81.084 2.069 1.00 0.00 WT1 O ATOM 25412 H1 TIP3 8742 54.159 80.894 1.823 1.00 0.00 WT1 H ATOM 25413 H2 TIP3 8742 55.271 80.437 2.743 1.00 0.00 WT1 H ATOM 25414 OH2 TIP3 8743 23.470 33.538 42.046 1.00 0.00 WT1 O ATOM 25415 H1 TIP3 8743 23.658 33.722 41.126 1.00 0.00 WT1 H ATOM 25416 H2 TIP3 8743 24.331 33.481 42.460 1.00 0.00 WT1 H ATOM 25417 OH2 TIP3 8744 72.881 37.007 7.090 1.00 0.00 WT1 O ATOM 25418 H1 TIP3 8744 71.968 37.286 7.025 1.00 0.00 WT1 H ATOM 25419 H2 TIP3 8744 72.869 36.292 7.726 1.00 0.00 WT1 H ATOM 25420 OH2 TIP3 8745 82.205 82.676 37.401 1.00 0.00 WT1 O ATOM 25421 H1 TIP3 8745 82.210 82.879 36.466 1.00 0.00 WT1 H ATOM 25422 H2 TIP3 8745 81.453 82.095 37.517 1.00 0.00 WT1 H ATOM 25423 OH2 TIP3 8746 56.296 53.574 -12.964 1.00 0.00 WT1 O ATOM 25424 H1 TIP3 8746 55.389 53.742 -13.222 1.00 0.00 WT1 H ATOM 25425 H2 TIP3 8746 56.301 53.693 -12.014 1.00 0.00 WT1 H ATOM 25426 OH2 TIP3 8747 88.052 53.862 56.563 1.00 0.00 WT1 O ATOM 25427 H1 TIP3 8747 87.552 53.160 56.146 1.00 0.00 WT1 H ATOM 25428 H2 TIP3 8747 88.416 53.462 57.352 1.00 0.00 WT1 H ATOM 25429 OH2 TIP3 8748 35.019 7.933 27.719 1.00 0.00 WT1 O ATOM 25430 H1 TIP3 8748 34.873 8.731 28.226 1.00 0.00 WT1 H ATOM 25431 H2 TIP3 8748 35.775 7.519 28.135 1.00 0.00 WT1 H ATOM 25432 OH2 TIP3 8749 67.499 95.087 -19.380 1.00 0.00 WT1 O ATOM 25433 H1 TIP3 8749 67.340 95.816 -18.780 1.00 0.00 WT1 H ATOM 25434 H2 TIP3 8749 66.999 95.310 -20.165 1.00 0.00 WT1 H ATOM 25435 OH2 TIP3 8750 66.882 67.789 20.909 1.00 0.00 WT1 O ATOM 25436 H1 TIP3 8750 66.846 68.152 20.024 1.00 0.00 WT1 H ATOM 25437 H2 TIP3 8750 66.673 66.861 20.796 1.00 0.00 WT1 H ATOM 25438 OH2 TIP3 8751 34.357 71.342 53.661 1.00 0.00 WT1 O ATOM 25439 H1 TIP3 8751 34.060 72.225 53.439 1.00 0.00 WT1 H ATOM 25440 H2 TIP3 8751 34.798 71.032 52.870 1.00 0.00 WT1 H ATOM 25441 OH2 TIP3 8752 77.527 79.223 -7.501 1.00 0.00 WT1 O ATOM 25442 H1 TIP3 8752 76.725 78.875 -7.892 1.00 0.00 WT1 H ATOM 25443 H2 TIP3 8752 77.303 79.366 -6.582 1.00 0.00 WT1 H ATOM 25444 OH2 TIP3 8753 52.677 84.334 39.286 1.00 0.00 WT1 O ATOM 25445 H1 TIP3 8753 53.300 85.000 39.577 1.00 0.00 WT1 H ATOM 25446 H2 TIP3 8753 51.820 84.751 39.376 1.00 0.00 WT1 H ATOM 25447 OH2 TIP3 8754 23.882 19.551 -6.238 1.00 0.00 WT1 O ATOM 25448 H1 TIP3 8754 24.369 18.733 -6.336 1.00 0.00 WT1 H ATOM 25449 H2 TIP3 8754 24.332 20.015 -5.532 1.00 0.00 WT1 H ATOM 25450 OH2 TIP3 8755 84.610 41.004 7.929 1.00 0.00 WT1 O ATOM 25451 H1 TIP3 8755 85.520 41.131 7.661 1.00 0.00 WT1 H ATOM 25452 H2 TIP3 8755 84.656 40.365 8.640 1.00 0.00 WT1 H ATOM 25453 OH2 TIP3 8756 38.115 35.015 53.009 1.00 0.00 WT1 O ATOM 25454 H1 TIP3 8756 38.772 34.560 53.535 1.00 0.00 WT1 H ATOM 25455 H2 TIP3 8756 37.689 34.322 52.504 1.00 0.00 WT1 H ATOM 25456 OH2 TIP3 8757 51.747 31.685 32.003 1.00 0.00 WT1 O ATOM 25457 H1 TIP3 8757 51.468 30.890 31.549 1.00 0.00 WT1 H ATOM 25458 H2 TIP3 8757 51.040 32.311 31.849 1.00 0.00 WT1 H ATOM 25459 OH2 TIP3 8758 44.932 17.342 53.865 1.00 0.00 WT1 O ATOM 25460 H1 TIP3 8758 44.241 16.734 54.127 1.00 0.00 WT1 H ATOM 25461 H2 TIP3 8758 44.521 18.205 53.902 1.00 0.00 WT1 H ATOM 25462 OH2 TIP3 8759 26.097 73.494 33.031 1.00 0.00 WT1 O ATOM 25463 H1 TIP3 8759 26.101 73.996 32.216 1.00 0.00 WT1 H ATOM 25464 H2 TIP3 8759 25.931 74.145 33.713 1.00 0.00 WT1 H ATOM 25465 OH2 TIP3 8760 83.607 55.719 -2.453 1.00 0.00 WT1 O ATOM 25466 H1 TIP3 8760 82.786 56.199 -2.559 1.00 0.00 WT1 H ATOM 25467 H2 TIP3 8760 83.877 55.900 -1.552 1.00 0.00 WT1 H ATOM 25468 OH2 TIP3 8761 77.785 82.692 22.208 1.00 0.00 WT1 O ATOM 25469 H1 TIP3 8761 77.340 81.871 22.419 1.00 0.00 WT1 H ATOM 25470 H2 TIP3 8761 78.291 82.496 21.420 1.00 0.00 WT1 H ATOM 25471 OH2 TIP3 8762 32.801 85.229 15.380 1.00 0.00 WT1 O ATOM 25472 H1 TIP3 8762 33.116 84.437 14.944 1.00 0.00 WT1 H ATOM 25473 H2 TIP3 8762 32.838 85.019 16.314 1.00 0.00 WT1 H ATOM 25474 OH2 TIP3 8763 35.396 64.801 11.287 1.00 0.00 WT1 O ATOM 25475 H1 TIP3 8763 35.887 65.528 10.904 1.00 0.00 WT1 H ATOM 25476 H2 TIP3 8763 35.734 64.727 12.179 1.00 0.00 WT1 H ATOM 25477 OH2 TIP3 8764 73.705 44.422 43.852 1.00 0.00 WT1 O ATOM 25478 H1 TIP3 8764 72.969 43.903 43.527 1.00 0.00 WT1 H ATOM 25479 H2 TIP3 8764 74.450 44.138 43.323 1.00 0.00 WT1 H ATOM 25480 OH2 TIP3 8765 42.398 79.611 -18.979 1.00 0.00 WT1 O ATOM 25481 H1 TIP3 8765 42.146 80.534 -18.954 1.00 0.00 WT1 H ATOM 25482 H2 TIP3 8765 43.162 79.555 -18.404 1.00 0.00 WT1 H ATOM 25483 OH2 TIP3 8766 59.736 22.500 46.459 1.00 0.00 WT1 O ATOM 25484 H1 TIP3 8766 59.110 23.141 46.121 1.00 0.00 WT1 H ATOM 25485 H2 TIP3 8766 59.351 22.199 47.282 1.00 0.00 WT1 H ATOM 25486 OH2 TIP3 8767 81.766 14.568 -11.085 1.00 0.00 WT1 O ATOM 25487 H1 TIP3 8767 81.108 14.001 -11.488 1.00 0.00 WT1 H ATOM 25488 H2 TIP3 8767 81.617 15.427 -11.479 1.00 0.00 WT1 H ATOM 25489 OH2 TIP3 8768 60.192 72.102 55.031 1.00 0.00 WT1 O ATOM 25490 H1 TIP3 8768 60.235 71.582 55.833 1.00 0.00 WT1 H ATOM 25491 H2 TIP3 8768 60.887 71.747 54.477 1.00 0.00 WT1 H ATOM 25492 OH2 TIP3 8769 73.275 66.854 -5.959 1.00 0.00 WT1 O ATOM 25493 H1 TIP3 8769 73.178 66.213 -5.254 1.00 0.00 WT1 H ATOM 25494 H2 TIP3 8769 72.462 66.784 -6.460 1.00 0.00 WT1 H ATOM 25495 OH2 TIP3 8770 34.140 48.877 37.911 1.00 0.00 WT1 O ATOM 25496 H1 TIP3 8770 34.531 49.110 37.068 1.00 0.00 WT1 H ATOM 25497 H2 TIP3 8770 33.405 48.307 37.686 1.00 0.00 WT1 H ATOM 25498 OH2 TIP3 8771 48.230 46.553 6.068 1.00 0.00 WT1 O ATOM 25499 H1 TIP3 8771 49.062 46.620 6.539 1.00 0.00 WT1 H ATOM 25500 H2 TIP3 8771 47.830 45.750 6.403 1.00 0.00 WT1 H ATOM 25501 OH2 TIP3 8772 43.671 85.634 48.312 1.00 0.00 WT1 O ATOM 25502 H1 TIP3 8772 44.356 85.049 47.986 1.00 0.00 WT1 H ATOM 25503 H2 TIP3 8772 43.108 85.072 48.844 1.00 0.00 WT1 H ATOM 25504 OH2 TIP3 8773 62.914 85.336 48.635 1.00 0.00 WT1 O ATOM 25505 H1 TIP3 8773 62.289 85.603 47.962 1.00 0.00 WT1 H ATOM 25506 H2 TIP3 8773 62.370 85.108 49.390 1.00 0.00 WT1 H ATOM 25507 OH2 TIP3 8774 23.552 69.540 1.598 1.00 0.00 WT1 O ATOM 25508 H1 TIP3 8774 23.603 68.653 1.953 1.00 0.00 WT1 H ATOM 25509 H2 TIP3 8774 23.051 70.031 2.249 1.00 0.00 WT1 H ATOM 25510 OH2 TIP3 8775 35.771 56.176 52.447 1.00 0.00 WT1 O ATOM 25511 H1 TIP3 8775 36.192 56.878 52.944 1.00 0.00 WT1 H ATOM 25512 H2 TIP3 8775 35.743 56.501 51.548 1.00 0.00 WT1 H ATOM 25513 OH2 TIP3 8776 53.231 41.434 30.520 1.00 0.00 WT1 O ATOM 25514 H1 TIP3 8776 54.001 40.982 30.175 1.00 0.00 WT1 H ATOM 25515 H2 TIP3 8776 52.594 40.736 30.676 1.00 0.00 WT1 H ATOM 25516 OH2 TIP3 8777 21.674 45.350 39.049 1.00 0.00 WT1 O ATOM 25517 H1 TIP3 8777 21.360 45.940 38.363 1.00 0.00 WT1 H ATOM 25518 H2 TIP3 8777 22.245 45.895 39.591 1.00 0.00 WT1 H ATOM 25519 OH2 TIP3 8778 32.723 90.654 16.670 1.00 0.00 WT1 O ATOM 25520 H1 TIP3 8778 32.831 89.815 17.117 1.00 0.00 WT1 H ATOM 25521 H2 TIP3 8778 33.611 91.003 16.594 1.00 0.00 WT1 H ATOM 25522 OH2 TIP3 8779 40.967 15.923 -11.113 1.00 0.00 WT1 O ATOM 25523 H1 TIP3 8779 40.242 16.544 -11.191 1.00 0.00 WT1 H ATOM 25524 H2 TIP3 8779 41.049 15.768 -10.172 1.00 0.00 WT1 H ATOM 25525 OH2 TIP3 8780 84.055 72.636 56.376 1.00 0.00 WT1 O ATOM 25526 H1 TIP3 8780 84.318 72.622 57.296 1.00 0.00 WT1 H ATOM 25527 H2 TIP3 8780 84.879 72.657 55.890 1.00 0.00 WT1 H ATOM 25528 OH2 TIP3 8781 81.592 43.510 19.930 1.00 0.00 WT1 O ATOM 25529 H1 TIP3 8781 81.406 43.801 20.822 1.00 0.00 WT1 H ATOM 25530 H2 TIP3 8781 80.737 43.270 19.572 1.00 0.00 WT1 H ATOM 25531 OH2 TIP3 8782 57.442 4.745 25.670 1.00 0.00 WT1 O ATOM 25532 H1 TIP3 8782 57.541 4.507 26.592 1.00 0.00 WT1 H ATOM 25533 H2 TIP3 8782 57.777 5.640 25.615 1.00 0.00 WT1 H ATOM 25534 OH2 TIP3 8783 76.682 49.942 27.488 1.00 0.00 WT1 O ATOM 25535 H1 TIP3 8783 76.441 50.102 28.400 1.00 0.00 WT1 H ATOM 25536 H2 TIP3 8783 76.269 50.655 27.001 1.00 0.00 WT1 H ATOM 25537 OH2 TIP3 8784 35.923 21.328 5.374 1.00 0.00 WT1 O ATOM 25538 H1 TIP3 8784 35.563 22.213 5.437 1.00 0.00 WT1 H ATOM 25539 H2 TIP3 8784 36.787 21.391 5.780 1.00 0.00 WT1 H ATOM 25540 OH2 TIP3 8785 72.357 18.722 -13.933 1.00 0.00 WT1 O ATOM 25541 H1 TIP3 8785 72.941 19.404 -13.600 1.00 0.00 WT1 H ATOM 25542 H2 TIP3 8785 72.930 18.138 -14.430 1.00 0.00 WT1 H ATOM 25543 OH2 TIP3 8786 55.224 66.640 64.231 1.00 0.00 WT1 O ATOM 25544 H1 TIP3 8786 55.557 65.753 64.372 1.00 0.00 WT1 H ATOM 25545 H2 TIP3 8786 54.294 66.519 64.040 1.00 0.00 WT1 H ATOM 25546 OH2 TIP3 8787 74.411 24.891 29.950 1.00 0.00 WT1 O ATOM 25547 H1 TIP3 8787 74.183 24.019 30.270 1.00 0.00 WT1 H ATOM 25548 H2 TIP3 8787 75.316 25.022 30.234 1.00 0.00 WT1 H ATOM 25549 OH2 TIP3 8788 71.114 14.017 38.998 1.00 0.00 WT1 O ATOM 25550 H1 TIP3 8788 70.831 13.690 38.145 1.00 0.00 WT1 H ATOM 25551 H2 TIP3 8788 72.059 13.863 39.014 1.00 0.00 WT1 H ATOM 25552 OH2 TIP3 8789 86.340 56.715 -11.732 1.00 0.00 WT1 O ATOM 25553 H1 TIP3 8789 87.159 56.631 -12.221 1.00 0.00 WT1 H ATOM 25554 H2 TIP3 8789 86.542 56.365 -10.864 1.00 0.00 WT1 H ATOM 25555 OH2 TIP3 8790 69.085 30.293 32.590 1.00 0.00 WT1 O ATOM 25556 H1 TIP3 8790 68.548 29.896 33.276 1.00 0.00 WT1 H ATOM 25557 H2 TIP3 8790 69.159 31.212 32.845 1.00 0.00 WT1 H ATOM 25558 OH2 TIP3 8791 53.069 59.925 17.588 1.00 0.00 WT1 O ATOM 25559 H1 TIP3 8791 53.200 58.990 17.744 1.00 0.00 WT1 H ATOM 25560 H2 TIP3 8791 52.215 59.979 17.159 1.00 0.00 WT1 H ATOM 25561 OH2 TIP3 8793 25.708 78.698 29.354 1.00 0.00 WT1 O ATOM 25562 H1 TIP3 8793 26.170 78.060 28.809 1.00 0.00 WT1 H ATOM 25563 H2 TIP3 8793 25.160 79.186 28.739 1.00 0.00 WT1 H ATOM 25564 OH2 TIP3 8794 66.781 53.983 64.705 1.00 0.00 WT1 O ATOM 25565 H1 TIP3 8794 65.904 53.683 64.945 1.00 0.00 WT1 H ATOM 25566 H2 TIP3 8794 66.643 54.854 64.332 1.00 0.00 WT1 H ATOM 25567 OH2 TIP3 8795 80.090 79.861 2.995 1.00 0.00 WT1 O ATOM 25568 H1 TIP3 8795 80.502 79.032 3.235 1.00 0.00 WT1 H ATOM 25569 H2 TIP3 8795 79.451 80.021 3.690 1.00 0.00 WT1 H ATOM 25570 OH2 TIP3 8797 66.075 45.689 11.232 1.00 0.00 WT1 O ATOM 25571 H1 TIP3 8797 65.246 46.077 11.511 1.00 0.00 WT1 H ATOM 25572 H2 TIP3 8797 66.293 45.065 11.925 1.00 0.00 WT1 H ATOM 25573 OH2 TIP3 8798 34.159 94.456 -8.235 1.00 0.00 WT1 O ATOM 25574 H1 TIP3 8798 34.964 94.940 -8.054 1.00 0.00 WT1 H ATOM 25575 H2 TIP3 8798 33.476 95.126 -8.260 1.00 0.00 WT1 H ATOM 25576 OH2 TIP3 8799 45.668 41.340 51.614 1.00 0.00 WT1 O ATOM 25577 H1 TIP3 8799 45.856 41.803 50.797 1.00 0.00 WT1 H ATOM 25578 H2 TIP3 8799 45.944 41.946 52.302 1.00 0.00 WT1 H ATOM 25579 OH2 TIP3 8800 87.111 18.747 49.347 1.00 0.00 WT1 O ATOM 25580 H1 TIP3 8800 87.079 19.004 48.426 1.00 0.00 WT1 H ATOM 25581 H2 TIP3 8800 88.041 18.605 49.524 1.00 0.00 WT1 H ATOM 25582 OH2 TIP3 8801 41.560 13.025 -12.121 1.00 0.00 WT1 O ATOM 25583 H1 TIP3 8801 41.025 13.734 -11.765 1.00 0.00 WT1 H ATOM 25584 H2 TIP3 8801 41.685 13.257 -13.041 1.00 0.00 WT1 H ATOM 25585 OH2 TIP3 8802 47.002 30.991 -19.388 1.00 0.00 WT1 O ATOM 25586 H1 TIP3 8802 46.495 30.978 -18.576 1.00 0.00 WT1 H ATOM 25587 H2 TIP3 8802 46.353 31.143 -20.074 1.00 0.00 WT1 H ATOM 25588 OH2 TIP3 8803 57.879 7.615 25.988 1.00 0.00 WT1 O ATOM 25589 H1 TIP3 8803 56.969 7.786 26.229 1.00 0.00 WT1 H ATOM 25590 H2 TIP3 8803 58.119 8.347 25.420 1.00 0.00 WT1 H ATOM 25591 OH2 TIP3 8804 69.887 69.559 -2.830 1.00 0.00 WT1 O ATOM 25592 H1 TIP3 8804 70.184 69.101 -2.044 1.00 0.00 WT1 H ATOM 25593 H2 TIP3 8804 68.945 69.392 -2.863 1.00 0.00 WT1 H ATOM 25594 OH2 TIP3 8805 79.371 16.230 47.017 1.00 0.00 WT1 O ATOM 25595 H1 TIP3 8805 78.927 16.011 46.198 1.00 0.00 WT1 H ATOM 25596 H2 TIP3 8805 80.231 16.551 46.745 1.00 0.00 WT1 H ATOM 25597 OH2 TIP3 8806 20.883 57.188 9.384 1.00 0.00 WT1 O ATOM 25598 H1 TIP3 8806 20.726 57.199 10.328 1.00 0.00 WT1 H ATOM 25599 H2 TIP3 8806 21.739 57.604 9.279 1.00 0.00 WT1 H ATOM 25600 OH2 TIP3 8808 49.198 69.523 -18.337 1.00 0.00 WT1 O ATOM 25601 H1 TIP3 8808 50.064 69.246 -18.037 1.00 0.00 WT1 H ATOM 25602 H2 TIP3 8808 48.587 69.068 -17.758 1.00 0.00 WT1 H ATOM 25603 OH2 TIP3 8809 74.177 55.848 -7.456 1.00 0.00 WT1 O ATOM 25604 H1 TIP3 8809 74.754 56.085 -8.183 1.00 0.00 WT1 H ATOM 25605 H2 TIP3 8809 74.771 55.666 -6.728 1.00 0.00 WT1 H ATOM 25606 OH2 TIP3 8810 78.881 64.609 6.312 1.00 0.00 WT1 O ATOM 25607 H1 TIP3 8810 78.750 64.286 5.421 1.00 0.00 WT1 H ATOM 25608 H2 TIP3 8810 78.926 65.560 6.218 1.00 0.00 WT1 H ATOM 25609 OH2 TIP3 8811 35.808 81.332 19.700 1.00 0.00 WT1 O ATOM 25610 H1 TIP3 8811 35.059 80.812 19.410 1.00 0.00 WT1 H ATOM 25611 H2 TIP3 8811 36.150 80.859 20.459 1.00 0.00 WT1 H ATOM 25612 OH2 TIP3 8812 86.535 63.347 29.149 1.00 0.00 WT1 O ATOM 25613 H1 TIP3 8812 86.458 62.420 28.923 1.00 0.00 WT1 H ATOM 25614 H2 TIP3 8812 85.739 63.747 28.798 1.00 0.00 WT1 H ATOM 25615 OH2 TIP3 8813 26.964 10.709 47.847 1.00 0.00 WT1 O ATOM 25616 H1 TIP3 8813 27.533 10.647 47.080 1.00 0.00 WT1 H ATOM 25617 H2 TIP3 8813 27.301 11.459 48.336 1.00 0.00 WT1 H ATOM 25618 OH2 TIP3 8815 23.584 64.864 29.801 1.00 0.00 WT1 O ATOM 25619 H1 TIP3 8815 23.775 65.104 28.894 1.00 0.00 WT1 H ATOM 25620 H2 TIP3 8815 23.718 63.917 29.832 1.00 0.00 WT1 H ATOM 25621 OH2 TIP3 8816 26.974 68.717 26.956 1.00 0.00 WT1 O ATOM 25622 H1 TIP3 8816 27.371 69.587 26.915 1.00 0.00 WT1 H ATOM 25623 H2 TIP3 8816 26.032 68.884 26.971 1.00 0.00 WT1 H ATOM 25624 OH2 TIP3 8817 78.522 68.481 7.586 1.00 0.00 WT1 O ATOM 25625 H1 TIP3 8817 78.624 68.093 6.717 1.00 0.00 WT1 H ATOM 25626 H2 TIP3 8817 78.549 67.736 8.186 1.00 0.00 WT1 H ATOM 25627 OH2 TIP3 8818 72.493 88.854 3.607 1.00 0.00 WT1 O ATOM 25628 H1 TIP3 8818 71.619 88.595 3.902 1.00 0.00 WT1 H ATOM 25629 H2 TIP3 8818 72.334 89.400 2.837 1.00 0.00 WT1 H ATOM 25630 OH2 TIP3 8819 28.253 89.421 1.382 1.00 0.00 WT1 O ATOM 25631 H1 TIP3 8819 27.501 89.136 1.900 1.00 0.00 WT1 H ATOM 25632 H2 TIP3 8819 27.874 89.939 0.672 1.00 0.00 WT1 H ATOM 25633 OH2 TIP3 8820 63.373 27.821 18.599 1.00 0.00 WT1 O ATOM 25634 H1 TIP3 8820 62.666 27.176 18.626 1.00 0.00 WT1 H ATOM 25635 H2 TIP3 8820 63.206 28.391 19.349 1.00 0.00 WT1 H ATOM 25636 OH2 TIP3 8821 22.150 72.562 20.666 1.00 0.00 WT1 O ATOM 25637 H1 TIP3 8821 21.500 72.139 20.106 1.00 0.00 WT1 H ATOM 25638 H2 TIP3 8821 21.687 72.730 21.487 1.00 0.00 WT1 H ATOM 25639 OH2 TIP3 8822 36.032 38.111 35.979 1.00 0.00 WT1 O ATOM 25640 H1 TIP3 8822 35.807 38.876 35.450 1.00 0.00 WT1 H ATOM 25641 H2 TIP3 8822 36.153 37.407 35.342 1.00 0.00 WT1 H ATOM 25642 OH2 TIP3 8823 78.660 19.632 9.709 1.00 0.00 WT1 O ATOM 25643 H1 TIP3 8823 78.000 20.173 10.142 1.00 0.00 WT1 H ATOM 25644 H2 TIP3 8823 78.218 18.798 9.548 1.00 0.00 WT1 H ATOM 25645 OH2 TIP3 8824 31.517 29.282 22.557 1.00 0.00 WT1 O ATOM 25646 H1 TIP3 8824 31.031 29.337 23.380 1.00 0.00 WT1 H ATOM 25647 H2 TIP3 8824 32.381 29.638 22.764 1.00 0.00 WT1 H ATOM 25648 OH2 TIP3 8825 73.736 74.855 4.842 1.00 0.00 WT1 O ATOM 25649 H1 TIP3 8825 73.075 74.554 4.219 1.00 0.00 WT1 H ATOM 25650 H2 TIP3 8825 73.232 75.244 5.557 1.00 0.00 WT1 H ATOM 25651 OH2 TIP3 8827 70.304 73.447 16.809 1.00 0.00 WT1 O ATOM 25652 H1 TIP3 8827 70.575 73.528 15.895 1.00 0.00 WT1 H ATOM 25653 H2 TIP3 8827 69.348 73.404 16.773 1.00 0.00 WT1 H ATOM 25654 OH2 TIP3 8828 33.680 41.301 18.199 1.00 0.00 WT1 O ATOM 25655 H1 TIP3 8828 34.367 40.957 17.628 1.00 0.00 WT1 H ATOM 25656 H2 TIP3 8828 33.611 40.659 18.905 1.00 0.00 WT1 H ATOM 25657 OH2 TIP3 8829 69.931 19.887 11.353 1.00 0.00 WT1 O ATOM 25658 H1 TIP3 8829 70.185 20.802 11.230 1.00 0.00 WT1 H ATOM 25659 H2 TIP3 8829 70.206 19.680 12.246 1.00 0.00 WT1 H ATOM 25660 OH2 TIP3 8830 53.353 67.230 9.212 1.00 0.00 WT1 O ATOM 25661 H1 TIP3 8830 54.023 66.549 9.158 1.00 0.00 WT1 H ATOM 25662 H2 TIP3 8830 53.285 67.426 10.146 1.00 0.00 WT1 H ATOM 25663 OH2 TIP3 8832 57.880 67.699 21.711 1.00 0.00 WT1 O ATOM 25664 H1 TIP3 8832 57.107 67.250 21.369 1.00 0.00 WT1 H ATOM 25665 H2 TIP3 8832 58.619 67.194 21.371 1.00 0.00 WT1 H ATOM 25666 OH2 TIP3 8833 32.091 63.077 -11.001 1.00 0.00 WT1 O ATOM 25667 H1 TIP3 8833 31.173 63.009 -10.738 1.00 0.00 WT1 H ATOM 25668 H2 TIP3 8833 32.094 62.832 -11.926 1.00 0.00 WT1 H ATOM 25669 OH2 TIP3 8834 79.121 32.667 2.857 1.00 0.00 WT1 O ATOM 25670 H1 TIP3 8834 78.939 31.778 3.161 1.00 0.00 WT1 H ATOM 25671 H2 TIP3 8834 80.056 32.790 3.021 1.00 0.00 WT1 H ATOM 25672 OH2 TIP3 8835 65.482 59.651 24.863 1.00 0.00 WT1 O ATOM 25673 H1 TIP3 8835 64.975 58.845 24.771 1.00 0.00 WT1 H ATOM 25674 H2 TIP3 8835 64.933 60.326 24.464 1.00 0.00 WT1 H ATOM 25675 OH2 TIP3 8836 39.457 40.492 37.513 1.00 0.00 WT1 O ATOM 25676 H1 TIP3 8836 38.862 41.238 37.586 1.00 0.00 WT1 H ATOM 25677 H2 TIP3 8836 40.322 40.885 37.393 1.00 0.00 WT1 H ATOM 25678 OH2 TIP3 8837 32.744 86.470 4.924 1.00 0.00 WT1 O ATOM 25679 H1 TIP3 8837 32.816 86.381 5.875 1.00 0.00 WT1 H ATOM 25680 H2 TIP3 8837 33.353 85.820 4.575 1.00 0.00 WT1 H ATOM 25681 OH2 TIP3 8839 86.386 18.859 43.719 1.00 0.00 WT1 O ATOM 25682 H1 TIP3 8839 85.589 18.479 44.090 1.00 0.00 WT1 H ATOM 25683 H2 TIP3 8839 86.563 18.331 42.941 1.00 0.00 WT1 H ATOM 25684 OH2 TIP3 8840 47.364 7.016 53.411 1.00 0.00 WT1 O ATOM 25685 H1 TIP3 8840 47.964 6.561 54.002 1.00 0.00 WT1 H ATOM 25686 H2 TIP3 8840 46.997 6.323 52.862 1.00 0.00 WT1 H ATOM 25687 OH2 TIP3 8841 65.857 66.172 47.546 1.00 0.00 WT1 O ATOM 25688 H1 TIP3 8841 65.594 65.599 46.826 1.00 0.00 WT1 H ATOM 25689 H2 TIP3 8841 66.196 65.577 48.215 1.00 0.00 WT1 H ATOM 25690 OH2 TIP3 8842 75.716 4.062 35.575 1.00 0.00 WT1 O ATOM 25691 H1 TIP3 8842 74.876 4.516 35.639 1.00 0.00 WT1 H ATOM 25692 H2 TIP3 8842 76.343 4.748 35.347 1.00 0.00 WT1 H ATOM 25693 OH2 TIP3 8843 68.728 57.884 -4.234 1.00 0.00 WT1 O ATOM 25694 H1 TIP3 8843 69.617 57.838 -3.883 1.00 0.00 WT1 H ATOM 25695 H2 TIP3 8843 68.174 57.556 -3.525 1.00 0.00 WT1 H ATOM 25696 OH2 TIP3 8844 60.691 6.236 -0.224 1.00 0.00 WT1 O ATOM 25697 H1 TIP3 8844 60.503 5.372 -0.591 1.00 0.00 WT1 H ATOM 25698 H2 TIP3 8844 60.977 6.757 -0.974 1.00 0.00 WT1 H ATOM 25699 OH2 TIP3 8845 80.062 3.240 32.394 1.00 0.00 WT1 O ATOM 25700 H1 TIP3 8845 79.791 3.279 33.311 1.00 0.00 WT1 H ATOM 25701 H2 TIP3 8845 79.242 3.257 31.901 1.00 0.00 WT1 H ATOM 25702 OH2 TIP3 8846 61.091 16.236 21.893 1.00 0.00 WT1 O ATOM 25703 H1 TIP3 8846 61.491 16.960 21.412 1.00 0.00 WT1 H ATOM 25704 H2 TIP3 8846 60.149 16.398 21.831 1.00 0.00 WT1 H ATOM 25705 OH2 TIP3 8847 74.817 43.258 14.999 1.00 0.00 WT1 O ATOM 25706 H1 TIP3 8847 75.063 43.874 15.689 1.00 0.00 WT1 H ATOM 25707 H2 TIP3 8847 73.946 42.952 15.249 1.00 0.00 WT1 H ATOM 25708 OH2 TIP3 8848 25.181 91.870 -18.877 1.00 0.00 WT1 O ATOM 25709 H1 TIP3 8848 26.062 91.736 -19.225 1.00 0.00 WT1 H ATOM 25710 H2 TIP3 8848 24.945 92.756 -19.154 1.00 0.00 WT1 H ATOM 25711 OH2 TIP3 8849 84.550 76.972 -4.003 1.00 0.00 WT1 O ATOM 25712 H1 TIP3 8849 84.780 76.232 -3.440 1.00 0.00 WT1 H ATOM 25713 H2 TIP3 8849 85.178 76.930 -4.724 1.00 0.00 WT1 H ATOM 25714 OH2 TIP3 8850 37.049 84.562 62.819 1.00 0.00 WT1 O ATOM 25715 H1 TIP3 8850 37.003 84.036 62.020 1.00 0.00 WT1 H ATOM 25716 H2 TIP3 8850 37.660 84.088 63.383 1.00 0.00 WT1 H ATOM 25717 OH2 TIP3 8851 90.262 53.348 4.800 1.00 0.00 WT1 O ATOM 25718 H1 TIP3 8851 90.318 52.575 5.361 1.00 0.00 WT1 H ATOM 25719 H2 TIP3 8851 89.448 53.231 4.309 1.00 0.00 WT1 H ATOM 25720 OH2 TIP3 8852 62.805 52.585 4.900 1.00 0.00 WT1 O ATOM 25721 H1 TIP3 8852 62.330 53.407 5.020 1.00 0.00 WT1 H ATOM 25722 H2 TIP3 8852 62.758 52.153 5.753 1.00 0.00 WT1 H ATOM 25723 OH2 TIP3 8853 73.012 91.544 5.424 1.00 0.00 WT1 O ATOM 25724 H1 TIP3 8853 73.094 92.220 6.097 1.00 0.00 WT1 H ATOM 25725 H2 TIP3 8853 73.558 90.824 5.739 1.00 0.00 WT1 H ATOM 25726 OH2 TIP3 8854 85.965 5.578 37.047 1.00 0.00 WT1 O ATOM 25727 H1 TIP3 8854 85.641 5.855 36.190 1.00 0.00 WT1 H ATOM 25728 H2 TIP3 8854 85.443 4.805 37.263 1.00 0.00 WT1 H ATOM 25729 OH2 TIP3 8855 66.164 29.593 -9.799 1.00 0.00 WT1 O ATOM 25730 H1 TIP3 8855 66.610 30.340 -9.399 1.00 0.00 WT1 H ATOM 25731 H2 TIP3 8855 65.880 29.914 -10.655 1.00 0.00 WT1 H ATOM 25732 OH2 TIP3 8856 57.213 33.733 13.704 1.00 0.00 WT1 O ATOM 25733 H1 TIP3 8856 56.401 33.417 13.308 1.00 0.00 WT1 H ATOM 25734 H2 TIP3 8856 56.926 34.324 14.400 1.00 0.00 WT1 H ATOM 25735 OH2 TIP3 8857 31.415 8.176 44.517 1.00 0.00 WT1 O ATOM 25736 H1 TIP3 8857 31.636 8.988 44.974 1.00 0.00 WT1 H ATOM 25737 H2 TIP3 8857 32.170 7.605 44.663 1.00 0.00 WT1 H ATOM 25738 OH2 TIP3 8858 86.843 63.565 64.056 1.00 0.00 WT1 O ATOM 25739 H1 TIP3 8858 87.589 63.063 64.383 1.00 0.00 WT1 H ATOM 25740 H2 TIP3 8858 86.506 63.046 63.326 1.00 0.00 WT1 H ATOM 25741 OH2 TIP3 8859 76.671 92.719 30.044 1.00 0.00 WT1 O ATOM 25742 H1 TIP3 8859 76.180 93.349 30.572 1.00 0.00 WT1 H ATOM 25743 H2 TIP3 8859 76.333 92.835 29.156 1.00 0.00 WT1 H ATOM 25744 OH2 TIP3 8860 66.192 35.557 -7.718 1.00 0.00 WT1 O ATOM 25745 H1 TIP3 8860 66.489 35.388 -6.824 1.00 0.00 WT1 H ATOM 25746 H2 TIP3 8860 66.999 35.627 -8.229 1.00 0.00 WT1 H ATOM 25747 OH2 TIP3 8861 65.170 48.944 51.954 1.00 0.00 WT1 O ATOM 25748 H1 TIP3 8861 65.285 49.310 52.831 1.00 0.00 WT1 H ATOM 25749 H2 TIP3 8861 65.389 49.665 51.363 1.00 0.00 WT1 H ATOM 25750 OH2 TIP3 8863 49.544 73.830 -8.889 1.00 0.00 WT1 O ATOM 25751 H1 TIP3 8863 49.192 72.951 -8.752 1.00 0.00 WT1 H ATOM 25752 H2 TIP3 8863 48.805 74.334 -9.230 1.00 0.00 WT1 H ATOM 25753 OH2 TIP3 8864 52.154 37.665 36.095 1.00 0.00 WT1 O ATOM 25754 H1 TIP3 8864 52.834 37.728 35.424 1.00 0.00 WT1 H ATOM 25755 H2 TIP3 8864 51.855 38.566 36.217 1.00 0.00 WT1 H ATOM 25756 OH2 TIP3 8865 68.626 44.226 2.323 1.00 0.00 WT1 O ATOM 25757 H1 TIP3 8865 69.568 44.081 2.238 1.00 0.00 WT1 H ATOM 25758 H2 TIP3 8865 68.449 44.120 3.257 1.00 0.00 WT1 H ATOM 25759 OH2 TIP3 8866 67.264 95.237 27.728 1.00 0.00 WT1 O ATOM 25760 H1 TIP3 8866 67.071 94.610 28.426 1.00 0.00 WT1 H ATOM 25761 H2 TIP3 8866 66.460 95.748 27.635 1.00 0.00 WT1 H ATOM 25762 OH2 TIP3 8867 31.946 58.565 16.515 1.00 0.00 WT1 O ATOM 25763 H1 TIP3 8867 31.708 58.282 17.398 1.00 0.00 WT1 H ATOM 25764 H2 TIP3 8867 32.889 58.722 16.560 1.00 0.00 WT1 H ATOM 25765 OH2 TIP3 8868 83.327 68.187 42.389 1.00 0.00 WT1 O ATOM 25766 H1 TIP3 8868 82.533 67.678 42.547 1.00 0.00 WT1 H ATOM 25767 H2 TIP3 8868 83.966 67.546 42.078 1.00 0.00 WT1 H ATOM 25768 OH2 TIP3 8869 50.316 36.971 -9.081 1.00 0.00 WT1 O ATOM 25769 H1 TIP3 8869 49.391 36.727 -9.123 1.00 0.00 WT1 H ATOM 25770 H2 TIP3 8869 50.768 36.161 -8.845 1.00 0.00 WT1 H ATOM 25771 OH2 TIP3 8870 64.997 6.536 -7.930 1.00 0.00 WT1 O ATOM 25772 H1 TIP3 8870 64.861 6.623 -8.873 1.00 0.00 WT1 H ATOM 25773 H2 TIP3 8870 64.594 7.319 -7.555 1.00 0.00 WT1 H ATOM 25774 OH2 TIP3 8871 72.881 56.098 9.150 1.00 0.00 WT1 O ATOM 25775 H1 TIP3 8871 72.412 55.297 9.381 1.00 0.00 WT1 H ATOM 25776 H2 TIP3 8871 72.250 56.608 8.643 1.00 0.00 WT1 H ATOM 25777 OH2 TIP3 8872 20.742 68.372 9.912 1.00 0.00 WT1 O ATOM 25778 H1 TIP3 8872 20.803 67.571 9.391 1.00 0.00 WT1 H ATOM 25779 H2 TIP3 8872 21.216 69.027 9.400 1.00 0.00 WT1 H ATOM 25780 OH2 TIP3 8873 67.292 96.289 -10.048 1.00 0.00 WT1 O ATOM 25781 H1 TIP3 8873 67.796 96.691 -9.341 1.00 0.00 WT1 H ATOM 25782 H2 TIP3 8873 67.323 95.350 -9.862 1.00 0.00 WT1 H ATOM 25783 OH2 TIP3 8874 64.528 96.693 17.888 1.00 0.00 WT1 O ATOM 25784 H1 TIP3 8874 64.217 95.793 17.990 1.00 0.00 WT1 H ATOM 25785 H2 TIP3 8874 65.244 96.771 18.520 1.00 0.00 WT1 H ATOM 25786 OH2 TIP3 8875 26.666 61.511 1.796 1.00 0.00 WT1 O ATOM 25787 H1 TIP3 8875 27.429 61.510 1.218 1.00 0.00 WT1 H ATOM 25788 H2 TIP3 8875 26.538 60.590 2.025 1.00 0.00 WT1 H ATOM 25789 OH2 TIP3 8876 50.535 57.710 46.579 1.00 0.00 WT1 O ATOM 25790 H1 TIP3 8876 50.026 58.400 47.004 1.00 0.00 WT1 H ATOM 25791 H2 TIP3 8876 51.055 58.167 45.919 1.00 0.00 WT1 H ATOM 25792 OH2 TIP3 8877 89.302 51.605 19.813 1.00 0.00 WT1 O ATOM 25793 H1 TIP3 8877 89.899 52.100 19.252 1.00 0.00 WT1 H ATOM 25794 H2 TIP3 8877 89.689 51.665 20.687 1.00 0.00 WT1 H ATOM 25795 OH2 TIP3 8878 23.157 30.983 -2.116 1.00 0.00 WT1 O ATOM 25796 H1 TIP3 8878 23.133 30.027 -2.146 1.00 0.00 WT1 H ATOM 25797 H2 TIP3 8878 23.494 31.188 -1.244 1.00 0.00 WT1 H ATOM 25798 OH2 TIP3 8879 49.573 16.800 23.576 1.00 0.00 WT1 O ATOM 25799 H1 TIP3 8879 50.137 17.271 22.963 1.00 0.00 WT1 H ATOM 25800 H2 TIP3 8879 49.125 17.489 24.067 1.00 0.00 WT1 H ATOM 25801 OH2 TIP3 8880 21.427 60.934 42.985 1.00 0.00 WT1 O ATOM 25802 H1 TIP3 8880 21.997 60.861 42.219 1.00 0.00 WT1 H ATOM 25803 H2 TIP3 8880 20.551 60.741 42.652 1.00 0.00 WT1 H ATOM 25804 OH2 TIP3 8881 65.442 55.240 15.950 1.00 0.00 WT1 O ATOM 25805 H1 TIP3 8881 65.322 55.680 15.109 1.00 0.00 WT1 H ATOM 25806 H2 TIP3 8881 64.735 54.596 15.987 1.00 0.00 WT1 H ATOM 25807 OH2 TIP3 8882 79.944 36.229 40.304 1.00 0.00 WT1 O ATOM 25808 H1 TIP3 8882 80.425 36.853 40.847 1.00 0.00 WT1 H ATOM 25809 H2 TIP3 8882 79.048 36.261 40.639 1.00 0.00 WT1 H ATOM 25810 OH2 TIP3 8883 30.778 69.891 4.880 1.00 0.00 WT1 O ATOM 25811 H1 TIP3 8883 30.805 70.023 5.828 1.00 0.00 WT1 H ATOM 25812 H2 TIP3 8883 31.312 70.601 4.524 1.00 0.00 WT1 H ATOM 25813 OH2 TIP3 8884 48.896 94.025 0.014 1.00 0.00 WT1 O ATOM 25814 H1 TIP3 8884 49.834 93.844 -0.055 1.00 0.00 WT1 H ATOM 25815 H2 TIP3 8884 48.768 94.278 0.928 1.00 0.00 WT1 H ATOM 25816 OH2 TIP3 8885 76.192 18.935 -0.095 1.00 0.00 WT1 O ATOM 25817 H1 TIP3 8885 75.315 18.607 0.103 1.00 0.00 WT1 H ATOM 25818 H2 TIP3 8885 76.261 18.877 -1.048 1.00 0.00 WT1 H ATOM 25819 OH2 TIP3 8886 90.365 16.336 45.080 1.00 0.00 WT1 O ATOM 25820 H1 TIP3 8886 91.179 15.833 45.093 1.00 0.00 WT1 H ATOM 25821 H2 TIP3 8886 90.140 16.453 46.003 1.00 0.00 WT1 H ATOM 25822 OH2 TIP3 8887 21.937 38.721 -12.605 1.00 0.00 WT1 O ATOM 25823 H1 TIP3 8887 21.130 38.208 -12.644 1.00 0.00 WT1 H ATOM 25824 H2 TIP3 8887 21.884 39.187 -11.770 1.00 0.00 WT1 H ATOM 25825 OH2 TIP3 8888 28.162 26.541 39.350 1.00 0.00 WT1 O ATOM 25826 H1 TIP3 8888 28.603 27.376 39.512 1.00 0.00 WT1 H ATOM 25827 H2 TIP3 8888 27.597 26.416 40.112 1.00 0.00 WT1 H ATOM 25828 OH2 TIP3 8889 56.453 93.045 59.514 1.00 0.00 WT1 O ATOM 25829 H1 TIP3 8889 55.761 92.494 59.150 1.00 0.00 WT1 H ATOM 25830 H2 TIP3 8889 57.102 92.425 59.848 1.00 0.00 WT1 H ATOM 25831 OH2 TIP3 8890 60.236 61.607 -14.113 1.00 0.00 WT1 O ATOM 25832 H1 TIP3 8890 59.311 61.371 -14.178 1.00 0.00 WT1 H ATOM 25833 H2 TIP3 8890 60.272 62.246 -13.401 1.00 0.00 WT1 H ATOM 25834 OH2 TIP3 8891 35.041 51.574 43.830 1.00 0.00 WT1 O ATOM 25835 H1 TIP3 8891 35.831 51.058 43.666 1.00 0.00 WT1 H ATOM 25836 H2 TIP3 8891 35.131 51.870 44.736 1.00 0.00 WT1 H ATOM 25837 OH2 TIP3 8893 68.729 20.443 36.497 1.00 0.00 WT1 O ATOM 25838 H1 TIP3 8893 69.554 20.678 36.922 1.00 0.00 WT1 H ATOM 25839 H2 TIP3 8893 68.301 21.281 36.322 1.00 0.00 WT1 H ATOM 25840 OH2 TIP3 8894 79.825 87.487 32.018 1.00 0.00 WT1 O ATOM 25841 H1 TIP3 8894 79.218 88.124 32.395 1.00 0.00 WT1 H ATOM 25842 H2 TIP3 8894 80.156 87.911 31.226 1.00 0.00 WT1 H ATOM 25843 OH2 TIP3 8895 70.772 44.218 28.584 1.00 0.00 WT1 O ATOM 25844 H1 TIP3 8895 70.096 43.761 28.086 1.00 0.00 WT1 H ATOM 25845 H2 TIP3 8895 71.584 44.035 28.112 1.00 0.00 WT1 H ATOM 25846 OH2 TIP3 8896 28.504 20.149 23.483 1.00 0.00 WT1 O ATOM 25847 H1 TIP3 8896 28.789 19.396 24.001 1.00 0.00 WT1 H ATOM 25848 H2 TIP3 8896 28.627 19.876 22.574 1.00 0.00 WT1 H ATOM 25849 OH2 TIP3 8897 39.421 40.538 -18.416 1.00 0.00 WT1 O ATOM 25850 H1 TIP3 8897 39.528 40.735 -19.346 1.00 0.00 WT1 H ATOM 25851 H2 TIP3 8897 38.488 40.671 -18.249 1.00 0.00 WT1 H ATOM 25852 OH2 TIP3 8898 26.901 25.653 21.900 1.00 0.00 WT1 O ATOM 25853 H1 TIP3 8898 27.081 25.874 22.814 1.00 0.00 WT1 H ATOM 25854 H2 TIP3 8898 26.533 26.454 21.528 1.00 0.00 WT1 H ATOM 25855 OH2 TIP3 8899 41.304 8.195 6.932 1.00 0.00 WT1 O ATOM 25856 H1 TIP3 8899 40.623 8.646 6.433 1.00 0.00 WT1 H ATOM 25857 H2 TIP3 8899 41.699 7.589 6.305 1.00 0.00 WT1 H ATOM 25858 OH2 TIP3 8900 43.892 46.478 49.882 1.00 0.00 WT1 O ATOM 25859 H1 TIP3 8900 44.116 47.405 49.968 1.00 0.00 WT1 H ATOM 25860 H2 TIP3 8900 43.340 46.436 49.101 1.00 0.00 WT1 H ATOM 25861 OH2 TIP3 8901 41.471 38.985 14.780 1.00 0.00 WT1 O ATOM 25862 H1 TIP3 8901 41.798 39.804 15.153 1.00 0.00 WT1 H ATOM 25863 H2 TIP3 8901 42.250 38.435 14.689 1.00 0.00 WT1 H ATOM 25864 OH2 TIP3 8902 27.293 6.470 26.688 1.00 0.00 WT1 O ATOM 25865 H1 TIP3 8902 26.613 5.905 27.054 1.00 0.00 WT1 H ATOM 25866 H2 TIP3 8902 27.480 6.094 25.828 1.00 0.00 WT1 H ATOM 25867 OH2 TIP3 8903 73.529 37.446 46.393 1.00 0.00 WT1 O ATOM 25868 H1 TIP3 8903 74.110 37.555 47.146 1.00 0.00 WT1 H ATOM 25869 H2 TIP3 8903 74.028 37.792 45.653 1.00 0.00 WT1 H ATOM 25870 OH2 TIP3 8904 87.055 95.741 47.669 1.00 0.00 WT1 O ATOM 25871 H1 TIP3 8904 87.968 95.955 47.477 1.00 0.00 WT1 H ATOM 25872 H2 TIP3 8904 86.952 95.940 48.599 1.00 0.00 WT1 H ATOM 25873 OH2 TIP3 8905 53.447 13.125 58.517 1.00 0.00 WT1 O ATOM 25874 H1 TIP3 8905 53.244 12.623 57.728 1.00 0.00 WT1 H ATOM 25875 H2 TIP3 8905 52.939 12.701 59.208 1.00 0.00 WT1 H ATOM 25876 OH2 TIP3 8906 49.864 21.327 40.023 1.00 0.00 WT1 O ATOM 25877 H1 TIP3 8906 49.409 21.677 39.256 1.00 0.00 WT1 H ATOM 25878 H2 TIP3 8906 49.676 20.389 40.005 1.00 0.00 WT1 H ATOM 25879 OH2 TIP3 8907 47.654 25.827 -8.984 1.00 0.00 WT1 O ATOM 25880 H1 TIP3 8907 48.533 25.660 -8.645 1.00 0.00 WT1 H ATOM 25881 H2 TIP3 8907 47.222 24.973 -8.964 1.00 0.00 WT1 H ATOM 25882 OH2 TIP3 8908 64.043 95.345 48.044 1.00 0.00 WT1 O ATOM 25883 H1 TIP3 8908 63.470 94.903 47.417 1.00 0.00 WT1 H ATOM 25884 H2 TIP3 8908 64.096 94.743 48.786 1.00 0.00 WT1 H ATOM 25885 OH2 TIP3 8909 31.019 18.219 41.866 1.00 0.00 WT1 O ATOM 25886 H1 TIP3 8909 31.872 18.640 41.766 1.00 0.00 WT1 H ATOM 25887 H2 TIP3 8909 31.208 17.281 41.828 1.00 0.00 WT1 H ATOM 25888 OH2 TIP3 8910 87.903 55.431 24.121 1.00 0.00 WT1 O ATOM 25889 H1 TIP3 8910 87.427 55.531 23.296 1.00 0.00 WT1 H ATOM 25890 H2 TIP3 8910 87.439 54.731 24.581 1.00 0.00 WT1 H ATOM 25891 OH2 TIP3 8911 21.446 50.394 57.516 1.00 0.00 WT1 O ATOM 25892 H1 TIP3 8911 21.332 51.025 56.806 1.00 0.00 WT1 H ATOM 25893 H2 TIP3 8911 21.612 50.931 58.290 1.00 0.00 WT1 H ATOM 25894 OH2 TIP3 8912 54.028 28.532 13.008 1.00 0.00 WT1 O ATOM 25895 H1 TIP3 8912 53.849 28.090 13.838 1.00 0.00 WT1 H ATOM 25896 H2 TIP3 8912 53.209 28.462 12.517 1.00 0.00 WT1 H ATOM 25897 OH2 TIP3 8913 69.863 26.663 14.703 1.00 0.00 WT1 O ATOM 25898 H1 TIP3 8913 70.337 26.848 13.892 1.00 0.00 WT1 H ATOM 25899 H2 TIP3 8913 69.199 27.350 14.755 1.00 0.00 WT1 H ATOM 25900 OH2 TIP3 8914 78.028 51.432 57.987 1.00 0.00 WT1 O ATOM 25901 H1 TIP3 8914 78.251 50.524 57.783 1.00 0.00 WT1 H ATOM 25902 H2 TIP3 8914 77.241 51.369 58.529 1.00 0.00 WT1 H ATOM 25903 OH2 TIP3 8915 70.564 90.446 -7.151 1.00 0.00 WT1 O ATOM 25904 H1 TIP3 8915 70.778 89.579 -7.495 1.00 0.00 WT1 H ATOM 25905 H2 TIP3 8915 69.627 90.406 -6.963 1.00 0.00 WT1 H ATOM 25906 OH2 TIP3 8916 70.032 71.685 14.504 1.00 0.00 WT1 O ATOM 25907 H1 TIP3 8916 69.162 72.067 14.388 1.00 0.00 WT1 H ATOM 25908 H2 TIP3 8916 70.456 71.789 13.652 1.00 0.00 WT1 H ATOM 25909 OH2 TIP3 8917 46.738 21.854 43.174 1.00 0.00 WT1 O ATOM 25910 H1 TIP3 8917 47.615 21.758 43.546 1.00 0.00 WT1 H ATOM 25911 H2 TIP3 8917 46.813 21.496 42.289 1.00 0.00 WT1 H ATOM 25912 OH2 TIP3 8918 39.153 22.528 11.305 1.00 0.00 WT1 O ATOM 25913 H1 TIP3 8918 38.245 22.796 11.162 1.00 0.00 WT1 H ATOM 25914 H2 TIP3 8918 39.665 23.099 10.733 1.00 0.00 WT1 H ATOM 25915 OH2 TIP3 8919 53.002 92.566 49.777 1.00 0.00 WT1 O ATOM 25916 H1 TIP3 8919 52.239 91.990 49.752 1.00 0.00 WT1 H ATOM 25917 H2 TIP3 8919 53.307 92.602 48.871 1.00 0.00 WT1 H ATOM 25918 OH2 TIP3 8920 87.814 0.296 -3.655 1.00 0.00 WT1 O ATOM 25919 H1 TIP3 8920 87.122 0.458 -4.296 1.00 0.00 WT1 H ATOM 25920 H2 TIP3 8920 87.807 -0.653 -3.529 1.00 0.00 WT1 H ATOM 25921 OH2 TIP3 8921 33.135 92.719 49.046 1.00 0.00 WT1 O ATOM 25922 H1 TIP3 8921 33.027 93.302 48.295 1.00 0.00 WT1 H ATOM 25923 H2 TIP3 8921 33.644 93.229 49.675 1.00 0.00 WT1 H ATOM 25924 OH2 TIP3 8922 32.553 45.208 37.203 1.00 0.00 WT1 O ATOM 25925 H1 TIP3 8922 31.677 45.123 36.825 1.00 0.00 WT1 H ATOM 25926 H2 TIP3 8922 33.068 45.638 36.521 1.00 0.00 WT1 H ATOM 25927 OH2 TIP3 8923 42.791 38.056 55.406 1.00 0.00 WT1 O ATOM 25928 H1 TIP3 8923 42.880 37.156 55.092 1.00 0.00 WT1 H ATOM 25929 H2 TIP3 8923 43.285 38.580 54.777 1.00 0.00 WT1 H ATOM 25930 OH2 TIP3 8924 68.724 75.314 55.438 1.00 0.00 WT1 O ATOM 25931 H1 TIP3 8924 68.630 74.959 54.555 1.00 0.00 WT1 H ATOM 25932 H2 TIP3 8924 67.876 75.715 55.628 1.00 0.00 WT1 H ATOM 25933 OH2 TIP3 8926 44.822 51.902 51.537 1.00 0.00 WT1 O ATOM 25934 H1 TIP3 8926 44.753 52.228 52.434 1.00 0.00 WT1 H ATOM 25935 H2 TIP3 8926 45.623 52.301 51.197 1.00 0.00 WT1 H ATOM 25936 OH2 TIP3 8927 61.001 90.645 59.692 1.00 0.00 WT1 O ATOM 25937 H1 TIP3 8927 61.065 89.765 59.320 1.00 0.00 WT1 H ATOM 25938 H2 TIP3 8927 60.372 91.098 59.131 1.00 0.00 WT1 H ATOM 25939 OH2 TIP3 8928 55.679 86.550 17.926 1.00 0.00 WT1 O ATOM 25940 H1 TIP3 8928 56.120 87.328 17.583 1.00 0.00 WT1 H ATOM 25941 H2 TIP3 8928 55.362 86.815 18.790 1.00 0.00 WT1 H ATOM 25942 OH2 TIP3 8929 25.046 55.045 31.336 1.00 0.00 WT1 O ATOM 25943 H1 TIP3 8929 24.176 54.779 31.041 1.00 0.00 WT1 H ATOM 25944 H2 TIP3 8929 25.610 54.910 30.575 1.00 0.00 WT1 H ATOM 25945 OH2 TIP3 8930 49.274 12.515 -2.652 1.00 0.00 WT1 O ATOM 25946 H1 TIP3 8930 48.895 12.477 -1.774 1.00 0.00 WT1 H ATOM 25947 H2 TIP3 8930 49.785 13.325 -2.658 1.00 0.00 WT1 H ATOM 25948 OH2 TIP3 8931 27.212 80.837 0.817 1.00 0.00 WT1 O ATOM 25949 H1 TIP3 8931 27.399 80.431 1.663 1.00 0.00 WT1 H ATOM 25950 H2 TIP3 8931 27.603 80.245 0.175 1.00 0.00 WT1 H ATOM 25951 OH2 TIP3 8932 33.542 34.315 54.173 1.00 0.00 WT1 O ATOM 25952 H1 TIP3 8932 34.033 33.590 53.786 1.00 0.00 WT1 H ATOM 25953 H2 TIP3 8932 32.627 34.123 53.967 1.00 0.00 WT1 H ATOM 25954 OH2 TIP3 8933 29.422 83.773 32.029 1.00 0.00 WT1 O ATOM 25955 H1 TIP3 8933 29.228 84.096 32.909 1.00 0.00 WT1 H ATOM 25956 H2 TIP3 8933 30.033 83.049 32.168 1.00 0.00 WT1 H ATOM 25957 OH2 TIP3 8934 68.467 72.473 49.608 1.00 0.00 WT1 O ATOM 25958 H1 TIP3 8934 68.121 71.664 49.985 1.00 0.00 WT1 H ATOM 25959 H2 TIP3 8934 68.058 72.530 48.745 1.00 0.00 WT1 H ATOM 25960 OH2 TIP3 8935 31.543 32.435 8.946 1.00 0.00 WT1 O ATOM 25961 H1 TIP3 8935 30.726 32.432 8.448 1.00 0.00 WT1 H ATOM 25962 H2 TIP3 8935 32.212 32.686 8.309 1.00 0.00 WT1 H ATOM 25963 OH2 TIP3 8936 46.304 46.685 9.319 1.00 0.00 WT1 O ATOM 25964 H1 TIP3 8936 46.407 45.764 9.559 1.00 0.00 WT1 H ATOM 25965 H2 TIP3 8936 47.161 47.074 9.491 1.00 0.00 WT1 H ATOM 25966 OH2 TIP3 8937 22.469 53.133 47.437 1.00 0.00 WT1 O ATOM 25967 H1 TIP3 8937 22.441 52.322 46.930 1.00 0.00 WT1 H ATOM 25968 H2 TIP3 8937 23.002 53.728 46.910 1.00 0.00 WT1 H ATOM 25969 OH2 TIP3 8938 22.490 23.390 54.182 1.00 0.00 WT1 O ATOM 25970 H1 TIP3 8938 21.785 23.331 54.827 1.00 0.00 WT1 H ATOM 25971 H2 TIP3 8938 23.233 22.954 54.598 1.00 0.00 WT1 H ATOM 25972 OH2 TIP3 8939 46.350 68.116 3.326 1.00 0.00 WT1 O ATOM 25973 H1 TIP3 8939 46.847 68.694 3.904 1.00 0.00 WT1 H ATOM 25974 H2 TIP3 8939 46.462 67.244 3.704 1.00 0.00 WT1 H ATOM 25975 OH2 TIP3 8940 89.342 11.348 42.555 1.00 0.00 WT1 O ATOM 25976 H1 TIP3 8940 90.035 11.916 42.219 1.00 0.00 WT1 H ATOM 25977 H2 TIP3 8940 89.687 11.011 43.382 1.00 0.00 WT1 H ATOM 25978 OH2 TIP3 8941 67.976 10.981 5.620 1.00 0.00 WT1 O ATOM 25979 H1 TIP3 8941 67.297 11.627 5.425 1.00 0.00 WT1 H ATOM 25980 H2 TIP3 8941 68.291 11.220 6.492 1.00 0.00 WT1 H ATOM 25981 OH2 TIP3 8942 58.236 81.864 21.846 1.00 0.00 WT1 O ATOM 25982 H1 TIP3 8942 57.404 81.392 21.865 1.00 0.00 WT1 H ATOM 25983 H2 TIP3 8942 58.828 81.328 22.374 1.00 0.00 WT1 H ATOM 25984 OH2 TIP3 8943 28.805 22.735 16.546 1.00 0.00 WT1 O ATOM 25985 H1 TIP3 8943 28.075 23.133 17.021 1.00 0.00 WT1 H ATOM 25986 H2 TIP3 8943 29.586 23.147 16.918 1.00 0.00 WT1 H ATOM 25987 OH2 TIP3 8944 45.478 18.587 62.705 1.00 0.00 WT1 O ATOM 25988 H1 TIP3 8944 45.681 18.059 61.933 1.00 0.00 WT1 H ATOM 25989 H2 TIP3 8944 46.112 19.304 62.679 1.00 0.00 WT1 H ATOM 25990 OH2 TIP3 8945 75.359 36.986 0.851 1.00 0.00 WT1 O ATOM 25991 H1 TIP3 8945 74.873 36.177 1.015 1.00 0.00 WT1 H ATOM 25992 H2 TIP3 8945 75.960 36.765 0.140 1.00 0.00 WT1 H ATOM 25993 OH2 TIP3 8946 70.833 3.287 64.200 1.00 0.00 WT1 O ATOM 25994 H1 TIP3 8946 70.669 2.794 63.397 1.00 0.00 WT1 H ATOM 25995 H2 TIP3 8946 70.594 2.685 64.905 1.00 0.00 WT1 H ATOM 25996 OH2 TIP3 8947 63.031 60.435 -7.137 1.00 0.00 WT1 O ATOM 25997 H1 TIP3 8947 63.534 59.895 -7.746 1.00 0.00 WT1 H ATOM 25998 H2 TIP3 8947 62.213 59.955 -7.010 1.00 0.00 WT1 H ATOM 25999 OH2 TIP3 8948 78.333 36.742 44.397 1.00 0.00 WT1 O ATOM 26000 H1 TIP3 8948 78.858 37.459 44.752 1.00 0.00 WT1 H ATOM 26001 H2 TIP3 8948 78.948 36.014 44.310 1.00 0.00 WT1 H ATOM 26002 OH2 TIP3 8949 69.584 45.670 14.835 1.00 0.00 WT1 O ATOM 26003 H1 TIP3 8949 68.853 45.823 14.237 1.00 0.00 WT1 H ATOM 26004 H2 TIP3 8949 69.280 44.970 15.413 1.00 0.00 WT1 H ATOM 26005 OH2 TIP3 8950 66.902 33.043 23.608 1.00 0.00 WT1 O ATOM 26006 H1 TIP3 8950 66.301 32.339 23.853 1.00 0.00 WT1 H ATOM 26007 H2 TIP3 8950 66.331 33.757 23.324 1.00 0.00 WT1 H ATOM 26008 OH2 TIP3 8951 47.204 33.803 -19.676 1.00 0.00 WT1 O ATOM 26009 H1 TIP3 8951 47.484 32.911 -19.469 1.00 0.00 WT1 H ATOM 26010 H2 TIP3 8951 47.866 34.127 -20.286 1.00 0.00 WT1 H ATOM 26011 OH2 TIP3 8952 54.466 23.632 64.316 1.00 0.00 WT1 O ATOM 26012 H1 TIP3 8952 54.175 23.815 65.209 1.00 0.00 WT1 H ATOM 26013 H2 TIP3 8952 53.777 23.995 63.759 1.00 0.00 WT1 H ATOM 26014 OH2 TIP3 8953 48.698 37.965 15.563 1.00 0.00 WT1 O ATOM 26015 H1 TIP3 8953 48.006 37.304 15.589 1.00 0.00 WT1 H ATOM 26016 H2 TIP3 8953 48.595 38.453 16.380 1.00 0.00 WT1 H ATOM 26017 OH2 TIP3 8954 90.524 78.826 -13.765 1.00 0.00 WT1 O ATOM 26018 H1 TIP3 8954 91.334 78.328 -13.875 1.00 0.00 WT1 H ATOM 26019 H2 TIP3 8954 89.829 78.171 -13.832 1.00 0.00 WT1 H ATOM 26020 OH2 TIP3 8955 78.095 80.266 34.728 1.00 0.00 WT1 O ATOM 26021 H1 TIP3 8955 78.824 79.714 35.009 1.00 0.00 WT1 H ATOM 26022 H2 TIP3 8955 78.457 81.152 34.711 1.00 0.00 WT1 H ATOM 26023 OH2 TIP3 8956 51.580 5.597 14.308 1.00 0.00 WT1 O ATOM 26024 H1 TIP3 8956 51.104 5.394 13.503 1.00 0.00 WT1 H ATOM 26025 H2 TIP3 8956 50.896 5.793 14.948 1.00 0.00 WT1 H ATOM 26026 OH2 TIP3 8957 24.355 36.590 27.648 1.00 0.00 WT1 O ATOM 26027 H1 TIP3 8957 23.826 37.387 27.594 1.00 0.00 WT1 H ATOM 26028 H2 TIP3 8957 25.186 36.879 28.026 1.00 0.00 WT1 H ATOM 26029 OH2 TIP3 8958 62.819 27.872 59.783 1.00 0.00 WT1 O ATOM 26030 H1 TIP3 8958 62.765 28.680 60.295 1.00 0.00 WT1 H ATOM 26031 H2 TIP3 8958 62.432 28.099 58.937 1.00 0.00 WT1 H ATOM 26032 OH2 TIP3 8959 22.753 42.940 27.498 1.00 0.00 WT1 O ATOM 26033 H1 TIP3 8959 22.613 43.242 28.396 1.00 0.00 WT1 H ATOM 26034 H2 TIP3 8959 23.406 42.245 27.577 1.00 0.00 WT1 H ATOM 26035 OH2 TIP3 8960 41.918 0.645 45.688 1.00 0.00 WT1 O ATOM 26036 H1 TIP3 8960 41.683 1.211 46.423 1.00 0.00 WT1 H ATOM 26037 H2 TIP3 8960 42.308 1.237 45.044 1.00 0.00 WT1 H ATOM 26038 OH2 TIP3 8961 21.242 72.507 6.638 1.00 0.00 WT1 O ATOM 26039 H1 TIP3 8961 22.131 72.671 6.322 1.00 0.00 WT1 H ATOM 26040 H2 TIP3 8961 21.300 72.620 7.586 1.00 0.00 WT1 H ATOM 26041 OH2 TIP3 8962 63.433 40.236 -5.589 1.00 0.00 WT1 O ATOM 26042 H1 TIP3 8962 62.563 40.524 -5.312 1.00 0.00 WT1 H ATOM 26043 H2 TIP3 8962 63.584 39.425 -5.103 1.00 0.00 WT1 H ATOM 26044 OH2 TIP3 8963 23.104 93.848 33.678 1.00 0.00 WT1 O ATOM 26045 H1 TIP3 8963 22.164 93.668 33.681 1.00 0.00 WT1 H ATOM 26046 H2 TIP3 8963 23.503 93.049 34.022 1.00 0.00 WT1 H ATOM 26047 OH2 TIP3 8964 82.518 8.716 -16.295 1.00 0.00 WT1 O ATOM 26048 H1 TIP3 8964 82.798 9.569 -16.628 1.00 0.00 WT1 H ATOM 26049 H2 TIP3 8964 81.563 8.732 -16.368 1.00 0.00 WT1 H ATOM 26050 OH2 TIP3 8965 21.931 29.621 52.881 1.00 0.00 WT1 O ATOM 26051 H1 TIP3 8965 21.062 29.387 52.554 1.00 0.00 WT1 H ATOM 26052 H2 TIP3 8965 22.084 30.504 52.545 1.00 0.00 WT1 H ATOM 26053 OH2 TIP3 8966 26.566 47.565 31.120 1.00 0.00 WT1 O ATOM 26054 H1 TIP3 8966 25.914 47.999 31.670 1.00 0.00 WT1 H ATOM 26055 H2 TIP3 8966 26.314 47.793 30.225 1.00 0.00 WT1 H ATOM 26056 OH2 TIP3 8967 81.103 31.044 53.750 1.00 0.00 WT1 O ATOM 26057 H1 TIP3 8967 81.802 30.392 53.700 1.00 0.00 WT1 H ATOM 26058 H2 TIP3 8967 81.275 31.635 53.017 1.00 0.00 WT1 H ATOM 26059 OH2 TIP3 8968 78.409 40.494 5.261 1.00 0.00 WT1 O ATOM 26060 H1 TIP3 8968 77.723 40.056 5.765 1.00 0.00 WT1 H ATOM 26061 H2 TIP3 8968 78.737 41.178 5.846 1.00 0.00 WT1 H ATOM 26062 OH2 TIP3 8969 65.010 72.884 2.661 1.00 0.00 WT1 O ATOM 26063 H1 TIP3 8969 64.355 73.534 2.406 1.00 0.00 WT1 H ATOM 26064 H2 TIP3 8969 64.890 72.778 3.604 1.00 0.00 WT1 H ATOM 26065 OH2 TIP3 8970 28.217 77.273 -10.039 1.00 0.00 WT1 O ATOM 26066 H1 TIP3 8970 28.698 76.832 -10.739 1.00 0.00 WT1 H ATOM 26067 H2 TIP3 8970 28.401 78.203 -10.170 1.00 0.00 WT1 H ATOM 26068 OH2 TIP3 8971 74.758 28.084 -18.642 1.00 0.00 WT1 O ATOM 26069 H1 TIP3 8971 74.188 27.760 -19.339 1.00 0.00 WT1 H ATOM 26070 H2 TIP3 8971 75.643 27.862 -18.932 1.00 0.00 WT1 H ATOM 26071 OH2 TIP3 8972 52.248 33.832 36.387 1.00 0.00 WT1 O ATOM 26072 H1 TIP3 8972 51.830 33.013 36.652 1.00 0.00 WT1 H ATOM 26073 H2 TIP3 8972 51.535 34.472 36.373 1.00 0.00 WT1 H ATOM 26074 OH2 TIP3 8973 65.890 61.119 -5.567 1.00 0.00 WT1 O ATOM 26075 H1 TIP3 8973 65.405 60.675 -4.871 1.00 0.00 WT1 H ATOM 26076 H2 TIP3 8973 65.351 61.001 -6.349 1.00 0.00 WT1 H ATOM 26077 OH2 TIP3 8974 54.376 65.056 58.069 1.00 0.00 WT1 O ATOM 26078 H1 TIP3 8974 54.972 64.358 57.796 1.00 0.00 WT1 H ATOM 26079 H2 TIP3 8974 53.755 65.138 57.345 1.00 0.00 WT1 H ATOM 26080 OH2 TIP3 8975 30.888 14.554 -6.116 1.00 0.00 WT1 O ATOM 26081 H1 TIP3 8975 31.212 14.375 -6.999 1.00 0.00 WT1 H ATOM 26082 H2 TIP3 8975 30.397 15.371 -6.202 1.00 0.00 WT1 H ATOM 26083 OH2 TIP3 8976 39.821 67.325 14.525 1.00 0.00 WT1 O ATOM 26084 H1 TIP3 8976 39.961 66.915 13.672 1.00 0.00 WT1 H ATOM 26085 H2 TIP3 8976 39.910 66.609 15.154 1.00 0.00 WT1 H ATOM 26086 OH2 TIP3 8977 39.703 81.185 21.941 1.00 0.00 WT1 O ATOM 26087 H1 TIP3 8977 39.797 80.806 22.815 1.00 0.00 WT1 H ATOM 26088 H2 TIP3 8977 40.301 80.675 21.394 1.00 0.00 WT1 H ATOM 26089 OH2 TIP3 8978 55.179 4.159 -19.212 1.00 0.00 WT1 O ATOM 26090 H1 TIP3 8978 55.787 4.492 -18.552 1.00 0.00 WT1 H ATOM 26091 H2 TIP3 8978 54.726 3.436 -18.778 1.00 0.00 WT1 H ATOM 26092 OH2 TIP3 8979 63.160 33.053 12.854 1.00 0.00 WT1 O ATOM 26093 H1 TIP3 8979 62.416 32.973 13.450 1.00 0.00 WT1 H ATOM 26094 H2 TIP3 8979 62.765 33.185 11.992 1.00 0.00 WT1 H ATOM 26095 OH2 TIP3 8980 52.182 38.367 50.878 1.00 0.00 WT1 O ATOM 26096 H1 TIP3 8980 51.680 38.371 51.694 1.00 0.00 WT1 H ATOM 26097 H2 TIP3 8980 53.096 38.408 51.159 1.00 0.00 WT1 H ATOM 26098 OH2 TIP3 8981 70.695 41.105 27.980 1.00 0.00 WT1 O ATOM 26099 H1 TIP3 8981 70.178 40.427 28.416 1.00 0.00 WT1 H ATOM 26100 H2 TIP3 8981 70.046 41.721 27.641 1.00 0.00 WT1 H ATOM 26101 OH2 TIP3 8982 84.059 64.423 11.068 1.00 0.00 WT1 O ATOM 26102 H1 TIP3 8982 84.236 63.651 10.531 1.00 0.00 WT1 H ATOM 26103 H2 TIP3 8982 83.507 64.099 11.780 1.00 0.00 WT1 H ATOM 26104 OH2 TIP3 8983 28.552 54.011 -17.814 1.00 0.00 WT1 O ATOM 26105 H1 TIP3 8983 28.781 53.138 -17.494 1.00 0.00 WT1 H ATOM 26106 H2 TIP3 8983 27.612 54.087 -17.652 1.00 0.00 WT1 H ATOM 26107 OH2 TIP3 8984 28.502 72.981 64.790 1.00 0.00 WT1 O ATOM 26108 H1 TIP3 8984 28.956 73.547 65.415 1.00 0.00 WT1 H ATOM 26109 H2 TIP3 8984 27.576 73.193 64.903 1.00 0.00 WT1 H ATOM 26110 OH2 TIP3 8985 67.960 80.066 -9.967 1.00 0.00 WT1 O ATOM 26111 H1 TIP3 8985 68.138 79.383 -10.614 1.00 0.00 WT1 H ATOM 26112 H2 TIP3 8985 67.562 79.601 -9.231 1.00 0.00 WT1 H ATOM 26113 OH2 TIP3 8986 67.414 38.091 49.185 1.00 0.00 WT1 O ATOM 26114 H1 TIP3 8986 66.936 37.348 48.816 1.00 0.00 WT1 H ATOM 26115 H2 TIP3 8986 68.168 38.202 48.607 1.00 0.00 WT1 H ATOM 26116 OH2 TIP3 8987 65.530 27.365 58.069 1.00 0.00 WT1 O ATOM 26117 H1 TIP3 8987 64.659 27.734 57.921 1.00 0.00 WT1 H ATOM 26118 H2 TIP3 8987 65.688 27.494 59.005 1.00 0.00 WT1 H ATOM 26119 OH2 TIP3 8988 28.017 5.825 55.579 1.00 0.00 WT1 O ATOM 26120 H1 TIP3 8988 28.892 6.207 55.645 1.00 0.00 WT1 H ATOM 26121 H2 TIP3 8988 28.120 5.095 54.967 1.00 0.00 WT1 H ATOM 26122 OH2 TIP3 8989 70.423 94.425 18.840 1.00 0.00 WT1 O ATOM 26123 H1 TIP3 8989 70.292 95.288 18.447 1.00 0.00 WT1 H ATOM 26124 H2 TIP3 8989 69.857 93.842 18.335 1.00 0.00 WT1 H ATOM 26125 OH2 TIP3 8990 88.830 61.395 0.656 1.00 0.00 WT1 O ATOM 26126 H1 TIP3 8990 88.933 62.314 0.407 1.00 0.00 WT1 H ATOM 26127 H2 TIP3 8990 89.450 61.270 1.374 1.00 0.00 WT1 H ATOM 26128 OH2 TIP3 8991 37.247 1.284 15.976 1.00 0.00 WT1 O ATOM 26129 H1 TIP3 8991 36.598 1.426 15.286 1.00 0.00 WT1 H ATOM 26130 H2 TIP3 8991 36.737 1.273 16.786 1.00 0.00 WT1 H ATOM 26131 OH2 TIP3 8992 88.252 51.142 47.947 1.00 0.00 WT1 O ATOM 26132 H1 TIP3 8992 87.744 51.765 48.465 1.00 0.00 WT1 H ATOM 26133 H2 TIP3 8992 87.722 50.344 47.942 1.00 0.00 WT1 H ATOM 26134 OH2 TIP3 8993 65.902 70.469 53.342 1.00 0.00 WT1 O ATOM 26135 H1 TIP3 8993 66.485 69.719 53.453 1.00 0.00 WT1 H ATOM 26136 H2 TIP3 8993 65.746 70.515 52.399 1.00 0.00 WT1 H ATOM 26137 OH2 TIP3 8994 59.568 65.556 33.017 1.00 0.00 WT1 O ATOM 26138 H1 TIP3 8994 58.765 65.151 33.344 1.00 0.00 WT1 H ATOM 26139 H2 TIP3 8994 59.321 65.928 32.170 1.00 0.00 WT1 H ATOM 26140 OH2 TIP3 8995 81.607 12.635 -7.370 1.00 0.00 WT1 O ATOM 26141 H1 TIP3 8995 81.074 12.966 -8.093 1.00 0.00 WT1 H ATOM 26142 H2 TIP3 8995 81.608 13.345 -6.728 1.00 0.00 WT1 H ATOM 26143 OH2 TIP3 8996 29.578 32.236 51.935 1.00 0.00 WT1 O ATOM 26144 H1 TIP3 8996 29.026 32.342 52.711 1.00 0.00 WT1 H ATOM 26145 H2 TIP3 8996 28.979 31.929 51.255 1.00 0.00 WT1 H ATOM 26146 OH2 TIP3 8997 82.508 44.786 31.187 1.00 0.00 WT1 O ATOM 26147 H1 TIP3 8997 82.307 44.806 32.123 1.00 0.00 WT1 H ATOM 26148 H2 TIP3 8997 82.113 45.585 30.839 1.00 0.00 WT1 H ATOM 26149 OH2 TIP3 8998 20.611 7.604 52.110 1.00 0.00 WT1 O ATOM 26150 H1 TIP3 8998 20.530 6.953 52.807 1.00 0.00 WT1 H ATOM 26151 H2 TIP3 8998 20.190 7.197 51.352 1.00 0.00 WT1 H ATOM 26152 OH2 TIP3 8999 31.049 40.858 51.644 1.00 0.00 WT1 O ATOM 26153 H1 TIP3 8999 30.789 41.387 52.398 1.00 0.00 WT1 H ATOM 26154 H2 TIP3 8999 30.237 40.450 51.345 1.00 0.00 WT1 H ATOM 26155 OH2 TIP3 9000 59.975 60.321 29.613 1.00 0.00 WT1 O ATOM 26156 H1 TIP3 9000 59.520 59.644 29.111 1.00 0.00 WT1 H ATOM 26157 H2 TIP3 9000 59.296 60.964 29.819 1.00 0.00 WT1 H ATOM 26158 OH2 TIP3 9001 32.006 92.773 5.384 1.00 0.00 WT1 O ATOM 26159 H1 TIP3 9001 31.749 92.910 6.296 1.00 0.00 WT1 H ATOM 26160 H2 TIP3 9001 31.279 92.283 5.001 1.00 0.00 WT1 H ATOM 26161 OH2 TIP3 9002 64.252 38.612 28.538 1.00 0.00 WT1 O ATOM 26162 H1 TIP3 9002 64.360 38.668 27.589 1.00 0.00 WT1 H ATOM 26163 H2 TIP3 9002 64.658 39.411 28.874 1.00 0.00 WT1 H ATOM 26164 OH2 TIP3 9003 81.605 34.260 61.239 1.00 0.00 WT1 O ATOM 26165 H1 TIP3 9003 81.923 35.163 61.263 1.00 0.00 WT1 H ATOM 26166 H2 TIP3 9003 80.653 34.342 61.191 1.00 0.00 WT1 H ATOM 26167 OH2 TIP3 9004 60.836 67.866 33.843 1.00 0.00 WT1 O ATOM 26168 H1 TIP3 9004 60.653 66.988 33.509 1.00 0.00 WT1 H ATOM 26169 H2 TIP3 9004 59.972 68.258 33.970 1.00 0.00 WT1 H ATOM 26170 OH2 TIP3 9005 38.310 67.097 34.428 1.00 0.00 WT1 O ATOM 26171 H1 TIP3 9005 38.303 67.330 35.356 1.00 0.00 WT1 H ATOM 26172 H2 TIP3 9005 38.761 67.825 34.001 1.00 0.00 WT1 H ATOM 26173 OH2 TIP3 9006 87.026 33.574 20.079 1.00 0.00 WT1 O ATOM 26174 H1 TIP3 9006 87.617 33.569 20.832 1.00 0.00 WT1 H ATOM 26175 H2 TIP3 9006 87.295 32.817 19.558 1.00 0.00 WT1 H ATOM 26176 OH2 TIP3 9007 44.648 26.589 -9.610 1.00 0.00 WT1 O ATOM 26177 H1 TIP3 9007 45.437 26.664 -10.147 1.00 0.00 WT1 H ATOM 26178 H2 TIP3 9007 44.871 27.033 -8.792 1.00 0.00 WT1 H ATOM 26179 OH2 TIP3 9008 45.192 45.342 -7.436 1.00 0.00 WT1 O ATOM 26180 H1 TIP3 9008 44.834 46.197 -7.200 1.00 0.00 WT1 H ATOM 26181 H2 TIP3 9008 45.375 44.919 -6.597 1.00 0.00 WT1 H ATOM 26182 OH2 TIP3 9009 67.568 12.867 -13.922 1.00 0.00 WT1 O ATOM 26183 H1 TIP3 9009 66.815 13.374 -14.229 1.00 0.00 WT1 H ATOM 26184 H2 TIP3 9009 68.321 13.270 -14.355 1.00 0.00 WT1 H ATOM 26185 OH2 TIP3 9010 55.483 49.942 -16.034 1.00 0.00 WT1 O ATOM 26186 H1 TIP3 9010 56.332 50.184 -15.663 1.00 0.00 WT1 H ATOM 26187 H2 TIP3 9010 54.845 50.229 -15.380 1.00 0.00 WT1 H ATOM 26188 OH2 TIP3 9011 54.886 61.476 23.946 1.00 0.00 WT1 O ATOM 26189 H1 TIP3 9011 55.047 60.769 23.322 1.00 0.00 WT1 H ATOM 26190 H2 TIP3 9011 55.051 61.082 24.803 1.00 0.00 WT1 H ATOM 26191 OH2 TIP3 9012 32.241 22.934 48.491 1.00 0.00 WT1 O ATOM 26192 H1 TIP3 9012 32.806 22.711 49.231 1.00 0.00 WT1 H ATOM 26193 H2 TIP3 9012 32.831 22.954 47.737 1.00 0.00 WT1 H ATOM 26194 OH2 TIP3 9013 80.485 93.880 54.370 1.00 0.00 WT1 O ATOM 26195 H1 TIP3 9013 80.225 94.598 53.793 1.00 0.00 WT1 H ATOM 26196 H2 TIP3 9013 81.265 93.511 53.958 1.00 0.00 WT1 H ATOM 26197 OH2 TIP3 9014 37.837 89.948 42.031 1.00 0.00 WT1 O ATOM 26198 H1 TIP3 9014 37.832 90.776 42.510 1.00 0.00 WT1 H ATOM 26199 H2 TIP3 9014 38.334 89.350 42.590 1.00 0.00 WT1 H ATOM 26200 OH2 TIP3 9015 48.731 81.500 59.719 1.00 0.00 WT1 O ATOM 26201 H1 TIP3 9015 48.286 80.693 59.462 1.00 0.00 WT1 H ATOM 26202 H2 TIP3 9015 48.930 81.380 60.647 1.00 0.00 WT1 H ATOM 26203 OH2 TIP3 9016 62.405 7.434 41.076 1.00 0.00 WT1 O ATOM 26204 H1 TIP3 9016 61.707 7.963 41.462 1.00 0.00 WT1 H ATOM 26205 H2 TIP3 9016 62.068 7.183 40.216 1.00 0.00 WT1 H ATOM 26206 OH2 TIP3 9017 83.295 19.149 0.475 1.00 0.00 WT1 O ATOM 26207 H1 TIP3 9017 84.227 19.362 0.523 1.00 0.00 WT1 H ATOM 26208 H2 TIP3 9017 82.850 19.991 0.572 1.00 0.00 WT1 H ATOM 26209 OH2 TIP3 9018 63.080 45.782 37.537 1.00 0.00 WT1 O ATOM 26210 H1 TIP3 9018 63.514 45.697 36.689 1.00 0.00 WT1 H ATOM 26211 H2 TIP3 9018 62.702 46.662 37.527 1.00 0.00 WT1 H ATOM 26212 OH2 TIP3 9019 70.920 34.168 42.795 1.00 0.00 WT1 O ATOM 26213 H1 TIP3 9019 70.917 33.438 43.414 1.00 0.00 WT1 H ATOM 26214 H2 TIP3 9019 70.438 33.841 42.035 1.00 0.00 WT1 H ATOM 26215 OH2 TIP3 9020 24.313 58.039 12.918 1.00 0.00 WT1 O ATOM 26216 H1 TIP3 9020 24.921 57.891 13.641 1.00 0.00 WT1 H ATOM 26217 H2 TIP3 9020 23.802 58.804 13.186 1.00 0.00 WT1 H ATOM 26218 OH2 TIP3 9021 87.724 14.574 57.489 1.00 0.00 WT1 O ATOM 26219 H1 TIP3 9021 86.857 14.529 57.085 1.00 0.00 WT1 H ATOM 26220 H2 TIP3 9021 87.905 15.511 57.564 1.00 0.00 WT1 H ATOM 26221 OH2 TIP3 9022 27.433 21.967 30.809 1.00 0.00 WT1 O ATOM 26222 H1 TIP3 9022 26.874 22.722 30.627 1.00 0.00 WT1 H ATOM 26223 H2 TIP3 9022 26.831 21.223 30.834 1.00 0.00 WT1 H ATOM 26224 OH2 TIP3 9023 52.416 39.339 8.331 1.00 0.00 WT1 O ATOM 26225 H1 TIP3 9023 51.622 39.267 8.861 1.00 0.00 WT1 H ATOM 26226 H2 TIP3 9023 53.099 39.586 8.955 1.00 0.00 WT1 H ATOM 26227 OH2 TIP3 9024 63.794 8.564 54.154 1.00 0.00 WT1 O ATOM 26228 H1 TIP3 9024 64.286 9.012 53.466 1.00 0.00 WT1 H ATOM 26229 H2 TIP3 9024 64.232 7.718 54.250 1.00 0.00 WT1 H ATOM 26230 OH2 TIP3 9025 60.343 18.380 39.767 1.00 0.00 WT1 O ATOM 26231 H1 TIP3 9025 60.450 17.473 39.481 1.00 0.00 WT1 H ATOM 26232 H2 TIP3 9025 59.409 18.558 39.656 1.00 0.00 WT1 H ATOM 26233 OH2 TIP3 9026 48.474 29.251 66.459 1.00 0.00 WT1 O ATOM 26234 H1 TIP3 9026 48.507 29.807 65.680 1.00 0.00 WT1 H ATOM 26235 H2 TIP3 9026 47.942 29.744 67.083 1.00 0.00 WT1 H ATOM 26236 OH2 TIP3 9027 44.376 77.292 32.286 1.00 0.00 WT1 O ATOM 26237 H1 TIP3 9027 44.434 77.057 31.360 1.00 0.00 WT1 H ATOM 26238 H2 TIP3 9027 44.851 76.595 32.740 1.00 0.00 WT1 H ATOM 26239 OH2 TIP3 9028 50.261 25.429 -3.399 1.00 0.00 WT1 O ATOM 26240 H1 TIP3 9028 50.232 26.288 -2.977 1.00 0.00 WT1 H ATOM 26241 H2 TIP3 9028 49.611 25.483 -4.099 1.00 0.00 WT1 H ATOM 26242 OH2 TIP3 9029 50.171 7.176 7.229 1.00 0.00 WT1 O ATOM 26243 H1 TIP3 9029 50.526 6.487 7.791 1.00 0.00 WT1 H ATOM 26244 H2 TIP3 9029 49.888 6.718 6.438 1.00 0.00 WT1 H ATOM 26245 OH2 TIP3 9030 54.047 49.192 -5.735 1.00 0.00 WT1 O ATOM 26246 H1 TIP3 9030 53.224 49.677 -5.678 1.00 0.00 WT1 H ATOM 26247 H2 TIP3 9030 54.677 49.828 -6.075 1.00 0.00 WT1 H ATOM 26248 OH2 TIP3 9032 30.299 2.162 53.034 1.00 0.00 WT1 O ATOM 26249 H1 TIP3 9032 30.469 2.362 52.113 1.00 0.00 WT1 H ATOM 26250 H2 TIP3 9032 31.093 2.442 53.490 1.00 0.00 WT1 H ATOM 26251 OH2 TIP3 9033 66.780 0.335 40.737 1.00 0.00 WT1 O ATOM 26252 H1 TIP3 9033 67.362 1.094 40.737 1.00 0.00 WT1 H ATOM 26253 H2 TIP3 9033 67.207 -0.296 40.157 1.00 0.00 WT1 H ATOM 26254 OH2 TIP3 9034 73.618 62.846 56.981 1.00 0.00 WT1 O ATOM 26255 H1 TIP3 9034 73.552 62.881 56.026 1.00 0.00 WT1 H ATOM 26256 H2 TIP3 9034 73.244 63.676 57.277 1.00 0.00 WT1 H ATOM 26257 OH2 TIP3 9035 43.383 17.350 26.044 1.00 0.00 WT1 O ATOM 26258 H1 TIP3 9035 42.926 16.531 25.853 1.00 0.00 WT1 H ATOM 26259 H2 TIP3 9035 43.176 17.919 25.302 1.00 0.00 WT1 H ATOM 26260 OH2 TIP3 9036 45.394 19.990 58.074 1.00 0.00 WT1 O ATOM 26261 H1 TIP3 9036 46.035 19.486 58.575 1.00 0.00 WT1 H ATOM 26262 H2 TIP3 9036 45.904 20.691 57.668 1.00 0.00 WT1 H ATOM 26263 OH2 TIP3 9037 24.259 30.128 5.231 1.00 0.00 WT1 O ATOM 26264 H1 TIP3 9037 23.376 30.269 5.573 1.00 0.00 WT1 H ATOM 26265 H2 TIP3 9037 24.473 29.229 5.481 1.00 0.00 WT1 H ATOM 26266 OH2 TIP3 9038 25.594 94.641 48.392 1.00 0.00 WT1 O ATOM 26267 H1 TIP3 9038 25.692 94.530 49.338 1.00 0.00 WT1 H ATOM 26268 H2 TIP3 9038 25.878 93.805 48.022 1.00 0.00 WT1 H ATOM 26269 OH2 TIP3 9039 47.403 78.751 29.893 1.00 0.00 WT1 O ATOM 26270 H1 TIP3 9039 47.114 78.212 30.629 1.00 0.00 WT1 H ATOM 26271 H2 TIP3 9039 48.254 78.386 29.648 1.00 0.00 WT1 H ATOM 26272 OH2 TIP3 9040 83.052 61.426 -0.058 1.00 0.00 WT1 O ATOM 26273 H1 TIP3 9040 82.262 61.907 -0.306 1.00 0.00 WT1 H ATOM 26274 H2 TIP3 9040 83.734 62.096 -0.007 1.00 0.00 WT1 H ATOM 26275 OH2 TIP3 9041 32.545 7.670 29.350 1.00 0.00 WT1 O ATOM 26276 H1 TIP3 9041 32.934 7.351 28.535 1.00 0.00 WT1 H ATOM 26277 H2 TIP3 9041 31.768 8.154 29.071 1.00 0.00 WT1 H ATOM 26278 OH2 TIP3 9042 33.160 9.956 9.297 1.00 0.00 WT1 O ATOM 26279 H1 TIP3 9042 33.872 9.964 9.936 1.00 0.00 WT1 H ATOM 26280 H2 TIP3 9042 32.684 10.772 9.458 1.00 0.00 WT1 H ATOM 26281 OH2 TIP3 9043 52.209 0.827 -15.653 1.00 0.00 WT1 O ATOM 26282 H1 TIP3 9043 51.738 0.107 -15.234 1.00 0.00 WT1 H ATOM 26283 H2 TIP3 9043 52.433 1.418 -14.933 1.00 0.00 WT1 H ATOM 26284 OH2 TIP3 9044 50.687 0.016 10.366 1.00 0.00 WT1 O ATOM 26285 H1 TIP3 9044 50.630 0.578 11.139 1.00 0.00 WT1 H ATOM 26286 H2 TIP3 9044 50.369 0.563 9.648 1.00 0.00 WT1 H ATOM 26287 OH2 TIP3 9045 74.619 51.248 33.873 1.00 0.00 WT1 O ATOM 26288 H1 TIP3 9045 74.066 51.899 33.441 1.00 0.00 WT1 H ATOM 26289 H2 TIP3 9045 75.122 51.749 34.516 1.00 0.00 WT1 H ATOM 26290 OH2 TIP3 9046 69.496 17.994 37.955 1.00 0.00 WT1 O ATOM 26291 H1 TIP3 9046 69.164 18.776 37.515 1.00 0.00 WT1 H ATOM 26292 H2 TIP3 9046 68.710 17.523 38.232 1.00 0.00 WT1 H ATOM 26293 OH2 TIP3 9047 83.763 24.116 -16.114 1.00 0.00 WT1 O ATOM 26294 H1 TIP3 9047 84.641 23.831 -16.368 1.00 0.00 WT1 H ATOM 26295 H2 TIP3 9047 83.248 23.310 -16.085 1.00 0.00 WT1 H ATOM 26296 OH2 TIP3 9048 85.574 0.679 10.871 1.00 0.00 WT1 O ATOM 26297 H1 TIP3 9048 85.367 0.340 11.741 1.00 0.00 WT1 H ATOM 26298 H2 TIP3 9048 85.329 -0.027 10.273 1.00 0.00 WT1 H ATOM 26299 OH2 TIP3 9049 26.390 22.957 14.548 1.00 0.00 WT1 O ATOM 26300 H1 TIP3 9049 26.244 22.397 15.311 1.00 0.00 WT1 H ATOM 26301 H2 TIP3 9049 27.341 23.052 14.498 1.00 0.00 WT1 H ATOM 26302 OH2 TIP3 9050 19.983 29.975 40.216 1.00 0.00 WT1 O ATOM 26303 H1 TIP3 9050 20.547 29.764 39.472 1.00 0.00 WT1 H ATOM 26304 H2 TIP3 9050 20.552 30.451 40.821 1.00 0.00 WT1 H ATOM 26305 OH2 TIP3 9051 25.587 68.280 44.094 1.00 0.00 WT1 O ATOM 26306 H1 TIP3 9051 26.123 67.817 44.737 1.00 0.00 WT1 H ATOM 26307 H2 TIP3 9051 25.911 67.975 43.247 1.00 0.00 WT1 H ATOM 26308 OH2 TIP3 9052 74.880 71.708 22.636 1.00 0.00 WT1 O ATOM 26309 H1 TIP3 9052 74.015 71.846 22.251 1.00 0.00 WT1 H ATOM 26310 H2 TIP3 9052 75.367 71.226 21.967 1.00 0.00 WT1 H ATOM 26311 OH2 TIP3 9053 41.709 88.986 -14.271 1.00 0.00 WT1 O ATOM 26312 H1 TIP3 9053 42.512 88.468 -14.333 1.00 0.00 WT1 H ATOM 26313 H2 TIP3 9053 41.113 88.580 -14.900 1.00 0.00 WT1 H ATOM 26314 OH2 TIP3 9054 23.481 58.137 -9.456 1.00 0.00 WT1 O ATOM 26315 H1 TIP3 9054 22.816 57.475 -9.267 1.00 0.00 WT1 H ATOM 26316 H2 TIP3 9054 22.981 58.925 -9.667 1.00 0.00 WT1 H ATOM 26317 OH2 TIP3 9055 50.919 90.404 -18.287 1.00 0.00 WT1 O ATOM 26318 H1 TIP3 9055 50.574 91.226 -17.937 1.00 0.00 WT1 H ATOM 26319 H2 TIP3 9055 50.151 89.840 -18.374 1.00 0.00 WT1 H ATOM 26320 OH2 TIP3 9056 63.577 14.099 23.718 1.00 0.00 WT1 O ATOM 26321 H1 TIP3 9056 63.605 15.010 24.009 1.00 0.00 WT1 H ATOM 26322 H2 TIP3 9056 64.228 14.051 23.017 1.00 0.00 WT1 H ATOM 26323 OH2 TIP3 9057 48.199 65.592 -18.171 1.00 0.00 WT1 O ATOM 26324 H1 TIP3 9057 49.078 65.610 -17.792 1.00 0.00 WT1 H ATOM 26325 H2 TIP3 9057 47.744 66.325 -17.757 1.00 0.00 WT1 H ATOM 26326 OH2 TIP3 9058 27.276 49.277 60.392 1.00 0.00 WT1 O ATOM 26327 H1 TIP3 9058 28.047 49.519 59.879 1.00 0.00 WT1 H ATOM 26328 H2 TIP3 9058 27.408 49.702 61.240 1.00 0.00 WT1 H ATOM 26329 OH2 TIP3 9059 62.013 3.955 50.277 1.00 0.00 WT1 O ATOM 26330 H1 TIP3 9059 62.435 3.118 50.468 1.00 0.00 WT1 H ATOM 26331 H2 TIP3 9059 62.274 4.525 51.000 1.00 0.00 WT1 H ATOM 26332 OH2 TIP3 9060 64.116 41.472 45.057 1.00 0.00 WT1 O ATOM 26333 H1 TIP3 9060 63.790 41.270 45.934 1.00 0.00 WT1 H ATOM 26334 H2 TIP3 9060 63.514 42.136 44.723 1.00 0.00 WT1 H ATOM 26335 OH2 TIP3 9061 22.514 41.180 64.778 1.00 0.00 WT1 O ATOM 26336 H1 TIP3 9061 23.190 41.493 64.177 1.00 0.00 WT1 H ATOM 26337 H2 TIP3 9061 22.085 41.976 65.091 1.00 0.00 WT1 H ATOM 26338 OH2 TIP3 9062 31.273 54.551 40.655 1.00 0.00 WT1 O ATOM 26339 H1 TIP3 9062 31.968 54.597 41.312 1.00 0.00 WT1 H ATOM 26340 H2 TIP3 9062 31.544 55.167 39.975 1.00 0.00 WT1 H ATOM 26341 OH2 TIP3 9063 65.677 44.170 31.152 1.00 0.00 WT1 O ATOM 26342 H1 TIP3 9063 65.044 44.209 30.436 1.00 0.00 WT1 H ATOM 26343 H2 TIP3 9063 65.144 44.206 31.946 1.00 0.00 WT1 H ATOM 26344 OH2 TIP3 9066 30.636 87.611 15.816 1.00 0.00 WT1 O ATOM 26345 H1 TIP3 9066 31.181 88.253 15.361 1.00 0.00 WT1 H ATOM 26346 H2 TIP3 9066 30.957 86.763 15.510 1.00 0.00 WT1 H ATOM 26347 OH2 TIP3 9067 87.940 76.062 10.423 1.00 0.00 WT1 O ATOM 26348 H1 TIP3 9067 88.056 75.815 11.341 1.00 0.00 WT1 H ATOM 26349 H2 TIP3 9067 87.572 75.281 10.009 1.00 0.00 WT1 H ATOM 26350 OH2 TIP3 9070 27.637 34.782 63.459 1.00 0.00 WT1 O ATOM 26351 H1 TIP3 9070 27.523 35.393 64.187 1.00 0.00 WT1 H ATOM 26352 H2 TIP3 9070 26.842 34.248 63.466 1.00 0.00 WT1 H ATOM 26353 OH2 TIP3 9071 21.584 42.336 15.646 1.00 0.00 WT1 O ATOM 26354 H1 TIP3 9071 22.336 41.942 15.204 1.00 0.00 WT1 H ATOM 26355 H2 TIP3 9071 21.228 41.631 16.187 1.00 0.00 WT1 H ATOM 26356 OH2 TIP3 9072 55.845 29.110 17.090 1.00 0.00 WT1 O ATOM 26357 H1 TIP3 9072 56.054 29.864 17.641 1.00 0.00 WT1 H ATOM 26358 H2 TIP3 9072 54.952 29.274 16.788 1.00 0.00 WT1 H ATOM 26359 OH2 TIP3 9073 70.148 88.189 4.604 1.00 0.00 WT1 O ATOM 26360 H1 TIP3 9073 69.621 87.402 4.470 1.00 0.00 WT1 H ATOM 26361 H2 TIP3 9073 69.738 88.629 5.349 1.00 0.00 WT1 H ATOM 26362 OH2 TIP3 9074 67.666 26.588 -14.693 1.00 0.00 WT1 O ATOM 26363 H1 TIP3 9074 68.439 26.934 -14.246 1.00 0.00 WT1 H ATOM 26364 H2 TIP3 9074 66.942 26.768 -14.093 1.00 0.00 WT1 H ATOM 26365 OH2 TIP3 9075 29.339 79.821 8.251 1.00 0.00 WT1 O ATOM 26366 H1 TIP3 9075 29.031 79.751 9.154 1.00 0.00 WT1 H ATOM 26367 H2 TIP3 9075 30.056 79.191 8.192 1.00 0.00 WT1 H ATOM 26368 OH2 TIP3 9076 82.848 67.853 31.676 1.00 0.00 WT1 O ATOM 26369 H1 TIP3 9076 83.444 67.745 32.417 1.00 0.00 WT1 H ATOM 26370 H2 TIP3 9076 81.974 67.754 32.054 1.00 0.00 WT1 H ATOM 26371 OH2 TIP3 9078 77.280 40.618 53.526 1.00 0.00 WT1 O ATOM 26372 H1 TIP3 9078 77.012 41.533 53.435 1.00 0.00 WT1 H ATOM 26373 H2 TIP3 9078 76.593 40.121 53.082 1.00 0.00 WT1 H ATOM 26374 OH2 TIP3 9079 85.208 41.171 55.795 1.00 0.00 WT1 O ATOM 26375 H1 TIP3 9079 85.450 41.035 56.711 1.00 0.00 WT1 H ATOM 26376 H2 TIP3 9079 84.537 41.853 55.822 1.00 0.00 WT1 H ATOM 26377 OH2 TIP3 9080 43.239 91.627 4.446 1.00 0.00 WT1 O ATOM 26378 H1 TIP3 9080 43.702 91.563 3.611 1.00 0.00 WT1 H ATOM 26379 H2 TIP3 9080 43.927 91.795 5.091 1.00 0.00 WT1 H ATOM 26380 OH2 TIP3 9081 84.824 28.511 -11.329 1.00 0.00 WT1 O ATOM 26381 H1 TIP3 9081 85.158 28.813 -12.173 1.00 0.00 WT1 H ATOM 26382 H2 TIP3 9081 85.173 29.137 -10.694 1.00 0.00 WT1 H ATOM 26383 OH2 TIP3 9082 46.675 56.294 9.713 1.00 0.00 WT1 O ATOM 26384 H1 TIP3 9082 47.184 57.102 9.647 1.00 0.00 WT1 H ATOM 26385 H2 TIP3 9082 47.127 55.678 9.137 1.00 0.00 WT1 H ATOM 26386 OH2 TIP3 9083 56.183 62.601 39.968 1.00 0.00 WT1 O ATOM 26387 H1 TIP3 9083 55.348 62.877 39.590 1.00 0.00 WT1 H ATOM 26388 H2 TIP3 9083 56.142 61.645 39.968 1.00 0.00 WT1 H ATOM 26389 OH2 TIP3 9084 45.983 94.733 20.068 1.00 0.00 WT1 O ATOM 26390 H1 TIP3 9084 45.445 93.968 19.865 1.00 0.00 WT1 H ATOM 26391 H2 TIP3 9084 46.643 94.407 20.680 1.00 0.00 WT1 H ATOM 26392 OH2 TIP3 9085 90.262 70.824 0.314 1.00 0.00 WT1 O ATOM 26393 H1 TIP3 9085 90.818 70.072 0.109 1.00 0.00 WT1 H ATOM 26394 H2 TIP3 9085 90.751 71.580 -0.012 1.00 0.00 WT1 H ATOM 26395 OH2 TIP3 9086 57.064 45.510 -16.324 1.00 0.00 WT1 O ATOM 26396 H1 TIP3 9086 57.782 45.123 -15.822 1.00 0.00 WT1 H ATOM 26397 H2 TIP3 9086 57.324 46.422 -16.450 1.00 0.00 WT1 H ATOM 26398 OH2 TIP3 9087 82.909 31.750 47.012 1.00 0.00 WT1 O ATOM 26399 H1 TIP3 9087 83.273 30.983 47.454 1.00 0.00 WT1 H ATOM 26400 H2 TIP3 9087 81.990 31.768 47.279 1.00 0.00 WT1 H ATOM 26401 OH2 TIP3 9088 88.101 8.779 57.698 1.00 0.00 WT1 O ATOM 26402 H1 TIP3 9088 87.188 8.534 57.549 1.00 0.00 WT1 H ATOM 26403 H2 TIP3 9088 88.240 9.541 57.135 1.00 0.00 WT1 H ATOM 26404 OH2 TIP3 9089 71.051 33.008 30.916 1.00 0.00 WT1 O ATOM 26405 H1 TIP3 9089 71.203 33.570 31.677 1.00 0.00 WT1 H ATOM 26406 H2 TIP3 9089 71.829 32.452 30.870 1.00 0.00 WT1 H ATOM 26407 OH2 TIP3 9090 20.482 82.603 23.180 1.00 0.00 WT1 O ATOM 26408 H1 TIP3 9090 20.577 83.522 23.429 1.00 0.00 WT1 H ATOM 26409 H2 TIP3 9090 20.119 82.179 23.958 1.00 0.00 WT1 H ATOM 26410 OH2 TIP3 9091 87.103 30.379 43.600 1.00 0.00 WT1 O ATOM 26411 H1 TIP3 9091 86.697 30.572 44.445 1.00 0.00 WT1 H ATOM 26412 H2 TIP3 9091 87.916 30.884 43.603 1.00 0.00 WT1 H ATOM 26413 OH2 TIP3 9092 21.899 46.993 36.908 1.00 0.00 WT1 O ATOM 26414 H1 TIP3 9092 22.643 47.453 37.297 1.00 0.00 WT1 H ATOM 26415 H2 TIP3 9092 22.237 46.641 36.085 1.00 0.00 WT1 H ATOM 26416 OH2 TIP3 9093 48.372 69.708 -12.111 1.00 0.00 WT1 O ATOM 26417 H1 TIP3 9093 49.313 69.814 -11.974 1.00 0.00 WT1 H ATOM 26418 H2 TIP3 9093 48.207 68.781 -11.943 1.00 0.00 WT1 H ATOM 26419 OH2 TIP3 9094 80.992 1.616 -5.671 1.00 0.00 WT1 O ATOM 26420 H1 TIP3 9094 81.923 1.499 -5.482 1.00 0.00 WT1 H ATOM 26421 H2 TIP3 9094 80.629 1.991 -4.869 1.00 0.00 WT1 H ATOM 26422 OH2 TIP3 9095 24.910 60.365 36.749 1.00 0.00 WT1 O ATOM 26423 H1 TIP3 9095 25.603 61.014 36.876 1.00 0.00 WT1 H ATOM 26424 H2 TIP3 9095 25.237 59.799 36.050 1.00 0.00 WT1 H ATOM 26425 OH2 TIP3 9096 61.985 78.393 46.449 1.00 0.00 WT1 O ATOM 26426 H1 TIP3 9096 62.477 78.145 45.667 1.00 0.00 WT1 H ATOM 26427 H2 TIP3 9096 62.385 79.215 46.733 1.00 0.00 WT1 H ATOM 26428 OH2 TIP3 9097 76.547 64.926 22.553 1.00 0.00 WT1 O ATOM 26429 H1 TIP3 9097 76.637 64.606 23.450 1.00 0.00 WT1 H ATOM 26430 H2 TIP3 9097 75.636 65.214 22.491 1.00 0.00 WT1 H ATOM 26431 OH2 TIP3 9098 89.921 71.735 22.187 1.00 0.00 WT1 O ATOM 26432 H1 TIP3 9098 89.732 72.101 21.323 1.00 0.00 WT1 H ATOM 26433 H2 TIP3 9098 89.357 70.964 22.249 1.00 0.00 WT1 H ATOM 26434 OH2 TIP3 9099 43.757 41.960 57.397 1.00 0.00 WT1 O ATOM 26435 H1 TIP3 9099 43.482 42.458 56.627 1.00 0.00 WT1 H ATOM 26436 H2 TIP3 9099 43.334 42.402 58.133 1.00 0.00 WT1 H ATOM 26437 OH2 TIP3 9100 64.901 79.194 -0.329 1.00 0.00 WT1 O ATOM 26438 H1 TIP3 9100 65.082 78.977 0.585 1.00 0.00 WT1 H ATOM 26439 H2 TIP3 9100 65.193 78.426 -0.820 1.00 0.00 WT1 H ATOM 26440 OH2 TIP3 9101 54.277 23.015 58.850 1.00 0.00 WT1 O ATOM 26441 H1 TIP3 9101 55.083 23.513 58.983 1.00 0.00 WT1 H ATOM 26442 H2 TIP3 9101 54.159 22.999 57.900 1.00 0.00 WT1 H ATOM 26443 OH2 TIP3 9102 88.417 43.974 32.777 1.00 0.00 WT1 O ATOM 26444 H1 TIP3 9102 87.889 43.292 32.362 1.00 0.00 WT1 H ATOM 26445 H2 TIP3 9102 87.871 44.296 33.494 1.00 0.00 WT1 H ATOM 26446 OH2 TIP3 9103 74.183 55.584 21.220 1.00 0.00 WT1 O ATOM 26447 H1 TIP3 9103 73.279 55.273 21.271 1.00 0.00 WT1 H ATOM 26448 H2 TIP3 9103 74.203 56.358 21.783 1.00 0.00 WT1 H ATOM 26449 OH2 TIP3 9104 78.674 31.990 38.071 1.00 0.00 WT1 O ATOM 26450 H1 TIP3 9104 78.155 32.323 38.803 1.00 0.00 WT1 H ATOM 26451 H2 TIP3 9104 78.810 31.065 38.275 1.00 0.00 WT1 H ATOM 26452 OH2 TIP3 9105 42.653 32.739 2.288 1.00 0.00 WT1 O ATOM 26453 H1 TIP3 9105 42.099 33.362 1.817 1.00 0.00 WT1 H ATOM 26454 H2 TIP3 9105 42.364 32.803 3.199 1.00 0.00 WT1 H ATOM 26455 OH2 TIP3 9106 39.353 34.075 10.794 1.00 0.00 WT1 O ATOM 26456 H1 TIP3 9106 38.869 34.573 11.453 1.00 0.00 WT1 H ATOM 26457 H2 TIP3 9106 40.261 34.359 10.898 1.00 0.00 WT1 H ATOM 26458 OH2 TIP3 9107 34.042 79.271 19.244 1.00 0.00 WT1 O ATOM 26459 H1 TIP3 9107 33.678 78.527 19.723 1.00 0.00 WT1 H ATOM 26460 H2 TIP3 9107 33.583 79.264 18.404 1.00 0.00 WT1 H ATOM 26461 OH2 TIP3 9108 60.959 30.100 57.065 1.00 0.00 WT1 O ATOM 26462 H1 TIP3 9108 60.650 29.465 56.418 1.00 0.00 WT1 H ATOM 26463 H2 TIP3 9108 60.435 30.884 56.901 1.00 0.00 WT1 H ATOM 26464 OH2 TIP3 9109 64.538 9.989 23.721 1.00 0.00 WT1 O ATOM 26465 H1 TIP3 9109 65.145 10.380 24.350 1.00 0.00 WT1 H ATOM 26466 H2 TIP3 9109 64.981 9.194 23.424 1.00 0.00 WT1 H ATOM 26467 OH2 TIP3 9110 60.581 60.611 57.852 1.00 0.00 WT1 O ATOM 26468 H1 TIP3 9110 60.677 59.946 57.170 1.00 0.00 WT1 H ATOM 26469 H2 TIP3 9110 59.838 60.312 58.376 1.00 0.00 WT1 H ATOM 26470 OH2 TIP3 9111 76.403 36.364 65.606 1.00 0.00 WT1 O ATOM 26471 H1 TIP3 9111 76.387 35.783 66.366 1.00 0.00 WT1 H ATOM 26472 H2 TIP3 9111 75.569 36.832 65.644 1.00 0.00 WT1 H ATOM 26473 OH2 TIP3 9112 36.767 43.641 9.382 1.00 0.00 WT1 O ATOM 26474 H1 TIP3 9112 37.650 43.294 9.509 1.00 0.00 WT1 H ATOM 26475 H2 TIP3 9112 36.763 44.469 9.861 1.00 0.00 WT1 H ATOM 26476 OH2 TIP3 9113 59.697 83.694 45.263 1.00 0.00 WT1 O ATOM 26477 H1 TIP3 9113 59.844 83.341 44.386 1.00 0.00 WT1 H ATOM 26478 H2 TIP3 9113 58.774 83.512 45.443 1.00 0.00 WT1 H ATOM 26479 OH2 TIP3 9114 87.488 7.366 38.430 1.00 0.00 WT1 O ATOM 26480 H1 TIP3 9114 86.938 6.723 37.983 1.00 0.00 WT1 H ATOM 26481 H2 TIP3 9114 88.291 6.889 38.642 1.00 0.00 WT1 H ATOM 26482 OH2 TIP3 9115 40.768 16.484 46.679 1.00 0.00 WT1 O ATOM 26483 H1 TIP3 9115 40.458 15.781 46.108 1.00 0.00 WT1 H ATOM 26484 H2 TIP3 9115 40.780 17.261 46.120 1.00 0.00 WT1 H ATOM 26485 OH2 TIP3 9116 40.353 2.330 50.572 1.00 0.00 WT1 O ATOM 26486 H1 TIP3 9116 40.761 1.876 49.834 1.00 0.00 WT1 H ATOM 26487 H2 TIP3 9116 40.867 2.059 51.333 1.00 0.00 WT1 H ATOM 26488 OH2 TIP3 9117 39.471 92.955 7.095 1.00 0.00 WT1 O ATOM 26489 H1 TIP3 9117 39.223 92.101 7.449 1.00 0.00 WT1 H ATOM 26490 H2 TIP3 9117 40.375 93.082 7.385 1.00 0.00 WT1 H ATOM 26491 OH2 TIP3 9118 32.733 51.961 37.458 1.00 0.00 WT1 O ATOM 26492 H1 TIP3 9118 32.899 51.054 37.715 1.00 0.00 WT1 H ATOM 26493 H2 TIP3 9118 31.791 52.075 37.577 1.00 0.00 WT1 H ATOM 26494 OH2 TIP3 9119 28.623 37.710 65.644 1.00 0.00 WT1 O ATOM 26495 H1 TIP3 9119 28.058 37.031 66.012 1.00 0.00 WT1 H ATOM 26496 H2 TIP3 9119 29.437 37.643 66.143 1.00 0.00 WT1 H ATOM 26497 OH2 TIP3 9120 45.461 24.546 -0.816 1.00 0.00 WT1 O ATOM 26498 H1 TIP3 9120 44.667 24.434 -0.294 1.00 0.00 WT1 H ATOM 26499 H2 TIP3 9120 46.025 23.818 -0.553 1.00 0.00 WT1 H ATOM 26500 OH2 TIP3 9121 88.759 38.665 -10.006 1.00 0.00 WT1 O ATOM 26501 H1 TIP3 9121 88.019 39.243 -10.189 1.00 0.00 WT1 H ATOM 26502 H2 TIP3 9121 89.010 38.318 -10.863 1.00 0.00 WT1 H ATOM 26503 OH2 TIP3 9122 44.862 10.327 10.766 1.00 0.00 WT1 O ATOM 26504 H1 TIP3 9122 45.331 9.629 11.223 1.00 0.00 WT1 H ATOM 26505 H2 TIP3 9122 44.698 9.973 9.892 1.00 0.00 WT1 H ATOM 26506 OH2 TIP3 9123 90.624 46.819 27.959 1.00 0.00 WT1 O ATOM 26507 H1 TIP3 9123 89.769 46.461 28.198 1.00 0.00 WT1 H ATOM 26508 H2 TIP3 9123 90.584 47.736 28.231 1.00 0.00 WT1 H ATOM 26509 OH2 TIP3 9124 84.221 80.780 48.493 1.00 0.00 WT1 O ATOM 26510 H1 TIP3 9124 83.388 81.159 48.213 1.00 0.00 WT1 H ATOM 26511 H2 TIP3 9124 84.880 81.238 47.972 1.00 0.00 WT1 H ATOM 26512 OH2 TIP3 9125 43.889 55.880 16.410 1.00 0.00 WT1 O ATOM 26513 H1 TIP3 9125 44.018 56.657 16.955 1.00 0.00 WT1 H ATOM 26514 H2 TIP3 9125 44.572 55.273 16.694 1.00 0.00 WT1 H ATOM 26515 OH2 TIP3 9126 77.143 37.449 -2.704 1.00 0.00 WT1 O ATOM 26516 H1 TIP3 9126 76.400 37.184 -3.246 1.00 0.00 WT1 H ATOM 26517 H2 TIP3 9126 77.710 37.942 -3.299 1.00 0.00 WT1 H ATOM 26518 OH2 TIP3 9127 21.993 25.271 -12.757 1.00 0.00 WT1 O ATOM 26519 H1 TIP3 9127 22.734 24.715 -12.520 1.00 0.00 WT1 H ATOM 26520 H2 TIP3 9127 22.066 25.376 -13.706 1.00 0.00 WT1 H ATOM 26521 OH2 TIP3 9128 71.344 42.178 10.409 1.00 0.00 WT1 O ATOM 26522 H1 TIP3 9128 71.329 43.100 10.153 1.00 0.00 WT1 H ATOM 26523 H2 TIP3 9128 70.446 41.876 10.271 1.00 0.00 WT1 H ATOM 26524 OH2 TIP3 9129 70.065 0.198 18.107 1.00 0.00 WT1 O ATOM 26525 H1 TIP3 9129 69.837 0.778 17.380 1.00 0.00 WT1 H ATOM 26526 H2 TIP3 9129 70.427 0.781 18.774 1.00 0.00 WT1 H ATOM 26527 OH2 TIP3 9130 27.366 4.214 -6.547 1.00 0.00 WT1 O ATOM 26528 H1 TIP3 9130 26.450 3.937 -6.562 1.00 0.00 WT1 H ATOM 26529 H2 TIP3 9130 27.830 3.487 -6.132 1.00 0.00 WT1 H ATOM 26530 OH2 TIP3 9131 86.753 19.607 60.503 1.00 0.00 WT1 O ATOM 26531 H1 TIP3 9131 87.478 19.131 60.908 1.00 0.00 WT1 H ATOM 26532 H2 TIP3 9131 86.629 19.180 59.656 1.00 0.00 WT1 H ATOM 26533 OH2 TIP3 9132 21.072 39.609 19.895 1.00 0.00 WT1 O ATOM 26534 H1 TIP3 9132 21.610 39.906 20.629 1.00 0.00 WT1 H ATOM 26535 H2 TIP3 9132 21.092 38.654 19.954 1.00 0.00 WT1 H ATOM 26536 OH2 TIP3 9134 21.627 4.939 37.900 1.00 0.00 WT1 O ATOM 26537 H1 TIP3 9134 20.853 4.809 38.449 1.00 0.00 WT1 H ATOM 26538 H2 TIP3 9134 22.322 5.169 38.516 1.00 0.00 WT1 H ATOM 26539 OH2 TIP3 9135 49.268 36.227 41.915 1.00 0.00 WT1 O ATOM 26540 H1 TIP3 9135 49.457 36.702 41.106 1.00 0.00 WT1 H ATOM 26541 H2 TIP3 9135 48.929 36.894 42.511 1.00 0.00 WT1 H ATOM 26542 OH2 TIP3 9136 49.150 23.211 -11.778 1.00 0.00 WT1 O ATOM 26543 H1 TIP3 9136 49.686 23.165 -10.986 1.00 0.00 WT1 H ATOM 26544 H2 TIP3 9136 48.272 22.965 -11.487 1.00 0.00 WT1 H ATOM 26545 OH2 TIP3 9138 36.053 53.828 54.849 1.00 0.00 WT1 O ATOM 26546 H1 TIP3 9138 35.630 53.942 53.997 1.00 0.00 WT1 H ATOM 26547 H2 TIP3 9138 36.079 54.708 55.224 1.00 0.00 WT1 H ATOM 26548 OH2 TIP3 9139 60.420 34.624 55.992 1.00 0.00 WT1 O ATOM 26549 H1 TIP3 9139 59.820 35.370 55.990 1.00 0.00 WT1 H ATOM 26550 H2 TIP3 9139 59.936 33.928 56.434 1.00 0.00 WT1 H ATOM 26551 OH2 TIP3 9140 48.103 37.022 -6.015 1.00 0.00 WT1 O ATOM 26552 H1 TIP3 9140 48.887 37.567 -5.951 1.00 0.00 WT1 H ATOM 26553 H2 TIP3 9140 47.488 37.411 -5.393 1.00 0.00 WT1 H ATOM 26554 OH2 TIP3 9141 89.981 36.352 31.612 1.00 0.00 WT1 O ATOM 26555 H1 TIP3 9141 89.253 35.733 31.554 1.00 0.00 WT1 H ATOM 26556 H2 TIP3 9141 90.086 36.684 30.720 1.00 0.00 WT1 H ATOM 26557 OH2 TIP3 9142 49.196 13.688 51.426 1.00 0.00 WT1 O ATOM 26558 H1 TIP3 9142 49.387 13.221 50.612 1.00 0.00 WT1 H ATOM 26559 H2 TIP3 9142 49.822 14.412 51.439 1.00 0.00 WT1 H ATOM 26560 OH2 TIP3 9144 55.272 58.339 63.423 1.00 0.00 WT1 O ATOM 26561 H1 TIP3 9144 54.999 57.682 62.782 1.00 0.00 WT1 H ATOM 26562 H2 TIP3 9144 55.506 57.832 64.201 1.00 0.00 WT1 H ATOM 26563 OH2 TIP3 9145 66.191 22.079 46.512 1.00 0.00 WT1 O ATOM 26564 H1 TIP3 9145 66.001 22.749 47.169 1.00 0.00 WT1 H ATOM 26565 H2 TIP3 9145 66.667 22.544 45.824 1.00 0.00 WT1 H ATOM 26566 OH2 TIP3 9146 64.004 40.536 -10.364 1.00 0.00 WT1 O ATOM 26567 H1 TIP3 9146 64.055 41.135 -11.109 1.00 0.00 WT1 H ATOM 26568 H2 TIP3 9146 63.079 40.297 -10.312 1.00 0.00 WT1 H ATOM 26569 OH2 TIP3 9147 40.385 76.076 32.176 1.00 0.00 WT1 O ATOM 26570 H1 TIP3 9147 40.594 76.376 33.061 1.00 0.00 WT1 H ATOM 26571 H2 TIP3 9147 40.430 75.121 32.230 1.00 0.00 WT1 H ATOM 26572 OH2 TIP3 9148 74.003 62.581 31.745 1.00 0.00 WT1 O ATOM 26573 H1 TIP3 9148 73.243 62.658 31.168 1.00 0.00 WT1 H ATOM 26574 H2 TIP3 9148 74.111 61.639 31.877 1.00 0.00 WT1 H ATOM 26575 OH2 TIP3 9149 32.188 9.838 52.084 1.00 0.00 WT1 O ATOM 26576 H1 TIP3 9149 31.371 9.506 52.456 1.00 0.00 WT1 H ATOM 26577 H2 TIP3 9149 32.866 9.267 52.445 1.00 0.00 WT1 H ATOM 26578 OH2 TIP3 9150 50.581 79.427 42.813 1.00 0.00 WT1 O ATOM 26579 H1 TIP3 9150 51.019 79.140 43.614 1.00 0.00 WT1 H ATOM 26580 H2 TIP3 9150 50.459 78.624 42.306 1.00 0.00 WT1 H ATOM 26581 OH2 TIP3 9152 21.181 34.299 36.643 1.00 0.00 WT1 O ATOM 26582 H1 TIP3 9152 21.055 35.247 36.601 1.00 0.00 WT1 H ATOM 26583 H2 TIP3 9152 20.638 34.016 37.379 1.00 0.00 WT1 H ATOM 26584 OH2 TIP3 9153 73.133 51.598 15.571 1.00 0.00 WT1 O ATOM 26585 H1 TIP3 9153 72.484 51.035 15.994 1.00 0.00 WT1 H ATOM 26586 H2 TIP3 9153 73.064 51.387 14.640 1.00 0.00 WT1 H ATOM 26587 OH2 TIP3 9154 88.923 19.928 35.968 1.00 0.00 WT1 O ATOM 26588 H1 TIP3 9154 89.641 20.499 35.693 1.00 0.00 WT1 H ATOM 26589 H2 TIP3 9154 88.205 20.526 36.174 1.00 0.00 WT1 H ATOM 26590 OH2 TIP3 9155 74.057 41.735 22.619 1.00 0.00 WT1 O ATOM 26591 H1 TIP3 9155 73.671 42.325 23.267 1.00 0.00 WT1 H ATOM 26592 H2 TIP3 9155 73.488 41.814 21.853 1.00 0.00 WT1 H ATOM 26593 OH2 TIP3 9156 52.620 96.536 -3.288 1.00 0.00 WT1 O ATOM 26594 H1 TIP3 9156 52.337 95.672 -2.988 1.00 0.00 WT1 H ATOM 26595 H2 TIP3 9156 52.580 96.483 -4.243 1.00 0.00 WT1 H ATOM 26596 OH2 TIP3 9157 87.600 29.986 16.141 1.00 0.00 WT1 O ATOM 26597 H1 TIP3 9157 87.822 29.767 15.236 1.00 0.00 WT1 H ATOM 26598 H2 TIP3 9157 87.026 29.275 16.426 1.00 0.00 WT1 H ATOM 26599 OH2 TIP3 9158 90.410 75.181 61.354 1.00 0.00 WT1 O ATOM 26600 H1 TIP3 9158 91.184 75.740 61.285 1.00 0.00 WT1 H ATOM 26601 H2 TIP3 9158 89.676 75.762 61.153 1.00 0.00 WT1 H ATOM 26602 OH2 TIP3 9159 69.985 63.617 46.192 1.00 0.00 WT1 O ATOM 26603 H1 TIP3 9159 69.155 63.934 45.837 1.00 0.00 WT1 H ATOM 26604 H2 TIP3 9159 69.748 62.845 46.705 1.00 0.00 WT1 H ATOM 26605 OH2 TIP3 9160 51.801 41.982 11.378 1.00 0.00 WT1 O ATOM 26606 H1 TIP3 9160 51.498 42.843 11.667 1.00 0.00 WT1 H ATOM 26607 H2 TIP3 9160 51.051 41.404 11.519 1.00 0.00 WT1 H ATOM 26608 OH2 TIP3 9161 22.703 44.742 50.546 1.00 0.00 WT1 O ATOM 26609 H1 TIP3 9161 23.349 44.088 50.278 1.00 0.00 WT1 H ATOM 26610 H2 TIP3 9161 21.904 44.239 50.704 1.00 0.00 WT1 H ATOM 26611 OH2 TIP3 9162 68.014 27.497 41.043 1.00 0.00 WT1 O ATOM 26612 H1 TIP3 9162 68.033 26.566 41.264 1.00 0.00 WT1 H ATOM 26613 H2 TIP3 9162 67.140 27.787 41.301 1.00 0.00 WT1 H ATOM 26614 OH2 TIP3 9163 34.506 21.391 59.643 1.00 0.00 WT1 O ATOM 26615 H1 TIP3 9163 34.081 22.214 59.401 1.00 0.00 WT1 H ATOM 26616 H2 TIP3 9163 34.922 21.090 58.835 1.00 0.00 WT1 H ATOM 26617 OH2 TIP3 9164 27.759 76.116 38.666 1.00 0.00 WT1 O ATOM 26618 H1 TIP3 9164 27.741 75.386 38.048 1.00 0.00 WT1 H ATOM 26619 H2 TIP3 9164 28.670 76.162 38.956 1.00 0.00 WT1 H ATOM 26620 OH2 TIP3 9165 35.452 51.950 39.560 1.00 0.00 WT1 O ATOM 26621 H1 TIP3 9165 35.352 52.517 38.796 1.00 0.00 WT1 H ATOM 26622 H2 TIP3 9165 35.359 52.539 40.309 1.00 0.00 WT1 H ATOM 26623 OH2 TIP3 9166 72.142 89.419 16.456 1.00 0.00 WT1 O ATOM 26624 H1 TIP3 9166 71.487 89.042 17.043 1.00 0.00 WT1 H ATOM 26625 H2 TIP3 9166 72.980 89.234 16.881 1.00 0.00 WT1 H ATOM 26626 OH2 TIP3 9167 81.861 5.846 48.153 1.00 0.00 WT1 O ATOM 26627 H1 TIP3 9167 81.834 4.967 47.775 1.00 0.00 WT1 H ATOM 26628 H2 TIP3 9167 81.093 5.885 48.724 1.00 0.00 WT1 H ATOM 26629 OH2 TIP3 9168 27.024 40.441 40.419 1.00 0.00 WT1 O ATOM 26630 H1 TIP3 9168 26.999 40.293 39.474 1.00 0.00 WT1 H ATOM 26631 H2 TIP3 9168 27.944 40.323 40.656 1.00 0.00 WT1 H ATOM 26632 OH2 TIP3 9169 64.125 37.570 22.218 1.00 0.00 WT1 O ATOM 26633 H1 TIP3 9169 63.721 38.425 22.368 1.00 0.00 WT1 H ATOM 26634 H2 TIP3 9169 63.567 36.955 22.693 1.00 0.00 WT1 H ATOM 26635 OH2 TIP3 9170 87.164 19.929 -9.169 1.00 0.00 WT1 O ATOM 26636 H1 TIP3 9170 87.448 20.639 -9.745 1.00 0.00 WT1 H ATOM 26637 H2 TIP3 9170 87.911 19.332 -9.137 1.00 0.00 WT1 H ATOM 26638 OH2 TIP3 9171 59.215 87.810 14.418 1.00 0.00 WT1 O ATOM 26639 H1 TIP3 9171 59.488 87.653 15.322 1.00 0.00 WT1 H ATOM 26640 H2 TIP3 9171 59.630 87.108 13.916 1.00 0.00 WT1 H ATOM 26641 OH2 TIP3 9172 42.638 80.537 29.999 1.00 0.00 WT1 O ATOM 26642 H1 TIP3 9172 43.154 81.209 29.554 1.00 0.00 WT1 H ATOM 26643 H2 TIP3 9172 42.758 79.751 29.468 1.00 0.00 WT1 H ATOM 26644 OH2 TIP3 9173 48.527 38.955 43.222 1.00 0.00 WT1 O ATOM 26645 H1 TIP3 9173 48.134 38.606 44.022 1.00 0.00 WT1 H ATOM 26646 H2 TIP3 9173 47.935 39.657 42.950 1.00 0.00 WT1 H ATOM 26647 OH2 TIP3 9174 34.522 71.634 39.692 1.00 0.00 WT1 O ATOM 26648 H1 TIP3 9174 35.302 71.417 39.181 1.00 0.00 WT1 H ATOM 26649 H2 TIP3 9174 33.806 71.195 39.233 1.00 0.00 WT1 H ATOM 26650 OH2 TIP3 9175 70.133 22.248 50.133 1.00 0.00 WT1 O ATOM 26651 H1 TIP3 9175 70.330 21.705 50.897 1.00 0.00 WT1 H ATOM 26652 H2 TIP3 9175 69.197 22.437 50.209 1.00 0.00 WT1 H ATOM 26653 OH2 TIP3 9176 31.414 48.241 32.382 1.00 0.00 WT1 O ATOM 26654 H1 TIP3 9176 30.530 48.203 32.015 1.00 0.00 WT1 H ATOM 26655 H2 TIP3 9176 31.723 47.335 32.358 1.00 0.00 WT1 H ATOM 26656 OH2 TIP3 9177 34.897 88.771 -0.642 1.00 0.00 WT1 O ATOM 26657 H1 TIP3 9177 34.723 87.887 -0.319 1.00 0.00 WT1 H ATOM 26658 H2 TIP3 9177 35.516 89.139 -0.011 1.00 0.00 WT1 H ATOM 26659 OH2 TIP3 9178 68.849 47.937 -13.992 1.00 0.00 WT1 O ATOM 26660 H1 TIP3 9178 69.488 47.228 -13.915 1.00 0.00 WT1 H ATOM 26661 H2 TIP3 9178 68.037 47.567 -13.645 1.00 0.00 WT1 H ATOM 26662 OH2 TIP3 9179 29.189 37.622 -18.632 1.00 0.00 WT1 O ATOM 26663 H1 TIP3 9179 30.063 37.249 -18.744 1.00 0.00 WT1 H ATOM 26664 H2 TIP3 9179 29.214 38.037 -17.770 1.00 0.00 WT1 H ATOM 26665 OH2 TIP3 9180 37.371 79.983 6.469 1.00 0.00 WT1 O ATOM 26666 H1 TIP3 9180 37.117 80.781 6.005 1.00 0.00 WT1 H ATOM 26667 H2 TIP3 9180 36.552 79.645 6.831 1.00 0.00 WT1 H ATOM 26668 OH2 TIP3 9181 55.604 45.199 -13.633 1.00 0.00 WT1 O ATOM 26669 H1 TIP3 9181 56.001 44.407 -13.269 1.00 0.00 WT1 H ATOM 26670 H2 TIP3 9181 55.651 45.077 -14.581 1.00 0.00 WT1 H ATOM 26671 OH2 TIP3 9182 61.216 17.101 43.195 1.00 0.00 WT1 O ATOM 26672 H1 TIP3 9182 60.532 17.078 42.526 1.00 0.00 WT1 H ATOM 26673 H2 TIP3 9182 62.004 16.797 42.744 1.00 0.00 WT1 H ATOM 26674 OH2 TIP3 9183 87.058 72.705 0.734 1.00 0.00 WT1 O ATOM 26675 H1 TIP3 9183 87.444 71.937 0.312 1.00 0.00 WT1 H ATOM 26676 H2 TIP3 9183 86.336 72.957 0.159 1.00 0.00 WT1 H ATOM 26677 OH2 TIP3 9184 47.539 22.211 52.466 1.00 0.00 WT1 O ATOM 26678 H1 TIP3 9184 47.733 22.090 53.395 1.00 0.00 WT1 H ATOM 26679 H2 TIP3 9184 47.213 21.360 52.175 1.00 0.00 WT1 H ATOM 26680 OH2 TIP3 9185 31.418 60.357 -5.465 1.00 0.00 WT1 O ATOM 26681 H1 TIP3 9185 31.809 61.015 -4.889 1.00 0.00 WT1 H ATOM 26682 H2 TIP3 9185 31.943 59.570 -5.322 1.00 0.00 WT1 H ATOM 26683 OH2 TIP3 9186 79.974 72.674 15.454 1.00 0.00 WT1 O ATOM 26684 H1 TIP3 9186 80.275 71.985 16.046 1.00 0.00 WT1 H ATOM 26685 H2 TIP3 9186 79.111 72.381 15.162 1.00 0.00 WT1 H ATOM 26686 OH2 TIP3 9187 32.392 46.985 58.981 1.00 0.00 WT1 O ATOM 26687 H1 TIP3 9187 32.050 47.193 59.850 1.00 0.00 WT1 H ATOM 26688 H2 TIP3 9187 31.687 47.228 58.380 1.00 0.00 WT1 H ATOM 26689 OH2 TIP3 9188 20.940 45.814 18.921 1.00 0.00 WT1 O ATOM 26690 H1 TIP3 9188 21.189 46.336 19.684 1.00 0.00 WT1 H ATOM 26691 H2 TIP3 9188 21.214 46.340 18.170 1.00 0.00 WT1 H ATOM 26692 OH2 TIP3 9189 35.658 51.620 15.191 1.00 0.00 WT1 O ATOM 26693 H1 TIP3 9189 36.186 50.921 14.806 1.00 0.00 WT1 H ATOM 26694 H2 TIP3 9189 36.149 51.895 15.965 1.00 0.00 WT1 H ATOM 26695 OH2 TIP3 9190 77.255 37.144 57.468 1.00 0.00 WT1 O ATOM 26696 H1 TIP3 9190 77.273 36.192 57.369 1.00 0.00 WT1 H ATOM 26697 H2 TIP3 9190 78.174 37.407 57.426 1.00 0.00 WT1 H ATOM 26698 OH2 TIP3 9191 64.049 59.171 44.328 1.00 0.00 WT1 O ATOM 26699 H1 TIP3 9191 63.637 59.398 43.495 1.00 0.00 WT1 H ATOM 26700 H2 TIP3 9191 64.494 59.973 44.602 1.00 0.00 WT1 H ATOM 26701 OH2 TIP3 9192 44.153 54.176 30.799 1.00 0.00 WT1 O ATOM 26702 H1 TIP3 9192 43.825 54.805 31.442 1.00 0.00 WT1 H ATOM 26703 H2 TIP3 9192 44.569 54.715 30.127 1.00 0.00 WT1 H ATOM 26704 OH2 TIP3 9193 82.115 66.581 13.233 1.00 0.00 WT1 O ATOM 26705 H1 TIP3 9193 81.680 65.792 12.911 1.00 0.00 WT1 H ATOM 26706 H2 TIP3 9193 82.686 66.270 13.936 1.00 0.00 WT1 H ATOM 26707 OH2 TIP3 9194 89.398 88.974 13.985 1.00 0.00 WT1 O ATOM 26708 H1 TIP3 9194 90.073 88.847 14.652 1.00 0.00 WT1 H ATOM 26709 H2 TIP3 9194 88.935 89.765 14.260 1.00 0.00 WT1 H ATOM 26710 OH2 TIP3 9195 33.849 82.304 6.404 1.00 0.00 WT1 O ATOM 26711 H1 TIP3 9195 34.626 82.720 6.033 1.00 0.00 WT1 H ATOM 26712 H2 TIP3 9195 34.082 81.378 6.472 1.00 0.00 WT1 H ATOM 26713 OH2 TIP3 9196 70.566 57.701 14.772 1.00 0.00 WT1 O ATOM 26714 H1 TIP3 9196 70.477 58.266 15.540 1.00 0.00 WT1 H ATOM 26715 H2 TIP3 9196 69.678 57.389 14.600 1.00 0.00 WT1 H ATOM 26716 OH2 TIP3 9197 24.004 61.436 48.700 1.00 0.00 WT1 O ATOM 26717 H1 TIP3 9197 24.616 62.030 48.264 1.00 0.00 WT1 H ATOM 26718 H2 TIP3 9197 23.309 62.006 49.028 1.00 0.00 WT1 H ATOM 26719 OH2 TIP3 9198 26.794 80.165 21.070 1.00 0.00 WT1 O ATOM 26720 H1 TIP3 9198 26.640 81.109 21.122 1.00 0.00 WT1 H ATOM 26721 H2 TIP3 9198 25.976 79.771 21.375 1.00 0.00 WT1 H ATOM 26722 OH2 TIP3 9199 38.768 53.570 39.497 1.00 0.00 WT1 O ATOM 26723 H1 TIP3 9199 38.351 53.220 38.710 1.00 0.00 WT1 H ATOM 26724 H2 TIP3 9199 38.991 54.473 39.268 1.00 0.00 WT1 H ATOM 26725 OH2 TIP3 9200 27.437 23.256 48.829 1.00 0.00 WT1 O ATOM 26726 H1 TIP3 9200 26.812 23.749 49.360 1.00 0.00 WT1 H ATOM 26727 H2 TIP3 9200 27.883 23.921 48.304 1.00 0.00 WT1 H ATOM 26728 OH2 TIP3 9201 29.053 78.375 3.525 1.00 0.00 WT1 O ATOM 26729 H1 TIP3 9201 29.402 77.554 3.871 1.00 0.00 WT1 H ATOM 26730 H2 TIP3 9201 28.247 78.122 3.075 1.00 0.00 WT1 H ATOM 26731 OH2 TIP3 9202 62.621 85.851 17.315 1.00 0.00 WT1 O ATOM 26732 H1 TIP3 9202 61.821 85.616 16.845 1.00 0.00 WT1 H ATOM 26733 H2 TIP3 9202 62.338 86.493 17.966 1.00 0.00 WT1 H ATOM 26734 OH2 TIP3 9203 48.085 53.822 53.251 1.00 0.00 WT1 O ATOM 26735 H1 TIP3 9203 47.731 53.386 54.027 1.00 0.00 WT1 H ATOM 26736 H2 TIP3 9203 47.412 54.457 53.005 1.00 0.00 WT1 H ATOM 26737 OH2 TIP3 9204 64.665 38.525 1.949 1.00 0.00 WT1 O ATOM 26738 H1 TIP3 9204 64.454 37.654 2.285 1.00 0.00 WT1 H ATOM 26739 H2 TIP3 9204 63.833 38.862 1.616 1.00 0.00 WT1 H ATOM 26740 OH2 TIP3 9205 41.232 69.113 65.036 1.00 0.00 WT1 O ATOM 26741 H1 TIP3 9205 41.739 68.339 65.281 1.00 0.00 WT1 H ATOM 26742 H2 TIP3 9205 40.321 68.858 65.181 1.00 0.00 WT1 H ATOM 26743 OH2 TIP3 9206 35.537 59.505 2.052 1.00 0.00 WT1 O ATOM 26744 H1 TIP3 9206 35.090 60.026 2.718 1.00 0.00 WT1 H ATOM 26745 H2 TIP3 9206 35.650 58.645 2.457 1.00 0.00 WT1 H ATOM 26746 OH2 TIP3 9207 78.286 6.519 47.257 1.00 0.00 WT1 O ATOM 26747 H1 TIP3 9207 78.517 7.337 46.815 1.00 0.00 WT1 H ATOM 26748 H2 TIP3 9207 78.687 6.592 48.123 1.00 0.00 WT1 H ATOM 26749 OH2 TIP3 9208 60.105 48.767 15.371 1.00 0.00 WT1 O ATOM 26750 H1 TIP3 9208 60.648 48.719 16.158 1.00 0.00 WT1 H ATOM 26751 H2 TIP3 9208 59.207 48.693 15.694 1.00 0.00 WT1 H ATOM 26752 OH2 TIP3 9209 47.482 28.754 -16.212 1.00 0.00 WT1 O ATOM 26753 H1 TIP3 9209 47.442 27.962 -16.749 1.00 0.00 WT1 H ATOM 26754 H2 TIP3 9209 47.256 28.457 -15.330 1.00 0.00 WT1 H ATOM 26755 OH2 TIP3 9210 23.166 0.975 64.258 1.00 0.00 WT1 O ATOM 26756 H1 TIP3 9210 22.477 0.413 64.613 1.00 0.00 WT1 H ATOM 26757 H2 TIP3 9210 23.929 0.796 64.808 1.00 0.00 WT1 H ATOM 26758 OH2 TIP3 9211 25.492 77.513 -13.776 1.00 0.00 WT1 O ATOM 26759 H1 TIP3 9211 26.253 76.932 -13.762 1.00 0.00 WT1 H ATOM 26760 H2 TIP3 9211 25.862 78.392 -13.853 1.00 0.00 WT1 H ATOM 26761 OH2 TIP3 9212 42.648 20.975 28.528 1.00 0.00 WT1 O ATOM 26762 H1 TIP3 9212 42.242 20.914 27.663 1.00 0.00 WT1 H ATOM 26763 H2 TIP3 9212 42.399 20.162 28.968 1.00 0.00 WT1 H ATOM 26764 OH2 TIP3 9213 47.334 29.479 28.976 1.00 0.00 WT1 O ATOM 26765 H1 TIP3 9213 47.307 29.710 28.048 1.00 0.00 WT1 H ATOM 26766 H2 TIP3 9213 46.437 29.220 29.185 1.00 0.00 WT1 H ATOM 26767 OH2 TIP3 9214 25.488 57.356 54.897 1.00 0.00 WT1 O ATOM 26768 H1 TIP3 9214 25.167 57.559 54.019 1.00 0.00 WT1 H ATOM 26769 H2 TIP3 9214 26.090 58.071 55.104 1.00 0.00 WT1 H ATOM 26770 OH2 TIP3 9215 82.958 56.273 -10.740 1.00 0.00 WT1 O ATOM 26771 H1 TIP3 9215 83.340 55.904 -9.943 1.00 0.00 WT1 H ATOM 26772 H2 TIP3 9215 83.357 55.772 -11.451 1.00 0.00 WT1 H ATOM 26773 OH2 TIP3 9216 57.182 58.295 24.215 1.00 0.00 WT1 O ATOM 26774 H1 TIP3 9216 56.586 58.539 23.507 1.00 0.00 WT1 H ATOM 26775 H2 TIP3 9216 56.617 58.197 24.982 1.00 0.00 WT1 H ATOM 26776 OH2 TIP3 9217 28.597 56.605 53.705 1.00 0.00 WT1 O ATOM 26777 H1 TIP3 9217 29.220 57.258 54.024 1.00 0.00 WT1 H ATOM 26778 H2 TIP3 9217 27.801 57.103 53.521 1.00 0.00 WT1 H ATOM 26779 OH2 TIP3 9218 84.575 54.867 1.430 1.00 0.00 WT1 O ATOM 26780 H1 TIP3 9218 85.342 55.270 1.838 1.00 0.00 WT1 H ATOM 26781 H2 TIP3 9218 84.058 55.606 1.109 1.00 0.00 WT1 H ATOM 26782 OH2 TIP3 9219 30.843 72.759 2.125 1.00 0.00 WT1 O ATOM 26783 H1 TIP3 9219 30.789 72.754 3.081 1.00 0.00 WT1 H ATOM 26784 H2 TIP3 9219 31.779 72.692 1.937 1.00 0.00 WT1 H ATOM 26785 OH2 TIP3 9220 88.093 89.704 -6.600 1.00 0.00 WT1 O ATOM 26786 H1 TIP3 9220 87.726 88.895 -6.242 1.00 0.00 WT1 H ATOM 26787 H2 TIP3 9220 88.756 89.410 -7.224 1.00 0.00 WT1 H ATOM 26788 OH2 TIP3 9222 78.965 72.611 -6.097 1.00 0.00 WT1 O ATOM 26789 H1 TIP3 9222 78.852 73.548 -5.934 1.00 0.00 WT1 H ATOM 26790 H2 TIP3 9222 78.278 72.393 -6.728 1.00 0.00 WT1 H ATOM 26791 OH2 TIP3 9223 50.223 22.427 67.159 1.00 0.00 WT1 O ATOM 26792 H1 TIP3 9223 49.344 22.756 67.343 1.00 0.00 WT1 H ATOM 26793 H2 TIP3 9223 50.608 23.084 66.577 1.00 0.00 WT1 H ATOM 26794 OH2 TIP3 9224 83.139 23.487 48.204 1.00 0.00 WT1 O ATOM 26795 H1 TIP3 9224 82.449 23.670 48.842 1.00 0.00 WT1 H ATOM 26796 H2 TIP3 9224 83.430 24.351 47.912 1.00 0.00 WT1 H ATOM 26797 OH2 TIP3 9225 57.390 83.591 40.535 1.00 0.00 WT1 O ATOM 26798 H1 TIP3 9225 56.460 83.370 40.490 1.00 0.00 WT1 H ATOM 26799 H2 TIP3 9225 57.840 82.789 40.268 1.00 0.00 WT1 H ATOM 26800 OH2 TIP3 9226 78.797 81.455 -15.491 1.00 0.00 WT1 O ATOM 26801 H1 TIP3 9226 77.962 81.095 -15.193 1.00 0.00 WT1 H ATOM 26802 H2 TIP3 9226 79.238 81.734 -14.689 1.00 0.00 WT1 H ATOM 26803 OH2 TIP3 9227 22.331 68.534 58.990 1.00 0.00 WT1 O ATOM 26804 H1 TIP3 9227 22.504 67.785 59.561 1.00 0.00 WT1 H ATOM 26805 H2 TIP3 9227 23.013 69.168 59.213 1.00 0.00 WT1 H ATOM 26806 OH2 TIP3 9228 42.465 59.678 -4.527 1.00 0.00 WT1 O ATOM 26807 H1 TIP3 9228 42.164 60.236 -3.810 1.00 0.00 WT1 H ATOM 26808 H2 TIP3 9228 43.111 59.097 -4.124 1.00 0.00 WT1 H ATOM 26809 OH2 TIP3 9229 55.098 66.679 20.911 1.00 0.00 WT1 O ATOM 26810 H1 TIP3 9229 55.006 67.203 20.115 1.00 0.00 WT1 H ATOM 26811 H2 TIP3 9229 54.918 65.782 20.630 1.00 0.00 WT1 H ATOM 26812 OH2 TIP3 9230 86.287 37.775 16.560 1.00 0.00 WT1 O ATOM 26813 H1 TIP3 9230 85.762 37.266 15.943 1.00 0.00 WT1 H ATOM 26814 H2 TIP3 9230 86.126 37.364 17.409 1.00 0.00 WT1 H ATOM 26815 OH2 TIP3 9231 38.035 21.738 58.587 1.00 0.00 WT1 O ATOM 26816 H1 TIP3 9231 38.770 21.210 58.275 1.00 0.00 WT1 H ATOM 26817 H2 TIP3 9231 37.282 21.420 58.090 1.00 0.00 WT1 H ATOM 26818 OH2 TIP3 9232 45.460 38.155 15.264 1.00 0.00 WT1 O ATOM 26819 H1 TIP3 9232 45.645 38.053 16.198 1.00 0.00 WT1 H ATOM 26820 H2 TIP3 9232 44.591 37.772 15.149 1.00 0.00 WT1 H ATOM 26821 OH2 TIP3 9233 73.358 46.365 31.628 1.00 0.00 WT1 O ATOM 26822 H1 TIP3 9233 72.493 46.443 31.226 1.00 0.00 WT1 H ATOM 26823 H2 TIP3 9233 73.448 47.156 32.160 1.00 0.00 WT1 H ATOM 26824 OH2 TIP3 9234 44.330 1.865 50.514 1.00 0.00 WT1 O ATOM 26825 H1 TIP3 9234 45.134 1.469 50.177 1.00 0.00 WT1 H ATOM 26826 H2 TIP3 9234 43.882 1.150 50.966 1.00 0.00 WT1 H ATOM 26827 OH2 TIP3 9235 73.147 84.424 27.946 1.00 0.00 WT1 O ATOM 26828 H1 TIP3 9235 73.033 83.850 27.188 1.00 0.00 WT1 H ATOM 26829 H2 TIP3 9235 73.027 83.850 28.702 1.00 0.00 WT1 H ATOM 26830 OH2 TIP3 9236 32.791 58.973 -2.712 1.00 0.00 WT1 O ATOM 26831 H1 TIP3 9236 33.078 58.102 -2.986 1.00 0.00 WT1 H ATOM 26832 H2 TIP3 9236 33.521 59.314 -2.194 1.00 0.00 WT1 H ATOM 26833 OH2 TIP3 9237 36.387 37.527 32.280 1.00 0.00 WT1 O ATOM 26834 H1 TIP3 9237 36.952 38.258 32.030 1.00 0.00 WT1 H ATOM 26835 H2 TIP3 9237 35.601 37.637 31.745 1.00 0.00 WT1 H ATOM 26836 OH2 TIP3 9238 85.901 54.587 38.363 1.00 0.00 WT1 O ATOM 26837 H1 TIP3 9238 86.649 55.055 38.733 1.00 0.00 WT1 H ATOM 26838 H2 TIP3 9238 85.138 55.086 38.655 1.00 0.00 WT1 H ATOM 26839 OH2 TIP3 9239 25.915 5.038 34.980 1.00 0.00 WT1 O ATOM 26840 H1 TIP3 9239 25.108 5.217 34.498 1.00 0.00 WT1 H ATOM 26841 H2 TIP3 9239 26.601 5.467 34.468 1.00 0.00 WT1 H ATOM 26842 OH2 TIP3 9240 66.121 49.380 54.614 1.00 0.00 WT1 O ATOM 26843 H1 TIP3 9240 65.405 49.115 55.191 1.00 0.00 WT1 H ATOM 26844 H2 TIP3 9240 66.310 50.284 54.864 1.00 0.00 WT1 H ATOM 26845 OH2 TIP3 9241 82.992 13.834 62.317 1.00 0.00 WT1 O ATOM 26846 H1 TIP3 9241 82.075 13.721 62.567 1.00 0.00 WT1 H ATOM 26847 H2 TIP3 9241 83.469 13.216 62.871 1.00 0.00 WT1 H ATOM 26848 OH2 TIP3 9243 57.888 25.189 17.838 1.00 0.00 WT1 O ATOM 26849 H1 TIP3 9243 57.169 25.182 18.470 1.00 0.00 WT1 H ATOM 26850 H2 TIP3 9243 58.202 26.094 17.842 1.00 0.00 WT1 H ATOM 26851 OH2 TIP3 9244 76.386 87.124 20.158 1.00 0.00 WT1 O ATOM 26852 H1 TIP3 9244 76.944 86.880 20.896 1.00 0.00 WT1 H ATOM 26853 H2 TIP3 9244 75.497 87.105 20.512 1.00 0.00 WT1 H ATOM 26854 OH2 TIP3 9245 57.158 80.372 58.184 1.00 0.00 WT1 O ATOM 26855 H1 TIP3 9245 56.710 79.701 57.669 1.00 0.00 WT1 H ATOM 26856 H2 TIP3 9245 57.151 81.149 57.625 1.00 0.00 WT1 H ATOM 26857 OH2 TIP3 9246 20.689 41.298 -12.934 1.00 0.00 WT1 O ATOM 26858 H1 TIP3 9246 21.363 40.626 -13.033 1.00 0.00 WT1 H ATOM 26859 H2 TIP3 9246 21.050 41.907 -12.289 1.00 0.00 WT1 H ATOM 26860 OH2 TIP3 9247 56.291 45.677 3.802 1.00 0.00 WT1 O ATOM 26861 H1 TIP3 9247 55.401 45.346 3.683 1.00 0.00 WT1 H ATOM 26862 H2 TIP3 9247 56.184 46.622 3.908 1.00 0.00 WT1 H ATOM 26863 OH2 TIP3 9248 51.423 71.070 -1.607 1.00 0.00 WT1 O ATOM 26864 H1 TIP3 9248 50.983 71.913 -1.501 1.00 0.00 WT1 H ATOM 26865 H2 TIP3 9248 51.271 70.614 -0.779 1.00 0.00 WT1 H ATOM 26866 OH2 TIP3 9249 73.216 71.381 49.513 1.00 0.00 WT1 O ATOM 26867 H1 TIP3 9249 72.327 71.470 49.170 1.00 0.00 WT1 H ATOM 26868 H2 TIP3 9249 73.208 71.873 50.334 1.00 0.00 WT1 H ATOM 26869 OH2 TIP3 9250 21.730 61.791 5.552 1.00 0.00 WT1 O ATOM 26870 H1 TIP3 9250 21.821 61.078 4.920 1.00 0.00 WT1 H ATOM 26871 H2 TIP3 9250 22.629 62.015 5.792 1.00 0.00 WT1 H ATOM 26872 OH2 TIP3 9251 22.592 60.170 66.309 1.00 0.00 WT1 O ATOM 26873 H1 TIP3 9251 22.448 60.513 67.191 1.00 0.00 WT1 H ATOM 26874 H2 TIP3 9251 22.276 59.267 66.348 1.00 0.00 WT1 H ATOM 26875 OH2 TIP3 9252 26.713 26.946 30.969 1.00 0.00 WT1 O ATOM 26876 H1 TIP3 9252 26.145 27.098 30.214 1.00 0.00 WT1 H ATOM 26877 H2 TIP3 9252 27.601 26.993 30.614 1.00 0.00 WT1 H ATOM 26878 OH2 TIP3 9253 78.915 74.438 19.526 1.00 0.00 WT1 O ATOM 26879 H1 TIP3 9253 78.005 74.156 19.624 1.00 0.00 WT1 H ATOM 26880 H2 TIP3 9253 79.388 73.644 19.278 1.00 0.00 WT1 H ATOM 26881 OH2 TIP3 9254 44.054 28.562 29.998 1.00 0.00 WT1 O ATOM 26882 H1 TIP3 9254 43.578 29.208 29.476 1.00 0.00 WT1 H ATOM 26883 H2 TIP3 9254 43.482 28.389 30.745 1.00 0.00 WT1 H ATOM 26884 OH2 TIP3 9255 52.421 21.981 -13.366 1.00 0.00 WT1 O ATOM 26885 H1 TIP3 9255 53.213 22.292 -12.927 1.00 0.00 WT1 H ATOM 26886 H2 TIP3 9255 51.828 21.747 -12.652 1.00 0.00 WT1 H ATOM 26887 OH2 TIP3 9256 77.406 62.877 13.164 1.00 0.00 WT1 O ATOM 26888 H1 TIP3 9256 76.943 62.044 13.076 1.00 0.00 WT1 H ATOM 26889 H2 TIP3 9256 77.562 63.160 12.263 1.00 0.00 WT1 H ATOM 26890 OH2 TIP3 9257 50.482 94.120 4.147 1.00 0.00 WT1 O ATOM 26891 H1 TIP3 9257 50.447 93.363 4.730 1.00 0.00 WT1 H ATOM 26892 H2 TIP3 9257 49.568 94.293 3.922 1.00 0.00 WT1 H ATOM 26893 OH2 TIP3 9258 50.164 15.435 54.443 1.00 0.00 WT1 O ATOM 26894 H1 TIP3 9258 50.170 15.439 55.400 1.00 0.00 WT1 H ATOM 26895 H2 TIP3 9258 50.209 14.509 54.206 1.00 0.00 WT1 H ATOM 26896 OH2 TIP3 9259 75.637 39.156 2.704 1.00 0.00 WT1 O ATOM 26897 H1 TIP3 9259 75.449 38.992 3.628 1.00 0.00 WT1 H ATOM 26898 H2 TIP3 9259 75.672 38.285 2.308 1.00 0.00 WT1 H ATOM 26899 OH2 TIP3 9260 51.540 15.476 25.229 1.00 0.00 WT1 O ATOM 26900 H1 TIP3 9260 52.309 16.001 25.008 1.00 0.00 WT1 H ATOM 26901 H2 TIP3 9260 50.821 16.107 25.262 1.00 0.00 WT1 H ATOM 26902 OH2 TIP3 9261 69.587 78.365 -14.178 1.00 0.00 WT1 O ATOM 26903 H1 TIP3 9261 70.290 77.854 -14.580 1.00 0.00 WT1 H ATOM 26904 H2 TIP3 9261 68.905 78.405 -14.849 1.00 0.00 WT1 H ATOM 26905 OH2 TIP3 2 57.163 68.489 -10.929 1.00 0.00 WT2 O ATOM 26906 H1 TIP3 2 56.245 68.218 -10.933 1.00 0.00 WT2 H ATOM 26907 H2 TIP3 2 57.560 67.986 -10.219 1.00 0.00 WT2 H ATOM 26908 OH2 TIP3 3 66.068 82.975 57.626 1.00 0.00 WT2 O ATOM 26909 H1 TIP3 3 66.810 82.424 57.874 1.00 0.00 WT2 H ATOM 26910 H2 TIP3 3 65.825 83.427 58.434 1.00 0.00 WT2 H ATOM 26911 OH2 TIP3 4 57.726 6.284 59.901 1.00 0.00 WT2 O ATOM 26912 H1 TIP3 4 58.585 5.918 60.115 1.00 0.00 WT2 H ATOM 26913 H2 TIP3 4 57.551 5.981 59.010 1.00 0.00 WT2 H ATOM 26914 OH2 TIP3 5 72.343 65.851 65.482 1.00 0.00 WT2 O ATOM 26915 H1 TIP3 5 73.185 65.477 65.223 1.00 0.00 WT2 H ATOM 26916 H2 TIP3 5 71.906 65.148 65.962 1.00 0.00 WT2 H ATOM 26917 OH2 TIP3 7 27.085 83.678 0.444 1.00 0.00 WT2 O ATOM 26918 H1 TIP3 7 27.885 83.576 0.959 1.00 0.00 WT2 H ATOM 26919 H2 TIP3 7 26.789 82.782 0.281 1.00 0.00 WT2 H ATOM 26920 OH2 TIP3 9 86.282 24.375 12.101 1.00 0.00 WT2 O ATOM 26921 H1 TIP3 9 86.512 24.574 11.193 1.00 0.00 WT2 H ATOM 26922 H2 TIP3 9 86.896 23.688 12.359 1.00 0.00 WT2 H ATOM 26923 OH2 TIP3 11 79.878 42.200 39.738 1.00 0.00 WT2 O ATOM 26924 H1 TIP3 11 79.256 41.686 39.223 1.00 0.00 WT2 H ATOM 26925 H2 TIP3 11 80.737 41.858 39.487 1.00 0.00 WT2 H ATOM 26926 OH2 TIP3 21 22.424 42.588 60.727 1.00 0.00 WT2 O ATOM 26927 H1 TIP3 21 22.162 43.463 61.014 1.00 0.00 WT2 H ATOM 26928 H2 TIP3 21 22.859 42.205 61.489 1.00 0.00 WT2 H ATOM 26929 OH2 TIP3 22 35.976 42.963 -10.007 1.00 0.00 WT2 O ATOM 26930 H1 TIP3 22 35.655 43.644 -10.598 1.00 0.00 WT2 H ATOM 26931 H2 TIP3 22 36.337 43.443 -9.262 1.00 0.00 WT2 H ATOM 26932 OH2 TIP3 23 40.267 45.013 57.519 1.00 0.00 WT2 O ATOM 26933 H1 TIP3 23 40.080 44.235 58.043 1.00 0.00 WT2 H ATOM 26934 H2 TIP3 23 41.192 44.932 57.288 1.00 0.00 WT2 H ATOM 26935 OH2 TIP3 24 77.795 2.914 43.694 1.00 0.00 WT2 O ATOM 26936 H1 TIP3 24 77.527 3.517 44.388 1.00 0.00 WT2 H ATOM 26937 H2 TIP3 24 78.555 3.334 43.291 1.00 0.00 WT2 H ATOM 26938 OH2 TIP3 25 23.110 85.547 51.903 1.00 0.00 WT2 O ATOM 26939 H1 TIP3 25 23.825 86.063 51.531 1.00 0.00 WT2 H ATOM 26940 H2 TIP3 25 22.557 85.327 51.154 1.00 0.00 WT2 H ATOM 26941 OH2 TIP3 27 82.689 21.863 36.876 1.00 0.00 WT2 O ATOM 26942 H1 TIP3 27 82.541 22.800 36.750 1.00 0.00 WT2 H ATOM 26943 H2 TIP3 27 83.105 21.575 36.063 1.00 0.00 WT2 H ATOM 26944 OH2 TIP3 28 36.197 41.564 -6.629 1.00 0.00 WT2 O ATOM 26945 H1 TIP3 28 36.384 42.463 -6.898 1.00 0.00 WT2 H ATOM 26946 H2 TIP3 28 35.428 41.316 -7.142 1.00 0.00 WT2 H ATOM 26947 OH2 TIP3 29 43.605 61.087 -7.461 1.00 0.00 WT2 O ATOM 26948 H1 TIP3 29 43.042 60.952 -6.699 1.00 0.00 WT2 H ATOM 26949 H2 TIP3 29 44.491 60.924 -7.136 1.00 0.00 WT2 H ATOM 26950 OH2 TIP3 31 32.874 53.863 51.913 1.00 0.00 WT2 O ATOM 26951 H1 TIP3 31 32.490 52.995 52.044 1.00 0.00 WT2 H ATOM 26952 H2 TIP3 31 32.201 54.471 52.220 1.00 0.00 WT2 H ATOM 26953 OH2 TIP3 36 29.326 67.955 24.617 1.00 0.00 WT2 O ATOM 26954 H1 TIP3 36 29.922 67.246 24.377 1.00 0.00 WT2 H ATOM 26955 H2 TIP3 36 29.701 68.324 25.416 1.00 0.00 WT2 H ATOM 26956 OH2 TIP3 40 37.504 26.688 54.489 1.00 0.00 WT2 O ATOM 26957 H1 TIP3 40 38.363 26.269 54.541 1.00 0.00 WT2 H ATOM 26958 H2 TIP3 40 37.665 27.513 54.033 1.00 0.00 WT2 H ATOM 26959 OH2 TIP3 43 24.021 87.445 18.499 1.00 0.00 WT2 O ATOM 26960 H1 TIP3 43 24.814 87.931 18.721 1.00 0.00 WT2 H ATOM 26961 H2 TIP3 43 24.340 86.616 18.142 1.00 0.00 WT2 H ATOM 26962 OH2 TIP3 44 75.572 38.965 52.465 1.00 0.00 WT2 O ATOM 26963 H1 TIP3 44 75.626 38.131 51.998 1.00 0.00 WT2 H ATOM 26964 H2 TIP3 44 74.809 38.872 53.035 1.00 0.00 WT2 H ATOM 26965 OH2 TIP3 46 89.701 71.060 40.350 1.00 0.00 WT2 O ATOM 26966 H1 TIP3 46 90.094 70.774 41.175 1.00 0.00 WT2 H ATOM 26967 H2 TIP3 46 90.003 70.419 39.706 1.00 0.00 WT2 H ATOM 26968 OH2 TIP3 47 23.769 79.714 25.279 1.00 0.00 WT2 O ATOM 26969 H1 TIP3 47 23.767 80.417 24.629 1.00 0.00 WT2 H ATOM 26970 H2 TIP3 47 23.069 79.125 24.998 1.00 0.00 WT2 H ATOM 26971 OH2 TIP3 50 51.504 88.380 47.517 1.00 0.00 WT2 O ATOM 26972 H1 TIP3 50 51.357 87.890 46.708 1.00 0.00 WT2 H ATOM 26973 H2 TIP3 50 51.208 87.792 48.212 1.00 0.00 WT2 H ATOM 26974 OH2 TIP3 64 58.679 52.326 2.840 1.00 0.00 WT2 O ATOM 26975 H1 TIP3 64 57.869 51.865 3.057 1.00 0.00 WT2 H ATOM 26976 H2 TIP3 64 58.676 53.097 3.407 1.00 0.00 WT2 H ATOM 26977 OH2 TIP3 65 89.122 32.075 -6.169 1.00 0.00 WT2 O ATOM 26978 H1 TIP3 65 89.795 31.895 -6.826 1.00 0.00 WT2 H ATOM 26979 H2 TIP3 65 89.444 32.846 -5.701 1.00 0.00 WT2 H ATOM 26980 OH2 TIP3 66 38.955 31.317 65.048 1.00 0.00 WT2 O ATOM 26981 H1 TIP3 66 39.140 30.792 65.826 1.00 0.00 WT2 H ATOM 26982 H2 TIP3 66 38.833 30.675 64.349 1.00 0.00 WT2 H ATOM 26983 OH2 TIP3 67 46.812 23.392 -7.633 1.00 0.00 WT2 O ATOM 26984 H1 TIP3 67 46.659 23.843 -6.803 1.00 0.00 WT2 H ATOM 26985 H2 TIP3 67 47.400 22.671 -7.410 1.00 0.00 WT2 H ATOM 26986 OH2 TIP3 68 35.922 63.590 -8.969 1.00 0.00 WT2 O ATOM 26987 H1 TIP3 68 36.475 63.911 -8.256 1.00 0.00 WT2 H ATOM 26988 H2 TIP3 68 35.122 63.292 -8.536 1.00 0.00 WT2 H ATOM 26989 OH2 TIP3 69 34.344 48.096 14.301 1.00 0.00 WT2 O ATOM 26990 H1 TIP3 69 34.773 48.184 15.152 1.00 0.00 WT2 H ATOM 26991 H2 TIP3 69 34.945 48.515 13.685 1.00 0.00 WT2 H ATOM 26992 OH2 TIP3 70 38.832 69.219 -15.353 1.00 0.00 WT2 O ATOM 26993 H1 TIP3 70 39.287 69.132 -16.191 1.00 0.00 WT2 H ATOM 26994 H2 TIP3 70 39.526 69.163 -14.696 1.00 0.00 WT2 H ATOM 26995 OH2 TIP3 72 74.356 90.098 -19.492 1.00 0.00 WT2 O ATOM 26996 H1 TIP3 72 73.560 90.628 -19.535 1.00 0.00 WT2 H ATOM 26997 H2 TIP3 72 75.063 90.735 -19.389 1.00 0.00 WT2 H ATOM 26998 OH2 TIP3 73 47.298 58.668 50.011 1.00 0.00 WT2 O ATOM 26999 H1 TIP3 73 47.254 58.547 49.063 1.00 0.00 WT2 H ATOM 27000 H2 TIP3 73 47.255 59.617 50.134 1.00 0.00 WT2 H ATOM 27001 OH2 TIP3 83 70.433 87.177 39.824 1.00 0.00 WT2 O ATOM 27002 H1 TIP3 83 69.846 86.438 39.663 1.00 0.00 WT2 H ATOM 27003 H2 TIP3 83 71.297 86.778 39.931 1.00 0.00 WT2 H ATOM 27004 OH2 TIP3 85 30.799 39.263 35.176 1.00 0.00 WT2 O ATOM 27005 H1 TIP3 85 31.137 39.378 36.064 1.00 0.00 WT2 H ATOM 27006 H2 TIP3 85 31.581 39.163 34.632 1.00 0.00 WT2 H ATOM 27007 OH2 TIP3 86 40.521 50.477 -11.319 1.00 0.00 WT2 O ATOM 27008 H1 TIP3 86 40.030 51.166 -10.872 1.00 0.00 WT2 H ATOM 27009 H2 TIP3 86 41.424 50.795 -11.333 1.00 0.00 WT2 H ATOM 27010 OH2 TIP3 87 58.929 2.602 46.204 1.00 0.00 WT2 O ATOM 27011 H1 TIP3 87 59.501 3.365 46.285 1.00 0.00 WT2 H ATOM 27012 H2 TIP3 87 59.510 1.851 46.327 1.00 0.00 WT2 H ATOM 27013 OH2 TIP3 88 64.137 51.285 -12.935 1.00 0.00 WT2 O ATOM 27014 H1 TIP3 88 65.080 51.196 -12.800 1.00 0.00 WT2 H ATOM 27015 H2 TIP3 88 63.832 51.787 -12.179 1.00 0.00 WT2 H ATOM 27016 OH2 TIP3 90 62.096 94.378 42.902 1.00 0.00 WT2 O ATOM 27017 H1 TIP3 90 61.794 93.542 42.546 1.00 0.00 WT2 H ATOM 27018 H2 TIP3 90 61.636 95.039 42.386 1.00 0.00 WT2 H ATOM 27019 OH2 TIP3 91 59.602 37.566 48.086 1.00 0.00 WT2 O ATOM 27020 H1 TIP3 91 59.360 37.930 47.234 1.00 0.00 WT2 H ATOM 27021 H2 TIP3 91 60.442 37.977 48.292 1.00 0.00 WT2 H ATOM 27022 OH2 TIP3 93 69.417 17.838 55.344 1.00 0.00 WT2 O ATOM 27023 H1 TIP3 93 70.101 18.503 55.415 1.00 0.00 WT2 H ATOM 27024 H2 TIP3 93 68.754 18.234 54.779 1.00 0.00 WT2 H ATOM 27025 OH2 TIP3 107 28.240 37.040 8.105 1.00 0.00 WT2 O ATOM 27026 H1 TIP3 107 27.783 37.271 8.914 1.00 0.00 WT2 H ATOM 27027 H2 TIP3 107 28.856 36.355 8.365 1.00 0.00 WT2 H ATOM 27028 OH2 TIP3 108 28.780 64.855 20.664 1.00 0.00 WT2 O ATOM 27029 H1 TIP3 108 29.506 64.242 20.545 1.00 0.00 WT2 H ATOM 27030 H2 TIP3 108 29.198 65.714 20.722 1.00 0.00 WT2 H ATOM 27031 OH2 TIP3 109 59.895 5.312 60.657 1.00 0.00 WT2 O ATOM 27032 H1 TIP3 109 59.800 4.922 61.526 1.00 0.00 WT2 H ATOM 27033 H2 TIP3 109 60.060 4.568 60.077 1.00 0.00 WT2 H ATOM 27034 OH2 TIP3 110 27.910 35.229 -4.258 1.00 0.00 WT2 O ATOM 27035 H1 TIP3 110 28.502 34.559 -4.599 1.00 0.00 WT2 H ATOM 27036 H2 TIP3 110 27.265 35.356 -4.953 1.00 0.00 WT2 H ATOM 27037 OH2 TIP3 111 83.445 85.426 -4.518 1.00 0.00 WT2 O ATOM 27038 H1 TIP3 111 83.600 84.878 -3.749 1.00 0.00 WT2 H ATOM 27039 H2 TIP3 111 83.771 86.290 -4.267 1.00 0.00 WT2 H ATOM 27040 OH2 TIP3 112 32.858 1.428 8.995 1.00 0.00 WT2 O ATOM 27041 H1 TIP3 112 32.427 1.754 8.206 1.00 0.00 WT2 H ATOM 27042 H2 TIP3 112 33.401 0.701 8.690 1.00 0.00 WT2 H ATOM 27043 OH2 TIP3 113 48.514 4.765 25.764 1.00 0.00 WT2 O ATOM 27044 H1 TIP3 113 47.777 4.644 25.164 1.00 0.00 WT2 H ATOM 27045 H2 TIP3 113 49.288 4.572 25.235 1.00 0.00 WT2 H ATOM 27046 OH2 TIP3 114 27.039 81.781 -12.871 1.00 0.00 WT2 O ATOM 27047 H1 TIP3 114 27.068 80.948 -13.342 1.00 0.00 WT2 H ATOM 27048 H2 TIP3 114 27.730 82.308 -13.274 1.00 0.00 WT2 H ATOM 27049 OH2 TIP3 125 64.573 23.296 8.825 1.00 0.00 WT2 O ATOM 27050 H1 TIP3 125 64.476 22.491 9.334 1.00 0.00 WT2 H ATOM 27051 H2 TIP3 125 63.978 23.918 9.243 1.00 0.00 WT2 H ATOM 27052 OH2 TIP3 129 58.146 22.483 -1.867 1.00 0.00 WT2 O ATOM 27053 H1 TIP3 129 57.523 22.703 -1.174 1.00 0.00 WT2 H ATOM 27054 H2 TIP3 129 57.954 21.570 -2.080 1.00 0.00 WT2 H ATOM 27055 OH2 TIP3 130 80.732 19.127 36.455 1.00 0.00 WT2 O ATOM 27056 H1 TIP3 130 80.820 19.116 35.502 1.00 0.00 WT2 H ATOM 27057 H2 TIP3 130 81.138 19.952 36.722 1.00 0.00 WT2 H ATOM 27058 OH2 TIP3 132 76.652 51.768 66.557 1.00 0.00 WT2 O ATOM 27059 H1 TIP3 132 77.342 51.164 66.284 1.00 0.00 WT2 H ATOM 27060 H2 TIP3 132 76.528 51.587 67.488 1.00 0.00 WT2 H ATOM 27061 OH2 TIP3 133 77.930 6.186 -4.810 1.00 0.00 WT2 O ATOM 27062 H1 TIP3 133 76.981 6.283 -4.894 1.00 0.00 WT2 H ATOM 27063 H2 TIP3 133 78.172 6.794 -4.111 1.00 0.00 WT2 H ATOM 27064 OH2 TIP3 144 44.329 26.513 37.580 1.00 0.00 WT2 O ATOM 27065 H1 TIP3 144 44.984 27.106 37.213 1.00 0.00 WT2 H ATOM 27066 H2 TIP3 144 44.300 26.733 38.511 1.00 0.00 WT2 H ATOM 27067 OH2 TIP3 145 75.931 17.319 -11.953 1.00 0.00 WT2 O ATOM 27068 H1 TIP3 145 75.962 18.175 -11.525 1.00 0.00 WT2 H ATOM 27069 H2 TIP3 145 75.932 17.519 -12.889 1.00 0.00 WT2 H ATOM 27070 OH2 TIP3 146 40.036 48.543 -13.365 1.00 0.00 WT2 O ATOM 27071 H1 TIP3 146 40.342 49.169 -12.708 1.00 0.00 WT2 H ATOM 27072 H2 TIP3 146 40.330 48.909 -14.199 1.00 0.00 WT2 H ATOM 27073 OH2 TIP3 149 44.160 62.523 -13.620 1.00 0.00 WT2 O ATOM 27074 H1 TIP3 149 44.074 61.850 -12.945 1.00 0.00 WT2 H ATOM 27075 H2 TIP3 149 44.250 63.342 -13.134 1.00 0.00 WT2 H ATOM 27076 OH2 TIP3 150 22.223 22.360 51.683 1.00 0.00 WT2 O ATOM 27077 H1 TIP3 150 22.263 22.903 52.471 1.00 0.00 WT2 H ATOM 27078 H2 TIP3 150 23.056 21.889 51.674 1.00 0.00 WT2 H ATOM 27079 OH2 TIP3 151 39.329 43.350 9.473 1.00 0.00 WT2 O ATOM 27080 H1 TIP3 151 39.753 44.004 10.029 1.00 0.00 WT2 H ATOM 27081 H2 TIP3 151 39.950 42.622 9.444 1.00 0.00 WT2 H ATOM 27082 OH2 TIP3 152 58.630 42.031 38.060 1.00 0.00 WT2 O ATOM 27083 H1 TIP3 152 58.465 42.833 37.565 1.00 0.00 WT2 H ATOM 27084 H2 TIP3 152 59.320 42.268 38.680 1.00 0.00 WT2 H ATOM 27085 OH2 TIP3 154 78.523 10.178 -13.845 1.00 0.00 WT2 O ATOM 27086 H1 TIP3 154 78.515 10.114 -12.890 1.00 0.00 WT2 H ATOM 27087 H2 TIP3 154 79.358 9.789 -14.104 1.00 0.00 WT2 H ATOM 27088 OH2 TIP3 167 22.329 94.029 24.297 1.00 0.00 WT2 O ATOM 27089 H1 TIP3 167 21.552 94.001 23.739 1.00 0.00 WT2 H ATOM 27090 H2 TIP3 167 22.976 94.514 23.783 1.00 0.00 WT2 H ATOM 27091 OH2 TIP3 170 68.020 15.623 38.764 1.00 0.00 WT2 O ATOM 27092 H1 TIP3 170 67.609 15.344 37.946 1.00 0.00 WT2 H ATOM 27093 H2 TIP3 170 68.845 15.140 38.795 1.00 0.00 WT2 H ATOM 27094 OH2 TIP3 171 72.995 47.309 65.275 1.00 0.00 WT2 O ATOM 27095 H1 TIP3 171 73.602 47.666 65.923 1.00 0.00 WT2 H ATOM 27096 H2 TIP3 171 72.909 48.000 64.619 1.00 0.00 WT2 H ATOM 27097 OH2 TIP3 173 87.988 47.384 47.996 1.00 0.00 WT2 O ATOM 27098 H1 TIP3 173 87.814 47.029 48.868 1.00 0.00 WT2 H ATOM 27099 H2 TIP3 173 88.489 46.700 47.553 1.00 0.00 WT2 H ATOM 27100 OH2 TIP3 174 31.085 57.537 65.938 1.00 0.00 WT2 O ATOM 27101 H1 TIP3 174 30.775 57.151 66.758 1.00 0.00 WT2 H ATOM 27102 H2 TIP3 174 31.817 58.096 66.198 1.00 0.00 WT2 H ATOM 27103 OH2 TIP3 178 75.755 77.761 -13.553 1.00 0.00 WT2 O ATOM 27104 H1 TIP3 178 76.389 77.979 -12.870 1.00 0.00 WT2 H ATOM 27105 H2 TIP3 178 75.085 77.247 -13.102 1.00 0.00 WT2 H ATOM 27106 OH2 TIP3 189 35.152 15.546 62.578 1.00 0.00 WT2 O ATOM 27107 H1 TIP3 189 35.177 14.653 62.233 1.00 0.00 WT2 H ATOM 27108 H2 TIP3 189 34.735 16.059 61.887 1.00 0.00 WT2 H ATOM 27109 OH2 TIP3 190 31.354 52.641 -19.366 1.00 0.00 WT2 O ATOM 27110 H1 TIP3 190 31.551 53.575 -19.297 1.00 0.00 WT2 H ATOM 27111 H2 TIP3 190 31.989 52.218 -18.788 1.00 0.00 WT2 H ATOM 27112 OH2 TIP3 191 43.381 67.625 -3.991 1.00 0.00 WT2 O ATOM 27113 H1 TIP3 191 43.037 68.281 -3.384 1.00 0.00 WT2 H ATOM 27114 H2 TIP3 191 44.251 67.416 -3.650 1.00 0.00 WT2 H ATOM 27115 OH2 TIP3 192 29.467 24.684 59.743 1.00 0.00 WT2 O ATOM 27116 H1 TIP3 192 29.305 25.622 59.641 1.00 0.00 WT2 H ATOM 27117 H2 TIP3 192 29.793 24.593 60.639 1.00 0.00 WT2 H ATOM 27118 OH2 TIP3 193 74.868 30.075 10.739 1.00 0.00 WT2 O ATOM 27119 H1 TIP3 193 74.138 30.489 10.279 1.00 0.00 WT2 H ATOM 27120 H2 TIP3 193 74.467 29.358 11.230 1.00 0.00 WT2 H ATOM 27121 OH2 TIP3 195 85.424 21.257 -5.271 1.00 0.00 WT2 O ATOM 27122 H1 TIP3 195 86.170 21.856 -5.319 1.00 0.00 WT2 H ATOM 27123 H2 TIP3 195 85.762 20.490 -4.809 1.00 0.00 WT2 H ATOM 27124 OH2 TIP3 196 89.708 89.237 0.843 1.00 0.00 WT2 O ATOM 27125 H1 TIP3 196 90.026 88.657 0.150 1.00 0.00 WT2 H ATOM 27126 H2 TIP3 196 89.577 88.661 1.596 1.00 0.00 WT2 H ATOM 27127 OH2 TIP3 199 34.593 62.596 -3.741 1.00 0.00 WT2 O ATOM 27128 H1 TIP3 199 33.651 62.532 -3.584 1.00 0.00 WT2 H ATOM 27129 H2 TIP3 199 34.925 63.108 -3.003 1.00 0.00 WT2 H ATOM 27130 OH2 TIP3 212 25.750 25.694 44.871 1.00 0.00 WT2 O ATOM 27131 H1 TIP3 212 26.198 25.508 45.696 1.00 0.00 WT2 H ATOM 27132 H2 TIP3 212 26.240 26.423 44.490 1.00 0.00 WT2 H ATOM 27133 OH2 TIP3 214 37.787 26.654 30.434 1.00 0.00 WT2 O ATOM 27134 H1 TIP3 214 38.145 27.481 30.113 1.00 0.00 WT2 H ATOM 27135 H2 TIP3 214 36.936 26.889 30.805 1.00 0.00 WT2 H ATOM 27136 OH2 TIP3 217 71.912 49.515 -2.851 1.00 0.00 WT2 O ATOM 27137 H1 TIP3 217 71.085 49.997 -2.841 1.00 0.00 WT2 H ATOM 27138 H2 TIP3 217 72.259 49.615 -1.965 1.00 0.00 WT2 H ATOM 27139 OH2 TIP3 233 59.275 31.325 17.280 1.00 0.00 WT2 O ATOM 27140 H1 TIP3 233 58.507 31.679 16.833 1.00 0.00 WT2 H ATOM 27141 H2 TIP3 233 59.029 31.308 18.205 1.00 0.00 WT2 H ATOM 27142 OH2 TIP3 235 28.337 3.105 11.622 1.00 0.00 WT2 O ATOM 27143 H1 TIP3 235 28.749 3.798 12.138 1.00 0.00 WT2 H ATOM 27144 H2 TIP3 235 29.049 2.494 11.429 1.00 0.00 WT2 H ATOM 27145 OH2 TIP3 236 26.372 72.463 3.059 1.00 0.00 WT2 O ATOM 27146 H1 TIP3 236 27.006 72.751 3.715 1.00 0.00 WT2 H ATOM 27147 H2 TIP3 236 25.664 73.104 3.111 1.00 0.00 WT2 H ATOM 27148 OH2 TIP3 237 66.640 16.143 66.807 1.00 0.00 WT2 O ATOM 27149 H1 TIP3 237 65.891 15.834 66.296 1.00 0.00 WT2 H ATOM 27150 H2 TIP3 237 66.271 16.362 67.663 1.00 0.00 WT2 H ATOM 27151 OH2 TIP3 239 24.973 24.008 59.734 1.00 0.00 WT2 O ATOM 27152 H1 TIP3 239 24.119 24.417 59.598 1.00 0.00 WT2 H ATOM 27153 H2 TIP3 239 25.373 23.992 58.864 1.00 0.00 WT2 H ATOM 27154 OH2 TIP3 244 73.847 26.669 1.380 1.00 0.00 WT2 O ATOM 27155 H1 TIP3 244 74.116 26.426 0.494 1.00 0.00 WT2 H ATOM 27156 H2 TIP3 244 74.619 26.500 1.920 1.00 0.00 WT2 H ATOM 27157 OH2 TIP3 252 48.867 86.715 42.068 1.00 0.00 WT2 O ATOM 27158 H1 TIP3 252 49.646 86.159 42.039 1.00 0.00 WT2 H ATOM 27159 H2 TIP3 252 48.150 86.114 42.266 1.00 0.00 WT2 H ATOM 27160 OH2 TIP3 253 39.230 46.793 -18.104 1.00 0.00 WT2 O ATOM 27161 H1 TIP3 253 39.988 47.109 -17.612 1.00 0.00 WT2 H ATOM 27162 H2 TIP3 253 39.514 45.956 -18.472 1.00 0.00 WT2 H ATOM 27163 OH2 TIP3 255 77.101 56.716 -19.950 1.00 0.00 WT2 O ATOM 27164 H1 TIP3 255 77.500 57.335 -19.338 1.00 0.00 WT2 H ATOM 27165 H2 TIP3 255 76.273 56.470 -19.536 1.00 0.00 WT2 H ATOM 27166 OH2 TIP3 256 73.629 85.792 -18.668 1.00 0.00 WT2 O ATOM 27167 H1 TIP3 256 73.086 85.707 -19.452 1.00 0.00 WT2 H ATOM 27168 H2 TIP3 256 74.083 86.627 -18.780 1.00 0.00 WT2 H ATOM 27169 OH2 TIP3 257 28.657 93.576 7.382 1.00 0.00 WT2 O ATOM 27170 H1 TIP3 257 29.286 93.774 8.076 1.00 0.00 WT2 H ATOM 27171 H2 TIP3 257 28.027 92.983 7.792 1.00 0.00 WT2 H ATOM 27172 OH2 TIP3 258 65.341 59.178 -3.841 1.00 0.00 WT2 O ATOM 27173 H1 TIP3 258 66.074 58.731 -4.266 1.00 0.00 WT2 H ATOM 27174 H2 TIP3 258 64.916 58.497 -3.319 1.00 0.00 WT2 H ATOM 27175 OH2 TIP3 260 82.723 22.939 -1.768 1.00 0.00 WT2 O ATOM 27176 H1 TIP3 260 83.065 22.352 -2.443 1.00 0.00 WT2 H ATOM 27177 H2 TIP3 260 83.477 23.129 -1.211 1.00 0.00 WT2 H ATOM 27178 OH2 TIP3 262 75.730 89.912 38.684 1.00 0.00 WT2 O ATOM 27179 H1 TIP3 262 75.421 90.386 37.912 1.00 0.00 WT2 H ATOM 27180 H2 TIP3 262 75.096 89.204 38.801 1.00 0.00 WT2 H ATOM 27181 OH2 TIP3 273 78.615 17.229 -13.765 1.00 0.00 WT2 O ATOM 27182 H1 TIP3 273 78.696 16.326 -14.069 1.00 0.00 WT2 H ATOM 27183 H2 TIP3 273 77.690 17.442 -13.889 1.00 0.00 WT2 H ATOM 27184 OH2 TIP3 278 73.991 48.717 33.180 1.00 0.00 WT2 O ATOM 27185 H1 TIP3 278 74.132 49.658 33.282 1.00 0.00 WT2 H ATOM 27186 H2 TIP3 278 73.091 48.575 33.475 1.00 0.00 WT2 H ATOM 27187 OH2 TIP3 279 57.775 11.327 -6.233 1.00 0.00 WT2 O ATOM 27188 H1 TIP3 279 57.567 10.405 -6.383 1.00 0.00 WT2 H ATOM 27189 H2 TIP3 279 58.243 11.335 -5.398 1.00 0.00 WT2 H ATOM 27190 OH2 TIP3 280 68.485 32.380 12.990 1.00 0.00 WT2 O ATOM 27191 H1 TIP3 280 68.086 32.132 13.825 1.00 0.00 WT2 H ATOM 27192 H2 TIP3 280 67.813 32.898 12.548 1.00 0.00 WT2 H ATOM 27193 OH2 TIP3 295 50.923 2.860 65.945 1.00 0.00 WT2 O ATOM 27194 H1 TIP3 295 50.328 3.496 65.549 1.00 0.00 WT2 H ATOM 27195 H2 TIP3 295 50.389 2.404 66.596 1.00 0.00 WT2 H ATOM 27196 OH2 TIP3 296 28.952 54.331 55.416 1.00 0.00 WT2 O ATOM 27197 H1 TIP3 296 29.909 54.301 55.420 1.00 0.00 WT2 H ATOM 27198 H2 TIP3 296 28.734 54.949 54.719 1.00 0.00 WT2 H ATOM 27199 OH2 TIP3 297 80.625 18.426 -4.448 1.00 0.00 WT2 O ATOM 27200 H1 TIP3 297 80.411 19.260 -4.030 1.00 0.00 WT2 H ATOM 27201 H2 TIP3 297 80.556 17.780 -3.744 1.00 0.00 WT2 H ATOM 27202 OH2 TIP3 299 77.005 27.997 1.097 1.00 0.00 WT2 O ATOM 27203 H1 TIP3 299 76.541 27.885 0.267 1.00 0.00 WT2 H ATOM 27204 H2 TIP3 299 76.318 28.211 1.729 1.00 0.00 WT2 H ATOM 27205 OH2 TIP3 300 81.594 40.331 28.923 1.00 0.00 WT2 O ATOM 27206 H1 TIP3 300 81.643 40.273 27.969 1.00 0.00 WT2 H ATOM 27207 H2 TIP3 300 81.553 41.270 29.105 1.00 0.00 WT2 H ATOM 27208 OH2 TIP3 301 37.544 15.129 -10.185 1.00 0.00 WT2 O ATOM 27209 H1 TIP3 301 37.697 14.278 -10.596 1.00 0.00 WT2 H ATOM 27210 H2 TIP3 301 37.003 14.932 -9.420 1.00 0.00 WT2 H ATOM 27211 OH2 TIP3 302 24.500 20.261 41.443 1.00 0.00 WT2 O ATOM 27212 H1 TIP3 302 25.223 19.770 41.052 1.00 0.00 WT2 H ATOM 27213 H2 TIP3 302 23.744 19.681 41.362 1.00 0.00 WT2 H ATOM 27214 OH2 TIP3 303 88.337 43.141 42.308 1.00 0.00 WT2 O ATOM 27215 H1 TIP3 303 88.960 42.999 43.020 1.00 0.00 WT2 H ATOM 27216 H2 TIP3 303 88.880 43.377 41.556 1.00 0.00 WT2 H ATOM 27217 OH2 TIP3 315 28.719 34.363 27.452 1.00 0.00 WT2 O ATOM 27218 H1 TIP3 315 28.586 35.070 26.820 1.00 0.00 WT2 H ATOM 27219 H2 TIP3 315 28.550 33.563 26.955 1.00 0.00 WT2 H ATOM 27220 OH2 TIP3 316 78.030 37.634 4.080 1.00 0.00 WT2 O ATOM 27221 H1 TIP3 316 78.094 37.623 5.035 1.00 0.00 WT2 H ATOM 27222 H2 TIP3 316 78.614 36.933 3.792 1.00 0.00 WT2 H ATOM 27223 OH2 TIP3 317 47.355 54.903 -4.108 1.00 0.00 WT2 O ATOM 27224 H1 TIP3 317 48.292 54.757 -3.978 1.00 0.00 WT2 H ATOM 27225 H2 TIP3 317 46.981 54.864 -3.228 1.00 0.00 WT2 H ATOM 27226 OH2 TIP3 319 22.571 87.060 3.411 1.00 0.00 WT2 O ATOM 27227 H1 TIP3 319 22.767 87.887 3.852 1.00 0.00 WT2 H ATOM 27228 H2 TIP3 319 21.617 86.988 3.450 1.00 0.00 WT2 H ATOM 27229 OH2 TIP3 320 61.403 23.779 12.353 1.00 0.00 WT2 O ATOM 27230 H1 TIP3 320 61.175 22.911 12.686 1.00 0.00 WT2 H ATOM 27231 H2 TIP3 320 60.662 24.333 12.601 1.00 0.00 WT2 H ATOM 27232 OH2 TIP3 321 82.882 68.779 -19.502 1.00 0.00 WT2 O ATOM 27233 H1 TIP3 321 82.574 68.293 -18.738 1.00 0.00 WT2 H ATOM 27234 H2 TIP3 321 82.194 68.660 -20.157 1.00 0.00 WT2 H ATOM 27235 OH2 TIP3 322 39.630 12.829 66.125 1.00 0.00 WT2 O ATOM 27236 H1 TIP3 322 39.457 13.730 65.852 1.00 0.00 WT2 H ATOM 27237 H2 TIP3 322 38.772 12.485 66.373 1.00 0.00 WT2 H ATOM 27238 OH2 TIP3 334 73.393 39.215 62.862 1.00 0.00 WT2 O ATOM 27239 H1 TIP3 334 72.469 38.977 62.789 1.00 0.00 WT2 H ATOM 27240 H2 TIP3 334 73.517 39.416 63.789 1.00 0.00 WT2 H ATOM 27241 OH2 TIP3 335 71.467 44.146 54.430 1.00 0.00 WT2 O ATOM 27242 H1 TIP3 335 71.195 44.922 54.919 1.00 0.00 WT2 H ATOM 27243 H2 TIP3 335 70.647 43.700 54.214 1.00 0.00 WT2 H ATOM 27244 OH2 TIP3 337 49.285 41.243 12.477 1.00 0.00 WT2 O ATOM 27245 H1 TIP3 337 49.168 40.422 12.955 1.00 0.00 WT2 H ATOM 27246 H2 TIP3 337 48.468 41.722 12.621 1.00 0.00 WT2 H ATOM 27247 OH2 TIP3 338 67.438 8.029 26.062 1.00 0.00 WT2 O ATOM 27248 H1 TIP3 338 68.016 7.573 25.450 1.00 0.00 WT2 H ATOM 27249 H2 TIP3 338 66.810 7.363 26.340 1.00 0.00 WT2 H ATOM 27250 OH2 TIP3 339 32.779 52.013 48.486 1.00 0.00 WT2 O ATOM 27251 H1 TIP3 339 31.865 51.935 48.215 1.00 0.00 WT2 H ATOM 27252 H2 TIP3 339 33.028 52.903 48.237 1.00 0.00 WT2 H ATOM 27253 OH2 TIP3 340 57.113 86.883 -12.150 1.00 0.00 WT2 O ATOM 27254 H1 TIP3 340 56.738 86.147 -12.633 1.00 0.00 WT2 H ATOM 27255 H2 TIP3 340 57.990 86.587 -11.905 1.00 0.00 WT2 H ATOM 27256 OH2 TIP3 341 36.493 65.294 -13.893 1.00 0.00 WT2 O ATOM 27257 H1 TIP3 341 35.920 64.843 -13.272 1.00 0.00 WT2 H ATOM 27258 H2 TIP3 341 37.091 65.800 -13.343 1.00 0.00 WT2 H ATOM 27259 OH2 TIP3 344 36.554 16.000 -7.850 1.00 0.00 WT2 O ATOM 27260 H1 TIP3 344 36.696 16.862 -7.458 1.00 0.00 WT2 H ATOM 27261 H2 TIP3 344 35.760 16.104 -8.375 1.00 0.00 WT2 H ATOM 27262 OH2 TIP3 346 48.752 29.738 43.392 1.00 0.00 WT2 O ATOM 27263 H1 TIP3 346 48.496 30.383 42.733 1.00 0.00 WT2 H ATOM 27264 H2 TIP3 346 49.614 29.433 43.107 1.00 0.00 WT2 H ATOM 27265 OH2 TIP3 361 78.204 85.532 54.627 1.00 0.00 WT2 O ATOM 27266 H1 TIP3 361 77.653 85.523 55.410 1.00 0.00 WT2 H ATOM 27267 H2 TIP3 361 78.262 84.613 54.364 1.00 0.00 WT2 H ATOM 27268 OH2 TIP3 362 88.968 69.530 -16.792 1.00 0.00 WT2 O ATOM 27269 H1 TIP3 362 89.571 68.804 -16.633 1.00 0.00 WT2 H ATOM 27270 H2 TIP3 362 89.324 69.974 -17.562 1.00 0.00 WT2 H ATOM 27271 OH2 TIP3 364 61.231 73.324 44.906 1.00 0.00 WT2 O ATOM 27272 H1 TIP3 364 62.028 72.902 44.584 1.00 0.00 WT2 H ATOM 27273 H2 TIP3 364 61.527 74.170 45.243 1.00 0.00 WT2 H ATOM 27274 OH2 TIP3 375 71.075 13.360 52.680 1.00 0.00 WT2 O ATOM 27275 H1 TIP3 375 71.062 12.542 53.176 1.00 0.00 WT2 H ATOM 27276 H2 TIP3 375 71.003 13.087 51.765 1.00 0.00 WT2 H ATOM 27277 OH2 TIP3 378 33.200 34.965 11.829 1.00 0.00 WT2 O ATOM 27278 H1 TIP3 378 33.053 35.083 10.891 1.00 0.00 WT2 H ATOM 27279 H2 TIP3 378 32.425 35.345 12.244 1.00 0.00 WT2 H ATOM 27280 OH2 TIP3 381 74.836 55.315 34.287 1.00 0.00 WT2 O ATOM 27281 H1 TIP3 381 74.129 54.935 34.808 1.00 0.00 WT2 H ATOM 27282 H2 TIP3 381 74.392 55.874 33.650 1.00 0.00 WT2 H ATOM 27283 OH2 TIP3 383 47.263 42.895 43.911 1.00 0.00 WT2 O ATOM 27284 H1 TIP3 383 46.891 42.133 43.468 1.00 0.00 WT2 H ATOM 27285 H2 TIP3 383 47.811 42.527 44.604 1.00 0.00 WT2 H ATOM 27286 OH2 TIP3 384 24.596 26.583 4.020 1.00 0.00 WT2 O ATOM 27287 H1 TIP3 384 24.273 27.390 3.618 1.00 0.00 WT2 H ATOM 27288 H2 TIP3 384 25.045 26.873 4.814 1.00 0.00 WT2 H ATOM 27289 OH2 TIP3 385 39.759 50.734 49.525 1.00 0.00 WT2 O ATOM 27290 H1 TIP3 385 39.410 51.555 49.176 1.00 0.00 WT2 H ATOM 27291 H2 TIP3 385 40.625 50.965 49.860 1.00 0.00 WT2 H ATOM 27292 OH2 TIP3 387 41.933 61.747 61.171 1.00 0.00 WT2 O ATOM 27293 H1 TIP3 387 42.248 62.529 60.718 1.00 0.00 WT2 H ATOM 27294 H2 TIP3 387 41.031 61.957 61.413 1.00 0.00 WT2 H ATOM 27295 OH2 TIP3 392 49.026 58.158 -19.707 1.00 0.00 WT2 O ATOM 27296 H1 TIP3 392 48.570 57.860 -18.920 1.00 0.00 WT2 H ATOM 27297 H2 TIP3 392 49.857 57.682 -19.698 1.00 0.00 WT2 H ATOM 27298 OH2 TIP3 398 76.570 75.094 30.099 1.00 0.00 WT2 O ATOM 27299 H1 TIP3 398 76.317 74.202 30.333 1.00 0.00 WT2 H ATOM 27300 H2 TIP3 398 77.306 74.985 29.496 1.00 0.00 WT2 H ATOM 27301 OH2 TIP3 401 42.109 35.938 40.693 1.00 0.00 WT2 O ATOM 27302 H1 TIP3 401 41.560 36.119 39.930 1.00 0.00 WT2 H ATOM 27303 H2 TIP3 401 42.222 36.790 41.115 1.00 0.00 WT2 H ATOM 27304 OH2 TIP3 403 54.118 70.353 -10.726 1.00 0.00 WT2 O ATOM 27305 H1 TIP3 403 53.350 70.569 -10.196 1.00 0.00 WT2 H ATOM 27306 H2 TIP3 403 54.392 69.492 -10.412 1.00 0.00 WT2 H ATOM 27307 OH2 TIP3 404 49.387 94.278 43.392 1.00 0.00 WT2 O ATOM 27308 H1 TIP3 404 49.408 93.517 42.811 1.00 0.00 WT2 H ATOM 27309 H2 TIP3 404 48.991 94.972 42.865 1.00 0.00 WT2 H ATOM 27310 OH2 TIP3 406 22.414 62.635 -3.591 1.00 0.00 WT2 O ATOM 27311 H1 TIP3 406 23.337 62.839 -3.435 1.00 0.00 WT2 H ATOM 27312 H2 TIP3 406 22.287 61.776 -3.189 1.00 0.00 WT2 H ATOM 27313 OH2 TIP3 407 52.954 81.729 7.887 1.00 0.00 WT2 O ATOM 27314 H1 TIP3 407 52.536 81.529 8.724 1.00 0.00 WT2 H ATOM 27315 H2 TIP3 407 53.066 80.877 7.464 1.00 0.00 WT2 H ATOM 27316 OH2 TIP3 416 52.324 67.482 29.486 1.00 0.00 WT2 O ATOM 27317 H1 TIP3 416 51.854 66.773 29.045 1.00 0.00 WT2 H ATOM 27318 H2 TIP3 416 53.249 67.271 29.359 1.00 0.00 WT2 H ATOM 27319 OH2 TIP3 420 55.669 34.302 46.283 1.00 0.00 WT2 O ATOM 27320 H1 TIP3 420 56.111 34.968 45.757 1.00 0.00 WT2 H ATOM 27321 H2 TIP3 420 56.088 34.357 47.142 1.00 0.00 WT2 H ATOM 27322 OH2 TIP3 424 33.419 72.455 1.180 1.00 0.00 WT2 O ATOM 27323 H1 TIP3 424 34.162 71.928 1.475 1.00 0.00 WT2 H ATOM 27324 H2 TIP3 424 33.814 73.257 0.839 1.00 0.00 WT2 H ATOM 27325 OH2 TIP3 425 43.765 59.204 15.800 1.00 0.00 WT2 O ATOM 27326 H1 TIP3 425 44.176 60.068 15.809 1.00 0.00 WT2 H ATOM 27327 H2 TIP3 425 44.435 58.616 16.148 1.00 0.00 WT2 H ATOM 27328 OH2 TIP3 426 88.077 69.153 -13.149 1.00 0.00 WT2 O ATOM 27329 H1 TIP3 426 87.382 69.158 -13.808 1.00 0.00 WT2 H ATOM 27330 H2 TIP3 426 87.766 69.750 -12.468 1.00 0.00 WT2 H ATOM 27331 OH2 TIP3 427 35.197 18.256 -12.093 1.00 0.00 WT2 O ATOM 27332 H1 TIP3 427 35.300 17.479 -12.643 1.00 0.00 WT2 H ATOM 27333 H2 TIP3 427 35.770 18.097 -11.344 1.00 0.00 WT2 H ATOM 27334 OH2 TIP3 430 46.301 21.689 38.972 1.00 0.00 WT2 O ATOM 27335 H1 TIP3 430 46.057 22.502 39.413 1.00 0.00 WT2 H ATOM 27336 H2 TIP3 430 47.043 21.930 38.417 1.00 0.00 WT2 H ATOM 27337 OH2 TIP3 439 81.008 47.084 29.469 1.00 0.00 WT2 O ATOM 27338 H1 TIP3 439 80.694 46.534 28.750 1.00 0.00 WT2 H ATOM 27339 H2 TIP3 439 80.254 47.168 30.052 1.00 0.00 WT2 H ATOM 27340 OH2 TIP3 443 59.187 0.485 63.337 1.00 0.00 WT2 O ATOM 27341 H1 TIP3 443 59.761 -0.014 63.919 1.00 0.00 WT2 H ATOM 27342 H2 TIP3 443 58.933 -0.140 62.658 1.00 0.00 WT2 H ATOM 27343 OH2 TIP3 444 61.571 49.551 43.969 1.00 0.00 WT2 O ATOM 27344 H1 TIP3 444 61.664 49.385 43.031 1.00 0.00 WT2 H ATOM 27345 H2 TIP3 444 62.057 50.362 44.119 1.00 0.00 WT2 H ATOM 27346 OH2 TIP3 445 68.717 59.321 40.997 1.00 0.00 WT2 O ATOM 27347 H1 TIP3 445 68.570 60.220 41.292 1.00 0.00 WT2 H ATOM 27348 H2 TIP3 445 68.440 59.320 40.081 1.00 0.00 WT2 H ATOM 27349 OH2 TIP3 446 69.423 7.231 55.780 1.00 0.00 WT2 O ATOM 27350 H1 TIP3 446 69.981 6.565 56.181 1.00 0.00 WT2 H ATOM 27351 H2 TIP3 446 69.461 7.044 54.842 1.00 0.00 WT2 H ATOM 27352 OH2 TIP3 447 77.473 93.337 39.956 1.00 0.00 WT2 O ATOM 27353 H1 TIP3 447 76.887 94.066 40.163 1.00 0.00 WT2 H ATOM 27354 H2 TIP3 447 78.352 93.706 40.033 1.00 0.00 WT2 H ATOM 27355 OH2 TIP3 450 42.819 70.082 2.264 1.00 0.00 WT2 O ATOM 27356 H1 TIP3 450 42.262 69.516 1.728 1.00 0.00 WT2 H ATOM 27357 H2 TIP3 450 43.209 69.492 2.909 1.00 0.00 WT2 H ATOM 27358 OH2 TIP3 460 75.071 33.144 -5.945 1.00 0.00 WT2 O ATOM 27359 H1 TIP3 460 75.347 33.364 -6.835 1.00 0.00 WT2 H ATOM 27360 H2 TIP3 460 74.736 32.249 -6.012 1.00 0.00 WT2 H ATOM 27361 OH2 TIP3 465 76.284 1.010 -17.475 1.00 0.00 WT2 O ATOM 27362 H1 TIP3 465 75.724 0.310 -17.812 1.00 0.00 WT2 H ATOM 27363 H2 TIP3 465 75.889 1.815 -17.810 1.00 0.00 WT2 H ATOM 27364 OH2 TIP3 466 36.714 67.024 10.253 1.00 0.00 WT2 O ATOM 27365 H1 TIP3 466 36.914 66.842 9.335 1.00 0.00 WT2 H ATOM 27366 H2 TIP3 466 37.460 67.536 10.564 1.00 0.00 WT2 H ATOM 27367 OH2 TIP3 467 55.518 37.400 -5.109 1.00 0.00 WT2 O ATOM 27368 H1 TIP3 467 56.341 37.149 -5.529 1.00 0.00 WT2 H ATOM 27369 H2 TIP3 467 55.462 36.839 -4.336 1.00 0.00 WT2 H ATOM 27370 OH2 TIP3 468 36.376 65.787 25.211 1.00 0.00 WT2 O ATOM 27371 H1 TIP3 468 37.090 65.154 25.280 1.00 0.00 WT2 H ATOM 27372 H2 TIP3 468 36.786 66.633 25.393 1.00 0.00 WT2 H ATOM 27373 OH2 TIP3 469 25.790 72.000 48.700 1.00 0.00 WT2 O ATOM 27374 H1 TIP3 469 25.087 72.337 48.144 1.00 0.00 WT2 H ATOM 27375 H2 TIP3 469 26.308 71.443 48.120 1.00 0.00 WT2 H ATOM 27376 OH2 TIP3 470 51.538 70.785 -8.478 1.00 0.00 WT2 O ATOM 27377 H1 TIP3 470 51.573 70.169 -7.746 1.00 0.00 WT2 H ATOM 27378 H2 TIP3 470 50.629 71.082 -8.499 1.00 0.00 WT2 H ATOM 27379 OH2 TIP3 472 34.993 20.520 64.855 1.00 0.00 WT2 O ATOM 27380 H1 TIP3 472 35.655 21.168 65.095 1.00 0.00 WT2 H ATOM 27381 H2 TIP3 472 34.394 20.501 65.601 1.00 0.00 WT2 H ATOM 27382 OH2 TIP3 478 81.775 55.042 35.601 1.00 0.00 WT2 O ATOM 27383 H1 TIP3 478 82.090 54.556 34.839 1.00 0.00 WT2 H ATOM 27384 H2 TIP3 478 81.001 55.508 35.285 1.00 0.00 WT2 H ATOM 27385 OH2 TIP3 483 53.467 19.307 9.081 1.00 0.00 WT2 O ATOM 27386 H1 TIP3 483 52.981 19.447 8.269 1.00 0.00 WT2 H ATOM 27387 H2 TIP3 483 54.198 19.923 9.032 1.00 0.00 WT2 H ATOM 27388 OH2 TIP3 484 86.226 86.534 22.283 1.00 0.00 WT2 O ATOM 27389 H1 TIP3 484 85.568 85.840 22.247 1.00 0.00 WT2 H ATOM 27390 H2 TIP3 484 85.859 87.181 22.886 1.00 0.00 WT2 H ATOM 27391 OH2 TIP3 485 40.766 59.265 62.146 1.00 0.00 WT2 O ATOM 27392 H1 TIP3 485 41.268 59.998 61.788 1.00 0.00 WT2 H ATOM 27393 H2 TIP3 485 41.239 59.014 62.939 1.00 0.00 WT2 H ATOM 27394 OH2 TIP3 486 87.958 69.692 48.226 1.00 0.00 WT2 O ATOM 27395 H1 TIP3 486 87.135 69.208 48.304 1.00 0.00 WT2 H ATOM 27396 H2 TIP3 486 88.308 69.434 47.374 1.00 0.00 WT2 H ATOM 27397 OH2 TIP3 488 56.290 85.135 30.634 1.00 0.00 WT2 O ATOM 27398 H1 TIP3 488 55.405 85.498 30.662 1.00 0.00 WT2 H ATOM 27399 H2 TIP3 488 56.833 85.851 30.305 1.00 0.00 WT2 H ATOM 27400 OH2 TIP3 489 89.284 12.514 47.218 1.00 0.00 WT2 O ATOM 27401 H1 TIP3 489 89.418 12.311 48.144 1.00 0.00 WT2 H ATOM 27402 H2 TIP3 489 90.135 12.348 46.811 1.00 0.00 WT2 H ATOM 27403 OH2 TIP3 492 84.864 18.463 -17.468 1.00 0.00 WT2 O ATOM 27404 H1 TIP3 492 84.806 18.918 -16.628 1.00 0.00 WT2 H ATOM 27405 H2 TIP3 492 85.288 17.630 -17.262 1.00 0.00 WT2 H ATOM 27406 OH2 TIP3 503 86.384 37.397 9.648 1.00 0.00 WT2 O ATOM 27407 H1 TIP3 503 85.673 38.036 9.702 1.00 0.00 WT2 H ATOM 27408 H2 TIP3 503 85.953 36.577 9.407 1.00 0.00 WT2 H ATOM 27409 OH2 TIP3 506 28.590 38.192 -15.499 1.00 0.00 WT2 O ATOM 27410 H1 TIP3 506 29.289 38.795 -15.246 1.00 0.00 WT2 H ATOM 27411 H2 TIP3 506 27.811 38.745 -15.570 1.00 0.00 WT2 H ATOM 27412 OH2 TIP3 507 22.542 25.523 -16.059 1.00 0.00 WT2 O ATOM 27413 H1 TIP3 507 22.508 26.477 -16.129 1.00 0.00 WT2 H ATOM 27414 H2 TIP3 507 23.060 25.245 -16.814 1.00 0.00 WT2 H ATOM 27415 OH2 TIP3 508 60.497 96.334 1.737 1.00 0.00 WT2 O ATOM 27416 H1 TIP3 508 60.865 95.451 1.782 1.00 0.00 WT2 H ATOM 27417 H2 TIP3 508 59.632 96.214 1.345 1.00 0.00 WT2 H ATOM 27418 OH2 TIP3 509 66.188 95.287 -3.433 1.00 0.00 WT2 O ATOM 27419 H1 TIP3 509 65.455 95.697 -3.894 1.00 0.00 WT2 H ATOM 27420 H2 TIP3 509 66.957 95.779 -3.722 1.00 0.00 WT2 H ATOM 27421 OH2 TIP3 511 85.938 81.428 35.885 1.00 0.00 WT2 O ATOM 27422 H1 TIP3 511 86.030 80.499 35.672 1.00 0.00 WT2 H ATOM 27423 H2 TIP3 511 85.826 81.446 36.836 1.00 0.00 WT2 H ATOM 27424 OH2 TIP3 512 63.133 11.500 21.477 1.00 0.00 WT2 O ATOM 27425 H1 TIP3 512 63.179 10.965 22.270 1.00 0.00 WT2 H ATOM 27426 H2 TIP3 512 63.557 12.324 21.718 1.00 0.00 WT2 H ATOM 27427 OH2 TIP3 513 90.176 8.867 -2.649 1.00 0.00 WT2 O ATOM 27428 H1 TIP3 513 89.926 9.464 -3.354 1.00 0.00 WT2 H ATOM 27429 H2 TIP3 513 89.786 8.028 -2.894 1.00 0.00 WT2 H ATOM 27430 OH2 TIP3 517 24.654 4.541 12.435 1.00 0.00 WT2 O ATOM 27431 H1 TIP3 517 23.915 5.141 12.334 1.00 0.00 WT2 H ATOM 27432 H2 TIP3 517 25.416 5.112 12.526 1.00 0.00 WT2 H ATOM 27433 OH2 TIP3 528 53.947 49.837 44.627 1.00 0.00 WT2 O ATOM 27434 H1 TIP3 528 53.451 49.109 44.253 1.00 0.00 WT2 H ATOM 27435 H2 TIP3 528 54.739 49.889 44.091 1.00 0.00 WT2 H ATOM 27436 OH2 TIP3 529 36.794 10.040 -0.404 1.00 0.00 WT2 O ATOM 27437 H1 TIP3 529 36.728 10.803 -0.978 1.00 0.00 WT2 H ATOM 27438 H2 TIP3 529 37.721 9.802 -0.428 1.00 0.00 WT2 H ATOM 27439 OH2 TIP3 530 89.309 5.405 57.377 1.00 0.00 WT2 O ATOM 27440 H1 TIP3 530 88.491 5.472 57.869 1.00 0.00 WT2 H ATOM 27441 H2 TIP3 530 89.313 4.509 57.039 1.00 0.00 WT2 H ATOM 27442 OH2 TIP3 532 52.753 91.420 63.871 1.00 0.00 WT2 O ATOM 27443 H1 TIP3 532 52.446 90.534 64.065 1.00 0.00 WT2 H ATOM 27444 H2 TIP3 532 53.286 91.661 64.628 1.00 0.00 WT2 H ATOM 27445 OH2 TIP3 533 58.292 19.307 51.829 1.00 0.00 WT2 O ATOM 27446 H1 TIP3 533 57.346 19.445 51.883 1.00 0.00 WT2 H ATOM 27447 H2 TIP3 533 58.394 18.574 51.222 1.00 0.00 WT2 H ATOM 27448 OH2 TIP3 535 70.174 33.496 -4.866 1.00 0.00 WT2 O ATOM 27449 H1 TIP3 535 70.454 34.385 -4.645 1.00 0.00 WT2 H ATOM 27450 H2 TIP3 535 69.763 33.580 -5.726 1.00 0.00 WT2 H ATOM 27451 OH2 TIP3 543 58.257 13.984 35.381 1.00 0.00 WT2 O ATOM 27452 H1 TIP3 543 57.710 14.759 35.510 1.00 0.00 WT2 H ATOM 27453 H2 TIP3 543 58.783 14.188 34.607 1.00 0.00 WT2 H ATOM 27454 OH2 TIP3 547 83.058 75.000 6.566 1.00 0.00 WT2 O ATOM 27455 H1 TIP3 547 83.203 74.065 6.710 1.00 0.00 WT2 H ATOM 27456 H2 TIP3 547 83.550 75.199 5.770 1.00 0.00 WT2 H ATOM 27457 OH2 TIP3 549 82.325 62.452 35.611 1.00 0.00 WT2 O ATOM 27458 H1 TIP3 549 82.287 63.306 35.181 1.00 0.00 WT2 H ATOM 27459 H2 TIP3 549 82.262 62.652 36.545 1.00 0.00 WT2 H ATOM 27460 OH2 TIP3 550 75.200 73.458 38.691 1.00 0.00 WT2 O ATOM 27461 H1 TIP3 550 76.152 73.397 38.769 1.00 0.00 WT2 H ATOM 27462 H2 TIP3 550 74.959 72.729 38.119 1.00 0.00 WT2 H ATOM 27463 OH2 TIP3 551 47.274 96.729 63.039 1.00 0.00 WT2 O ATOM 27464 H1 TIP3 551 46.729 97.013 63.773 1.00 0.00 WT2 H ATOM 27465 H2 TIP3 551 46.655 96.360 62.410 1.00 0.00 WT2 H ATOM 27466 OH2 TIP3 554 30.236 12.427 -4.106 1.00 0.00 WT2 O ATOM 27467 H1 TIP3 554 30.477 13.081 -4.762 1.00 0.00 WT2 H ATOM 27468 H2 TIP3 554 30.333 11.588 -4.555 1.00 0.00 WT2 H ATOM 27469 OH2 TIP3 558 64.967 37.144 56.376 1.00 0.00 WT2 O ATOM 27470 H1 TIP3 558 64.653 37.447 57.227 1.00 0.00 WT2 H ATOM 27471 H2 TIP3 558 64.742 36.214 56.354 1.00 0.00 WT2 H ATOM 27472 OH2 TIP3 562 80.439 18.019 50.137 1.00 0.00 WT2 O ATOM 27473 H1 TIP3 562 79.592 17.755 49.778 1.00 0.00 WT2 H ATOM 27474 H2 TIP3 562 80.700 18.772 49.607 1.00 0.00 WT2 H ATOM 27475 OH2 TIP3 568 60.415 14.193 2.209 1.00 0.00 WT2 O ATOM 27476 H1 TIP3 568 59.926 13.370 2.197 1.00 0.00 WT2 H ATOM 27477 H2 TIP3 568 59.796 14.845 1.879 1.00 0.00 WT2 H ATOM 27478 OH2 TIP3 570 78.408 93.643 33.739 1.00 0.00 WT2 O ATOM 27479 H1 TIP3 570 77.829 92.912 33.524 1.00 0.00 WT2 H ATOM 27480 H2 TIP3 570 78.957 93.313 34.450 1.00 0.00 WT2 H ATOM 27481 OH2 TIP3 572 80.009 54.407 29.907 1.00 0.00 WT2 O ATOM 27482 H1 TIP3 572 79.608 53.688 29.419 1.00 0.00 WT2 H ATOM 27483 H2 TIP3 572 79.648 55.199 29.509 1.00 0.00 WT2 H ATOM 27484 OH2 TIP3 573 38.586 40.777 66.116 1.00 0.00 WT2 O ATOM 27485 H1 TIP3 573 39.224 40.984 65.434 1.00 0.00 WT2 H ATOM 27486 H2 TIP3 573 37.965 40.185 65.691 1.00 0.00 WT2 H ATOM 27487 OH2 TIP3 574 23.569 5.258 39.748 1.00 0.00 WT2 O ATOM 27488 H1 TIP3 574 23.675 4.450 40.249 1.00 0.00 WT2 H ATOM 27489 H2 TIP3 574 24.424 5.406 39.345 1.00 0.00 WT2 H ATOM 27490 OH2 TIP3 575 67.899 32.506 35.678 1.00 0.00 WT2 O ATOM 27491 H1 TIP3 575 68.287 32.941 34.919 1.00 0.00 WT2 H ATOM 27492 H2 TIP3 575 66.968 32.438 35.466 1.00 0.00 WT2 H ATOM 27493 OH2 TIP3 584 49.705 65.044 59.934 1.00 0.00 WT2 O ATOM 27494 H1 TIP3 584 49.449 65.641 60.636 1.00 0.00 WT2 H ATOM 27495 H2 TIP3 584 50.405 65.504 59.470 1.00 0.00 WT2 H ATOM 27496 OH2 TIP3 588 25.275 91.983 58.349 1.00 0.00 WT2 O ATOM 27497 H1 TIP3 588 25.357 92.805 57.865 1.00 0.00 WT2 H ATOM 27498 H2 TIP3 588 24.452 91.603 58.039 1.00 0.00 WT2 H ATOM 27499 OH2 TIP3 591 25.355 14.149 66.824 1.00 0.00 WT2 O ATOM 27500 H1 TIP3 591 26.161 13.632 66.820 1.00 0.00 WT2 H ATOM 27501 H2 TIP3 591 25.061 14.141 65.913 1.00 0.00 WT2 H ATOM 27502 OH2 TIP3 592 42.008 42.093 62.010 1.00 0.00 WT2 O ATOM 27503 H1 TIP3 592 42.177 42.583 62.815 1.00 0.00 WT2 H ATOM 27504 H2 TIP3 592 42.182 42.719 61.307 1.00 0.00 WT2 H ATOM 27505 OH2 TIP3 593 37.805 41.345 34.358 1.00 0.00 WT2 O ATOM 27506 H1 TIP3 593 38.058 42.246 34.559 1.00 0.00 WT2 H ATOM 27507 H2 TIP3 593 38.220 41.162 33.515 1.00 0.00 WT2 H ATOM 27508 OH2 TIP3 594 63.464 78.022 -17.968 1.00 0.00 WT2 O ATOM 27509 H1 TIP3 594 63.125 78.241 -17.100 1.00 0.00 WT2 H ATOM 27510 H2 TIP3 594 63.041 77.191 -18.187 1.00 0.00 WT2 H ATOM 27511 OH2 TIP3 595 67.539 68.396 61.958 1.00 0.00 WT2 O ATOM 27512 H1 TIP3 595 66.787 68.573 61.392 1.00 0.00 WT2 H ATOM 27513 H2 TIP3 595 68.068 67.769 61.465 1.00 0.00 WT2 H ATOM 27514 OH2 TIP3 596 24.460 80.325 5.762 1.00 0.00 WT2 O ATOM 27515 H1 TIP3 596 24.474 79.505 6.256 1.00 0.00 WT2 H ATOM 27516 H2 TIP3 596 24.209 80.067 4.875 1.00 0.00 WT2 H ATOM 27517 OH2 TIP3 611 52.760 16.719 -7.521 1.00 0.00 WT2 O ATOM 27518 H1 TIP3 611 53.712 16.680 -7.611 1.00 0.00 WT2 H ATOM 27519 H2 TIP3 611 52.495 15.811 -7.370 1.00 0.00 WT2 H ATOM 27520 OH2 TIP3 612 63.488 66.483 32.071 1.00 0.00 WT2 O ATOM 27521 H1 TIP3 612 62.548 66.663 32.071 1.00 0.00 WT2 H ATOM 27522 H2 TIP3 612 63.593 65.751 32.679 1.00 0.00 WT2 H ATOM 27523 OH2 TIP3 613 28.419 7.084 46.256 1.00 0.00 WT2 O ATOM 27524 H1 TIP3 613 29.099 7.721 46.475 1.00 0.00 WT2 H ATOM 27525 H2 TIP3 613 27.854 7.541 45.633 1.00 0.00 WT2 H ATOM 27526 OH2 TIP3 616 55.779 87.248 63.809 1.00 0.00 WT2 O ATOM 27527 H1 TIP3 616 56.054 86.531 63.237 1.00 0.00 WT2 H ATOM 27528 H2 TIP3 616 56.596 87.676 64.067 1.00 0.00 WT2 H ATOM 27529 OH2 TIP3 617 59.014 24.867 49.943 1.00 0.00 WT2 O ATOM 27530 H1 TIP3 617 58.781 25.368 50.724 1.00 0.00 WT2 H ATOM 27531 H2 TIP3 617 58.509 24.057 50.017 1.00 0.00 WT2 H ATOM 27532 OH2 TIP3 619 37.384 25.996 19.390 1.00 0.00 WT2 O ATOM 27533 H1 TIP3 619 37.166 25.527 20.195 1.00 0.00 WT2 H ATOM 27534 H2 TIP3 619 37.082 26.891 19.544 1.00 0.00 WT2 H ATOM 27535 OH2 TIP3 632 80.263 21.603 -0.830 1.00 0.00 WT2 O ATOM 27536 H1 TIP3 632 81.146 21.974 -0.834 1.00 0.00 WT2 H ATOM 27537 H2 TIP3 632 79.916 21.821 0.035 1.00 0.00 WT2 H ATOM 27538 OH2 TIP3 634 75.109 43.063 32.059 1.00 0.00 WT2 O ATOM 27539 H1 TIP3 634 74.219 43.373 32.228 1.00 0.00 WT2 H ATOM 27540 H2 TIP3 634 75.636 43.861 32.010 1.00 0.00 WT2 H ATOM 27541 OH2 TIP3 635 44.321 34.218 -9.883 1.00 0.00 WT2 O ATOM 27542 H1 TIP3 635 43.771 33.783 -10.535 1.00 0.00 WT2 H ATOM 27543 H2 TIP3 635 44.625 33.510 -9.315 1.00 0.00 WT2 H ATOM 27544 OH2 TIP3 638 24.954 42.427 40.412 1.00 0.00 WT2 O ATOM 27545 H1 TIP3 638 24.064 42.266 40.097 1.00 0.00 WT2 H ATOM 27546 H2 TIP3 638 25.412 41.598 40.272 1.00 0.00 WT2 H ATOM 27547 OH2 TIP3 640 39.469 17.715 30.710 1.00 0.00 WT2 O ATOM 27548 H1 TIP3 640 38.886 18.403 31.032 1.00 0.00 WT2 H ATOM 27549 H2 TIP3 640 39.099 16.904 31.059 1.00 0.00 WT2 H ATOM 27550 OH2 TIP3 653 43.883 33.474 67.207 1.00 0.00 WT2 O ATOM 27551 H1 TIP3 653 43.383 34.038 66.617 1.00 0.00 WT2 H ATOM 27552 H2 TIP3 653 44.257 34.074 67.852 1.00 0.00 WT2 H ATOM 27553 OH2 TIP3 654 45.668 18.536 35.351 1.00 0.00 WT2 O ATOM 27554 H1 TIP3 654 45.794 18.058 34.531 1.00 0.00 WT2 H ATOM 27555 H2 TIP3 654 45.927 19.435 35.147 1.00 0.00 WT2 H ATOM 27556 OH2 TIP3 656 62.167 50.426 0.671 1.00 0.00 WT2 O ATOM 27557 H1 TIP3 656 61.790 51.059 0.059 1.00 0.00 WT2 H ATOM 27558 H2 TIP3 656 62.115 50.858 1.524 1.00 0.00 WT2 H ATOM 27559 OH2 TIP3 657 43.957 48.339 42.657 1.00 0.00 WT2 O ATOM 27560 H1 TIP3 657 44.432 48.845 41.997 1.00 0.00 WT2 H ATOM 27561 H2 TIP3 657 43.066 48.274 42.315 1.00 0.00 WT2 H ATOM 27562 OH2 TIP3 659 79.452 72.902 28.628 1.00 0.00 WT2 O ATOM 27563 H1 TIP3 659 79.194 72.251 27.976 1.00 0.00 WT2 H ATOM 27564 H2 TIP3 659 79.091 72.573 29.452 1.00 0.00 WT2 H ATOM 27565 OH2 TIP3 660 32.142 58.139 42.005 1.00 0.00 WT2 O ATOM 27566 H1 TIP3 660 32.948 57.727 42.316 1.00 0.00 WT2 H ATOM 27567 H2 TIP3 660 32.342 58.414 41.111 1.00 0.00 WT2 H ATOM 27568 OH2 TIP3 672 48.897 32.685 50.407 1.00 0.00 WT2 O ATOM 27569 H1 TIP3 672 49.402 33.109 49.713 1.00 0.00 WT2 H ATOM 27570 H2 TIP3 672 49.484 32.679 51.162 1.00 0.00 WT2 H ATOM 27571 OH2 TIP3 674 75.074 70.484 60.097 1.00 0.00 WT2 O ATOM 27572 H1 TIP3 674 75.177 70.554 61.046 1.00 0.00 WT2 H ATOM 27573 H2 TIP3 674 74.299 69.934 59.980 1.00 0.00 WT2 H ATOM 27574 OH2 TIP3 675 77.086 53.335 13.799 1.00 0.00 WT2 O ATOM 27575 H1 TIP3 675 77.215 53.654 14.692 1.00 0.00 WT2 H ATOM 27576 H2 TIP3 675 76.870 54.118 13.293 1.00 0.00 WT2 H ATOM 27577 OH2 TIP3 676 21.213 36.426 52.848 1.00 0.00 WT2 O ATOM 27578 H1 TIP3 676 20.427 35.937 52.607 1.00 0.00 WT2 H ATOM 27579 H2 TIP3 676 21.646 36.611 52.015 1.00 0.00 WT2 H ATOM 27580 OH2 TIP3 677 36.678 75.606 7.933 1.00 0.00 WT2 O ATOM 27581 H1 TIP3 677 35.847 75.563 8.407 1.00 0.00 WT2 H ATOM 27582 H2 TIP3 677 37.289 75.106 8.474 1.00 0.00 WT2 H ATOM 27583 OH2 TIP3 680 75.371 29.409 3.152 1.00 0.00 WT2 O ATOM 27584 H1 TIP3 680 74.921 29.978 3.776 1.00 0.00 WT2 H ATOM 27585 H2 TIP3 680 74.936 28.561 3.243 1.00 0.00 WT2 H ATOM 27586 OH2 TIP3 682 46.335 14.817 48.735 1.00 0.00 WT2 O ATOM 27587 H1 TIP3 682 46.030 14.018 49.165 1.00 0.00 WT2 H ATOM 27588 H2 TIP3 682 45.848 14.848 47.912 1.00 0.00 WT2 H ATOM 27589 OH2 TIP3 683 78.275 44.692 -8.648 1.00 0.00 WT2 O ATOM 27590 H1 TIP3 683 78.941 45.280 -9.004 1.00 0.00 WT2 H ATOM 27591 H2 TIP3 683 78.519 44.581 -7.730 1.00 0.00 WT2 H ATOM 27592 OH2 TIP3 692 54.749 34.218 35.412 1.00 0.00 WT2 O ATOM 27593 H1 TIP3 692 53.900 34.259 35.853 1.00 0.00 WT2 H ATOM 27594 H2 TIP3 692 54.645 34.774 34.640 1.00 0.00 WT2 H ATOM 27595 OH2 TIP3 695 66.044 39.141 66.417 1.00 0.00 WT2 O ATOM 27596 H1 TIP3 695 66.675 38.774 67.036 1.00 0.00 WT2 H ATOM 27597 H2 TIP3 695 65.299 38.541 66.450 1.00 0.00 WT2 H ATOM 27598 OH2 TIP3 696 74.661 68.969 12.192 1.00 0.00 WT2 O ATOM 27599 H1 TIP3 696 73.896 68.574 11.773 1.00 0.00 WT2 H ATOM 27600 H2 TIP3 696 74.405 69.877 12.353 1.00 0.00 WT2 H ATOM 27601 OH2 TIP3 697 82.589 77.775 13.799 1.00 0.00 WT2 O ATOM 27602 H1 TIP3 697 83.173 78.403 14.225 1.00 0.00 WT2 H ATOM 27603 H2 TIP3 697 83.145 77.325 13.162 1.00 0.00 WT2 H ATOM 27604 OH2 TIP3 698 24.234 48.525 54.853 1.00 0.00 WT2 O ATOM 27605 H1 TIP3 698 24.494 47.914 54.163 1.00 0.00 WT2 H ATOM 27606 H2 TIP3 698 23.540 48.068 55.329 1.00 0.00 WT2 H ATOM 27607 OH2 TIP3 699 67.776 17.159 -3.800 1.00 0.00 WT2 O ATOM 27608 H1 TIP3 699 67.632 16.231 -3.985 1.00 0.00 WT2 H ATOM 27609 H2 TIP3 699 67.330 17.310 -2.967 1.00 0.00 WT2 H ATOM 27610 OH2 TIP3 715 34.504 95.035 15.876 1.00 0.00 WT2 O ATOM 27611 H1 TIP3 715 34.760 95.807 15.370 1.00 0.00 WT2 H ATOM 27612 H2 TIP3 715 35.027 94.323 15.508 1.00 0.00 WT2 H ATOM 27613 OH2 TIP3 716 87.233 15.268 50.997 1.00 0.00 WT2 O ATOM 27614 H1 TIP3 716 88.105 15.662 50.959 1.00 0.00 WT2 H ATOM 27615 H2 TIP3 716 87.392 14.326 50.933 1.00 0.00 WT2 H ATOM 27616 OH2 TIP3 717 74.530 58.516 9.243 1.00 0.00 WT2 O ATOM 27617 H1 TIP3 717 73.991 57.728 9.167 1.00 0.00 WT2 H ATOM 27618 H2 TIP3 717 73.943 59.233 9.003 1.00 0.00 WT2 H ATOM 27619 OH2 TIP3 718 64.487 56.521 1.136 1.00 0.00 WT2 O ATOM 27620 H1 TIP3 718 64.305 55.955 1.887 1.00 0.00 WT2 H ATOM 27621 H2 TIP3 718 64.148 57.378 1.395 1.00 0.00 WT2 H ATOM 27622 OH2 TIP3 719 25.588 40.287 60.427 1.00 0.00 WT2 O ATOM 27623 H1 TIP3 719 25.802 41.098 60.886 1.00 0.00 WT2 H ATOM 27624 H2 TIP3 719 25.443 39.647 61.124 1.00 0.00 WT2 H ATOM 27625 OH2 TIP3 720 48.018 92.108 18.467 1.00 0.00 WT2 O ATOM 27626 H1 TIP3 720 48.211 93.014 18.224 1.00 0.00 WT2 H ATOM 27627 H2 TIP3 720 48.457 91.581 17.800 1.00 0.00 WT2 H ATOM 27628 OH2 TIP3 721 82.218 65.120 47.560 1.00 0.00 WT2 O ATOM 27629 H1 TIP3 721 82.843 65.276 46.852 1.00 0.00 WT2 H ATOM 27630 H2 TIP3 721 82.083 64.172 47.557 1.00 0.00 WT2 H ATOM 27631 OH2 TIP3 735 66.221 64.683 61.200 1.00 0.00 WT2 O ATOM 27632 H1 TIP3 735 66.140 63.822 60.789 1.00 0.00 WT2 H ATOM 27633 H2 TIP3 735 66.273 64.498 62.137 1.00 0.00 WT2 H ATOM 27634 OH2 TIP3 736 37.394 63.127 42.462 1.00 0.00 WT2 O ATOM 27635 H1 TIP3 736 37.642 62.397 41.895 1.00 0.00 WT2 H ATOM 27636 H2 TIP3 736 38.085 63.776 42.333 1.00 0.00 WT2 H ATOM 27637 OH2 TIP3 738 45.093 3.063 -7.310 1.00 0.00 WT2 O ATOM 27638 H1 TIP3 738 44.436 2.367 -7.288 1.00 0.00 WT2 H ATOM 27639 H2 TIP3 738 45.210 3.253 -8.240 1.00 0.00 WT2 H ATOM 27640 OH2 TIP3 739 33.305 63.236 61.647 1.00 0.00 WT2 O ATOM 27641 H1 TIP3 739 33.324 62.337 61.319 1.00 0.00 WT2 H ATOM 27642 H2 TIP3 739 34.226 63.475 61.747 1.00 0.00 WT2 H ATOM 27643 OH2 TIP3 740 46.651 39.012 35.132 1.00 0.00 WT2 O ATOM 27644 H1 TIP3 740 47.037 39.748 34.657 1.00 0.00 WT2 H ATOM 27645 H2 TIP3 740 47.155 38.250 34.845 1.00 0.00 WT2 H ATOM 27646 OH2 TIP3 741 25.921 15.815 -10.644 1.00 0.00 WT2 O ATOM 27647 H1 TIP3 741 25.384 15.085 -10.954 1.00 0.00 WT2 H ATOM 27648 H2 TIP3 741 25.902 16.448 -11.361 1.00 0.00 WT2 H ATOM 27649 OH2 TIP3 744 34.606 68.330 3.571 1.00 0.00 WT2 O ATOM 27650 H1 TIP3 744 35.396 67.790 3.604 1.00 0.00 WT2 H ATOM 27651 H2 TIP3 744 34.523 68.688 4.455 1.00 0.00 WT2 H ATOM 27652 OH2 TIP3 746 20.642 74.223 51.455 1.00 0.00 WT2 O ATOM 27653 H1 TIP3 746 21.257 73.507 51.295 1.00 0.00 WT2 H ATOM 27654 H2 TIP3 746 20.428 74.556 50.584 1.00 0.00 WT2 H ATOM 27655 OH2 TIP3 757 54.888 16.217 27.045 1.00 0.00 WT2 O ATOM 27656 H1 TIP3 757 54.300 16.962 27.170 1.00 0.00 WT2 H ATOM 27657 H2 TIP3 757 55.314 16.387 26.205 1.00 0.00 WT2 H ATOM 27658 OH2 TIP3 758 24.178 -0.066 5.755 1.00 0.00 WT2 O ATOM 27659 H1 TIP3 758 24.590 -0.409 4.961 1.00 0.00 WT2 H ATOM 27660 H2 TIP3 758 23.842 0.793 5.499 1.00 0.00 WT2 H ATOM 27661 OH2 TIP3 759 23.281 3.690 63.331 1.00 0.00 WT2 O ATOM 27662 H1 TIP3 759 23.163 2.763 63.538 1.00 0.00 WT2 H ATOM 27663 H2 TIP3 759 23.504 3.701 62.400 1.00 0.00 WT2 H ATOM 27664 OH2 TIP3 760 38.123 28.451 3.448 1.00 0.00 WT2 O ATOM 27665 H1 TIP3 760 38.651 27.669 3.612 1.00 0.00 WT2 H ATOM 27666 H2 TIP3 760 38.091 28.900 4.294 1.00 0.00 WT2 H ATOM 27667 OH2 TIP3 765 89.761 58.261 59.462 1.00 0.00 WT2 O ATOM 27668 H1 TIP3 765 89.247 57.669 58.912 1.00 0.00 WT2 H ATOM 27669 H2 TIP3 765 89.657 57.916 60.349 1.00 0.00 WT2 H ATOM 27670 OH2 TIP3 766 65.342 10.162 66.835 1.00 0.00 WT2 O ATOM 27671 H1 TIP3 766 65.279 9.717 67.681 1.00 0.00 WT2 H ATOM 27672 H2 TIP3 766 65.632 11.048 67.052 1.00 0.00 WT2 H ATOM 27673 OH2 TIP3 776 65.956 48.906 31.817 1.00 0.00 WT2 O ATOM 27674 H1 TIP3 776 65.217 48.989 31.214 1.00 0.00 WT2 H ATOM 27675 H2 TIP3 776 65.907 49.689 32.365 1.00 0.00 WT2 H ATOM 27676 OH2 TIP3 778 86.086 77.568 48.741 1.00 0.00 WT2 O ATOM 27677 H1 TIP3 778 85.349 77.544 48.131 1.00 0.00 WT2 H ATOM 27678 H2 TIP3 778 86.848 77.347 48.206 1.00 0.00 WT2 H ATOM 27679 OH2 TIP3 780 80.017 61.852 63.791 1.00 0.00 WT2 O ATOM 27680 H1 TIP3 780 79.352 61.266 64.152 1.00 0.00 WT2 H ATOM 27681 H2 TIP3 780 80.748 61.793 64.407 1.00 0.00 WT2 H ATOM 27682 OH2 TIP3 781 77.659 60.691 32.770 1.00 0.00 WT2 O ATOM 27683 H1 TIP3 781 77.504 59.822 33.139 1.00 0.00 WT2 H ATOM 27684 H2 TIP3 781 77.914 61.228 33.521 1.00 0.00 WT2 H ATOM 27685 OH2 TIP3 782 77.678 65.117 54.222 1.00 0.00 WT2 O ATOM 27686 H1 TIP3 782 78.117 65.156 53.373 1.00 0.00 WT2 H ATOM 27687 H2 TIP3 782 77.176 64.303 54.196 1.00 0.00 WT2 H ATOM 27688 OH2 TIP3 783 44.553 63.577 3.558 1.00 0.00 WT2 O ATOM 27689 H1 TIP3 783 43.860 62.967 3.813 1.00 0.00 WT2 H ATOM 27690 H2 TIP3 783 45.026 63.756 4.371 1.00 0.00 WT2 H ATOM 27691 OH2 TIP3 784 61.154 89.987 -9.321 1.00 0.00 WT2 O ATOM 27692 H1 TIP3 784 60.748 90.561 -9.970 1.00 0.00 WT2 H ATOM 27693 H2 TIP3 784 60.507 89.296 -9.173 1.00 0.00 WT2 H ATOM 27694 OH2 TIP3 785 65.840 50.376 60.717 1.00 0.00 WT2 O ATOM 27695 H1 TIP3 785 65.935 51.327 60.670 1.00 0.00 WT2 H ATOM 27696 H2 TIP3 785 66.128 50.063 59.859 1.00 0.00 WT2 H ATOM 27697 OH2 TIP3 801 90.570 25.706 47.736 1.00 0.00 WT2 O ATOM 27698 H1 TIP3 801 90.051 25.102 47.206 1.00 0.00 WT2 H ATOM 27699 H2 TIP3 801 90.788 25.208 48.524 1.00 0.00 WT2 H ATOM 27700 OH2 TIP3 802 87.798 44.794 65.020 1.00 0.00 WT2 O ATOM 27701 H1 TIP3 802 86.922 44.947 64.666 1.00 0.00 WT2 H ATOM 27702 H2 TIP3 802 87.712 44.968 65.957 1.00 0.00 WT2 H ATOM 27703 OH2 TIP3 803 23.860 57.295 9.053 1.00 0.00 WT2 O ATOM 27704 H1 TIP3 803 24.501 56.866 9.619 1.00 0.00 WT2 H ATOM 27705 H2 TIP3 803 23.797 56.726 8.286 1.00 0.00 WT2 H ATOM 27706 OH2 TIP3 804 33.716 24.561 -14.917 1.00 0.00 WT2 O ATOM 27707 H1 TIP3 804 33.735 23.607 -14.993 1.00 0.00 WT2 H ATOM 27708 H2 TIP3 804 33.336 24.726 -14.055 1.00 0.00 WT2 H ATOM 27709 OH2 TIP3 805 62.697 82.617 59.468 1.00 0.00 WT2 O ATOM 27710 H1 TIP3 805 61.741 82.659 59.446 1.00 0.00 WT2 H ATOM 27711 H2 TIP3 805 62.974 83.047 58.659 1.00 0.00 WT2 H ATOM 27712 OH2 TIP3 807 89.101 64.963 -16.459 1.00 0.00 WT2 O ATOM 27713 H1 TIP3 807 89.379 64.551 -17.277 1.00 0.00 WT2 H ATOM 27714 H2 TIP3 807 89.572 65.796 -16.438 1.00 0.00 WT2 H ATOM 27715 OH2 TIP3 809 62.901 29.507 -12.222 1.00 0.00 WT2 O ATOM 27716 H1 TIP3 809 62.199 28.897 -12.448 1.00 0.00 WT2 H ATOM 27717 H2 TIP3 809 62.634 29.881 -11.383 1.00 0.00 WT2 H ATOM 27718 OH2 TIP3 817 46.057 29.391 39.396 1.00 0.00 WT2 O ATOM 27719 H1 TIP3 817 45.148 29.092 39.417 1.00 0.00 WT2 H ATOM 27720 H2 TIP3 817 46.005 30.328 39.588 1.00 0.00 WT2 H ATOM 27721 OH2 TIP3 822 40.730 18.676 36.155 1.00 0.00 WT2 O ATOM 27722 H1 TIP3 822 40.772 18.177 35.340 1.00 0.00 WT2 H ATOM 27723 H2 TIP3 822 40.585 19.580 35.876 1.00 0.00 WT2 H ATOM 27724 OH2 TIP3 823 64.846 15.193 26.381 1.00 0.00 WT2 O ATOM 27725 H1 TIP3 823 64.890 15.798 25.641 1.00 0.00 WT2 H ATOM 27726 H2 TIP3 823 63.925 15.201 26.644 1.00 0.00 WT2 H ATOM 27727 OH2 TIP3 824 73.622 36.441 14.576 1.00 0.00 WT2 O ATOM 27728 H1 TIP3 824 73.027 35.754 14.275 1.00 0.00 WT2 H ATOM 27729 H2 TIP3 824 74.404 35.970 14.865 1.00 0.00 WT2 H ATOM 27730 OH2 TIP3 826 78.229 47.690 -7.676 1.00 0.00 WT2 O ATOM 27731 H1 TIP3 826 77.893 47.311 -6.864 1.00 0.00 WT2 H ATOM 27732 H2 TIP3 826 77.447 47.975 -8.149 1.00 0.00 WT2 H ATOM 27733 OH2 TIP3 843 81.004 26.108 9.118 1.00 0.00 WT2 O ATOM 27734 H1 TIP3 843 81.699 26.446 8.553 1.00 0.00 WT2 H ATOM 27735 H2 TIP3 843 81.031 25.160 8.991 1.00 0.00 WT2 H ATOM 27736 OH2 TIP3 845 44.838 12.767 58.847 1.00 0.00 WT2 O ATOM 27737 H1 TIP3 845 43.885 12.677 58.839 1.00 0.00 WT2 H ATOM 27738 H2 TIP3 845 45.164 11.873 58.947 1.00 0.00 WT2 H ATOM 27739 OH2 TIP3 846 59.477 78.450 35.512 1.00 0.00 WT2 O ATOM 27740 H1 TIP3 846 58.587 78.530 35.853 1.00 0.00 WT2 H ATOM 27741 H2 TIP3 846 59.584 77.515 35.336 1.00 0.00 WT2 H ATOM 27742 OH2 TIP3 847 49.341 68.407 27.433 1.00 0.00 WT2 O ATOM 27743 H1 TIP3 847 49.001 67.815 28.105 1.00 0.00 WT2 H ATOM 27744 H2 TIP3 847 49.374 67.874 26.639 1.00 0.00 WT2 H ATOM 27745 OH2 TIP3 848 27.877 6.130 15.300 1.00 0.00 WT2 O ATOM 27746 H1 TIP3 848 27.732 5.365 15.856 1.00 0.00 WT2 H ATOM 27747 H2 TIP3 848 27.903 6.868 15.909 1.00 0.00 WT2 H ATOM 27748 OH2 TIP3 849 78.473 82.750 25.058 1.00 0.00 WT2 O ATOM 27749 H1 TIP3 849 77.654 82.422 25.431 1.00 0.00 WT2 H ATOM 27750 H2 TIP3 849 78.267 82.918 24.139 1.00 0.00 WT2 H ATOM 27751 OH2 TIP3 862 82.761 56.191 8.767 1.00 0.00 WT2 O ATOM 27752 H1 TIP3 862 82.584 56.043 9.696 1.00 0.00 WT2 H ATOM 27753 H2 TIP3 862 81.953 55.932 8.324 1.00 0.00 WT2 H ATOM 27754 OH2 TIP3 865 42.156 41.336 37.363 1.00 0.00 WT2 O ATOM 27755 H1 TIP3 865 43.097 41.236 37.219 1.00 0.00 WT2 H ATOM 27756 H2 TIP3 865 41.863 41.901 36.647 1.00 0.00 WT2 H ATOM 27757 OH2 TIP3 866 26.746 92.088 8.640 1.00 0.00 WT2 O ATOM 27758 H1 TIP3 866 25.794 92.131 8.728 1.00 0.00 WT2 H ATOM 27759 H2 TIP3 866 27.077 92.284 9.517 1.00 0.00 WT2 H ATOM 27760 OH2 TIP3 867 29.705 78.626 59.942 1.00 0.00 WT2 O ATOM 27761 H1 TIP3 867 30.209 77.813 59.986 1.00 0.00 WT2 H ATOM 27762 H2 TIP3 867 29.129 78.511 59.186 1.00 0.00 WT2 H ATOM 27763 OH2 TIP3 883 86.508 56.434 -4.551 1.00 0.00 WT2 O ATOM 27764 H1 TIP3 883 86.881 56.055 -3.755 1.00 0.00 WT2 H ATOM 27765 H2 TIP3 883 87.183 57.032 -4.872 1.00 0.00 WT2 H ATOM 27766 OH2 TIP3 885 66.516 35.574 63.860 1.00 0.00 WT2 O ATOM 27767 H1 TIP3 885 66.936 35.746 64.703 1.00 0.00 WT2 H ATOM 27768 H2 TIP3 885 67.098 35.978 63.216 1.00 0.00 WT2 H ATOM 27769 OH2 TIP3 887 39.155 2.871 31.089 1.00 0.00 WT2 O ATOM 27770 H1 TIP3 887 40.028 3.202 30.880 1.00 0.00 WT2 H ATOM 27771 H2 TIP3 887 39.109 2.022 30.649 1.00 0.00 WT2 H ATOM 27772 OH2 TIP3 888 35.408 3.654 6.020 1.00 0.00 WT2 O ATOM 27773 H1 TIP3 888 34.640 3.085 6.063 1.00 0.00 WT2 H ATOM 27774 H2 TIP3 888 35.823 3.563 6.878 1.00 0.00 WT2 H ATOM 27775 OH2 TIP3 891 32.577 51.529 59.267 1.00 0.00 WT2 O ATOM 27776 H1 TIP3 891 32.643 52.445 58.995 1.00 0.00 WT2 H ATOM 27777 H2 TIP3 891 32.059 51.554 60.071 1.00 0.00 WT2 H ATOM 27778 OH2 TIP3 905 25.806 40.472 50.800 1.00 0.00 WT2 O ATOM 27779 H1 TIP3 905 25.340 39.889 51.399 1.00 0.00 WT2 H ATOM 27780 H2 TIP3 905 25.376 40.340 49.955 1.00 0.00 WT2 H ATOM 27781 OH2 TIP3 906 36.967 39.694 4.578 1.00 0.00 WT2 O ATOM 27782 H1 TIP3 906 37.703 39.222 4.967 1.00 0.00 WT2 H ATOM 27783 H2 TIP3 906 36.548 40.136 5.317 1.00 0.00 WT2 H ATOM 27784 OH2 TIP3 907 76.249 60.186 -1.652 1.00 0.00 WT2 O ATOM 27785 H1 TIP3 907 75.568 60.484 -1.049 1.00 0.00 WT2 H ATOM 27786 H2 TIP3 907 75.768 59.816 -2.392 1.00 0.00 WT2 H ATOM 27787 OH2 TIP3 908 58.478 19.738 59.619 1.00 0.00 WT2 O ATOM 27788 H1 TIP3 908 57.829 20.391 59.358 1.00 0.00 WT2 H ATOM 27789 H2 TIP3 908 58.028 19.198 60.269 1.00 0.00 WT2 H ATOM 27790 OH2 TIP3 909 39.444 82.331 -10.361 1.00 0.00 WT2 O ATOM 27791 H1 TIP3 909 38.518 82.570 -10.378 1.00 0.00 WT2 H ATOM 27792 H2 TIP3 909 39.662 82.281 -9.430 1.00 0.00 WT2 H ATOM 27793 OH2 TIP3 910 59.745 20.115 11.184 1.00 0.00 WT2 O ATOM 27794 H1 TIP3 910 59.241 20.926 11.128 1.00 0.00 WT2 H ATOM 27795 H2 TIP3 910 59.194 19.524 11.696 1.00 0.00 WT2 H ATOM 27796 OH2 TIP3 912 49.840 6.784 64.474 1.00 0.00 WT2 O ATOM 27797 H1 TIP3 912 49.434 5.955 64.727 1.00 0.00 WT2 H ATOM 27798 H2 TIP3 912 50.233 7.115 65.282 1.00 0.00 WT2 H ATOM 27799 OH2 TIP3 913 80.781 84.499 42.152 1.00 0.00 WT2 O ATOM 27800 H1 TIP3 913 81.513 85.055 42.420 1.00 0.00 WT2 H ATOM 27801 H2 TIP3 913 80.909 84.371 41.212 1.00 0.00 WT2 H ATOM 27802 OH2 TIP3 924 87.080 23.007 47.906 1.00 0.00 WT2 O ATOM 27803 H1 TIP3 924 86.271 23.300 48.327 1.00 0.00 WT2 H ATOM 27804 H2 TIP3 924 87.710 22.933 48.622 1.00 0.00 WT2 H ATOM 27805 OH2 TIP3 925 25.064 27.812 6.543 1.00 0.00 WT2 O ATOM 27806 H1 TIP3 925 25.748 28.116 7.140 1.00 0.00 WT2 H ATOM 27807 H2 TIP3 925 24.397 27.433 7.114 1.00 0.00 WT2 H ATOM 27808 OH2 TIP3 926 31.931 68.191 9.420 1.00 0.00 WT2 O ATOM 27809 H1 TIP3 926 32.709 68.043 9.958 1.00 0.00 WT2 H ATOM 27810 H2 TIP3 926 31.503 67.336 9.377 1.00 0.00 WT2 H ATOM 27811 OH2 TIP3 927 83.863 32.499 35.394 1.00 0.00 WT2 O ATOM 27812 H1 TIP3 927 83.416 32.123 34.636 1.00 0.00 WT2 H ATOM 27813 H2 TIP3 927 84.447 31.804 35.698 1.00 0.00 WT2 H ATOM 27814 OH2 TIP3 928 72.593 57.719 13.043 1.00 0.00 WT2 O ATOM 27815 H1 TIP3 928 71.810 57.888 13.567 1.00 0.00 WT2 H ATOM 27816 H2 TIP3 928 73.291 57.595 13.686 1.00 0.00 WT2 H ATOM 27817 OH2 TIP3 929 25.617 11.311 28.249 1.00 0.00 WT2 O ATOM 27818 H1 TIP3 929 25.073 11.520 27.490 1.00 0.00 WT2 H ATOM 27819 H2 TIP3 929 26.496 11.597 28.000 1.00 0.00 WT2 H ATOM 27820 OH2 TIP3 930 80.406 37.724 34.713 1.00 0.00 WT2 O ATOM 27821 H1 TIP3 930 80.378 36.833 34.364 1.00 0.00 WT2 H ATOM 27822 H2 TIP3 930 79.601 37.807 35.224 1.00 0.00 WT2 H ATOM 27823 OH2 TIP3 932 55.536 43.052 31.485 1.00 0.00 WT2 O ATOM 27824 H1 TIP3 932 55.057 43.877 31.567 1.00 0.00 WT2 H ATOM 27825 H2 TIP3 932 55.766 43.000 30.557 1.00 0.00 WT2 H ATOM 27826 OH2 TIP3 942 61.960 67.791 -19.132 1.00 0.00 WT2 O ATOM 27827 H1 TIP3 942 62.856 67.730 -18.799 1.00 0.00 WT2 H ATOM 27828 H2 TIP3 942 61.463 68.183 -18.415 1.00 0.00 WT2 H ATOM 27829 OH2 TIP3 947 68.570 62.940 -15.469 1.00 0.00 WT2 O ATOM 27830 H1 TIP3 947 68.329 62.366 -16.196 1.00 0.00 WT2 H ATOM 27831 H2 TIP3 947 67.873 62.815 -14.824 1.00 0.00 WT2 H ATOM 27832 OH2 TIP3 948 24.273 1.380 39.469 1.00 0.00 WT2 O ATOM 27833 H1 TIP3 948 25.150 1.237 39.111 1.00 0.00 WT2 H ATOM 27834 H2 TIP3 948 23.721 1.520 38.700 1.00 0.00 WT2 H ATOM 27835 OH2 TIP3 950 40.601 26.919 56.565 1.00 0.00 WT2 O ATOM 27836 H1 TIP3 950 40.706 26.853 55.616 1.00 0.00 WT2 H ATOM 27837 H2 TIP3 950 40.566 26.011 56.866 1.00 0.00 WT2 H ATOM 27838 OH2 TIP3 951 73.253 69.291 58.302 1.00 0.00 WT2 O ATOM 27839 H1 TIP3 951 73.770 69.861 57.734 1.00 0.00 WT2 H ATOM 27840 H2 TIP3 951 73.591 68.412 58.132 1.00 0.00 WT2 H ATOM 27841 OH2 TIP3 952 83.365 54.728 61.098 1.00 0.00 WT2 O ATOM 27842 H1 TIP3 952 82.487 54.822 61.467 1.00 0.00 WT2 H ATOM 27843 H2 TIP3 952 83.712 55.620 61.073 1.00 0.00 WT2 H ATOM 27844 OH2 TIP3 953 80.046 3.841 57.055 1.00 0.00 WT2 O ATOM 27845 H1 TIP3 953 80.431 3.065 56.647 1.00 0.00 WT2 H ATOM 27846 H2 TIP3 953 80.682 4.538 56.893 1.00 0.00 WT2 H ATOM 27847 OH2 TIP3 956 57.131 46.462 56.025 1.00 0.00 WT2 O ATOM 27848 H1 TIP3 956 56.403 46.630 56.623 1.00 0.00 WT2 H ATOM 27849 H2 TIP3 956 57.768 47.148 56.223 1.00 0.00 WT2 H ATOM 27850 OH2 TIP3 964 26.385 39.436 57.849 1.00 0.00 WT2 O ATOM 27851 H1 TIP3 964 25.514 39.774 57.642 1.00 0.00 WT2 H ATOM 27852 H2 TIP3 964 26.488 39.596 58.787 1.00 0.00 WT2 H ATOM 27853 OH2 TIP3 968 24.497 77.811 3.298 1.00 0.00 WT2 O ATOM 27854 H1 TIP3 968 23.826 78.491 3.357 1.00 0.00 WT2 H ATOM 27855 H2 TIP3 968 24.357 77.409 2.440 1.00 0.00 WT2 H ATOM 27856 OH2 TIP3 969 35.375 87.006 -7.475 1.00 0.00 WT2 O ATOM 27857 H1 TIP3 969 36.085 86.413 -7.723 1.00 0.00 WT2 H ATOM 27858 H2 TIP3 969 34.628 86.430 -7.311 1.00 0.00 WT2 H ATOM 27859 OH2 TIP3 970 33.469 16.374 41.226 1.00 0.00 WT2 O ATOM 27860 H1 TIP3 970 33.250 15.463 41.030 1.00 0.00 WT2 H ATOM 27861 H2 TIP3 970 33.560 16.788 40.368 1.00 0.00 WT2 H ATOM 27862 OH2 TIP3 972 89.773 72.600 -12.499 1.00 0.00 WT2 O ATOM 27863 H1 TIP3 972 90.354 72.646 -11.740 1.00 0.00 WT2 H ATOM 27864 H2 TIP3 972 88.895 72.522 -12.124 1.00 0.00 WT2 H ATOM 27865 OH2 TIP3 974 56.156 37.792 57.504 1.00 0.00 WT2 O ATOM 27866 H1 TIP3 974 55.916 37.695 56.582 1.00 0.00 WT2 H ATOM 27867 H2 TIP3 974 55.359 37.566 57.984 1.00 0.00 WT2 H ATOM 27868 OH2 TIP3 985 67.390 34.053 28.001 1.00 0.00 WT2 O ATOM 27869 H1 TIP3 985 67.141 34.876 27.580 1.00 0.00 WT2 H ATOM 27870 H2 TIP3 985 67.266 33.389 27.323 1.00 0.00 WT2 H ATOM 27871 OH2 TIP3 987 64.584 14.911 50.808 1.00 0.00 WT2 O ATOM 27872 H1 TIP3 987 64.426 13.968 50.769 1.00 0.00 WT2 H ATOM 27873 H2 TIP3 987 63.720 15.304 50.683 1.00 0.00 WT2 H ATOM 27874 OH2 TIP3 988 71.179 25.786 8.752 1.00 0.00 WT2 O ATOM 27875 H1 TIP3 988 72.084 25.591 8.994 1.00 0.00 WT2 H ATOM 27876 H2 TIP3 988 70.877 25.000 8.296 1.00 0.00 WT2 H ATOM 27877 OH2 TIP3 989 32.366 77.447 49.690 1.00 0.00 WT2 O ATOM 27878 H1 TIP3 989 31.923 76.627 49.908 1.00 0.00 WT2 H ATOM 27879 H2 TIP3 989 33.012 77.203 49.028 1.00 0.00 WT2 H ATOM 27880 OH2 TIP3 990 52.541 89.250 9.459 1.00 0.00 WT2 O ATOM 27881 H1 TIP3 990 52.639 89.950 10.105 1.00 0.00 WT2 H ATOM 27882 H2 TIP3 990 52.433 88.455 9.981 1.00 0.00 WT2 H ATOM 27883 OH2 TIP3 991 61.207 78.002 60.624 1.00 0.00 WT2 O ATOM 27884 H1 TIP3 991 61.450 78.663 61.272 1.00 0.00 WT2 H ATOM 27885 H2 TIP3 991 61.851 77.304 60.740 1.00 0.00 WT2 H ATOM 27886 OH2 TIP3 992 25.606 7.924 -6.577 1.00 0.00 WT2 O ATOM 27887 H1 TIP3 992 25.991 7.097 -6.865 1.00 0.00 WT2 H ATOM 27888 H2 TIP3 992 25.302 8.341 -7.384 1.00 0.00 WT2 H ATOM 27889 OH2 TIP3 995 53.824 92.137 59.407 1.00 0.00 WT2 O ATOM 27890 H1 TIP3 995 53.759 92.527 58.535 1.00 0.00 WT2 H ATOM 27891 H2 TIP3 995 53.152 91.455 59.415 1.00 0.00 WT2 H ATOM 27892 OH2 TIP3 1007 48.681 83.525 -3.681 1.00 0.00 WT2 O ATOM 27893 H1 TIP3 1007 48.692 83.212 -4.586 1.00 0.00 WT2 H ATOM 27894 H2 TIP3 1007 49.498 84.014 -3.587 1.00 0.00 WT2 H ATOM 27895 OH2 TIP3 1010 89.234 78.611 -19.591 1.00 0.00 WT2 O ATOM 27896 H1 TIP3 1010 89.361 79.544 -19.419 1.00 0.00 WT2 H ATOM 27897 H2 TIP3 1010 88.375 78.558 -20.010 1.00 0.00 WT2 H ATOM 27898 OH2 TIP3 1011 22.780 22.628 -4.214 1.00 0.00 WT2 O ATOM 27899 H1 TIP3 1011 23.101 23.398 -3.746 1.00 0.00 WT2 H ATOM 27900 H2 TIP3 1011 22.011 22.348 -3.717 1.00 0.00 WT2 H ATOM 27901 OH2 TIP3 1013 30.605 77.432 -7.254 1.00 0.00 WT2 O ATOM 27902 H1 TIP3 1013 30.192 78.284 -7.398 1.00 0.00 WT2 H ATOM 27903 H2 TIP3 1013 30.011 76.805 -7.666 1.00 0.00 WT2 H ATOM 27904 OH2 TIP3 1014 89.509 13.496 -2.437 1.00 0.00 WT2 O ATOM 27905 H1 TIP3 1014 90.187 12.826 -2.521 1.00 0.00 WT2 H ATOM 27906 H2 TIP3 1014 88.972 13.204 -1.701 1.00 0.00 WT2 H ATOM 27907 OH2 TIP3 1017 21.722 16.048 38.678 1.00 0.00 WT2 O ATOM 27908 H1 TIP3 1017 21.172 16.700 38.245 1.00 0.00 WT2 H ATOM 27909 H2 TIP3 1017 21.144 15.634 39.319 1.00 0.00 WT2 H ATOM 27910 OH2 TIP3 1018 30.912 34.306 64.060 1.00 0.00 WT2 O ATOM 27911 H1 TIP3 1018 30.682 35.186 63.761 1.00 0.00 WT2 H ATOM 27912 H2 TIP3 1018 30.820 33.756 63.282 1.00 0.00 WT2 H ATOM 27913 OH2 TIP3 1027 37.439 25.010 34.473 1.00 0.00 WT2 O ATOM 27914 H1 TIP3 1027 37.616 24.594 33.630 1.00 0.00 WT2 H ATOM 27915 H2 TIP3 1027 38.118 24.671 35.056 1.00 0.00 WT2 H ATOM 27916 OH2 TIP3 1032 52.671 4.870 -12.417 1.00 0.00 WT2 O ATOM 27917 H1 TIP3 1032 52.525 4.171 -11.780 1.00 0.00 WT2 H ATOM 27918 H2 TIP3 1032 53.572 5.152 -12.262 1.00 0.00 WT2 H ATOM 27919 OH2 TIP3 1033 27.958 37.355 27.352 1.00 0.00 WT2 O ATOM 27920 H1 TIP3 1033 28.047 38.247 27.018 1.00 0.00 WT2 H ATOM 27921 H2 TIP3 1033 27.857 36.814 26.569 1.00 0.00 WT2 H ATOM 27922 OH2 TIP3 1040 24.308 1.494 29.916 1.00 0.00 WT2 O ATOM 27923 H1 TIP3 1040 23.431 1.408 29.542 1.00 0.00 WT2 H ATOM 27924 H2 TIP3 1040 24.192 1.301 30.847 1.00 0.00 WT2 H ATOM 27925 OH2 TIP3 1051 38.842 25.629 8.145 1.00 0.00 WT2 O ATOM 27926 H1 TIP3 1051 38.317 25.672 7.345 1.00 0.00 WT2 H ATOM 27927 H2 TIP3 1051 39.110 26.534 8.305 1.00 0.00 WT2 H ATOM 27928 OH2 TIP3 1053 21.441 -0.116 61.120 1.00 0.00 WT2 O ATOM 27929 H1 TIP3 1053 21.368 0.787 60.812 1.00 0.00 WT2 H ATOM 27930 H2 TIP3 1053 21.219 -0.071 62.050 1.00 0.00 WT2 H ATOM 27931 OH2 TIP3 1054 35.696 25.946 10.973 1.00 0.00 WT2 O ATOM 27932 H1 TIP3 1054 36.534 26.103 11.409 1.00 0.00 WT2 H ATOM 27933 H2 TIP3 1054 35.154 26.695 11.218 1.00 0.00 WT2 H ATOM 27934 OH2 TIP3 1055 57.413 60.021 51.920 1.00 0.00 WT2 O ATOM 27935 H1 TIP3 1055 57.489 59.229 51.388 1.00 0.00 WT2 H ATOM 27936 H2 TIP3 1055 57.996 60.651 51.497 1.00 0.00 WT2 H ATOM 27937 OH2 TIP3 1058 57.392 86.645 24.322 1.00 0.00 WT2 O ATOM 27938 H1 TIP3 1058 57.771 87.404 24.764 1.00 0.00 WT2 H ATOM 27939 H2 TIP3 1058 56.935 87.011 23.565 1.00 0.00 WT2 H ATOM 27940 OH2 TIP3 1059 38.375 82.267 51.675 1.00 0.00 WT2 O ATOM 27941 H1 TIP3 1059 38.959 81.870 51.030 1.00 0.00 WT2 H ATOM 27942 H2 TIP3 1059 37.775 82.804 51.157 1.00 0.00 WT2 H ATOM 27943 OH2 TIP3 1072 79.759 35.444 28.882 1.00 0.00 WT2 O ATOM 27944 H1 TIP3 1072 79.911 36.368 29.081 1.00 0.00 WT2 H ATOM 27945 H2 TIP3 1072 80.222 35.297 28.057 1.00 0.00 WT2 H ATOM 27946 OH2 TIP3 1075 71.264 65.261 61.453 1.00 0.00 WT2 O ATOM 27947 H1 TIP3 1075 71.286 64.305 61.409 1.00 0.00 WT2 H ATOM 27948 H2 TIP3 1075 72.007 65.543 60.919 1.00 0.00 WT2 H ATOM 27949 OH2 TIP3 1076 70.197 61.981 38.193 1.00 0.00 WT2 O ATOM 27950 H1 TIP3 1076 69.595 62.659 37.887 1.00 0.00 WT2 H ATOM 27951 H2 TIP3 1076 70.802 61.850 37.463 1.00 0.00 WT2 H ATOM 27952 OH2 TIP3 1077 29.247 28.426 -3.432 1.00 0.00 WT2 O ATOM 27953 H1 TIP3 1077 29.621 28.883 -4.185 1.00 0.00 WT2 H ATOM 27954 H2 TIP3 1077 28.395 28.841 -3.298 1.00 0.00 WT2 H ATOM 27955 OH2 TIP3 1092 67.749 1.626 32.653 1.00 0.00 WT2 O ATOM 27956 H1 TIP3 1092 67.686 0.776 33.089 1.00 0.00 WT2 H ATOM 27957 H2 TIP3 1092 67.747 2.262 33.368 1.00 0.00 WT2 H ATOM 27958 OH2 TIP3 1094 56.283 23.462 54.881 1.00 0.00 WT2 O ATOM 27959 H1 TIP3 1094 57.073 23.869 55.237 1.00 0.00 WT2 H ATOM 27960 H2 TIP3 1094 56.152 23.892 54.036 1.00 0.00 WT2 H ATOM 27961 OH2 TIP3 1096 63.542 58.850 38.726 1.00 0.00 WT2 O ATOM 27962 H1 TIP3 1096 63.104 58.085 39.101 1.00 0.00 WT2 H ATOM 27963 H2 TIP3 1096 62.938 59.165 38.053 1.00 0.00 WT2 H ATOM 27964 OH2 TIP3 1101 30.396 41.097 58.585 1.00 0.00 WT2 O ATOM 27965 H1 TIP3 1101 31.146 41.504 59.017 1.00 0.00 WT2 H ATOM 27966 H2 TIP3 1101 30.221 40.309 59.100 1.00 0.00 WT2 H ATOM 27967 OH2 TIP3 1112 55.279 47.996 -17.694 1.00 0.00 WT2 O ATOM 27968 H1 TIP3 1112 56.201 47.740 -17.700 1.00 0.00 WT2 H ATOM 27969 H2 TIP3 1112 55.179 48.516 -16.896 1.00 0.00 WT2 H ATOM 27970 OH2 TIP3 1113 32.522 93.190 59.600 1.00 0.00 WT2 O ATOM 27971 H1 TIP3 1113 31.611 92.908 59.515 1.00 0.00 WT2 H ATOM 27972 H2 TIP3 1113 32.679 93.214 60.543 1.00 0.00 WT2 H ATOM 27973 OH2 TIP3 1115 78.029 16.963 49.300 1.00 0.00 WT2 O ATOM 27974 H1 TIP3 1115 78.457 16.960 48.444 1.00 0.00 WT2 H ATOM 27975 H2 TIP3 1115 77.094 16.913 49.102 1.00 0.00 WT2 H ATOM 27976 OH2 TIP3 1117 48.911 7.551 56.408 1.00 0.00 WT2 O ATOM 27977 H1 TIP3 1117 48.307 8.234 56.114 1.00 0.00 WT2 H ATOM 27978 H2 TIP3 1117 48.344 6.862 56.755 1.00 0.00 WT2 H ATOM 27979 OH2 TIP3 1119 42.509 10.182 -0.015 1.00 0.00 WT2 O ATOM 27980 H1 TIP3 1119 42.290 9.904 -0.904 1.00 0.00 WT2 H ATOM 27981 H2 TIP3 1119 43.094 9.498 0.312 1.00 0.00 WT2 H ATOM 27982 OH2 TIP3 1122 53.346 34.231 42.140 1.00 0.00 WT2 O ATOM 27983 H1 TIP3 1122 52.924 34.961 42.593 1.00 0.00 WT2 H ATOM 27984 H2 TIP3 1122 52.744 34.009 41.430 1.00 0.00 WT2 H ATOM 27985 OH2 TIP3 1134 79.471 75.715 64.585 1.00 0.00 WT2 O ATOM 27986 H1 TIP3 1134 80.328 75.671 64.161 1.00 0.00 WT2 H ATOM 27987 H2 TIP3 1134 79.037 76.461 64.170 1.00 0.00 WT2 H ATOM 27988 OH2 TIP3 1135 33.618 62.594 -0.582 1.00 0.00 WT2 O ATOM 27989 H1 TIP3 1135 33.921 63.448 -0.272 1.00 0.00 WT2 H ATOM 27990 H2 TIP3 1135 32.916 62.354 0.024 1.00 0.00 WT2 H ATOM 27991 OH2 TIP3 1137 58.697 43.080 56.398 1.00 0.00 WT2 O ATOM 27992 H1 TIP3 1137 57.800 42.906 56.113 1.00 0.00 WT2 H ATOM 27993 H2 TIP3 1137 58.867 43.980 56.121 1.00 0.00 WT2 H ATOM 27994 OH2 TIP3 1139 25.590 96.488 -9.354 1.00 0.00 WT2 O ATOM 27995 H1 TIP3 1139 26.545 96.542 -9.393 1.00 0.00 WT2 H ATOM 27996 H2 TIP3 1139 25.415 95.748 -8.772 1.00 0.00 WT2 H ATOM 27997 OH2 TIP3 1140 86.728 44.828 43.557 1.00 0.00 WT2 O ATOM 27998 H1 TIP3 1140 87.255 44.242 43.014 1.00 0.00 WT2 H ATOM 27999 H2 TIP3 1140 86.704 44.403 44.415 1.00 0.00 WT2 H ATOM 28000 OH2 TIP3 1155 69.322 58.196 -15.564 1.00 0.00 WT2 O ATOM 28001 H1 TIP3 1155 69.706 58.982 -15.951 1.00 0.00 WT2 H ATOM 28002 H2 TIP3 1155 69.576 57.488 -16.155 1.00 0.00 WT2 H ATOM 28003 OH2 TIP3 1157 33.764 43.899 62.251 1.00 0.00 WT2 O ATOM 28004 H1 TIP3 1157 33.303 43.497 62.987 1.00 0.00 WT2 H ATOM 28005 H2 TIP3 1157 33.362 44.763 62.158 1.00 0.00 WT2 H ATOM 28006 OH2 TIP3 1158 43.681 44.415 31.617 1.00 0.00 WT2 O ATOM 28007 H1 TIP3 1158 44.372 45.059 31.775 1.00 0.00 WT2 H ATOM 28008 H2 TIP3 1158 43.507 44.475 30.678 1.00 0.00 WT2 H ATOM 28009 OH2 TIP3 1159 41.901 47.885 51.933 1.00 0.00 WT2 O ATOM 28010 H1 TIP3 1159 42.573 47.322 51.548 1.00 0.00 WT2 H ATOM 28011 H2 TIP3 1159 41.479 47.337 52.595 1.00 0.00 WT2 H ATOM 28012 OH2 TIP3 1160 80.337 9.211 4.244 1.00 0.00 WT2 O ATOM 28013 H1 TIP3 1160 81.096 8.635 4.158 1.00 0.00 WT2 H ATOM 28014 H2 TIP3 1160 80.184 9.269 5.187 1.00 0.00 WT2 H ATOM 28015 OH2 TIP3 1162 66.162 42.272 -2.513 1.00 0.00 WT2 O ATOM 28016 H1 TIP3 1162 66.868 42.895 -2.342 1.00 0.00 WT2 H ATOM 28017 H2 TIP3 1162 65.434 42.812 -2.821 1.00 0.00 WT2 H ATOM 28018 OH2 TIP3 1163 86.045 44.809 46.400 1.00 0.00 WT2 O ATOM 28019 H1 TIP3 1163 85.238 45.242 46.678 1.00 0.00 WT2 H ATOM 28020 H2 TIP3 1163 86.473 44.551 47.216 1.00 0.00 WT2 H ATOM 28021 OH2 TIP3 1177 80.427 39.379 -18.276 1.00 0.00 WT2 O ATOM 28022 H1 TIP3 1177 80.654 39.790 -17.442 1.00 0.00 WT2 H ATOM 28023 H2 TIP3 1177 80.637 38.453 -18.153 1.00 0.00 WT2 H ATOM 28024 OH2 TIP3 1178 45.444 13.198 63.000 1.00 0.00 WT2 O ATOM 28025 H1 TIP3 1178 44.580 12.793 62.919 1.00 0.00 WT2 H ATOM 28026 H2 TIP3 1178 45.284 14.007 63.487 1.00 0.00 WT2 H ATOM 28027 OH2 TIP3 1179 38.346 18.976 61.966 1.00 0.00 WT2 O ATOM 28028 H1 TIP3 1179 38.397 18.843 62.913 1.00 0.00 WT2 H ATOM 28029 H2 TIP3 1179 37.508 19.417 61.831 1.00 0.00 WT2 H ATOM 28030 OH2 TIP3 1180 88.498 19.318 63.445 1.00 0.00 WT2 O ATOM 28031 H1 TIP3 1180 88.224 20.151 63.829 1.00 0.00 WT2 H ATOM 28032 H2 TIP3 1180 87.899 18.673 63.820 1.00 0.00 WT2 H ATOM 28033 OH2 TIP3 1181 31.311 39.539 62.535 1.00 0.00 WT2 O ATOM 28034 H1 TIP3 1181 31.335 39.543 61.578 1.00 0.00 WT2 H ATOM 28035 H2 TIP3 1181 31.123 38.630 62.766 1.00 0.00 WT2 H ATOM 28036 OH2 TIP3 1183 32.512 68.840 23.696 1.00 0.00 WT2 O ATOM 28037 H1 TIP3 1183 32.442 67.885 23.682 1.00 0.00 WT2 H ATOM 28038 H2 TIP3 1183 33.446 69.010 23.815 1.00 0.00 WT2 H ATOM 28039 OH2 TIP3 1185 35.985 85.327 67.000 1.00 0.00 WT2 O ATOM 28040 H1 TIP3 1185 36.667 84.655 67.011 1.00 0.00 WT2 H ATOM 28041 H2 TIP3 1185 35.956 85.626 66.091 1.00 0.00 WT2 H ATOM 28042 OH2 TIP3 1197 68.990 12.684 60.586 1.00 0.00 WT2 O ATOM 28043 H1 TIP3 1197 69.335 12.726 59.694 1.00 0.00 WT2 H ATOM 28044 H2 TIP3 1197 69.467 11.961 60.994 1.00 0.00 WT2 H ATOM 28045 OH2 TIP3 1200 85.560 58.951 -15.292 1.00 0.00 WT2 O ATOM 28046 H1 TIP3 1200 85.300 59.580 -15.965 1.00 0.00 WT2 H ATOM 28047 H2 TIP3 1200 84.906 59.054 -14.601 1.00 0.00 WT2 H ATOM 28048 OH2 TIP3 1201 78.813 52.815 28.101 1.00 0.00 WT2 O ATOM 28049 H1 TIP3 1201 78.780 52.121 27.443 1.00 0.00 WT2 H ATOM 28050 H2 TIP3 1201 78.029 52.681 28.632 1.00 0.00 WT2 H ATOM 28051 OH2 TIP3 1202 85.524 14.433 -18.649 1.00 0.00 WT2 O ATOM 28052 H1 TIP3 1202 84.598 14.482 -18.413 1.00 0.00 WT2 H ATOM 28053 H2 TIP3 1202 85.961 15.016 -18.028 1.00 0.00 WT2 H ATOM 28054 OH2 TIP3 1203 45.030 35.361 -3.933 1.00 0.00 WT2 O ATOM 28055 H1 TIP3 1203 44.636 35.575 -4.778 1.00 0.00 WT2 H ATOM 28056 H2 TIP3 1203 45.181 36.210 -3.517 1.00 0.00 WT2 H ATOM 28057 OH2 TIP3 1205 69.789 31.916 -2.870 1.00 0.00 WT2 O ATOM 28058 H1 TIP3 1205 69.772 32.459 -3.658 1.00 0.00 WT2 H ATOM 28059 H2 TIP3 1205 68.936 32.062 -2.460 1.00 0.00 WT2 H ATOM 28060 OH2 TIP3 1208 66.289 72.822 -14.347 1.00 0.00 WT2 O ATOM 28061 H1 TIP3 1208 65.506 72.316 -14.568 1.00 0.00 WT2 H ATOM 28062 H2 TIP3 1208 66.850 72.204 -13.878 1.00 0.00 WT2 H ATOM 28063 OH2 TIP3 1219 59.096 7.028 64.296 1.00 0.00 WT2 O ATOM 28064 H1 TIP3 1219 58.273 7.502 64.177 1.00 0.00 WT2 H ATOM 28065 H2 TIP3 1219 59.775 7.691 64.170 1.00 0.00 WT2 H ATOM 28066 OH2 TIP3 1220 37.248 53.336 30.605 1.00 0.00 WT2 O ATOM 28067 H1 TIP3 1220 37.903 52.952 30.023 1.00 0.00 WT2 H ATOM 28068 H2 TIP3 1220 37.097 54.213 30.252 1.00 0.00 WT2 H ATOM 28069 OH2 TIP3 1222 33.268 56.187 24.089 1.00 0.00 WT2 O ATOM 28070 H1 TIP3 1222 33.352 55.307 23.720 1.00 0.00 WT2 H ATOM 28071 H2 TIP3 1222 34.155 56.545 24.059 1.00 0.00 WT2 H ATOM 28072 OH2 TIP3 1223 57.364 16.956 -14.988 1.00 0.00 WT2 O ATOM 28073 H1 TIP3 1223 57.091 16.808 -15.894 1.00 0.00 WT2 H ATOM 28074 H2 TIP3 1223 56.634 17.432 -14.593 1.00 0.00 WT2 H ATOM 28075 OH2 TIP3 1224 64.994 13.784 21.382 1.00 0.00 WT2 O ATOM 28076 H1 TIP3 1224 64.972 14.461 20.706 1.00 0.00 WT2 H ATOM 28077 H2 TIP3 1224 65.912 13.744 21.652 1.00 0.00 WT2 H ATOM 28078 OH2 TIP3 1225 21.790 72.208 61.111 1.00 0.00 WT2 O ATOM 28079 H1 TIP3 1225 21.124 72.067 61.785 1.00 0.00 WT2 H ATOM 28080 H2 TIP3 1225 22.614 71.964 61.533 1.00 0.00 WT2 H ATOM 28081 OH2 TIP3 1226 50.929 8.397 18.337 1.00 0.00 WT2 O ATOM 28082 H1 TIP3 1226 51.549 8.442 17.609 1.00 0.00 WT2 H ATOM 28083 H2 TIP3 1226 50.242 9.023 18.106 1.00 0.00 WT2 H ATOM 28084 OH2 TIP3 1227 68.873 24.090 59.764 1.00 0.00 WT2 O ATOM 28085 H1 TIP3 1227 68.606 24.987 59.965 1.00 0.00 WT2 H ATOM 28086 H2 TIP3 1227 68.055 23.637 59.556 1.00 0.00 WT2 H ATOM 28087 OH2 TIP3 1240 48.849 30.088 17.254 1.00 0.00 WT2 O ATOM 28088 H1 TIP3 1240 47.923 29.850 17.198 1.00 0.00 WT2 H ATOM 28089 H2 TIP3 1240 48.907 30.648 18.028 1.00 0.00 WT2 H ATOM 28090 OH2 TIP3 1241 41.920 95.185 48.994 1.00 0.00 WT2 O ATOM 28091 H1 TIP3 1241 41.099 95.212 48.502 1.00 0.00 WT2 H ATOM 28092 H2 TIP3 1241 42.124 94.253 49.070 1.00 0.00 WT2 H ATOM 28093 OH2 TIP3 1242 78.148 43.756 -5.903 1.00 0.00 WT2 O ATOM 28094 H1 TIP3 1242 77.944 44.437 -5.262 1.00 0.00 WT2 H ATOM 28095 H2 TIP3 1242 77.347 43.236 -5.964 1.00 0.00 WT2 H ATOM 28096 OH2 TIP3 1243 39.036 33.488 7.989 1.00 0.00 WT2 O ATOM 28097 H1 TIP3 1243 39.019 34.233 7.388 1.00 0.00 WT2 H ATOM 28098 H2 TIP3 1243 39.031 33.882 8.861 1.00 0.00 WT2 H ATOM 28099 OH2 TIP3 1244 85.290 25.202 -1.775 1.00 0.00 WT2 O ATOM 28100 H1 TIP3 1244 86.036 25.761 -1.559 1.00 0.00 WT2 H ATOM 28101 H2 TIP3 1244 84.577 25.813 -1.960 1.00 0.00 WT2 H ATOM 28102 OH2 TIP3 1247 84.259 25.014 13.861 1.00 0.00 WT2 O ATOM 28103 H1 TIP3 1247 84.154 25.903 13.521 1.00 0.00 WT2 H ATOM 28104 H2 TIP3 1247 85.143 24.759 13.596 1.00 0.00 WT2 H ATOM 28105 OH2 TIP3 1258 67.959 53.746 60.810 1.00 0.00 WT2 O ATOM 28106 H1 TIP3 1258 68.422 53.610 59.983 1.00 0.00 WT2 H ATOM 28107 H2 TIP3 1258 67.045 53.544 60.610 1.00 0.00 WT2 H ATOM 28108 OH2 TIP3 1263 80.492 72.410 62.298 1.00 0.00 WT2 O ATOM 28109 H1 TIP3 1263 80.590 73.344 62.483 1.00 0.00 WT2 H ATOM 28110 H2 TIP3 1263 80.987 72.273 61.489 1.00 0.00 WT2 H ATOM 28111 OH2 TIP3 1265 88.609 59.453 5.159 1.00 0.00 WT2 O ATOM 28112 H1 TIP3 1265 88.659 58.579 4.772 1.00 0.00 WT2 H ATOM 28113 H2 TIP3 1265 89.230 59.429 5.887 1.00 0.00 WT2 H ATOM 28114 OH2 TIP3 1266 47.458 44.097 7.089 1.00 0.00 WT2 O ATOM 28115 H1 TIP3 1266 47.102 43.631 7.845 1.00 0.00 WT2 H ATOM 28116 H2 TIP3 1266 48.327 43.718 6.960 1.00 0.00 WT2 H ATOM 28117 OH2 TIP3 1267 73.759 33.482 21.827 1.00 0.00 WT2 O ATOM 28118 H1 TIP3 1267 74.220 32.644 21.866 1.00 0.00 WT2 H ATOM 28119 H2 TIP3 1267 72.840 33.245 21.706 1.00 0.00 WT2 H ATOM 28120 OH2 TIP3 1268 68.044 27.935 57.549 1.00 0.00 WT2 O ATOM 28121 H1 TIP3 1268 67.123 28.114 57.738 1.00 0.00 WT2 H ATOM 28122 H2 TIP3 1268 68.036 27.096 57.087 1.00 0.00 WT2 H ATOM 28123 OH2 TIP3 1271 36.573 33.608 31.976 1.00 0.00 WT2 O ATOM 28124 H1 TIP3 1271 37.259 34.275 31.995 1.00 0.00 WT2 H ATOM 28125 H2 TIP3 1271 35.817 34.052 31.593 1.00 0.00 WT2 H ATOM 28126 OH2 TIP3 1281 78.914 89.304 47.701 1.00 0.00 WT2 O ATOM 28127 H1 TIP3 1281 78.580 89.950 47.078 1.00 0.00 WT2 H ATOM 28128 H2 TIP3 1281 78.325 89.369 48.453 1.00 0.00 WT2 H ATOM 28129 OH2 TIP3 1283 47.994 50.158 41.561 1.00 0.00 WT2 O ATOM 28130 H1 TIP3 1283 48.505 49.520 41.063 1.00 0.00 WT2 H ATOM 28131 H2 TIP3 1283 47.582 50.708 40.894 1.00 0.00 WT2 H ATOM 28132 OH2 TIP3 1284 83.355 75.772 -11.299 1.00 0.00 WT2 O ATOM 28133 H1 TIP3 1284 84.155 75.617 -10.796 1.00 0.00 WT2 H ATOM 28134 H2 TIP3 1284 83.161 76.699 -11.162 1.00 0.00 WT2 H ATOM 28135 OH2 TIP3 1285 51.074 61.111 65.897 1.00 0.00 WT2 O ATOM 28136 H1 TIP3 1285 51.464 60.278 66.161 1.00 0.00 WT2 H ATOM 28137 H2 TIP3 1285 51.461 61.297 65.042 1.00 0.00 WT2 H ATOM 28138 OH2 TIP3 1286 48.270 8.114 3.199 1.00 0.00 WT2 O ATOM 28139 H1 TIP3 1286 47.494 7.964 2.659 1.00 0.00 WT2 H ATOM 28140 H2 TIP3 1286 47.923 8.349 4.059 1.00 0.00 WT2 H ATOM 28141 OH2 TIP3 1301 83.510 23.456 42.008 1.00 0.00 WT2 O ATOM 28142 H1 TIP3 1301 82.582 23.516 42.235 1.00 0.00 WT2 H ATOM 28143 H2 TIP3 1301 83.844 24.345 42.123 1.00 0.00 WT2 H ATOM 28144 OH2 TIP3 1303 73.509 94.494 -15.009 1.00 0.00 WT2 O ATOM 28145 H1 TIP3 1303 73.033 93.838 -14.499 1.00 0.00 WT2 H ATOM 28146 H2 TIP3 1303 74.424 94.220 -14.956 1.00 0.00 WT2 H ATOM 28147 OH2 TIP3 1304 79.960 9.682 43.180 1.00 0.00 WT2 O ATOM 28148 H1 TIP3 1304 80.282 10.362 43.772 1.00 0.00 WT2 H ATOM 28149 H2 TIP3 1304 80.518 8.925 43.359 1.00 0.00 WT2 H ATOM 28150 OH2 TIP3 1305 21.205 4.375 32.265 1.00 0.00 WT2 O ATOM 28151 H1 TIP3 1305 21.536 4.444 31.369 1.00 0.00 WT2 H ATOM 28152 H2 TIP3 1305 20.473 4.990 32.299 1.00 0.00 WT2 H ATOM 28153 OH2 TIP3 1306 63.587 32.218 48.895 1.00 0.00 WT2 O ATOM 28154 H1 TIP3 1306 63.283 31.316 48.999 1.00 0.00 WT2 H ATOM 28155 H2 TIP3 1306 64.186 32.184 48.149 1.00 0.00 WT2 H ATOM 28156 OH2 TIP3 1307 53.095 85.769 -6.585 1.00 0.00 WT2 O ATOM 28157 H1 TIP3 1307 53.235 86.019 -7.498 1.00 0.00 WT2 H ATOM 28158 H2 TIP3 1307 52.201 85.429 -6.564 1.00 0.00 WT2 H ATOM 28159 OH2 TIP3 1308 65.924 58.044 19.978 1.00 0.00 WT2 O ATOM 28160 H1 TIP3 1308 65.724 58.091 19.043 1.00 0.00 WT2 H ATOM 28161 H2 TIP3 1308 65.098 57.787 20.387 1.00 0.00 WT2 H ATOM 28162 OH2 TIP3 1322 31.804 40.786 47.640 1.00 0.00 WT2 O ATOM 28163 H1 TIP3 1322 31.062 41.382 47.739 1.00 0.00 WT2 H ATOM 28164 H2 TIP3 1322 31.441 39.918 47.815 1.00 0.00 WT2 H ATOM 28165 OH2 TIP3 1324 42.467 58.525 44.495 1.00 0.00 WT2 O ATOM 28166 H1 TIP3 1324 42.474 57.669 44.068 1.00 0.00 WT2 H ATOM 28167 H2 TIP3 1324 42.237 59.140 43.798 1.00 0.00 WT2 H ATOM 28168 OH2 TIP3 1326 89.644 19.487 53.497 1.00 0.00 WT2 O ATOM 28169 H1 TIP3 1326 90.501 19.094 53.328 1.00 0.00 WT2 H ATOM 28170 H2 TIP3 1326 89.804 20.119 54.198 1.00 0.00 WT2 H ATOM 28171 OH2 TIP3 1327 88.739 24.099 50.708 1.00 0.00 WT2 O ATOM 28172 H1 TIP3 1327 89.658 23.839 50.654 1.00 0.00 WT2 H ATOM 28173 H2 TIP3 1327 88.391 23.599 51.447 1.00 0.00 WT2 H ATOM 28174 OH2 TIP3 1328 53.973 13.538 27.922 1.00 0.00 WT2 O ATOM 28175 H1 TIP3 1328 54.018 14.428 27.572 1.00 0.00 WT2 H ATOM 28176 H2 TIP3 1328 53.151 13.514 28.412 1.00 0.00 WT2 H ATOM 28177 OH2 TIP3 1329 51.952 1.995 39.420 1.00 0.00 WT2 O ATOM 28178 H1 TIP3 1329 52.142 1.270 40.016 1.00 0.00 WT2 H ATOM 28179 H2 TIP3 1329 52.574 1.883 38.701 1.00 0.00 WT2 H ATOM 28180 OH2 TIP3 1330 82.705 44.462 63.916 1.00 0.00 WT2 O ATOM 28181 H1 TIP3 1330 82.070 44.931 64.458 1.00 0.00 WT2 H ATOM 28182 H2 TIP3 1330 82.532 44.767 63.025 1.00 0.00 WT2 H ATOM 28183 OH2 TIP3 1333 23.017 39.465 36.338 1.00 0.00 WT2 O ATOM 28184 H1 TIP3 1333 23.138 40.103 35.634 1.00 0.00 WT2 H ATOM 28185 H2 TIP3 1333 22.083 39.260 36.319 1.00 0.00 WT2 H ATOM 28186 OH2 TIP3 1344 54.970 71.785 -16.827 1.00 0.00 WT2 O ATOM 28187 H1 TIP3 1344 54.483 72.607 -16.770 1.00 0.00 WT2 H ATOM 28188 H2 TIP3 1344 54.362 71.173 -17.241 1.00 0.00 WT2 H ATOM 28189 OH2 TIP3 1345 26.886 62.763 48.133 1.00 0.00 WT2 O ATOM 28190 H1 TIP3 1345 27.106 62.922 49.051 1.00 0.00 WT2 H ATOM 28191 H2 TIP3 1345 27.607 63.156 47.642 1.00 0.00 WT2 H ATOM 28192 OH2 TIP3 1346 45.965 4.973 42.248 1.00 0.00 WT2 O ATOM 28193 H1 TIP3 1346 45.964 5.851 42.629 1.00 0.00 WT2 H ATOM 28194 H2 TIP3 1346 46.423 4.432 42.891 1.00 0.00 WT2 H ATOM 28195 OH2 TIP3 1347 22.872 11.580 38.186 1.00 0.00 WT2 O ATOM 28196 H1 TIP3 1347 23.534 10.900 38.063 1.00 0.00 WT2 H ATOM 28197 H2 TIP3 1347 23.331 12.281 38.648 1.00 0.00 WT2 H ATOM 28198 OH2 TIP3 1349 33.652 35.593 62.120 1.00 0.00 WT2 O ATOM 28199 H1 TIP3 1349 33.902 35.541 61.198 1.00 0.00 WT2 H ATOM 28200 H2 TIP3 1349 34.231 34.971 62.561 1.00 0.00 WT2 H ATOM 28201 OH2 TIP3 1350 81.435 14.903 44.452 1.00 0.00 WT2 O ATOM 28202 H1 TIP3 1350 81.782 15.723 44.803 1.00 0.00 WT2 H ATOM 28203 H2 TIP3 1350 81.914 14.771 43.633 1.00 0.00 WT2 H ATOM 28204 OH2 TIP3 1351 88.366 10.327 -14.458 1.00 0.00 WT2 O ATOM 28205 H1 TIP3 1351 87.729 10.019 -13.813 1.00 0.00 WT2 H ATOM 28206 H2 TIP3 1351 89.040 10.767 -13.940 1.00 0.00 WT2 H ATOM 28207 OH2 TIP3 1352 65.027 84.490 -2.886 1.00 0.00 WT2 O ATOM 28208 H1 TIP3 1352 64.781 85.132 -3.552 1.00 0.00 WT2 H ATOM 28209 H2 TIP3 1352 64.371 83.797 -2.966 1.00 0.00 WT2 H ATOM 28210 OH2 TIP3 1353 74.437 61.439 -15.358 1.00 0.00 WT2 O ATOM 28211 H1 TIP3 1353 75.277 61.864 -15.527 1.00 0.00 WT2 H ATOM 28212 H2 TIP3 1353 73.848 62.156 -15.121 1.00 0.00 WT2 H ATOM 28213 OH2 TIP3 1354 23.691 29.877 -10.378 1.00 0.00 WT2 O ATOM 28214 H1 TIP3 1354 23.008 30.439 -10.744 1.00 0.00 WT2 H ATOM 28215 H2 TIP3 1354 23.343 28.990 -10.463 1.00 0.00 WT2 H ATOM 28216 OH2 TIP3 1367 76.626 9.344 39.630 1.00 0.00 WT2 O ATOM 28217 H1 TIP3 1367 76.383 9.659 40.500 1.00 0.00 WT2 H ATOM 28218 H2 TIP3 1367 75.835 9.461 39.103 1.00 0.00 WT2 H ATOM 28219 OH2 TIP3 1368 44.163 81.163 17.870 1.00 0.00 WT2 O ATOM 28220 H1 TIP3 1368 44.313 80.218 17.828 1.00 0.00 WT2 H ATOM 28221 H2 TIP3 1368 43.422 81.262 18.467 1.00 0.00 WT2 H ATOM 28222 OH2 TIP3 1370 80.487 67.278 32.994 1.00 0.00 WT2 O ATOM 28223 H1 TIP3 1370 79.631 67.679 32.841 1.00 0.00 WT2 H ATOM 28224 H2 TIP3 1370 80.473 67.029 33.918 1.00 0.00 WT2 H ATOM 28225 OH2 TIP3 1371 59.722 51.288 -13.469 1.00 0.00 WT2 O ATOM 28226 H1 TIP3 1371 59.813 50.335 -13.493 1.00 0.00 WT2 H ATOM 28227 H2 TIP3 1371 60.211 51.556 -12.692 1.00 0.00 WT2 H ATOM 28228 OH2 TIP3 1373 60.722 33.176 32.423 1.00 0.00 WT2 O ATOM 28229 H1 TIP3 1373 60.952 34.104 32.393 1.00 0.00 WT2 H ATOM 28230 H2 TIP3 1373 60.073 33.067 31.728 1.00 0.00 WT2 H ATOM 28231 OH2 TIP3 1374 20.491 81.098 47.597 1.00 0.00 WT2 O ATOM 28232 H1 TIP3 1374 21.249 81.623 47.344 1.00 0.00 WT2 H ATOM 28233 H2 TIP3 1374 20.225 80.655 46.791 1.00 0.00 WT2 H ATOM 28234 OH2 TIP3 1375 80.598 25.991 38.432 1.00 0.00 WT2 O ATOM 28235 H1 TIP3 1375 80.125 26.344 37.679 1.00 0.00 WT2 H ATOM 28236 H2 TIP3 1375 81.499 25.893 38.124 1.00 0.00 WT2 H ATOM 28237 OH2 TIP3 1386 81.655 28.586 -0.963 1.00 0.00 WT2 O ATOM 28238 H1 TIP3 1386 80.921 28.370 -0.388 1.00 0.00 WT2 H ATOM 28239 H2 TIP3 1386 81.349 29.339 -1.469 1.00 0.00 WT2 H ATOM 28240 OH2 TIP3 1387 24.467 74.593 57.362 1.00 0.00 WT2 O ATOM 28241 H1 TIP3 1387 23.911 74.469 58.131 1.00 0.00 WT2 H ATOM 28242 H2 TIP3 1387 25.069 73.849 57.379 1.00 0.00 WT2 H ATOM 28243 OH2 TIP3 1388 67.724 37.945 -14.604 1.00 0.00 WT2 O ATOM 28244 H1 TIP3 1388 68.656 37.868 -14.811 1.00 0.00 WT2 H ATOM 28245 H2 TIP3 1388 67.375 37.064 -14.740 1.00 0.00 WT2 H ATOM 28246 OH2 TIP3 1389 55.740 18.200 20.889 1.00 0.00 WT2 O ATOM 28247 H1 TIP3 1389 55.213 18.369 20.108 1.00 0.00 WT2 H ATOM 28248 H2 TIP3 1389 56.021 19.067 21.181 1.00 0.00 WT2 H ATOM 28249 OH2 TIP3 1392 34.611 0.008 5.143 1.00 0.00 WT2 O ATOM 28250 H1 TIP3 1392 34.283 0.890 5.318 1.00 0.00 WT2 H ATOM 28251 H2 TIP3 1392 33.969 -0.372 4.542 1.00 0.00 WT2 H ATOM 28252 OH2 TIP3 1393 23.269 82.780 47.450 1.00 0.00 WT2 O ATOM 28253 H1 TIP3 1393 23.253 83.710 47.226 1.00 0.00 WT2 H ATOM 28254 H2 TIP3 1393 24.134 82.641 47.836 1.00 0.00 WT2 H ATOM 28255 OH2 TIP3 1407 22.438 29.155 62.680 1.00 0.00 WT2 O ATOM 28256 H1 TIP3 1407 21.999 28.958 63.507 1.00 0.00 WT2 H ATOM 28257 H2 TIP3 1407 23.128 29.776 62.917 1.00 0.00 WT2 H ATOM 28258 OH2 TIP3 1408 22.987 41.577 34.580 1.00 0.00 WT2 O ATOM 28259 H1 TIP3 1408 22.538 42.165 35.187 1.00 0.00 WT2 H ATOM 28260 H2 TIP3 1408 23.559 42.150 34.070 1.00 0.00 WT2 H ATOM 28261 OH2 TIP3 1411 21.659 30.085 -16.176 1.00 0.00 WT2 O ATOM 28262 H1 TIP3 1411 21.024 29.636 -15.618 1.00 0.00 WT2 H ATOM 28263 H2 TIP3 1411 21.167 30.312 -16.965 1.00 0.00 WT2 H ATOM 28264 OH2 TIP3 1412 32.248 6.053 23.614 1.00 0.00 WT2 O ATOM 28265 H1 TIP3 1412 32.913 6.519 24.121 1.00 0.00 WT2 H ATOM 28266 H2 TIP3 1412 31.488 6.011 24.195 1.00 0.00 WT2 H ATOM 28267 OH2 TIP3 1413 48.906 8.149 43.251 1.00 0.00 WT2 O ATOM 28268 H1 TIP3 1413 49.039 7.666 44.067 1.00 0.00 WT2 H ATOM 28269 H2 TIP3 1413 49.055 7.502 42.562 1.00 0.00 WT2 H ATOM 28270 OH2 TIP3 1414 81.757 85.345 56.707 1.00 0.00 WT2 O ATOM 28271 H1 TIP3 1414 81.932 84.726 55.998 1.00 0.00 WT2 H ATOM 28272 H2 TIP3 1414 81.753 86.202 56.283 1.00 0.00 WT2 H ATOM 28273 OH2 TIP3 1415 46.616 63.989 -1.352 1.00 0.00 WT2 O ATOM 28274 H1 TIP3 1415 47.355 63.995 -1.960 1.00 0.00 WT2 H ATOM 28275 H2 TIP3 1415 46.645 63.122 -0.948 1.00 0.00 WT2 H ATOM 28276 OH2 TIP3 1418 33.192 39.681 -19.311 1.00 0.00 WT2 O ATOM 28277 H1 TIP3 1418 33.770 39.398 -18.603 1.00 0.00 WT2 H ATOM 28278 H2 TIP3 1418 33.686 40.365 -19.765 1.00 0.00 WT2 H ATOM 28279 OH2 TIP3 1425 34.216 86.598 35.217 1.00 0.00 WT2 O ATOM 28280 H1 TIP3 1425 33.811 86.080 34.522 1.00 0.00 WT2 H ATOM 28281 H2 TIP3 1425 34.943 86.057 35.526 1.00 0.00 WT2 H ATOM 28282 OH2 TIP3 1427 58.145 9.274 47.420 1.00 0.00 WT2 O ATOM 28283 H1 TIP3 1427 58.387 9.392 48.338 1.00 0.00 WT2 H ATOM 28284 H2 TIP3 1427 57.339 8.758 47.449 1.00 0.00 WT2 H ATOM 28285 OH2 TIP3 1428 56.663 69.354 -16.718 1.00 0.00 WT2 O ATOM 28286 H1 TIP3 1428 56.065 70.072 -16.925 1.00 0.00 WT2 H ATOM 28287 H2 TIP3 1428 56.373 69.038 -15.862 1.00 0.00 WT2 H ATOM 28288 OH2 TIP3 1429 85.190 71.654 19.623 1.00 0.00 WT2 O ATOM 28289 H1 TIP3 1429 84.900 70.988 20.247 1.00 0.00 WT2 H ATOM 28290 H2 TIP3 1429 84.430 72.225 19.511 1.00 0.00 WT2 H ATOM 28291 OH2 TIP3 1430 67.094 4.475 46.278 1.00 0.00 WT2 O ATOM 28292 H1 TIP3 1430 67.358 5.335 45.950 1.00 0.00 WT2 H ATOM 28293 H2 TIP3 1430 67.015 4.593 47.225 1.00 0.00 WT2 H ATOM 28294 OH2 TIP3 1431 61.733 20.916 57.337 1.00 0.00 WT2 O ATOM 28295 H1 TIP3 1431 61.222 21.431 56.713 1.00 0.00 WT2 H ATOM 28296 H2 TIP3 1431 61.150 20.201 57.592 1.00 0.00 WT2 H ATOM 28297 OH2 TIP3 1432 56.370 70.521 -3.923 1.00 0.00 WT2 O ATOM 28298 H1 TIP3 1432 55.513 70.861 -3.663 1.00 0.00 WT2 H ATOM 28299 H2 TIP3 1432 56.203 69.612 -4.169 1.00 0.00 WT2 H ATOM 28300 OH2 TIP3 1433 80.216 68.740 50.606 1.00 0.00 WT2 O ATOM 28301 H1 TIP3 1433 81.136 68.985 50.706 1.00 0.00 WT2 H ATOM 28302 H2 TIP3 1433 80.239 67.911 50.128 1.00 0.00 WT2 H ATOM 28303 OH2 TIP3 1435 51.866 12.666 31.659 1.00 0.00 WT2 O ATOM 28304 H1 TIP3 1435 51.884 12.759 32.611 1.00 0.00 WT2 H ATOM 28305 H2 TIP3 1435 51.377 13.429 31.352 1.00 0.00 WT2 H ATOM 28306 OH2 TIP3 1440 86.264 49.701 12.102 1.00 0.00 WT2 O ATOM 28307 H1 TIP3 1440 86.862 49.862 11.371 1.00 0.00 WT2 H ATOM 28308 H2 TIP3 1440 86.324 48.759 12.257 1.00 0.00 WT2 H ATOM 28309 OH2 TIP3 1450 40.871 29.442 47.725 1.00 0.00 WT2 O ATOM 28310 H1 TIP3 1450 39.940 29.661 47.703 1.00 0.00 WT2 H ATOM 28311 H2 TIP3 1450 41.037 29.008 46.888 1.00 0.00 WT2 H ATOM 28312 OH2 TIP3 1451 27.658 4.737 21.427 1.00 0.00 WT2 O ATOM 28313 H1 TIP3 1451 27.174 3.927 21.268 1.00 0.00 WT2 H ATOM 28314 H2 TIP3 1451 27.134 5.417 21.004 1.00 0.00 WT2 H ATOM 28315 OH2 TIP3 1452 66.658 11.019 59.701 1.00 0.00 WT2 O ATOM 28316 H1 TIP3 1452 66.527 11.965 59.642 1.00 0.00 WT2 H ATOM 28317 H2 TIP3 1452 66.535 10.817 60.629 1.00 0.00 WT2 H ATOM 28318 OH2 TIP3 1453 86.156 73.380 -13.240 1.00 0.00 WT2 O ATOM 28319 H1 TIP3 1453 86.339 73.697 -12.356 1.00 0.00 WT2 H ATOM 28320 H2 TIP3 1453 85.214 73.213 -13.246 1.00 0.00 WT2 H ATOM 28321 OH2 TIP3 1454 46.268 17.250 1.821 1.00 0.00 WT2 O ATOM 28322 H1 TIP3 1454 46.114 17.989 1.233 1.00 0.00 WT2 H ATOM 28323 H2 TIP3 1454 46.765 17.622 2.550 1.00 0.00 WT2 H ATOM 28324 OH2 TIP3 1457 53.477 28.449 37.401 1.00 0.00 WT2 O ATOM 28325 H1 TIP3 1457 52.980 28.115 36.654 1.00 0.00 WT2 H ATOM 28326 H2 TIP3 1457 54.370 28.546 37.071 1.00 0.00 WT2 H ATOM 28327 OH2 TIP3 1458 60.597 38.406 57.978 1.00 0.00 WT2 O ATOM 28328 H1 TIP3 1458 60.313 39.306 57.819 1.00 0.00 WT2 H ATOM 28329 H2 TIP3 1458 60.747 38.044 57.104 1.00 0.00 WT2 H ATOM 28330 OH2 TIP3 1466 29.639 45.082 57.953 1.00 0.00 WT2 O ATOM 28331 H1 TIP3 1466 30.073 45.846 58.332 1.00 0.00 WT2 H ATOM 28332 H2 TIP3 1466 30.203 44.821 57.225 1.00 0.00 WT2 H ATOM 28333 OH2 TIP3 1471 68.555 32.631 7.044 1.00 0.00 WT2 O ATOM 28334 H1 TIP3 1471 68.323 33.397 7.569 1.00 0.00 WT2 H ATOM 28335 H2 TIP3 1471 67.896 32.605 6.351 1.00 0.00 WT2 H ATOM 28336 OH2 TIP3 1474 35.089 13.427 57.292 1.00 0.00 WT2 O ATOM 28337 H1 TIP3 1474 34.488 12.775 56.931 1.00 0.00 WT2 H ATOM 28338 H2 TIP3 1474 34.994 14.185 56.716 1.00 0.00 WT2 H ATOM 28339 OH2 TIP3 1477 90.254 30.302 30.070 1.00 0.00 WT2 O ATOM 28340 H1 TIP3 1477 89.986 31.097 29.609 1.00 0.00 WT2 H ATOM 28341 H2 TIP3 1477 91.039 30.009 29.607 1.00 0.00 WT2 H ATOM 28342 OH2 TIP3 1478 54.857 37.953 -11.484 1.00 0.00 WT2 O ATOM 28343 H1 TIP3 1478 55.618 38.492 -11.271 1.00 0.00 WT2 H ATOM 28344 H2 TIP3 1478 54.119 38.406 -11.076 1.00 0.00 WT2 H ATOM 28345 OH2 TIP3 1480 40.004 27.624 -14.259 1.00 0.00 WT2 O ATOM 28346 H1 TIP3 1480 39.308 27.005 -14.041 1.00 0.00 WT2 H ATOM 28347 H2 TIP3 1480 39.813 27.895 -15.157 1.00 0.00 WT2 H ATOM 28348 OH2 TIP3 1492 25.097 45.768 45.063 1.00 0.00 WT2 O ATOM 28349 H1 TIP3 1492 24.343 46.049 44.544 1.00 0.00 WT2 H ATOM 28350 H2 TIP3 1492 25.728 46.482 44.976 1.00 0.00 WT2 H ATOM 28351 OH2 TIP3 1493 22.029 85.485 28.007 1.00 0.00 WT2 O ATOM 28352 H1 TIP3 1493 22.413 86.037 28.688 1.00 0.00 WT2 H ATOM 28353 H2 TIP3 1493 21.761 86.099 27.323 1.00 0.00 WT2 H ATOM 28354 OH2 TIP3 1494 24.674 73.476 41.484 1.00 0.00 WT2 O ATOM 28355 H1 TIP3 1494 24.600 74.318 41.933 1.00 0.00 WT2 H ATOM 28356 H2 TIP3 1494 25.181 72.928 42.083 1.00 0.00 WT2 H ATOM 28357 OH2 TIP3 1496 73.391 13.508 9.774 1.00 0.00 WT2 O ATOM 28358 H1 TIP3 1496 73.215 13.832 8.891 1.00 0.00 WT2 H ATOM 28359 H2 TIP3 1496 73.859 14.224 10.204 1.00 0.00 WT2 H ATOM 28360 OH2 TIP3 1497 63.016 38.684 -19.802 1.00 0.00 WT2 O ATOM 28361 H1 TIP3 1497 63.298 39.480 -19.351 1.00 0.00 WT2 H ATOM 28362 H2 TIP3 1497 62.060 38.715 -19.766 1.00 0.00 WT2 H ATOM 28363 OH2 TIP3 1499 35.928 34.057 17.546 1.00 0.00 WT2 O ATOM 28364 H1 TIP3 1499 36.466 33.584 16.911 1.00 0.00 WT2 H ATOM 28365 H2 TIP3 1499 36.539 34.646 17.987 1.00 0.00 WT2 H ATOM 28366 OH2 TIP3 1512 20.357 92.529 48.055 1.00 0.00 WT2 O ATOM 28367 H1 TIP3 1512 21.303 92.675 48.084 1.00 0.00 WT2 H ATOM 28368 H2 TIP3 1512 20.199 91.845 48.706 1.00 0.00 WT2 H ATOM 28369 OH2 TIP3 1514 21.484 68.975 44.408 1.00 0.00 WT2 O ATOM 28370 H1 TIP3 1514 21.861 68.414 43.730 1.00 0.00 WT2 H ATOM 28371 H2 TIP3 1514 20.564 69.064 44.161 1.00 0.00 WT2 H ATOM 28372 OH2 TIP3 1515 65.097 12.541 35.679 1.00 0.00 WT2 O ATOM 28373 H1 TIP3 1515 65.183 12.649 34.732 1.00 0.00 WT2 H ATOM 28374 H2 TIP3 1515 64.153 12.514 35.833 1.00 0.00 WT2 H ATOM 28375 OH2 TIP3 1519 80.440 0.666 -10.106 1.00 0.00 WT2 O ATOM 28376 H1 TIP3 1519 80.159 0.978 -9.246 1.00 0.00 WT2 H ATOM 28377 H2 TIP3 1519 79.757 0.966 -10.705 1.00 0.00 WT2 H ATOM 28378 OH2 TIP3 1531 33.580 21.072 2.577 1.00 0.00 WT2 O ATOM 28379 H1 TIP3 1531 34.155 21.838 2.587 1.00 0.00 WT2 H ATOM 28380 H2 TIP3 1531 33.881 20.537 3.313 1.00 0.00 WT2 H ATOM 28381 OH2 TIP3 1532 37.279 22.616 47.623 1.00 0.00 WT2 O ATOM 28382 H1 TIP3 1532 36.420 22.750 48.023 1.00 0.00 WT2 H ATOM 28383 H2 TIP3 1532 37.284 21.693 47.368 1.00 0.00 WT2 H ATOM 28384 OH2 TIP3 1534 41.319 7.785 37.062 1.00 0.00 WT2 O ATOM 28385 H1 TIP3 1534 41.158 7.902 37.998 1.00 0.00 WT2 H ATOM 28386 H2 TIP3 1534 41.872 8.527 36.819 1.00 0.00 WT2 H ATOM 28387 OH2 TIP3 1535 68.449 60.610 60.170 1.00 0.00 WT2 O ATOM 28388 H1 TIP3 1535 67.715 61.056 60.591 1.00 0.00 WT2 H ATOM 28389 H2 TIP3 1535 68.845 61.276 59.609 1.00 0.00 WT2 H ATOM 28390 OH2 TIP3 1536 62.539 64.329 58.944 1.00 0.00 WT2 O ATOM 28391 H1 TIP3 1536 61.625 64.614 58.941 1.00 0.00 WT2 H ATOM 28392 H2 TIP3 1536 62.604 63.723 58.206 1.00 0.00 WT2 H ATOM 28393 OH2 TIP3 1537 77.095 24.964 50.269 1.00 0.00 WT2 O ATOM 28394 H1 TIP3 1537 77.768 25.641 50.195 1.00 0.00 WT2 H ATOM 28395 H2 TIP3 1537 77.442 24.225 49.769 1.00 0.00 WT2 H ATOM 28396 OH2 TIP3 1538 23.126 57.450 -17.466 1.00 0.00 WT2 O ATOM 28397 H1 TIP3 1538 22.194 57.657 -17.537 1.00 0.00 WT2 H ATOM 28398 H2 TIP3 1538 23.448 58.025 -16.772 1.00 0.00 WT2 H ATOM 28399 OH2 TIP3 1539 67.210 36.814 16.954 1.00 0.00 WT2 O ATOM 28400 H1 TIP3 1539 67.104 35.952 16.552 1.00 0.00 WT2 H ATOM 28401 H2 TIP3 1539 66.499 37.340 16.587 1.00 0.00 WT2 H ATOM 28402 OH2 TIP3 1540 53.501 64.435 38.914 1.00 0.00 WT2 O ATOM 28403 H1 TIP3 1540 52.868 64.645 38.228 1.00 0.00 WT2 H ATOM 28404 H2 TIP3 1540 53.473 63.480 38.982 1.00 0.00 WT2 H ATOM 28405 OH2 TIP3 1551 86.886 26.066 -16.452 1.00 0.00 WT2 O ATOM 28406 H1 TIP3 1551 86.737 25.141 -16.648 1.00 0.00 WT2 H ATOM 28407 H2 TIP3 1551 87.155 26.076 -15.533 1.00 0.00 WT2 H ATOM 28408 OH2 TIP3 1552 56.534 45.818 50.565 1.00 0.00 WT2 O ATOM 28409 H1 TIP3 1552 56.350 45.804 51.504 1.00 0.00 WT2 H ATOM 28410 H2 TIP3 1552 56.582 46.748 50.344 1.00 0.00 WT2 H ATOM 28411 OH2 TIP3 1555 43.271 92.828 -18.310 1.00 0.00 WT2 O ATOM 28412 H1 TIP3 1555 43.332 93.650 -17.824 1.00 0.00 WT2 H ATOM 28413 H2 TIP3 1555 44.121 92.408 -18.180 1.00 0.00 WT2 H ATOM 28414 OH2 TIP3 1558 65.439 17.551 51.548 1.00 0.00 WT2 O ATOM 28415 H1 TIP3 1558 64.613 18.016 51.415 1.00 0.00 WT2 H ATOM 28416 H2 TIP3 1558 65.275 16.671 51.209 1.00 0.00 WT2 H ATOM 28417 OH2 TIP3 1559 82.055 39.789 54.600 1.00 0.00 WT2 O ATOM 28418 H1 TIP3 1559 82.241 40.334 55.364 1.00 0.00 WT2 H ATOM 28419 H2 TIP3 1559 81.197 40.087 54.295 1.00 0.00 WT2 H ATOM 28420 OH2 TIP3 1560 90.660 50.130 -4.615 1.00 0.00 WT2 O ATOM 28421 H1 TIP3 1560 90.002 49.435 -4.621 1.00 0.00 WT2 H ATOM 28422 H2 TIP3 1560 90.750 50.367 -3.692 1.00 0.00 WT2 H ATOM 28423 OH2 TIP3 1561 69.579 26.741 -3.793 1.00 0.00 WT2 O ATOM 28424 H1 TIP3 1561 68.928 26.044 -3.880 1.00 0.00 WT2 H ATOM 28425 H2 TIP3 1561 70.420 26.284 -3.779 1.00 0.00 WT2 H ATOM 28426 OH2 TIP3 1576 26.589 64.992 36.211 1.00 0.00 WT2 O ATOM 28427 H1 TIP3 1576 27.208 65.260 35.531 1.00 0.00 WT2 H ATOM 28428 H2 TIP3 1576 25.990 64.393 35.767 1.00 0.00 WT2 H ATOM 28429 OH2 TIP3 1577 55.925 31.948 58.525 1.00 0.00 WT2 O ATOM 28430 H1 TIP3 1577 55.844 32.231 57.614 1.00 0.00 WT2 H ATOM 28431 H2 TIP3 1577 55.341 32.531 59.010 1.00 0.00 WT2 H ATOM 28432 OH2 TIP3 1578 31.616 69.111 42.990 1.00 0.00 WT2 O ATOM 28433 H1 TIP3 1578 32.354 68.510 42.893 1.00 0.00 WT2 H ATOM 28434 H2 TIP3 1578 31.792 69.578 43.807 1.00 0.00 WT2 H ATOM 28435 OH2 TIP3 1579 49.671 53.928 -19.407 1.00 0.00 WT2 O ATOM 28436 H1 TIP3 1579 49.194 53.102 -19.499 1.00 0.00 WT2 H ATOM 28437 H2 TIP3 1579 50.306 53.762 -18.711 1.00 0.00 WT2 H ATOM 28438 OH2 TIP3 1580 47.603 53.684 5.819 1.00 0.00 WT2 O ATOM 28439 H1 TIP3 1580 48.008 54.285 6.444 1.00 0.00 WT2 H ATOM 28440 H2 TIP3 1580 48.226 53.636 5.094 1.00 0.00 WT2 H ATOM 28441 OH2 TIP3 1582 35.339 35.803 22.047 1.00 0.00 WT2 O ATOM 28442 H1 TIP3 1582 36.134 35.607 22.543 1.00 0.00 WT2 H ATOM 28443 H2 TIP3 1582 35.568 36.566 21.517 1.00 0.00 WT2 H ATOM 28444 OH2 TIP3 1583 21.626 25.859 12.465 1.00 0.00 WT2 O ATOM 28445 H1 TIP3 1583 22.254 25.297 12.011 1.00 0.00 WT2 H ATOM 28446 H2 TIP3 1583 21.684 25.590 13.382 1.00 0.00 WT2 H ATOM 28447 OH2 TIP3 1599 42.790 30.225 64.646 1.00 0.00 WT2 O ATOM 28448 H1 TIP3 1599 42.463 29.337 64.505 1.00 0.00 WT2 H ATOM 28449 H2 TIP3 1599 42.751 30.635 63.782 1.00 0.00 WT2 H ATOM 28450 OH2 TIP3 1601 57.280 67.805 65.691 1.00 0.00 WT2 O ATOM 28451 H1 TIP3 1601 57.763 68.599 65.465 1.00 0.00 WT2 H ATOM 28452 H2 TIP3 1601 56.701 67.654 64.943 1.00 0.00 WT2 H ATOM 28453 OH2 TIP3 1604 57.525 36.143 60.849 1.00 0.00 WT2 O ATOM 28454 H1 TIP3 1604 57.769 36.861 60.265 1.00 0.00 WT2 H ATOM 28455 H2 TIP3 1604 57.684 36.485 61.729 1.00 0.00 WT2 H ATOM 28456 OH2 TIP3 1605 76.516 33.985 61.841 1.00 0.00 WT2 O ATOM 28457 H1 TIP3 1605 76.101 34.068 62.700 1.00 0.00 WT2 H ATOM 28458 H2 TIP3 1605 75.836 34.242 61.219 1.00 0.00 WT2 H ATOM 28459 OH2 TIP3 1616 34.799 13.388 -15.253 1.00 0.00 WT2 O ATOM 28460 H1 TIP3 1616 34.398 14.248 -15.383 1.00 0.00 WT2 H ATOM 28461 H2 TIP3 1616 34.472 13.097 -14.402 1.00 0.00 WT2 H ATOM 28462 OH2 TIP3 1617 63.562 59.556 60.921 1.00 0.00 WT2 O ATOM 28463 H1 TIP3 1617 63.498 59.989 60.070 1.00 0.00 WT2 H ATOM 28464 H2 TIP3 1617 63.752 60.264 61.537 1.00 0.00 WT2 H ATOM 28465 OH2 TIP3 1618 25.643 61.201 23.272 1.00 0.00 WT2 O ATOM 28466 H1 TIP3 1618 26.470 60.732 23.157 1.00 0.00 WT2 H ATOM 28467 H2 TIP3 1618 25.379 61.443 22.385 1.00 0.00 WT2 H ATOM 28468 OH2 TIP3 1620 38.153 70.031 67.379 1.00 0.00 WT2 O ATOM 28469 H1 TIP3 1620 38.006 70.975 67.331 1.00 0.00 WT2 H ATOM 28470 H2 TIP3 1620 39.027 69.905 67.009 1.00 0.00 WT2 H ATOM 28471 OH2 TIP3 1621 23.536 24.345 11.106 1.00 0.00 WT2 O ATOM 28472 H1 TIP3 1621 24.208 24.736 10.548 1.00 0.00 WT2 H ATOM 28473 H2 TIP3 1621 23.967 24.225 11.952 1.00 0.00 WT2 H ATOM 28474 OH2 TIP3 1622 82.505 41.757 49.096 1.00 0.00 WT2 O ATOM 28475 H1 TIP3 1622 81.921 41.598 48.354 1.00 0.00 WT2 H ATOM 28476 H2 TIP3 1622 81.933 42.102 49.781 1.00 0.00 WT2 H ATOM 28477 OH2 TIP3 1623 31.572 27.956 66.273 1.00 0.00 WT2 O ATOM 28478 H1 TIP3 1623 31.237 27.759 67.148 1.00 0.00 WT2 H ATOM 28479 H2 TIP3 1623 32.166 27.232 66.075 1.00 0.00 WT2 H ATOM 28480 OH2 TIP3 1624 34.700 84.316 -17.778 1.00 0.00 WT2 O ATOM 28481 H1 TIP3 1624 35.132 84.795 -18.486 1.00 0.00 WT2 H ATOM 28482 H2 TIP3 1624 35.377 84.217 -17.108 1.00 0.00 WT2 H ATOM 28483 OH2 TIP3 1625 23.662 87.681 59.169 1.00 0.00 WT2 O ATOM 28484 H1 TIP3 1625 24.199 88.003 59.893 1.00 0.00 WT2 H ATOM 28485 H2 TIP3 1625 22.825 88.134 59.271 1.00 0.00 WT2 H ATOM 28486 OH2 TIP3 1628 74.243 59.587 5.521 1.00 0.00 WT2 O ATOM 28487 H1 TIP3 1628 74.433 60.502 5.316 1.00 0.00 WT2 H ATOM 28488 H2 TIP3 1628 74.899 59.346 6.174 1.00 0.00 WT2 H ATOM 28489 OH2 TIP3 1638 32.325 75.862 26.357 1.00 0.00 WT2 O ATOM 28490 H1 TIP3 1638 32.264 76.726 25.951 1.00 0.00 WT2 H ATOM 28491 H2 TIP3 1638 32.128 76.015 27.281 1.00 0.00 WT2 H ATOM 28492 OH2 TIP3 1639 65.724 68.359 66.518 1.00 0.00 WT2 O ATOM 28493 H1 TIP3 1639 66.636 68.643 66.469 1.00 0.00 WT2 H ATOM 28494 H2 TIP3 1639 65.217 69.139 66.294 1.00 0.00 WT2 H ATOM 28495 OH2 TIP3 1640 57.234 1.656 41.609 1.00 0.00 WT2 O ATOM 28496 H1 TIP3 1640 57.019 0.724 41.633 1.00 0.00 WT2 H ATOM 28497 H2 TIP3 1640 57.954 1.721 40.982 1.00 0.00 WT2 H ATOM 28498 OH2 TIP3 1641 62.684 6.056 46.022 1.00 0.00 WT2 O ATOM 28499 H1 TIP3 1641 62.779 5.562 45.207 1.00 0.00 WT2 H ATOM 28500 H2 TIP3 1641 61.925 5.663 46.453 1.00 0.00 WT2 H ATOM 28501 OH2 TIP3 1643 74.887 60.362 48.138 1.00 0.00 WT2 O ATOM 28502 H1 TIP3 1643 74.782 60.685 49.033 1.00 0.00 WT2 H ATOM 28503 H2 TIP3 1643 75.466 61.000 47.720 1.00 0.00 WT2 H ATOM 28504 OH2 TIP3 1645 30.223 74.101 41.754 1.00 0.00 WT2 O ATOM 28505 H1 TIP3 1645 30.981 73.950 41.189 1.00 0.00 WT2 H ATOM 28506 H2 TIP3 1645 29.549 73.511 41.415 1.00 0.00 WT2 H ATOM 28507 OH2 TIP3 1647 42.758 19.799 63.192 1.00 0.00 WT2 O ATOM 28508 H1 TIP3 1647 43.243 20.321 62.553 1.00 0.00 WT2 H ATOM 28509 H2 TIP3 1647 42.203 19.227 62.662 1.00 0.00 WT2 H ATOM 28510 OH2 TIP3 1648 70.932 67.777 6.490 1.00 0.00 WT2 O ATOM 28511 H1 TIP3 1648 71.046 67.053 5.874 1.00 0.00 WT2 H ATOM 28512 H2 TIP3 1648 70.007 67.743 6.731 1.00 0.00 WT2 H ATOM 28513 OH2 TIP3 1656 28.352 9.549 34.144 1.00 0.00 WT2 O ATOM 28514 H1 TIP3 1656 28.389 9.306 35.069 1.00 0.00 WT2 H ATOM 28515 H2 TIP3 1656 29.268 9.613 33.876 1.00 0.00 WT2 H ATOM 28516 OH2 TIP3 1658 72.421 31.131 53.650 1.00 0.00 WT2 O ATOM 28517 H1 TIP3 1658 71.515 31.048 53.351 1.00 0.00 WT2 H ATOM 28518 H2 TIP3 1658 72.497 32.043 53.932 1.00 0.00 WT2 H ATOM 28519 OH2 TIP3 1659 26.064 62.217 15.208 1.00 0.00 WT2 O ATOM 28520 H1 TIP3 1659 26.181 61.930 16.113 1.00 0.00 WT2 H ATOM 28521 H2 TIP3 1659 26.395 61.491 14.680 1.00 0.00 WT2 H ATOM 28522 OH2 TIP3 1661 82.375 79.533 -19.750 1.00 0.00 WT2 O ATOM 28523 H1 TIP3 1661 81.797 79.147 -19.092 1.00 0.00 WT2 H ATOM 28524 H2 TIP3 1661 82.658 80.362 -19.364 1.00 0.00 WT2 H ATOM 28525 OH2 TIP3 1662 40.800 88.926 0.051 1.00 0.00 WT2 O ATOM 28526 H1 TIP3 1662 41.238 88.984 0.900 1.00 0.00 WT2 H ATOM 28527 H2 TIP3 1662 39.938 88.560 0.251 1.00 0.00 WT2 H ATOM 28528 OH2 TIP3 1663 87.955 78.647 9.724 1.00 0.00 WT2 O ATOM 28529 H1 TIP3 1663 88.022 77.742 10.030 1.00 0.00 WT2 H ATOM 28530 H2 TIP3 1663 87.355 79.065 10.341 1.00 0.00 WT2 H ATOM 28531 OH2 TIP3 1664 80.767 34.625 -18.872 1.00 0.00 WT2 O ATOM 28532 H1 TIP3 1664 80.414 35.257 -18.246 1.00 0.00 WT2 H ATOM 28533 H2 TIP3 1664 80.739 35.081 -19.714 1.00 0.00 WT2 H ATOM 28534 OH2 TIP3 1665 57.360 32.334 33.001 1.00 0.00 WT2 O ATOM 28535 H1 TIP3 1665 56.472 32.067 33.239 1.00 0.00 WT2 H ATOM 28536 H2 TIP3 1665 57.360 32.339 32.043 1.00 0.00 WT2 H ATOM 28537 OH2 TIP3 1666 48.249 61.424 61.033 1.00 0.00 WT2 O ATOM 28538 H1 TIP3 1666 48.797 62.016 61.547 1.00 0.00 WT2 H ATOM 28539 H2 TIP3 1666 48.350 61.727 60.130 1.00 0.00 WT2 H ATOM 28540 OH2 TIP3 1667 36.156 69.609 -17.754 1.00 0.00 WT2 O ATOM 28541 H1 TIP3 1667 36.526 68.727 -17.792 1.00 0.00 WT2 H ATOM 28542 H2 TIP3 1667 36.703 70.071 -17.118 1.00 0.00 WT2 H ATOM 28543 OH2 TIP3 1681 35.781 42.437 -15.271 1.00 0.00 WT2 O ATOM 28544 H1 TIP3 1681 36.494 42.068 -14.749 1.00 0.00 WT2 H ATOM 28545 H2 TIP3 1681 35.321 43.022 -14.668 1.00 0.00 WT2 H ATOM 28546 OH2 TIP3 1683 54.715 18.839 58.014 1.00 0.00 WT2 O ATOM 28547 H1 TIP3 1683 53.931 19.342 57.790 1.00 0.00 WT2 H ATOM 28548 H2 TIP3 1683 54.809 18.212 57.297 1.00 0.00 WT2 H ATOM 28549 OH2 TIP3 1684 90.998 43.451 34.023 1.00 0.00 WT2 O ATOM 28550 H1 TIP3 1684 90.924 42.571 33.655 1.00 0.00 WT2 H ATOM 28551 H2 TIP3 1684 90.162 43.868 33.817 1.00 0.00 WT2 H ATOM 28552 OH2 TIP3 1686 46.698 94.385 58.165 1.00 0.00 WT2 O ATOM 28553 H1 TIP3 1686 46.800 94.330 57.215 1.00 0.00 WT2 H ATOM 28554 H2 TIP3 1686 46.826 93.488 58.473 1.00 0.00 WT2 H ATOM 28555 OH2 TIP3 1687 22.840 38.768 27.716 1.00 0.00 WT2 O ATOM 28556 H1 TIP3 1687 22.310 39.255 27.085 1.00 0.00 WT2 H ATOM 28557 H2 TIP3 1687 23.072 39.414 28.383 1.00 0.00 WT2 H ATOM 28558 OH2 TIP3 1688 53.309 54.947 -0.625 1.00 0.00 WT2 O ATOM 28559 H1 TIP3 1688 53.764 55.584 -0.075 1.00 0.00 WT2 H ATOM 28560 H2 TIP3 1688 52.592 54.626 -0.079 1.00 0.00 WT2 H ATOM 28561 OH2 TIP3 1689 61.272 17.533 62.686 1.00 0.00 WT2 O ATOM 28562 H1 TIP3 1689 61.055 16.980 63.436 1.00 0.00 WT2 H ATOM 28563 H2 TIP3 1689 62.026 17.105 62.282 1.00 0.00 WT2 H ATOM 28564 OH2 TIP3 1691 62.675 41.522 59.059 1.00 0.00 WT2 O ATOM 28565 H1 TIP3 1691 63.066 41.049 58.325 1.00 0.00 WT2 H ATOM 28566 H2 TIP3 1691 63.380 41.594 59.702 1.00 0.00 WT2 H ATOM 28567 OH2 TIP3 1701 24.690 84.465 23.391 1.00 0.00 WT2 O ATOM 28568 H1 TIP3 1701 24.574 84.981 24.189 1.00 0.00 WT2 H ATOM 28569 H2 TIP3 1701 25.271 84.994 22.845 1.00 0.00 WT2 H ATOM 28570 OH2 TIP3 1702 76.142 73.163 -1.271 1.00 0.00 WT2 O ATOM 28571 H1 TIP3 1702 75.575 72.410 -1.102 1.00 0.00 WT2 H ATOM 28572 H2 TIP3 1702 76.292 73.144 -2.216 1.00 0.00 WT2 H ATOM 28573 OH2 TIP3 1704 20.517 79.340 34.684 1.00 0.00 WT2 O ATOM 28574 H1 TIP3 1704 20.294 80.234 34.425 1.00 0.00 WT2 H ATOM 28575 H2 TIP3 1704 21.342 79.158 34.233 1.00 0.00 WT2 H ATOM 28576 OH2 TIP3 1706 41.150 40.509 51.277 1.00 0.00 WT2 O ATOM 28577 H1 TIP3 1706 40.833 40.571 50.376 1.00 0.00 WT2 H ATOM 28578 H2 TIP3 1706 40.395 40.750 51.814 1.00 0.00 WT2 H ATOM 28579 OH2 TIP3 1707 90.303 72.327 62.898 1.00 0.00 WT2 O ATOM 28580 H1 TIP3 1707 89.693 71.798 63.412 1.00 0.00 WT2 H ATOM 28581 H2 TIP3 1707 89.742 72.906 62.382 1.00 0.00 WT2 H ATOM 28582 OH2 TIP3 1708 50.438 41.056 -2.060 1.00 0.00 WT2 O ATOM 28583 H1 TIP3 1708 51.022 40.961 -1.307 1.00 0.00 WT2 H ATOM 28584 H2 TIP3 1708 51.005 41.363 -2.767 1.00 0.00 WT2 H ATOM 28585 OH2 TIP3 1710 84.959 48.457 66.287 1.00 0.00 WT2 O ATOM 28586 H1 TIP3 1710 85.142 48.834 67.148 1.00 0.00 WT2 H ATOM 28587 H2 TIP3 1710 84.170 47.931 66.418 1.00 0.00 WT2 H ATOM 28588 OH2 TIP3 1723 46.843 24.692 51.748 1.00 0.00 WT2 O ATOM 28589 H1 TIP3 1723 47.001 23.765 51.928 1.00 0.00 WT2 H ATOM 28590 H2 TIP3 1723 46.364 24.698 50.919 1.00 0.00 WT2 H ATOM 28591 OH2 TIP3 1725 67.080 81.896 2.663 1.00 0.00 WT2 O ATOM 28592 H1 TIP3 1725 66.878 82.234 1.790 1.00 0.00 WT2 H ATOM 28593 H2 TIP3 1725 66.246 81.558 2.989 1.00 0.00 WT2 H ATOM 28594 OH2 TIP3 1728 58.640 32.835 11.286 1.00 0.00 WT2 O ATOM 28595 H1 TIP3 1728 58.234 33.066 12.121 1.00 0.00 WT2 H ATOM 28596 H2 TIP3 1728 58.912 33.673 10.911 1.00 0.00 WT2 H ATOM 28597 OH2 TIP3 1730 88.090 28.551 4.580 1.00 0.00 WT2 O ATOM 28598 H1 TIP3 1730 88.919 28.445 5.046 1.00 0.00 WT2 H ATOM 28599 H2 TIP3 1730 87.545 27.829 4.892 1.00 0.00 WT2 H ATOM 28600 OH2 TIP3 1731 46.074 47.637 55.787 1.00 0.00 WT2 O ATOM 28601 H1 TIP3 1731 45.184 47.926 55.991 1.00 0.00 WT2 H ATOM 28602 H2 TIP3 1731 46.481 48.394 55.366 1.00 0.00 WT2 H ATOM 28603 OH2 TIP3 1733 64.759 86.877 65.316 1.00 0.00 WT2 O ATOM 28604 H1 TIP3 1733 64.661 87.049 64.379 1.00 0.00 WT2 H ATOM 28605 H2 TIP3 1733 65.317 86.101 65.361 1.00 0.00 WT2 H ATOM 28606 OH2 TIP3 1738 47.428 81.252 -17.666 1.00 0.00 WT2 O ATOM 28607 H1 TIP3 1738 46.623 81.074 -17.179 1.00 0.00 WT2 H ATOM 28608 H2 TIP3 1738 48.064 81.501 -16.996 1.00 0.00 WT2 H ATOM 28609 OH2 TIP3 1744 25.314 27.094 28.593 1.00 0.00 WT2 O ATOM 28610 H1 TIP3 1744 25.763 27.570 27.895 1.00 0.00 WT2 H ATOM 28611 H2 TIP3 1744 24.383 27.232 28.418 1.00 0.00 WT2 H ATOM 28612 OH2 TIP3 1746 58.886 9.862 2.623 1.00 0.00 WT2 O ATOM 28613 H1 TIP3 1746 58.054 9.389 2.657 1.00 0.00 WT2 H ATOM 28614 H2 TIP3 1746 59.547 9.177 2.522 1.00 0.00 WT2 H ATOM 28615 OH2 TIP3 1747 37.079 49.269 -2.732 1.00 0.00 WT2 O ATOM 28616 H1 TIP3 1747 37.074 49.018 -3.656 1.00 0.00 WT2 H ATOM 28617 H2 TIP3 1747 37.909 48.932 -2.396 1.00 0.00 WT2 H ATOM 28618 OH2 TIP3 1748 57.639 92.041 19.338 1.00 0.00 WT2 O ATOM 28619 H1 TIP3 1748 58.130 91.223 19.415 1.00 0.00 WT2 H ATOM 28620 H2 TIP3 1748 57.689 92.264 18.408 1.00 0.00 WT2 H ATOM 28621 OH2 TIP3 1749 57.022 90.187 -7.227 1.00 0.00 WT2 O ATOM 28622 H1 TIP3 1749 56.275 89.599 -7.336 1.00 0.00 WT2 H ATOM 28623 H2 TIP3 1749 57.519 89.812 -6.500 1.00 0.00 WT2 H ATOM 28624 OH2 TIP3 1750 28.582 95.092 31.873 1.00 0.00 WT2 O ATOM 28625 H1 TIP3 1750 28.648 94.921 30.934 1.00 0.00 WT2 H ATOM 28626 H2 TIP3 1750 27.641 95.154 32.040 1.00 0.00 WT2 H ATOM 28627 OH2 TIP3 1751 88.537 94.715 58.088 1.00 0.00 WT2 O ATOM 28628 H1 TIP3 1751 88.728 95.142 58.924 1.00 0.00 WT2 H ATOM 28629 H2 TIP3 1751 87.655 95.012 57.863 1.00 0.00 WT2 H ATOM 28630 OH2 TIP3 1764 48.948 10.855 -9.741 1.00 0.00 WT2 O ATOM 28631 H1 TIP3 1764 48.531 11.167 -8.938 1.00 0.00 WT2 H ATOM 28632 H2 TIP3 1764 48.780 11.545 -10.382 1.00 0.00 WT2 H ATOM 28633 OH2 TIP3 1766 37.465 48.055 15.884 1.00 0.00 WT2 O ATOM 28634 H1 TIP3 1766 38.401 47.990 16.072 1.00 0.00 WT2 H ATOM 28635 H2 TIP3 1766 37.412 48.637 15.126 1.00 0.00 WT2 H ATOM 28636 OH2 TIP3 1767 81.233 51.558 41.644 1.00 0.00 WT2 O ATOM 28637 H1 TIP3 1767 81.064 51.031 42.426 1.00 0.00 WT2 H ATOM 28638 H2 TIP3 1767 81.112 50.950 40.915 1.00 0.00 WT2 H ATOM 28639 OH2 TIP3 1768 40.468 84.788 52.969 1.00 0.00 WT2 O ATOM 28640 H1 TIP3 1768 39.942 84.556 53.735 1.00 0.00 WT2 H ATOM 28641 H2 TIP3 1768 41.292 85.111 53.333 1.00 0.00 WT2 H ATOM 28642 OH2 TIP3 1769 70.099 71.970 30.755 1.00 0.00 WT2 O ATOM 28643 H1 TIP3 1769 70.003 72.770 30.239 1.00 0.00 WT2 H ATOM 28644 H2 TIP3 1769 69.203 71.665 30.895 1.00 0.00 WT2 H ATOM 28645 OH2 TIP3 1770 70.439 4.732 24.750 1.00 0.00 WT2 O ATOM 28646 H1 TIP3 1770 70.389 5.649 25.018 1.00 0.00 WT2 H ATOM 28647 H2 TIP3 1770 70.484 4.244 25.572 1.00 0.00 WT2 H ATOM 28648 OH2 TIP3 1771 79.381 88.871 -6.871 1.00 0.00 WT2 O ATOM 28649 H1 TIP3 1771 78.794 89.223 -7.541 1.00 0.00 WT2 H ATOM 28650 H2 TIP3 1771 79.252 89.443 -6.114 1.00 0.00 WT2 H ATOM 28651 OH2 TIP3 1773 76.880 77.021 49.983 1.00 0.00 WT2 O ATOM 28652 H1 TIP3 1773 77.573 76.507 49.568 1.00 0.00 WT2 H ATOM 28653 H2 TIP3 1773 76.223 77.136 49.297 1.00 0.00 WT2 H ATOM 28654 OH2 TIP3 1784 31.973 93.428 -3.500 1.00 0.00 WT2 O ATOM 28655 H1 TIP3 1784 31.267 93.708 -2.918 1.00 0.00 WT2 H ATOM 28656 H2 TIP3 1784 31.609 93.518 -4.381 1.00 0.00 WT2 H ATOM 28657 OH2 TIP3 1785 69.828 95.408 -10.942 1.00 0.00 WT2 O ATOM 28658 H1 TIP3 1785 69.034 95.739 -10.522 1.00 0.00 WT2 H ATOM 28659 H2 TIP3 1785 69.591 94.530 -11.242 1.00 0.00 WT2 H ATOM 28660 OH2 TIP3 1788 21.418 43.219 46.765 1.00 0.00 WT2 O ATOM 28661 H1 TIP3 1788 22.359 43.301 46.917 1.00 0.00 WT2 H ATOM 28662 H2 TIP3 1788 21.111 42.645 47.467 1.00 0.00 WT2 H ATOM 28663 OH2 TIP3 1789 21.486 51.939 2.693 1.00 0.00 WT2 O ATOM 28664 H1 TIP3 1789 22.395 51.931 2.393 1.00 0.00 WT2 H ATOM 28665 H2 TIP3 1789 21.415 52.731 3.226 1.00 0.00 WT2 H ATOM 28666 OH2 TIP3 1790 56.769 45.873 0.385 1.00 0.00 WT2 O ATOM 28667 H1 TIP3 1790 57.366 46.479 -0.054 1.00 0.00 WT2 H ATOM 28668 H2 TIP3 1790 56.912 46.028 1.318 1.00 0.00 WT2 H ATOM 28669 OH2 TIP3 1791 58.876 78.867 62.337 1.00 0.00 WT2 O ATOM 28670 H1 TIP3 1791 59.242 78.035 62.635 1.00 0.00 WT2 H ATOM 28671 H2 TIP3 1791 59.633 79.447 62.254 1.00 0.00 WT2 H ATOM 28672 OH2 TIP3 1792 55.779 26.676 40.198 1.00 0.00 WT2 O ATOM 28673 H1 TIP3 1792 56.228 27.273 39.599 1.00 0.00 WT2 H ATOM 28674 H2 TIP3 1792 55.922 25.807 39.822 1.00 0.00 WT2 H ATOM 28675 OH2 TIP3 1795 56.034 89.034 57.527 1.00 0.00 WT2 O ATOM 28676 H1 TIP3 1795 56.211 89.903 57.166 1.00 0.00 WT2 H ATOM 28677 H2 TIP3 1795 55.971 88.465 56.760 1.00 0.00 WT2 H ATOM 28678 OH2 TIP3 1796 33.606 9.793 -8.295 1.00 0.00 WT2 O ATOM 28679 H1 TIP3 1796 34.374 10.170 -8.725 1.00 0.00 WT2 H ATOM 28680 H2 TIP3 1796 33.266 9.156 -8.924 1.00 0.00 WT2 H ATOM 28681 OH2 TIP3 1810 46.619 19.613 -16.778 1.00 0.00 WT2 O ATOM 28682 H1 TIP3 1810 47.119 19.987 -16.053 1.00 0.00 WT2 H ATOM 28683 H2 TIP3 1810 45.749 20.004 -16.696 1.00 0.00 WT2 H ATOM 28684 OH2 TIP3 1811 30.181 69.619 61.983 1.00 0.00 WT2 O ATOM 28685 H1 TIP3 1811 30.825 69.809 62.665 1.00 0.00 WT2 H ATOM 28686 H2 TIP3 1811 30.576 69.959 61.179 1.00 0.00 WT2 H ATOM 28687 OH2 TIP3 1813 72.717 15.496 -1.691 1.00 0.00 WT2 O ATOM 28688 H1 TIP3 1813 71.777 15.443 -1.516 1.00 0.00 WT2 H ATOM 28689 H2 TIP3 1813 72.788 16.085 -2.442 1.00 0.00 WT2 H ATOM 28690 OH2 TIP3 1814 42.532 33.869 -6.339 1.00 0.00 WT2 O ATOM 28691 H1 TIP3 1814 42.863 33.568 -5.493 1.00 0.00 WT2 H ATOM 28692 H2 TIP3 1814 42.104 33.101 -6.717 1.00 0.00 WT2 H ATOM 28693 OH2 TIP3 1816 23.937 47.192 -14.357 1.00 0.00 WT2 O ATOM 28694 H1 TIP3 1816 23.893 46.629 -13.585 1.00 0.00 WT2 H ATOM 28695 H2 TIP3 1816 24.702 47.747 -14.207 1.00 0.00 WT2 H ATOM 28696 OH2 TIP3 1824 31.794 54.820 64.718 1.00 0.00 WT2 O ATOM 28697 H1 TIP3 1824 32.156 55.566 65.196 1.00 0.00 WT2 H ATOM 28698 H2 TIP3 1824 30.858 55.008 64.653 1.00 0.00 WT2 H ATOM 28699 OH2 TIP3 1829 82.738 67.310 61.554 1.00 0.00 WT2 O ATOM 28700 H1 TIP3 1829 82.960 67.222 60.627 1.00 0.00 WT2 H ATOM 28701 H2 TIP3 1829 81.969 67.881 61.563 1.00 0.00 WT2 H ATOM 28702 OH2 TIP3 1830 30.351 43.342 -5.807 1.00 0.00 WT2 O ATOM 28703 H1 TIP3 1830 30.737 42.534 -5.470 1.00 0.00 WT2 H ATOM 28704 H2 TIP3 1830 29.887 43.717 -5.058 1.00 0.00 WT2 H ATOM 28705 OH2 TIP3 1831 48.325 4.354 65.119 1.00 0.00 WT2 O ATOM 28706 H1 TIP3 1831 47.965 4.400 66.004 1.00 0.00 WT2 H ATOM 28707 H2 TIP3 1831 47.561 4.244 64.553 1.00 0.00 WT2 H ATOM 28708 OH2 TIP3 1832 39.689 83.920 39.497 1.00 0.00 WT2 O ATOM 28709 H1 TIP3 1832 40.329 83.208 39.476 1.00 0.00 WT2 H ATOM 28710 H2 TIP3 1832 39.517 84.116 38.576 1.00 0.00 WT2 H ATOM 28711 OH2 TIP3 1835 76.027 49.561 30.210 1.00 0.00 WT2 O ATOM 28712 H1 TIP3 1835 76.336 49.079 30.977 1.00 0.00 WT2 H ATOM 28713 H2 TIP3 1835 75.138 49.832 30.440 1.00 0.00 WT2 H ATOM 28714 OH2 TIP3 1837 74.086 59.426 26.687 1.00 0.00 WT2 O ATOM 28715 H1 TIP3 1837 73.634 60.231 26.941 1.00 0.00 WT2 H ATOM 28716 H2 TIP3 1837 73.385 58.787 26.560 1.00 0.00 WT2 H ATOM 28717 OH2 TIP3 1847 36.420 25.152 52.388 1.00 0.00 WT2 O ATOM 28718 H1 TIP3 1847 36.416 25.757 53.130 1.00 0.00 WT2 H ATOM 28719 H2 TIP3 1847 37.289 24.753 52.408 1.00 0.00 WT2 H ATOM 28720 OH2 TIP3 1850 86.873 1.612 39.633 1.00 0.00 WT2 O ATOM 28721 H1 TIP3 1850 87.246 2.348 39.147 1.00 0.00 WT2 H ATOM 28722 H2 TIP3 1850 87.236 0.835 39.208 1.00 0.00 WT2 H ATOM 28723 OH2 TIP3 1851 58.136 29.784 50.209 1.00 0.00 WT2 O ATOM 28724 H1 TIP3 1851 58.332 30.645 49.840 1.00 0.00 WT2 H ATOM 28725 H2 TIP3 1851 58.183 29.187 49.462 1.00 0.00 WT2 H ATOM 28726 OH2 TIP3 1852 47.437 74.914 66.361 1.00 0.00 WT2 O ATOM 28727 H1 TIP3 1852 46.620 74.474 66.125 1.00 0.00 WT2 H ATOM 28728 H2 TIP3 1852 48.051 74.666 65.670 1.00 0.00 WT2 H ATOM 28729 OH2 TIP3 1853 63.190 4.216 -14.384 1.00 0.00 WT2 O ATOM 28730 H1 TIP3 1853 63.301 4.818 -13.648 1.00 0.00 WT2 H ATOM 28731 H2 TIP3 1853 62.961 3.380 -13.978 1.00 0.00 WT2 H ATOM 28732 OH2 TIP3 1854 90.668 63.614 44.142 1.00 0.00 WT2 O ATOM 28733 H1 TIP3 1854 89.737 63.831 44.107 1.00 0.00 WT2 H ATOM 28734 H2 TIP3 1854 90.734 62.769 43.697 1.00 0.00 WT2 H ATOM 28735 OH2 TIP3 1855 70.758 88.442 56.843 1.00 0.00 WT2 O ATOM 28736 H1 TIP3 1855 69.881 88.126 57.060 1.00 0.00 WT2 H ATOM 28737 H2 TIP3 1855 71.300 87.654 56.823 1.00 0.00 WT2 H ATOM 28738 OH2 TIP3 1856 86.147 1.270 -8.179 1.00 0.00 WT2 O ATOM 28739 H1 TIP3 1856 86.356 0.724 -8.936 1.00 0.00 WT2 H ATOM 28740 H2 TIP3 1856 85.383 1.777 -8.452 1.00 0.00 WT2 H ATOM 28741 OH2 TIP3 1870 65.307 95.491 -0.811 1.00 0.00 WT2 O ATOM 28742 H1 TIP3 1870 65.662 95.450 -1.699 1.00 0.00 WT2 H ATOM 28743 H2 TIP3 1870 65.185 96.426 -0.644 1.00 0.00 WT2 H ATOM 28744 OH2 TIP3 1871 83.936 85.757 28.200 1.00 0.00 WT2 O ATOM 28745 H1 TIP3 1871 84.162 85.477 29.087 1.00 0.00 WT2 H ATOM 28746 H2 TIP3 1871 83.741 84.944 27.734 1.00 0.00 WT2 H ATOM 28747 OH2 TIP3 1872 65.141 13.517 10.263 1.00 0.00 WT2 O ATOM 28748 H1 TIP3 1872 65.421 13.017 11.030 1.00 0.00 WT2 H ATOM 28749 H2 TIP3 1872 65.956 13.834 9.873 1.00 0.00 WT2 H ATOM 28750 OH2 TIP3 1873 38.428 24.394 31.901 1.00 0.00 WT2 O ATOM 28751 H1 TIP3 1873 38.393 24.844 31.057 1.00 0.00 WT2 H ATOM 28752 H2 TIP3 1873 38.995 24.943 32.443 1.00 0.00 WT2 H ATOM 28753 OH2 TIP3 1875 46.570 8.815 5.856 1.00 0.00 WT2 O ATOM 28754 H1 TIP3 1875 46.871 9.399 6.552 1.00 0.00 WT2 H ATOM 28755 H2 TIP3 1875 45.845 9.287 5.445 1.00 0.00 WT2 H ATOM 28756 OH2 TIP3 1877 70.841 31.860 57.373 1.00 0.00 WT2 O ATOM 28757 H1 TIP3 1877 70.144 32.477 57.595 1.00 0.00 WT2 H ATOM 28758 H2 TIP3 1877 71.478 32.383 56.887 1.00 0.00 WT2 H ATOM 28759 OH2 TIP3 1881 61.201 23.113 51.252 1.00 0.00 WT2 O ATOM 28760 H1 TIP3 1881 61.351 23.840 50.647 1.00 0.00 WT2 H ATOM 28761 H2 TIP3 1881 61.416 22.331 50.744 1.00 0.00 WT2 H ATOM 28762 OH2 TIP3 1885 30.664 67.891 12.948 1.00 0.00 WT2 O ATOM 28763 H1 TIP3 1885 31.235 67.415 13.550 1.00 0.00 WT2 H ATOM 28764 H2 TIP3 1885 30.552 67.299 12.204 1.00 0.00 WT2 H ATOM 28765 OH2 TIP3 1891 45.649 16.686 -10.745 1.00 0.00 WT2 O ATOM 28766 H1 TIP3 1891 46.330 16.528 -11.399 1.00 0.00 WT2 H ATOM 28767 H2 TIP3 1891 44.828 16.624 -11.233 1.00 0.00 WT2 H ATOM 28768 OH2 TIP3 1892 84.237 90.438 28.885 1.00 0.00 WT2 O ATOM 28769 H1 TIP3 1892 85.127 90.246 29.182 1.00 0.00 WT2 H ATOM 28770 H2 TIP3 1892 83.766 90.684 29.682 1.00 0.00 WT2 H ATOM 28771 OH2 TIP3 1894 88.407 6.694 43.777 1.00 0.00 WT2 O ATOM 28772 H1 TIP3 1894 87.836 6.384 43.073 1.00 0.00 WT2 H ATOM 28773 H2 TIP3 1894 89.290 6.470 43.485 1.00 0.00 WT2 H ATOM 28774 OH2 TIP3 1895 75.154 6.841 7.404 1.00 0.00 WT2 O ATOM 28775 H1 TIP3 1895 75.721 7.281 8.037 1.00 0.00 WT2 H ATOM 28776 H2 TIP3 1895 75.694 6.135 7.048 1.00 0.00 WT2 H ATOM 28777 OH2 TIP3 1896 43.417 41.243 -12.703 1.00 0.00 WT2 O ATOM 28778 H1 TIP3 1896 42.960 40.740 -12.029 1.00 0.00 WT2 H ATOM 28779 H2 TIP3 1896 43.792 41.989 -12.234 1.00 0.00 WT2 H ATOM 28780 OH2 TIP3 1897 87.530 5.491 -5.672 1.00 0.00 WT2 O ATOM 28781 H1 TIP3 1897 87.559 5.977 -6.497 1.00 0.00 WT2 H ATOM 28782 H2 TIP3 1897 86.613 5.534 -5.400 1.00 0.00 WT2 H ATOM 28783 OH2 TIP3 1911 23.987 45.427 62.730 1.00 0.00 WT2 O ATOM 28784 H1 TIP3 1911 24.389 46.094 62.173 1.00 0.00 WT2 H ATOM 28785 H2 TIP3 1911 24.311 45.622 63.609 1.00 0.00 WT2 H ATOM 28786 OH2 TIP3 1912 40.663 82.901 23.987 1.00 0.00 WT2 O ATOM 28787 H1 TIP3 1912 41.074 82.096 24.302 1.00 0.00 WT2 H ATOM 28788 H2 TIP3 1912 40.547 82.760 23.048 1.00 0.00 WT2 H ATOM 28789 OH2 TIP3 1913 89.129 8.948 40.740 1.00 0.00 WT2 O ATOM 28790 H1 TIP3 1913 89.085 9.504 41.518 1.00 0.00 WT2 H ATOM 28791 H2 TIP3 1913 90.065 8.855 40.564 1.00 0.00 WT2 H ATOM 28792 OH2 TIP3 1914 69.431 4.549 21.945 1.00 0.00 WT2 O ATOM 28793 H1 TIP3 1914 68.970 3.749 21.692 1.00 0.00 WT2 H ATOM 28794 H2 TIP3 1914 69.509 4.490 22.897 1.00 0.00 WT2 H ATOM 28795 OH2 TIP3 1915 65.682 77.780 35.816 1.00 0.00 WT2 O ATOM 28796 H1 TIP3 1915 64.851 77.572 36.243 1.00 0.00 WT2 H ATOM 28797 H2 TIP3 1915 65.509 78.587 35.332 1.00 0.00 WT2 H ATOM 28798 OH2 TIP3 1917 25.280 1.841 -13.197 1.00 0.00 WT2 O ATOM 28799 H1 TIP3 1917 25.992 1.216 -13.335 1.00 0.00 WT2 H ATOM 28800 H2 TIP3 1917 24.899 1.967 -14.066 1.00 0.00 WT2 H ATOM 28801 OH2 TIP3 1918 41.320 2.308 -13.089 1.00 0.00 WT2 O ATOM 28802 H1 TIP3 1918 40.597 1.866 -12.643 1.00 0.00 WT2 H ATOM 28803 H2 TIP3 1918 40.927 3.099 -13.458 1.00 0.00 WT2 H ATOM 28804 OH2 TIP3 1919 85.735 51.541 32.347 1.00 0.00 WT2 O ATOM 28805 H1 TIP3 1919 86.454 51.654 32.968 1.00 0.00 WT2 H ATOM 28806 H2 TIP3 1919 85.706 52.366 31.862 1.00 0.00 WT2 H ATOM 28807 OH2 TIP3 1931 36.363 22.982 -16.305 1.00 0.00 WT2 O ATOM 28808 H1 TIP3 1931 36.482 23.892 -16.576 1.00 0.00 WT2 H ATOM 28809 H2 TIP3 1931 36.818 22.920 -15.465 1.00 0.00 WT2 H ATOM 28810 OH2 TIP3 1934 54.542 60.883 63.797 1.00 0.00 WT2 O ATOM 28811 H1 TIP3 1934 53.592 60.856 63.678 1.00 0.00 WT2 H ATOM 28812 H2 TIP3 1934 54.822 59.973 63.699 1.00 0.00 WT2 H ATOM 28813 OH2 TIP3 1935 31.204 56.477 47.776 1.00 0.00 WT2 O ATOM 28814 H1 TIP3 1935 31.401 56.794 48.657 1.00 0.00 WT2 H ATOM 28815 H2 TIP3 1935 30.256 56.577 47.692 1.00 0.00 WT2 H ATOM 28816 OH2 TIP3 1936 79.169 19.331 40.176 1.00 0.00 WT2 O ATOM 28817 H1 TIP3 1936 79.929 19.050 39.666 1.00 0.00 WT2 H ATOM 28818 H2 TIP3 1936 79.518 19.979 40.788 1.00 0.00 WT2 H ATOM 28819 OH2 TIP3 1937 33.111 19.917 -18.434 1.00 0.00 WT2 O ATOM 28820 H1 TIP3 1937 32.443 20.397 -17.944 1.00 0.00 WT2 H ATOM 28821 H2 TIP3 1937 33.910 20.022 -17.918 1.00 0.00 WT2 H ATOM 28822 OH2 TIP3 1938 21.182 85.988 59.914 1.00 0.00 WT2 O ATOM 28823 H1 TIP3 1938 21.316 85.174 59.428 1.00 0.00 WT2 H ATOM 28824 H2 TIP3 1938 21.225 85.728 60.834 1.00 0.00 WT2 H ATOM 28825 OH2 TIP3 1950 56.719 29.434 0.517 1.00 0.00 WT2 O ATOM 28826 H1 TIP3 1950 57.105 28.559 0.485 1.00 0.00 WT2 H ATOM 28827 H2 TIP3 1950 57.269 29.917 1.133 1.00 0.00 WT2 H ATOM 28828 OH2 TIP3 1952 27.823 28.196 55.309 1.00 0.00 WT2 O ATOM 28829 H1 TIP3 1952 27.698 28.445 56.224 1.00 0.00 WT2 H ATOM 28830 H2 TIP3 1952 28.114 29.000 54.879 1.00 0.00 WT2 H ATOM 28831 OH2 TIP3 1953 21.820 22.836 57.687 1.00 0.00 WT2 O ATOM 28832 H1 TIP3 1953 21.567 22.235 58.388 1.00 0.00 WT2 H ATOM 28833 H2 TIP3 1953 22.695 22.548 57.429 1.00 0.00 WT2 H ATOM 28834 OH2 TIP3 1954 67.681 92.091 -19.015 1.00 0.00 WT2 O ATOM 28835 H1 TIP3 1954 67.563 92.963 -19.394 1.00 0.00 WT2 H ATOM 28836 H2 TIP3 1954 68.497 92.154 -18.519 1.00 0.00 WT2 H ATOM 28837 OH2 TIP3 1955 35.633 44.718 18.339 1.00 0.00 WT2 O ATOM 28838 H1 TIP3 1955 36.320 45.380 18.268 1.00 0.00 WT2 H ATOM 28839 H2 TIP3 1955 36.036 43.917 18.003 1.00 0.00 WT2 H ATOM 28840 OH2 TIP3 1959 39.049 85.285 55.455 1.00 0.00 WT2 O ATOM 28841 H1 TIP3 1959 39.171 86.199 55.714 1.00 0.00 WT2 H ATOM 28842 H2 TIP3 1959 38.146 85.085 55.698 1.00 0.00 WT2 H ATOM 28843 OH2 TIP3 1976 23.023 79.088 21.145 1.00 0.00 WT2 O ATOM 28844 H1 TIP3 1976 22.313 78.468 20.978 1.00 0.00 WT2 H ATOM 28845 H2 TIP3 1976 23.219 79.464 20.287 1.00 0.00 WT2 H ATOM 28846 OH2 TIP3 1977 33.665 65.870 48.268 1.00 0.00 WT2 O ATOM 28847 H1 TIP3 1977 34.608 65.853 48.106 1.00 0.00 WT2 H ATOM 28848 H2 TIP3 1977 33.519 65.175 48.909 1.00 0.00 WT2 H ATOM 28849 OH2 TIP3 1978 44.326 50.148 -7.536 1.00 0.00 WT2 O ATOM 28850 H1 TIP3 1978 44.198 50.024 -6.595 1.00 0.00 WT2 H ATOM 28851 H2 TIP3 1978 44.168 51.081 -7.678 1.00 0.00 WT2 H ATOM 28852 OH2 TIP3 1979 88.336 12.160 56.649 1.00 0.00 WT2 O ATOM 28853 H1 TIP3 1979 88.479 13.105 56.709 1.00 0.00 WT2 H ATOM 28854 H2 TIP3 1979 89.097 11.774 57.082 1.00 0.00 WT2 H ATOM 28855 OH2 TIP3 1983 31.490 12.763 38.504 1.00 0.00 WT2 O ATOM 28856 H1 TIP3 1983 32.086 12.919 37.772 1.00 0.00 WT2 H ATOM 28857 H2 TIP3 1983 30.796 13.412 38.391 1.00 0.00 WT2 H ATOM 28858 OH2 TIP3 1993 68.200 79.290 25.084 1.00 0.00 WT2 O ATOM 28859 H1 TIP3 1993 68.612 78.770 24.394 1.00 0.00 WT2 H ATOM 28860 H2 TIP3 1993 67.595 79.869 24.619 1.00 0.00 WT2 H ATOM 28861 OH2 TIP3 1998 78.360 23.306 48.547 1.00 0.00 WT2 O ATOM 28862 H1 TIP3 1998 78.882 22.504 48.544 1.00 0.00 WT2 H ATOM 28863 H2 TIP3 1998 77.479 23.019 48.308 1.00 0.00 WT2 H ATOM 28864 OH2 TIP3 1999 43.145 54.849 -6.243 1.00 0.00 WT2 O ATOM 28865 H1 TIP3 1999 42.190 54.849 -6.301 1.00 0.00 WT2 H ATOM 28866 H2 TIP3 1999 43.333 55.231 -5.386 1.00 0.00 WT2 H ATOM 28867 OH2 TIP3 2000 40.086 33.151 53.305 1.00 0.00 WT2 O ATOM 28868 H1 TIP3 2000 40.454 33.168 52.421 1.00 0.00 WT2 H ATOM 28869 H2 TIP3 2000 40.494 32.390 53.720 1.00 0.00 WT2 H ATOM 28870 OH2 TIP3 2001 44.491 35.699 -6.902 1.00 0.00 WT2 O ATOM 28871 H1 TIP3 2001 44.358 36.207 -7.702 1.00 0.00 WT2 H ATOM 28872 H2 TIP3 2001 43.698 35.168 -6.820 1.00 0.00 WT2 H ATOM 28873 OH2 TIP3 2002 35.768 25.150 38.083 1.00 0.00 WT2 O ATOM 28874 H1 TIP3 2002 35.806 25.938 37.541 1.00 0.00 WT2 H ATOM 28875 H2 TIP3 2002 36.683 24.938 38.264 1.00 0.00 WT2 H ATOM 28876 OH2 TIP3 2014 53.537 6.540 32.577 1.00 0.00 WT2 O ATOM 28877 H1 TIP3 2014 53.043 5.723 32.519 1.00 0.00 WT2 H ATOM 28878 H2 TIP3 2014 52.868 7.224 32.604 1.00 0.00 WT2 H ATOM 28879 OH2 TIP3 2016 75.747 37.124 43.669 1.00 0.00 WT2 O ATOM 28880 H1 TIP3 2016 75.814 37.952 43.193 1.00 0.00 WT2 H ATOM 28881 H2 TIP3 2016 76.584 37.043 44.127 1.00 0.00 WT2 H ATOM 28882 OH2 TIP3 2018 31.503 72.601 43.783 1.00 0.00 WT2 O ATOM 28883 H1 TIP3 2018 32.215 72.425 43.167 1.00 0.00 WT2 H ATOM 28884 H2 TIP3 2018 30.889 73.147 43.290 1.00 0.00 WT2 H ATOM 28885 OH2 TIP3 2019 77.444 94.775 56.978 1.00 0.00 WT2 O ATOM 28886 H1 TIP3 2019 77.882 95.248 57.686 1.00 0.00 WT2 H ATOM 28887 H2 TIP3 2019 77.381 95.412 56.267 1.00 0.00 WT2 H ATOM 28888 OH2 TIP3 2021 54.942 34.154 11.907 1.00 0.00 WT2 O ATOM 28889 H1 TIP3 2021 54.264 34.120 12.582 1.00 0.00 WT2 H ATOM 28890 H2 TIP3 2021 55.222 35.069 11.893 1.00 0.00 WT2 H ATOM 28891 OH2 TIP3 2022 37.224 79.856 -9.745 1.00 0.00 WT2 O ATOM 28892 H1 TIP3 2022 36.577 80.519 -9.504 1.00 0.00 WT2 H ATOM 28893 H2 TIP3 2022 37.690 79.668 -8.931 1.00 0.00 WT2 H ATOM 28894 OH2 TIP3 2024 80.578 53.242 64.429 1.00 0.00 WT2 O ATOM 28895 H1 TIP3 2024 79.811 53.677 64.801 1.00 0.00 WT2 H ATOM 28896 H2 TIP3 2024 80.725 53.687 63.594 1.00 0.00 WT2 H ATOM 28897 OH2 TIP3 2034 42.377 55.767 46.219 1.00 0.00 WT2 O ATOM 28898 H1 TIP3 2034 42.613 55.517 45.326 1.00 0.00 WT2 H ATOM 28899 H2 TIP3 2034 43.044 56.404 46.475 1.00 0.00 WT2 H ATOM 28900 OH2 TIP3 2037 64.248 26.305 45.065 1.00 0.00 WT2 O ATOM 28901 H1 TIP3 2037 63.603 26.975 45.291 1.00 0.00 WT2 H ATOM 28902 H2 TIP3 2037 63.817 25.775 44.394 1.00 0.00 WT2 H ATOM 28903 OH2 TIP3 2038 88.719 47.228 62.025 1.00 0.00 WT2 O ATOM 28904 H1 TIP3 2038 89.334 46.634 62.454 1.00 0.00 WT2 H ATOM 28905 H2 TIP3 2038 87.957 46.684 61.827 1.00 0.00 WT2 H ATOM 28906 OH2 TIP3 2039 22.119 93.791 12.380 1.00 0.00 WT2 O ATOM 28907 H1 TIP3 2039 22.386 92.970 11.966 1.00 0.00 WT2 H ATOM 28908 H2 TIP3 2039 21.591 94.234 11.715 1.00 0.00 WT2 H ATOM 28909 OH2 TIP3 2040 42.700 14.024 34.469 1.00 0.00 WT2 O ATOM 28910 H1 TIP3 2040 42.404 14.319 33.608 1.00 0.00 WT2 H ATOM 28911 H2 TIP3 2040 43.599 13.730 34.326 1.00 0.00 WT2 H ATOM 28912 OH2 TIP3 2042 46.186 64.364 15.902 1.00 0.00 WT2 O ATOM 28913 H1 TIP3 2042 46.636 64.112 16.708 1.00 0.00 WT2 H ATOM 28914 H2 TIP3 2042 46.767 64.068 15.201 1.00 0.00 WT2 H ATOM 28915 OH2 TIP3 2043 57.178 59.622 36.965 1.00 0.00 WT2 O ATOM 28916 H1 TIP3 2043 56.396 60.042 37.322 1.00 0.00 WT2 H ATOM 28917 H2 TIP3 2043 57.070 59.681 36.016 1.00 0.00 WT2 H ATOM 28918 OH2 TIP3 2044 56.178 88.944 -0.995 1.00 0.00 WT2 O ATOM 28919 H1 TIP3 2044 56.148 88.009 -0.795 1.00 0.00 WT2 H ATOM 28920 H2 TIP3 2044 56.131 88.988 -1.950 1.00 0.00 WT2 H ATOM 28921 OH2 TIP3 2046 50.837 31.978 -11.863 1.00 0.00 WT2 O ATOM 28922 H1 TIP3 2046 50.762 32.915 -11.684 1.00 0.00 WT2 H ATOM 28923 H2 TIP3 2046 51.065 31.590 -11.018 1.00 0.00 WT2 H ATOM 28924 OH2 TIP3 2059 63.165 48.921 -10.656 1.00 0.00 WT2 O ATOM 28925 H1 TIP3 2059 62.258 49.206 -10.550 1.00 0.00 WT2 H ATOM 28926 H2 TIP3 2059 63.617 49.263 -9.885 1.00 0.00 WT2 H ATOM 28927 OH2 TIP3 2060 55.900 39.636 59.858 1.00 0.00 WT2 O ATOM 28928 H1 TIP3 2060 55.388 39.446 59.072 1.00 0.00 WT2 H ATOM 28929 H2 TIP3 2060 55.912 40.592 59.911 1.00 0.00 WT2 H ATOM 28930 OH2 TIP3 2061 29.885 45.194 7.005 1.00 0.00 WT2 O ATOM 28931 H1 TIP3 2061 29.100 44.896 7.465 1.00 0.00 WT2 H ATOM 28932 H2 TIP3 2061 30.270 45.849 7.587 1.00 0.00 WT2 H ATOM 28933 OH2 TIP3 2062 58.130 63.720 45.641 1.00 0.00 WT2 O ATOM 28934 H1 TIP3 2062 57.916 64.283 44.897 1.00 0.00 WT2 H ATOM 28935 H2 TIP3 2062 57.964 62.832 45.325 1.00 0.00 WT2 H ATOM 28936 OH2 TIP3 2063 39.215 42.653 58.812 1.00 0.00 WT2 O ATOM 28937 H1 TIP3 2063 38.963 42.318 59.672 1.00 0.00 WT2 H ATOM 28938 H2 TIP3 2063 38.412 42.608 58.292 1.00 0.00 WT2 H ATOM 28939 OH2 TIP3 2064 24.801 21.659 61.170 1.00 0.00 WT2 O ATOM 28940 H1 TIP3 2064 24.887 22.458 60.650 1.00 0.00 WT2 H ATOM 28941 H2 TIP3 2064 25.066 20.956 60.577 1.00 0.00 WT2 H ATOM 28942 OH2 TIP3 2066 50.846 80.164 29.164 1.00 0.00 WT2 O ATOM 28943 H1 TIP3 2066 50.491 79.403 29.623 1.00 0.00 WT2 H ATOM 28944 H2 TIP3 2066 51.358 79.793 28.445 1.00 0.00 WT2 H ATOM 28945 OH2 TIP3 2079 72.657 30.554 50.781 1.00 0.00 WT2 O ATOM 28946 H1 TIP3 2079 71.791 30.148 50.742 1.00 0.00 WT2 H ATOM 28947 H2 TIP3 2079 73.188 29.940 51.288 1.00 0.00 WT2 H ATOM 28948 OH2 TIP3 2081 62.929 49.864 60.317 1.00 0.00 WT2 O ATOM 28949 H1 TIP3 2081 63.761 50.336 60.312 1.00 0.00 WT2 H ATOM 28950 H2 TIP3 2081 62.271 50.539 60.485 1.00 0.00 WT2 H ATOM 28951 OH2 TIP3 2082 40.470 57.090 -13.411 1.00 0.00 WT2 O ATOM 28952 H1 TIP3 2082 41.233 56.636 -13.769 1.00 0.00 WT2 H ATOM 28953 H2 TIP3 2082 40.379 57.872 -13.956 1.00 0.00 WT2 H ATOM 28954 OH2 TIP3 2083 47.792 92.695 21.209 1.00 0.00 WT2 O ATOM 28955 H1 TIP3 2083 47.917 92.452 20.292 1.00 0.00 WT2 H ATOM 28956 H2 TIP3 2083 47.295 91.968 21.585 1.00 0.00 WT2 H ATOM 28957 OH2 TIP3 2084 25.328 68.411 48.588 1.00 0.00 WT2 O ATOM 28958 H1 TIP3 2084 24.767 68.612 47.838 1.00 0.00 WT2 H ATOM 28959 H2 TIP3 2084 26.211 68.629 48.292 1.00 0.00 WT2 H ATOM 28960 OH2 TIP3 2088 43.065 86.379 31.956 1.00 0.00 WT2 O ATOM 28961 H1 TIP3 2088 42.654 87.232 32.093 1.00 0.00 WT2 H ATOM 28962 H2 TIP3 2088 43.743 86.329 32.631 1.00 0.00 WT2 H ATOM 28963 OH2 TIP3 2101 21.414 6.845 48.740 1.00 0.00 WT2 O ATOM 28964 H1 TIP3 2101 22.193 7.102 49.234 1.00 0.00 WT2 H ATOM 28965 H2 TIP3 2101 21.467 7.348 47.928 1.00 0.00 WT2 H ATOM 28966 OH2 TIP3 2102 62.406 94.387 2.981 1.00 0.00 WT2 O ATOM 28967 H1 TIP3 2102 63.220 93.926 2.778 1.00 0.00 WT2 H ATOM 28968 H2 TIP3 2102 61.748 93.966 2.428 1.00 0.00 WT2 H ATOM 28969 OH2 TIP3 2103 87.780 80.802 63.666 1.00 0.00 WT2 O ATOM 28970 H1 TIP3 2103 87.126 81.501 63.677 1.00 0.00 WT2 H ATOM 28971 H2 TIP3 2103 87.565 80.261 64.426 1.00 0.00 WT2 H ATOM 28972 OH2 TIP3 2104 90.385 40.259 62.084 1.00 0.00 WT2 O ATOM 28973 H1 TIP3 2104 89.842 40.590 62.800 1.00 0.00 WT2 H ATOM 28974 H2 TIP3 2104 91.136 40.853 62.059 1.00 0.00 WT2 H ATOM 28975 OH2 TIP3 2105 79.283 4.877 60.195 1.00 0.00 WT2 O ATOM 28976 H1 TIP3 2105 78.332 4.969 60.148 1.00 0.00 WT2 H ATOM 28977 H2 TIP3 2105 79.527 4.477 59.360 1.00 0.00 WT2 H ATOM 28978 OH2 TIP3 2106 81.739 68.963 47.236 1.00 0.00 WT2 O ATOM 28979 H1 TIP3 2106 81.306 68.349 46.642 1.00 0.00 WT2 H ATOM 28980 H2 TIP3 2106 82.395 68.435 47.690 1.00 0.00 WT2 H ATOM 28981 OH2 TIP3 2108 34.821 36.616 29.538 1.00 0.00 WT2 O ATOM 28982 H1 TIP3 2108 34.514 37.276 28.917 1.00 0.00 WT2 H ATOM 28983 H2 TIP3 2108 35.745 36.494 29.322 1.00 0.00 WT2 H ATOM 28984 OH2 TIP3 2122 53.235 73.478 41.911 1.00 0.00 WT2 O ATOM 28985 H1 TIP3 2122 52.287 73.600 41.956 1.00 0.00 WT2 H ATOM 28986 H2 TIP3 2122 53.541 74.188 41.346 1.00 0.00 WT2 H ATOM 28987 OH2 TIP3 2123 32.398 85.054 52.662 1.00 0.00 WT2 O ATOM 28988 H1 TIP3 2123 31.466 85.115 52.453 1.00 0.00 WT2 H ATOM 28989 H2 TIP3 2123 32.715 85.955 52.611 1.00 0.00 WT2 H ATOM 28990 OH2 TIP3 2124 41.491 78.333 -15.990 1.00 0.00 WT2 O ATOM 28991 H1 TIP3 2124 41.506 77.544 -15.449 1.00 0.00 WT2 H ATOM 28992 H2 TIP3 2124 42.152 78.174 -16.664 1.00 0.00 WT2 H ATOM 28993 OH2 TIP3 2125 23.574 18.293 -3.570 1.00 0.00 WT2 O ATOM 28994 H1 TIP3 2125 24.342 18.124 -4.116 1.00 0.00 WT2 H ATOM 28995 H2 TIP3 2125 23.823 19.044 -3.032 1.00 0.00 WT2 H ATOM 28996 OH2 TIP3 2126 70.271 76.921 2.068 1.00 0.00 WT2 O ATOM 28997 H1 TIP3 2126 69.716 76.171 1.857 1.00 0.00 WT2 H ATOM 28998 H2 TIP3 2126 70.465 76.821 3.001 1.00 0.00 WT2 H ATOM 28999 OH2 TIP3 2128 54.817 45.832 36.852 1.00 0.00 WT2 O ATOM 29000 H1 TIP3 2128 55.338 46.090 36.092 1.00 0.00 WT2 H ATOM 29001 H2 TIP3 2128 54.715 44.884 36.763 1.00 0.00 WT2 H ATOM 29002 OH2 TIP3 2129 75.680 35.232 23.180 1.00 0.00 WT2 O ATOM 29003 H1 TIP3 2129 75.821 35.747 22.386 1.00 0.00 WT2 H ATOM 29004 H2 TIP3 2129 74.908 34.700 22.987 1.00 0.00 WT2 H ATOM 29005 OH2 TIP3 2131 40.060 45.249 44.301 1.00 0.00 WT2 O ATOM 29006 H1 TIP3 2131 41.003 45.129 44.190 1.00 0.00 WT2 H ATOM 29007 H2 TIP3 2131 39.954 45.476 45.225 1.00 0.00 WT2 H ATOM 29008 OH2 TIP3 2143 34.798 53.834 50.195 1.00 0.00 WT2 O ATOM 29009 H1 TIP3 2143 35.476 53.534 50.800 1.00 0.00 WT2 H ATOM 29010 H2 TIP3 2143 34.008 53.898 50.732 1.00 0.00 WT2 H ATOM 29011 OH2 TIP3 2146 48.511 56.988 44.682 1.00 0.00 WT2 O ATOM 29012 H1 TIP3 2146 49.176 57.274 45.308 1.00 0.00 WT2 H ATOM 29013 H2 TIP3 2146 47.815 57.641 44.757 1.00 0.00 WT2 H ATOM 29014 OH2 TIP3 2148 22.407 76.399 39.684 1.00 0.00 WT2 O ATOM 29015 H1 TIP3 2148 23.138 75.953 39.255 1.00 0.00 WT2 H ATOM 29016 H2 TIP3 2148 22.799 77.177 40.079 1.00 0.00 WT2 H ATOM 29017 OH2 TIP3 2150 35.289 46.362 -13.877 1.00 0.00 WT2 O ATOM 29018 H1 TIP3 2150 36.237 46.481 -13.923 1.00 0.00 WT2 H ATOM 29019 H2 TIP3 2150 34.955 47.213 -13.591 1.00 0.00 WT2 H ATOM 29020 OH2 TIP3 2152 29.150 88.477 17.901 1.00 0.00 WT2 O ATOM 29021 H1 TIP3 2152 29.735 88.163 17.211 1.00 0.00 WT2 H ATOM 29022 H2 TIP3 2152 29.565 88.195 18.715 1.00 0.00 WT2 H ATOM 29023 OH2 TIP3 2163 44.468 79.922 59.399 1.00 0.00 WT2 O ATOM 29024 H1 TIP3 2163 43.806 80.426 59.872 1.00 0.00 WT2 H ATOM 29025 H2 TIP3 2163 44.022 79.626 58.605 1.00 0.00 WT2 H ATOM 29026 OH2 TIP3 2164 39.620 45.623 62.095 1.00 0.00 WT2 O ATOM 29027 H1 TIP3 2164 40.517 45.295 62.037 1.00 0.00 WT2 H ATOM 29028 H2 TIP3 2164 39.406 45.897 61.203 1.00 0.00 WT2 H ATOM 29029 OH2 TIP3 2165 50.603 28.976 50.658 1.00 0.00 WT2 O ATOM 29030 H1 TIP3 2165 50.200 28.368 50.039 1.00 0.00 WT2 H ATOM 29031 H2 TIP3 2165 49.889 29.555 50.926 1.00 0.00 WT2 H ATOM 29032 OH2 TIP3 2166 29.529 45.096 -8.911 1.00 0.00 WT2 O ATOM 29033 H1 TIP3 2166 29.489 45.631 -8.119 1.00 0.00 WT2 H ATOM 29034 H2 TIP3 2166 28.709 45.282 -9.369 1.00 0.00 WT2 H ATOM 29035 OH2 TIP3 2167 33.413 22.561 -19.900 1.00 0.00 WT2 O ATOM 29036 H1 TIP3 2167 32.573 22.175 -20.147 1.00 0.00 WT2 H ATOM 29037 H2 TIP3 2167 33.197 23.178 -19.200 1.00 0.00 WT2 H ATOM 29038 OH2 TIP3 2168 42.076 0.260 67.047 1.00 0.00 WT2 O ATOM 29039 H1 TIP3 2168 42.280 0.927 67.703 1.00 0.00 WT2 H ATOM 29040 H2 TIP3 2168 42.851 -0.301 67.026 1.00 0.00 WT2 H ATOM 29041 OH2 TIP3 2169 74.963 55.145 -18.830 1.00 0.00 WT2 O ATOM 29042 H1 TIP3 2169 75.502 55.172 -18.039 1.00 0.00 WT2 H ATOM 29043 H2 TIP3 2169 74.275 55.791 -18.673 1.00 0.00 WT2 H ATOM 29044 OH2 TIP3 2170 45.646 37.450 3.274 1.00 0.00 WT2 O ATOM 29045 H1 TIP3 2170 45.937 37.767 4.128 1.00 0.00 WT2 H ATOM 29046 H2 TIP3 2170 46.353 36.876 2.977 1.00 0.00 WT2 H ATOM 29047 OH2 TIP3 2183 39.259 54.511 -13.238 1.00 0.00 WT2 O ATOM 29048 H1 TIP3 2183 39.754 55.324 -13.137 1.00 0.00 WT2 H ATOM 29049 H2 TIP3 2183 39.183 54.163 -12.350 1.00 0.00 WT2 H ATOM 29050 OH2 TIP3 2185 29.641 49.537 16.512 1.00 0.00 WT2 O ATOM 29051 H1 TIP3 2185 30.192 50.283 16.748 1.00 0.00 WT2 H ATOM 29052 H2 TIP3 2185 30.256 48.873 16.200 1.00 0.00 WT2 H ATOM 29053 OH2 TIP3 2186 71.313 15.268 54.412 1.00 0.00 WT2 O ATOM 29054 H1 TIP3 2186 71.116 14.610 53.745 1.00 0.00 WT2 H ATOM 29055 H2 TIP3 2186 71.771 15.962 53.937 1.00 0.00 WT2 H ATOM 29056 OH2 TIP3 2187 79.374 82.134 9.559 1.00 0.00 WT2 O ATOM 29057 H1 TIP3 2187 79.037 81.343 9.137 1.00 0.00 WT2 H ATOM 29058 H2 TIP3 2187 80.191 81.857 9.972 1.00 0.00 WT2 H ATOM 29059 OH2 TIP3 2188 60.504 92.266 33.734 1.00 0.00 WT2 O ATOM 29060 H1 TIP3 2188 59.676 92.694 33.513 1.00 0.00 WT2 H ATOM 29061 H2 TIP3 2188 61.173 92.922 33.536 1.00 0.00 WT2 H ATOM 29062 OH2 TIP3 2189 80.471 58.700 -14.733 1.00 0.00 WT2 O ATOM 29063 H1 TIP3 2189 79.894 58.137 -15.249 1.00 0.00 WT2 H ATOM 29064 H2 TIP3 2189 79.973 58.889 -13.938 1.00 0.00 WT2 H ATOM 29065 OH2 TIP3 2190 44.674 52.105 32.495 1.00 0.00 WT2 O ATOM 29066 H1 TIP3 2190 44.996 51.369 31.975 1.00 0.00 WT2 H ATOM 29067 H2 TIP3 2190 44.574 52.818 31.864 1.00 0.00 WT2 H ATOM 29068 OH2 TIP3 2191 36.136 58.953 32.047 1.00 0.00 WT2 O ATOM 29069 H1 TIP3 2191 36.679 59.632 31.647 1.00 0.00 WT2 H ATOM 29070 H2 TIP3 2191 36.523 58.130 31.751 1.00 0.00 WT2 H ATOM 29071 OH2 TIP3 2193 49.900 28.225 -6.354 1.00 0.00 WT2 O ATOM 29072 H1 TIP3 2193 50.211 27.345 -6.566 1.00 0.00 WT2 H ATOM 29073 H2 TIP3 2193 49.247 28.089 -5.667 1.00 0.00 WT2 H ATOM 29074 OH2 TIP3 2205 82.186 47.188 24.295 1.00 0.00 WT2 O ATOM 29075 H1 TIP3 2205 81.414 47.726 24.121 1.00 0.00 WT2 H ATOM 29076 H2 TIP3 2205 82.097 46.930 25.212 1.00 0.00 WT2 H ATOM 29077 OH2 TIP3 2206 50.423 50.567 26.222 1.00 0.00 WT2 O ATOM 29078 H1 TIP3 2206 50.797 50.069 25.496 1.00 0.00 WT2 H ATOM 29079 H2 TIP3 2206 50.237 49.910 26.893 1.00 0.00 WT2 H ATOM 29080 OH2 TIP3 2207 39.562 19.490 57.862 1.00 0.00 WT2 O ATOM 29081 H1 TIP3 2207 40.369 19.033 57.627 1.00 0.00 WT2 H ATOM 29082 H2 TIP3 2207 38.964 18.796 58.137 1.00 0.00 WT2 H ATOM 29083 OH2 TIP3 2208 37.463 56.251 56.037 1.00 0.00 WT2 O ATOM 29084 H1 TIP3 2208 37.532 57.108 55.615 1.00 0.00 WT2 H ATOM 29085 H2 TIP3 2208 37.250 56.450 56.948 1.00 0.00 WT2 H ATOM 29086 OH2 TIP3 2209 43.597 14.923 41.158 1.00 0.00 WT2 O ATOM 29087 H1 TIP3 2209 43.434 15.439 40.369 1.00 0.00 WT2 H ATOM 29088 H2 TIP3 2209 42.727 14.655 41.454 1.00 0.00 WT2 H ATOM 29089 OH2 TIP3 2227 87.965 2.722 52.630 1.00 0.00 WT2 O ATOM 29090 H1 TIP3 2227 87.022 2.745 52.791 1.00 0.00 WT2 H ATOM 29091 H2 TIP3 2227 88.226 1.830 52.859 1.00 0.00 WT2 H ATOM 29092 OH2 TIP3 2228 72.476 64.672 46.694 1.00 0.00 WT2 O ATOM 29093 H1 TIP3 2228 72.976 64.311 45.961 1.00 0.00 WT2 H ATOM 29094 H2 TIP3 2228 71.561 64.560 46.438 1.00 0.00 WT2 H ATOM 29095 OH2 TIP3 2229 36.061 1.975 53.706 1.00 0.00 WT2 O ATOM 29096 H1 TIP3 2229 35.940 2.918 53.819 1.00 0.00 WT2 H ATOM 29097 H2 TIP3 2229 35.244 1.588 54.021 1.00 0.00 WT2 H ATOM 29098 OH2 TIP3 2230 58.336 47.876 -17.693 1.00 0.00 WT2 O ATOM 29099 H1 TIP3 2230 58.658 47.447 -18.486 1.00 0.00 WT2 H ATOM 29100 H2 TIP3 2230 59.114 48.274 -17.303 1.00 0.00 WT2 H ATOM 29101 OH2 TIP3 2231 28.278 83.060 16.290 1.00 0.00 WT2 O ATOM 29102 H1 TIP3 2231 27.929 82.307 15.813 1.00 0.00 WT2 H ATOM 29103 H2 TIP3 2231 28.498 82.715 17.155 1.00 0.00 WT2 H ATOM 29104 OH2 TIP3 2232 41.579 87.756 18.955 1.00 0.00 WT2 O ATOM 29105 H1 TIP3 2232 42.263 87.571 18.311 1.00 0.00 WT2 H ATOM 29106 H2 TIP3 2232 41.799 87.203 19.705 1.00 0.00 WT2 H ATOM 29107 OH2 TIP3 2233 47.700 41.391 -2.971 1.00 0.00 WT2 O ATOM 29108 H1 TIP3 2233 47.180 41.135 -2.209 1.00 0.00 WT2 H ATOM 29109 H2 TIP3 2233 48.574 41.559 -2.619 1.00 0.00 WT2 H ATOM 29110 OH2 TIP3 2244 43.245 43.841 -11.556 1.00 0.00 WT2 O ATOM 29111 H1 TIP3 2244 42.299 43.780 -11.693 1.00 0.00 WT2 H ATOM 29112 H2 TIP3 2244 43.523 44.559 -12.126 1.00 0.00 WT2 H ATOM 29113 OH2 TIP3 2250 22.824 42.462 24.665 1.00 0.00 WT2 O ATOM 29114 H1 TIP3 2250 22.700 43.189 25.275 1.00 0.00 WT2 H ATOM 29115 H2 TIP3 2250 23.546 41.955 25.038 1.00 0.00 WT2 H ATOM 29116 OH2 TIP3 2251 62.943 9.572 56.698 1.00 0.00 WT2 O ATOM 29117 H1 TIP3 2251 63.435 9.049 56.066 1.00 0.00 WT2 H ATOM 29118 H2 TIP3 2251 62.322 8.957 57.088 1.00 0.00 WT2 H ATOM 29119 OH2 TIP3 2252 83.323 47.657 32.243 1.00 0.00 WT2 O ATOM 29120 H1 TIP3 2252 83.443 48.298 31.543 1.00 0.00 WT2 H ATOM 29121 H2 TIP3 2252 84.148 47.172 32.269 1.00 0.00 WT2 H ATOM 29122 OH2 TIP3 2253 40.024 16.344 42.700 1.00 0.00 WT2 O ATOM 29123 H1 TIP3 2253 40.647 16.951 42.300 1.00 0.00 WT2 H ATOM 29124 H2 TIP3 2253 39.164 16.696 42.470 1.00 0.00 WT2 H ATOM 29125 OH2 TIP3 2254 49.717 29.282 60.398 1.00 0.00 WT2 O ATOM 29126 H1 TIP3 2254 49.069 28.795 59.888 1.00 0.00 WT2 H ATOM 29127 H2 TIP3 2254 49.953 30.024 59.841 1.00 0.00 WT2 H ATOM 29128 OH2 TIP3 2255 58.599 63.869 52.354 1.00 0.00 WT2 O ATOM 29129 H1 TIP3 2255 58.722 64.815 52.279 1.00 0.00 WT2 H ATOM 29130 H2 TIP3 2255 57.918 63.664 51.714 1.00 0.00 WT2 H ATOM 29131 OH2 TIP3 2269 85.405 49.752 61.264 1.00 0.00 WT2 O ATOM 29132 H1 TIP3 2269 86.137 50.281 61.581 1.00 0.00 WT2 H ATOM 29133 H2 TIP3 2269 85.442 49.839 60.311 1.00 0.00 WT2 H ATOM 29134 OH2 TIP3 2270 62.593 48.449 41.443 1.00 0.00 WT2 O ATOM 29135 H1 TIP3 2270 62.601 49.051 40.698 1.00 0.00 WT2 H ATOM 29136 H2 TIP3 2270 62.142 47.671 41.117 1.00 0.00 WT2 H ATOM 29137 OH2 TIP3 2271 35.854 92.502 12.246 1.00 0.00 WT2 O ATOM 29138 H1 TIP3 2271 36.068 91.571 12.316 1.00 0.00 WT2 H ATOM 29139 H2 TIP3 2271 36.696 92.932 12.100 1.00 0.00 WT2 H ATOM 29140 OH2 TIP3 2272 84.013 48.266 45.333 1.00 0.00 WT2 O ATOM 29141 H1 TIP3 2272 84.247 47.533 44.763 1.00 0.00 WT2 H ATOM 29142 H2 TIP3 2272 84.821 48.472 45.802 1.00 0.00 WT2 H ATOM 29143 OH2 TIP3 2273 64.383 55.027 3.586 1.00 0.00 WT2 O ATOM 29144 H1 TIP3 2273 64.485 54.077 3.528 1.00 0.00 WT2 H ATOM 29145 H2 TIP3 2273 65.278 55.361 3.638 1.00 0.00 WT2 H ATOM 29146 OH2 TIP3 2274 42.339 68.753 62.271 1.00 0.00 WT2 O ATOM 29147 H1 TIP3 2274 41.511 68.766 61.792 1.00 0.00 WT2 H ATOM 29148 H2 TIP3 2274 42.115 69.068 63.147 1.00 0.00 WT2 H ATOM 29149 OH2 TIP3 2275 54.601 18.052 63.100 1.00 0.00 WT2 O ATOM 29150 H1 TIP3 2275 55.112 17.771 62.341 1.00 0.00 WT2 H ATOM 29151 H2 TIP3 2275 53.705 17.785 62.898 1.00 0.00 WT2 H ATOM 29152 OH2 TIP3 2276 66.422 16.151 -9.887 1.00 0.00 WT2 O ATOM 29153 H1 TIP3 2276 66.055 15.331 -9.558 1.00 0.00 WT2 H ATOM 29154 H2 TIP3 2276 66.262 16.784 -9.187 1.00 0.00 WT2 H ATOM 29155 OH2 TIP3 2277 80.826 20.584 8.456 1.00 0.00 WT2 O ATOM 29156 H1 TIP3 2277 81.557 20.662 9.069 1.00 0.00 WT2 H ATOM 29157 H2 TIP3 2277 80.115 20.212 8.978 1.00 0.00 WT2 H ATOM 29158 OH2 TIP3 2280 45.328 95.392 39.549 1.00 0.00 WT2 O ATOM 29159 H1 TIP3 2280 45.164 95.603 38.629 1.00 0.00 WT2 H ATOM 29160 H2 TIP3 2280 45.125 94.460 39.621 1.00 0.00 WT2 H ATOM 29161 OH2 TIP3 2288 68.676 90.808 17.880 1.00 0.00 WT2 O ATOM 29162 H1 TIP3 2288 69.526 91.192 17.660 1.00 0.00 WT2 H ATOM 29163 H2 TIP3 2288 68.865 90.205 18.599 1.00 0.00 WT2 H ATOM 29164 OH2 TIP3 2290 73.703 71.478 12.763 1.00 0.00 WT2 O ATOM 29165 H1 TIP3 2290 72.948 71.997 12.486 1.00 0.00 WT2 H ATOM 29166 H2 TIP3 2290 73.503 71.228 13.666 1.00 0.00 WT2 H ATOM 29167 OH2 TIP3 2292 30.653 8.264 61.308 1.00 0.00 WT2 O ATOM 29168 H1 TIP3 2292 30.101 8.839 60.778 1.00 0.00 WT2 H ATOM 29169 H2 TIP3 2292 31.509 8.291 60.880 1.00 0.00 WT2 H ATOM 29170 OH2 TIP3 2293 31.458 81.168 50.581 1.00 0.00 WT2 O ATOM 29171 H1 TIP3 2293 31.158 80.443 50.033 1.00 0.00 WT2 H ATOM 29172 H2 TIP3 2293 31.361 81.944 50.027 1.00 0.00 WT2 H ATOM 29173 OH2 TIP3 2294 32.871 5.639 41.862 1.00 0.00 WT2 O ATOM 29174 H1 TIP3 2294 32.989 6.434 42.381 1.00 0.00 WT2 H ATOM 29175 H2 TIP3 2294 32.863 5.943 40.954 1.00 0.00 WT2 H ATOM 29176 OH2 TIP3 2296 90.566 67.286 18.265 1.00 0.00 WT2 O ATOM 29177 H1 TIP3 2296 90.009 67.212 17.490 1.00 0.00 WT2 H ATOM 29178 H2 TIP3 2296 90.411 66.475 18.750 1.00 0.00 WT2 H ATOM 29179 OH2 TIP3 2309 89.048 52.785 22.337 1.00 0.00 WT2 O ATOM 29180 H1 TIP3 2309 89.267 53.587 21.863 1.00 0.00 WT2 H ATOM 29181 H2 TIP3 2309 88.108 52.856 22.506 1.00 0.00 WT2 H ATOM 29182 OH2 TIP3 2311 41.684 78.799 46.818 1.00 0.00 WT2 O ATOM 29183 H1 TIP3 2311 41.345 78.040 46.344 1.00 0.00 WT2 H ATOM 29184 H2 TIP3 2311 41.315 79.553 46.358 1.00 0.00 WT2 H ATOM 29185 OH2 TIP3 2312 89.356 14.928 -20.157 1.00 0.00 WT2 O ATOM 29186 H1 TIP3 2312 89.581 14.572 -19.297 1.00 0.00 WT2 H ATOM 29187 H2 TIP3 2312 89.825 15.761 -20.202 1.00 0.00 WT2 H ATOM 29188 OH2 TIP3 2313 85.729 67.004 36.334 1.00 0.00 WT2 O ATOM 29189 H1 TIP3 2313 86.458 66.428 36.103 1.00 0.00 WT2 H ATOM 29190 H2 TIP3 2313 84.995 66.410 36.494 1.00 0.00 WT2 H ATOM 29191 OH2 TIP3 2314 23.753 18.786 9.991 1.00 0.00 WT2 O ATOM 29192 H1 TIP3 2314 24.626 18.569 10.318 1.00 0.00 WT2 H ATOM 29193 H2 TIP3 2314 23.572 18.120 9.327 1.00 0.00 WT2 H ATOM 29194 OH2 TIP3 2315 33.714 51.886 66.362 1.00 0.00 WT2 O ATOM 29195 H1 TIP3 2315 34.363 51.352 66.820 1.00 0.00 WT2 H ATOM 29196 H2 TIP3 2315 33.141 52.214 67.055 1.00 0.00 WT2 H ATOM 29197 OH2 TIP3 2316 66.967 25.792 23.919 1.00 0.00 WT2 O ATOM 29198 H1 TIP3 2316 67.237 24.970 23.510 1.00 0.00 WT2 H ATOM 29199 H2 TIP3 2316 67.541 25.881 24.680 1.00 0.00 WT2 H ATOM 29200 OH2 TIP3 2317 70.937 76.854 8.691 1.00 0.00 WT2 O ATOM 29201 H1 TIP3 2317 70.022 77.132 8.646 1.00 0.00 WT2 H ATOM 29202 H2 TIP3 2317 70.958 76.214 9.402 1.00 0.00 WT2 H ATOM 29203 OH2 TIP3 2318 31.646 78.954 -10.563 1.00 0.00 WT2 O ATOM 29204 H1 TIP3 2318 30.953 78.704 -9.952 1.00 0.00 WT2 H ATOM 29205 H2 TIP3 2318 32.001 79.767 -10.203 1.00 0.00 WT2 H ATOM 29206 OH2 TIP3 2319 47.253 12.219 21.184 1.00 0.00 WT2 O ATOM 29207 H1 TIP3 2319 47.620 13.071 20.949 1.00 0.00 WT2 H ATOM 29208 H2 TIP3 2319 46.357 12.243 20.849 1.00 0.00 WT2 H ATOM 29209 OH2 TIP3 2329 76.397 48.010 4.418 1.00 0.00 WT2 O ATOM 29210 H1 TIP3 2329 76.833 48.390 5.181 1.00 0.00 WT2 H ATOM 29211 H2 TIP3 2329 76.096 48.765 3.913 1.00 0.00 WT2 H ATOM 29212 OH2 TIP3 2331 50.273 36.515 13.889 1.00 0.00 WT2 O ATOM 29213 H1 TIP3 2331 49.595 36.911 14.438 1.00 0.00 WT2 H ATOM 29214 H2 TIP3 2331 50.329 35.609 14.194 1.00 0.00 WT2 H ATOM 29215 OH2 TIP3 2332 44.030 85.617 -4.582 1.00 0.00 WT2 O ATOM 29216 H1 TIP3 2332 44.489 85.883 -3.785 1.00 0.00 WT2 H ATOM 29217 H2 TIP3 2332 43.199 85.258 -4.272 1.00 0.00 WT2 H ATOM 29218 OH2 TIP3 2333 60.742 41.975 23.332 1.00 0.00 WT2 O ATOM 29219 H1 TIP3 2333 60.700 42.781 22.816 1.00 0.00 WT2 H ATOM 29220 H2 TIP3 2333 59.841 41.654 23.348 1.00 0.00 WT2 H ATOM 29221 OH2 TIP3 2335 71.441 90.502 -2.245 1.00 0.00 WT2 O ATOM 29222 H1 TIP3 2335 72.238 90.741 -2.719 1.00 0.00 WT2 H ATOM 29223 H2 TIP3 2335 70.730 90.714 -2.850 1.00 0.00 WT2 H ATOM 29224 OH2 TIP3 2336 30.996 67.287 28.574 1.00 0.00 WT2 O ATOM 29225 H1 TIP3 2336 31.739 67.679 28.114 1.00 0.00 WT2 H ATOM 29226 H2 TIP3 2336 31.333 66.456 28.909 1.00 0.00 WT2 H ATOM 29227 OH2 TIP3 2337 53.058 38.056 59.995 1.00 0.00 WT2 O ATOM 29228 H1 TIP3 2337 52.354 37.583 60.439 1.00 0.00 WT2 H ATOM 29229 H2 TIP3 2337 53.046 38.929 60.387 1.00 0.00 WT2 H ATOM 29230 OH2 TIP3 2338 22.621 33.220 20.020 1.00 0.00 WT2 O ATOM 29231 H1 TIP3 2338 22.677 34.103 20.385 1.00 0.00 WT2 H ATOM 29232 H2 TIP3 2338 21.855 33.246 19.446 1.00 0.00 WT2 H ATOM 29233 OH2 TIP3 2339 41.442 5.493 49.219 1.00 0.00 WT2 O ATOM 29234 H1 TIP3 2339 40.706 4.883 49.273 1.00 0.00 WT2 H ATOM 29235 H2 TIP3 2339 41.037 6.343 49.049 1.00 0.00 WT2 H ATOM 29236 OH2 TIP3 2351 34.695 19.844 39.705 1.00 0.00 WT2 O ATOM 29237 H1 TIP3 2351 35.259 19.338 39.121 1.00 0.00 WT2 H ATOM 29238 H2 TIP3 2351 34.956 20.754 39.561 1.00 0.00 WT2 H ATOM 29239 OH2 TIP3 2352 62.285 80.870 -19.470 1.00 0.00 WT2 O ATOM 29240 H1 TIP3 2352 61.709 80.339 -18.920 1.00 0.00 WT2 H ATOM 29241 H2 TIP3 2352 62.019 81.773 -19.295 1.00 0.00 WT2 H ATOM 29242 OH2 TIP3 2354 43.129 24.350 1.159 1.00 0.00 WT2 O ATOM 29243 H1 TIP3 2354 42.622 24.146 1.944 1.00 0.00 WT2 H ATOM 29244 H2 TIP3 2354 43.181 25.306 1.147 1.00 0.00 WT2 H ATOM 29245 OH2 TIP3 2355 41.202 38.882 3.772 1.00 0.00 WT2 O ATOM 29246 H1 TIP3 2355 42.072 38.700 4.127 1.00 0.00 WT2 H ATOM 29247 H2 TIP3 2355 40.691 39.174 4.527 1.00 0.00 WT2 H ATOM 29248 OH2 TIP3 2357 21.345 87.486 -11.264 1.00 0.00 WT2 O ATOM 29249 H1 TIP3 2357 20.962 88.302 -10.943 1.00 0.00 WT2 H ATOM 29250 H2 TIP3 2357 20.826 87.265 -12.038 1.00 0.00 WT2 H ATOM 29251 OH2 TIP3 2358 32.462 2.872 54.901 1.00 0.00 WT2 O ATOM 29252 H1 TIP3 2358 31.842 3.119 55.587 1.00 0.00 WT2 H ATOM 29253 H2 TIP3 2358 33.278 2.694 55.368 1.00 0.00 WT2 H ATOM 29254 OH2 TIP3 2359 70.264 37.320 64.223 1.00 0.00 WT2 O ATOM 29255 H1 TIP3 2359 69.522 37.793 63.845 1.00 0.00 WT2 H ATOM 29256 H2 TIP3 2359 70.175 37.449 65.167 1.00 0.00 WT2 H ATOM 29257 OH2 TIP3 2376 28.567 43.364 50.717 1.00 0.00 WT2 O ATOM 29258 H1 TIP3 2376 28.388 42.425 50.767 1.00 0.00 WT2 H ATOM 29259 H2 TIP3 2376 28.943 43.492 49.846 1.00 0.00 WT2 H ATOM 29260 OH2 TIP3 2377 68.969 5.606 42.254 1.00 0.00 WT2 O ATOM 29261 H1 TIP3 2377 68.455 4.934 41.808 1.00 0.00 WT2 H ATOM 29262 H2 TIP3 2377 68.822 6.401 41.740 1.00 0.00 WT2 H ATOM 29263 OH2 TIP3 2378 54.808 95.557 62.632 1.00 0.00 WT2 O ATOM 29264 H1 TIP3 2378 54.356 95.545 61.788 1.00 0.00 WT2 H ATOM 29265 H2 TIP3 2378 55.331 96.359 62.613 1.00 0.00 WT2 H ATOM 29266 OH2 TIP3 2380 59.943 4.842 41.131 1.00 0.00 WT2 O ATOM 29267 H1 TIP3 2380 58.999 4.975 41.212 1.00 0.00 WT2 H ATOM 29268 H2 TIP3 2380 60.281 4.971 42.017 1.00 0.00 WT2 H ATOM 29269 OH2 TIP3 2395 43.281 39.474 44.764 1.00 0.00 WT2 O ATOM 29270 H1 TIP3 2395 42.403 39.782 44.987 1.00 0.00 WT2 H ATOM 29271 H2 TIP3 2395 43.772 39.535 45.583 1.00 0.00 WT2 H ATOM 29272 OH2 TIP3 2397 29.767 48.352 12.599 1.00 0.00 WT2 O ATOM 29273 H1 TIP3 2397 30.453 48.282 13.262 1.00 0.00 WT2 H ATOM 29274 H2 TIP3 2397 28.995 48.648 13.082 1.00 0.00 WT2 H ATOM 29275 OH2 TIP3 2398 77.060 96.126 6.566 1.00 0.00 WT2 O ATOM 29276 H1 TIP3 2398 77.966 96.037 6.271 1.00 0.00 WT2 H ATOM 29277 H2 TIP3 2398 77.131 96.427 7.472 1.00 0.00 WT2 H ATOM 29278 OH2 TIP3 2399 55.916 19.155 -8.922 1.00 0.00 WT2 O ATOM 29279 H1 TIP3 2399 56.756 19.614 -8.917 1.00 0.00 WT2 H ATOM 29280 H2 TIP3 2399 55.339 19.718 -9.438 1.00 0.00 WT2 H ATOM 29281 OH2 TIP3 2400 27.524 87.104 55.958 1.00 0.00 WT2 O ATOM 29282 H1 TIP3 2400 26.677 87.542 56.041 1.00 0.00 WT2 H ATOM 29283 H2 TIP3 2400 27.712 87.123 55.020 1.00 0.00 WT2 H ATOM 29284 OH2 TIP3 2416 39.772 66.197 8.214 1.00 0.00 WT2 O ATOM 29285 H1 TIP3 2416 40.638 66.130 7.812 1.00 0.00 WT2 H ATOM 29286 H2 TIP3 2416 39.950 66.301 9.149 1.00 0.00 WT2 H ATOM 29287 OH2 TIP3 2417 21.464 31.992 23.595 1.00 0.00 WT2 O ATOM 29288 H1 TIP3 2417 20.985 32.549 24.209 1.00 0.00 WT2 H ATOM 29289 H2 TIP3 2417 22.206 32.527 23.315 1.00 0.00 WT2 H ATOM 29290 OH2 TIP3 2418 85.592 44.662 -7.103 1.00 0.00 WT2 O ATOM 29291 H1 TIP3 2418 84.963 45.308 -7.425 1.00 0.00 WT2 H ATOM 29292 H2 TIP3 2418 85.340 44.517 -6.191 1.00 0.00 WT2 H ATOM 29293 OH2 TIP3 2419 61.044 87.220 39.146 1.00 0.00 WT2 O ATOM 29294 H1 TIP3 2419 61.461 86.395 38.900 1.00 0.00 WT2 H ATOM 29295 H2 TIP3 2419 61.425 87.438 39.996 1.00 0.00 WT2 H ATOM 29296 OH2 TIP3 2421 37.463 43.046 67.391 1.00 0.00 WT2 O ATOM 29297 H1 TIP3 2421 38.111 43.750 67.377 1.00 0.00 WT2 H ATOM 29298 H2 TIP3 2421 37.925 42.288 67.032 1.00 0.00 WT2 H ATOM 29299 OH2 TIP3 2423 53.281 10.951 5.177 1.00 0.00 WT2 O ATOM 29300 H1 TIP3 2423 52.989 11.800 5.510 1.00 0.00 WT2 H ATOM 29301 H2 TIP3 2423 53.002 10.324 5.843 1.00 0.00 WT2 H ATOM 29302 OH2 TIP3 2436 55.106 71.732 58.380 1.00 0.00 WT2 O ATOM 29303 H1 TIP3 2436 55.946 71.332 58.152 1.00 0.00 WT2 H ATOM 29304 H2 TIP3 2436 55.217 72.659 58.170 1.00 0.00 WT2 H ATOM 29305 OH2 TIP3 2438 90.011 43.019 -19.636 1.00 0.00 WT2 O ATOM 29306 H1 TIP3 2438 89.868 42.398 -18.922 1.00 0.00 WT2 H ATOM 29307 H2 TIP3 2438 89.924 43.880 -19.226 1.00 0.00 WT2 H ATOM 29308 OH2 TIP3 2440 86.753 20.356 47.145 1.00 0.00 WT2 O ATOM 29309 H1 TIP3 2440 86.691 21.300 47.296 1.00 0.00 WT2 H ATOM 29310 H2 TIP3 2440 86.880 20.273 46.199 1.00 0.00 WT2 H ATOM 29311 OH2 TIP3 2441 47.706 7.989 34.177 1.00 0.00 WT2 O ATOM 29312 H1 TIP3 2441 48.450 8.565 34.355 1.00 0.00 WT2 H ATOM 29313 H2 TIP3 2441 48.041 7.107 34.341 1.00 0.00 WT2 H ATOM 29314 OH2 TIP3 2442 68.839 23.761 53.968 1.00 0.00 WT2 O ATOM 29315 H1 TIP3 2442 69.632 24.011 54.442 1.00 0.00 WT2 H ATOM 29316 H2 TIP3 2442 68.739 24.434 53.294 1.00 0.00 WT2 H ATOM 29317 OH2 TIP3 2447 35.783 19.754 17.239 1.00 0.00 WT2 O ATOM 29318 H1 TIP3 2447 36.249 20.391 16.697 1.00 0.00 WT2 H ATOM 29319 H2 TIP3 2447 35.265 20.287 17.842 1.00 0.00 WT2 H ATOM 29320 OH2 TIP3 2458 70.778 50.357 58.520 1.00 0.00 WT2 O ATOM 29321 H1 TIP3 2458 70.422 51.217 58.299 1.00 0.00 WT2 H ATOM 29322 H2 TIP3 2458 70.270 49.743 57.990 1.00 0.00 WT2 H ATOM 29323 OH2 TIP3 2459 81.286 25.220 62.080 1.00 0.00 WT2 O ATOM 29324 H1 TIP3 2459 81.401 26.170 62.051 1.00 0.00 WT2 H ATOM 29325 H2 TIP3 2459 81.053 25.034 62.989 1.00 0.00 WT2 H ATOM 29326 OH2 TIP3 2460 60.721 42.328 65.241 1.00 0.00 WT2 O ATOM 29327 H1 TIP3 2460 59.942 42.088 64.739 1.00 0.00 WT2 H ATOM 29328 H2 TIP3 2460 60.709 43.285 65.259 1.00 0.00 WT2 H ATOM 29329 OH2 TIP3 2461 78.865 73.664 11.980 1.00 0.00 WT2 O ATOM 29330 H1 TIP3 2461 78.028 74.123 12.049 1.00 0.00 WT2 H ATOM 29331 H2 TIP3 2461 79.055 73.650 11.042 1.00 0.00 WT2 H ATOM 29332 OH2 TIP3 2463 64.296 71.098 -15.213 1.00 0.00 WT2 O ATOM 29333 H1 TIP3 2463 63.342 71.173 -15.176 1.00 0.00 WT2 H ATOM 29334 H2 TIP3 2463 64.465 70.158 -15.138 1.00 0.00 WT2 H ATOM 29335 OH2 TIP3 2465 73.948 23.925 -19.104 1.00 0.00 WT2 O ATOM 29336 H1 TIP3 2465 73.650 23.782 -20.002 1.00 0.00 WT2 H ATOM 29337 H2 TIP3 2465 74.716 23.360 -19.014 1.00 0.00 WT2 H ATOM 29338 OH2 TIP3 2477 61.718 64.193 34.109 1.00 0.00 WT2 O ATOM 29339 H1 TIP3 2477 61.593 63.510 33.450 1.00 0.00 WT2 H ATOM 29340 H2 TIP3 2477 61.085 64.871 33.874 1.00 0.00 WT2 H ATOM 29341 OH2 TIP3 2480 79.308 71.812 67.414 1.00 0.00 WT2 O ATOM 29342 H1 TIP3 2480 79.168 71.797 66.467 1.00 0.00 WT2 H ATOM 29343 H2 TIP3 2480 79.096 70.924 67.702 1.00 0.00 WT2 H ATOM 29344 OH2 TIP3 2482 46.793 35.038 39.986 1.00 0.00 WT2 O ATOM 29345 H1 TIP3 2482 46.969 35.946 39.740 1.00 0.00 WT2 H ATOM 29346 H2 TIP3 2482 47.544 34.549 39.649 1.00 0.00 WT2 H ATOM 29347 OH2 TIP3 2483 53.993 45.265 64.392 1.00 0.00 WT2 O ATOM 29348 H1 TIP3 2483 54.648 44.616 64.646 1.00 0.00 WT2 H ATOM 29349 H2 TIP3 2483 53.758 45.702 65.211 1.00 0.00 WT2 H ATOM 29350 OH2 TIP3 2484 29.104 46.562 61.430 1.00 0.00 WT2 O ATOM 29351 H1 TIP3 2484 28.637 47.032 62.121 1.00 0.00 WT2 H ATOM 29352 H2 TIP3 2484 29.936 47.028 61.344 1.00 0.00 WT2 H ATOM 29353 OH2 TIP3 2499 86.352 67.235 59.106 1.00 0.00 WT2 O ATOM 29354 H1 TIP3 2499 86.416 66.724 59.912 1.00 0.00 WT2 H ATOM 29355 H2 TIP3 2499 86.104 68.112 59.397 1.00 0.00 WT2 H ATOM 29356 OH2 TIP3 2500 34.691 42.055 5.857 1.00 0.00 WT2 O ATOM 29357 H1 TIP3 2500 35.622 42.177 6.040 1.00 0.00 WT2 H ATOM 29358 H2 TIP3 2500 34.371 42.931 5.642 1.00 0.00 WT2 H ATOM 29359 OH2 TIP3 2503 20.600 18.461 48.839 1.00 0.00 WT2 O ATOM 29360 H1 TIP3 2503 20.291 18.599 47.944 1.00 0.00 WT2 H ATOM 29361 H2 TIP3 2503 20.399 19.280 49.292 1.00 0.00 WT2 H ATOM 29362 OH2 TIP3 2508 61.013 94.879 37.516 1.00 0.00 WT2 O ATOM 29363 H1 TIP3 2508 61.762 95.453 37.674 1.00 0.00 WT2 H ATOM 29364 H2 TIP3 2508 60.250 95.448 37.608 1.00 0.00 WT2 H ATOM 29365 OH2 TIP3 2519 40.684 5.027 -12.352 1.00 0.00 WT2 O ATOM 29366 H1 TIP3 2519 41.059 4.786 -11.505 1.00 0.00 WT2 H ATOM 29367 H2 TIP3 2519 40.504 5.964 -12.277 1.00 0.00 WT2 H ATOM 29368 OH2 TIP3 2521 52.758 82.038 -13.561 1.00 0.00 WT2 O ATOM 29369 H1 TIP3 2521 52.112 81.428 -13.203 1.00 0.00 WT2 H ATOM 29370 H2 TIP3 2521 53.496 81.990 -12.953 1.00 0.00 WT2 H ATOM 29371 OH2 TIP3 2522 79.840 56.746 46.394 1.00 0.00 WT2 O ATOM 29372 H1 TIP3 2522 79.704 57.667 46.171 1.00 0.00 WT2 H ATOM 29373 H2 TIP3 2522 79.017 56.475 46.802 1.00 0.00 WT2 H ATOM 29374 OH2 TIP3 2523 29.234 0.250 40.982 1.00 0.00 WT2 O ATOM 29375 H1 TIP3 2523 30.160 0.246 40.738 1.00 0.00 WT2 H ATOM 29376 H2 TIP3 2523 29.057 1.156 41.234 1.00 0.00 WT2 H ATOM 29377 OH2 TIP3 2525 38.224 14.199 -17.680 1.00 0.00 WT2 O ATOM 29378 H1 TIP3 2525 37.395 14.209 -18.157 1.00 0.00 WT2 H ATOM 29379 H2 TIP3 2525 38.193 14.980 -17.127 1.00 0.00 WT2 H ATOM 29380 OH2 TIP3 2526 26.172 78.630 26.706 1.00 0.00 WT2 O ATOM 29381 H1 TIP3 2526 25.487 79.084 26.215 1.00 0.00 WT2 H ATOM 29382 H2 TIP3 2526 26.194 77.750 26.329 1.00 0.00 WT2 H ATOM 29383 OH2 TIP3 2527 27.716 28.392 48.036 1.00 0.00 WT2 O ATOM 29384 H1 TIP3 2527 26.809 28.139 47.863 1.00 0.00 WT2 H ATOM 29385 H2 TIP3 2527 28.035 28.727 47.199 1.00 0.00 WT2 H ATOM 29386 OH2 TIP3 2528 29.715 50.305 5.174 1.00 0.00 WT2 O ATOM 29387 H1 TIP3 2528 30.461 49.707 5.130 1.00 0.00 WT2 H ATOM 29388 H2 TIP3 2528 29.994 50.993 5.778 1.00 0.00 WT2 H ATOM 29389 OH2 TIP3 2529 37.973 6.834 36.344 1.00 0.00 WT2 O ATOM 29390 H1 TIP3 2529 37.243 6.222 36.247 1.00 0.00 WT2 H ATOM 29391 H2 TIP3 2529 37.562 7.698 36.342 1.00 0.00 WT2 H ATOM 29392 OH2 TIP3 2539 57.498 74.564 -18.186 1.00 0.00 WT2 O ATOM 29393 H1 TIP3 2539 57.826 74.062 -17.440 1.00 0.00 WT2 H ATOM 29394 H2 TIP3 2539 57.039 75.306 -17.792 1.00 0.00 WT2 H ATOM 29395 OH2 TIP3 2540 77.358 68.366 42.131 1.00 0.00 WT2 O ATOM 29396 H1 TIP3 2540 77.140 69.222 41.763 1.00 0.00 WT2 H ATOM 29397 H2 TIP3 2540 78.105 68.536 42.705 1.00 0.00 WT2 H ATOM 29398 OH2 TIP3 2541 47.715 57.415 -17.454 1.00 0.00 WT2 O ATOM 29399 H1 TIP3 2541 48.267 57.027 -16.775 1.00 0.00 WT2 H ATOM 29400 H2 TIP3 2541 46.939 57.723 -16.986 1.00 0.00 WT2 H ATOM 29401 OH2 TIP3 2544 74.559 58.055 51.893 1.00 0.00 WT2 O ATOM 29402 H1 TIP3 2544 74.863 58.049 50.986 1.00 0.00 WT2 H ATOM 29403 H2 TIP3 2544 74.320 57.145 52.072 1.00 0.00 WT2 H ATOM 29404 OH2 TIP3 2545 51.110 81.727 -1.335 1.00 0.00 WT2 O ATOM 29405 H1 TIP3 2545 50.322 81.276 -1.639 1.00 0.00 WT2 H ATOM 29406 H2 TIP3 2545 51.829 81.145 -1.581 1.00 0.00 WT2 H ATOM 29407 OH2 TIP3 2547 87.787 55.798 54.379 1.00 0.00 WT2 O ATOM 29408 H1 TIP3 2547 88.032 54.891 54.557 1.00 0.00 WT2 H ATOM 29409 H2 TIP3 2547 86.909 55.887 54.751 1.00 0.00 WT2 H ATOM 29410 OH2 TIP3 2548 82.255 89.745 61.922 1.00 0.00 WT2 O ATOM 29411 H1 TIP3 2548 82.243 89.387 61.034 1.00 0.00 WT2 H ATOM 29412 H2 TIP3 2548 81.773 89.105 62.446 1.00 0.00 WT2 H ATOM 29413 OH2 TIP3 2562 77.454 31.964 -4.622 1.00 0.00 WT2 O ATOM 29414 H1 TIP3 2562 78.146 31.304 -4.676 1.00 0.00 WT2 H ATOM 29415 H2 TIP3 2562 76.872 31.761 -5.354 1.00 0.00 WT2 H ATOM 29416 OH2 TIP3 2563 39.999 52.907 8.981 1.00 0.00 WT2 O ATOM 29417 H1 TIP3 2563 40.650 53.417 9.463 1.00 0.00 WT2 H ATOM 29418 H2 TIP3 2563 39.831 52.146 9.537 1.00 0.00 WT2 H ATOM 29419 OH2 TIP3 2564 32.357 44.417 -15.168 1.00 0.00 WT2 O ATOM 29420 H1 TIP3 2564 32.538 45.337 -15.358 1.00 0.00 WT2 H ATOM 29421 H2 TIP3 2564 31.441 44.404 -14.890 1.00 0.00 WT2 H ATOM 29422 OH2 TIP3 2565 42.125 37.143 0.606 1.00 0.00 WT2 O ATOM 29423 H1 TIP3 2565 42.628 36.915 1.387 1.00 0.00 WT2 H ATOM 29424 H2 TIP3 2565 42.771 37.510 0.003 1.00 0.00 WT2 H ATOM 29425 OH2 TIP3 2566 72.037 92.924 35.517 1.00 0.00 WT2 O ATOM 29426 H1 TIP3 2566 72.649 93.593 35.209 1.00 0.00 WT2 H ATOM 29427 H2 TIP3 2566 72.537 92.419 36.158 1.00 0.00 WT2 H ATOM 29428 OH2 TIP3 2567 52.512 80.432 50.611 1.00 0.00 WT2 O ATOM 29429 H1 TIP3 2567 52.552 79.481 50.719 1.00 0.00 WT2 H ATOM 29430 H2 TIP3 2567 52.766 80.581 49.700 1.00 0.00 WT2 H ATOM 29431 OH2 TIP3 2570 41.965 42.082 30.208 1.00 0.00 WT2 O ATOM 29432 H1 TIP3 2570 42.248 41.435 29.561 1.00 0.00 WT2 H ATOM 29433 H2 TIP3 2570 42.111 42.926 29.782 1.00 0.00 WT2 H ATOM 29434 OH2 TIP3 2573 28.735 23.749 57.282 1.00 0.00 WT2 O ATOM 29435 H1 TIP3 2573 29.116 23.993 58.126 1.00 0.00 WT2 H ATOM 29436 H2 TIP3 2573 29.019 24.439 56.682 1.00 0.00 WT2 H ATOM 29437 OH2 TIP3 2580 32.092 57.973 45.270 1.00 0.00 WT2 O ATOM 29438 H1 TIP3 2580 32.583 57.186 45.507 1.00 0.00 WT2 H ATOM 29439 H2 TIP3 2580 31.814 58.344 46.108 1.00 0.00 WT2 H ATOM 29440 OH2 TIP3 2582 79.321 15.683 52.778 1.00 0.00 WT2 O ATOM 29441 H1 TIP3 2582 78.519 15.163 52.733 1.00 0.00 WT2 H ATOM 29442 H2 TIP3 2582 79.572 15.817 51.864 1.00 0.00 WT2 H ATOM 29443 OH2 TIP3 2584 31.842 93.481 51.500 1.00 0.00 WT2 O ATOM 29444 H1 TIP3 2584 32.008 92.647 51.061 1.00 0.00 WT2 H ATOM 29445 H2 TIP3 2584 30.975 93.747 51.191 1.00 0.00 WT2 H ATOM 29446 OH2 TIP3 2588 73.916 63.387 44.702 1.00 0.00 WT2 O ATOM 29447 H1 TIP3 2588 73.566 63.368 43.812 1.00 0.00 WT2 H ATOM 29448 H2 TIP3 2588 73.772 62.502 45.036 1.00 0.00 WT2 H ATOM 29449 OH2 TIP3 2589 83.383 53.968 -15.496 1.00 0.00 WT2 O ATOM 29450 H1 TIP3 2589 82.629 54.132 -14.929 1.00 0.00 WT2 H ATOM 29451 H2 TIP3 2589 83.009 53.870 -16.371 1.00 0.00 WT2 H ATOM 29452 OH2 TIP3 2606 46.811 80.368 25.142 1.00 0.00 WT2 O ATOM 29453 H1 TIP3 2606 46.814 79.417 25.031 1.00 0.00 WT2 H ATOM 29454 H2 TIP3 2606 46.330 80.513 25.957 1.00 0.00 WT2 H ATOM 29455 OH2 TIP3 2607 50.692 83.606 10.021 1.00 0.00 WT2 O ATOM 29456 H1 TIP3 2607 50.570 83.966 10.900 1.00 0.00 WT2 H ATOM 29457 H2 TIP3 2607 50.955 82.697 10.169 1.00 0.00 WT2 H ATOM 29458 OH2 TIP3 2608 54.354 77.110 5.776 1.00 0.00 WT2 O ATOM 29459 H1 TIP3 2608 55.175 76.866 6.204 1.00 0.00 WT2 H ATOM 29460 H2 TIP3 2608 53.813 76.322 5.826 1.00 0.00 WT2 H ATOM 29461 OH2 TIP3 2610 88.081 8.857 60.942 1.00 0.00 WT2 O ATOM 29462 H1 TIP3 2610 88.435 9.745 60.915 1.00 0.00 WT2 H ATOM 29463 H2 TIP3 2610 88.178 8.531 60.047 1.00 0.00 WT2 H ATOM 29464 OH2 TIP3 2628 77.957 90.728 -11.998 1.00 0.00 WT2 O ATOM 29465 H1 TIP3 2628 78.842 91.051 -11.827 1.00 0.00 WT2 H ATOM 29466 H2 TIP3 2628 77.925 90.606 -12.947 1.00 0.00 WT2 H ATOM 29467 OH2 TIP3 2631 29.143 32.254 32.868 1.00 0.00 WT2 O ATOM 29468 H1 TIP3 2631 28.420 32.861 32.710 1.00 0.00 WT2 H ATOM 29469 H2 TIP3 2631 28.848 31.717 33.604 1.00 0.00 WT2 H ATOM 29470 OH2 TIP3 2632 82.458 22.064 5.063 1.00 0.00 WT2 O ATOM 29471 H1 TIP3 2632 83.097 22.378 5.702 1.00 0.00 WT2 H ATOM 29472 H2 TIP3 2632 82.102 22.860 4.668 1.00 0.00 WT2 H ATOM 29473 OH2 TIP3 2634 23.600 36.407 54.635 1.00 0.00 WT2 O ATOM 29474 H1 TIP3 2634 22.888 36.914 54.245 1.00 0.00 WT2 H ATOM 29475 H2 TIP3 2634 24.313 36.467 53.999 1.00 0.00 WT2 H ATOM 29476 OH2 TIP3 2635 37.229 12.008 14.379 1.00 0.00 WT2 O ATOM 29477 H1 TIP3 2635 36.978 12.931 14.415 1.00 0.00 WT2 H ATOM 29478 H2 TIP3 2635 36.412 11.545 14.195 1.00 0.00 WT2 H ATOM 29479 OH2 TIP3 2643 48.056 93.090 -13.507 1.00 0.00 WT2 O ATOM 29480 H1 TIP3 2643 47.224 92.896 -13.075 1.00 0.00 WT2 H ATOM 29481 H2 TIP3 2643 48.269 92.291 -13.988 1.00 0.00 WT2 H ATOM 29482 OH2 TIP3 2648 35.970 62.396 33.261 1.00 0.00 WT2 O ATOM 29483 H1 TIP3 2648 36.512 62.969 32.719 1.00 0.00 WT2 H ATOM 29484 H2 TIP3 2648 36.367 62.442 34.131 1.00 0.00 WT2 H ATOM 29485 OH2 TIP3 2649 43.913 7.702 -3.630 1.00 0.00 WT2 O ATOM 29486 H1 TIP3 2649 44.506 8.178 -3.048 1.00 0.00 WT2 H ATOM 29487 H2 TIP3 2649 43.169 7.468 -3.075 1.00 0.00 WT2 H ATOM 29488 OH2 TIP3 2650 68.243 6.484 -13.013 1.00 0.00 WT2 O ATOM 29489 H1 TIP3 2650 68.724 6.653 -13.823 1.00 0.00 WT2 H ATOM 29490 H2 TIP3 2650 67.824 5.635 -13.155 1.00 0.00 WT2 H ATOM 29491 OH2 TIP3 2651 44.421 95.793 34.879 1.00 0.00 WT2 O ATOM 29492 H1 TIP3 2651 44.906 96.561 35.180 1.00 0.00 WT2 H ATOM 29493 H2 TIP3 2651 45.020 95.352 34.277 1.00 0.00 WT2 H ATOM 29494 OH2 TIP3 2653 86.345 60.348 54.899 1.00 0.00 WT2 O ATOM 29495 H1 TIP3 2653 86.287 59.978 55.780 1.00 0.00 WT2 H ATOM 29496 H2 TIP3 2653 86.020 59.654 54.325 1.00 0.00 WT2 H ATOM 29497 OH2 TIP3 2654 48.428 25.879 62.388 1.00 0.00 WT2 O ATOM 29498 H1 TIP3 2654 49.237 26.367 62.237 1.00 0.00 WT2 H ATOM 29499 H2 TIP3 2654 47.847 26.152 61.677 1.00 0.00 WT2 H ATOM 29500 OH2 TIP3 2655 69.526 41.201 14.369 1.00 0.00 WT2 O ATOM 29501 H1 TIP3 2655 68.650 41.286 13.990 1.00 0.00 WT2 H ATOM 29502 H2 TIP3 2655 69.653 42.012 14.862 1.00 0.00 WT2 H ATOM 29503 OH2 TIP3 2667 20.638 95.131 -7.024 1.00 0.00 WT2 O ATOM 29504 H1 TIP3 2667 21.272 94.817 -6.379 1.00 0.00 WT2 H ATOM 29505 H2 TIP3 2667 19.933 95.512 -6.500 1.00 0.00 WT2 H ATOM 29506 OH2 TIP3 2668 29.079 55.036 10.542 1.00 0.00 WT2 O ATOM 29507 H1 TIP3 2668 29.657 55.286 9.821 1.00 0.00 WT2 H ATOM 29508 H2 TIP3 2668 28.392 55.702 10.541 1.00 0.00 WT2 H ATOM 29509 OH2 TIP3 2669 58.619 31.430 -7.924 1.00 0.00 WT2 O ATOM 29510 H1 TIP3 2669 57.772 31.697 -8.281 1.00 0.00 WT2 H ATOM 29511 H2 TIP3 2669 58.511 31.500 -6.975 1.00 0.00 WT2 H ATOM 29512 OH2 TIP3 2670 88.903 85.584 67.213 1.00 0.00 WT2 O ATOM 29513 H1 TIP3 2670 89.213 85.701 66.315 1.00 0.00 WT2 H ATOM 29514 H2 TIP3 2670 88.308 84.835 67.167 1.00 0.00 WT2 H ATOM 29515 OH2 TIP3 2672 29.110 79.595 -8.886 1.00 0.00 WT2 O ATOM 29516 H1 TIP3 2672 28.759 79.914 -8.054 1.00 0.00 WT2 H ATOM 29517 H2 TIP3 2672 29.012 80.334 -9.486 1.00 0.00 WT2 H ATOM 29518 OH2 TIP3 2673 49.238 81.259 55.873 1.00 0.00 WT2 O ATOM 29519 H1 TIP3 2673 49.192 81.015 54.949 1.00 0.00 WT2 H ATOM 29520 H2 TIP3 2673 48.392 80.993 56.234 1.00 0.00 WT2 H ATOM 29521 OH2 TIP3 2674 37.192 64.430 45.423 1.00 0.00 WT2 O ATOM 29522 H1 TIP3 2674 37.592 65.113 44.885 1.00 0.00 WT2 H ATOM 29523 H2 TIP3 2674 37.847 63.733 45.453 1.00 0.00 WT2 H ATOM 29524 OH2 TIP3 2676 21.560 92.742 36.422 1.00 0.00 WT2 O ATOM 29525 H1 TIP3 2676 22.482 92.537 36.266 1.00 0.00 WT2 H ATOM 29526 H2 TIP3 2676 21.234 92.004 36.937 1.00 0.00 WT2 H ATOM 29527 OH2 TIP3 2689 51.383 4.490 3.862 1.00 0.00 WT2 O ATOM 29528 H1 TIP3 2689 51.733 4.906 3.074 1.00 0.00 WT2 H ATOM 29529 H2 TIP3 2689 50.811 5.153 4.250 1.00 0.00 WT2 H ATOM 29530 OH2 TIP3 2690 66.792 73.867 -2.178 1.00 0.00 WT2 O ATOM 29531 H1 TIP3 2690 65.931 73.474 -2.322 1.00 0.00 WT2 H ATOM 29532 H2 TIP3 2690 67.409 73.240 -2.557 1.00 0.00 WT2 H ATOM 29533 OH2 TIP3 2691 36.245 85.575 13.066 1.00 0.00 WT2 O ATOM 29534 H1 TIP3 2691 37.108 85.607 12.654 1.00 0.00 WT2 H ATOM 29535 H2 TIP3 2691 35.638 85.424 12.341 1.00 0.00 WT2 H ATOM 29536 OH2 TIP3 2692 63.141 82.768 38.047 1.00 0.00 WT2 O ATOM 29537 H1 TIP3 2692 63.250 82.148 37.326 1.00 0.00 WT2 H ATOM 29538 H2 TIP3 2692 63.982 82.755 38.503 1.00 0.00 WT2 H ATOM 29539 OH2 TIP3 2694 43.364 81.239 53.915 1.00 0.00 WT2 O ATOM 29540 H1 TIP3 2694 43.602 80.398 54.306 1.00 0.00 WT2 H ATOM 29541 H2 TIP3 2694 43.147 81.028 53.006 1.00 0.00 WT2 H ATOM 29542 OH2 TIP3 2695 49.842 23.819 60.886 1.00 0.00 WT2 O ATOM 29543 H1 TIP3 2695 49.210 23.697 61.594 1.00 0.00 WT2 H ATOM 29544 H2 TIP3 2695 49.314 24.098 60.138 1.00 0.00 WT2 H ATOM 29545 OH2 TIP3 2697 59.985 86.682 -11.080 1.00 0.00 WT2 O ATOM 29546 H1 TIP3 2697 60.438 86.999 -10.299 1.00 0.00 WT2 H ATOM 29547 H2 TIP3 2697 60.261 87.278 -11.777 1.00 0.00 WT2 H ATOM 29548 OH2 TIP3 2701 74.427 29.217 -3.928 1.00 0.00 WT2 O ATOM 29549 H1 TIP3 2701 74.627 29.147 -2.995 1.00 0.00 WT2 H ATOM 29550 H2 TIP3 2701 73.551 29.602 -3.958 1.00 0.00 WT2 H ATOM 29551 OH2 TIP3 2709 57.388 3.398 28.661 1.00 0.00 WT2 O ATOM 29552 H1 TIP3 2709 57.275 4.291 28.988 1.00 0.00 WT2 H ATOM 29553 H2 TIP3 2709 57.564 2.876 29.444 1.00 0.00 WT2 H ATOM 29554 OH2 TIP3 2710 39.445 41.921 31.868 1.00 0.00 WT2 O ATOM 29555 H1 TIP3 2710 38.818 42.581 31.572 1.00 0.00 WT2 H ATOM 29556 H2 TIP3 2710 40.291 42.234 31.548 1.00 0.00 WT2 H ATOM 29557 OH2 TIP3 2712 29.071 49.551 34.397 1.00 0.00 WT2 O ATOM 29558 H1 TIP3 2712 29.386 48.712 34.061 1.00 0.00 WT2 H ATOM 29559 H2 TIP3 2712 28.591 49.938 33.664 1.00 0.00 WT2 H ATOM 29560 OH2 TIP3 2713 69.454 22.905 46.865 1.00 0.00 WT2 O ATOM 29561 H1 TIP3 2713 70.259 22.443 47.096 1.00 0.00 WT2 H ATOM 29562 H2 TIP3 2713 68.763 22.427 47.323 1.00 0.00 WT2 H ATOM 29563 OH2 TIP3 2714 69.249 86.540 -18.603 1.00 0.00 WT2 O ATOM 29564 H1 TIP3 2714 68.824 86.911 -19.377 1.00 0.00 WT2 H ATOM 29565 H2 TIP3 2714 69.791 87.252 -18.262 1.00 0.00 WT2 H ATOM 29566 OH2 TIP3 2715 44.210 39.583 2.104 1.00 0.00 WT2 O ATOM 29567 H1 TIP3 2715 44.732 38.919 2.554 1.00 0.00 WT2 H ATOM 29568 H2 TIP3 2715 44.028 40.241 2.775 1.00 0.00 WT2 H ATOM 29569 OH2 TIP3 2717 76.267 11.356 -5.596 1.00 0.00 WT2 O ATOM 29570 H1 TIP3 2717 77.133 11.017 -5.822 1.00 0.00 WT2 H ATOM 29571 H2 TIP3 2717 76.086 12.017 -6.265 1.00 0.00 WT2 H ATOM 29572 OH2 TIP3 2732 65.967 90.146 50.050 1.00 0.00 WT2 O ATOM 29573 H1 TIP3 2732 65.028 89.959 50.050 1.00 0.00 WT2 H ATOM 29574 H2 TIP3 2732 66.028 91.067 49.795 1.00 0.00 WT2 H ATOM 29575 OH2 TIP3 2734 21.967 84.245 61.853 1.00 0.00 WT2 O ATOM 29576 H1 TIP3 2734 22.099 84.066 62.784 1.00 0.00 WT2 H ATOM 29577 H2 TIP3 2734 22.773 83.944 61.433 1.00 0.00 WT2 H ATOM 29578 OH2 TIP3 2735 48.838 33.718 -14.015 1.00 0.00 WT2 O ATOM 29579 H1 TIP3 2735 47.933 33.701 -13.705 1.00 0.00 WT2 H ATOM 29580 H2 TIP3 2735 49.365 33.760 -13.216 1.00 0.00 WT2 H ATOM 29581 OH2 TIP3 2736 87.857 27.050 40.387 1.00 0.00 WT2 O ATOM 29582 H1 TIP3 2736 88.715 27.117 40.807 1.00 0.00 WT2 H ATOM 29583 H2 TIP3 2736 87.318 27.699 40.838 1.00 0.00 WT2 H ATOM 29584 OH2 TIP3 2753 40.690 60.721 -11.952 1.00 0.00 WT2 O ATOM 29585 H1 TIP3 2753 41.479 61.247 -12.083 1.00 0.00 WT2 H ATOM 29586 H2 TIP3 2753 40.401 60.940 -11.066 1.00 0.00 WT2 H ATOM 29587 OH2 TIP3 2754 31.056 38.261 24.187 1.00 0.00 WT2 O ATOM 29588 H1 TIP3 2754 31.703 37.796 23.657 1.00 0.00 WT2 H ATOM 29589 H2 TIP3 2754 31.539 38.995 24.566 1.00 0.00 WT2 H ATOM 29590 OH2 TIP3 2755 75.950 20.082 35.424 1.00 0.00 WT2 O ATOM 29591 H1 TIP3 2755 76.716 19.601 35.736 1.00 0.00 WT2 H ATOM 29592 H2 TIP3 2755 75.246 19.434 35.414 1.00 0.00 WT2 H ATOM 29593 OH2 TIP3 2757 47.603 94.732 4.321 1.00 0.00 WT2 O ATOM 29594 H1 TIP3 2757 47.945 95.575 4.024 1.00 0.00 WT2 H ATOM 29595 H2 TIP3 2757 46.676 94.897 4.497 1.00 0.00 WT2 H ATOM 29596 OH2 TIP3 2758 84.622 76.876 11.496 1.00 0.00 WT2 O ATOM 29597 H1 TIP3 2758 84.102 76.731 10.705 1.00 0.00 WT2 H ATOM 29598 H2 TIP3 2758 85.007 77.743 11.373 1.00 0.00 WT2 H ATOM 29599 OH2 TIP3 2771 37.438 57.988 -14.991 1.00 0.00 WT2 O ATOM 29600 H1 TIP3 2771 38.295 57.715 -14.665 1.00 0.00 WT2 H ATOM 29601 H2 TIP3 2771 37.584 58.182 -15.917 1.00 0.00 WT2 H ATOM 29602 OH2 TIP3 2773 85.007 42.429 28.910 1.00 0.00 WT2 O ATOM 29603 H1 TIP3 2773 84.515 42.685 28.130 1.00 0.00 WT2 H ATOM 29604 H2 TIP3 2773 85.919 42.401 28.620 1.00 0.00 WT2 H ATOM 29605 OH2 TIP3 2774 22.375 25.659 6.447 1.00 0.00 WT2 O ATOM 29606 H1 TIP3 2774 22.549 26.079 7.289 1.00 0.00 WT2 H ATOM 29607 H2 TIP3 2774 22.981 24.919 6.417 1.00 0.00 WT2 H ATOM 29608 OH2 TIP3 2775 85.488 83.788 16.584 1.00 0.00 WT2 O ATOM 29609 H1 TIP3 2775 86.012 83.542 15.822 1.00 0.00 WT2 H ATOM 29610 H2 TIP3 2775 85.357 82.967 17.059 1.00 0.00 WT2 H ATOM 29611 OH2 TIP3 2776 64.725 10.616 19.257 1.00 0.00 WT2 O ATOM 29612 H1 TIP3 2776 64.186 10.625 20.048 1.00 0.00 WT2 H ATOM 29613 H2 TIP3 2776 65.621 10.514 19.578 1.00 0.00 WT2 H ATOM 29614 OH2 TIP3 2777 39.128 9.074 -14.677 1.00 0.00 WT2 O ATOM 29615 H1 TIP3 2777 38.715 8.923 -15.527 1.00 0.00 WT2 H ATOM 29616 H2 TIP3 2777 38.730 9.884 -14.358 1.00 0.00 WT2 H ATOM 29617 OH2 TIP3 2778 80.702 45.434 -18.376 1.00 0.00 WT2 O ATOM 29618 H1 TIP3 2778 79.839 45.409 -17.964 1.00 0.00 WT2 H ATOM 29619 H2 TIP3 2778 80.561 45.899 -19.201 1.00 0.00 WT2 H ATOM 29620 OH2 TIP3 2781 76.815 4.550 45.660 1.00 0.00 WT2 O ATOM 29621 H1 TIP3 2781 76.508 3.720 46.026 1.00 0.00 WT2 H ATOM 29622 H2 TIP3 2781 77.245 4.990 46.393 1.00 0.00 WT2 H ATOM 29623 OH2 TIP3 2793 60.546 67.718 65.549 1.00 0.00 WT2 O ATOM 29624 H1 TIP3 2793 60.711 67.500 66.466 1.00 0.00 WT2 H ATOM 29625 H2 TIP3 2793 60.680 68.665 65.499 1.00 0.00 WT2 H ATOM 29626 OH2 TIP3 2794 41.211 43.925 1.623 1.00 0.00 WT2 O ATOM 29627 H1 TIP3 2794 40.927 43.570 0.781 1.00 0.00 WT2 H ATOM 29628 H2 TIP3 2794 41.164 43.182 2.225 1.00 0.00 WT2 H ATOM 29629 OH2 TIP3 2795 21.976 13.141 50.437 1.00 0.00 WT2 O ATOM 29630 H1 TIP3 2795 22.733 13.283 49.869 1.00 0.00 WT2 H ATOM 29631 H2 TIP3 2795 21.504 13.974 50.422 1.00 0.00 WT2 H ATOM 29632 OH2 TIP3 2796 65.842 16.614 46.810 1.00 0.00 WT2 O ATOM 29633 H1 TIP3 2796 65.327 16.135 46.161 1.00 0.00 WT2 H ATOM 29634 H2 TIP3 2796 65.386 17.450 46.907 1.00 0.00 WT2 H ATOM 29635 OH2 TIP3 2797 27.767 34.924 5.637 1.00 0.00 WT2 O ATOM 29636 H1 TIP3 2797 28.353 35.222 4.942 1.00 0.00 WT2 H ATOM 29637 H2 TIP3 2797 27.888 35.560 6.343 1.00 0.00 WT2 H ATOM 29638 OH2 TIP3 2798 27.998 77.026 43.600 1.00 0.00 WT2 O ATOM 29639 H1 TIP3 2798 27.551 77.768 43.193 1.00 0.00 WT2 H ATOM 29640 H2 TIP3 2798 28.922 77.274 43.602 1.00 0.00 WT2 H ATOM 29641 OH2 TIP3 2802 61.184 16.309 24.810 1.00 0.00 WT2 O ATOM 29642 H1 TIP3 2802 61.186 17.253 24.967 1.00 0.00 WT2 H ATOM 29643 H2 TIP3 2802 61.410 16.219 23.884 1.00 0.00 WT2 H ATOM 29644 OH2 TIP3 2814 67.857 4.048 -6.679 1.00 0.00 WT2 O ATOM 29645 H1 TIP3 2814 67.075 4.467 -6.320 1.00 0.00 WT2 H ATOM 29646 H2 TIP3 2814 68.519 4.739 -6.685 1.00 0.00 WT2 H ATOM 29647 OH2 TIP3 2815 54.189 74.835 57.845 1.00 0.00 WT2 O ATOM 29648 H1 TIP3 2815 54.254 75.042 58.778 1.00 0.00 WT2 H ATOM 29649 H2 TIP3 2815 54.261 75.682 57.406 1.00 0.00 WT2 H ATOM 29650 OH2 TIP3 2817 29.381 92.407 -0.969 1.00 0.00 WT2 O ATOM 29651 H1 TIP3 2817 28.684 91.757 -1.059 1.00 0.00 WT2 H ATOM 29652 H2 TIP3 2817 29.563 92.691 -1.864 1.00 0.00 WT2 H ATOM 29653 OH2 TIP3 2818 35.272 89.163 35.873 1.00 0.00 WT2 O ATOM 29654 H1 TIP3 2818 35.086 88.295 35.516 1.00 0.00 WT2 H ATOM 29655 H2 TIP3 2818 35.232 89.046 36.822 1.00 0.00 WT2 H ATOM 29656 OH2 TIP3 2819 61.809 48.055 37.481 1.00 0.00 WT2 O ATOM 29657 H1 TIP3 2819 61.560 48.570 36.713 1.00 0.00 WT2 H ATOM 29658 H2 TIP3 2819 62.445 48.602 37.941 1.00 0.00 WT2 H ATOM 29659 OH2 TIP3 2820 22.939 48.558 -1.674 1.00 0.00 WT2 O ATOM 29660 H1 TIP3 2820 22.194 47.975 -1.818 1.00 0.00 WT2 H ATOM 29661 H2 TIP3 2820 22.833 48.865 -0.773 1.00 0.00 WT2 H ATOM 29662 OH2 TIP3 2821 52.522 11.490 -0.388 1.00 0.00 WT2 O ATOM 29663 H1 TIP3 2821 53.245 11.831 0.139 1.00 0.00 WT2 H ATOM 29664 H2 TIP3 2821 51.778 12.050 -0.165 1.00 0.00 WT2 H ATOM 29665 OH2 TIP3 2822 26.123 51.266 18.703 1.00 0.00 WT2 O ATOM 29666 H1 TIP3 2822 26.514 51.914 18.116 1.00 0.00 WT2 H ATOM 29667 H2 TIP3 2822 26.778 50.570 18.763 1.00 0.00 WT2 H ATOM 29668 OH2 TIP3 2823 64.716 61.958 52.795 1.00 0.00 WT2 O ATOM 29669 H1 TIP3 2823 64.008 61.418 52.442 1.00 0.00 WT2 H ATOM 29670 H2 TIP3 2823 64.414 62.207 53.668 1.00 0.00 WT2 H ATOM 29671 OH2 TIP3 2832 21.190 20.572 -16.409 1.00 0.00 WT2 O ATOM 29672 H1 TIP3 2832 21.475 21.483 -16.481 1.00 0.00 WT2 H ATOM 29673 H2 TIP3 2832 20.245 20.604 -16.558 1.00 0.00 WT2 H ATOM 29674 OH2 TIP3 2838 20.520 59.097 45.731 1.00 0.00 WT2 O ATOM 29675 H1 TIP3 2838 21.410 59.425 45.856 1.00 0.00 WT2 H ATOM 29676 H2 TIP3 2838 20.001 59.877 45.536 1.00 0.00 WT2 H ATOM 29677 OH2 TIP3 2839 77.184 87.953 -10.950 1.00 0.00 WT2 O ATOM 29678 H1 TIP3 2839 78.014 87.569 -10.668 1.00 0.00 WT2 H ATOM 29679 H2 TIP3 2839 77.435 88.742 -11.431 1.00 0.00 WT2 H ATOM 29680 OH2 TIP3 2840 25.039 10.167 0.432 1.00 0.00 WT2 O ATOM 29681 H1 TIP3 2840 24.818 10.656 1.225 1.00 0.00 WT2 H ATOM 29682 H2 TIP3 2840 25.717 9.551 0.712 1.00 0.00 WT2 H ATOM 29683 OH2 TIP3 2841 58.841 22.335 -13.059 1.00 0.00 WT2 O ATOM 29684 H1 TIP3 2841 58.002 22.582 -13.448 1.00 0.00 WT2 H ATOM 29685 H2 TIP3 2841 59.492 22.581 -13.716 1.00 0.00 WT2 H ATOM 29686 OH2 TIP3 2842 42.791 84.785 63.268 1.00 0.00 WT2 O ATOM 29687 H1 TIP3 2842 43.394 85.013 62.561 1.00 0.00 WT2 H ATOM 29688 H2 TIP3 2842 42.121 85.468 63.242 1.00 0.00 WT2 H ATOM 29689 OH2 TIP3 2843 37.129 24.507 41.261 1.00 0.00 WT2 O ATOM 29690 H1 TIP3 2843 37.264 23.572 41.412 1.00 0.00 WT2 H ATOM 29691 H2 TIP3 2843 37.863 24.931 41.706 1.00 0.00 WT2 H ATOM 29692 OH2 TIP3 2857 63.802 93.314 56.546 1.00 0.00 WT2 O ATOM 29693 H1 TIP3 2857 63.592 94.086 56.021 1.00 0.00 WT2 H ATOM 29694 H2 TIP3 2857 64.206 92.705 55.928 1.00 0.00 WT2 H ATOM 29695 OH2 TIP3 2859 27.542 85.042 61.012 1.00 0.00 WT2 O ATOM 29696 H1 TIP3 2859 28.071 85.230 60.237 1.00 0.00 WT2 H ATOM 29697 H2 TIP3 2859 28.009 84.334 61.455 1.00 0.00 WT2 H ATOM 29698 OH2 TIP3 2862 54.678 19.004 37.290 1.00 0.00 WT2 O ATOM 29699 H1 TIP3 2862 54.027 18.576 36.733 1.00 0.00 WT2 H ATOM 29700 H2 TIP3 2862 54.957 19.770 36.788 1.00 0.00 WT2 H ATOM 29701 OH2 TIP3 2863 70.358 24.070 63.381 1.00 0.00 WT2 O ATOM 29702 H1 TIP3 2863 70.826 24.850 63.083 1.00 0.00 WT2 H ATOM 29703 H2 TIP3 2863 69.763 24.391 64.058 1.00 0.00 WT2 H ATOM 29704 OH2 TIP3 2877 49.284 7.669 62.122 1.00 0.00 WT2 O ATOM 29705 H1 TIP3 2877 49.772 8.471 62.309 1.00 0.00 WT2 H ATOM 29706 H2 TIP3 2877 49.244 7.211 62.962 1.00 0.00 WT2 H ATOM 29707 OH2 TIP3 2878 20.717 91.236 52.831 1.00 0.00 WT2 O ATOM 29708 H1 TIP3 2878 21.002 91.984 52.306 1.00 0.00 WT2 H ATOM 29709 H2 TIP3 2878 19.940 91.550 53.292 1.00 0.00 WT2 H ATOM 29710 OH2 TIP3 2880 60.702 24.819 1.882 1.00 0.00 WT2 O ATOM 29711 H1 TIP3 2880 60.277 24.310 2.573 1.00 0.00 WT2 H ATOM 29712 H2 TIP3 2880 60.273 25.674 1.917 1.00 0.00 WT2 H ATOM 29713 OH2 TIP3 2882 30.228 66.493 51.090 1.00 0.00 WT2 O ATOM 29714 H1 TIP3 2882 30.366 67.434 50.984 1.00 0.00 WT2 H ATOM 29715 H2 TIP3 2882 30.728 66.095 50.378 1.00 0.00 WT2 H ATOM 29716 OH2 TIP3 2883 31.658 48.360 40.588 1.00 0.00 WT2 O ATOM 29717 H1 TIP3 2883 32.023 47.481 40.693 1.00 0.00 WT2 H ATOM 29718 H2 TIP3 2883 32.330 48.942 40.941 1.00 0.00 WT2 H ATOM 29719 OH2 TIP3 2884 23.160 65.002 47.502 1.00 0.00 WT2 O ATOM 29720 H1 TIP3 2884 23.847 65.309 48.093 1.00 0.00 WT2 H ATOM 29721 H2 TIP3 2884 22.752 64.271 47.966 1.00 0.00 WT2 H ATOM 29722 OH2 TIP3 2899 83.684 4.390 -17.005 1.00 0.00 WT2 O ATOM 29723 H1 TIP3 2899 84.107 4.450 -17.862 1.00 0.00 WT2 H ATOM 29724 H2 TIP3 2899 83.853 3.493 -16.717 1.00 0.00 WT2 H ATOM 29725 OH2 TIP3 2900 38.651 27.347 50.747 1.00 0.00 WT2 O ATOM 29726 H1 TIP3 2900 37.922 27.180 50.149 1.00 0.00 WT2 H ATOM 29727 H2 TIP3 2900 39.072 28.133 50.399 1.00 0.00 WT2 H ATOM 29728 OH2 TIP3 2901 41.066 52.551 -3.878 1.00 0.00 WT2 O ATOM 29729 H1 TIP3 2901 41.065 51.810 -4.484 1.00 0.00 WT2 H ATOM 29730 H2 TIP3 2901 41.993 52.759 -3.755 1.00 0.00 WT2 H ATOM 29731 OH2 TIP3 2902 78.603 31.374 29.212 1.00 0.00 WT2 O ATOM 29732 H1 TIP3 2902 78.634 31.846 28.380 1.00 0.00 WT2 H ATOM 29733 H2 TIP3 2902 78.099 31.944 29.792 1.00 0.00 WT2 H ATOM 29734 OH2 TIP3 2903 65.142 22.616 5.893 1.00 0.00 WT2 O ATOM 29735 H1 TIP3 2903 64.303 22.819 5.479 1.00 0.00 WT2 H ATOM 29736 H2 TIP3 2903 64.996 22.778 6.824 1.00 0.00 WT2 H ATOM 29737 OH2 TIP3 2904 56.509 11.729 -19.084 1.00 0.00 WT2 O ATOM 29738 H1 TIP3 2904 55.907 12.473 -19.055 1.00 0.00 WT2 H ATOM 29739 H2 TIP3 2904 55.948 10.972 -19.255 1.00 0.00 WT2 H ATOM 29740 OH2 TIP3 2905 82.078 61.938 18.783 1.00 0.00 WT2 O ATOM 29741 H1 TIP3 2905 81.248 62.382 18.956 1.00 0.00 WT2 H ATOM 29742 H2 TIP3 2905 82.291 61.497 19.606 1.00 0.00 WT2 H ATOM 29743 OH2 TIP3 2908 55.816 12.233 -8.051 1.00 0.00 WT2 O ATOM 29744 H1 TIP3 2908 55.340 11.540 -8.509 1.00 0.00 WT2 H ATOM 29745 H2 TIP3 2908 56.494 11.772 -7.558 1.00 0.00 WT2 H ATOM 29746 OH2 TIP3 2918 31.073 15.943 39.348 1.00 0.00 WT2 O ATOM 29747 H1 TIP3 2918 31.897 16.371 39.116 1.00 0.00 WT2 H ATOM 29748 H2 TIP3 2918 31.284 15.418 40.119 1.00 0.00 WT2 H ATOM 29749 OH2 TIP3 2919 35.596 27.552 16.326 1.00 0.00 WT2 O ATOM 29750 H1 TIP3 2919 35.684 26.683 15.934 1.00 0.00 WT2 H ATOM 29751 H2 TIP3 2919 36.481 27.776 16.614 1.00 0.00 WT2 H ATOM 29752 OH2 TIP3 2920 63.869 58.781 53.621 1.00 0.00 WT2 O ATOM 29753 H1 TIP3 2920 64.074 57.849 53.545 1.00 0.00 WT2 H ATOM 29754 H2 TIP3 2920 63.386 58.987 52.821 1.00 0.00 WT2 H ATOM 29755 OH2 TIP3 2922 22.130 32.004 32.023 1.00 0.00 WT2 O ATOM 29756 H1 TIP3 2922 22.640 32.811 31.949 1.00 0.00 WT2 H ATOM 29757 H2 TIP3 2922 22.186 31.605 31.155 1.00 0.00 WT2 H ATOM 29758 OH2 TIP3 2923 31.835 69.732 -7.310 1.00 0.00 WT2 O ATOM 29759 H1 TIP3 2923 31.239 69.313 -7.931 1.00 0.00 WT2 H ATOM 29760 H2 TIP3 2923 32.709 69.475 -7.607 1.00 0.00 WT2 H ATOM 29761 OH2 TIP3 2925 60.531 14.960 53.358 1.00 0.00 WT2 O ATOM 29762 H1 TIP3 2925 60.978 15.339 52.601 1.00 0.00 WT2 H ATOM 29763 H2 TIP3 2925 60.887 15.435 54.109 1.00 0.00 WT2 H ATOM 29764 OH2 TIP3 2927 38.902 12.697 -1.500 1.00 0.00 WT2 O ATOM 29765 H1 TIP3 2927 38.496 13.553 -1.361 1.00 0.00 WT2 H ATOM 29766 H2 TIP3 2927 39.331 12.497 -0.669 1.00 0.00 WT2 H ATOM 29767 OH2 TIP3 2938 47.637 20.418 61.973 1.00 0.00 WT2 O ATOM 29768 H1 TIP3 2938 47.614 21.309 61.625 1.00 0.00 WT2 H ATOM 29769 H2 TIP3 2938 47.741 19.861 61.201 1.00 0.00 WT2 H ATOM 29770 OH2 TIP3 2941 52.868 14.095 64.558 1.00 0.00 WT2 O ATOM 29771 H1 TIP3 2941 52.895 13.275 65.051 1.00 0.00 WT2 H ATOM 29772 H2 TIP3 2941 52.605 14.754 65.201 1.00 0.00 WT2 H ATOM 29773 OH2 TIP3 2942 32.250 24.364 -7.819 1.00 0.00 WT2 O ATOM 29774 H1 TIP3 2942 32.146 25.000 -8.527 1.00 0.00 WT2 H ATOM 29775 H2 TIP3 2942 33.197 24.264 -7.724 1.00 0.00 WT2 H ATOM 29776 OH2 TIP3 2943 84.995 33.978 3.784 1.00 0.00 WT2 O ATOM 29777 H1 TIP3 2943 85.258 33.385 3.081 1.00 0.00 WT2 H ATOM 29778 H2 TIP3 2943 85.816 34.365 4.091 1.00 0.00 WT2 H ATOM 29779 OH2 TIP3 2944 68.220 21.037 57.226 1.00 0.00 WT2 O ATOM 29780 H1 TIP3 2944 69.150 20.841 57.338 1.00 0.00 WT2 H ATOM 29781 H2 TIP3 2944 68.033 21.699 57.892 1.00 0.00 WT2 H ATOM 29782 OH2 TIP3 2945 29.555 49.555 47.074 1.00 0.00 WT2 O ATOM 29783 H1 TIP3 2945 29.254 50.194 47.720 1.00 0.00 WT2 H ATOM 29784 H2 TIP3 2945 29.546 50.032 46.244 1.00 0.00 WT2 H ATOM 29785 OH2 TIP3 2946 78.516 12.968 4.477 1.00 0.00 WT2 O ATOM 29786 H1 TIP3 2946 77.970 12.260 4.820 1.00 0.00 WT2 H ATOM 29787 H2 TIP3 2946 78.735 13.495 5.245 1.00 0.00 WT2 H ATOM 29788 OH2 TIP3 2960 35.696 66.549 40.808 1.00 0.00 WT2 O ATOM 29789 H1 TIP3 2960 35.494 67.430 40.490 1.00 0.00 WT2 H ATOM 29790 H2 TIP3 2960 36.427 66.259 40.262 1.00 0.00 WT2 H ATOM 29791 OH2 TIP3 2961 55.343 22.499 -9.044 1.00 0.00 WT2 O ATOM 29792 H1 TIP3 2961 54.920 23.341 -8.877 1.00 0.00 WT2 H ATOM 29793 H2 TIP3 2961 55.259 22.020 -8.219 1.00 0.00 WT2 H ATOM 29794 OH2 TIP3 2963 46.630 22.949 61.022 1.00 0.00 WT2 O ATOM 29795 H1 TIP3 2963 45.720 22.746 61.236 1.00 0.00 WT2 H ATOM 29796 H2 TIP3 2963 46.681 23.904 61.069 1.00 0.00 WT2 H ATOM 29797 OH2 TIP3 2964 37.723 74.446 -13.704 1.00 0.00 WT2 O ATOM 29798 H1 TIP3 2964 37.227 75.104 -13.216 1.00 0.00 WT2 H ATOM 29799 H2 TIP3 2964 37.234 74.333 -14.519 1.00 0.00 WT2 H ATOM 29800 OH2 TIP3 2966 70.509 36.928 56.850 1.00 0.00 WT2 O ATOM 29801 H1 TIP3 2966 70.870 36.796 55.973 1.00 0.00 WT2 H ATOM 29802 H2 TIP3 2966 69.706 37.428 56.705 1.00 0.00 WT2 H ATOM 29803 OH2 TIP3 2967 77.491 50.196 -15.464 1.00 0.00 WT2 O ATOM 29804 H1 TIP3 2967 78.022 49.789 -14.779 1.00 0.00 WT2 H ATOM 29805 H2 TIP3 2967 76.723 49.631 -15.541 1.00 0.00 WT2 H ATOM 29806 OH2 TIP3 2969 49.002 41.371 45.670 1.00 0.00 WT2 O ATOM 29807 H1 TIP3 2969 49.582 41.132 44.947 1.00 0.00 WT2 H ATOM 29808 H2 TIP3 2969 49.590 41.513 46.412 1.00 0.00 WT2 H ATOM 29809 OH2 TIP3 2972 53.534 8.206 38.318 1.00 0.00 WT2 O ATOM 29810 H1 TIP3 2972 53.471 9.030 38.800 1.00 0.00 WT2 H ATOM 29811 H2 TIP3 2972 54.008 8.431 37.518 1.00 0.00 WT2 H ATOM 29812 OH2 TIP3 2979 46.889 60.733 52.984 1.00 0.00 WT2 O ATOM 29813 H1 TIP3 2979 47.486 61.089 52.326 1.00 0.00 WT2 H ATOM 29814 H2 TIP3 2979 46.019 60.998 52.688 1.00 0.00 WT2 H ATOM 29815 OH2 TIP3 2983 31.258 76.209 4.079 1.00 0.00 WT2 O ATOM 29816 H1 TIP3 2983 31.555 76.820 4.754 1.00 0.00 WT2 H ATOM 29817 H2 TIP3 2983 32.029 76.061 3.533 1.00 0.00 WT2 H ATOM 29818 OH2 TIP3 2984 71.312 3.529 27.372 1.00 0.00 WT2 O ATOM 29819 H1 TIP3 2984 70.545 2.995 27.165 1.00 0.00 WT2 H ATOM 29820 H2 TIP3 2984 72.059 2.978 27.139 1.00 0.00 WT2 H ATOM 29821 OH2 TIP3 2986 65.324 83.828 52.179 1.00 0.00 WT2 O ATOM 29822 H1 TIP3 2986 65.105 82.995 51.761 1.00 0.00 WT2 H ATOM 29823 H2 TIP3 2986 64.720 84.459 51.787 1.00 0.00 WT2 H ATOM 29824 OH2 TIP3 2989 59.227 94.937 -1.750 1.00 0.00 WT2 O ATOM 29825 H1 TIP3 2989 59.390 95.763 -1.294 1.00 0.00 WT2 H ATOM 29826 H2 TIP3 2989 58.385 94.636 -1.409 1.00 0.00 WT2 H ATOM 29827 OH2 TIP3 2990 26.549 2.473 43.261 1.00 0.00 WT2 O ATOM 29828 H1 TIP3 2990 25.730 2.428 43.755 1.00 0.00 WT2 H ATOM 29829 H2 TIP3 2990 27.069 3.134 43.718 1.00 0.00 WT2 H ATOM 29830 OH2 TIP3 2992 27.033 92.930 63.001 1.00 0.00 WT2 O ATOM 29831 H1 TIP3 2992 26.782 93.705 62.498 1.00 0.00 WT2 H ATOM 29832 H2 TIP3 2992 26.487 92.967 63.787 1.00 0.00 WT2 H ATOM 29833 OH2 TIP3 3002 42.953 7.960 47.429 1.00 0.00 WT2 O ATOM 29834 H1 TIP3 3002 42.589 7.075 47.457 1.00 0.00 WT2 H ATOM 29835 H2 TIP3 3002 42.187 8.534 47.415 1.00 0.00 WT2 H ATOM 29836 OH2 TIP3 3006 74.723 10.559 41.221 1.00 0.00 WT2 O ATOM 29837 H1 TIP3 3006 74.272 10.019 41.870 1.00 0.00 WT2 H ATOM 29838 H2 TIP3 3006 74.818 11.412 41.644 1.00 0.00 WT2 H ATOM 29839 OH2 TIP3 3009 36.171 54.523 -14.161 1.00 0.00 WT2 O ATOM 29840 H1 TIP3 3009 36.376 54.018 -13.375 1.00 0.00 WT2 H ATOM 29841 H2 TIP3 3009 37.020 54.676 -14.576 1.00 0.00 WT2 H ATOM 29842 OH2 TIP3 3010 77.349 11.810 52.052 1.00 0.00 WT2 O ATOM 29843 H1 TIP3 3010 77.252 11.814 51.099 1.00 0.00 WT2 H ATOM 29844 H2 TIP3 3010 77.418 12.735 52.290 1.00 0.00 WT2 H ATOM 29845 OH2 TIP3 3011 23.638 60.455 0.483 1.00 0.00 WT2 O ATOM 29846 H1 TIP3 3011 24.035 61.326 0.499 1.00 0.00 WT2 H ATOM 29847 H2 TIP3 3011 23.947 60.035 1.285 1.00 0.00 WT2 H ATOM 29848 OH2 TIP3 3012 82.097 1.575 -17.460 1.00 0.00 WT2 O ATOM 29849 H1 TIP3 3012 82.152 1.744 -18.400 1.00 0.00 WT2 H ATOM 29850 H2 TIP3 3012 82.962 1.805 -17.123 1.00 0.00 WT2 H ATOM 29851 OH2 TIP3 3013 65.842 9.656 0.288 1.00 0.00 WT2 O ATOM 29852 H1 TIP3 3013 66.664 9.703 0.775 1.00 0.00 WT2 H ATOM 29853 H2 TIP3 3013 65.191 10.033 0.880 1.00 0.00 WT2 H ATOM 29854 OH2 TIP3 3018 75.008 56.409 59.217 1.00 0.00 WT2 O ATOM 29855 H1 TIP3 3018 74.618 57.168 59.650 1.00 0.00 WT2 H ATOM 29856 H2 TIP3 3018 74.945 56.606 58.283 1.00 0.00 WT2 H ATOM 29857 OH2 TIP3 3027 87.595 13.430 44.639 1.00 0.00 WT2 O ATOM 29858 H1 TIP3 3027 87.890 13.622 45.530 1.00 0.00 WT2 H ATOM 29859 H2 TIP3 3027 86.882 12.802 44.753 1.00 0.00 WT2 H ATOM 29860 OH2 TIP3 3028 71.663 70.512 28.049 1.00 0.00 WT2 O ATOM 29861 H1 TIP3 3028 71.275 70.951 27.292 1.00 0.00 WT2 H ATOM 29862 H2 TIP3 3028 70.996 70.579 28.733 1.00 0.00 WT2 H ATOM 29863 OH2 TIP3 3029 44.019 27.215 40.231 1.00 0.00 WT2 O ATOM 29864 H1 TIP3 3029 44.306 27.238 41.144 1.00 0.00 WT2 H ATOM 29865 H2 TIP3 3029 43.358 27.904 40.170 1.00 0.00 WT2 H ATOM 29866 OH2 TIP3 3046 49.869 77.522 38.937 1.00 0.00 WT2 O ATOM 29867 H1 TIP3 3046 50.822 77.570 38.864 1.00 0.00 WT2 H ATOM 29868 H2 TIP3 3046 49.687 77.739 39.852 1.00 0.00 WT2 H ATOM 29869 OH2 TIP3 3048 81.769 14.047 49.402 1.00 0.00 WT2 O ATOM 29870 H1 TIP3 3048 81.892 13.325 50.019 1.00 0.00 WT2 H ATOM 29871 H2 TIP3 3048 81.677 14.823 49.955 1.00 0.00 WT2 H ATOM 29872 OH2 TIP3 3049 85.168 32.844 53.889 1.00 0.00 WT2 O ATOM 29873 H1 TIP3 3049 85.768 33.294 53.294 1.00 0.00 WT2 H ATOM 29874 H2 TIP3 3049 85.055 31.975 53.504 1.00 0.00 WT2 H ATOM 29875 OH2 TIP3 3050 63.396 60.615 58.583 1.00 0.00 WT2 O ATOM 29876 H1 TIP3 3050 62.456 60.498 58.449 1.00 0.00 WT2 H ATOM 29877 H2 TIP3 3050 63.740 60.814 57.712 1.00 0.00 WT2 H ATOM 29878 OH2 TIP3 3051 55.754 76.020 -7.537 1.00 0.00 WT2 O ATOM 29879 H1 TIP3 3051 55.013 76.026 -8.143 1.00 0.00 WT2 H ATOM 29880 H2 TIP3 3051 56.134 75.146 -7.631 1.00 0.00 WT2 H ATOM 29881 OH2 TIP3 3052 45.860 62.803 59.147 1.00 0.00 WT2 O ATOM 29882 H1 TIP3 3052 46.259 62.991 59.996 1.00 0.00 WT2 H ATOM 29883 H2 TIP3 3052 46.258 63.436 58.549 1.00 0.00 WT2 H ATOM 29884 OH2 TIP3 3067 79.628 83.096 47.330 1.00 0.00 WT2 O ATOM 29885 H1 TIP3 3067 78.835 83.557 47.604 1.00 0.00 WT2 H ATOM 29886 H2 TIP3 3067 80.056 83.696 46.720 1.00 0.00 WT2 H ATOM 29887 OH2 TIP3 3069 40.136 75.835 -0.673 1.00 0.00 WT2 O ATOM 29888 H1 TIP3 3069 39.951 74.919 -0.883 1.00 0.00 WT2 H ATOM 29889 H2 TIP3 3069 40.699 75.795 0.100 1.00 0.00 WT2 H ATOM 29890 OH2 TIP3 3070 60.866 17.674 6.193 1.00 0.00 WT2 O ATOM 29891 H1 TIP3 3070 61.111 17.456 7.092 1.00 0.00 WT2 H ATOM 29892 H2 TIP3 3070 61.459 18.384 5.949 1.00 0.00 WT2 H ATOM 29893 OH2 TIP3 3072 82.919 91.793 65.904 1.00 0.00 WT2 O ATOM 29894 H1 TIP3 3072 83.565 91.094 65.807 1.00 0.00 WT2 H ATOM 29895 H2 TIP3 3072 82.851 92.180 65.031 1.00 0.00 WT2 H ATOM 29896 OH2 TIP3 3073 82.786 46.670 66.659 1.00 0.00 WT2 O ATOM 29897 H1 TIP3 3073 82.051 46.235 66.226 1.00 0.00 WT2 H ATOM 29898 H2 TIP3 3073 82.760 46.345 67.559 1.00 0.00 WT2 H ATOM 29899 OH2 TIP3 3076 47.007 74.111 50.104 1.00 0.00 WT2 O ATOM 29900 H1 TIP3 3076 47.111 74.038 49.155 1.00 0.00 WT2 H ATOM 29901 H2 TIP3 3076 46.611 73.280 50.367 1.00 0.00 WT2 H ATOM 29902 OH2 TIP3 3085 85.517 85.808 43.906 1.00 0.00 WT2 O ATOM 29903 H1 TIP3 3085 85.624 85.778 42.955 1.00 0.00 WT2 H ATOM 29904 H2 TIP3 3085 84.591 86.014 44.037 1.00 0.00 WT2 H ATOM 29905 OH2 TIP3 3086 29.504 9.309 49.731 1.00 0.00 WT2 O ATOM 29906 H1 TIP3 3086 30.086 10.067 49.782 1.00 0.00 WT2 H ATOM 29907 H2 TIP3 3086 30.086 8.570 49.550 1.00 0.00 WT2 H ATOM 29908 OH2 TIP3 3087 37.354 47.858 38.736 1.00 0.00 WT2 O ATOM 29909 H1 TIP3 3087 37.672 46.998 39.012 1.00 0.00 WT2 H ATOM 29910 H2 TIP3 3087 38.018 48.174 38.123 1.00 0.00 WT2 H ATOM 29911 OH2 TIP3 3088 56.996 39.411 39.061 1.00 0.00 WT2 O ATOM 29912 H1 TIP3 3088 56.212 39.311 38.521 1.00 0.00 WT2 H ATOM 29913 H2 TIP3 3088 57.094 40.357 39.168 1.00 0.00 WT2 H ATOM 29914 OH2 TIP3 3091 39.121 70.284 28.705 1.00 0.00 WT2 O ATOM 29915 H1 TIP3 3091 39.589 69.627 28.189 1.00 0.00 WT2 H ATOM 29916 H2 TIP3 3091 39.812 70.785 29.139 1.00 0.00 WT2 H ATOM 29917 OH2 TIP3 3092 38.168 69.114 -8.993 1.00 0.00 WT2 O ATOM 29918 H1 TIP3 3092 37.317 69.173 -8.559 1.00 0.00 WT2 H ATOM 29919 H2 TIP3 3092 38.462 70.022 -9.068 1.00 0.00 WT2 H ATOM 29920 OH2 TIP3 3093 54.778 53.023 60.322 1.00 0.00 WT2 O ATOM 29921 H1 TIP3 3093 54.913 52.529 59.513 1.00 0.00 WT2 H ATOM 29922 H2 TIP3 3093 53.897 53.387 60.238 1.00 0.00 WT2 H ATOM 29923 OH2 TIP3 3094 62.727 94.416 45.633 1.00 0.00 WT2 O ATOM 29924 H1 TIP3 3094 61.883 94.359 46.079 1.00 0.00 WT2 H ATOM 29925 H2 TIP3 3094 62.505 94.465 44.703 1.00 0.00 WT2 H ATOM 29926 OH2 TIP3 3095 79.106 90.721 64.063 1.00 0.00 WT2 O ATOM 29927 H1 TIP3 3095 79.485 91.390 63.493 1.00 0.00 WT2 H ATOM 29928 H2 TIP3 3095 78.375 91.162 64.497 1.00 0.00 WT2 H ATOM 29929 OH2 TIP3 3097 75.022 45.794 -10.250 1.00 0.00 WT2 O ATOM 29930 H1 TIP3 3097 74.255 45.591 -9.714 1.00 0.00 WT2 H ATOM 29931 H2 TIP3 3097 75.227 46.705 -10.041 1.00 0.00 WT2 H ATOM 29932 OH2 TIP3 3108 40.797 13.486 39.056 1.00 0.00 WT2 O ATOM 29933 H1 TIP3 3108 40.572 14.266 38.549 1.00 0.00 WT2 H ATOM 29934 H2 TIP3 3108 41.704 13.296 38.814 1.00 0.00 WT2 H ATOM 29935 OH2 TIP3 3109 46.590 59.099 61.610 1.00 0.00 WT2 O ATOM 29936 H1 TIP3 3109 46.985 59.911 61.294 1.00 0.00 WT2 H ATOM 29937 H2 TIP3 3109 47.332 58.517 61.769 1.00 0.00 WT2 H ATOM 29938 OH2 TIP3 3110 25.282 58.486 41.342 1.00 0.00 WT2 O ATOM 29939 H1 TIP3 3110 25.308 58.965 42.170 1.00 0.00 WT2 H ATOM 29940 H2 TIP3 3110 25.775 59.035 40.732 1.00 0.00 WT2 H ATOM 29941 OH2 TIP3 3111 48.869 8.766 51.670 1.00 0.00 WT2 O ATOM 29942 H1 TIP3 3111 48.578 8.265 52.431 1.00 0.00 WT2 H ATOM 29943 H2 TIP3 3111 48.318 8.454 50.952 1.00 0.00 WT2 H ATOM 29944 OH2 TIP3 3112 74.377 27.061 43.728 1.00 0.00 WT2 O ATOM 29945 H1 TIP3 3112 75.305 27.096 43.959 1.00 0.00 WT2 H ATOM 29946 H2 TIP3 3112 74.289 26.261 43.209 1.00 0.00 WT2 H ATOM 29947 OH2 TIP3 3114 50.135 29.621 -16.481 1.00 0.00 WT2 O ATOM 29948 H1 TIP3 3114 50.004 30.568 -16.433 1.00 0.00 WT2 H ATOM 29949 H2 TIP3 3114 49.281 29.249 -16.261 1.00 0.00 WT2 H ATOM 29950 OH2 TIP3 3115 20.268 6.219 54.966 1.00 0.00 WT2 O ATOM 29951 H1 TIP3 3115 21.010 6.348 55.556 1.00 0.00 WT2 H ATOM 29952 H2 TIP3 3115 19.512 6.132 55.547 1.00 0.00 WT2 H ATOM 29953 OH2 TIP3 3116 39.596 87.523 22.962 1.00 0.00 WT2 O ATOM 29954 H1 TIP3 3116 40.377 88.074 22.921 1.00 0.00 WT2 H ATOM 29955 H2 TIP3 3116 39.676 87.056 23.794 1.00 0.00 WT2 H ATOM 29956 OH2 TIP3 3128 39.169 9.899 52.727 1.00 0.00 WT2 O ATOM 29957 H1 TIP3 3128 40.100 9.887 52.507 1.00 0.00 WT2 H ATOM 29958 H2 TIP3 3128 39.112 10.460 53.500 1.00 0.00 WT2 H ATOM 29959 OH2 TIP3 3129 51.040 43.134 31.990 1.00 0.00 WT2 O ATOM 29960 H1 TIP3 3129 51.161 43.623 31.176 1.00 0.00 WT2 H ATOM 29961 H2 TIP3 3129 51.429 42.276 31.815 1.00 0.00 WT2 H ATOM 29962 OH2 TIP3 3131 41.322 15.170 50.696 1.00 0.00 WT2 O ATOM 29963 H1 TIP3 3131 41.067 15.769 51.398 1.00 0.00 WT2 H ATOM 29964 H2 TIP3 3131 41.425 15.730 49.927 1.00 0.00 WT2 H ATOM 29965 OH2 TIP3 3134 69.432 23.239 -9.982 1.00 0.00 WT2 O ATOM 29966 H1 TIP3 3134 68.918 22.928 -10.727 1.00 0.00 WT2 H ATOM 29967 H2 TIP3 3134 70.212 22.685 -9.980 1.00 0.00 WT2 H ATOM 29968 OH2 TIP3 3140 71.482 0.850 32.462 1.00 0.00 WT2 O ATOM 29969 H1 TIP3 3140 71.816 1.525 33.053 1.00 0.00 WT2 H ATOM 29970 H2 TIP3 3140 71.356 0.083 33.020 1.00 0.00 WT2 H ATOM 29971 OH2 TIP3 3150 32.880 25.595 -1.398 1.00 0.00 WT2 O ATOM 29972 H1 TIP3 3150 32.447 26.220 -1.980 1.00 0.00 WT2 H ATOM 29973 H2 TIP3 3150 32.360 24.796 -1.474 1.00 0.00 WT2 H ATOM 29974 OH2 TIP3 3151 23.266 89.536 -19.130 1.00 0.00 WT2 O ATOM 29975 H1 TIP3 3151 24.001 90.115 -18.927 1.00 0.00 WT2 H ATOM 29976 H2 TIP3 3151 23.634 88.654 -19.074 1.00 0.00 WT2 H ATOM 29977 OH2 TIP3 3152 37.363 37.996 43.784 1.00 0.00 WT2 O ATOM 29978 H1 TIP3 3152 38.014 37.406 43.403 1.00 0.00 WT2 H ATOM 29979 H2 TIP3 3152 37.453 38.808 43.286 1.00 0.00 WT2 H ATOM 29980 OH2 TIP3 3153 79.966 61.046 21.171 1.00 0.00 WT2 O ATOM 29981 H1 TIP3 3153 79.714 61.705 20.524 1.00 0.00 WT2 H ATOM 29982 H2 TIP3 3153 79.306 61.120 21.860 1.00 0.00 WT2 H ATOM 29983 OH2 TIP3 3154 82.646 84.525 31.166 1.00 0.00 WT2 O ATOM 29984 H1 TIP3 3154 81.742 84.521 30.852 1.00 0.00 WT2 H ATOM 29985 H2 TIP3 3154 82.637 83.950 31.931 1.00 0.00 WT2 H ATOM 29986 OH2 TIP3 3157 51.545 74.488 51.766 1.00 0.00 WT2 O ATOM 29987 H1 TIP3 3157 50.767 74.823 51.320 1.00 0.00 WT2 H ATOM 29988 H2 TIP3 3157 51.828 73.746 51.232 1.00 0.00 WT2 H ATOM 29989 OH2 TIP3 3173 47.619 88.072 40.046 1.00 0.00 WT2 O ATOM 29990 H1 TIP3 3173 47.181 88.863 40.359 1.00 0.00 WT2 H ATOM 29991 H2 TIP3 3173 47.896 87.619 40.843 1.00 0.00 WT2 H ATOM 29992 OH2 TIP3 3174 37.264 62.475 35.689 1.00 0.00 WT2 O ATOM 29993 H1 TIP3 3174 37.361 61.523 35.696 1.00 0.00 WT2 H ATOM 29994 H2 TIP3 3174 38.042 62.792 35.230 1.00 0.00 WT2 H ATOM 29995 OH2 TIP3 3176 69.523 22.958 30.286 1.00 0.00 WT2 O ATOM 29996 H1 TIP3 3176 69.345 22.753 29.368 1.00 0.00 WT2 H ATOM 29997 H2 TIP3 3176 69.837 23.862 30.273 1.00 0.00 WT2 H ATOM 29998 OH2 TIP3 3177 82.819 95.266 33.633 1.00 0.00 WT2 O ATOM 29999 H1 TIP3 3177 83.193 94.693 32.964 1.00 0.00 WT2 H ATOM 30000 H2 TIP3 3177 82.124 95.744 33.179 1.00 0.00 WT2 H ATOM 30001 OH2 TIP3 3179 57.109 83.525 45.926 1.00 0.00 WT2 O ATOM 30002 H1 TIP3 3179 56.637 82.692 45.927 1.00 0.00 WT2 H ATOM 30003 H2 TIP3 3179 56.503 84.144 45.520 1.00 0.00 WT2 H ATOM 30004 OH2 TIP3 3187 89.259 66.857 61.383 1.00 0.00 WT2 O ATOM 30005 H1 TIP3 3187 88.811 66.386 62.085 1.00 0.00 WT2 H ATOM 30006 H2 TIP3 3187 89.200 67.778 61.636 1.00 0.00 WT2 H ATOM 30007 OH2 TIP3 3192 32.000 12.584 9.885 1.00 0.00 WT2 O ATOM 30008 H1 TIP3 3192 31.303 13.086 10.306 1.00 0.00 WT2 H ATOM 30009 H2 TIP3 3192 32.809 13.000 10.183 1.00 0.00 WT2 H ATOM 30010 OH2 TIP3 3193 77.104 4.891 64.750 1.00 0.00 WT2 O ATOM 30011 H1 TIP3 3193 76.733 4.833 63.870 1.00 0.00 WT2 H ATOM 30012 H2 TIP3 3193 76.389 5.229 65.290 1.00 0.00 WT2 H ATOM 30013 OH2 TIP3 3195 28.643 57.820 16.309 1.00 0.00 WT2 O ATOM 30014 H1 TIP3 3195 28.671 57.675 17.255 1.00 0.00 WT2 H ATOM 30015 H2 TIP3 3195 29.211 57.142 15.945 1.00 0.00 WT2 H ATOM 30016 OH2 TIP3 3196 56.807 93.879 -4.039 1.00 0.00 WT2 O ATOM 30017 H1 TIP3 3196 56.623 94.814 -4.132 1.00 0.00 WT2 H ATOM 30018 H2 TIP3 3196 56.045 93.531 -3.575 1.00 0.00 WT2 H ATOM 30019 OH2 TIP3 3197 50.043 4.075 60.913 1.00 0.00 WT2 O ATOM 30020 H1 TIP3 3197 50.854 4.507 61.182 1.00 0.00 WT2 H ATOM 30021 H2 TIP3 3197 49.420 4.791 60.789 1.00 0.00 WT2 H ATOM 30022 OH2 TIP3 3198 67.964 85.450 -0.486 1.00 0.00 WT2 O ATOM 30023 H1 TIP3 3198 68.744 85.403 0.067 1.00 0.00 WT2 H ATOM 30024 H2 TIP3 3198 67.949 84.612 -0.950 1.00 0.00 WT2 H ATOM 30025 OH2 TIP3 3200 33.019 88.360 -8.200 1.00 0.00 WT2 O ATOM 30026 H1 TIP3 3200 33.882 87.961 -8.092 1.00 0.00 WT2 H ATOM 30027 H2 TIP3 3200 33.055 89.156 -7.670 1.00 0.00 WT2 H ATOM 30028 OH2 TIP3 3202 35.758 31.713 6.206 1.00 0.00 WT2 O ATOM 30029 H1 TIP3 3202 36.088 31.058 6.822 1.00 0.00 WT2 H ATOM 30030 H2 TIP3 3202 35.294 31.204 5.541 1.00 0.00 WT2 H ATOM 30031 OH2 TIP3 3214 25.477 31.094 38.620 1.00 0.00 WT2 O ATOM 30032 H1 TIP3 3214 25.975 31.738 38.117 1.00 0.00 WT2 H ATOM 30033 H2 TIP3 3214 25.099 30.514 37.960 1.00 0.00 WT2 H ATOM 30034 OH2 TIP3 3215 27.487 85.003 44.019 1.00 0.00 WT2 O ATOM 30035 H1 TIP3 3215 26.999 84.549 43.331 1.00 0.00 WT2 H ATOM 30036 H2 TIP3 3215 27.869 85.763 43.580 1.00 0.00 WT2 H ATOM 30037 OH2 TIP3 3218 32.709 30.201 2.268 1.00 0.00 WT2 O ATOM 30038 H1 TIP3 3218 32.738 29.650 3.051 1.00 0.00 WT2 H ATOM 30039 H2 TIP3 3218 32.837 31.091 2.596 1.00 0.00 WT2 H ATOM 30040 OH2 TIP3 3220 53.455 53.101 44.382 1.00 0.00 WT2 O ATOM 30041 H1 TIP3 3220 53.693 53.135 43.455 1.00 0.00 WT2 H ATOM 30042 H2 TIP3 3220 53.708 52.221 44.662 1.00 0.00 WT2 H ATOM 30043 OH2 TIP3 3233 36.929 47.251 52.136 1.00 0.00 WT2 O ATOM 30044 H1 TIP3 3233 36.255 47.909 51.971 1.00 0.00 WT2 H ATOM 30045 H2 TIP3 3233 37.745 47.670 51.862 1.00 0.00 WT2 H ATOM 30046 OH2 TIP3 3234 78.911 89.698 -1.986 1.00 0.00 WT2 O ATOM 30047 H1 TIP3 3234 78.912 90.004 -1.079 1.00 0.00 WT2 H ATOM 30048 H2 TIP3 3234 79.802 89.859 -2.294 1.00 0.00 WT2 H ATOM 30049 OH2 TIP3 3236 23.879 31.489 16.196 1.00 0.00 WT2 O ATOM 30050 H1 TIP3 3236 24.168 31.872 17.024 1.00 0.00 WT2 H ATOM 30051 H2 TIP3 3236 24.430 31.907 15.533 1.00 0.00 WT2 H ATOM 30052 OH2 TIP3 3237 78.567 80.860 53.003 1.00 0.00 WT2 O ATOM 30053 H1 TIP3 3237 79.409 80.919 53.454 1.00 0.00 WT2 H ATOM 30054 H2 TIP3 3237 78.665 80.118 52.407 1.00 0.00 WT2 H ATOM 30055 OH2 TIP3 3238 25.904 31.552 20.369 1.00 0.00 WT2 O ATOM 30056 H1 TIP3 3238 25.352 31.887 19.663 1.00 0.00 WT2 H ATOM 30057 H2 TIP3 3238 26.724 32.038 20.284 1.00 0.00 WT2 H ATOM 30058 OH2 TIP3 3239 31.833 78.459 -1.275 1.00 0.00 WT2 O ATOM 30059 H1 TIP3 3239 31.921 77.548 -1.555 1.00 0.00 WT2 H ATOM 30060 H2 TIP3 3239 32.734 78.760 -1.151 1.00 0.00 WT2 H ATOM 30061 OH2 TIP3 3240 78.427 63.870 58.644 1.00 0.00 WT2 O ATOM 30062 H1 TIP3 3240 78.799 63.789 57.765 1.00 0.00 WT2 H ATOM 30063 H2 TIP3 3240 79.187 63.966 59.218 1.00 0.00 WT2 H ATOM 30064 OH2 TIP3 3241 66.333 1.833 30.251 1.00 0.00 WT2 O ATOM 30065 H1 TIP3 3241 65.722 1.102 30.338 1.00 0.00 WT2 H ATOM 30066 H2 TIP3 3241 66.735 1.914 31.116 1.00 0.00 WT2 H ATOM 30067 OH2 TIP3 3242 84.476 17.074 54.518 1.00 0.00 WT2 O ATOM 30068 H1 TIP3 3242 85.319 17.527 54.531 1.00 0.00 WT2 H ATOM 30069 H2 TIP3 3242 84.637 16.280 54.008 1.00 0.00 WT2 H ATOM 30070 OH2 TIP3 3243 74.262 40.371 17.814 1.00 0.00 WT2 O ATOM 30071 H1 TIP3 3243 73.742 40.015 17.093 1.00 0.00 WT2 H ATOM 30072 H2 TIP3 3243 73.650 40.422 18.548 1.00 0.00 WT2 H ATOM 30073 OH2 TIP3 3244 53.478 58.331 -5.795 1.00 0.00 WT2 O ATOM 30074 H1 TIP3 3244 52.709 58.801 -6.116 1.00 0.00 WT2 H ATOM 30075 H2 TIP3 3244 53.876 58.927 -5.160 1.00 0.00 WT2 H ATOM 30076 OH2 TIP3 3257 78.715 32.682 66.057 1.00 0.00 WT2 O ATOM 30077 H1 TIP3 3257 79.315 33.359 65.746 1.00 0.00 WT2 H ATOM 30078 H2 TIP3 3257 78.123 32.529 65.321 1.00 0.00 WT2 H ATOM 30079 OH2 TIP3 3258 61.171 54.035 66.001 1.00 0.00 WT2 O ATOM 30080 H1 TIP3 3258 60.616 54.643 65.513 1.00 0.00 WT2 H ATOM 30081 H2 TIP3 3258 60.777 53.998 66.873 1.00 0.00 WT2 H ATOM 30082 OH2 TIP3 3262 89.348 93.794 39.628 1.00 0.00 WT2 O ATOM 30083 H1 TIP3 3262 88.928 93.252 38.960 1.00 0.00 WT2 H ATOM 30084 H2 TIP3 3262 89.965 94.339 39.140 1.00 0.00 WT2 H ATOM 30085 OH2 TIP3 3274 31.578 17.385 -3.145 1.00 0.00 WT2 O ATOM 30086 H1 TIP3 3274 32.004 17.481 -3.997 1.00 0.00 WT2 H ATOM 30087 H2 TIP3 3274 31.386 16.450 -3.077 1.00 0.00 WT2 H ATOM 30088 OH2 TIP3 3275 88.418 37.044 44.621 1.00 0.00 WT2 O ATOM 30089 H1 TIP3 3275 87.861 36.688 45.313 1.00 0.00 WT2 H ATOM 30090 H2 TIP3 3275 88.524 37.967 44.849 1.00 0.00 WT2 H ATOM 30091 OH2 TIP3 3276 39.420 37.957 1.976 1.00 0.00 WT2 O ATOM 30092 H1 TIP3 3276 40.029 37.641 1.309 1.00 0.00 WT2 H ATOM 30093 H2 TIP3 3276 39.963 38.469 2.575 1.00 0.00 WT2 H ATOM 30094 OH2 TIP3 3277 30.843 43.588 60.999 1.00 0.00 WT2 O ATOM 30095 H1 TIP3 3277 31.329 44.406 60.901 1.00 0.00 WT2 H ATOM 30096 H2 TIP3 3277 31.101 43.257 61.859 1.00 0.00 WT2 H ATOM 30097 OH2 TIP3 3278 58.981 67.288 26.805 1.00 0.00 WT2 O ATOM 30098 H1 TIP3 3278 58.215 66.727 26.927 1.00 0.00 WT2 H ATOM 30099 H2 TIP3 3278 59.127 67.293 25.859 1.00 0.00 WT2 H ATOM 30100 OH2 TIP3 3279 50.685 39.451 63.203 1.00 0.00 WT2 O ATOM 30101 H1 TIP3 3279 50.330 39.783 64.027 1.00 0.00 WT2 H ATOM 30102 H2 TIP3 3279 50.653 40.200 62.608 1.00 0.00 WT2 H ATOM 30103 OH2 TIP3 3280 34.308 79.739 50.650 1.00 0.00 WT2 O ATOM 30104 H1 TIP3 3280 33.983 80.587 50.950 1.00 0.00 WT2 H ATOM 30105 H2 TIP3 3280 33.620 79.408 50.073 1.00 0.00 WT2 H ATOM 30106 OH2 TIP3 3282 34.463 -0.153 46.109 1.00 0.00 WT2 O ATOM 30107 H1 TIP3 3282 34.259 0.639 45.612 1.00 0.00 WT2 H ATOM 30108 H2 TIP3 3282 35.385 -0.326 45.916 1.00 0.00 WT2 H ATOM 30109 OH2 TIP3 3283 36.833 74.428 30.071 1.00 0.00 WT2 O ATOM 30110 H1 TIP3 3283 37.318 74.698 29.291 1.00 0.00 WT2 H ATOM 30111 H2 TIP3 3283 37.308 73.663 30.396 1.00 0.00 WT2 H ATOM 30112 OH2 TIP3 3284 70.733 44.481 -15.805 1.00 0.00 WT2 O ATOM 30113 H1 TIP3 3284 71.355 44.579 -16.526 1.00 0.00 WT2 H ATOM 30114 H2 TIP3 3284 69.953 44.954 -16.095 1.00 0.00 WT2 H ATOM 30115 OH2 TIP3 3296 76.344 62.932 50.640 1.00 0.00 WT2 O ATOM 30116 H1 TIP3 3296 75.605 62.435 50.991 1.00 0.00 WT2 H ATOM 30117 H2 TIP3 3296 76.001 63.344 49.848 1.00 0.00 WT2 H ATOM 30118 OH2 TIP3 3298 38.246 18.496 26.523 1.00 0.00 WT2 O ATOM 30119 H1 TIP3 3298 38.217 19.447 26.628 1.00 0.00 WT2 H ATOM 30120 H2 TIP3 3298 38.958 18.345 25.902 1.00 0.00 WT2 H ATOM 30121 OH2 TIP3 3301 81.112 5.048 6.129 1.00 0.00 WT2 O ATOM 30122 H1 TIP3 3301 82.014 4.925 6.424 1.00 0.00 WT2 H ATOM 30123 H2 TIP3 3301 81.190 5.248 5.196 1.00 0.00 WT2 H ATOM 30124 OH2 TIP3 3302 85.136 16.522 45.484 1.00 0.00 WT2 O ATOM 30125 H1 TIP3 3302 85.519 16.455 46.359 1.00 0.00 WT2 H ATOM 30126 H2 TIP3 3302 84.201 16.651 45.640 1.00 0.00 WT2 H ATOM 30127 OH2 TIP3 3303 38.520 83.788 48.470 1.00 0.00 WT2 O ATOM 30128 H1 TIP3 3303 37.868 83.593 49.143 1.00 0.00 WT2 H ATOM 30129 H2 TIP3 3303 38.262 84.644 48.127 1.00 0.00 WT2 H ATOM 30130 OH2 TIP3 3304 61.084 21.670 22.854 1.00 0.00 WT2 O ATOM 30131 H1 TIP3 3304 60.869 22.375 22.243 1.00 0.00 WT2 H ATOM 30132 H2 TIP3 3304 60.452 21.770 23.567 1.00 0.00 WT2 H ATOM 30133 OH2 TIP3 3308 46.235 83.236 0.032 1.00 0.00 WT2 O ATOM 30134 H1 TIP3 3308 46.670 84.088 0.026 1.00 0.00 WT2 H ATOM 30135 H2 TIP3 3308 46.443 82.854 -0.821 1.00 0.00 WT2 H ATOM 30136 OH2 TIP3 3317 34.597 83.738 8.597 1.00 0.00 WT2 O ATOM 30137 H1 TIP3 3317 34.220 83.383 7.792 1.00 0.00 WT2 H ATOM 30138 H2 TIP3 3317 33.841 84.020 9.112 1.00 0.00 WT2 H ATOM 30139 OH2 TIP3 3319 53.588 16.004 -10.282 1.00 0.00 WT2 O ATOM 30140 H1 TIP3 3319 52.759 15.525 -10.294 1.00 0.00 WT2 H ATOM 30141 H2 TIP3 3319 53.477 16.657 -9.591 1.00 0.00 WT2 H ATOM 30142 OH2 TIP3 3320 48.723 34.769 44.125 1.00 0.00 WT2 O ATOM 30143 H1 TIP3 3320 48.890 35.579 44.608 1.00 0.00 WT2 H ATOM 30144 H2 TIP3 3320 48.845 35.008 43.206 1.00 0.00 WT2 H ATOM 30145 OH2 TIP3 3321 50.147 30.934 -5.198 1.00 0.00 WT2 O ATOM 30146 H1 TIP3 3321 49.966 29.994 -5.210 1.00 0.00 WT2 H ATOM 30147 H2 TIP3 3321 50.472 31.105 -4.314 1.00 0.00 WT2 H ATOM 30148 OH2 TIP3 3322 32.877 15.885 35.367 1.00 0.00 WT2 O ATOM 30149 H1 TIP3 3322 32.014 16.101 35.721 1.00 0.00 WT2 H ATOM 30150 H2 TIP3 3322 33.455 16.566 35.712 1.00 0.00 WT2 H ATOM 30151 OH2 TIP3 3323 64.961 3.798 14.166 1.00 0.00 WT2 O ATOM 30152 H1 TIP3 3323 64.050 3.945 14.420 1.00 0.00 WT2 H ATOM 30153 H2 TIP3 3323 65.465 3.993 14.956 1.00 0.00 WT2 H ATOM 30154 OH2 TIP3 3326 72.142 49.596 67.175 1.00 0.00 WT2 O ATOM 30155 H1 TIP3 3326 71.291 49.638 66.739 1.00 0.00 WT2 H ATOM 30156 H2 TIP3 3326 72.780 49.687 66.466 1.00 0.00 WT2 H ATOM 30157 OH2 TIP3 3337 82.879 19.464 54.037 1.00 0.00 WT2 O ATOM 30158 H1 TIP3 3337 82.021 19.115 53.794 1.00 0.00 WT2 H ATOM 30159 H2 TIP3 3337 83.374 18.700 54.331 1.00 0.00 WT2 H ATOM 30160 OH2 TIP3 3341 21.554 10.659 44.072 1.00 0.00 WT2 O ATOM 30161 H1 TIP3 3341 21.511 10.993 43.176 1.00 0.00 WT2 H ATOM 30162 H2 TIP3 3341 21.920 9.779 43.984 1.00 0.00 WT2 H ATOM 30163 OH2 TIP3 3342 39.694 52.219 63.053 1.00 0.00 WT2 O ATOM 30164 H1 TIP3 3342 38.914 52.736 63.256 1.00 0.00 WT2 H ATOM 30165 H2 TIP3 3342 39.360 51.342 62.866 1.00 0.00 WT2 H ATOM 30166 OH2 TIP3 3344 27.419 37.244 41.080 1.00 0.00 WT2 O ATOM 30167 H1 TIP3 3344 28.050 37.731 41.609 1.00 0.00 WT2 H ATOM 30168 H2 TIP3 3344 27.119 37.873 40.425 1.00 0.00 WT2 H ATOM 30169 OH2 TIP3 3345 65.996 65.701 44.173 1.00 0.00 WT2 O ATOM 30170 H1 TIP3 3345 65.894 65.173 43.381 1.00 0.00 WT2 H ATOM 30171 H2 TIP3 3345 65.731 65.119 44.886 1.00 0.00 WT2 H ATOM 30172 OH2 TIP3 3347 58.968 28.495 -9.061 1.00 0.00 WT2 O ATOM 30173 H1 TIP3 3347 58.536 29.203 -8.584 1.00 0.00 WT2 H ATOM 30174 H2 TIP3 3347 59.170 27.842 -8.391 1.00 0.00 WT2 H ATOM 30175 OH2 TIP3 3348 25.666 50.482 24.925 1.00 0.00 WT2 O ATOM 30176 H1 TIP3 3348 26.489 50.217 25.335 1.00 0.00 WT2 H ATOM 30177 H2 TIP3 3348 25.203 49.660 24.763 1.00 0.00 WT2 H ATOM 30178 OH2 TIP3 3349 89.477 18.763 60.611 1.00 0.00 WT2 O ATOM 30179 H1 TIP3 3349 89.600 18.953 61.541 1.00 0.00 WT2 H ATOM 30180 H2 TIP3 3349 89.966 19.451 60.159 1.00 0.00 WT2 H ATOM 30181 OH2 TIP3 3360 90.203 96.000 35.135 1.00 0.00 WT2 O ATOM 30182 H1 TIP3 3360 90.976 96.321 34.670 1.00 0.00 WT2 H ATOM 30183 H2 TIP3 3360 89.464 96.404 34.680 1.00 0.00 WT2 H ATOM 30184 OH2 TIP3 3361 67.068 90.152 30.098 1.00 0.00 WT2 O ATOM 30185 H1 TIP3 3361 67.181 89.801 30.981 1.00 0.00 WT2 H ATOM 30186 H2 TIP3 3361 66.237 90.626 30.133 1.00 0.00 WT2 H ATOM 30187 OH2 TIP3 3362 81.611 87.743 66.213 1.00 0.00 WT2 O ATOM 30188 H1 TIP3 3362 80.968 88.148 66.796 1.00 0.00 WT2 H ATOM 30189 H2 TIP3 3362 81.878 86.945 66.670 1.00 0.00 WT2 H ATOM 30190 OH2 TIP3 3363 59.969 40.494 2.750 1.00 0.00 WT2 O ATOM 30191 H1 TIP3 3363 59.525 40.771 3.551 1.00 0.00 WT2 H ATOM 30192 H2 TIP3 3363 59.336 39.925 2.311 1.00 0.00 WT2 H ATOM 30193 OH2 TIP3 3364 75.369 83.885 22.927 1.00 0.00 WT2 O ATOM 30194 H1 TIP3 3364 74.836 83.746 22.144 1.00 0.00 WT2 H ATOM 30195 H2 TIP3 3364 76.273 83.833 22.615 1.00 0.00 WT2 H ATOM 30196 OH2 TIP3 3366 22.980 48.410 27.138 1.00 0.00 WT2 O ATOM 30197 H1 TIP3 3366 22.973 47.728 26.467 1.00 0.00 WT2 H ATOM 30198 H2 TIP3 3366 22.063 48.500 27.398 1.00 0.00 WT2 H ATOM 30199 OH2 TIP3 3367 61.050 13.286 -17.145 1.00 0.00 WT2 O ATOM 30200 H1 TIP3 3367 61.198 12.358 -17.328 1.00 0.00 WT2 H ATOM 30201 H2 TIP3 3367 61.911 13.621 -16.894 1.00 0.00 WT2 H ATOM 30202 OH2 TIP3 3381 54.943 7.958 0.683 1.00 0.00 WT2 O ATOM 30203 H1 TIP3 3381 55.791 7.580 0.915 1.00 0.00 WT2 H ATOM 30204 H2 TIP3 3381 54.389 7.788 1.445 1.00 0.00 WT2 H ATOM 30205 OH2 TIP3 3382 26.559 83.213 21.104 1.00 0.00 WT2 O ATOM 30206 H1 TIP3 3382 26.745 83.934 20.502 1.00 0.00 WT2 H ATOM 30207 H2 TIP3 3382 26.758 83.567 21.971 1.00 0.00 WT2 H ATOM 30208 OH2 TIP3 3383 86.755 50.848 -11.883 1.00 0.00 WT2 O ATOM 30209 H1 TIP3 3383 86.884 50.665 -12.813 1.00 0.00 WT2 H ATOM 30210 H2 TIP3 3383 85.805 50.858 -11.769 1.00 0.00 WT2 H ATOM 30211 OH2 TIP3 3384 33.730 47.834 -9.699 1.00 0.00 WT2 O ATOM 30212 H1 TIP3 3384 33.456 48.461 -9.029 1.00 0.00 WT2 H ATOM 30213 H2 TIP3 3384 32.960 47.283 -9.841 1.00 0.00 WT2 H ATOM 30214 OH2 TIP3 3386 64.358 26.721 -0.629 1.00 0.00 WT2 O ATOM 30215 H1 TIP3 3386 64.181 27.551 -0.186 1.00 0.00 WT2 H ATOM 30216 H2 TIP3 3386 63.492 26.373 -0.840 1.00 0.00 WT2 H ATOM 30217 OH2 TIP3 3387 64.096 51.181 -19.911 1.00 0.00 WT2 O ATOM 30218 H1 TIP3 3387 64.269 51.635 -19.086 1.00 0.00 WT2 H ATOM 30219 H2 TIP3 3387 63.679 50.360 -19.649 1.00 0.00 WT2 H ATOM 30220 OH2 TIP3 3388 89.094 4.559 -19.155 1.00 0.00 WT2 O ATOM 30221 H1 TIP3 3388 89.670 4.603 -19.919 1.00 0.00 WT2 H ATOM 30222 H2 TIP3 3388 89.289 5.355 -18.661 1.00 0.00 WT2 H ATOM 30223 OH2 TIP3 3389 28.985 60.198 -18.704 1.00 0.00 WT2 O ATOM 30224 H1 TIP3 3389 28.336 59.589 -18.351 1.00 0.00 WT2 H ATOM 30225 H2 TIP3 3389 29.822 59.748 -18.593 1.00 0.00 WT2 H ATOM 30226 OH2 TIP3 3402 31.435 59.517 47.360 1.00 0.00 WT2 O ATOM 30227 H1 TIP3 3402 30.864 60.130 47.822 1.00 0.00 WT2 H ATOM 30228 H2 TIP3 3402 32.239 59.500 47.878 1.00 0.00 WT2 H ATOM 30229 OH2 TIP3 3404 39.707 72.266 35.914 1.00 0.00 WT2 O ATOM 30230 H1 TIP3 3404 40.047 73.136 35.702 1.00 0.00 WT2 H ATOM 30231 H2 TIP3 3404 39.758 72.214 36.868 1.00 0.00 WT2 H ATOM 30232 OH2 TIP3 3405 60.602 71.748 -8.032 1.00 0.00 WT2 O ATOM 30233 H1 TIP3 3405 59.921 72.387 -8.242 1.00 0.00 WT2 H ATOM 30234 H2 TIP3 3405 60.242 71.245 -7.301 1.00 0.00 WT2 H ATOM 30235 OH2 TIP3 3406 28.677 61.191 -11.078 1.00 0.00 WT2 O ATOM 30236 H1 TIP3 3406 29.195 60.471 -10.718 1.00 0.00 WT2 H ATOM 30237 H2 TIP3 3406 28.041 61.395 -10.391 1.00 0.00 WT2 H ATOM 30238 OH2 TIP3 3407 75.501 37.108 55.417 1.00 0.00 WT2 O ATOM 30239 H1 TIP3 3407 76.004 37.524 56.117 1.00 0.00 WT2 H ATOM 30240 H2 TIP3 3407 74.881 37.780 55.135 1.00 0.00 WT2 H ATOM 30241 OH2 TIP3 3408 87.667 50.976 42.346 1.00 0.00 WT2 O ATOM 30242 H1 TIP3 3408 87.089 50.971 43.109 1.00 0.00 WT2 H ATOM 30243 H2 TIP3 3408 88.070 51.844 42.355 1.00 0.00 WT2 H ATOM 30244 OH2 TIP3 3409 60.692 54.486 53.509 1.00 0.00 WT2 O ATOM 30245 H1 TIP3 3409 60.186 53.712 53.758 1.00 0.00 WT2 H ATOM 30246 H2 TIP3 3409 60.145 54.932 52.862 1.00 0.00 WT2 H ATOM 30247 OH2 TIP3 3411 24.043 8.220 62.406 1.00 0.00 WT2 O ATOM 30248 H1 TIP3 3411 24.612 7.838 61.738 1.00 0.00 WT2 H ATOM 30249 H2 TIP3 3411 23.204 8.348 61.963 1.00 0.00 WT2 H ATOM 30250 OH2 TIP3 3422 84.400 48.807 -12.097 1.00 0.00 WT2 O ATOM 30251 H1 TIP3 3422 83.717 48.918 -12.758 1.00 0.00 WT2 H ATOM 30252 H2 TIP3 3422 85.127 48.399 -12.568 1.00 0.00 WT2 H ATOM 30253 OH2 TIP3 3424 47.528 37.797 -11.744 1.00 0.00 WT2 O ATOM 30254 H1 TIP3 3424 47.388 37.932 -10.807 1.00 0.00 WT2 H ATOM 30255 H2 TIP3 3424 47.029 37.007 -11.951 1.00 0.00 WT2 H ATOM 30256 OH2 TIP3 3426 75.308 3.174 55.254 1.00 0.00 WT2 O ATOM 30257 H1 TIP3 3426 75.961 3.563 55.837 1.00 0.00 WT2 H ATOM 30258 H2 TIP3 3426 75.822 2.731 54.579 1.00 0.00 WT2 H ATOM 30259 OH2 TIP3 3427 87.876 37.513 -1.600 1.00 0.00 WT2 O ATOM 30260 H1 TIP3 3427 88.056 36.578 -1.700 1.00 0.00 WT2 H ATOM 30261 H2 TIP3 3427 87.193 37.556 -0.931 1.00 0.00 WT2 H ATOM 30262 OH2 TIP3 3428 88.284 21.474 56.537 1.00 0.00 WT2 O ATOM 30263 H1 TIP3 3428 88.030 22.307 56.139 1.00 0.00 WT2 H ATOM 30264 H2 TIP3 3428 87.502 21.184 57.006 1.00 0.00 WT2 H ATOM 30265 OH2 TIP3 3429 86.189 91.981 -15.999 1.00 0.00 WT2 O ATOM 30266 H1 TIP3 3429 86.665 91.161 -16.131 1.00 0.00 WT2 H ATOM 30267 H2 TIP3 3429 85.404 91.727 -15.513 1.00 0.00 WT2 H ATOM 30268 OH2 TIP3 3430 36.512 57.059 41.576 1.00 0.00 WT2 O ATOM 30269 H1 TIP3 3430 37.288 57.465 41.191 1.00 0.00 WT2 H ATOM 30270 H2 TIP3 3430 35.794 57.318 40.998 1.00 0.00 WT2 H ATOM 30271 OH2 TIP3 3431 86.509 49.294 -1.377 1.00 0.00 WT2 O ATOM 30272 H1 TIP3 3431 86.913 48.932 -0.588 1.00 0.00 WT2 H ATOM 30273 H2 TIP3 3431 85.691 49.684 -1.070 1.00 0.00 WT2 H ATOM 30274 OH2 TIP3 3442 65.794 48.407 -8.764 1.00 0.00 WT2 O ATOM 30275 H1 TIP3 3442 65.957 48.767 -7.892 1.00 0.00 WT2 H ATOM 30276 H2 TIP3 3442 66.340 48.934 -9.347 1.00 0.00 WT2 H ATOM 30277 OH2 TIP3 3444 71.251 26.498 42.883 1.00 0.00 WT2 O ATOM 30278 H1 TIP3 3444 71.031 27.199 42.270 1.00 0.00 WT2 H ATOM 30279 H2 TIP3 3444 70.871 25.711 42.493 1.00 0.00 WT2 H ATOM 30280 OH2 TIP3 3446 40.771 17.369 -18.603 1.00 0.00 WT2 O ATOM 30281 H1 TIP3 3446 41.026 16.581 -19.082 1.00 0.00 WT2 H ATOM 30282 H2 TIP3 3446 40.786 17.106 -17.682 1.00 0.00 WT2 H ATOM 30283 OH2 TIP3 3447 89.072 2.282 42.189 1.00 0.00 WT2 O ATOM 30284 H1 TIP3 3447 88.238 2.478 42.617 1.00 0.00 WT2 H ATOM 30285 H2 TIP3 3447 89.281 1.391 42.469 1.00 0.00 WT2 H ATOM 30286 OH2 TIP3 3449 53.956 64.158 46.425 1.00 0.00 WT2 O ATOM 30287 H1 TIP3 3449 53.452 63.510 45.933 1.00 0.00 WT2 H ATOM 30288 H2 TIP3 3449 53.585 65.001 46.163 1.00 0.00 WT2 H ATOM 30289 OH2 TIP3 3450 29.933 48.555 -17.731 1.00 0.00 WT2 O ATOM 30290 H1 TIP3 3450 29.499 47.739 -17.482 1.00 0.00 WT2 H ATOM 30291 H2 TIP3 3450 30.857 48.406 -17.528 1.00 0.00 WT2 H ATOM 30292 OH2 TIP3 3465 37.556 33.992 62.186 1.00 0.00 WT2 O ATOM 30293 H1 TIP3 3465 37.852 34.851 62.488 1.00 0.00 WT2 H ATOM 30294 H2 TIP3 3465 37.365 34.117 61.256 1.00 0.00 WT2 H ATOM 30295 OH2 TIP3 3466 26.375 58.372 21.519 1.00 0.00 WT2 O ATOM 30296 H1 TIP3 3466 27.031 58.883 21.994 1.00 0.00 WT2 H ATOM 30297 H2 TIP3 3466 26.084 58.952 20.815 1.00 0.00 WT2 H ATOM 30298 OH2 TIP3 3467 74.212 7.433 46.319 1.00 0.00 WT2 O ATOM 30299 H1 TIP3 3467 74.772 8.208 46.265 1.00 0.00 WT2 H ATOM 30300 H2 TIP3 3467 74.390 6.953 45.510 1.00 0.00 WT2 H ATOM 30301 OH2 TIP3 3470 34.014 33.087 34.181 1.00 0.00 WT2 O ATOM 30302 H1 TIP3 3470 34.786 33.653 34.172 1.00 0.00 WT2 H ATOM 30303 H2 TIP3 3470 33.710 33.082 33.273 1.00 0.00 WT2 H ATOM 30304 OH2 TIP3 3471 38.632 92.444 45.056 1.00 0.00 WT2 O ATOM 30305 H1 TIP3 3471 38.146 92.630 44.252 1.00 0.00 WT2 H ATOM 30306 H2 TIP3 3471 39.528 92.721 44.864 1.00 0.00 WT2 H ATOM 30307 OH2 TIP3 3472 49.247 90.348 -4.540 1.00 0.00 WT2 O ATOM 30308 H1 TIP3 3472 48.427 90.383 -5.034 1.00 0.00 WT2 H ATOM 30309 H2 TIP3 3472 49.414 89.413 -4.419 1.00 0.00 WT2 H ATOM 30310 OH2 TIP3 3473 28.313 40.714 14.456 1.00 0.00 WT2 O ATOM 30311 H1 TIP3 3473 28.466 40.963 15.368 1.00 0.00 WT2 H ATOM 30312 H2 TIP3 3473 28.321 41.543 13.977 1.00 0.00 WT2 H ATOM 30313 OH2 TIP3 3484 70.364 73.028 60.932 1.00 0.00 WT2 O ATOM 30314 H1 TIP3 3484 70.629 73.428 60.104 1.00 0.00 WT2 H ATOM 30315 H2 TIP3 3484 70.302 72.092 60.738 1.00 0.00 WT2 H ATOM 30316 OH2 TIP3 3486 36.274 33.148 47.173 1.00 0.00 WT2 O ATOM 30317 H1 TIP3 3486 36.440 33.297 48.104 1.00 0.00 WT2 H ATOM 30318 H2 TIP3 3486 35.647 32.425 47.154 1.00 0.00 WT2 H ATOM 30319 OH2 TIP3 3488 34.863 56.223 28.501 1.00 0.00 WT2 O ATOM 30320 H1 TIP3 3488 35.692 56.425 28.068 1.00 0.00 WT2 H ATOM 30321 H2 TIP3 3488 34.204 56.320 27.814 1.00 0.00 WT2 H ATOM 30322 OH2 TIP3 3489 62.526 58.770 -18.174 1.00 0.00 WT2 O ATOM 30323 H1 TIP3 3489 62.776 58.445 -17.309 1.00 0.00 WT2 H ATOM 30324 H2 TIP3 3489 61.972 59.530 -17.994 1.00 0.00 WT2 H ATOM 30325 OH2 TIP3 3490 32.070 74.795 -12.568 1.00 0.00 WT2 O ATOM 30326 H1 TIP3 3490 32.712 74.935 -11.872 1.00 0.00 WT2 H ATOM 30327 H2 TIP3 3490 31.298 74.452 -12.118 1.00 0.00 WT2 H ATOM 30328 OH2 TIP3 3494 38.443 34.641 49.366 1.00 0.00 WT2 O ATOM 30329 H1 TIP3 3494 38.685 33.715 49.361 1.00 0.00 WT2 H ATOM 30330 H2 TIP3 3494 37.536 34.650 49.670 1.00 0.00 WT2 H ATOM 30331 OH2 TIP3 3495 65.037 21.965 -15.819 1.00 0.00 WT2 O ATOM 30332 H1 TIP3 3495 64.951 22.665 -15.172 1.00 0.00 WT2 H ATOM 30333 H2 TIP3 3495 64.673 22.335 -16.623 1.00 0.00 WT2 H ATOM 30334 OH2 TIP3 3508 32.994 56.488 32.940 1.00 0.00 WT2 O ATOM 30335 H1 TIP3 3508 33.119 57.391 32.650 1.00 0.00 WT2 H ATOM 30336 H2 TIP3 3508 33.872 56.188 33.176 1.00 0.00 WT2 H ATOM 30337 OH2 TIP3 3510 54.028 43.644 52.549 1.00 0.00 WT2 O ATOM 30338 H1 TIP3 3510 53.652 43.998 51.743 1.00 0.00 WT2 H ATOM 30339 H2 TIP3 3510 53.295 43.208 52.984 1.00 0.00 WT2 H ATOM 30340 OH2 TIP3 3511 27.156 65.860 26.857 1.00 0.00 WT2 O ATOM 30341 H1 TIP3 3511 26.267 65.866 26.504 1.00 0.00 WT2 H ATOM 30342 H2 TIP3 3511 27.389 66.784 26.940 1.00 0.00 WT2 H ATOM 30343 OH2 TIP3 3512 90.284 42.668 58.124 1.00 0.00 WT2 O ATOM 30344 H1 TIP3 3512 89.439 42.956 58.470 1.00 0.00 WT2 H ATOM 30345 H2 TIP3 3512 90.123 41.779 57.809 1.00 0.00 WT2 H ATOM 30346 OH2 TIP3 3513 26.305 10.038 -17.166 1.00 0.00 WT2 O ATOM 30347 H1 TIP3 3513 26.130 9.812 -18.080 1.00 0.00 WT2 H ATOM 30348 H2 TIP3 3513 25.444 10.029 -16.748 1.00 0.00 WT2 H ATOM 30349 OH2 TIP3 3514 51.945 81.830 19.283 1.00 0.00 WT2 O ATOM 30350 H1 TIP3 3514 51.950 81.409 20.143 1.00 0.00 WT2 H ATOM 30351 H2 TIP3 3514 52.868 81.874 19.032 1.00 0.00 WT2 H ATOM 30352 OH2 TIP3 3516 56.990 40.585 66.598 1.00 0.00 WT2 O ATOM 30353 H1 TIP3 3516 57.700 40.390 67.210 1.00 0.00 WT2 H ATOM 30354 H2 TIP3 3516 57.426 40.982 65.844 1.00 0.00 WT2 H ATOM 30355 OH2 TIP3 3526 53.456 32.188 -9.393 1.00 0.00 WT2 O ATOM 30356 H1 TIP3 3526 54.115 32.197 -10.088 1.00 0.00 WT2 H ATOM 30357 H2 TIP3 3526 53.851 32.690 -8.681 1.00 0.00 WT2 H ATOM 30358 OH2 TIP3 3527 71.127 92.979 50.837 1.00 0.00 WT2 O ATOM 30359 H1 TIP3 3527 70.223 92.686 50.723 1.00 0.00 WT2 H ATOM 30360 H2 TIP3 3527 71.478 92.412 51.524 1.00 0.00 WT2 H ATOM 30361 OH2 TIP3 3530 36.327 3.921 -9.538 1.00 0.00 WT2 O ATOM 30362 H1 TIP3 3530 35.926 4.556 -8.946 1.00 0.00 WT2 H ATOM 30363 H2 TIP3 3530 36.764 4.455 -10.202 1.00 0.00 WT2 H ATOM 30364 OH2 TIP3 3531 28.793 26.774 4.128 1.00 0.00 WT2 O ATOM 30365 H1 TIP3 3531 28.152 27.259 3.608 1.00 0.00 WT2 H ATOM 30366 H2 TIP3 3531 28.492 26.869 5.031 1.00 0.00 WT2 H ATOM 30367 OH2 TIP3 3533 47.573 73.409 59.360 1.00 0.00 WT2 O ATOM 30368 H1 TIP3 3533 46.690 73.061 59.239 1.00 0.00 WT2 H ATOM 30369 H2 TIP3 3533 47.447 74.214 59.862 1.00 0.00 WT2 H ATOM 30370 OH2 TIP3 3534 60.636 96.298 4.928 1.00 0.00 WT2 O ATOM 30371 H1 TIP3 3534 60.007 96.887 5.345 1.00 0.00 WT2 H ATOM 30372 H2 TIP3 3534 61.423 96.830 4.812 1.00 0.00 WT2 H ATOM 30373 OH2 TIP3 3535 24.908 59.808 59.056 1.00 0.00 WT2 O ATOM 30374 H1 TIP3 3535 24.576 60.640 58.719 1.00 0.00 WT2 H ATOM 30375 H2 TIP3 3535 24.169 59.430 59.534 1.00 0.00 WT2 H ATOM 30376 OH2 TIP3 3536 53.608 76.844 43.661 1.00 0.00 WT2 O ATOM 30377 H1 TIP3 3536 52.762 76.736 43.226 1.00 0.00 WT2 H ATOM 30378 H2 TIP3 3536 54.180 77.209 42.985 1.00 0.00 WT2 H ATOM 30379 OH2 TIP3 3545 88.878 48.346 -3.840 1.00 0.00 WT2 O ATOM 30380 H1 TIP3 3545 88.734 47.407 -3.956 1.00 0.00 WT2 H ATOM 30381 H2 TIP3 3545 88.056 48.671 -3.474 1.00 0.00 WT2 H ATOM 30382 OH2 TIP3 3548 56.727 76.976 54.923 1.00 0.00 WT2 O ATOM 30383 H1 TIP3 3548 56.220 77.721 55.247 1.00 0.00 WT2 H ATOM 30384 H2 TIP3 3548 56.079 76.284 54.792 1.00 0.00 WT2 H ATOM 30385 OH2 TIP3 3549 78.569 79.772 5.083 1.00 0.00 WT2 O ATOM 30386 H1 TIP3 3549 79.129 79.373 5.749 1.00 0.00 WT2 H ATOM 30387 H2 TIP3 3549 78.190 80.537 5.516 1.00 0.00 WT2 H ATOM 30388 OH2 TIP3 3550 47.903 31.204 61.905 1.00 0.00 WT2 O ATOM 30389 H1 TIP3 3550 48.727 30.737 61.765 1.00 0.00 WT2 H ATOM 30390 H2 TIP3 3550 47.257 30.512 62.047 1.00 0.00 WT2 H ATOM 30391 OH2 TIP3 3551 38.769 93.088 55.499 1.00 0.00 WT2 O ATOM 30392 H1 TIP3 3551 39.711 92.917 55.505 1.00 0.00 WT2 H ATOM 30393 H2 TIP3 3551 38.521 93.098 56.423 1.00 0.00 WT2 H ATOM 30394 OH2 TIP3 3554 21.535 34.176 -0.038 1.00 0.00 WT2 O ATOM 30395 H1 TIP3 3554 20.832 34.197 0.612 1.00 0.00 WT2 H ATOM 30396 H2 TIP3 3554 22.172 33.556 0.316 1.00 0.00 WT2 H ATOM 30397 OH2 TIP3 3555 64.485 77.876 12.698 1.00 0.00 WT2 O ATOM 30398 H1 TIP3 3555 63.605 77.502 12.745 1.00 0.00 WT2 H ATOM 30399 H2 TIP3 3555 64.813 77.832 13.597 1.00 0.00 WT2 H ATOM 30400 OH2 TIP3 3559 61.182 90.134 14.950 1.00 0.00 WT2 O ATOM 30401 H1 TIP3 3559 60.660 89.469 14.501 1.00 0.00 WT2 H ATOM 30402 H2 TIP3 3559 62.076 89.793 14.927 1.00 0.00 WT2 H ATOM 30403 OH2 TIP3 3569 39.556 34.620 44.178 1.00 0.00 WT2 O ATOM 30404 H1 TIP3 3569 38.740 34.230 44.492 1.00 0.00 WT2 H ATOM 30405 H2 TIP3 3569 39.277 35.283 43.547 1.00 0.00 WT2 H ATOM 30406 OH2 TIP3 3570 33.181 70.980 32.397 1.00 0.00 WT2 O ATOM 30407 H1 TIP3 3570 33.391 70.181 31.913 1.00 0.00 WT2 H ATOM 30408 H2 TIP3 3570 33.916 71.567 32.223 1.00 0.00 WT2 H ATOM 30409 OH2 TIP3 3572 75.372 96.213 47.496 1.00 0.00 WT2 O ATOM 30410 H1 TIP3 3572 74.774 95.526 47.199 1.00 0.00 WT2 H ATOM 30411 H2 TIP3 3572 76.230 95.789 47.523 1.00 0.00 WT2 H ATOM 30412 OH2 TIP3 3573 26.000 47.074 47.833 1.00 0.00 WT2 O ATOM 30413 H1 TIP3 3573 26.365 47.958 47.886 1.00 0.00 WT2 H ATOM 30414 H2 TIP3 3573 25.176 47.125 48.317 1.00 0.00 WT2 H ATOM 30415 OH2 TIP3 3574 81.802 36.286 50.050 1.00 0.00 WT2 O ATOM 30416 H1 TIP3 3574 82.638 36.220 50.511 1.00 0.00 WT2 H ATOM 30417 H2 TIP3 3574 81.820 37.153 49.644 1.00 0.00 WT2 H ATOM 30418 OH2 TIP3 3575 30.979 22.135 62.862 1.00 0.00 WT2 O ATOM 30419 H1 TIP3 3575 31.931 22.084 62.939 1.00 0.00 WT2 H ATOM 30420 H2 TIP3 3575 30.770 21.598 62.098 1.00 0.00 WT2 H ATOM 30421 OH2 TIP3 3591 71.157 16.498 -11.066 1.00 0.00 WT2 O ATOM 30422 H1 TIP3 3591 70.493 15.995 -10.594 1.00 0.00 WT2 H ATOM 30423 H2 TIP3 3591 70.914 16.408 -11.988 1.00 0.00 WT2 H ATOM 30424 OH2 TIP3 3593 29.855 24.650 38.789 1.00 0.00 WT2 O ATOM 30425 H1 TIP3 3593 30.173 24.373 39.648 1.00 0.00 WT2 H ATOM 30426 H2 TIP3 3593 29.132 25.247 38.983 1.00 0.00 WT2 H ATOM 30427 OH2 TIP3 3594 33.041 55.103 16.137 1.00 0.00 WT2 O ATOM 30428 H1 TIP3 3594 33.016 54.151 16.046 1.00 0.00 WT2 H ATOM 30429 H2 TIP3 3594 33.967 55.328 16.051 1.00 0.00 WT2 H ATOM 30430 OH2 TIP3 3595 28.671 35.957 -11.485 1.00 0.00 WT2 O ATOM 30431 H1 TIP3 3595 27.900 36.369 -11.876 1.00 0.00 WT2 H ATOM 30432 H2 TIP3 3595 28.750 36.366 -10.623 1.00 0.00 WT2 H ATOM 30433 OH2 TIP3 3596 83.089 31.128 22.232 1.00 0.00 WT2 O ATOM 30434 H1 TIP3 3596 83.639 31.839 22.562 1.00 0.00 WT2 H ATOM 30435 H2 TIP3 3596 83.164 30.440 22.893 1.00 0.00 WT2 H ATOM 30436 OH2 TIP3 3597 54.285 4.642 44.560 1.00 0.00 WT2 O ATOM 30437 H1 TIP3 3597 55.002 5.242 44.355 1.00 0.00 WT2 H ATOM 30438 H2 TIP3 3597 54.689 3.774 44.546 1.00 0.00 WT2 H ATOM 30439 OH2 TIP3 3599 41.399 53.423 14.859 1.00 0.00 WT2 O ATOM 30440 H1 TIP3 3599 42.063 53.243 15.525 1.00 0.00 WT2 H ATOM 30441 H2 TIP3 3599 41.369 54.378 14.802 1.00 0.00 WT2 H ATOM 30442 OH2 TIP3 3612 74.700 19.922 62.519 1.00 0.00 WT2 O ATOM 30443 H1 TIP3 3612 75.261 20.001 63.291 1.00 0.00 WT2 H ATOM 30444 H2 TIP3 3612 75.182 19.340 61.931 1.00 0.00 WT2 H ATOM 30445 OH2 TIP3 3614 42.547 44.355 -18.322 1.00 0.00 WT2 O ATOM 30446 H1 TIP3 3614 42.941 44.539 -19.175 1.00 0.00 WT2 H ATOM 30447 H2 TIP3 3614 42.986 43.561 -18.020 1.00 0.00 WT2 H ATOM 30448 OH2 TIP3 3615 66.362 92.399 65.313 1.00 0.00 WT2 O ATOM 30449 H1 TIP3 3615 65.961 91.961 64.562 1.00 0.00 WT2 H ATOM 30450 H2 TIP3 3615 66.390 91.728 65.995 1.00 0.00 WT2 H ATOM 30451 OH2 TIP3 3619 49.423 92.859 38.630 1.00 0.00 WT2 O ATOM 30452 H1 TIP3 3619 48.597 92.937 38.152 1.00 0.00 WT2 H ATOM 30453 H2 TIP3 3619 49.880 92.135 38.202 1.00 0.00 WT2 H ATOM 30454 OH2 TIP3 3623 49.580 71.321 4.831 1.00 0.00 WT2 O ATOM 30455 H1 TIP3 3623 49.057 70.520 4.800 1.00 0.00 WT2 H ATOM 30456 H2 TIP3 3623 50.407 71.053 5.229 1.00 0.00 WT2 H ATOM 30457 OH2 TIP3 3633 62.332 23.955 56.542 1.00 0.00 WT2 O ATOM 30458 H1 TIP3 3633 62.426 23.260 55.890 1.00 0.00 WT2 H ATOM 30459 H2 TIP3 3633 61.840 24.641 56.091 1.00 0.00 WT2 H ATOM 30460 OH2 TIP3 3634 51.811 5.949 62.158 1.00 0.00 WT2 O ATOM 30461 H1 TIP3 3634 51.034 6.416 62.466 1.00 0.00 WT2 H ATOM 30462 H2 TIP3 3634 51.955 5.266 62.812 1.00 0.00 WT2 H ATOM 30463 OH2 TIP3 3636 62.201 40.001 25.086 1.00 0.00 WT2 O ATOM 30464 H1 TIP3 3636 62.285 40.868 25.482 1.00 0.00 WT2 H ATOM 30465 H2 TIP3 3636 61.302 39.974 24.757 1.00 0.00 WT2 H ATOM 30466 OH2 TIP3 3638 54.752 52.958 63.128 1.00 0.00 WT2 O ATOM 30467 H1 TIP3 3638 55.230 53.750 63.373 1.00 0.00 WT2 H ATOM 30468 H2 TIP3 3638 54.687 53.003 62.174 1.00 0.00 WT2 H ATOM 30469 OH2 TIP3 3639 49.670 18.427 39.046 1.00 0.00 WT2 O ATOM 30470 H1 TIP3 3639 48.998 17.931 39.513 1.00 0.00 WT2 H ATOM 30471 H2 TIP3 3639 49.541 18.197 38.125 1.00 0.00 WT2 H ATOM 30472 OH2 TIP3 3641 51.212 79.151 3.015 1.00 0.00 WT2 O ATOM 30473 H1 TIP3 3641 51.110 78.410 3.612 1.00 0.00 WT2 H ATOM 30474 H2 TIP3 3641 51.961 79.637 3.361 1.00 0.00 WT2 H ATOM 30475 OH2 TIP3 3650 75.756 1.499 41.778 1.00 0.00 WT2 O ATOM 30476 H1 TIP3 3650 75.213 2.281 41.876 1.00 0.00 WT2 H ATOM 30477 H2 TIP3 3650 76.504 1.651 42.355 1.00 0.00 WT2 H ATOM 30478 OH2 TIP3 3651 57.327 7.515 -12.864 1.00 0.00 WT2 O ATOM 30479 H1 TIP3 3651 58.116 8.054 -12.812 1.00 0.00 WT2 H ATOM 30480 H2 TIP3 3651 57.541 6.838 -13.506 1.00 0.00 WT2 H ATOM 30481 OH2 TIP3 3653 71.522 94.688 -16.847 1.00 0.00 WT2 O ATOM 30482 H1 TIP3 3653 70.934 95.288 -16.389 1.00 0.00 WT2 H ATOM 30483 H2 TIP3 3653 72.263 94.576 -16.252 1.00 0.00 WT2 H ATOM 30484 OH2 TIP3 3659 76.245 40.892 62.417 1.00 0.00 WT2 O ATOM 30485 H1 TIP3 3659 76.970 40.387 62.786 1.00 0.00 WT2 H ATOM 30486 H2 TIP3 3659 76.136 41.629 63.018 1.00 0.00 WT2 H ATOM 30487 OH2 TIP3 3660 23.371 85.953 67.184 1.00 0.00 WT2 O ATOM 30488 H1 TIP3 3660 23.928 85.221 67.449 1.00 0.00 WT2 H ATOM 30489 H2 TIP3 3660 22.572 85.539 66.857 1.00 0.00 WT2 H ATOM 30490 OH2 TIP3 3661 73.533 31.627 -9.020 1.00 0.00 WT2 O ATOM 30491 H1 TIP3 3661 74.470 31.516 -8.861 1.00 0.00 WT2 H ATOM 30492 H2 TIP3 3661 73.112 31.038 -8.394 1.00 0.00 WT2 H ATOM 30493 OH2 TIP3 3662 71.593 78.048 24.908 1.00 0.00 WT2 O ATOM 30494 H1 TIP3 3662 71.376 77.682 25.765 1.00 0.00 WT2 H ATOM 30495 H2 TIP3 3662 71.364 77.357 24.287 1.00 0.00 WT2 H ATOM 30496 OH2 TIP3 3674 54.203 91.736 23.665 1.00 0.00 WT2 O ATOM 30497 H1 TIP3 3674 54.561 92.119 24.466 1.00 0.00 WT2 H ATOM 30498 H2 TIP3 3674 54.755 90.972 23.497 1.00 0.00 WT2 H ATOM 30499 OH2 TIP3 3675 76.269 34.112 52.961 1.00 0.00 WT2 O ATOM 30500 H1 TIP3 3675 76.939 33.708 52.411 1.00 0.00 WT2 H ATOM 30501 H2 TIP3 3675 76.090 33.461 53.640 1.00 0.00 WT2 H ATOM 30502 OH2 TIP3 3677 75.765 39.779 42.394 1.00 0.00 WT2 O ATOM 30503 H1 TIP3 3677 75.583 40.590 42.868 1.00 0.00 WT2 H ATOM 30504 H2 TIP3 3677 76.504 39.995 41.825 1.00 0.00 WT2 H ATOM 30505 OH2 TIP3 3681 73.630 34.573 -4.023 1.00 0.00 WT2 O ATOM 30506 H1 TIP3 3681 73.142 35.027 -4.711 1.00 0.00 WT2 H ATOM 30507 H2 TIP3 3681 74.398 34.216 -4.469 1.00 0.00 WT2 H ATOM 30508 OH2 TIP3 3693 56.245 10.978 18.892 1.00 0.00 WT2 O ATOM 30509 H1 TIP3 3693 56.362 10.916 17.944 1.00 0.00 WT2 H ATOM 30510 H2 TIP3 3693 56.997 11.486 19.195 1.00 0.00 WT2 H ATOM 30511 OH2 TIP3 3697 26.769 31.952 47.998 1.00 0.00 WT2 O ATOM 30512 H1 TIP3 3697 25.843 31.716 47.954 1.00 0.00 WT2 H ATOM 30513 H2 TIP3 3697 27.105 31.466 48.752 1.00 0.00 WT2 H ATOM 30514 OH2 TIP3 3698 70.557 55.296 17.227 1.00 0.00 WT2 O ATOM 30515 H1 TIP3 3698 70.210 56.047 16.746 1.00 0.00 WT2 H ATOM 30516 H2 TIP3 3698 70.126 54.538 16.832 1.00 0.00 WT2 H ATOM 30517 OH2 TIP3 3700 47.213 19.790 -5.010 1.00 0.00 WT2 O ATOM 30518 H1 TIP3 3700 46.306 19.971 -4.765 1.00 0.00 WT2 H ATOM 30519 H2 TIP3 3700 47.220 18.860 -5.236 1.00 0.00 WT2 H ATOM 30520 OH2 TIP3 3701 60.772 37.697 55.137 1.00 0.00 WT2 O ATOM 30521 H1 TIP3 3701 61.078 38.468 54.659 1.00 0.00 WT2 H ATOM 30522 H2 TIP3 3701 60.934 36.966 54.541 1.00 0.00 WT2 H ATOM 30523 OH2 TIP3 3702 46.217 43.625 46.436 1.00 0.00 WT2 O ATOM 30524 H1 TIP3 3702 46.437 43.553 45.507 1.00 0.00 WT2 H ATOM 30525 H2 TIP3 3702 46.557 44.481 46.698 1.00 0.00 WT2 H ATOM 30526 OH2 TIP3 3703 30.527 35.543 50.256 1.00 0.00 WT2 O ATOM 30527 H1 TIP3 3703 30.036 34.756 50.018 1.00 0.00 WT2 H ATOM 30528 H2 TIP3 3703 31.247 35.577 49.626 1.00 0.00 WT2 H ATOM 30529 OH2 TIP3 3705 36.076 92.192 58.376 1.00 0.00 WT2 O ATOM 30530 H1 TIP3 3705 35.535 91.538 58.819 1.00 0.00 WT2 H ATOM 30531 H2 TIP3 3705 36.966 91.844 58.431 1.00 0.00 WT2 H ATOM 30532 OH2 TIP3 3708 35.475 90.418 -9.834 1.00 0.00 WT2 O ATOM 30533 H1 TIP3 3708 35.016 90.773 -9.073 1.00 0.00 WT2 H ATOM 30534 H2 TIP3 3708 35.273 89.483 -9.822 1.00 0.00 WT2 H ATOM 30535 OH2 TIP3 3718 62.500 16.119 -8.587 1.00 0.00 WT2 O ATOM 30536 H1 TIP3 3718 61.750 16.066 -7.994 1.00 0.00 WT2 H ATOM 30537 H2 TIP3 3718 62.602 17.054 -8.762 1.00 0.00 WT2 H ATOM 30538 OH2 TIP3 3719 33.225 4.856 -19.597 1.00 0.00 WT2 O ATOM 30539 H1 TIP3 3719 32.368 5.065 -19.967 1.00 0.00 WT2 H ATOM 30540 H2 TIP3 3719 33.272 5.374 -18.793 1.00 0.00 WT2 H ATOM 30541 OH2 TIP3 3720 75.890 48.698 -8.766 1.00 0.00 WT2 O ATOM 30542 H1 TIP3 3720 75.946 49.646 -8.648 1.00 0.00 WT2 H ATOM 30543 H2 TIP3 3720 75.131 48.435 -8.244 1.00 0.00 WT2 H ATOM 30544 OH2 TIP3 3721 52.502 15.449 60.510 1.00 0.00 WT2 O ATOM 30545 H1 TIP3 3721 52.153 15.383 59.621 1.00 0.00 WT2 H ATOM 30546 H2 TIP3 3721 53.126 16.174 60.469 1.00 0.00 WT2 H ATOM 30547 OH2 TIP3 3722 33.110 78.281 66.085 1.00 0.00 WT2 O ATOM 30548 H1 TIP3 3722 33.921 78.539 65.647 1.00 0.00 WT2 H ATOM 30549 H2 TIP3 3722 33.066 77.332 65.969 1.00 0.00 WT2 H ATOM 30550 OH2 TIP3 3723 55.770 79.366 -19.745 1.00 0.00 WT2 O ATOM 30551 H1 TIP3 3723 56.355 79.478 -18.996 1.00 0.00 WT2 H ATOM 30552 H2 TIP3 3723 55.854 78.442 -19.980 1.00 0.00 WT2 H ATOM 30553 OH2 TIP3 3727 26.452 71.044 -10.538 1.00 0.00 WT2 O ATOM 30554 H1 TIP3 3727 27.306 71.210 -10.139 1.00 0.00 WT2 H ATOM 30555 H2 TIP3 3727 25.929 70.658 -9.835 1.00 0.00 WT2 H ATOM 30556 OH2 TIP3 3737 86.803 9.218 -5.705 1.00 0.00 WT2 O ATOM 30557 H1 TIP3 3737 86.710 8.495 -6.325 1.00 0.00 WT2 H ATOM 30558 H2 TIP3 3737 87.740 9.413 -5.703 1.00 0.00 WT2 H ATOM 30559 OH2 TIP3 3740 35.290 40.433 34.256 1.00 0.00 WT2 O ATOM 30560 H1 TIP3 3740 36.141 40.870 34.227 1.00 0.00 WT2 H ATOM 30561 H2 TIP3 3740 34.819 40.774 33.496 1.00 0.00 WT2 H ATOM 30562 OH2 TIP3 3743 89.008 39.781 28.005 1.00 0.00 WT2 O ATOM 30563 H1 TIP3 3743 88.589 39.461 28.803 1.00 0.00 WT2 H ATOM 30564 H2 TIP3 3743 88.947 40.735 28.068 1.00 0.00 WT2 H ATOM 30565 OH2 TIP3 3757 23.432 16.086 50.588 1.00 0.00 WT2 O ATOM 30566 H1 TIP3 3757 23.560 16.242 51.524 1.00 0.00 WT2 H ATOM 30567 H2 TIP3 3757 24.179 15.544 50.331 1.00 0.00 WT2 H ATOM 30568 OH2 TIP3 3758 86.292 15.361 42.970 1.00 0.00 WT2 O ATOM 30569 H1 TIP3 3758 85.837 15.878 43.635 1.00 0.00 WT2 H ATOM 30570 H2 TIP3 3758 86.583 14.576 43.433 1.00 0.00 WT2 H ATOM 30571 OH2 TIP3 3761 72.952 39.545 -8.972 1.00 0.00 WT2 O ATOM 30572 H1 TIP3 3761 73.719 40.019 -8.653 1.00 0.00 WT2 H ATOM 30573 H2 TIP3 3761 72.313 39.617 -8.264 1.00 0.00 WT2 H ATOM 30574 OH2 TIP3 3762 20.545 55.435 58.202 1.00 0.00 WT2 O ATOM 30575 H1 TIP3 3762 19.942 56.032 57.759 1.00 0.00 WT2 H ATOM 30576 H2 TIP3 3762 20.674 55.823 59.067 1.00 0.00 WT2 H ATOM 30577 OH2 TIP3 3763 36.473 38.112 27.392 1.00 0.00 WT2 O ATOM 30578 H1 TIP3 3763 36.486 37.747 26.507 1.00 0.00 WT2 H ATOM 30579 H2 TIP3 3763 37.396 38.180 27.637 1.00 0.00 WT2 H ATOM 30580 OH2 TIP3 3764 48.235 41.950 -18.473 1.00 0.00 WT2 O ATOM 30581 H1 TIP3 3764 47.492 41.569 -18.004 1.00 0.00 WT2 H ATOM 30582 H2 TIP3 3764 48.437 42.752 -17.990 1.00 0.00 WT2 H ATOM 30583 OH2 TIP3 3765 69.348 50.225 -12.644 1.00 0.00 WT2 O ATOM 30584 H1 TIP3 3765 69.217 49.277 -12.688 1.00 0.00 WT2 H ATOM 30585 H2 TIP3 3765 68.576 50.553 -12.184 1.00 0.00 WT2 H ATOM 30586 OH2 TIP3 3770 50.341 27.086 -19.881 1.00 0.00 WT2 O ATOM 30587 H1 TIP3 3770 49.574 27.646 -20.003 1.00 0.00 WT2 H ATOM 30588 H2 TIP3 3770 50.637 27.275 -18.991 1.00 0.00 WT2 H ATOM 30589 OH2 TIP3 3776 62.013 56.594 34.972 1.00 0.00 WT2 O ATOM 30590 H1 TIP3 3776 61.069 56.588 34.818 1.00 0.00 WT2 H ATOM 30591 H2 TIP3 3776 62.233 57.519 35.082 1.00 0.00 WT2 H ATOM 30592 OH2 TIP3 3779 31.954 37.705 66.485 1.00 0.00 WT2 O ATOM 30593 H1 TIP3 3779 32.540 38.203 67.054 1.00 0.00 WT2 H ATOM 30594 H2 TIP3 3779 31.814 38.273 65.728 1.00 0.00 WT2 H ATOM 30595 OH2 TIP3 3783 39.032 16.486 21.051 1.00 0.00 WT2 O ATOM 30596 H1 TIP3 3783 39.285 17.033 20.307 1.00 0.00 WT2 H ATOM 30597 H2 TIP3 3783 39.804 16.478 21.617 1.00 0.00 WT2 H ATOM 30598 OH2 TIP3 3784 22.172 51.763 13.667 1.00 0.00 WT2 O ATOM 30599 H1 TIP3 3784 23.060 52.121 13.672 1.00 0.00 WT2 H ATOM 30600 H2 TIP3 3784 21.636 52.456 13.282 1.00 0.00 WT2 H ATOM 30601 OH2 TIP3 3785 83.555 7.331 52.124 1.00 0.00 WT2 O ATOM 30602 H1 TIP3 3785 83.855 8.212 51.899 1.00 0.00 WT2 H ATOM 30603 H2 TIP3 3785 83.742 6.808 51.345 1.00 0.00 WT2 H ATOM 30604 OH2 TIP3 3786 51.765 85.800 -17.269 1.00 0.00 WT2 O ATOM 30605 H1 TIP3 3786 50.918 85.697 -16.837 1.00 0.00 WT2 H ATOM 30606 H2 TIP3 3786 52.234 84.989 -17.074 1.00 0.00 WT2 H ATOM 30607 OH2 TIP3 3798 34.945 39.924 41.209 1.00 0.00 WT2 O ATOM 30608 H1 TIP3 3798 35.725 40.151 41.715 1.00 0.00 WT2 H ATOM 30609 H2 TIP3 3798 35.264 39.812 40.313 1.00 0.00 WT2 H ATOM 30610 OH2 TIP3 3800 43.186 53.217 -1.676 1.00 0.00 WT2 O ATOM 30611 H1 TIP3 3800 42.549 52.505 -1.624 1.00 0.00 WT2 H ATOM 30612 H2 TIP3 3800 43.522 53.304 -0.784 1.00 0.00 WT2 H ATOM 30613 OH2 TIP3 3801 43.513 32.930 45.602 1.00 0.00 WT2 O ATOM 30614 H1 TIP3 3801 43.083 32.771 44.761 1.00 0.00 WT2 H ATOM 30615 H2 TIP3 3801 44.412 33.163 45.370 1.00 0.00 WT2 H ATOM 30616 OH2 TIP3 3802 31.228 29.999 56.110 1.00 0.00 WT2 O ATOM 30617 H1 TIP3 3802 30.338 30.235 55.848 1.00 0.00 WT2 H ATOM 30618 H2 TIP3 3802 31.704 29.904 55.285 1.00 0.00 WT2 H ATOM 30619 OH2 TIP3 3804 54.512 20.911 -10.875 1.00 0.00 WT2 O ATOM 30620 H1 TIP3 3804 54.691 21.572 -10.207 1.00 0.00 WT2 H ATOM 30621 H2 TIP3 3804 53.598 20.665 -10.729 1.00 0.00 WT2 H ATOM 30622 OH2 TIP3 3805 50.265 90.436 61.956 1.00 0.00 WT2 O ATOM 30623 H1 TIP3 3805 51.214 90.350 61.866 1.00 0.00 WT2 H ATOM 30624 H2 TIP3 3805 50.054 91.252 61.503 1.00 0.00 WT2 H ATOM 30625 OH2 TIP3 3806 33.219 88.400 44.326 1.00 0.00 WT2 O ATOM 30626 H1 TIP3 3806 32.596 88.446 45.051 1.00 0.00 WT2 H ATOM 30627 H2 TIP3 3806 32.772 87.878 43.659 1.00 0.00 WT2 H ATOM 30628 OH2 TIP3 3807 81.981 93.079 0.850 1.00 0.00 WT2 O ATOM 30629 H1 TIP3 3807 82.575 92.618 0.257 1.00 0.00 WT2 H ATOM 30630 H2 TIP3 3807 81.208 93.267 0.316 1.00 0.00 WT2 H ATOM 30631 OH2 TIP3 3808 79.153 59.327 -12.384 1.00 0.00 WT2 O ATOM 30632 H1 TIP3 3808 79.049 60.199 -12.765 1.00 0.00 WT2 H ATOM 30633 H2 TIP3 3808 79.572 59.483 -11.538 1.00 0.00 WT2 H ATOM 30634 OH2 TIP3 3809 72.572 75.013 45.246 1.00 0.00 WT2 O ATOM 30635 H1 TIP3 3809 73.028 75.152 44.416 1.00 0.00 WT2 H ATOM 30636 H2 TIP3 3809 71.895 74.367 45.043 1.00 0.00 WT2 H ATOM 30637 OH2 TIP3 3821 39.375 50.211 32.210 1.00 0.00 WT2 O ATOM 30638 H1 TIP3 3821 39.829 51.031 32.403 1.00 0.00 WT2 H ATOM 30639 H2 TIP3 3821 39.757 49.912 31.385 1.00 0.00 WT2 H ATOM 30640 OH2 TIP3 3823 26.120 45.185 32.834 1.00 0.00 WT2 O ATOM 30641 H1 TIP3 3823 26.530 45.735 32.167 1.00 0.00 WT2 H ATOM 30642 H2 TIP3 3823 25.180 45.280 32.680 1.00 0.00 WT2 H ATOM 30643 OH2 TIP3 3826 63.558 24.942 -16.502 1.00 0.00 WT2 O ATOM 30644 H1 TIP3 3826 64.306 25.483 -16.754 1.00 0.00 WT2 H ATOM 30645 H2 TIP3 3826 63.038 24.865 -17.302 1.00 0.00 WT2 H ATOM 30646 OH2 TIP3 3827 71.900 18.234 43.128 1.00 0.00 WT2 O ATOM 30647 H1 TIP3 3827 71.814 17.805 42.276 1.00 0.00 WT2 H ATOM 30648 H2 TIP3 3827 72.242 19.105 42.924 1.00 0.00 WT2 H ATOM 30649 OH2 TIP3 3828 26.086 18.940 39.413 1.00 0.00 WT2 O ATOM 30650 H1 TIP3 3828 25.999 18.328 38.682 1.00 0.00 WT2 H ATOM 30651 H2 TIP3 3828 27.024 19.125 39.461 1.00 0.00 WT2 H ATOM 30652 OH2 TIP3 3829 79.752 25.087 42.867 1.00 0.00 WT2 O ATOM 30653 H1 TIP3 3829 78.804 24.961 42.841 1.00 0.00 WT2 H ATOM 30654 H2 TIP3 3829 80.111 24.201 42.925 1.00 0.00 WT2 H ATOM 30655 OH2 TIP3 3845 30.467 30.878 20.520 1.00 0.00 WT2 O ATOM 30656 H1 TIP3 3845 29.564 30.622 20.711 1.00 0.00 WT2 H ATOM 30657 H2 TIP3 3845 30.998 30.345 21.111 1.00 0.00 WT2 H ATOM 30658 OH2 TIP3 3846 49.659 1.855 8.890 1.00 0.00 WT2 O ATOM 30659 H1 TIP3 3846 48.877 2.405 8.935 1.00 0.00 WT2 H ATOM 30660 H2 TIP3 3846 49.938 1.909 7.976 1.00 0.00 WT2 H ATOM 30661 OH2 TIP3 3847 27.995 41.483 -15.289 1.00 0.00 WT2 O ATOM 30662 H1 TIP3 3847 27.084 41.638 -15.042 1.00 0.00 WT2 H ATOM 30663 H2 TIP3 3847 27.959 41.274 -16.222 1.00 0.00 WT2 H ATOM 30664 OH2 TIP3 3848 78.898 63.945 -11.899 1.00 0.00 WT2 O ATOM 30665 H1 TIP3 3848 79.484 63.190 -11.948 1.00 0.00 WT2 H ATOM 30666 H2 TIP3 3848 78.395 63.808 -11.097 1.00 0.00 WT2 H ATOM 30667 OH2 TIP3 3849 34.423 40.665 13.222 1.00 0.00 WT2 O ATOM 30668 H1 TIP3 3849 34.401 40.736 14.177 1.00 0.00 WT2 H ATOM 30669 H2 TIP3 3849 35.308 40.937 12.981 1.00 0.00 WT2 H ATOM 30670 OH2 TIP3 3853 39.684 59.439 11.030 1.00 0.00 WT2 O ATOM 30671 H1 TIP3 3853 40.524 59.801 10.750 1.00 0.00 WT2 H ATOM 30672 H2 TIP3 3853 39.600 58.620 10.541 1.00 0.00 WT2 H ATOM 30673 OH2 TIP3 3863 38.953 52.889 -10.282 1.00 0.00 WT2 O ATOM 30674 H1 TIP3 3863 38.190 53.110 -9.748 1.00 0.00 WT2 H ATOM 30675 H2 TIP3 3863 39.643 52.699 -9.647 1.00 0.00 WT2 H ATOM 30676 OH2 TIP3 3867 34.564 10.251 -5.822 1.00 0.00 WT2 O ATOM 30677 H1 TIP3 3867 33.801 10.084 -5.268 1.00 0.00 WT2 H ATOM 30678 H2 TIP3 3867 34.231 10.176 -6.717 1.00 0.00 WT2 H ATOM 30679 OH2 TIP3 3868 37.380 17.921 43.708 1.00 0.00 WT2 O ATOM 30680 H1 TIP3 3868 36.757 17.552 43.082 1.00 0.00 WT2 H ATOM 30681 H2 TIP3 3868 37.826 18.615 43.223 1.00 0.00 WT2 H ATOM 30682 OH2 TIP3 3869 65.143 56.115 39.832 1.00 0.00 WT2 O ATOM 30683 H1 TIP3 3869 65.357 57.048 39.839 1.00 0.00 WT2 H ATOM 30684 H2 TIP3 3869 64.877 55.936 38.930 1.00 0.00 WT2 H ATOM 30685 OH2 TIP3 3873 28.648 94.156 23.609 1.00 0.00 WT2 O ATOM 30686 H1 TIP3 3873 28.965 94.704 24.327 1.00 0.00 WT2 H ATOM 30687 H2 TIP3 3873 29.296 94.273 22.914 1.00 0.00 WT2 H ATOM 30688 OH2 TIP3 3875 47.676 77.143 -11.878 1.00 0.00 WT2 O ATOM 30689 H1 TIP3 3875 46.999 76.870 -11.259 1.00 0.00 WT2 H ATOM 30690 H2 TIP3 3875 47.585 76.540 -12.615 1.00 0.00 WT2 H ATOM 30691 OH2 TIP3 3882 35.162 93.293 61.982 1.00 0.00 WT2 O ATOM 30692 H1 TIP3 3882 34.242 93.350 62.239 1.00 0.00 WT2 H ATOM 30693 H2 TIP3 3882 35.644 93.621 62.741 1.00 0.00 WT2 H ATOM 30694 OH2 TIP3 3886 23.035 73.035 47.411 1.00 0.00 WT2 O ATOM 30695 H1 TIP3 3886 22.944 72.467 46.646 1.00 0.00 WT2 H ATOM 30696 H2 TIP3 3886 23.709 73.667 47.163 1.00 0.00 WT2 H ATOM 30697 OH2 TIP3 3888 71.329 69.907 4.309 1.00 0.00 WT2 O ATOM 30698 H1 TIP3 3888 70.740 70.417 3.753 1.00 0.00 WT2 H ATOM 30699 H2 TIP3 3888 70.762 69.259 4.728 1.00 0.00 WT2 H ATOM 30700 OH2 TIP3 3889 59.883 61.086 -18.857 1.00 0.00 WT2 O ATOM 30701 H1 TIP3 3889 60.464 61.818 -19.067 1.00 0.00 WT2 H ATOM 30702 H2 TIP3 3889 59.059 61.501 -18.599 1.00 0.00 WT2 H ATOM 30703 OH2 TIP3 3891 37.894 71.696 53.955 1.00 0.00 WT2 O ATOM 30704 H1 TIP3 3891 37.691 70.838 54.328 1.00 0.00 WT2 H ATOM 30705 H2 TIP3 3891 37.114 72.223 54.129 1.00 0.00 WT2 H ATOM 30706 OH2 TIP3 3892 90.339 28.575 50.578 1.00 0.00 WT2 O ATOM 30707 H1 TIP3 3892 90.098 28.757 49.670 1.00 0.00 WT2 H ATOM 30708 H2 TIP3 3892 90.968 27.856 50.521 1.00 0.00 WT2 H ATOM 30709 OH2 TIP3 3907 82.169 69.716 54.387 1.00 0.00 WT2 O ATOM 30710 H1 TIP3 3907 81.676 70.459 54.734 1.00 0.00 WT2 H ATOM 30711 H2 TIP3 3907 83.078 69.898 54.625 1.00 0.00 WT2 H ATOM 30712 OH2 TIP3 3909 78.782 95.036 -9.323 1.00 0.00 WT2 O ATOM 30713 H1 TIP3 3909 79.549 94.943 -8.757 1.00 0.00 WT2 H ATOM 30714 H2 TIP3 3909 79.090 95.562 -10.061 1.00 0.00 WT2 H ATOM 30715 OH2 TIP3 3911 82.306 56.060 50.975 1.00 0.00 WT2 O ATOM 30716 H1 TIP3 3911 83.014 55.421 51.054 1.00 0.00 WT2 H ATOM 30717 H2 TIP3 3911 82.623 56.830 51.448 1.00 0.00 WT2 H ATOM 30718 OH2 TIP3 3912 78.548 41.544 -1.871 1.00 0.00 WT2 O ATOM 30719 H1 TIP3 3912 77.624 41.479 -2.114 1.00 0.00 WT2 H ATOM 30720 H2 TIP3 3912 78.695 42.480 -1.738 1.00 0.00 WT2 H ATOM 30721 OH2 TIP3 3925 50.385 47.485 -1.910 1.00 0.00 WT2 O ATOM 30722 H1 TIP3 3925 50.666 47.852 -1.072 1.00 0.00 WT2 H ATOM 30723 H2 TIP3 3925 50.286 46.548 -1.740 1.00 0.00 WT2 H ATOM 30724 OH2 TIP3 3928 75.254 36.361 20.901 1.00 0.00 WT2 O ATOM 30725 H1 TIP3 3928 74.857 35.848 20.197 1.00 0.00 WT2 H ATOM 30726 H2 TIP3 3928 75.278 37.256 20.562 1.00 0.00 WT2 H ATOM 30727 OH2 TIP3 3929 47.010 34.169 36.662 1.00 0.00 WT2 O ATOM 30728 H1 TIP3 3929 47.503 34.295 37.473 1.00 0.00 WT2 H ATOM 30729 H2 TIP3 3929 47.174 34.965 36.156 1.00 0.00 WT2 H ATOM 30730 OH2 TIP3 3930 53.529 12.537 22.028 1.00 0.00 WT2 O ATOM 30731 H1 TIP3 3930 53.038 11.905 21.503 1.00 0.00 WT2 H ATOM 30732 H2 TIP3 3930 52.973 12.700 22.790 1.00 0.00 WT2 H ATOM 30733 OH2 TIP3 3931 22.429 24.983 59.291 1.00 0.00 WT2 O ATOM 30734 H1 TIP3 3931 21.906 24.820 60.075 1.00 0.00 WT2 H ATOM 30735 H2 TIP3 3931 21.973 24.509 58.595 1.00 0.00 WT2 H ATOM 30736 OH2 TIP3 3932 57.413 51.491 66.289 1.00 0.00 WT2 O ATOM 30737 H1 TIP3 3932 57.017 52.350 66.435 1.00 0.00 WT2 H ATOM 30738 H2 TIP3 3932 57.453 51.094 67.159 1.00 0.00 WT2 H ATOM 30739 OH2 TIP3 3933 73.432 11.180 -17.341 1.00 0.00 WT2 O ATOM 30740 H1 TIP3 3933 72.481 11.164 -17.447 1.00 0.00 WT2 H ATOM 30741 H2 TIP3 3933 73.578 10.908 -16.435 1.00 0.00 WT2 H ATOM 30742 OH2 TIP3 3934 70.461 74.006 58.433 1.00 0.00 WT2 O ATOM 30743 H1 TIP3 3934 70.629 74.779 57.894 1.00 0.00 WT2 H ATOM 30744 H2 TIP3 3934 69.527 73.830 58.317 1.00 0.00 WT2 H ATOM 30745 OH2 TIP3 3949 31.903 50.507 61.874 1.00 0.00 WT2 O ATOM 30746 H1 TIP3 3949 32.278 50.958 62.631 1.00 0.00 WT2 H ATOM 30747 H2 TIP3 3949 31.001 50.318 62.131 1.00 0.00 WT2 H ATOM 30748 OH2 TIP3 3951 86.218 66.805 -1.394 1.00 0.00 WT2 O ATOM 30749 H1 TIP3 3951 85.419 67.311 -1.248 1.00 0.00 WT2 H ATOM 30750 H2 TIP3 3951 86.340 66.311 -0.583 1.00 0.00 WT2 H ATOM 30751 OH2 TIP3 3955 52.943 58.058 15.175 1.00 0.00 WT2 O ATOM 30752 H1 TIP3 3955 52.661 57.232 15.568 1.00 0.00 WT2 H ATOM 30753 H2 TIP3 3955 52.240 58.674 15.380 1.00 0.00 WT2 H ATOM 30754 OH2 TIP3 3956 59.466 93.196 -4.256 1.00 0.00 WT2 O ATOM 30755 H1 TIP3 3956 59.846 93.983 -3.865 1.00 0.00 WT2 H ATOM 30756 H2 TIP3 3956 58.521 93.337 -4.207 1.00 0.00 WT2 H ATOM 30757 OH2 TIP3 3971 44.111 51.339 -14.780 1.00 0.00 WT2 O ATOM 30758 H1 TIP3 3971 43.296 51.482 -14.298 1.00 0.00 WT2 H ATOM 30759 H2 TIP3 3971 44.670 52.074 -14.528 1.00 0.00 WT2 H ATOM 30760 OH2 TIP3 3972 36.528 13.661 59.525 1.00 0.00 WT2 O ATOM 30761 H1 TIP3 3972 35.868 14.335 59.362 1.00 0.00 WT2 H ATOM 30762 H2 TIP3 3972 36.412 13.034 58.811 1.00 0.00 WT2 H ATOM 30763 OH2 TIP3 3973 72.199 94.817 -9.802 1.00 0.00 WT2 O ATOM 30764 H1 TIP3 3973 71.488 95.293 -10.230 1.00 0.00 WT2 H ATOM 30765 H2 TIP3 3973 71.758 94.174 -9.246 1.00 0.00 WT2 H ATOM 30766 OH2 TIP3 3974 66.360 5.583 -2.078 1.00 0.00 WT2 O ATOM 30767 H1 TIP3 3974 66.011 6.435 -2.340 1.00 0.00 WT2 H ATOM 30768 H2 TIP3 3974 67.063 5.790 -1.463 1.00 0.00 WT2 H ATOM 30769 OH2 TIP3 3975 32.773 38.590 27.807 1.00 0.00 WT2 O ATOM 30770 H1 TIP3 3975 33.149 38.438 26.940 1.00 0.00 WT2 H ATOM 30771 H2 TIP3 3975 32.316 37.775 28.017 1.00 0.00 WT2 H ATOM 30772 OH2 TIP3 3976 61.201 5.020 37.000 1.00 0.00 WT2 O ATOM 30773 H1 TIP3 3976 62.150 4.923 36.920 1.00 0.00 WT2 H ATOM 30774 H2 TIP3 3976 61.082 5.639 37.720 1.00 0.00 WT2 H ATOM 30775 OH2 TIP3 3977 83.042 2.350 -19.758 1.00 0.00 WT2 O ATOM 30776 H1 TIP3 3977 83.629 2.912 -19.253 1.00 0.00 WT2 H ATOM 30777 H2 TIP3 3977 82.467 2.959 -20.222 1.00 0.00 WT2 H ATOM 30778 OH2 TIP3 3978 44.473 81.571 23.649 1.00 0.00 WT2 O ATOM 30779 H1 TIP3 3978 44.256 80.743 24.079 1.00 0.00 WT2 H ATOM 30780 H2 TIP3 3978 45.258 81.376 23.137 1.00 0.00 WT2 H ATOM 30781 OH2 TIP3 3986 72.959 2.812 43.555 1.00 0.00 WT2 O ATOM 30782 H1 TIP3 3986 72.804 2.054 44.119 1.00 0.00 WT2 H ATOM 30783 H2 TIP3 3986 72.092 3.194 43.423 1.00 0.00 WT2 H ATOM 30784 OH2 TIP3 3991 77.739 77.666 9.450 1.00 0.00 WT2 O ATOM 30785 H1 TIP3 3991 78.451 77.323 9.990 1.00 0.00 WT2 H ATOM 30786 H2 TIP3 3991 77.135 78.067 10.076 1.00 0.00 WT2 H ATOM 30787 OH2 TIP3 3992 35.977 70.837 51.202 1.00 0.00 WT2 O ATOM 30788 H1 TIP3 3992 36.516 70.057 51.334 1.00 0.00 WT2 H ATOM 30789 H2 TIP3 3992 35.420 70.620 50.454 1.00 0.00 WT2 H ATOM 30790 OH2 TIP3 3993 44.628 15.196 64.742 1.00 0.00 WT2 O ATOM 30791 H1 TIP3 3993 44.824 14.846 65.612 1.00 0.00 WT2 H ATOM 30792 H2 TIP3 3993 43.680 15.325 64.743 1.00 0.00 WT2 H ATOM 30793 OH2 TIP3 3994 87.506 13.060 -12.800 1.00 0.00 WT2 O ATOM 30794 H1 TIP3 3994 88.322 12.898 -12.327 1.00 0.00 WT2 H ATOM 30795 H2 TIP3 3994 87.277 13.963 -12.580 1.00 0.00 WT2 H ATOM 30796 OH2 TIP3 3995 24.546 18.042 34.605 1.00 0.00 WT2 O ATOM 30797 H1 TIP3 3995 23.798 17.812 34.054 1.00 0.00 WT2 H ATOM 30798 H2 TIP3 3995 24.259 17.840 35.496 1.00 0.00 WT2 H ATOM 30799 OH2 TIP3 3996 37.970 78.248 16.511 1.00 0.00 WT2 O ATOM 30800 H1 TIP3 3996 37.974 78.206 17.467 1.00 0.00 WT2 H ATOM 30801 H2 TIP3 3996 37.233 77.696 16.249 1.00 0.00 WT2 H ATOM 30802 OH2 TIP3 4009 31.456 14.489 32.169 1.00 0.00 WT2 O ATOM 30803 H1 TIP3 4009 32.403 14.468 32.305 1.00 0.00 WT2 H ATOM 30804 H2 TIP3 4009 31.139 15.146 32.788 1.00 0.00 WT2 H ATOM 30805 OH2 TIP3 4010 36.736 37.966 -1.673 1.00 0.00 WT2 O ATOM 30806 H1 TIP3 4010 36.744 37.376 -2.426 1.00 0.00 WT2 H ATOM 30807 H2 TIP3 4010 37.383 38.638 -1.888 1.00 0.00 WT2 H ATOM 30808 OH2 TIP3 4011 41.862 65.062 36.531 1.00 0.00 WT2 O ATOM 30809 H1 TIP3 4011 42.273 64.234 36.778 1.00 0.00 WT2 H ATOM 30810 H2 TIP3 4011 42.594 65.636 36.306 1.00 0.00 WT2 H ATOM 30811 OH2 TIP3 4012 26.214 49.211 1.078 1.00 0.00 WT2 O ATOM 30812 H1 TIP3 4012 26.449 50.122 0.902 1.00 0.00 WT2 H ATOM 30813 H2 TIP3 4012 25.257 49.205 1.075 1.00 0.00 WT2 H ATOM 30814 OH2 TIP3 4014 52.380 7.735 -11.385 1.00 0.00 WT2 O ATOM 30815 H1 TIP3 4014 53.166 8.000 -11.863 1.00 0.00 WT2 H ATOM 30816 H2 TIP3 4014 52.296 6.798 -11.562 1.00 0.00 WT2 H ATOM 30817 OH2 TIP3 4015 74.150 80.136 5.438 1.00 0.00 WT2 O ATOM 30818 H1 TIP3 4015 73.822 81.010 5.648 1.00 0.00 WT2 H ATOM 30819 H2 TIP3 4015 74.859 79.989 6.064 1.00 0.00 WT2 H ATOM 30820 OH2 TIP3 4016 25.616 11.430 7.264 1.00 0.00 WT2 O ATOM 30821 H1 TIP3 4016 25.476 10.784 6.571 1.00 0.00 WT2 H ATOM 30822 H2 TIP3 4016 26.387 11.922 6.983 1.00 0.00 WT2 H ATOM 30823 OH2 TIP3 4017 38.763 49.592 63.057 1.00 0.00 WT2 O ATOM 30824 H1 TIP3 4017 38.017 49.204 62.599 1.00 0.00 WT2 H ATOM 30825 H2 TIP3 4017 39.500 49.019 62.844 1.00 0.00 WT2 H ATOM 30826 OH2 TIP3 4021 80.162 90.096 66.518 1.00 0.00 WT2 O ATOM 30827 H1 TIP3 4021 80.020 90.338 65.603 1.00 0.00 WT2 H ATOM 30828 H2 TIP3 4021 79.335 90.303 66.953 1.00 0.00 WT2 H ATOM 30829 OH2 TIP3 4022 22.982 93.861 -17.290 1.00 0.00 WT2 O ATOM 30830 H1 TIP3 4022 22.351 94.422 -16.840 1.00 0.00 WT2 H ATOM 30831 H2 TIP3 4022 23.443 93.405 -16.586 1.00 0.00 WT2 H ATOM 30832 OH2 TIP3 4030 87.521 87.877 53.334 1.00 0.00 WT2 O ATOM 30833 H1 TIP3 4030 88.319 87.805 53.858 1.00 0.00 WT2 H ATOM 30834 H2 TIP3 4030 87.137 88.714 53.596 1.00 0.00 WT2 H ATOM 30835 OH2 TIP3 4033 61.609 6.434 57.681 1.00 0.00 WT2 O ATOM 30836 H1 TIP3 4033 62.100 6.848 58.391 1.00 0.00 WT2 H ATOM 30837 H2 TIP3 4033 60.701 6.438 57.984 1.00 0.00 WT2 H ATOM 30838 OH2 TIP3 4035 35.119 91.681 16.899 1.00 0.00 WT2 O ATOM 30839 H1 TIP3 4035 35.297 92.082 17.750 1.00 0.00 WT2 H ATOM 30840 H2 TIP3 4035 35.859 91.941 16.351 1.00 0.00 WT2 H ATOM 30841 OH2 TIP3 4036 20.114 85.014 -6.806 1.00 0.00 WT2 O ATOM 30842 H1 TIP3 4036 20.986 84.962 -6.415 1.00 0.00 WT2 H ATOM 30843 H2 TIP3 4036 19.856 84.102 -6.940 1.00 0.00 WT2 H ATOM 30844 OH2 TIP3 4037 30.431 74.553 66.202 1.00 0.00 WT2 O ATOM 30845 H1 TIP3 4037 31.324 74.766 65.933 1.00 0.00 WT2 H ATOM 30846 H2 TIP3 4037 30.539 73.952 66.939 1.00 0.00 WT2 H ATOM 30847 OH2 TIP3 4040 38.723 27.730 65.294 1.00 0.00 WT2 O ATOM 30848 H1 TIP3 4040 38.776 28.227 66.110 1.00 0.00 WT2 H ATOM 30849 H2 TIP3 4040 39.585 27.834 64.893 1.00 0.00 WT2 H ATOM 30850 OH2 TIP3 4053 61.129 0.209 45.316 1.00 0.00 WT2 O ATOM 30851 H1 TIP3 4053 60.579 0.045 46.082 1.00 0.00 WT2 H ATOM 30852 H2 TIP3 4053 62.007 0.338 45.675 1.00 0.00 WT2 H ATOM 30853 OH2 TIP3 4054 73.661 84.038 -10.618 1.00 0.00 WT2 O ATOM 30854 H1 TIP3 4054 73.473 83.157 -10.941 1.00 0.00 WT2 H ATOM 30855 H2 TIP3 4054 73.539 84.604 -11.381 1.00 0.00 WT2 H ATOM 30856 OH2 TIP3 4055 42.071 56.623 5.649 1.00 0.00 WT2 O ATOM 30857 H1 TIP3 4055 41.942 55.737 5.989 1.00 0.00 WT2 H ATOM 30858 H2 TIP3 4055 42.964 56.851 5.907 1.00 0.00 WT2 H ATOM 30859 OH2 TIP3 4056 23.226 91.732 27.726 1.00 0.00 WT2 O ATOM 30860 H1 TIP3 4056 22.358 91.331 27.669 1.00 0.00 WT2 H ATOM 30861 H2 TIP3 4056 23.060 92.673 27.674 1.00 0.00 WT2 H ATOM 30862 OH2 TIP3 4057 77.857 43.078 51.923 1.00 0.00 WT2 O ATOM 30863 H1 TIP3 4057 77.145 43.430 51.388 1.00 0.00 WT2 H ATOM 30864 H2 TIP3 4057 78.490 42.740 51.289 1.00 0.00 WT2 H ATOM 30865 OH2 TIP3 4058 44.019 90.343 40.954 1.00 0.00 WT2 O ATOM 30866 H1 TIP3 4058 43.064 90.390 40.912 1.00 0.00 WT2 H ATOM 30867 H2 TIP3 4058 44.207 90.078 41.854 1.00 0.00 WT2 H ATOM 30868 OH2 TIP3 4059 68.514 28.214 54.478 1.00 0.00 WT2 O ATOM 30869 H1 TIP3 4059 68.290 29.006 54.968 1.00 0.00 WT2 H ATOM 30870 H2 TIP3 4059 68.455 27.509 55.123 1.00 0.00 WT2 H ATOM 30871 OH2 TIP3 4060 74.085 41.175 -1.457 1.00 0.00 WT2 O ATOM 30872 H1 TIP3 4060 73.865 40.290 -1.164 1.00 0.00 WT2 H ATOM 30873 H2 TIP3 4060 74.919 41.075 -1.916 1.00 0.00 WT2 H ATOM 30874 OH2 TIP3 4064 27.676 81.024 23.810 1.00 0.00 WT2 O ATOM 30875 H1 TIP3 4064 27.471 80.538 23.012 1.00 0.00 WT2 H ATOM 30876 H2 TIP3 4064 26.865 81.484 24.026 1.00 0.00 WT2 H ATOM 30877 OH2 TIP3 4072 46.377 60.147 58.070 1.00 0.00 WT2 O ATOM 30878 H1 TIP3 4072 46.659 61.035 58.288 1.00 0.00 WT2 H ATOM 30879 H2 TIP3 4072 45.437 60.225 57.912 1.00 0.00 WT2 H ATOM 30880 OH2 TIP3 4074 60.316 89.797 52.617 1.00 0.00 WT2 O ATOM 30881 H1 TIP3 4074 60.380 89.003 53.147 1.00 0.00 WT2 H ATOM 30882 H2 TIP3 4074 61.211 90.136 52.584 1.00 0.00 WT2 H ATOM 30883 OH2 TIP3 4076 61.260 41.688 -11.955 1.00 0.00 WT2 O ATOM 30884 H1 TIP3 4076 60.443 41.515 -12.424 1.00 0.00 WT2 H ATOM 30885 H2 TIP3 4076 61.049 41.523 -11.036 1.00 0.00 WT2 H ATOM 30886 OH2 TIP3 4077 79.436 28.783 52.685 1.00 0.00 WT2 O ATOM 30887 H1 TIP3 4077 80.054 28.172 53.087 1.00 0.00 WT2 H ATOM 30888 H2 TIP3 4077 79.900 29.620 52.673 1.00 0.00 WT2 H ATOM 30889 OH2 TIP3 4078 55.272 0.800 -19.459 1.00 0.00 WT2 O ATOM 30890 H1 TIP3 4078 54.630 1.425 -19.123 1.00 0.00 WT2 H ATOM 30891 H2 TIP3 4078 56.115 1.131 -19.150 1.00 0.00 WT2 H ATOM 30892 OH2 TIP3 4083 38.268 28.200 16.740 1.00 0.00 WT2 O ATOM 30893 H1 TIP3 4083 38.977 27.688 16.351 1.00 0.00 WT2 H ATOM 30894 H2 TIP3 4083 38.644 28.558 17.545 1.00 0.00 WT2 H ATOM 30895 OH2 TIP3 4093 86.978 60.772 41.148 1.00 0.00 WT2 O ATOM 30896 H1 TIP3 4093 87.676 61.195 40.648 1.00 0.00 WT2 H ATOM 30897 H2 TIP3 4093 86.186 60.927 40.634 1.00 0.00 WT2 H ATOM 30898 OH2 TIP3 4097 28.241 77.141 17.497 1.00 0.00 WT2 O ATOM 30899 H1 TIP3 4097 27.874 76.435 16.965 1.00 0.00 WT2 H ATOM 30900 H2 TIP3 4097 29.145 76.872 17.660 1.00 0.00 WT2 H ATOM 30901 OH2 TIP3 4098 23.297 46.205 47.317 1.00 0.00 WT2 O ATOM 30902 H1 TIP3 4098 23.098 45.355 47.709 1.00 0.00 WT2 H ATOM 30903 H2 TIP3 4098 24.045 46.036 46.744 1.00 0.00 WT2 H ATOM 30904 OH2 TIP3 4099 30.389 29.297 -12.659 1.00 0.00 WT2 O ATOM 30905 H1 TIP3 4099 30.594 28.646 -13.330 1.00 0.00 WT2 H ATOM 30906 H2 TIP3 4099 30.913 30.061 -12.899 1.00 0.00 WT2 H ATOM 30907 OH2 TIP3 4100 23.146 83.477 31.919 1.00 0.00 WT2 O ATOM 30908 H1 TIP3 4100 22.503 83.948 32.449 1.00 0.00 WT2 H ATOM 30909 H2 TIP3 4100 22.621 82.941 31.324 1.00 0.00 WT2 H ATOM 30910 OH2 TIP3 4101 73.540 90.799 -10.708 1.00 0.00 WT2 O ATOM 30911 H1 TIP3 4101 73.697 91.056 -9.799 1.00 0.00 WT2 H ATOM 30912 H2 TIP3 4101 73.525 89.843 -10.688 1.00 0.00 WT2 H ATOM 30913 OH2 TIP3 4104 58.459 43.242 3.749 1.00 0.00 WT2 O ATOM 30914 H1 TIP3 4104 58.242 42.454 4.248 1.00 0.00 WT2 H ATOM 30915 H2 TIP3 4104 57.769 43.866 3.973 1.00 0.00 WT2 H ATOM 30916 OH2 TIP3 4116 55.543 68.457 7.513 1.00 0.00 WT2 O ATOM 30917 H1 TIP3 4116 55.246 68.777 8.365 1.00 0.00 WT2 H ATOM 30918 H2 TIP3 4116 55.825 67.558 7.679 1.00 0.00 WT2 H ATOM 30919 OH2 TIP3 4119 21.563 48.232 -12.059 1.00 0.00 WT2 O ATOM 30920 H1 TIP3 4119 21.064 47.445 -12.279 1.00 0.00 WT2 H ATOM 30921 H2 TIP3 4119 20.927 48.945 -12.120 1.00 0.00 WT2 H ATOM 30922 OH2 TIP3 4120 56.144 28.724 -14.823 1.00 0.00 WT2 O ATOM 30923 H1 TIP3 4120 55.958 27.872 -14.429 1.00 0.00 WT2 H ATOM 30924 H2 TIP3 4120 55.288 29.054 -15.098 1.00 0.00 WT2 H ATOM 30925 OH2 TIP3 4121 28.262 41.048 53.953 1.00 0.00 WT2 O ATOM 30926 H1 TIP3 4121 28.643 40.388 53.373 1.00 0.00 WT2 H ATOM 30927 H2 TIP3 4121 28.558 40.797 54.828 1.00 0.00 WT2 H ATOM 30928 OH2 TIP3 4123 40.907 15.918 4.806 1.00 0.00 WT2 O ATOM 30929 H1 TIP3 4123 41.227 16.279 3.979 1.00 0.00 WT2 H ATOM 30930 H2 TIP3 4123 40.117 16.424 4.999 1.00 0.00 WT2 H ATOM 30931 OH2 TIP3 4138 21.360 56.086 60.693 1.00 0.00 WT2 O ATOM 30932 H1 TIP3 4138 22.257 55.788 60.844 1.00 0.00 WT2 H ATOM 30933 H2 TIP3 4138 21.006 56.235 61.570 1.00 0.00 WT2 H ATOM 30934 OH2 TIP3 4139 85.222 42.167 25.439 1.00 0.00 WT2 O ATOM 30935 H1 TIP3 4139 85.339 42.383 24.514 1.00 0.00 WT2 H ATOM 30936 H2 TIP3 4139 84.745 42.914 25.801 1.00 0.00 WT2 H ATOM 30937 OH2 TIP3 4140 53.129 3.217 22.305 1.00 0.00 WT2 O ATOM 30938 H1 TIP3 4140 53.929 2.755 22.054 1.00 0.00 WT2 H ATOM 30939 H2 TIP3 4140 53.386 4.139 22.339 1.00 0.00 WT2 H ATOM 30940 OH2 TIP3 4141 84.269 59.948 50.888 1.00 0.00 WT2 O ATOM 30941 H1 TIP3 4141 83.850 59.805 51.736 1.00 0.00 WT2 H ATOM 30942 H2 TIP3 4141 84.664 60.817 50.958 1.00 0.00 WT2 H ATOM 30943 OH2 TIP3 4142 43.953 41.572 32.533 1.00 0.00 WT2 O ATOM 30944 H1 TIP3 4142 43.442 42.301 32.179 1.00 0.00 WT2 H ATOM 30945 H2 TIP3 4142 44.641 41.425 31.884 1.00 0.00 WT2 H ATOM 30946 OH2 TIP3 4143 80.604 17.301 -11.711 1.00 0.00 WT2 O ATOM 30947 H1 TIP3 4143 80.250 17.516 -10.848 1.00 0.00 WT2 H ATOM 30948 H2 TIP3 4143 79.887 17.486 -12.317 1.00 0.00 WT2 H ATOM 30949 OH2 TIP3 4157 30.833 40.682 -17.916 1.00 0.00 WT2 O ATOM 30950 H1 TIP3 4157 31.501 40.434 -18.555 1.00 0.00 WT2 H ATOM 30951 H2 TIP3 4157 31.327 41.033 -17.175 1.00 0.00 WT2 H ATOM 30952 OH2 TIP3 4158 21.657 76.089 14.728 1.00 0.00 WT2 O ATOM 30953 H1 TIP3 4158 21.619 76.895 15.242 1.00 0.00 WT2 H ATOM 30954 H2 TIP3 4158 22.491 75.688 14.973 1.00 0.00 WT2 H ATOM 30955 OH2 TIP3 4159 46.934 17.316 -1.390 1.00 0.00 WT2 O ATOM 30956 H1 TIP3 4159 46.840 16.363 -1.384 1.00 0.00 WT2 H ATOM 30957 H2 TIP3 4159 47.844 17.465 -1.646 1.00 0.00 WT2 H ATOM 30958 OH2 TIP3 4161 30.701 53.322 16.677 1.00 0.00 WT2 O ATOM 30959 H1 TIP3 4161 30.397 54.124 16.253 1.00 0.00 WT2 H ATOM 30960 H2 TIP3 4161 31.012 53.607 17.536 1.00 0.00 WT2 H ATOM 30961 OH2 TIP3 4165 38.278 85.617 -17.540 1.00 0.00 WT2 O ATOM 30962 H1 TIP3 4165 38.255 86.066 -16.695 1.00 0.00 WT2 H ATOM 30963 H2 TIP3 4165 38.066 84.707 -17.335 1.00 0.00 WT2 H ATOM 30964 OH2 TIP3 4179 53.865 1.318 37.429 1.00 0.00 WT2 O ATOM 30965 H1 TIP3 4179 53.892 1.189 36.481 1.00 0.00 WT2 H ATOM 30966 H2 TIP3 4179 54.694 0.958 37.744 1.00 0.00 WT2 H ATOM 30967 OH2 TIP3 4181 78.108 31.667 58.437 1.00 0.00 WT2 O ATOM 30968 H1 TIP3 4181 77.276 31.919 58.838 1.00 0.00 WT2 H ATOM 30969 H2 TIP3 4181 78.254 32.322 57.755 1.00 0.00 WT2 H ATOM 30970 OH2 TIP3 4182 78.667 28.857 40.982 1.00 0.00 WT2 O ATOM 30971 H1 TIP3 4182 78.757 27.931 40.756 1.00 0.00 WT2 H ATOM 30972 H2 TIP3 4182 78.510 29.294 40.146 1.00 0.00 WT2 H ATOM 30973 OH2 TIP3 4183 46.803 65.747 4.520 1.00 0.00 WT2 O ATOM 30974 H1 TIP3 4183 47.531 65.915 5.119 1.00 0.00 WT2 H ATOM 30975 H2 TIP3 4183 46.371 64.973 4.880 1.00 0.00 WT2 H ATOM 30976 OH2 TIP3 4184 28.438 2.830 41.348 1.00 0.00 WT2 O ATOM 30977 H1 TIP3 4184 29.075 3.333 41.855 1.00 0.00 WT2 H ATOM 30978 H2 TIP3 4184 27.916 2.370 42.006 1.00 0.00 WT2 H ATOM 30979 OH2 TIP3 4186 35.252 10.712 23.662 1.00 0.00 WT2 O ATOM 30980 H1 TIP3 4186 35.383 11.570 24.066 1.00 0.00 WT2 H ATOM 30981 H2 TIP3 4186 35.587 10.089 24.308 1.00 0.00 WT2 H ATOM 30982 OH2 TIP3 4187 40.379 20.223 9.753 1.00 0.00 WT2 O ATOM 30983 H1 TIP3 4187 40.670 19.590 10.409 1.00 0.00 WT2 H ATOM 30984 H2 TIP3 4187 39.938 20.906 10.257 1.00 0.00 WT2 H ATOM 30985 OH2 TIP3 4198 64.765 29.270 4.941 1.00 0.00 WT2 O ATOM 30986 H1 TIP3 4198 65.416 29.120 5.627 1.00 0.00 WT2 H ATOM 30987 H2 TIP3 4198 63.923 29.215 5.392 1.00 0.00 WT2 H ATOM 30988 OH2 TIP3 4200 73.464 47.347 -13.451 1.00 0.00 WT2 O ATOM 30989 H1 TIP3 4200 72.518 47.469 -13.379 1.00 0.00 WT2 H ATOM 30990 H2 TIP3 4200 73.820 47.770 -12.669 1.00 0.00 WT2 H ATOM 30991 OH2 TIP3 4201 39.764 24.691 -4.262 1.00 0.00 WT2 O ATOM 30992 H1 TIP3 4201 39.824 24.568 -3.315 1.00 0.00 WT2 H ATOM 30993 H2 TIP3 4201 40.628 25.013 -4.517 1.00 0.00 WT2 H ATOM 30994 OH2 TIP3 4202 64.565 74.501 59.323 1.00 0.00 WT2 O ATOM 30995 H1 TIP3 4202 63.976 74.180 58.641 1.00 0.00 WT2 H ATOM 30996 H2 TIP3 4202 64.895 75.333 58.982 1.00 0.00 WT2 H ATOM 30997 OH2 TIP3 4205 21.765 46.095 2.563 1.00 0.00 WT2 O ATOM 30998 H1 TIP3 4205 21.327 46.674 3.187 1.00 0.00 WT2 H ATOM 30999 H2 TIP3 4205 21.646 45.217 2.927 1.00 0.00 WT2 H ATOM 31000 OH2 TIP3 4206 55.923 67.805 25.761 1.00 0.00 WT2 O ATOM 31001 H1 TIP3 4206 55.376 67.207 25.251 1.00 0.00 WT2 H ATOM 31002 H2 TIP3 4206 56.026 67.372 26.609 1.00 0.00 WT2 H ATOM 31003 OH2 TIP3 4207 52.875 25.509 -5.133 1.00 0.00 WT2 O ATOM 31004 H1 TIP3 4207 53.747 25.145 -5.286 1.00 0.00 WT2 H ATOM 31005 H2 TIP3 4207 53.029 26.442 -4.981 1.00 0.00 WT2 H ATOM 31006 OH2 TIP3 4218 72.751 22.755 40.871 1.00 0.00 WT2 O ATOM 31007 H1 TIP3 4218 72.979 22.021 41.442 1.00 0.00 WT2 H ATOM 31008 H2 TIP3 4218 73.313 22.644 40.103 1.00 0.00 WT2 H ATOM 31009 OH2 TIP3 4219 41.790 52.614 -14.496 1.00 0.00 WT2 O ATOM 31010 H1 TIP3 4219 41.720 53.305 -13.838 1.00 0.00 WT2 H ATOM 31011 H2 TIP3 4219 41.876 53.081 -15.327 1.00 0.00 WT2 H ATOM 31012 OH2 TIP3 4224 36.740 28.862 23.842 1.00 0.00 WT2 O ATOM 31013 H1 TIP3 4224 37.496 29.445 23.775 1.00 0.00 WT2 H ATOM 31014 H2 TIP3 4224 35.985 29.431 23.688 1.00 0.00 WT2 H ATOM 31015 OH2 TIP3 4225 27.435 36.020 50.585 1.00 0.00 WT2 O ATOM 31016 H1 TIP3 4225 27.396 36.057 49.629 1.00 0.00 WT2 H ATOM 31017 H2 TIP3 4225 28.352 36.198 50.795 1.00 0.00 WT2 H ATOM 31018 OH2 TIP3 4226 34.407 41.820 66.876 1.00 0.00 WT2 O ATOM 31019 H1 TIP3 4226 33.988 42.076 67.698 1.00 0.00 WT2 H ATOM 31020 H2 TIP3 4226 35.334 42.019 67.008 1.00 0.00 WT2 H ATOM 31021 OH2 TIP3 4227 45.069 29.490 -1.546 1.00 0.00 WT2 O ATOM 31022 H1 TIP3 4227 45.314 30.217 -0.974 1.00 0.00 WT2 H ATOM 31023 H2 TIP3 4227 45.904 29.119 -1.833 1.00 0.00 WT2 H ATOM 31024 OH2 TIP3 4229 71.001 73.748 -8.072 1.00 0.00 WT2 O ATOM 31025 H1 TIP3 4229 70.516 73.234 -7.426 1.00 0.00 WT2 H ATOM 31026 H2 TIP3 4229 70.496 73.658 -8.880 1.00 0.00 WT2 H ATOM 31027 OH2 TIP3 4243 39.853 16.141 -5.827 1.00 0.00 WT2 O ATOM 31028 H1 TIP3 4243 39.373 15.330 -5.997 1.00 0.00 WT2 H ATOM 31029 H2 TIP3 4243 39.226 16.837 -6.023 1.00 0.00 WT2 H ATOM 31030 OH2 TIP3 4245 58.517 45.173 62.511 1.00 0.00 WT2 O ATOM 31031 H1 TIP3 4245 57.883 44.980 63.202 1.00 0.00 WT2 H ATOM 31032 H2 TIP3 4245 58.642 44.338 62.060 1.00 0.00 WT2 H ATOM 31033 OH2 TIP3 4246 49.295 58.615 -6.578 1.00 0.00 WT2 O ATOM 31034 H1 TIP3 4246 49.625 58.918 -5.732 1.00 0.00 WT2 H ATOM 31035 H2 TIP3 4246 49.037 57.707 -6.423 1.00 0.00 WT2 H ATOM 31036 OH2 TIP3 4247 68.134 46.196 64.031 1.00 0.00 WT2 O ATOM 31037 H1 TIP3 4247 68.745 46.745 63.539 1.00 0.00 WT2 H ATOM 31038 H2 TIP3 4247 68.111 46.586 64.905 1.00 0.00 WT2 H ATOM 31039 OH2 TIP3 4248 41.304 18.218 56.210 1.00 0.00 WT2 O ATOM 31040 H1 TIP3 4248 40.894 18.525 55.401 1.00 0.00 WT2 H ATOM 31041 H2 TIP3 4248 41.996 18.856 56.386 1.00 0.00 WT2 H ATOM 31042 OH2 TIP3 4251 45.147 7.266 -10.679 1.00 0.00 WT2 O ATOM 31043 H1 TIP3 4251 45.472 7.619 -9.850 1.00 0.00 WT2 H ATOM 31044 H2 TIP3 4251 44.929 6.355 -10.481 1.00 0.00 WT2 H ATOM 31045 OH2 TIP3 4262 47.780 49.946 44.332 1.00 0.00 WT2 O ATOM 31046 H1 TIP3 4262 48.544 50.218 44.841 1.00 0.00 WT2 H ATOM 31047 H2 TIP3 4262 48.011 50.148 43.426 1.00 0.00 WT2 H ATOM 31048 OH2 TIP3 4264 61.504 58.470 56.098 1.00 0.00 WT2 O ATOM 31049 H1 TIP3 4264 62.261 58.518 55.515 1.00 0.00 WT2 H ATOM 31050 H2 TIP3 4264 61.268 57.542 56.108 1.00 0.00 WT2 H ATOM 31051 OH2 TIP3 4266 67.560 35.332 1.934 1.00 0.00 WT2 O ATOM 31052 H1 TIP3 4266 67.591 36.277 1.785 1.00 0.00 WT2 H ATOM 31053 H2 TIP3 4266 68.464 35.091 2.137 1.00 0.00 WT2 H ATOM 31054 OH2 TIP3 4267 38.633 19.807 42.051 1.00 0.00 WT2 O ATOM 31055 H1 TIP3 4267 39.300 20.207 42.609 1.00 0.00 WT2 H ATOM 31056 H2 TIP3 4267 39.028 19.792 41.179 1.00 0.00 WT2 H ATOM 31057 OH2 TIP3 4268 36.498 64.405 -1.973 1.00 0.00 WT2 O ATOM 31058 H1 TIP3 4268 36.528 65.183 -2.529 1.00 0.00 WT2 H ATOM 31059 H2 TIP3 4268 36.379 64.748 -1.087 1.00 0.00 WT2 H ATOM 31060 OH2 TIP3 4269 81.784 79.120 56.252 1.00 0.00 WT2 O ATOM 31061 H1 TIP3 4269 81.037 79.626 56.572 1.00 0.00 WT2 H ATOM 31062 H2 TIP3 4269 82.420 79.780 55.976 1.00 0.00 WT2 H ATOM 31063 OH2 TIP3 4282 34.103 28.021 53.396 1.00 0.00 WT2 O ATOM 31064 H1 TIP3 4282 33.409 27.493 53.001 1.00 0.00 WT2 H ATOM 31065 H2 TIP3 4282 34.145 27.722 54.304 1.00 0.00 WT2 H ATOM 31066 OH2 TIP3 4283 28.184 41.140 -18.137 1.00 0.00 WT2 O ATOM 31067 H1 TIP3 4283 27.979 41.060 -19.069 1.00 0.00 WT2 H ATOM 31068 H2 TIP3 4283 29.137 41.063 -18.093 1.00 0.00 WT2 H ATOM 31069 OH2 TIP3 4287 23.687 21.097 -11.434 1.00 0.00 WT2 O ATOM 31070 H1 TIP3 4287 24.317 20.863 -10.752 1.00 0.00 WT2 H ATOM 31071 H2 TIP3 4287 22.834 21.035 -11.004 1.00 0.00 WT2 H ATOM 31072 OH2 TIP3 4288 36.478 34.069 26.998 1.00 0.00 WT2 O ATOM 31073 H1 TIP3 4288 37.267 34.553 26.752 1.00 0.00 WT2 H ATOM 31074 H2 TIP3 4288 36.597 33.876 27.928 1.00 0.00 WT2 H ATOM 31075 OH2 TIP3 4289 83.435 6.485 45.877 1.00 0.00 WT2 O ATOM 31076 H1 TIP3 4289 82.961 6.251 46.676 1.00 0.00 WT2 H ATOM 31077 H2 TIP3 4289 84.186 5.892 45.861 1.00 0.00 WT2 H ATOM 31078 OH2 TIP3 4290 36.606 96.728 38.676 1.00 0.00 WT2 O ATOM 31079 H1 TIP3 4290 35.923 96.067 38.570 1.00 0.00 WT2 H ATOM 31080 H2 TIP3 4290 37.349 96.388 38.178 1.00 0.00 WT2 H ATOM 31081 OH2 TIP3 4293 71.141 14.180 0.977 1.00 0.00 WT2 O ATOM 31082 H1 TIP3 4293 70.762 13.301 0.959 1.00 0.00 WT2 H ATOM 31083 H2 TIP3 4293 70.405 14.763 0.794 1.00 0.00 WT2 H ATOM 31084 OH2 TIP3 4297 24.400 24.650 13.749 1.00 0.00 WT2 O ATOM 31085 H1 TIP3 4297 25.278 24.273 13.801 1.00 0.00 WT2 H ATOM 31086 H2 TIP3 4297 24.093 24.671 14.655 1.00 0.00 WT2 H ATOM 31087 OH2 TIP3 4304 60.989 3.492 62.863 1.00 0.00 WT2 O ATOM 31088 H1 TIP3 4304 60.854 2.942 62.091 1.00 0.00 WT2 H ATOM 31089 H2 TIP3 4304 61.538 2.963 63.441 1.00 0.00 WT2 H ATOM 31090 OH2 TIP3 4306 28.495 39.844 33.999 1.00 0.00 WT2 O ATOM 31091 H1 TIP3 4306 29.394 39.713 34.300 1.00 0.00 WT2 H ATOM 31092 H2 TIP3 4306 28.527 40.654 33.489 1.00 0.00 WT2 H ATOM 31093 OH2 TIP3 4307 65.591 5.055 -5.460 1.00 0.00 WT2 O ATOM 31094 H1 TIP3 4307 65.135 5.395 -4.690 1.00 0.00 WT2 H ATOM 31095 H2 TIP3 4307 65.195 5.519 -6.198 1.00 0.00 WT2 H ATOM 31096 OH2 TIP3 4311 45.390 13.718 -5.885 1.00 0.00 WT2 O ATOM 31097 H1 TIP3 4311 46.342 13.796 -5.938 1.00 0.00 WT2 H ATOM 31098 H2 TIP3 4311 45.069 14.163 -6.670 1.00 0.00 WT2 H ATOM 31099 OH2 TIP3 4313 34.106 89.379 61.447 1.00 0.00 WT2 O ATOM 31100 H1 TIP3 4313 34.767 89.545 60.775 1.00 0.00 WT2 H ATOM 31101 H2 TIP3 4313 33.274 89.592 61.024 1.00 0.00 WT2 H ATOM 31102 OH2 TIP3 4321 52.978 29.880 52.116 1.00 0.00 WT2 O ATOM 31103 H1 TIP3 4321 52.263 29.645 51.524 1.00 0.00 WT2 H ATOM 31104 H2 TIP3 4321 53.653 30.246 51.544 1.00 0.00 WT2 H ATOM 31105 OH2 TIP3 4328 88.944 26.932 37.723 1.00 0.00 WT2 O ATOM 31106 H1 TIP3 4328 88.729 27.132 38.634 1.00 0.00 WT2 H ATOM 31107 H2 TIP3 4328 88.114 27.024 37.255 1.00 0.00 WT2 H ATOM 31108 OH2 TIP3 4329 29.367 70.998 66.825 1.00 0.00 WT2 O ATOM 31109 H1 TIP3 4329 29.732 71.132 65.950 1.00 0.00 WT2 H ATOM 31110 H2 TIP3 4329 28.757 71.726 66.945 1.00 0.00 WT2 H ATOM 31111 OH2 TIP3 4330 34.124 48.416 57.613 1.00 0.00 WT2 O ATOM 31112 H1 TIP3 4330 33.466 47.970 58.146 1.00 0.00 WT2 H ATOM 31113 H2 TIP3 4330 34.920 47.897 57.731 1.00 0.00 WT2 H ATOM 31114 OH2 TIP3 4332 74.157 48.436 6.258 1.00 0.00 WT2 O ATOM 31115 H1 TIP3 4332 73.520 48.050 6.859 1.00 0.00 WT2 H ATOM 31116 H2 TIP3 4332 74.934 48.588 6.795 1.00 0.00 WT2 H ATOM 31117 OH2 TIP3 4337 22.136 47.246 34.102 1.00 0.00 WT2 O ATOM 31118 H1 TIP3 4337 21.364 47.788 33.945 1.00 0.00 WT2 H ATOM 31119 H2 TIP3 4337 22.829 47.658 33.585 1.00 0.00 WT2 H ATOM 31120 OH2 TIP3 4349 63.252 80.891 -11.099 1.00 0.00 WT2 O ATOM 31121 H1 TIP3 4349 63.762 80.084 -11.030 1.00 0.00 WT2 H ATOM 31122 H2 TIP3 4349 63.860 81.582 -10.835 1.00 0.00 WT2 H ATOM 31123 OH2 TIP3 4350 22.375 53.928 9.423 1.00 0.00 WT2 O ATOM 31124 H1 TIP3 4350 21.753 54.615 9.665 1.00 0.00 WT2 H ATOM 31125 H2 TIP3 4350 23.097 54.395 9.003 1.00 0.00 WT2 H ATOM 31126 OH2 TIP3 4351 42.022 40.373 28.095 1.00 0.00 WT2 O ATOM 31127 H1 TIP3 4351 42.057 40.496 27.147 1.00 0.00 WT2 H ATOM 31128 H2 TIP3 4351 42.787 39.833 28.296 1.00 0.00 WT2 H ATOM 31129 OH2 TIP3 4352 24.619 15.037 -8.074 1.00 0.00 WT2 O ATOM 31130 H1 TIP3 4352 25.107 15.756 -8.476 1.00 0.00 WT2 H ATOM 31131 H2 TIP3 4352 25.291 14.407 -7.814 1.00 0.00 WT2 H ATOM 31132 OH2 TIP3 4353 27.248 14.168 34.558 1.00 0.00 WT2 O ATOM 31133 H1 TIP3 4353 26.455 14.070 34.031 1.00 0.00 WT2 H ATOM 31134 H2 TIP3 4353 27.608 15.015 34.295 1.00 0.00 WT2 H ATOM 31135 OH2 TIP3 4356 57.217 23.039 7.842 1.00 0.00 WT2 O ATOM 31136 H1 TIP3 4356 57.620 23.718 8.382 1.00 0.00 WT2 H ATOM 31137 H2 TIP3 4356 56.545 22.653 8.403 1.00 0.00 WT2 H ATOM 31138 OH2 TIP3 4357 69.185 20.536 60.646 1.00 0.00 WT2 O ATOM 31139 H1 TIP3 4357 69.301 19.660 60.278 1.00 0.00 WT2 H ATOM 31140 H2 TIP3 4357 68.298 20.789 60.387 1.00 0.00 WT2 H ATOM 31141 OH2 TIP3 4363 77.474 56.434 21.973 1.00 0.00 WT2 O ATOM 31142 H1 TIP3 4363 78.228 55.952 22.314 1.00 0.00 WT2 H ATOM 31143 H2 TIP3 4363 76.765 55.790 21.958 1.00 0.00 WT2 H ATOM 31144 OH2 TIP3 4373 23.279 86.130 -9.787 1.00 0.00 WT2 O ATOM 31145 H1 TIP3 4373 22.448 86.549 -10.010 1.00 0.00 WT2 H ATOM 31146 H2 TIP3 4373 23.870 86.377 -10.498 1.00 0.00 WT2 H ATOM 31147 OH2 TIP3 4374 70.710 10.674 -17.460 1.00 0.00 WT2 O ATOM 31148 H1 TIP3 4374 70.158 10.560 -18.234 1.00 0.00 WT2 H ATOM 31149 H2 TIP3 4374 70.363 10.049 -16.824 1.00 0.00 WT2 H ATOM 31150 OH2 TIP3 4387 65.324 86.905 52.561 1.00 0.00 WT2 O ATOM 31151 H1 TIP3 4387 65.969 86.237 52.795 1.00 0.00 WT2 H ATOM 31152 H2 TIP3 4387 64.996 86.632 51.704 1.00 0.00 WT2 H ATOM 31153 OH2 TIP3 4391 72.392 60.936 -7.409 1.00 0.00 WT2 O ATOM 31154 H1 TIP3 4391 71.488 61.057 -7.701 1.00 0.00 WT2 H ATOM 31155 H2 TIP3 4391 72.331 60.878 -6.456 1.00 0.00 WT2 H ATOM 31156 OH2 TIP3 4392 68.749 40.742 21.362 1.00 0.00 WT2 O ATOM 31157 H1 TIP3 4392 68.709 41.583 20.906 1.00 0.00 WT2 H ATOM 31158 H2 TIP3 4392 69.026 40.118 20.691 1.00 0.00 WT2 H ATOM 31159 OH2 TIP3 4393 65.478 51.597 32.273 1.00 0.00 WT2 O ATOM 31160 H1 TIP3 4393 64.566 51.576 32.563 1.00 0.00 WT2 H ATOM 31161 H2 TIP3 4393 65.431 51.848 31.350 1.00 0.00 WT2 H ATOM 31162 OH2 TIP3 4394 36.120 80.498 2.407 1.00 0.00 WT2 O ATOM 31163 H1 TIP3 4394 36.927 79.993 2.503 1.00 0.00 WT2 H ATOM 31164 H2 TIP3 4394 36.136 80.805 1.500 1.00 0.00 WT2 H ATOM 31165 OH2 TIP3 4395 45.887 52.937 36.924 1.00 0.00 WT2 O ATOM 31166 H1 TIP3 4395 46.656 52.412 36.703 1.00 0.00 WT2 H ATOM 31167 H2 TIP3 4395 45.620 52.621 37.787 1.00 0.00 WT2 H ATOM 31168 OH2 TIP3 4399 59.587 30.682 33.290 1.00 0.00 WT2 O ATOM 31169 H1 TIP3 4399 58.819 31.205 33.520 1.00 0.00 WT2 H ATOM 31170 H2 TIP3 4399 60.257 31.327 33.064 1.00 0.00 WT2 H ATOM 31171 OH2 TIP3 4411 59.516 79.334 20.543 1.00 0.00 WT2 O ATOM 31172 H1 TIP3 4411 59.584 78.853 19.718 1.00 0.00 WT2 H ATOM 31173 H2 TIP3 4411 59.068 80.148 20.311 1.00 0.00 WT2 H ATOM 31174 OH2 TIP3 4414 54.069 76.231 64.895 1.00 0.00 WT2 O ATOM 31175 H1 TIP3 4414 53.470 76.622 65.531 1.00 0.00 WT2 H ATOM 31176 H2 TIP3 4414 54.942 76.439 65.229 1.00 0.00 WT2 H ATOM 31177 OH2 TIP3 4417 59.069 86.296 -15.635 1.00 0.00 WT2 O ATOM 31178 H1 TIP3 4417 59.060 85.820 -16.466 1.00 0.00 WT2 H ATOM 31179 H2 TIP3 4417 59.469 85.687 -15.014 1.00 0.00 WT2 H ATOM 31180 OH2 TIP3 4419 25.492 17.223 63.639 1.00 0.00 WT2 O ATOM 31181 H1 TIP3 4419 24.758 17.258 64.252 1.00 0.00 WT2 H ATOM 31182 H2 TIP3 4419 26.261 17.085 64.192 1.00 0.00 WT2 H ATOM 31183 OH2 TIP3 4432 64.752 37.169 -18.050 1.00 0.00 WT2 O ATOM 31184 H1 TIP3 4432 64.140 37.383 -17.346 1.00 0.00 WT2 H ATOM 31185 H2 TIP3 4432 64.323 37.486 -18.845 1.00 0.00 WT2 H ATOM 31186 OH2 TIP3 4434 59.256 58.511 62.687 1.00 0.00 WT2 O ATOM 31187 H1 TIP3 4434 58.640 58.469 63.419 1.00 0.00 WT2 H ATOM 31188 H2 TIP3 4434 58.732 58.825 61.950 1.00 0.00 WT2 H ATOM 31189 OH2 TIP3 4435 64.517 63.693 50.531 1.00 0.00 WT2 O ATOM 31190 H1 TIP3 4435 63.565 63.655 50.631 1.00 0.00 WT2 H ATOM 31191 H2 TIP3 4435 64.858 63.350 51.357 1.00 0.00 WT2 H ATOM 31192 OH2 TIP3 4437 73.369 25.026 45.599 1.00 0.00 WT2 O ATOM 31193 H1 TIP3 4437 73.836 24.220 45.379 1.00 0.00 WT2 H ATOM 31194 H2 TIP3 4437 73.642 25.653 44.929 1.00 0.00 WT2 H ATOM 31195 OH2 TIP3 4438 72.098 69.185 -18.052 1.00 0.00 WT2 O ATOM 31196 H1 TIP3 4438 73.055 69.163 -18.058 1.00 0.00 WT2 H ATOM 31197 H2 TIP3 4438 71.869 69.397 -17.147 1.00 0.00 WT2 H ATOM 31198 OH2 TIP3 4453 36.625 95.658 -8.137 1.00 0.00 WT2 O ATOM 31199 H1 TIP3 4453 36.512 96.363 -8.775 1.00 0.00 WT2 H ATOM 31200 H2 TIP3 4453 37.345 95.132 -8.485 1.00 0.00 WT2 H ATOM 31201 OH2 TIP3 4454 24.367 62.024 57.583 1.00 0.00 WT2 O ATOM 31202 H1 TIP3 4454 24.270 62.976 57.603 1.00 0.00 WT2 H ATOM 31203 H2 TIP3 4454 25.119 61.871 57.009 1.00 0.00 WT2 H ATOM 31204 OH2 TIP3 4455 63.577 19.385 11.016 1.00 0.00 WT2 O ATOM 31205 H1 TIP3 4455 62.755 19.303 11.499 1.00 0.00 WT2 H ATOM 31206 H2 TIP3 4455 63.397 20.043 10.345 1.00 0.00 WT2 H ATOM 31207 OH2 TIP3 4457 81.886 32.875 30.867 1.00 0.00 WT2 O ATOM 31208 H1 TIP3 4457 81.460 33.634 31.266 1.00 0.00 WT2 H ATOM 31209 H2 TIP3 4457 82.687 33.226 30.479 1.00 0.00 WT2 H ATOM 31210 OH2 TIP3 4461 32.639 30.653 45.360 1.00 0.00 WT2 O ATOM 31211 H1 TIP3 4461 32.598 31.608 45.403 1.00 0.00 WT2 H ATOM 31212 H2 TIP3 4461 33.574 30.451 45.395 1.00 0.00 WT2 H ATOM 31213 OH2 TIP3 4473 79.531 87.808 39.923 1.00 0.00 WT2 O ATOM 31214 H1 TIP3 4473 78.661 87.476 40.143 1.00 0.00 WT2 H ATOM 31215 H2 TIP3 4473 79.594 88.643 40.387 1.00 0.00 WT2 H ATOM 31216 OH2 TIP3 4474 72.870 93.238 60.656 1.00 0.00 WT2 O ATOM 31217 H1 TIP3 4474 72.406 92.444 60.390 1.00 0.00 WT2 H ATOM 31218 H2 TIP3 4474 73.033 93.706 59.837 1.00 0.00 WT2 H ATOM 31219 OH2 TIP3 4477 52.825 93.420 -16.570 1.00 0.00 WT2 O ATOM 31220 H1 TIP3 4477 52.295 93.001 -15.892 1.00 0.00 WT2 H ATOM 31221 H2 TIP3 4477 53.005 92.722 -17.200 1.00 0.00 WT2 H ATOM 31222 OH2 TIP3 4478 59.843 63.357 65.065 1.00 0.00 WT2 O ATOM 31223 H1 TIP3 4478 60.790 63.357 65.206 1.00 0.00 WT2 H ATOM 31224 H2 TIP3 4478 59.645 62.468 64.769 1.00 0.00 WT2 H ATOM 31225 OH2 TIP3 4479 42.605 33.226 41.151 1.00 0.00 WT2 O ATOM 31226 H1 TIP3 4479 43.313 33.848 41.321 1.00 0.00 WT2 H ATOM 31227 H2 TIP3 4479 42.129 33.601 40.411 1.00 0.00 WT2 H ATOM 31228 OH2 TIP3 4480 31.238 94.358 18.786 1.00 0.00 WT2 O ATOM 31229 H1 TIP3 4480 30.854 94.805 19.540 1.00 0.00 WT2 H ATOM 31230 H2 TIP3 4480 31.325 93.446 19.066 1.00 0.00 WT2 H ATOM 31231 OH2 TIP3 4481 66.976 11.856 65.300 1.00 0.00 WT2 O ATOM 31232 H1 TIP3 4481 67.870 12.124 65.089 1.00 0.00 WT2 H ATOM 31233 H2 TIP3 4481 66.846 11.045 64.808 1.00 0.00 WT2 H ATOM 31234 OH2 TIP3 4496 48.135 12.513 -7.414 1.00 0.00 WT2 O ATOM 31235 H1 TIP3 4496 48.170 13.461 -7.287 1.00 0.00 WT2 H ATOM 31236 H2 TIP3 4496 48.766 12.162 -6.786 1.00 0.00 WT2 H ATOM 31237 OH2 TIP3 4497 47.119 50.017 32.574 1.00 0.00 WT2 O ATOM 31238 H1 TIP3 4497 47.209 49.591 31.721 1.00 0.00 WT2 H ATOM 31239 H2 TIP3 4497 46.481 49.480 33.044 1.00 0.00 WT2 H ATOM 31240 OH2 TIP3 4499 81.610 38.201 -5.302 1.00 0.00 WT2 O ATOM 31241 H1 TIP3 4499 81.660 39.105 -4.992 1.00 0.00 WT2 H ATOM 31242 H2 TIP3 4499 82.444 37.811 -5.040 1.00 0.00 WT2 H ATOM 31243 OH2 TIP3 4500 64.477 70.802 59.756 1.00 0.00 WT2 O ATOM 31244 H1 TIP3 4500 65.089 71.359 59.276 1.00 0.00 WT2 H ATOM 31245 H2 TIP3 4500 64.969 70.000 59.931 1.00 0.00 WT2 H ATOM 31246 OH2 TIP3 4501 48.802 51.981 65.728 1.00 0.00 WT2 O ATOM 31247 H1 TIP3 4501 49.410 52.110 65.000 1.00 0.00 WT2 H ATOM 31248 H2 TIP3 4501 48.012 52.455 65.467 1.00 0.00 WT2 H ATOM 31249 OH2 TIP3 4513 27.740 70.878 43.041 1.00 0.00 WT2 O ATOM 31250 H1 TIP3 4513 27.955 70.253 43.734 1.00 0.00 WT2 H ATOM 31251 H2 TIP3 4513 26.939 70.533 42.646 1.00 0.00 WT2 H ATOM 31252 OH2 TIP3 4515 28.905 29.295 45.609 1.00 0.00 WT2 O ATOM 31253 H1 TIP3 4515 29.674 28.802 45.322 1.00 0.00 WT2 H ATOM 31254 H2 TIP3 4515 29.210 30.200 45.673 1.00 0.00 WT2 H ATOM 31255 OH2 TIP3 4516 41.134 37.039 -3.430 1.00 0.00 WT2 O ATOM 31256 H1 TIP3 4516 40.601 37.540 -2.812 1.00 0.00 WT2 H ATOM 31257 H2 TIP3 4516 42.029 37.343 -3.276 1.00 0.00 WT2 H ATOM 31258 OH2 TIP3 4517 33.679 77.100 -3.449 1.00 0.00 WT2 O ATOM 31259 H1 TIP3 4517 33.343 76.251 -3.734 1.00 0.00 WT2 H ATOM 31260 H2 TIP3 4517 34.119 77.456 -4.221 1.00 0.00 WT2 H ATOM 31261 OH2 TIP3 4518 40.103 19.762 39.878 1.00 0.00 WT2 O ATOM 31262 H1 TIP3 4518 40.264 19.119 39.188 1.00 0.00 WT2 H ATOM 31263 H2 TIP3 4518 40.057 20.601 39.420 1.00 0.00 WT2 H ATOM 31264 OH2 TIP3 4519 66.395 46.400 47.460 1.00 0.00 WT2 O ATOM 31265 H1 TIP3 4519 65.950 45.557 47.542 1.00 0.00 WT2 H ATOM 31266 H2 TIP3 4519 67.047 46.262 46.773 1.00 0.00 WT2 H ATOM 31267 OH2 TIP3 4523 30.357 91.526 34.548 1.00 0.00 WT2 O ATOM 31268 H1 TIP3 4523 30.125 90.686 34.944 1.00 0.00 WT2 H ATOM 31269 H2 TIP3 4523 30.384 92.139 35.283 1.00 0.00 WT2 H ATOM 31270 OH2 TIP3 4524 24.712 75.801 43.023 1.00 0.00 WT2 O ATOM 31271 H1 TIP3 4524 25.253 76.302 42.414 1.00 0.00 WT2 H ATOM 31272 H2 TIP3 4524 23.871 76.258 43.030 1.00 0.00 WT2 H ATOM 31273 OH2 TIP3 4536 89.669 45.030 47.375 1.00 0.00 WT2 O ATOM 31274 H1 TIP3 4536 89.039 44.441 47.790 1.00 0.00 WT2 H ATOM 31275 H2 TIP3 4536 90.210 44.458 46.830 1.00 0.00 WT2 H ATOM 31276 OH2 TIP3 4537 85.347 91.179 41.373 1.00 0.00 WT2 O ATOM 31277 H1 TIP3 4537 84.820 90.819 42.087 1.00 0.00 WT2 H ATOM 31278 H2 TIP3 4537 86.199 91.360 41.771 1.00 0.00 WT2 H ATOM 31279 OH2 TIP3 4538 78.705 44.201 54.376 1.00 0.00 WT2 O ATOM 31280 H1 TIP3 4538 78.394 45.048 54.056 1.00 0.00 WT2 H ATOM 31281 H2 TIP3 4538 78.567 43.601 53.643 1.00 0.00 WT2 H ATOM 31282 OH2 TIP3 4540 63.223 37.640 51.211 1.00 0.00 WT2 O ATOM 31283 H1 TIP3 4540 63.270 37.679 52.166 1.00 0.00 WT2 H ATOM 31284 H2 TIP3 4540 62.383 37.217 51.029 1.00 0.00 WT2 H ATOM 31285 OH2 TIP3 4544 87.021 31.591 10.728 1.00 0.00 WT2 O ATOM 31286 H1 TIP3 4544 87.775 32.087 11.047 1.00 0.00 WT2 H ATOM 31287 H2 TIP3 4544 86.497 31.422 11.511 1.00 0.00 WT2 H ATOM 31288 OH2 TIP3 4553 23.049 80.246 50.999 1.00 0.00 WT2 O ATOM 31289 H1 TIP3 4553 23.294 80.641 51.836 1.00 0.00 WT2 H ATOM 31290 H2 TIP3 4553 22.119 80.041 51.093 1.00 0.00 WT2 H ATOM 31291 OH2 TIP3 4558 56.007 61.421 -2.680 1.00 0.00 WT2 O ATOM 31292 H1 TIP3 4558 55.539 61.013 -1.952 1.00 0.00 WT2 H ATOM 31293 H2 TIP3 4558 56.324 62.252 -2.327 1.00 0.00 WT2 H ATOM 31294 OH2 TIP3 4559 30.915 15.063 27.497 1.00 0.00 WT2 O ATOM 31295 H1 TIP3 4559 31.598 14.677 26.948 1.00 0.00 WT2 H ATOM 31296 H2 TIP3 4559 31.277 15.904 27.775 1.00 0.00 WT2 H ATOM 31297 OH2 TIP3 4560 45.426 36.923 27.270 1.00 0.00 WT2 O ATOM 31298 H1 TIP3 4560 45.120 36.687 26.395 1.00 0.00 WT2 H ATOM 31299 H2 TIP3 4560 44.647 36.860 27.822 1.00 0.00 WT2 H ATOM 31300 OH2 TIP3 4561 41.695 84.901 1.814 1.00 0.00 WT2 O ATOM 31301 H1 TIP3 4561 42.415 85.362 2.244 1.00 0.00 WT2 H ATOM 31302 H2 TIP3 4561 40.981 84.925 2.451 1.00 0.00 WT2 H ATOM 31303 OH2 TIP3 4562 64.971 11.775 32.742 1.00 0.00 WT2 O ATOM 31304 H1 TIP3 4562 64.136 11.362 32.520 1.00 0.00 WT2 H ATOM 31305 H2 TIP3 4562 64.985 12.580 32.225 1.00 0.00 WT2 H ATOM 31306 OH2 TIP3 4563 72.019 96.612 -12.776 1.00 0.00 WT2 O ATOM 31307 H1 TIP3 4563 72.082 96.589 -13.731 1.00 0.00 WT2 H ATOM 31308 H2 TIP3 4563 71.085 96.720 -12.599 1.00 0.00 WT2 H ATOM 31309 OH2 TIP3 4565 20.838 37.269 36.860 1.00 0.00 WT2 O ATOM 31310 H1 TIP3 4565 19.929 37.443 36.615 1.00 0.00 WT2 H ATOM 31311 H2 TIP3 4565 20.861 37.406 37.807 1.00 0.00 WT2 H ATOM 31312 OH2 TIP3 4569 39.277 49.167 -4.980 1.00 0.00 WT2 O ATOM 31313 H1 TIP3 4569 39.738 48.882 -4.191 1.00 0.00 WT2 H ATOM 31314 H2 TIP3 4569 38.399 48.796 -4.892 1.00 0.00 WT2 H ATOM 31315 OH2 TIP3 4578 63.663 64.713 -10.997 1.00 0.00 WT2 O ATOM 31316 H1 TIP3 4578 64.142 63.996 -10.581 1.00 0.00 WT2 H ATOM 31317 H2 TIP3 4578 62.754 64.582 -10.730 1.00 0.00 WT2 H ATOM 31318 OH2 TIP3 4581 28.647 43.096 38.429 1.00 0.00 WT2 O ATOM 31319 H1 TIP3 4581 28.712 43.265 37.489 1.00 0.00 WT2 H ATOM 31320 H2 TIP3 4581 29.319 43.653 38.820 1.00 0.00 WT2 H ATOM 31321 OH2 TIP3 4582 21.348 85.868 33.741 1.00 0.00 WT2 O ATOM 31322 H1 TIP3 4582 21.987 86.549 33.530 1.00 0.00 WT2 H ATOM 31323 H2 TIP3 4582 21.159 85.996 34.671 1.00 0.00 WT2 H ATOM 31324 OH2 TIP3 4586 65.404 42.812 23.246 1.00 0.00 WT2 O ATOM 31325 H1 TIP3 4586 64.869 43.184 23.947 1.00 0.00 WT2 H ATOM 31326 H2 TIP3 4586 64.771 42.440 22.631 1.00 0.00 WT2 H ATOM 31327 OH2 TIP3 4599 23.251 14.478 -2.788 1.00 0.00 WT2 O ATOM 31328 H1 TIP3 4599 23.876 15.157 -2.532 1.00 0.00 WT2 H ATOM 31329 H2 TIP3 4599 23.132 13.952 -1.997 1.00 0.00 WT2 H ATOM 31330 OH2 TIP3 4600 84.941 46.009 36.847 1.00 0.00 WT2 O ATOM 31331 H1 TIP3 4600 84.474 45.516 36.172 1.00 0.00 WT2 H ATOM 31332 H2 TIP3 4600 85.255 45.342 37.458 1.00 0.00 WT2 H ATOM 31333 OH2 TIP3 4602 35.311 68.924 26.157 1.00 0.00 WT2 O ATOM 31334 H1 TIP3 4602 35.230 69.064 27.101 1.00 0.00 WT2 H ATOM 31335 H2 TIP3 4602 36.238 68.724 26.023 1.00 0.00 WT2 H ATOM 31336 OH2 TIP3 4603 47.364 78.446 52.253 1.00 0.00 WT2 O ATOM 31337 H1 TIP3 4603 47.752 78.927 51.522 1.00 0.00 WT2 H ATOM 31338 H2 TIP3 4603 48.026 77.797 52.491 1.00 0.00 WT2 H ATOM 31339 OH2 TIP3 4621 44.875 14.673 46.422 1.00 0.00 WT2 O ATOM 31340 H1 TIP3 4621 44.540 14.059 45.769 1.00 0.00 WT2 H ATOM 31341 H2 TIP3 4621 45.439 15.267 45.926 1.00 0.00 WT2 H ATOM 31342 OH2 TIP3 4622 21.759 32.059 -14.028 1.00 0.00 WT2 O ATOM 31343 H1 TIP3 4622 21.889 31.198 -14.426 1.00 0.00 WT2 H ATOM 31344 H2 TIP3 4622 22.626 32.306 -13.704 1.00 0.00 WT2 H ATOM 31345 OH2 TIP3 4623 54.569 37.461 -19.019 1.00 0.00 WT2 O ATOM 31346 H1 TIP3 4623 54.701 38.010 -19.792 1.00 0.00 WT2 H ATOM 31347 H2 TIP3 4623 54.528 38.079 -18.290 1.00 0.00 WT2 H ATOM 31348 OH2 TIP3 4625 20.304 24.881 36.174 1.00 0.00 WT2 O ATOM 31349 H1 TIP3 4625 19.901 25.516 35.582 1.00 0.00 WT2 H ATOM 31350 H2 TIP3 4625 21.234 24.899 35.948 1.00 0.00 WT2 H ATOM 31351 OH2 TIP3 4627 46.051 47.534 64.106 1.00 0.00 WT2 O ATOM 31352 H1 TIP3 4627 46.983 47.726 64.211 1.00 0.00 WT2 H ATOM 31353 H2 TIP3 4627 45.768 47.237 64.971 1.00 0.00 WT2 H ATOM 31354 OH2 TIP3 4628 68.811 53.749 15.715 1.00 0.00 WT2 O ATOM 31355 H1 TIP3 4628 68.253 53.614 16.481 1.00 0.00 WT2 H ATOM 31356 H2 TIP3 4628 68.201 53.793 14.979 1.00 0.00 WT2 H ATOM 31357 OH2 TIP3 4641 41.805 50.855 40.319 1.00 0.00 WT2 O ATOM 31358 H1 TIP3 4641 41.429 51.684 40.026 1.00 0.00 WT2 H ATOM 31359 H2 TIP3 4641 42.032 51.005 41.237 1.00 0.00 WT2 H ATOM 31360 OH2 TIP3 4643 26.719 90.193 53.079 1.00 0.00 WT2 O ATOM 31361 H1 TIP3 4643 27.341 90.201 53.805 1.00 0.00 WT2 H ATOM 31362 H2 TIP3 4643 27.254 90.350 52.301 1.00 0.00 WT2 H ATOM 31363 OH2 TIP3 4644 47.576 41.013 33.416 1.00 0.00 WT2 O ATOM 31364 H1 TIP3 4644 48.206 40.367 33.099 1.00 0.00 WT2 H ATOM 31365 H2 TIP3 4644 47.094 41.282 32.634 1.00 0.00 WT2 H ATOM 31366 OH2 TIP3 4645 50.901 57.128 8.131 1.00 0.00 WT2 O ATOM 31367 H1 TIP3 4645 50.867 58.078 8.018 1.00 0.00 WT2 H ATOM 31368 H2 TIP3 4645 51.834 56.917 8.107 1.00 0.00 WT2 H ATOM 31369 OH2 TIP3 4647 47.647 24.824 44.598 1.00 0.00 WT2 O ATOM 31370 H1 TIP3 4647 47.749 25.648 44.122 1.00 0.00 WT2 H ATOM 31371 H2 TIP3 4647 48.393 24.293 44.322 1.00 0.00 WT2 H ATOM 31372 OH2 TIP3 4648 59.328 83.593 60.873 1.00 0.00 WT2 O ATOM 31373 H1 TIP3 4648 59.812 83.021 60.278 1.00 0.00 WT2 H ATOM 31374 H2 TIP3 4648 58.448 83.637 60.501 1.00 0.00 WT2 H ATOM 31375 OH2 TIP3 4661 37.799 49.601 24.815 1.00 0.00 WT2 O ATOM 31376 H1 TIP3 4661 38.614 49.726 24.329 1.00 0.00 WT2 H ATOM 31377 H2 TIP3 4661 37.923 50.101 25.623 1.00 0.00 WT2 H ATOM 31378 OH2 TIP3 4663 24.132 42.654 19.550 1.00 0.00 WT2 O ATOM 31379 H1 TIP3 4663 23.660 41.890 19.881 1.00 0.00 WT2 H ATOM 31380 H2 TIP3 4663 24.273 43.201 20.323 1.00 0.00 WT2 H ATOM 31381 OH2 TIP3 4664 72.093 43.455 41.165 1.00 0.00 WT2 O ATOM 31382 H1 TIP3 4664 71.363 42.937 40.826 1.00 0.00 WT2 H ATOM 31383 H2 TIP3 4664 71.721 44.325 41.313 1.00 0.00 WT2 H ATOM 31384 OH2 TIP3 4665 61.337 30.847 -9.609 1.00 0.00 WT2 O ATOM 31385 H1 TIP3 4665 61.028 30.902 -8.705 1.00 0.00 WT2 H ATOM 31386 H2 TIP3 4665 60.704 30.275 -10.045 1.00 0.00 WT2 H ATOM 31387 OH2 TIP3 4666 73.414 38.060 -1.103 1.00 0.00 WT2 O ATOM 31388 H1 TIP3 4666 72.801 37.330 -1.005 1.00 0.00 WT2 H ATOM 31389 H2 TIP3 4666 74.137 37.848 -0.513 1.00 0.00 WT2 H ATOM 31390 OH2 TIP3 4667 41.297 41.455 -14.374 1.00 0.00 WT2 O ATOM 31391 H1 TIP3 4667 41.272 42.369 -14.657 1.00 0.00 WT2 H ATOM 31392 H2 TIP3 4667 42.208 41.306 -14.121 1.00 0.00 WT2 H ATOM 31393 OH2 TIP3 4668 58.204 94.666 10.695 1.00 0.00 WT2 O ATOM 31394 H1 TIP3 4668 58.391 94.877 9.780 1.00 0.00 WT2 H ATOM 31395 H2 TIP3 4668 57.374 95.107 10.878 1.00 0.00 WT2 H ATOM 31396 OH2 TIP3 4670 79.275 78.323 47.006 1.00 0.00 WT2 O ATOM 31397 H1 TIP3 4670 79.440 78.256 46.065 1.00 0.00 WT2 H ATOM 31398 H2 TIP3 4670 78.601 78.998 47.084 1.00 0.00 WT2 H ATOM 31399 OH2 TIP3 4673 64.401 37.889 41.949 1.00 0.00 WT2 O ATOM 31400 H1 TIP3 4673 64.303 36.944 42.060 1.00 0.00 WT2 H ATOM 31401 H2 TIP3 4673 63.630 38.153 41.446 1.00 0.00 WT2 H ATOM 31402 OH2 TIP3 4675 66.989 46.067 61.153 1.00 0.00 WT2 O ATOM 31403 H1 TIP3 4675 67.935 45.926 61.109 1.00 0.00 WT2 H ATOM 31404 H2 TIP3 4675 66.824 46.776 60.532 1.00 0.00 WT2 H ATOM 31405 OH2 TIP3 4685 56.555 6.962 49.601 1.00 0.00 WT2 O ATOM 31406 H1 TIP3 4685 57.421 6.702 49.287 1.00 0.00 WT2 H ATOM 31407 H2 TIP3 4685 56.590 7.918 49.636 1.00 0.00 WT2 H ATOM 31408 OH2 TIP3 4686 80.441 46.874 2.674 1.00 0.00 WT2 O ATOM 31409 H1 TIP3 4686 79.793 47.579 2.656 1.00 0.00 WT2 H ATOM 31410 H2 TIP3 4686 80.572 46.646 1.754 1.00 0.00 WT2 H ATOM 31411 OH2 TIP3 4687 65.498 10.271 -5.252 1.00 0.00 WT2 O ATOM 31412 H1 TIP3 4687 66.355 9.966 -4.954 1.00 0.00 WT2 H ATOM 31413 H2 TIP3 4687 65.508 11.214 -5.085 1.00 0.00 WT2 H ATOM 31414 OH2 TIP3 4690 86.819 91.675 5.851 1.00 0.00 WT2 O ATOM 31415 H1 TIP3 4690 87.152 90.865 6.238 1.00 0.00 WT2 H ATOM 31416 H2 TIP3 4690 86.363 92.113 6.569 1.00 0.00 WT2 H ATOM 31417 OH2 TIP3 4694 24.852 21.923 0.024 1.00 0.00 WT2 O ATOM 31418 H1 TIP3 4694 25.405 21.408 0.611 1.00 0.00 WT2 H ATOM 31419 H2 TIP3 4694 24.997 22.830 0.292 1.00 0.00 WT2 H ATOM 31420 OH2 TIP3 4704 55.383 64.100 19.968 1.00 0.00 WT2 O ATOM 31421 H1 TIP3 4704 55.549 64.176 19.028 1.00 0.00 WT2 H ATOM 31422 H2 TIP3 4704 54.999 63.229 20.073 1.00 0.00 WT2 H ATOM 31423 OH2 TIP3 4706 54.375 9.010 -15.385 1.00 0.00 WT2 O ATOM 31424 H1 TIP3 4706 53.653 8.387 -15.469 1.00 0.00 WT2 H ATOM 31425 H2 TIP3 4706 54.844 8.948 -16.217 1.00 0.00 WT2 H ATOM 31426 OH2 TIP3 4707 68.654 43.018 48.938 1.00 0.00 WT2 O ATOM 31427 H1 TIP3 4707 69.465 42.566 48.705 1.00 0.00 WT2 H ATOM 31428 H2 TIP3 4707 68.147 43.035 48.127 1.00 0.00 WT2 H ATOM 31429 OH2 TIP3 4708 86.840 45.639 -17.370 1.00 0.00 WT2 O ATOM 31430 H1 TIP3 4708 86.225 45.552 -16.641 1.00 0.00 WT2 H ATOM 31431 H2 TIP3 4708 86.287 45.640 -18.151 1.00 0.00 WT2 H ATOM 31432 OH2 TIP3 4710 22.513 93.511 65.427 1.00 0.00 WT2 O ATOM 31433 H1 TIP3 4710 22.880 94.067 64.739 1.00 0.00 WT2 H ATOM 31434 H2 TIP3 4710 22.548 92.626 65.064 1.00 0.00 WT2 H ATOM 31435 OH2 TIP3 4713 59.536 47.369 41.098 1.00 0.00 WT2 O ATOM 31436 H1 TIP3 4713 59.419 47.851 41.917 1.00 0.00 WT2 H ATOM 31437 H2 TIP3 4713 59.089 47.903 40.440 1.00 0.00 WT2 H ATOM 31438 OH2 TIP3 4725 21.646 68.393 -9.668 1.00 0.00 WT2 O ATOM 31439 H1 TIP3 4725 21.996 69.203 -9.295 1.00 0.00 WT2 H ATOM 31440 H2 TIP3 4725 22.346 67.752 -9.547 1.00 0.00 WT2 H ATOM 31441 OH2 TIP3 4727 72.739 52.379 -6.562 1.00 0.00 WT2 O ATOM 31442 H1 TIP3 4727 73.636 52.694 -6.451 1.00 0.00 WT2 H ATOM 31443 H2 TIP3 4727 72.676 51.623 -5.979 1.00 0.00 WT2 H ATOM 31444 OH2 TIP3 4732 24.327 45.191 -12.434 1.00 0.00 WT2 O ATOM 31445 H1 TIP3 4732 23.633 44.547 -12.288 1.00 0.00 WT2 H ATOM 31446 H2 TIP3 4732 24.139 45.892 -11.810 1.00 0.00 WT2 H ATOM 31447 OH2 TIP3 4748 69.105 55.013 11.572 1.00 0.00 WT2 O ATOM 31448 H1 TIP3 4748 68.170 55.185 11.680 1.00 0.00 WT2 H ATOM 31449 H2 TIP3 4748 69.234 54.140 11.944 1.00 0.00 WT2 H ATOM 31450 OH2 TIP3 4750 40.039 56.057 64.033 1.00 0.00 WT2 O ATOM 31451 H1 TIP3 4750 39.726 56.476 63.230 1.00 0.00 WT2 H ATOM 31452 H2 TIP3 4750 39.391 55.377 64.216 1.00 0.00 WT2 H ATOM 31453 OH2 TIP3 4751 41.100 52.442 32.588 1.00 0.00 WT2 O ATOM 31454 H1 TIP3 4751 40.556 53.229 32.618 1.00 0.00 WT2 H ATOM 31455 H2 TIP3 4751 41.981 52.766 32.403 1.00 0.00 WT2 H ATOM 31456 OH2 TIP3 4767 25.429 58.868 1.929 1.00 0.00 WT2 O ATOM 31457 H1 TIP3 4767 26.155 58.332 1.609 1.00 0.00 WT2 H ATOM 31458 H2 TIP3 4767 25.211 58.492 2.782 1.00 0.00 WT2 H ATOM 31459 OH2 TIP3 4768 58.399 75.851 56.764 1.00 0.00 WT2 O ATOM 31460 H1 TIP3 4768 57.906 76.340 56.105 1.00 0.00 WT2 H ATOM 31461 H2 TIP3 4768 58.166 76.265 57.595 1.00 0.00 WT2 H ATOM 31462 OH2 TIP3 4770 46.065 14.255 1.634 1.00 0.00 WT2 O ATOM 31463 H1 TIP3 4770 45.109 14.250 1.684 1.00 0.00 WT2 H ATOM 31464 H2 TIP3 4770 46.294 15.176 1.506 1.00 0.00 WT2 H ATOM 31465 OH2 TIP3 4774 51.941 55.824 47.942 1.00 0.00 WT2 O ATOM 31466 H1 TIP3 4774 51.602 56.472 47.324 1.00 0.00 WT2 H ATOM 31467 H2 TIP3 4774 51.578 54.991 47.640 1.00 0.00 WT2 H ATOM 31468 OH2 TIP3 4787 29.656 28.970 52.846 1.00 0.00 WT2 O ATOM 31469 H1 TIP3 4787 29.987 28.335 52.211 1.00 0.00 WT2 H ATOM 31470 H2 TIP3 4787 28.869 28.561 53.206 1.00 0.00 WT2 H ATOM 31471 OH2 TIP3 4790 87.689 84.721 45.234 1.00 0.00 WT2 O ATOM 31472 H1 TIP3 4790 86.871 85.096 44.909 1.00 0.00 WT2 H ATOM 31473 H2 TIP3 4790 88.369 85.129 44.699 1.00 0.00 WT2 H ATOM 31474 OH2 TIP3 4791 32.604 4.879 52.728 1.00 0.00 WT2 O ATOM 31475 H1 TIP3 4791 32.930 4.086 53.154 1.00 0.00 WT2 H ATOM 31476 H2 TIP3 4791 33.098 4.932 51.909 1.00 0.00 WT2 H ATOM 31477 OH2 TIP3 4792 48.191 65.303 -13.130 1.00 0.00 WT2 O ATOM 31478 H1 TIP3 4792 48.374 65.717 -12.287 1.00 0.00 WT2 H ATOM 31479 H2 TIP3 4792 47.617 65.921 -13.582 1.00 0.00 WT2 H ATOM 31480 OH2 TIP3 4793 22.032 83.406 59.067 1.00 0.00 WT2 O ATOM 31481 H1 TIP3 4793 21.250 83.058 59.496 1.00 0.00 WT2 H ATOM 31482 H2 TIP3 4793 22.457 82.638 58.684 1.00 0.00 WT2 H ATOM 31483 OH2 TIP3 4794 61.627 25.875 43.713 1.00 0.00 WT2 O ATOM 31484 H1 TIP3 4794 61.564 25.016 43.295 1.00 0.00 WT2 H ATOM 31485 H2 TIP3 4794 60.953 26.401 43.281 1.00 0.00 WT2 H ATOM 31486 OH2 TIP3 4808 47.424 48.876 47.199 1.00 0.00 WT2 O ATOM 31487 H1 TIP3 4808 47.435 49.293 46.338 1.00 0.00 WT2 H ATOM 31488 H2 TIP3 4808 47.035 49.531 47.778 1.00 0.00 WT2 H ATOM 31489 OH2 TIP3 4809 52.689 66.230 48.346 1.00 0.00 WT2 O ATOM 31490 H1 TIP3 4809 52.530 65.296 48.483 1.00 0.00 WT2 H ATOM 31491 H2 TIP3 4809 52.663 66.341 47.395 1.00 0.00 WT2 H ATOM 31492 OH2 TIP3 4811 39.578 71.431 -12.924 1.00 0.00 WT2 O ATOM 31493 H1 TIP3 4811 40.279 70.897 -13.297 1.00 0.00 WT2 H ATOM 31494 H2 TIP3 4811 39.585 71.218 -11.990 1.00 0.00 WT2 H ATOM 31495 OH2 TIP3 4813 32.739 88.415 58.372 1.00 0.00 WT2 O ATOM 31496 H1 TIP3 4813 32.201 89.011 58.894 1.00 0.00 WT2 H ATOM 31497 H2 TIP3 4813 32.381 87.547 58.554 1.00 0.00 WT2 H ATOM 31498 OH2 TIP3 4816 80.422 41.682 7.334 1.00 0.00 WT2 O ATOM 31499 H1 TIP3 4816 79.874 42.128 7.980 1.00 0.00 WT2 H ATOM 31500 H2 TIP3 4816 80.706 42.377 6.740 1.00 0.00 WT2 H ATOM 31501 OH2 TIP3 4832 74.597 62.086 59.836 1.00 0.00 WT2 O ATOM 31502 H1 TIP3 4832 74.491 62.382 58.932 1.00 0.00 WT2 H ATOM 31503 H2 TIP3 4832 75.445 61.643 59.847 1.00 0.00 WT2 H ATOM 31504 OH2 TIP3 4834 49.718 20.004 29.435 1.00 0.00 WT2 O ATOM 31505 H1 TIP3 4834 48.916 20.053 29.956 1.00 0.00 WT2 H ATOM 31506 H2 TIP3 4834 49.449 20.267 28.555 1.00 0.00 WT2 H ATOM 31507 OH2 TIP3 4835 27.550 9.091 -4.927 1.00 0.00 WT2 O ATOM 31508 H1 TIP3 4835 27.170 9.903 -4.592 1.00 0.00 WT2 H ATOM 31509 H2 TIP3 4835 26.914 8.775 -5.569 1.00 0.00 WT2 H ATOM 31510 OH2 TIP3 4836 25.352 89.149 13.744 1.00 0.00 WT2 O ATOM 31511 H1 TIP3 4836 25.198 88.215 13.889 1.00 0.00 WT2 H ATOM 31512 H2 TIP3 4836 24.581 89.580 14.113 1.00 0.00 WT2 H ATOM 31513 OH2 TIP3 4839 40.069 19.602 53.826 1.00 0.00 WT2 O ATOM 31514 H1 TIP3 4839 40.350 20.423 53.420 1.00 0.00 WT2 H ATOM 31515 H2 TIP3 4839 39.801 19.050 53.091 1.00 0.00 WT2 H ATOM 31516 OH2 TIP3 4841 73.816 57.193 49.184 1.00 0.00 WT2 O ATOM 31517 H1 TIP3 4841 73.326 57.993 48.994 1.00 0.00 WT2 H ATOM 31518 H2 TIP3 4841 73.235 56.685 49.750 1.00 0.00 WT2 H ATOM 31519 OH2 TIP3 4849 20.127 11.089 33.478 1.00 0.00 WT2 O ATOM 31520 H1 TIP3 4849 20.107 12.035 33.332 1.00 0.00 WT2 H ATOM 31521 H2 TIP3 4849 20.769 10.968 34.177 1.00 0.00 WT2 H ATOM 31522 OH2 TIP3 4851 34.359 30.073 33.702 1.00 0.00 WT2 O ATOM 31523 H1 TIP3 4851 33.651 29.431 33.675 1.00 0.00 WT2 H ATOM 31524 H2 TIP3 4851 33.939 30.881 33.997 1.00 0.00 WT2 H ATOM 31525 OH2 TIP3 4853 51.267 2.797 57.728 1.00 0.00 WT2 O ATOM 31526 H1 TIP3 4853 50.468 2.481 58.149 1.00 0.00 WT2 H ATOM 31527 H2 TIP3 4853 51.974 2.498 58.299 1.00 0.00 WT2 H ATOM 31528 OH2 TIP3 4854 55.507 95.120 34.179 1.00 0.00 WT2 O ATOM 31529 H1 TIP3 4854 56.322 94.826 34.587 1.00 0.00 WT2 H ATOM 31530 H2 TIP3 4854 54.979 94.325 34.098 1.00 0.00 WT2 H ATOM 31531 OH2 TIP3 4855 24.686 82.853 -11.583 1.00 0.00 WT2 O ATOM 31532 H1 TIP3 4855 25.516 82.678 -12.029 1.00 0.00 WT2 H ATOM 31533 H2 TIP3 4855 24.038 82.351 -12.078 1.00 0.00 WT2 H ATOM 31534 OH2 TIP3 4857 65.602 2.649 50.345 1.00 0.00 WT2 O ATOM 31535 H1 TIP3 4857 66.045 1.901 49.944 1.00 0.00 WT2 H ATOM 31536 H2 TIP3 4857 65.762 2.548 51.283 1.00 0.00 WT2 H ATOM 31537 OH2 TIP3 4859 34.534 33.810 -7.215 1.00 0.00 WT2 O ATOM 31538 H1 TIP3 4859 35.284 34.181 -6.750 1.00 0.00 WT2 H ATOM 31539 H2 TIP3 4859 33.817 33.846 -6.582 1.00 0.00 WT2 H ATOM 31540 OH2 TIP3 4863 80.725 0.862 64.194 1.00 0.00 WT2 O ATOM 31541 H1 TIP3 4863 81.511 0.801 64.737 1.00 0.00 WT2 H ATOM 31542 H2 TIP3 4863 80.425 1.764 64.307 1.00 0.00 WT2 H ATOM 31543 OH2 TIP3 4872 32.349 19.035 -14.843 1.00 0.00 WT2 O ATOM 31544 H1 TIP3 4872 31.679 18.822 -14.194 1.00 0.00 WT2 H ATOM 31545 H2 TIP3 4872 31.995 19.790 -15.314 1.00 0.00 WT2 H ATOM 31546 OH2 TIP3 4875 45.525 92.005 -12.912 1.00 0.00 WT2 O ATOM 31547 H1 TIP3 4875 44.990 92.399 -12.223 1.00 0.00 WT2 H ATOM 31548 H2 TIP3 4875 44.910 91.839 -13.627 1.00 0.00 WT2 H ATOM 31549 OH2 TIP3 4876 80.270 92.426 -8.175 1.00 0.00 WT2 O ATOM 31550 H1 TIP3 4876 80.446 91.954 -7.361 1.00 0.00 WT2 H ATOM 31551 H2 TIP3 4876 79.619 91.889 -8.627 1.00 0.00 WT2 H ATOM 31552 OH2 TIP3 4877 72.378 78.734 -11.910 1.00 0.00 WT2 O ATOM 31553 H1 TIP3 4877 72.101 78.436 -12.776 1.00 0.00 WT2 H ATOM 31554 H2 TIP3 4877 72.142 78.015 -11.323 1.00 0.00 WT2 H ATOM 31555 OH2 TIP3 4879 87.528 39.278 50.652 1.00 0.00 WT2 O ATOM 31556 H1 TIP3 4879 86.627 39.425 50.938 1.00 0.00 WT2 H ATOM 31557 H2 TIP3 4879 87.971 38.926 51.424 1.00 0.00 WT2 H ATOM 31558 OH2 TIP3 4890 87.653 43.829 59.357 1.00 0.00 WT2 O ATOM 31559 H1 TIP3 4890 87.351 44.192 60.190 1.00 0.00 WT2 H ATOM 31560 H2 TIP3 4890 87.018 43.142 59.151 1.00 0.00 WT2 H ATOM 31561 OH2 TIP3 4896 40.316 84.125 -0.255 1.00 0.00 WT2 O ATOM 31562 H1 TIP3 4896 41.070 83.961 -0.821 1.00 0.00 WT2 H ATOM 31563 H2 TIP3 4896 40.697 84.378 0.586 1.00 0.00 WT2 H ATOM 31564 OH2 TIP3 4897 75.089 31.102 13.581 1.00 0.00 WT2 O ATOM 31565 H1 TIP3 4897 75.546 31.743 13.036 1.00 0.00 WT2 H ATOM 31566 H2 TIP3 4897 74.621 31.627 14.229 1.00 0.00 WT2 H ATOM 31567 OH2 TIP3 4898 67.339 42.728 39.989 1.00 0.00 WT2 O ATOM 31568 H1 TIP3 4898 66.555 43.163 39.654 1.00 0.00 WT2 H ATOM 31569 H2 TIP3 4898 67.614 43.266 40.731 1.00 0.00 WT2 H ATOM 31570 OH2 TIP3 4899 42.712 79.293 43.910 1.00 0.00 WT2 O ATOM 31571 H1 TIP3 4899 42.271 79.414 43.069 1.00 0.00 WT2 H ATOM 31572 H2 TIP3 4899 42.342 78.482 44.260 1.00 0.00 WT2 H ATOM 31573 OH2 TIP3 4904 36.374 22.499 -9.510 1.00 0.00 WT2 O ATOM 31574 H1 TIP3 4904 37.123 22.453 -10.104 1.00 0.00 WT2 H ATOM 31575 H2 TIP3 4904 35.641 22.158 -10.021 1.00 0.00 WT2 H ATOM 31576 OH2 TIP3 4914 24.870 76.938 18.544 1.00 0.00 WT2 O ATOM 31577 H1 TIP3 4914 25.463 76.667 19.245 1.00 0.00 WT2 H ATOM 31578 H2 TIP3 4914 24.198 76.256 18.522 1.00 0.00 WT2 H ATOM 31579 OH2 TIP3 4915 24.446 12.467 -18.473 1.00 0.00 WT2 O ATOM 31580 H1 TIP3 4915 25.199 12.027 -18.867 1.00 0.00 WT2 H ATOM 31581 H2 TIP3 4915 24.455 13.345 -18.853 1.00 0.00 WT2 H ATOM 31582 OH2 TIP3 4916 58.984 47.334 43.712 1.00 0.00 WT2 O ATOM 31583 H1 TIP3 4916 59.301 47.411 44.612 1.00 0.00 WT2 H ATOM 31584 H2 TIP3 4916 58.557 46.478 43.680 1.00 0.00 WT2 H ATOM 31585 OH2 TIP3 4918 71.402 55.237 38.817 1.00 0.00 WT2 O ATOM 31586 H1 TIP3 4918 71.225 55.911 38.160 1.00 0.00 WT2 H ATOM 31587 H2 TIP3 4918 71.272 54.410 38.354 1.00 0.00 WT2 H ATOM 31588 OH2 TIP3 4919 41.943 26.351 51.543 1.00 0.00 WT2 O ATOM 31589 H1 TIP3 4919 42.130 25.980 50.680 1.00 0.00 WT2 H ATOM 31590 H2 TIP3 4919 42.604 27.033 51.659 1.00 0.00 WT2 H ATOM 31591 OH2 TIP3 4921 25.755 79.803 10.050 1.00 0.00 WT2 O ATOM 31592 H1 TIP3 4921 25.329 80.542 9.616 1.00 0.00 WT2 H ATOM 31593 H2 TIP3 4921 25.776 79.114 9.385 1.00 0.00 WT2 H ATOM 31594 OH2 TIP3 4922 74.990 55.229 -11.899 1.00 0.00 WT2 O ATOM 31595 H1 TIP3 4922 74.796 54.428 -11.412 1.00 0.00 WT2 H ATOM 31596 H2 TIP3 4922 74.589 55.927 -11.382 1.00 0.00 WT2 H ATOM 31597 OH2 TIP3 4924 49.836 3.064 -0.185 1.00 0.00 WT2 O ATOM 31598 H1 TIP3 4924 49.045 3.565 -0.382 1.00 0.00 WT2 H ATOM 31599 H2 TIP3 4924 49.667 2.677 0.674 1.00 0.00 WT2 H ATOM 31600 OH2 TIP3 4934 86.702 39.361 61.546 1.00 0.00 WT2 O ATOM 31601 H1 TIP3 4934 87.550 38.923 61.622 1.00 0.00 WT2 H ATOM 31602 H2 TIP3 4934 86.522 39.371 60.606 1.00 0.00 WT2 H ATOM 31603 OH2 TIP3 4935 29.372 45.378 -3.855 1.00 0.00 WT2 O ATOM 31604 H1 TIP3 4935 28.778 46.111 -3.693 1.00 0.00 WT2 H ATOM 31605 H2 TIP3 4935 30.106 45.765 -4.332 1.00 0.00 WT2 H ATOM 31606 OH2 TIP3 4936 38.685 94.901 -13.274 1.00 0.00 WT2 O ATOM 31607 H1 TIP3 4936 38.947 93.998 -13.450 1.00 0.00 WT2 H ATOM 31608 H2 TIP3 4936 39.316 95.212 -12.625 1.00 0.00 WT2 H ATOM 31609 OH2 TIP3 4937 58.137 27.156 -16.644 1.00 0.00 WT2 O ATOM 31610 H1 TIP3 4937 57.548 27.893 -16.484 1.00 0.00 WT2 H ATOM 31611 H2 TIP3 4937 58.076 27.001 -17.587 1.00 0.00 WT2 H ATOM 31612 OH2 TIP3 4939 54.616 12.535 31.507 1.00 0.00 WT2 O ATOM 31613 H1 TIP3 4939 53.795 12.141 31.802 1.00 0.00 WT2 H ATOM 31614 H2 TIP3 4939 54.478 13.477 31.604 1.00 0.00 WT2 H ATOM 31615 OH2 TIP3 4942 37.154 80.883 53.777 1.00 0.00 WT2 O ATOM 31616 H1 TIP3 4942 37.558 81.550 53.221 1.00 0.00 WT2 H ATOM 31617 H2 TIP3 4942 36.683 80.316 53.167 1.00 0.00 WT2 H ATOM 31618 OH2 TIP3 4956 51.682 91.512 56.506 1.00 0.00 WT2 O ATOM 31619 H1 TIP3 4956 51.302 91.243 55.670 1.00 0.00 WT2 H ATOM 31620 H2 TIP3 4956 52.402 90.897 56.651 1.00 0.00 WT2 H ATOM 31621 OH2 TIP3 4957 35.583 51.538 63.256 1.00 0.00 WT2 O ATOM 31622 H1 TIP3 4957 34.730 51.937 63.427 1.00 0.00 WT2 H ATOM 31623 H2 TIP3 4957 35.744 51.703 62.327 1.00 0.00 WT2 H ATOM 31624 OH2 TIP3 4962 88.283 46.517 40.813 1.00 0.00 WT2 O ATOM 31625 H1 TIP3 4962 87.578 46.426 41.454 1.00 0.00 WT2 H ATOM 31626 H2 TIP3 4962 88.020 47.262 40.272 1.00 0.00 WT2 H ATOM 31627 OH2 TIP3 4963 58.773 56.069 52.300 1.00 0.00 WT2 O ATOM 31628 H1 TIP3 4963 58.558 56.662 51.579 1.00 0.00 WT2 H ATOM 31629 H2 TIP3 4963 57.933 55.685 52.553 1.00 0.00 WT2 H ATOM 31630 OH2 TIP3 4965 39.968 21.763 37.877 1.00 0.00 WT2 O ATOM 31631 H1 TIP3 4965 39.770 22.700 37.875 1.00 0.00 WT2 H ATOM 31632 H2 TIP3 4965 40.399 21.608 37.037 1.00 0.00 WT2 H ATOM 31633 OH2 TIP3 4978 51.229 30.889 66.993 1.00 0.00 WT2 O ATOM 31634 H1 TIP3 4978 51.918 30.253 66.801 1.00 0.00 WT2 H ATOM 31635 H2 TIP3 4978 50.491 30.359 67.295 1.00 0.00 WT2 H ATOM 31636 OH2 TIP3 4980 83.052 25.416 -13.471 1.00 0.00 WT2 O ATOM 31637 H1 TIP3 4980 83.864 25.010 -13.774 1.00 0.00 WT2 H ATOM 31638 H2 TIP3 4980 82.933 26.172 -14.047 1.00 0.00 WT2 H ATOM 31639 OH2 TIP3 4981 49.621 88.584 -11.763 1.00 0.00 WT2 O ATOM 31640 H1 TIP3 4981 49.749 87.701 -12.110 1.00 0.00 WT2 H ATOM 31641 H2 TIP3 4981 48.798 88.879 -12.153 1.00 0.00 WT2 H ATOM 31642 OH2 TIP3 4982 47.416 64.507 8.377 1.00 0.00 WT2 O ATOM 31643 H1 TIP3 4982 47.514 64.964 9.212 1.00 0.00 WT2 H ATOM 31644 H2 TIP3 4982 48.312 64.380 8.066 1.00 0.00 WT2 H ATOM 31645 OH2 TIP3 4983 74.364 28.622 47.859 1.00 0.00 WT2 O ATOM 31646 H1 TIP3 4983 73.561 29.082 47.613 1.00 0.00 WT2 H ATOM 31647 H2 TIP3 4983 74.134 28.150 48.660 1.00 0.00 WT2 H ATOM 31648 OH2 TIP3 4985 51.870 21.414 33.465 1.00 0.00 WT2 O ATOM 31649 H1 TIP3 4985 51.550 20.534 33.662 1.00 0.00 WT2 H ATOM 31650 H2 TIP3 4985 51.757 21.504 32.519 1.00 0.00 WT2 H ATOM 31651 OH2 TIP3 4996 46.309 87.885 -5.151 1.00 0.00 WT2 O ATOM 31652 H1 TIP3 4996 46.073 88.240 -4.294 1.00 0.00 WT2 H ATOM 31653 H2 TIP3 4996 45.471 87.746 -5.593 1.00 0.00 WT2 H ATOM 31654 OH2 TIP3 4998 61.441 10.631 60.432 1.00 0.00 WT2 O ATOM 31655 H1 TIP3 4998 61.873 10.532 61.281 1.00 0.00 WT2 H ATOM 31656 H2 TIP3 4998 60.623 11.086 60.631 1.00 0.00 WT2 H ATOM 31657 OH2 TIP3 4999 43.939 58.258 -18.656 1.00 0.00 WT2 O ATOM 31658 H1 TIP3 4999 44.461 58.381 -17.863 1.00 0.00 WT2 H ATOM 31659 H2 TIP3 4999 43.782 59.145 -18.980 1.00 0.00 WT2 H ATOM 31660 OH2 TIP3 5000 50.446 38.676 -17.776 1.00 0.00 WT2 O ATOM 31661 H1 TIP3 5000 49.805 39.239 -17.341 1.00 0.00 WT2 H ATOM 31662 H2 TIP3 5000 50.889 38.220 -17.060 1.00 0.00 WT2 H ATOM 31663 OH2 TIP3 5001 35.067 68.521 18.967 1.00 0.00 WT2 O ATOM 31664 H1 TIP3 5001 35.576 69.204 18.532 1.00 0.00 WT2 H ATOM 31665 H2 TIP3 5001 35.695 68.081 19.541 1.00 0.00 WT2 H ATOM 31666 OH2 TIP3 5002 69.621 20.124 -13.044 1.00 0.00 WT2 O ATOM 31667 H1 TIP3 5002 70.463 20.521 -12.822 1.00 0.00 WT2 H ATOM 31668 H2 TIP3 5002 68.970 20.755 -12.738 1.00 0.00 WT2 H ATOM 31669 OH2 TIP3 5004 75.233 38.774 33.865 1.00 0.00 WT2 O ATOM 31670 H1 TIP3 5004 76.112 38.733 33.489 1.00 0.00 WT2 H ATOM 31671 H2 TIP3 5004 75.078 39.707 34.012 1.00 0.00 WT2 H ATOM 31672 OH2 TIP3 5005 23.771 28.640 10.195 1.00 0.00 WT2 O ATOM 31673 H1 TIP3 5005 23.474 28.756 11.098 1.00 0.00 WT2 H ATOM 31674 H2 TIP3 5005 24.233 29.453 9.989 1.00 0.00 WT2 H ATOM 31675 OH2 TIP3 5019 67.243 14.541 36.400 1.00 0.00 WT2 O ATOM 31676 H1 TIP3 5019 67.147 15.126 35.648 1.00 0.00 WT2 H ATOM 31677 H2 TIP3 5019 66.527 13.912 36.308 1.00 0.00 WT2 H ATOM 31678 OH2 TIP3 5021 53.690 17.707 43.635 1.00 0.00 WT2 O ATOM 31679 H1 TIP3 5021 54.525 18.123 43.850 1.00 0.00 WT2 H ATOM 31680 H2 TIP3 5021 53.921 16.803 43.421 1.00 0.00 WT2 H ATOM 31681 OH2 TIP3 5023 28.184 43.640 47.383 1.00 0.00 WT2 O ATOM 31682 H1 TIP3 5023 28.626 44.488 47.339 1.00 0.00 WT2 H ATOM 31683 H2 TIP3 5023 27.370 43.767 46.896 1.00 0.00 WT2 H ATOM 31684 OH2 TIP3 5025 66.283 10.248 -8.929 1.00 0.00 WT2 O ATOM 31685 H1 TIP3 5025 67.165 9.946 -9.145 1.00 0.00 WT2 H ATOM 31686 H2 TIP3 5025 66.034 9.734 -8.161 1.00 0.00 WT2 H ATOM 31687 OH2 TIP3 5040 79.316 9.723 51.561 1.00 0.00 WT2 O ATOM 31688 H1 TIP3 5040 78.375 9.810 51.406 1.00 0.00 WT2 H ATOM 31689 H2 TIP3 5040 79.386 9.046 52.233 1.00 0.00 WT2 H ATOM 31690 OH2 TIP3 5043 70.603 34.128 60.760 1.00 0.00 WT2 O ATOM 31691 H1 TIP3 5043 69.693 34.206 60.472 1.00 0.00 WT2 H ATOM 31692 H2 TIP3 5043 71.116 34.476 60.030 1.00 0.00 WT2 H ATOM 31693 OH2 TIP3 5044 29.091 9.111 37.541 1.00 0.00 WT2 O ATOM 31694 H1 TIP3 5044 28.773 10.008 37.642 1.00 0.00 WT2 H ATOM 31695 H2 TIP3 5044 28.373 8.565 37.861 1.00 0.00 WT2 H ATOM 31696 OH2 TIP3 5045 85.760 33.984 36.710 1.00 0.00 WT2 O ATOM 31697 H1 TIP3 5045 86.529 33.773 36.180 1.00 0.00 WT2 H ATOM 31698 H2 TIP3 5045 85.031 33.568 36.251 1.00 0.00 WT2 H ATOM 31699 OH2 TIP3 5049 32.984 27.485 -8.579 1.00 0.00 WT2 O ATOM 31700 H1 TIP3 5049 33.665 26.975 -8.141 1.00 0.00 WT2 H ATOM 31701 H2 TIP3 5049 32.833 28.231 -7.998 1.00 0.00 WT2 H ATOM 31702 OH2 TIP3 5060 72.060 40.356 30.166 1.00 0.00 WT2 O ATOM 31703 H1 TIP3 5060 72.955 40.643 29.986 1.00 0.00 WT2 H ATOM 31704 H2 TIP3 5060 71.617 40.409 29.319 1.00 0.00 WT2 H ATOM 31705 OH2 TIP3 5061 46.603 26.470 34.267 1.00 0.00 WT2 O ATOM 31706 H1 TIP3 5061 46.240 25.841 33.642 1.00 0.00 WT2 H ATOM 31707 H2 TIP3 5061 47.115 27.074 33.729 1.00 0.00 WT2 H ATOM 31708 OH2 TIP3 5062 26.423 57.004 63.759 1.00 0.00 WT2 O ATOM 31709 H1 TIP3 5062 26.962 57.680 64.170 1.00 0.00 WT2 H ATOM 31710 H2 TIP3 5062 25.581 57.061 64.209 1.00 0.00 WT2 H ATOM 31711 OH2 TIP3 5063 86.604 42.625 -2.337 1.00 0.00 WT2 O ATOM 31712 H1 TIP3 5063 85.837 42.736 -1.773 1.00 0.00 WT2 H ATOM 31713 H2 TIP3 5063 87.290 43.140 -1.912 1.00 0.00 WT2 H ATOM 31714 OH2 TIP3 5064 43.865 73.752 61.505 1.00 0.00 WT2 O ATOM 31715 H1 TIP3 5064 43.783 72.817 61.692 1.00 0.00 WT2 H ATOM 31716 H2 TIP3 5064 44.687 73.829 61.019 1.00 0.00 WT2 H ATOM 31717 OH2 TIP3 5067 33.371 8.904 39.886 1.00 0.00 WT2 O ATOM 31718 H1 TIP3 5067 32.919 9.299 39.140 1.00 0.00 WT2 H ATOM 31719 H2 TIP3 5067 34.179 8.548 39.515 1.00 0.00 WT2 H ATOM 31720 OH2 TIP3 5068 84.032 27.360 29.284 1.00 0.00 WT2 O ATOM 31721 H1 TIP3 5068 84.490 26.709 29.816 1.00 0.00 WT2 H ATOM 31722 H2 TIP3 5068 84.724 27.940 28.966 1.00 0.00 WT2 H ATOM 31723 OH2 TIP3 5069 20.660 27.880 16.183 1.00 0.00 WT2 O ATOM 31724 H1 TIP3 5069 20.223 27.627 16.996 1.00 0.00 WT2 H ATOM 31725 H2 TIP3 5069 19.952 27.959 15.544 1.00 0.00 WT2 H ATOM 31726 OH2 TIP3 5085 52.902 41.062 55.578 1.00 0.00 WT2 O ATOM 31727 H1 TIP3 5085 52.670 41.950 55.306 1.00 0.00 WT2 H ATOM 31728 H2 TIP3 5085 53.159 40.622 54.768 1.00 0.00 WT2 H ATOM 31729 OH2 TIP3 5088 23.786 65.419 37.048 1.00 0.00 WT2 O ATOM 31730 H1 TIP3 5088 24.688 65.581 36.773 1.00 0.00 WT2 H ATOM 31731 H2 TIP3 5088 23.259 65.999 36.499 1.00 0.00 WT2 H ATOM 31732 OH2 TIP3 5090 89.965 82.505 12.908 1.00 0.00 WT2 O ATOM 31733 H1 TIP3 5090 89.744 81.936 13.645 1.00 0.00 WT2 H ATOM 31734 H2 TIP3 5090 89.377 82.227 12.206 1.00 0.00 WT2 H ATOM 31735 OH2 TIP3 5091 58.256 47.435 66.910 1.00 0.00 WT2 O ATOM 31736 H1 TIP3 5091 59.036 47.989 66.893 1.00 0.00 WT2 H ATOM 31737 H2 TIP3 5091 57.822 47.605 66.074 1.00 0.00 WT2 H ATOM 31738 OH2 TIP3 5097 41.919 69.184 57.860 1.00 0.00 WT2 O ATOM 31739 H1 TIP3 5097 41.512 70.010 58.118 1.00 0.00 WT2 H ATOM 31740 H2 TIP3 5097 42.173 69.316 56.946 1.00 0.00 WT2 H ATOM 31741 OH2 TIP3 5104 29.601 14.556 41.618 1.00 0.00 WT2 O ATOM 31742 H1 TIP3 5104 28.757 14.606 41.170 1.00 0.00 WT2 H ATOM 31743 H2 TIP3 5104 29.400 14.159 42.466 1.00 0.00 WT2 H ATOM 31744 OH2 TIP3 5106 34.432 38.294 61.135 1.00 0.00 WT2 O ATOM 31745 H1 TIP3 5106 34.056 37.583 61.653 1.00 0.00 WT2 H ATOM 31746 H2 TIP3 5106 34.442 39.045 61.729 1.00 0.00 WT2 H ATOM 31747 OH2 TIP3 5108 89.265 11.069 -17.445 1.00 0.00 WT2 O ATOM 31748 H1 TIP3 5108 89.601 10.424 -18.068 1.00 0.00 WT2 H ATOM 31749 H2 TIP3 5108 88.403 11.306 -17.787 1.00 0.00 WT2 H ATOM 31750 OH2 TIP3 5109 56.813 14.958 28.458 1.00 0.00 WT2 O ATOM 31751 H1 TIP3 5109 56.084 15.513 28.182 1.00 0.00 WT2 H ATOM 31752 H2 TIP3 5109 56.436 14.081 28.521 1.00 0.00 WT2 H ATOM 31753 OH2 TIP3 5110 45.694 13.869 31.049 1.00 0.00 WT2 O ATOM 31754 H1 TIP3 5110 45.596 13.025 30.609 1.00 0.00 WT2 H ATOM 31755 H2 TIP3 5110 46.267 14.375 30.474 1.00 0.00 WT2 H ATOM 31756 OH2 TIP3 5111 40.492 49.668 59.157 1.00 0.00 WT2 O ATOM 31757 H1 TIP3 5111 40.063 49.886 58.330 1.00 0.00 WT2 H ATOM 31758 H2 TIP3 5111 40.806 50.508 59.493 1.00 0.00 WT2 H ATOM 31759 OH2 TIP3 5126 50.560 1.342 26.820 1.00 0.00 WT2 O ATOM 31760 H1 TIP3 5126 50.420 2.226 26.479 1.00 0.00 WT2 H ATOM 31761 H2 TIP3 5126 50.817 0.828 26.055 1.00 0.00 WT2 H ATOM 31762 OH2 TIP3 5127 41.256 42.456 4.188 1.00 0.00 WT2 O ATOM 31763 H1 TIP3 5127 41.337 42.458 5.142 1.00 0.00 WT2 H ATOM 31764 H2 TIP3 5127 40.525 41.864 4.010 1.00 0.00 WT2 H ATOM 31765 OH2 TIP3 5128 81.210 12.953 59.457 1.00 0.00 WT2 O ATOM 31766 H1 TIP3 5128 80.581 13.170 58.768 1.00 0.00 WT2 H ATOM 31767 H2 TIP3 5128 81.922 13.581 59.338 1.00 0.00 WT2 H ATOM 31768 OH2 TIP3 5129 89.485 37.319 14.591 1.00 0.00 WT2 O ATOM 31769 H1 TIP3 5129 89.011 36.789 13.950 1.00 0.00 WT2 H ATOM 31770 H2 TIP3 5129 88.878 38.024 14.816 1.00 0.00 WT2 H ATOM 31771 OH2 TIP3 5130 21.323 32.281 58.189 1.00 0.00 WT2 O ATOM 31772 H1 TIP3 5130 21.299 31.357 57.940 1.00 0.00 WT2 H ATOM 31773 H2 TIP3 5130 21.895 32.308 58.956 1.00 0.00 WT2 H ATOM 31774 OH2 TIP3 5131 39.671 48.454 -1.899 1.00 0.00 WT2 O ATOM 31775 H1 TIP3 5131 40.008 48.978 -1.173 1.00 0.00 WT2 H ATOM 31776 H2 TIP3 5131 40.250 47.692 -1.935 1.00 0.00 WT2 H ATOM 31777 OH2 TIP3 5132 23.217 55.159 25.355 1.00 0.00 WT2 O ATOM 31778 H1 TIP3 5132 23.756 55.679 24.758 1.00 0.00 WT2 H ATOM 31779 H2 TIP3 5132 22.318 55.416 25.151 1.00 0.00 WT2 H ATOM 31780 OH2 TIP3 5133 50.842 67.609 -14.917 1.00 0.00 WT2 O ATOM 31781 H1 TIP3 5133 50.558 68.502 -14.724 1.00 0.00 WT2 H ATOM 31782 H2 TIP3 5133 51.564 67.450 -14.309 1.00 0.00 WT2 H ATOM 31783 OH2 TIP3 5134 25.494 20.909 3.528 1.00 0.00 WT2 O ATOM 31784 H1 TIP3 5134 25.346 21.827 3.753 1.00 0.00 WT2 H ATOM 31785 H2 TIP3 5134 26.181 20.622 4.130 1.00 0.00 WT2 H ATOM 31786 OH2 TIP3 5146 50.509 44.104 40.529 1.00 0.00 WT2 O ATOM 31787 H1 TIP3 5146 50.532 44.605 39.714 1.00 0.00 WT2 H ATOM 31788 H2 TIP3 5146 49.984 43.331 40.320 1.00 0.00 WT2 H ATOM 31789 OH2 TIP3 5148 62.447 59.440 64.343 1.00 0.00 WT2 O ATOM 31790 H1 TIP3 5148 62.181 59.925 63.562 1.00 0.00 WT2 H ATOM 31791 H2 TIP3 5148 63.295 59.815 64.581 1.00 0.00 WT2 H ATOM 31792 OH2 TIP3 5149 73.087 26.767 66.631 1.00 0.00 WT2 O ATOM 31793 H1 TIP3 5149 73.322 26.435 65.764 1.00 0.00 WT2 H ATOM 31794 H2 TIP3 5149 72.421 27.433 66.460 1.00 0.00 WT2 H ATOM 31795 OH2 TIP3 5151 35.773 4.387 47.424 1.00 0.00 WT2 O ATOM 31796 H1 TIP3 5151 36.549 4.896 47.188 1.00 0.00 WT2 H ATOM 31797 H2 TIP3 5151 35.555 3.899 46.630 1.00 0.00 WT2 H ATOM 31798 OH2 TIP3 5152 72.796 52.481 7.253 1.00 0.00 WT2 O ATOM 31799 H1 TIP3 5152 72.104 51.887 7.546 1.00 0.00 WT2 H ATOM 31800 H2 TIP3 5152 73.149 52.855 8.060 1.00 0.00 WT2 H ATOM 31801 OH2 TIP3 5156 46.917 93.848 49.737 1.00 0.00 WT2 O ATOM 31802 H1 TIP3 5156 47.830 94.017 49.502 1.00 0.00 WT2 H ATOM 31803 H2 TIP3 5156 46.747 92.962 49.417 1.00 0.00 WT2 H ATOM 31804 OH2 TIP3 5162 56.728 93.416 -0.254 1.00 0.00 WT2 O ATOM 31805 H1 TIP3 5162 56.097 92.712 -0.403 1.00 0.00 WT2 H ATOM 31806 H2 TIP3 5162 57.129 93.204 0.589 1.00 0.00 WT2 H ATOM 31807 OH2 TIP3 5164 39.546 20.887 -14.968 1.00 0.00 WT2 O ATOM 31808 H1 TIP3 5164 39.045 20.213 -14.508 1.00 0.00 WT2 H ATOM 31809 H2 TIP3 5164 39.423 20.685 -15.896 1.00 0.00 WT2 H ATOM 31810 OH2 TIP3 5165 78.944 31.686 32.536 1.00 0.00 WT2 O ATOM 31811 H1 TIP3 5165 79.446 32.436 32.218 1.00 0.00 WT2 H ATOM 31812 H2 TIP3 5165 78.936 31.789 33.488 1.00 0.00 WT2 H ATOM 31813 OH2 TIP3 5166 33.634 11.688 0.904 1.00 0.00 WT2 O ATOM 31814 H1 TIP3 5166 34.428 11.177 1.060 1.00 0.00 WT2 H ATOM 31815 H2 TIP3 5166 33.906 12.597 1.025 1.00 0.00 WT2 H ATOM 31816 OH2 TIP3 5172 50.831 33.505 52.082 1.00 0.00 WT2 O ATOM 31817 H1 TIP3 5172 51.758 33.558 51.852 1.00 0.00 WT2 H ATOM 31818 H2 TIP3 5172 50.788 32.822 52.751 1.00 0.00 WT2 H ATOM 31819 OH2 TIP3 5173 72.502 35.234 -1.674 1.00 0.00 WT2 O ATOM 31820 H1 TIP3 5173 72.831 34.889 -2.504 1.00 0.00 WT2 H ATOM 31821 H2 TIP3 5173 72.911 34.684 -1.006 1.00 0.00 WT2 H ATOM 31822 OH2 TIP3 5186 56.376 72.490 55.900 1.00 0.00 WT2 O ATOM 31823 H1 TIP3 5186 56.145 71.566 55.805 1.00 0.00 WT2 H ATOM 31824 H2 TIP3 5186 55.542 72.954 55.822 1.00 0.00 WT2 H ATOM 31825 OH2 TIP3 5189 61.576 46.313 1.468 1.00 0.00 WT2 O ATOM 31826 H1 TIP3 5189 61.548 47.049 2.079 1.00 0.00 WT2 H ATOM 31827 H2 TIP3 5189 61.717 45.546 2.024 1.00 0.00 WT2 H ATOM 31828 OH2 TIP3 5190 23.787 29.123 -13.708 1.00 0.00 WT2 O ATOM 31829 H1 TIP3 5190 24.514 28.668 -13.283 1.00 0.00 WT2 H ATOM 31830 H2 TIP3 5190 23.931 30.048 -13.505 1.00 0.00 WT2 H ATOM 31831 OH2 TIP3 5191 51.498 10.079 49.408 1.00 0.00 WT2 O ATOM 31832 H1 TIP3 5191 51.645 9.276 49.907 1.00 0.00 WT2 H ATOM 31833 H2 TIP3 5191 50.674 10.426 49.750 1.00 0.00 WT2 H ATOM 31834 OH2 TIP3 5193 28.596 55.199 -9.513 1.00 0.00 WT2 O ATOM 31835 H1 TIP3 5193 28.996 54.510 -8.981 1.00 0.00 WT2 H ATOM 31836 H2 TIP3 5193 29.061 55.158 -10.348 1.00 0.00 WT2 H ATOM 31837 OH2 TIP3 5194 89.714 39.078 -3.940 1.00 0.00 WT2 O ATOM 31838 H1 TIP3 5194 90.382 39.523 -3.418 1.00 0.00 WT2 H ATOM 31839 H2 TIP3 5194 89.307 39.776 -4.454 1.00 0.00 WT2 H ATOM 31840 OH2 TIP3 5206 45.292 42.636 54.159 1.00 0.00 WT2 O ATOM 31841 H1 TIP3 5206 45.955 42.289 54.756 1.00 0.00 WT2 H ATOM 31842 H2 TIP3 5206 45.522 43.559 54.053 1.00 0.00 WT2 H ATOM 31843 OH2 TIP3 5211 86.485 64.129 -5.246 1.00 0.00 WT2 O ATOM 31844 H1 TIP3 5211 86.678 63.291 -4.824 1.00 0.00 WT2 H ATOM 31845 H2 TIP3 5211 86.399 63.915 -6.175 1.00 0.00 WT2 H ATOM 31846 OH2 TIP3 5214 44.403 49.238 49.304 1.00 0.00 WT2 O ATOM 31847 H1 TIP3 5214 45.074 49.888 49.097 1.00 0.00 WT2 H ATOM 31848 H2 TIP3 5214 43.577 49.666 49.079 1.00 0.00 WT2 H ATOM 31849 OH2 TIP3 5216 87.572 43.572 48.481 1.00 0.00 WT2 O ATOM 31850 H1 TIP3 5216 86.941 42.922 48.787 1.00 0.00 WT2 H ATOM 31851 H2 TIP3 5216 87.538 44.268 49.138 1.00 0.00 WT2 H ATOM 31852 OH2 TIP3 5230 48.534 55.510 50.600 1.00 0.00 WT2 O ATOM 31853 H1 TIP3 5230 48.627 55.644 49.657 1.00 0.00 WT2 H ATOM 31854 H2 TIP3 5230 48.369 56.384 50.952 1.00 0.00 WT2 H ATOM 31855 OH2 TIP3 5231 73.595 24.306 -6.295 1.00 0.00 WT2 O ATOM 31856 H1 TIP3 5231 73.564 25.113 -5.781 1.00 0.00 WT2 H ATOM 31857 H2 TIP3 5231 73.332 24.573 -7.176 1.00 0.00 WT2 H ATOM 31858 OH2 TIP3 5232 75.194 53.238 -2.845 1.00 0.00 WT2 O ATOM 31859 H1 TIP3 5232 74.246 53.144 -2.943 1.00 0.00 WT2 H ATOM 31860 H2 TIP3 5232 75.304 54.046 -2.343 1.00 0.00 WT2 H ATOM 31861 OH2 TIP3 5234 48.449 15.535 -9.800 1.00 0.00 WT2 O ATOM 31862 H1 TIP3 5234 47.974 16.248 -10.226 1.00 0.00 WT2 H ATOM 31863 H2 TIP3 5234 48.266 15.647 -8.867 1.00 0.00 WT2 H ATOM 31864 OH2 TIP3 5235 80.520 72.820 37.169 1.00 0.00 WT2 O ATOM 31865 H1 TIP3 5235 80.424 71.923 36.850 1.00 0.00 WT2 H ATOM 31866 H2 TIP3 5235 80.136 73.362 36.480 1.00 0.00 WT2 H ATOM 31867 OH2 TIP3 5239 70.170 17.985 52.354 1.00 0.00 WT2 O ATOM 31868 H1 TIP3 5239 70.155 17.780 51.420 1.00 0.00 WT2 H ATOM 31869 H2 TIP3 5239 70.915 17.492 52.696 1.00 0.00 WT2 H ATOM 31870 OH2 TIP3 5241 60.384 56.134 64.184 1.00 0.00 WT2 O ATOM 31871 H1 TIP3 5241 61.312 56.105 63.951 1.00 0.00 WT2 H ATOM 31872 H2 TIP3 5241 60.075 56.969 63.834 1.00 0.00 WT2 H ATOM 31873 OH2 TIP3 5251 41.525 6.742 20.983 1.00 0.00 WT2 O ATOM 31874 H1 TIP3 5251 42.151 6.493 21.663 1.00 0.00 WT2 H ATOM 31875 H2 TIP3 5251 41.330 5.924 20.525 1.00 0.00 WT2 H ATOM 31876 OH2 TIP3 5253 90.225 87.918 18.096 1.00 0.00 WT2 O ATOM 31877 H1 TIP3 5253 89.894 88.754 18.426 1.00 0.00 WT2 H ATOM 31878 H2 TIP3 5253 90.853 87.630 18.759 1.00 0.00 WT2 H ATOM 31879 OH2 TIP3 5255 81.322 65.202 -13.027 1.00 0.00 WT2 O ATOM 31880 H1 TIP3 5255 80.843 64.756 -12.328 1.00 0.00 WT2 H ATOM 31881 H2 TIP3 5255 82.175 64.770 -13.046 1.00 0.00 WT2 H ATOM 31882 OH2 TIP3 5256 51.860 72.454 65.518 1.00 0.00 WT2 O ATOM 31883 H1 TIP3 5256 52.047 72.880 66.355 1.00 0.00 WT2 H ATOM 31884 H2 TIP3 5256 51.932 71.518 65.703 1.00 0.00 WT2 H ATOM 31885 OH2 TIP3 5259 48.798 92.136 -2.096 1.00 0.00 WT2 O ATOM 31886 H1 TIP3 5259 49.316 92.044 -1.296 1.00 0.00 WT2 H ATOM 31887 H2 TIP3 5259 49.186 91.510 -2.707 1.00 0.00 WT2 H ATOM 31888 OH2 TIP3 5260 59.857 4.574 7.088 1.00 0.00 WT2 O ATOM 31889 H1 TIP3 5260 60.104 4.930 7.942 1.00 0.00 WT2 H ATOM 31890 H2 TIP3 5260 60.498 4.941 6.480 1.00 0.00 WT2 H ATOM 31891 OH2 TIP3 5271 29.580 81.955 54.794 1.00 0.00 WT2 O ATOM 31892 H1 TIP3 5271 29.840 81.380 55.513 1.00 0.00 WT2 H ATOM 31893 H2 TIP3 5271 29.495 81.372 54.039 1.00 0.00 WT2 H ATOM 31894 OH2 TIP3 5272 43.519 16.708 28.724 1.00 0.00 WT2 O ATOM 31895 H1 TIP3 5272 43.305 16.985 27.833 1.00 0.00 WT2 H ATOM 31896 H2 TIP3 5272 44.323 16.197 28.629 1.00 0.00 WT2 H ATOM 31897 OH2 TIP3 5274 40.265 40.573 25.222 1.00 0.00 WT2 O ATOM 31898 H1 TIP3 5274 40.495 41.490 25.066 1.00 0.00 WT2 H ATOM 31899 H2 TIP3 5274 40.836 40.079 24.633 1.00 0.00 WT2 H ATOM 31900 OH2 TIP3 5277 20.663 21.772 43.731 1.00 0.00 WT2 O ATOM 31901 H1 TIP3 5277 19.719 21.693 43.595 1.00 0.00 WT2 H ATOM 31902 H2 TIP3 5277 21.015 20.920 43.472 1.00 0.00 WT2 H ATOM 31903 OH2 TIP3 5278 82.732 85.088 53.129 1.00 0.00 WT2 O ATOM 31904 H1 TIP3 5278 83.332 84.469 52.711 1.00 0.00 WT2 H ATOM 31905 H2 TIP3 5278 82.224 84.554 53.740 1.00 0.00 WT2 H ATOM 31906 OH2 TIP3 5279 67.458 36.394 20.646 1.00 0.00 WT2 O ATOM 31907 H1 TIP3 5279 67.202 36.754 21.495 1.00 0.00 WT2 H ATOM 31908 H2 TIP3 5279 66.712 36.573 20.074 1.00 0.00 WT2 H ATOM 31909 OH2 TIP3 5293 64.550 2.484 46.555 1.00 0.00 WT2 O ATOM 31910 H1 TIP3 5293 64.597 1.729 45.969 1.00 0.00 WT2 H ATOM 31911 H2 TIP3 5293 65.380 2.943 46.423 1.00 0.00 WT2 H ATOM 31912 OH2 TIP3 5294 47.355 72.742 -0.986 1.00 0.00 WT2 O ATOM 31913 H1 TIP3 5294 48.191 72.731 -0.520 1.00 0.00 WT2 H ATOM 31914 H2 TIP3 5294 46.825 72.077 -0.545 1.00 0.00 WT2 H ATOM 31915 OH2 TIP3 5295 86.706 22.092 -11.558 1.00 0.00 WT2 O ATOM 31916 H1 TIP3 5295 87.116 22.708 -10.951 1.00 0.00 WT2 H ATOM 31917 H2 TIP3 5295 85.783 22.344 -11.568 1.00 0.00 WT2 H ATOM 31918 OH2 TIP3 5296 67.085 85.271 53.732 1.00 0.00 WT2 O ATOM 31919 H1 TIP3 5296 67.813 84.759 54.086 1.00 0.00 WT2 H ATOM 31920 H2 TIP3 5296 66.592 84.649 53.197 1.00 0.00 WT2 H ATOM 31921 OH2 TIP3 5297 85.738 77.068 -9.646 1.00 0.00 WT2 O ATOM 31922 H1 TIP3 5297 85.049 77.607 -9.257 1.00 0.00 WT2 H ATOM 31923 H2 TIP3 5297 86.502 77.643 -9.680 1.00 0.00 WT2 H ATOM 31924 OH2 TIP3 5300 46.777 3.671 20.804 1.00 0.00 WT2 O ATOM 31925 H1 TIP3 5300 46.037 3.096 21.004 1.00 0.00 WT2 H ATOM 31926 H2 TIP3 5300 46.401 4.366 20.265 1.00 0.00 WT2 H ATOM 31927 OH2 TIP3 5301 25.825 65.675 -7.463 1.00 0.00 WT2 O ATOM 31928 H1 TIP3 5301 26.280 65.883 -6.647 1.00 0.00 WT2 H ATOM 31929 H2 TIP3 5301 25.615 64.744 -7.390 1.00 0.00 WT2 H ATOM 31930 OH2 TIP3 5304 39.613 10.705 2.867 1.00 0.00 WT2 O ATOM 31931 H1 TIP3 5304 39.164 11.546 2.951 1.00 0.00 WT2 H ATOM 31932 H2 TIP3 5304 38.995 10.149 2.393 1.00 0.00 WT2 H ATOM 31933 OH2 TIP3 5315 86.131 48.867 46.639 1.00 0.00 WT2 O ATOM 31934 H1 TIP3 5315 86.789 48.412 47.166 1.00 0.00 WT2 H ATOM 31935 H2 TIP3 5315 85.713 49.474 47.250 1.00 0.00 WT2 H ATOM 31936 OH2 TIP3 5317 52.527 9.342 13.137 1.00 0.00 WT2 O ATOM 31937 H1 TIP3 5317 53.386 9.734 12.979 1.00 0.00 WT2 H ATOM 31938 H2 TIP3 5317 52.572 8.487 12.710 1.00 0.00 WT2 H ATOM 31939 OH2 TIP3 5318 32.185 94.082 -14.639 1.00 0.00 WT2 O ATOM 31940 H1 TIP3 5318 32.830 94.361 -15.290 1.00 0.00 WT2 H ATOM 31941 H2 TIP3 5318 32.333 93.141 -14.543 1.00 0.00 WT2 H ATOM 31942 OH2 TIP3 5319 30.675 5.933 66.923 1.00 0.00 WT2 O ATOM 31943 H1 TIP3 5319 29.861 6.061 67.412 1.00 0.00 WT2 H ATOM 31944 H2 TIP3 5319 30.421 6.033 66.005 1.00 0.00 WT2 H ATOM 31945 OH2 TIP3 5320 28.219 58.400 65.230 1.00 0.00 WT2 O ATOM 31946 H1 TIP3 5320 28.887 58.049 65.820 1.00 0.00 WT2 H ATOM 31947 H2 TIP3 5320 28.714 58.878 64.565 1.00 0.00 WT2 H ATOM 31948 OH2 TIP3 5335 24.567 36.134 57.288 1.00 0.00 WT2 O ATOM 31949 H1 TIP3 5335 25.421 36.472 57.019 1.00 0.00 WT2 H ATOM 31950 H2 TIP3 5335 24.018 36.218 56.508 1.00 0.00 WT2 H ATOM 31951 OH2 TIP3 5336 54.869 65.331 -19.505 1.00 0.00 WT2 O ATOM 31952 H1 TIP3 5336 54.930 66.189 -19.924 1.00 0.00 WT2 H ATOM 31953 H2 TIP3 5336 54.358 64.801 -20.116 1.00 0.00 WT2 H ATOM 31954 OH2 TIP3 5339 46.498 78.677 33.218 1.00 0.00 WT2 O ATOM 31955 H1 TIP3 5339 47.071 77.965 33.503 1.00 0.00 WT2 H ATOM 31956 H2 TIP3 5339 45.755 78.236 32.806 1.00 0.00 WT2 H ATOM 31957 OH2 TIP3 5340 83.085 93.933 -17.523 1.00 0.00 WT2 O ATOM 31958 H1 TIP3 5340 83.836 94.527 -17.519 1.00 0.00 WT2 H ATOM 31959 H2 TIP3 5340 83.471 93.058 -17.568 1.00 0.00 WT2 H ATOM 31960 OH2 TIP3 5341 46.627 14.337 52.303 1.00 0.00 WT2 O ATOM 31961 H1 TIP3 5341 47.539 14.162 52.073 1.00 0.00 WT2 H ATOM 31962 H2 TIP3 5341 46.306 14.901 51.599 1.00 0.00 WT2 H ATOM 31963 OH2 TIP3 5355 45.390 69.547 34.743 1.00 0.00 WT2 O ATOM 31964 H1 TIP3 5355 45.785 69.018 34.050 1.00 0.00 WT2 H ATOM 31965 H2 TIP3 5355 46.132 69.858 35.261 1.00 0.00 WT2 H ATOM 31966 OH2 TIP3 5356 63.385 23.960 25.142 1.00 0.00 WT2 O ATOM 31967 H1 TIP3 5356 63.031 23.741 26.004 1.00 0.00 WT2 H ATOM 31968 H2 TIP3 5356 62.707 24.499 24.734 1.00 0.00 WT2 H ATOM 31969 OH2 TIP3 5357 63.381 53.998 58.579 1.00 0.00 WT2 O ATOM 31970 H1 TIP3 5357 62.652 53.433 58.325 1.00 0.00 WT2 H ATOM 31971 H2 TIP3 5357 63.114 54.874 58.300 1.00 0.00 WT2 H ATOM 31972 OH2 TIP3 5358 70.243 48.017 27.093 1.00 0.00 WT2 O ATOM 31973 H1 TIP3 5358 70.348 47.614 26.231 1.00 0.00 WT2 H ATOM 31974 H2 TIP3 5358 69.326 47.865 27.319 1.00 0.00 WT2 H ATOM 31975 OH2 TIP3 5359 69.797 91.388 5.472 1.00 0.00 WT2 O ATOM 31976 H1 TIP3 5359 70.330 90.695 5.082 1.00 0.00 WT2 H ATOM 31977 H2 TIP3 5359 68.988 90.949 5.734 1.00 0.00 WT2 H ATOM 31978 OH2 TIP3 5360 31.218 16.212 -19.768 1.00 0.00 WT2 O ATOM 31979 H1 TIP3 5360 31.699 17.015 -19.568 1.00 0.00 WT2 H ATOM 31980 H2 TIP3 5360 30.329 16.508 -19.966 1.00 0.00 WT2 H ATOM 31981 OH2 TIP3 5364 32.863 26.599 43.551 1.00 0.00 WT2 O ATOM 31982 H1 TIP3 5364 33.117 25.872 42.983 1.00 0.00 WT2 H ATOM 31983 H2 TIP3 5364 33.312 27.360 43.182 1.00 0.00 WT2 H ATOM 31984 OH2 TIP3 5375 74.964 26.071 49.378 1.00 0.00 WT2 O ATOM 31985 H1 TIP3 5375 75.563 26.377 48.697 1.00 0.00 WT2 H ATOM 31986 H2 TIP3 5375 75.534 25.826 50.107 1.00 0.00 WT2 H ATOM 31987 OH2 TIP3 5377 62.720 84.260 2.060 1.00 0.00 WT2 O ATOM 31988 H1 TIP3 5377 62.031 84.811 2.432 1.00 0.00 WT2 H ATOM 31989 H2 TIP3 5377 62.627 83.421 2.512 1.00 0.00 WT2 H ATOM 31990 OH2 TIP3 5378 28.483 5.022 37.666 1.00 0.00 WT2 O ATOM 31991 H1 TIP3 5378 27.783 5.225 38.286 1.00 0.00 WT2 H ATOM 31992 H2 TIP3 5378 28.028 4.808 36.851 1.00 0.00 WT2 H ATOM 31993 OH2 TIP3 5379 39.716 30.347 41.128 1.00 0.00 WT2 O ATOM 31994 H1 TIP3 5379 39.657 31.269 41.378 1.00 0.00 WT2 H ATOM 31995 H2 TIP3 5379 39.806 30.362 40.175 1.00 0.00 WT2 H ATOM 31996 OH2 TIP3 5380 46.681 44.672 65.934 1.00 0.00 WT2 O ATOM 31997 H1 TIP3 5380 46.951 43.858 66.358 1.00 0.00 WT2 H ATOM 31998 H2 TIP3 5380 46.624 44.453 65.005 1.00 0.00 WT2 H ATOM 31999 OH2 TIP3 5381 43.189 93.973 60.898 1.00 0.00 WT2 O ATOM 32000 H1 TIP3 5381 42.995 93.903 59.963 1.00 0.00 WT2 H ATOM 32001 H2 TIP3 5381 42.876 93.149 61.270 1.00 0.00 WT2 H ATOM 32002 OH2 TIP3 5382 87.769 68.917 55.365 1.00 0.00 WT2 O ATOM 32003 H1 TIP3 5382 87.611 68.041 55.716 1.00 0.00 WT2 H ATOM 32004 H2 TIP3 5382 88.397 68.781 54.656 1.00 0.00 WT2 H ATOM 32005 OH2 TIP3 5383 26.465 17.228 48.512 1.00 0.00 WT2 O ATOM 32006 H1 TIP3 5383 25.710 16.905 48.021 1.00 0.00 WT2 H ATOM 32007 H2 TIP3 5383 26.898 17.837 47.913 1.00 0.00 WT2 H ATOM 32008 OH2 TIP3 5384 62.296 37.949 48.580 1.00 0.00 WT2 O ATOM 32009 H1 TIP3 5384 62.840 37.821 49.357 1.00 0.00 WT2 H ATOM 32010 H2 TIP3 5384 62.454 37.170 48.046 1.00 0.00 WT2 H ATOM 32011 OH2 TIP3 5385 85.314 31.389 29.501 1.00 0.00 WT2 O ATOM 32012 H1 TIP3 5385 84.771 32.117 29.201 1.00 0.00 WT2 H ATOM 32013 H2 TIP3 5385 84.770 30.930 30.140 1.00 0.00 WT2 H ATOM 32014 OH2 TIP3 5393 42.836 10.139 35.047 1.00 0.00 WT2 O ATOM 32015 H1 TIP3 5393 43.228 9.927 34.200 1.00 0.00 WT2 H ATOM 32016 H2 TIP3 5393 41.937 10.394 34.839 1.00 0.00 WT2 H ATOM 32017 OH2 TIP3 5396 74.263 82.544 49.966 1.00 0.00 WT2 O ATOM 32018 H1 TIP3 5396 74.704 82.845 49.172 1.00 0.00 WT2 H ATOM 32019 H2 TIP3 5396 74.662 81.695 50.155 1.00 0.00 WT2 H ATOM 32020 OH2 TIP3 5399 35.956 86.301 64.454 1.00 0.00 WT2 O ATOM 32021 H1 TIP3 5399 36.305 85.679 63.815 1.00 0.00 WT2 H ATOM 32022 H2 TIP3 5399 35.114 86.573 64.089 1.00 0.00 WT2 H ATOM 32023 OH2 TIP3 5400 46.981 10.627 8.096 1.00 0.00 WT2 O ATOM 32024 H1 TIP3 5400 47.043 11.273 8.800 1.00 0.00 WT2 H ATOM 32025 H2 TIP3 5400 46.116 10.773 7.712 1.00 0.00 WT2 H ATOM 32026 OH2 TIP3 5402 86.302 12.120 66.115 1.00 0.00 WT2 O ATOM 32027 H1 TIP3 5402 86.616 11.982 67.009 1.00 0.00 WT2 H ATOM 32028 H2 TIP3 5402 85.749 11.360 65.934 1.00 0.00 WT2 H ATOM 32029 OH2 TIP3 5404 33.021 75.272 66.036 1.00 0.00 WT2 O ATOM 32030 H1 TIP3 5404 33.557 74.789 66.664 1.00 0.00 WT2 H ATOM 32031 H2 TIP3 5404 33.560 75.318 65.246 1.00 0.00 WT2 H ATOM 32032 OH2 TIP3 5418 37.353 9.851 9.673 1.00 0.00 WT2 O ATOM 32033 H1 TIP3 5418 36.531 9.948 10.154 1.00 0.00 WT2 H ATOM 32034 H2 TIP3 5418 37.781 9.097 10.079 1.00 0.00 WT2 H ATOM 32035 OH2 TIP3 5419 41.426 20.755 12.841 1.00 0.00 WT2 O ATOM 32036 H1 TIP3 5419 41.307 20.059 12.195 1.00 0.00 WT2 H ATOM 32037 H2 TIP3 5419 42.354 20.713 13.072 1.00 0.00 WT2 H ATOM 32038 OH2 TIP3 5420 85.488 89.761 -10.330 1.00 0.00 WT2 O ATOM 32039 H1 TIP3 5420 85.133 89.068 -10.886 1.00 0.00 WT2 H ATOM 32040 H2 TIP3 5420 84.717 90.187 -9.956 1.00 0.00 WT2 H ATOM 32041 OH2 TIP3 5421 24.133 21.985 -19.812 1.00 0.00 WT2 O ATOM 32042 H1 TIP3 5421 24.716 22.323 -19.132 1.00 0.00 WT2 H ATOM 32043 H2 TIP3 5421 24.628 22.088 -20.625 1.00 0.00 WT2 H ATOM 32044 OH2 TIP3 5422 77.345 38.379 23.637 1.00 0.00 WT2 O ATOM 32045 H1 TIP3 5422 77.290 38.993 22.905 1.00 0.00 WT2 H ATOM 32046 H2 TIP3 5422 76.452 38.052 23.745 1.00 0.00 WT2 H ATOM 32047 OH2 TIP3 5426 61.686 34.766 6.017 1.00 0.00 WT2 O ATOM 32048 H1 TIP3 5426 62.273 35.403 6.424 1.00 0.00 WT2 H ATOM 32049 H2 TIP3 5426 60.866 34.852 6.503 1.00 0.00 WT2 H ATOM 32050 OH2 TIP3 5430 61.291 20.308 49.869 1.00 0.00 WT2 O ATOM 32051 H1 TIP3 5430 61.751 20.380 49.033 1.00 0.00 WT2 H ATOM 32052 H2 TIP3 5430 60.388 20.100 49.629 1.00 0.00 WT2 H ATOM 32053 OH2 TIP3 5434 31.022 59.613 6.813 1.00 0.00 WT2 O ATOM 32054 H1 TIP3 5434 31.809 60.090 7.078 1.00 0.00 WT2 H ATOM 32055 H2 TIP3 5434 31.342 58.751 6.546 1.00 0.00 WT2 H ATOM 32056 OH2 TIP3 5440 57.642 75.888 48.517 1.00 0.00 WT2 O ATOM 32057 H1 TIP3 5440 58.293 76.555 48.299 1.00 0.00 WT2 H ATOM 32058 H2 TIP3 5440 58.157 75.141 48.822 1.00 0.00 WT2 H ATOM 32059 OH2 TIP3 5442 59.631 11.459 -13.329 1.00 0.00 WT2 O ATOM 32060 H1 TIP3 5442 60.010 10.686 -13.747 1.00 0.00 WT2 H ATOM 32061 H2 TIP3 5442 59.182 11.118 -12.556 1.00 0.00 WT2 H ATOM 32062 OH2 TIP3 5443 75.747 77.719 -8.854 1.00 0.00 WT2 O ATOM 32063 H1 TIP3 5443 75.411 76.823 -8.839 1.00 0.00 WT2 H ATOM 32064 H2 TIP3 5443 74.974 78.267 -8.721 1.00 0.00 WT2 H ATOM 32065 OH2 TIP3 5444 33.302 53.450 23.163 1.00 0.00 WT2 O ATOM 32066 H1 TIP3 5444 32.646 53.950 22.677 1.00 0.00 WT2 H ATOM 32067 H2 TIP3 5444 34.001 53.290 22.529 1.00 0.00 WT2 H ATOM 32068 OH2 TIP3 5445 51.245 93.185 -9.815 1.00 0.00 WT2 O ATOM 32069 H1 TIP3 5445 50.459 93.453 -10.290 1.00 0.00 WT2 H ATOM 32070 H2 TIP3 5445 51.061 92.291 -9.529 1.00 0.00 WT2 H ATOM 32071 OH2 TIP3 5446 82.748 59.755 16.063 1.00 0.00 WT2 O ATOM 32072 H1 TIP3 5446 83.413 59.216 15.635 1.00 0.00 WT2 H ATOM 32073 H2 TIP3 5446 82.973 59.720 16.993 1.00 0.00 WT2 H ATOM 32074 OH2 TIP3 5460 68.396 38.522 40.458 1.00 0.00 WT2 O ATOM 32075 H1 TIP3 5460 69.024 39.199 40.711 1.00 0.00 WT2 H ATOM 32076 H2 TIP3 5460 67.552 38.852 40.765 1.00 0.00 WT2 H ATOM 32077 OH2 TIP3 5461 57.561 7.708 53.660 1.00 0.00 WT2 O ATOM 32078 H1 TIP3 5461 57.605 8.480 53.096 1.00 0.00 WT2 H ATOM 32079 H2 TIP3 5461 58.476 7.487 53.836 1.00 0.00 WT2 H ATOM 32080 OH2 TIP3 5462 65.111 11.215 47.333 1.00 0.00 WT2 O ATOM 32081 H1 TIP3 5462 64.699 10.718 46.626 1.00 0.00 WT2 H ATOM 32082 H2 TIP3 5462 64.776 12.105 47.228 1.00 0.00 WT2 H ATOM 32083 OH2 TIP3 5463 82.943 59.308 43.029 1.00 0.00 WT2 O ATOM 32084 H1 TIP3 5463 82.012 59.416 42.833 1.00 0.00 WT2 H ATOM 32085 H2 TIP3 5463 82.960 58.861 43.875 1.00 0.00 WT2 H ATOM 32086 OH2 TIP3 5464 69.531 40.421 37.606 1.00 0.00 WT2 O ATOM 32087 H1 TIP3 5464 69.839 39.596 37.232 1.00 0.00 WT2 H ATOM 32088 H2 TIP3 5464 69.896 41.095 37.032 1.00 0.00 WT2 H ATOM 32089 OH2 TIP3 5466 22.180 73.674 1.770 1.00 0.00 WT2 O ATOM 32090 H1 TIP3 5466 23.079 73.541 2.068 1.00 0.00 WT2 H ATOM 32091 H2 TIP3 5466 21.661 73.058 2.288 1.00 0.00 WT2 H ATOM 32092 OH2 TIP3 5481 24.187 91.747 61.085 1.00 0.00 WT2 O ATOM 32093 H1 TIP3 5481 24.150 92.627 61.458 1.00 0.00 WT2 H ATOM 32094 H2 TIP3 5481 24.607 91.864 60.234 1.00 0.00 WT2 H ATOM 32095 OH2 TIP3 5482 78.278 43.713 14.425 1.00 0.00 WT2 O ATOM 32096 H1 TIP3 5482 78.376 44.458 13.832 1.00 0.00 WT2 H ATOM 32097 H2 TIP3 5482 78.137 44.107 15.286 1.00 0.00 WT2 H ATOM 32098 OH2 TIP3 5483 80.221 41.323 35.961 1.00 0.00 WT2 O ATOM 32099 H1 TIP3 5483 80.270 41.366 35.006 1.00 0.00 WT2 H ATOM 32100 H2 TIP3 5483 81.068 40.966 36.229 1.00 0.00 WT2 H ATOM 32101 OH2 TIP3 5484 81.811 30.061 -10.146 1.00 0.00 WT2 O ATOM 32102 H1 TIP3 5484 81.966 29.118 -10.211 1.00 0.00 WT2 H ATOM 32103 H2 TIP3 5484 82.411 30.356 -9.461 1.00 0.00 WT2 H ATOM 32104 OH2 TIP3 5486 59.028 33.399 43.275 1.00 0.00 WT2 O ATOM 32105 H1 TIP3 5486 58.107 33.282 43.043 1.00 0.00 WT2 H ATOM 32106 H2 TIP3 5486 59.374 33.980 42.597 1.00 0.00 WT2 H ATOM 32107 OH2 TIP3 5487 72.581 17.667 -6.890 1.00 0.00 WT2 O ATOM 32108 H1 TIP3 5487 71.727 17.652 -6.458 1.00 0.00 WT2 H ATOM 32109 H2 TIP3 5487 72.405 18.032 -7.757 1.00 0.00 WT2 H ATOM 32110 OH2 TIP3 5488 75.957 26.077 3.606 1.00 0.00 WT2 O ATOM 32111 H1 TIP3 5488 75.582 26.293 4.459 1.00 0.00 WT2 H ATOM 32112 H2 TIP3 5488 76.890 25.951 3.778 1.00 0.00 WT2 H ATOM 32113 OH2 TIP3 5504 46.035 5.154 51.870 1.00 0.00 WT2 O ATOM 32114 H1 TIP3 5504 46.567 4.794 51.160 1.00 0.00 WT2 H ATOM 32115 H2 TIP3 5504 45.131 5.005 51.591 1.00 0.00 WT2 H ATOM 32116 OH2 TIP3 5505 81.591 72.879 -17.106 1.00 0.00 WT2 O ATOM 32117 H1 TIP3 5505 82.221 72.298 -17.533 1.00 0.00 WT2 H ATOM 32118 H2 TIP3 5505 80.985 73.128 -17.803 1.00 0.00 WT2 H ATOM 32119 OH2 TIP3 5506 67.538 64.357 28.341 1.00 0.00 WT2 O ATOM 32120 H1 TIP3 5506 67.467 65.211 28.768 1.00 0.00 WT2 H ATOM 32121 H2 TIP3 5506 66.699 64.241 27.897 1.00 0.00 WT2 H ATOM 32122 OH2 TIP3 5507 58.180 10.770 57.287 1.00 0.00 WT2 O ATOM 32123 H1 TIP3 5507 57.397 10.261 57.495 1.00 0.00 WT2 H ATOM 32124 H2 TIP3 5507 58.226 10.758 56.331 1.00 0.00 WT2 H ATOM 32125 OH2 TIP3 5510 27.862 40.706 30.484 1.00 0.00 WT2 O ATOM 32126 H1 TIP3 5510 27.983 41.631 30.700 1.00 0.00 WT2 H ATOM 32127 H2 TIP3 5510 28.730 40.406 30.216 1.00 0.00 WT2 H ATOM 32128 OH2 TIP3 5522 33.940 68.402 -2.939 1.00 0.00 WT2 O ATOM 32129 H1 TIP3 5522 34.307 69.145 -3.417 1.00 0.00 WT2 H ATOM 32130 H2 TIP3 5522 33.791 68.735 -2.054 1.00 0.00 WT2 H ATOM 32131 OH2 TIP3 5526 73.611 20.622 -9.051 1.00 0.00 WT2 O ATOM 32132 H1 TIP3 5526 74.116 20.553 -8.241 1.00 0.00 WT2 H ATOM 32133 H2 TIP3 5526 72.935 19.948 -8.971 1.00 0.00 WT2 H ATOM 32134 OH2 TIP3 5527 50.748 77.304 58.445 1.00 0.00 WT2 O ATOM 32135 H1 TIP3 5527 51.156 77.750 59.187 1.00 0.00 WT2 H ATOM 32136 H2 TIP3 5527 51.003 77.824 57.682 1.00 0.00 WT2 H ATOM 32137 OH2 TIP3 5528 31.917 48.111 4.401 1.00 0.00 WT2 O ATOM 32138 H1 TIP3 5528 32.334 48.412 3.593 1.00 0.00 WT2 H ATOM 32139 H2 TIP3 5528 32.595 47.602 4.846 1.00 0.00 WT2 H ATOM 32140 OH2 TIP3 5530 61.004 80.225 4.880 1.00 0.00 WT2 O ATOM 32141 H1 TIP3 5530 60.143 80.362 5.275 1.00 0.00 WT2 H ATOM 32142 H2 TIP3 5530 61.178 79.292 5.001 1.00 0.00 WT2 H ATOM 32143 OH2 TIP3 5545 69.516 12.601 37.112 1.00 0.00 WT2 O ATOM 32144 H1 TIP3 5545 68.657 12.263 36.859 1.00 0.00 WT2 H ATOM 32145 H2 TIP3 5545 69.378 13.540 37.234 1.00 0.00 WT2 H ATOM 32146 OH2 TIP3 5547 63.211 5.472 -3.122 1.00 0.00 WT2 O ATOM 32147 H1 TIP3 5547 63.665 6.290 -3.326 1.00 0.00 WT2 H ATOM 32148 H2 TIP3 5547 62.555 5.718 -2.469 1.00 0.00 WT2 H ATOM 32149 OH2 TIP3 5548 58.943 0.870 57.811 1.00 0.00 WT2 O ATOM 32150 H1 TIP3 5548 58.727 -0.057 57.712 1.00 0.00 WT2 H ATOM 32151 H2 TIP3 5548 58.229 1.228 58.339 1.00 0.00 WT2 H ATOM 32152 OH2 TIP3 5549 24.587 84.538 6.154 1.00 0.00 WT2 O ATOM 32153 H1 TIP3 5549 24.246 83.807 6.668 1.00 0.00 WT2 H ATOM 32154 H2 TIP3 5549 25.440 84.730 6.545 1.00 0.00 WT2 H ATOM 32155 OH2 TIP3 5550 86.814 35.749 62.354 1.00 0.00 WT2 O ATOM 32156 H1 TIP3 5550 87.316 36.421 62.814 1.00 0.00 WT2 H ATOM 32157 H2 TIP3 5550 86.201 36.241 61.806 1.00 0.00 WT2 H ATOM 32158 OH2 TIP3 5551 79.384 34.029 58.971 1.00 0.00 WT2 O ATOM 32159 H1 TIP3 5551 80.024 34.302 58.314 1.00 0.00 WT2 H ATOM 32160 H2 TIP3 5551 79.361 33.075 58.902 1.00 0.00 WT2 H ATOM 32161 OH2 TIP3 5552 40.399 9.075 46.881 1.00 0.00 WT2 O ATOM 32162 H1 TIP3 5552 39.563 8.857 47.293 1.00 0.00 WT2 H ATOM 32163 H2 TIP3 5552 40.464 10.027 46.959 1.00 0.00 WT2 H ATOM 32164 OH2 TIP3 5553 30.184 22.802 29.858 1.00 0.00 WT2 O ATOM 32165 H1 TIP3 5553 29.356 22.652 30.316 1.00 0.00 WT2 H ATOM 32166 H2 TIP3 5553 30.534 23.601 30.251 1.00 0.00 WT2 H ATOM 32167 OH2 TIP3 5564 28.893 20.171 65.947 1.00 0.00 WT2 O ATOM 32168 H1 TIP3 5564 28.611 20.859 65.344 1.00 0.00 WT2 H ATOM 32169 H2 TIP3 5564 29.838 20.105 65.811 1.00 0.00 WT2 H ATOM 32170 OH2 TIP3 5566 63.960 71.509 33.585 1.00 0.00 WT2 O ATOM 32171 H1 TIP3 5566 63.339 72.010 33.055 1.00 0.00 WT2 H ATOM 32172 H2 TIP3 5566 63.801 70.597 33.342 1.00 0.00 WT2 H ATOM 32173 OH2 TIP3 5567 54.862 53.453 -18.674 1.00 0.00 WT2 O ATOM 32174 H1 TIP3 5567 54.535 52.554 -18.716 1.00 0.00 WT2 H ATOM 32175 H2 TIP3 5567 55.678 53.388 -18.176 1.00 0.00 WT2 H ATOM 32176 OH2 TIP3 5568 71.306 75.724 22.992 1.00 0.00 WT2 O ATOM 32177 H1 TIP3 5568 71.609 76.059 22.148 1.00 0.00 WT2 H ATOM 32178 H2 TIP3 5568 70.884 74.891 22.782 1.00 0.00 WT2 H ATOM 32179 OH2 TIP3 5569 73.896 29.591 42.679 1.00 0.00 WT2 O ATOM 32180 H1 TIP3 5569 74.282 29.455 41.814 1.00 0.00 WT2 H ATOM 32181 H2 TIP3 5569 74.080 28.781 43.155 1.00 0.00 WT2 H ATOM 32182 OH2 TIP3 5571 47.259 90.917 -10.174 1.00 0.00 WT2 O ATOM 32183 H1 TIP3 5571 46.657 91.068 -10.903 1.00 0.00 WT2 H ATOM 32184 H2 TIP3 5571 46.738 91.099 -9.392 1.00 0.00 WT2 H ATOM 32185 OH2 TIP3 5572 80.936 88.592 58.233 1.00 0.00 WT2 O ATOM 32186 H1 TIP3 5572 81.799 88.747 58.616 1.00 0.00 WT2 H ATOM 32187 H2 TIP3 5572 81.072 88.688 57.290 1.00 0.00 WT2 H ATOM 32188 OH2 TIP3 5585 82.795 20.762 57.637 1.00 0.00 WT2 O ATOM 32189 H1 TIP3 5585 82.427 20.945 56.773 1.00 0.00 WT2 H ATOM 32190 H2 TIP3 5585 82.847 21.618 58.062 1.00 0.00 WT2 H ATOM 32191 OH2 TIP3 5590 84.524 37.396 31.478 1.00 0.00 WT2 O ATOM 32192 H1 TIP3 5590 84.929 36.928 30.747 1.00 0.00 WT2 H ATOM 32193 H2 TIP3 5590 84.590 38.320 31.237 1.00 0.00 WT2 H ATOM 32194 OH2 TIP3 5591 57.239 1.366 48.708 1.00 0.00 WT2 O ATOM 32195 H1 TIP3 5591 56.458 0.830 48.850 1.00 0.00 WT2 H ATOM 32196 H2 TIP3 5591 56.977 1.999 48.040 1.00 0.00 WT2 H ATOM 32197 OH2 TIP3 5592 30.263 59.765 29.803 1.00 0.00 WT2 O ATOM 32198 H1 TIP3 5592 30.780 58.983 29.994 1.00 0.00 WT2 H ATOM 32199 H2 TIP3 5592 30.911 60.432 29.578 1.00 0.00 WT2 H ATOM 32200 OH2 TIP3 5595 79.270 79.704 0.283 1.00 0.00 WT2 O ATOM 32201 H1 TIP3 5595 78.857 80.541 0.068 1.00 0.00 WT2 H ATOM 32202 H2 TIP3 5595 79.631 79.833 1.160 1.00 0.00 WT2 H ATOM 32203 OH2 TIP3 5596 90.319 63.524 -3.256 1.00 0.00 WT2 O ATOM 32204 H1 TIP3 5596 91.209 63.174 -3.227 1.00 0.00 WT2 H ATOM 32205 H2 TIP3 5596 90.229 63.878 -4.141 1.00 0.00 WT2 H ATOM 32206 OH2 TIP3 5606 36.594 52.938 60.910 1.00 0.00 WT2 O ATOM 32207 H1 TIP3 5606 37.298 53.580 61.006 1.00 0.00 WT2 H ATOM 32208 H2 TIP3 5606 36.725 52.568 60.037 1.00 0.00 WT2 H ATOM 32209 OH2 TIP3 5607 51.971 26.694 13.990 1.00 0.00 WT2 O ATOM 32210 H1 TIP3 5607 51.848 27.490 13.473 1.00 0.00 WT2 H ATOM 32211 H2 TIP3 5607 51.568 26.002 13.465 1.00 0.00 WT2 H ATOM 32212 OH2 TIP3 5609 21.415 66.809 -4.864 1.00 0.00 WT2 O ATOM 32213 H1 TIP3 5609 20.897 67.561 -4.577 1.00 0.00 WT2 H ATOM 32214 H2 TIP3 5609 20.968 66.496 -5.650 1.00 0.00 WT2 H ATOM 32215 OH2 TIP3 5610 57.000 60.982 56.396 1.00 0.00 WT2 O ATOM 32216 H1 TIP3 5610 57.213 60.625 57.259 1.00 0.00 WT2 H ATOM 32217 H2 TIP3 5610 57.651 60.597 55.810 1.00 0.00 WT2 H ATOM 32218 OH2 TIP3 5611 27.764 29.939 -12.394 1.00 0.00 WT2 O ATOM 32219 H1 TIP3 5611 27.935 30.813 -12.746 1.00 0.00 WT2 H ATOM 32220 H2 TIP3 5611 28.585 29.464 -12.523 1.00 0.00 WT2 H ATOM 32221 OH2 TIP3 5612 80.888 52.156 66.786 1.00 0.00 WT2 O ATOM 32222 H1 TIP3 5612 80.010 51.843 67.004 1.00 0.00 WT2 H ATOM 32223 H2 TIP3 5612 80.804 52.507 65.899 1.00 0.00 WT2 H ATOM 32224 OH2 TIP3 5614 40.624 36.789 -12.010 1.00 0.00 WT2 O ATOM 32225 H1 TIP3 5614 40.292 37.677 -12.146 1.00 0.00 WT2 H ATOM 32226 H2 TIP3 5614 40.232 36.511 -11.182 1.00 0.00 WT2 H ATOM 32227 OH2 TIP3 5615 48.033 12.560 65.348 1.00 0.00 WT2 O ATOM 32228 H1 TIP3 5615 47.287 12.631 64.753 1.00 0.00 WT2 H ATOM 32229 H2 TIP3 5615 48.033 11.644 65.625 1.00 0.00 WT2 H ATOM 32230 OH2 TIP3 5616 26.264 43.275 45.550 1.00 0.00 WT2 O ATOM 32231 H1 TIP3 5616 25.756 44.082 45.466 1.00 0.00 WT2 H ATOM 32232 H2 TIP3 5616 25.997 42.744 44.800 1.00 0.00 WT2 H ATOM 32233 OH2 TIP3 5618 76.206 18.816 66.170 1.00 0.00 WT2 O ATOM 32234 H1 TIP3 5618 76.966 18.238 66.108 1.00 0.00 WT2 H ATOM 32235 H2 TIP3 5618 75.584 18.463 65.533 1.00 0.00 WT2 H ATOM 32236 OH2 TIP3 5626 87.507 71.518 36.033 1.00 0.00 WT2 O ATOM 32237 H1 TIP3 5626 87.894 70.822 36.564 1.00 0.00 WT2 H ATOM 32238 H2 TIP3 5626 87.873 71.385 35.159 1.00 0.00 WT2 H ATOM 32239 OH2 TIP3 5630 57.572 53.310 -10.100 1.00 0.00 WT2 O ATOM 32240 H1 TIP3 5630 56.777 52.797 -9.955 1.00 0.00 WT2 H ATOM 32241 H2 TIP3 5630 58.250 52.846 -9.608 1.00 0.00 WT2 H ATOM 32242 OH2 TIP3 5631 70.632 87.542 33.035 1.00 0.00 WT2 O ATOM 32243 H1 TIP3 5631 71.219 87.664 32.288 1.00 0.00 WT2 H ATOM 32244 H2 TIP3 5631 70.524 86.593 33.101 1.00 0.00 WT2 H ATOM 32245 OH2 TIP3 5633 45.194 77.636 -12.904 1.00 0.00 WT2 O ATOM 32246 H1 TIP3 5633 45.607 77.415 -13.738 1.00 0.00 WT2 H ATOM 32247 H2 TIP3 5633 44.423 78.150 -13.146 1.00 0.00 WT2 H ATOM 32248 OH2 TIP3 5635 64.764 7.490 -4.198 1.00 0.00 WT2 O ATOM 32249 H1 TIP3 5635 65.230 7.952 -3.501 1.00 0.00 WT2 H ATOM 32250 H2 TIP3 5635 64.480 8.181 -4.797 1.00 0.00 WT2 H ATOM 32251 OH2 TIP3 5647 87.158 76.817 33.064 1.00 0.00 WT2 O ATOM 32252 H1 TIP3 5647 87.125 76.493 32.165 1.00 0.00 WT2 H ATOM 32253 H2 TIP3 5647 88.009 76.526 33.393 1.00 0.00 WT2 H ATOM 32254 OH2 TIP3 5650 57.202 33.940 64.451 1.00 0.00 WT2 O ATOM 32255 H1 TIP3 5650 56.740 34.751 64.238 1.00 0.00 WT2 H ATOM 32256 H2 TIP3 5650 57.663 33.707 63.645 1.00 0.00 WT2 H ATOM 32257 OH2 TIP3 5651 33.439 56.083 53.948 1.00 0.00 WT2 O ATOM 32258 H1 TIP3 5651 32.790 56.140 53.247 1.00 0.00 WT2 H ATOM 32259 H2 TIP3 5651 34.245 55.815 53.507 1.00 0.00 WT2 H ATOM 32260 OH2 TIP3 5653 46.239 95.607 24.965 1.00 0.00 WT2 O ATOM 32261 H1 TIP3 5653 45.462 95.167 24.619 1.00 0.00 WT2 H ATOM 32262 H2 TIP3 5653 46.959 95.281 24.425 1.00 0.00 WT2 H ATOM 32263 OH2 TIP3 5654 41.404 96.950 52.172 1.00 0.00 WT2 O ATOM 32264 H1 TIP3 5654 40.841 96.184 52.061 1.00 0.00 WT2 H ATOM 32265 H2 TIP3 5654 42.254 96.675 51.830 1.00 0.00 WT2 H ATOM 32266 OH2 TIP3 5655 63.203 46.419 43.997 1.00 0.00 WT2 O ATOM 32267 H1 TIP3 5655 63.647 45.827 43.390 1.00 0.00 WT2 H ATOM 32268 H2 TIP3 5655 62.504 46.816 43.478 1.00 0.00 WT2 H ATOM 32269 OH2 TIP3 5656 67.408 32.119 49.761 1.00 0.00 WT2 O ATOM 32270 H1 TIP3 5656 66.694 32.580 50.201 1.00 0.00 WT2 H ATOM 32271 H2 TIP3 5656 66.990 31.674 49.025 1.00 0.00 WT2 H ATOM 32272 OH2 TIP3 5669 53.822 71.185 -3.072 1.00 0.00 WT2 O ATOM 32273 H1 TIP3 5669 52.945 70.862 -2.867 1.00 0.00 WT2 H ATOM 32274 H2 TIP3 5669 54.098 71.647 -2.280 1.00 0.00 WT2 H ATOM 32275 OH2 TIP3 5673 86.509 95.583 31.008 1.00 0.00 WT2 O ATOM 32276 H1 TIP3 5673 87.182 95.035 30.605 1.00 0.00 WT2 H ATOM 32277 H2 TIP3 5673 86.120 96.063 30.277 1.00 0.00 WT2 H ATOM 32278 OH2 TIP3 5674 21.238 34.301 -7.105 1.00 0.00 WT2 O ATOM 32279 H1 TIP3 5674 20.700 35.093 -7.103 1.00 0.00 WT2 H ATOM 32280 H2 TIP3 5674 21.050 33.886 -7.947 1.00 0.00 WT2 H ATOM 32281 OH2 TIP3 5675 85.625 47.848 16.073 1.00 0.00 WT2 O ATOM 32282 H1 TIP3 5675 84.686 47.764 15.904 1.00 0.00 WT2 H ATOM 32283 H2 TIP3 5675 86.043 47.487 15.292 1.00 0.00 WT2 H ATOM 32284 OH2 TIP3 5676 61.116 12.875 23.270 1.00 0.00 WT2 O ATOM 32285 H1 TIP3 5676 61.163 11.932 23.430 1.00 0.00 WT2 H ATOM 32286 H2 TIP3 5676 61.946 13.216 23.603 1.00 0.00 WT2 H ATOM 32287 OH2 TIP3 5678 77.241 24.772 -18.440 1.00 0.00 WT2 O ATOM 32288 H1 TIP3 5678 77.030 25.505 -19.018 1.00 0.00 WT2 H ATOM 32289 H2 TIP3 5678 76.685 24.903 -17.672 1.00 0.00 WT2 H ATOM 32290 OH2 TIP3 5679 61.091 28.126 -16.809 1.00 0.00 WT2 O ATOM 32291 H1 TIP3 5679 61.703 28.860 -16.751 1.00 0.00 WT2 H ATOM 32292 H2 TIP3 5679 60.585 28.298 -17.603 1.00 0.00 WT2 H ATOM 32293 OH2 TIP3 5687 38.677 6.460 24.657 1.00 0.00 WT2 O ATOM 32294 H1 TIP3 5687 38.845 6.790 23.775 1.00 0.00 WT2 H ATOM 32295 H2 TIP3 5687 39.012 7.143 25.238 1.00 0.00 WT2 H ATOM 32296 OH2 TIP3 5690 63.837 93.270 -0.639 1.00 0.00 WT2 O ATOM 32297 H1 TIP3 5690 64.548 93.896 -0.507 1.00 0.00 WT2 H ATOM 32298 H2 TIP3 5690 63.693 92.884 0.225 1.00 0.00 WT2 H ATOM 32299 OH2 TIP3 5692 51.914 15.608 -15.564 1.00 0.00 WT2 O ATOM 32300 H1 TIP3 5692 51.852 16.225 -16.294 1.00 0.00 WT2 H ATOM 32301 H2 TIP3 5692 51.596 14.779 -15.923 1.00 0.00 WT2 H ATOM 32302 OH2 TIP3 5693 49.314 49.382 4.134 1.00 0.00 WT2 O ATOM 32303 H1 TIP3 5693 49.214 49.200 5.069 1.00 0.00 WT2 H ATOM 32304 H2 TIP3 5693 50.077 49.958 4.083 1.00 0.00 WT2 H ATOM 32305 OH2 TIP3 5694 48.548 57.459 61.772 1.00 0.00 WT2 O ATOM 32306 H1 TIP3 5694 49.299 57.563 62.358 1.00 0.00 WT2 H ATOM 32307 H2 TIP3 5694 48.881 56.927 61.049 1.00 0.00 WT2 H ATOM 32308 OH2 TIP3 5695 54.191 31.185 50.085 1.00 0.00 WT2 O ATOM 32309 H1 TIP3 5695 53.562 30.709 49.544 1.00 0.00 WT2 H ATOM 32310 H2 TIP3 5695 54.931 31.353 49.502 1.00 0.00 WT2 H ATOM 32311 OH2 TIP3 5697 60.198 29.932 15.004 1.00 0.00 WT2 O ATOM 32312 H1 TIP3 5697 59.659 30.250 14.280 1.00 0.00 WT2 H ATOM 32313 H2 TIP3 5697 59.671 30.097 15.786 1.00 0.00 WT2 H ATOM 32314 OH2 TIP3 5702 69.597 56.064 56.385 1.00 0.00 WT2 O ATOM 32315 H1 TIP3 5702 68.727 56.112 56.783 1.00 0.00 WT2 H ATOM 32316 H2 TIP3 5702 70.002 56.907 56.592 1.00 0.00 WT2 H ATOM 32317 OH2 TIP3 5710 43.083 56.791 52.028 1.00 0.00 WT2 O ATOM 32318 H1 TIP3 5710 43.161 56.998 51.097 1.00 0.00 WT2 H ATOM 32319 H2 TIP3 5710 43.908 57.091 52.410 1.00 0.00 WT2 H ATOM 32320 OH2 TIP3 5711 52.026 21.751 45.131 1.00 0.00 WT2 O ATOM 32321 H1 TIP3 5711 52.606 22.222 44.533 1.00 0.00 WT2 H ATOM 32322 H2 TIP3 5711 52.498 21.738 45.964 1.00 0.00 WT2 H ATOM 32323 OH2 TIP3 5713 59.650 68.642 43.665 1.00 0.00 WT2 O ATOM 32324 H1 TIP3 5713 58.884 69.121 43.982 1.00 0.00 WT2 H ATOM 32325 H2 TIP3 5713 59.335 68.168 42.895 1.00 0.00 WT2 H ATOM 32326 OH2 TIP3 5714 49.839 1.187 36.947 1.00 0.00 WT2 O ATOM 32327 H1 TIP3 5714 50.502 1.757 37.337 1.00 0.00 WT2 H ATOM 32328 H2 TIP3 5714 50.121 0.301 37.173 1.00 0.00 WT2 H ATOM 32329 OH2 TIP3 5716 50.895 26.996 31.401 1.00 0.00 WT2 O ATOM 32330 H1 TIP3 5716 50.696 27.490 30.606 1.00 0.00 WT2 H ATOM 32331 H2 TIP3 5716 51.436 27.589 31.922 1.00 0.00 WT2 H ATOM 32332 OH2 TIP3 5717 67.120 31.520 39.605 1.00 0.00 WT2 O ATOM 32333 H1 TIP3 5717 66.825 31.662 40.505 1.00 0.00 WT2 H ATOM 32334 H2 TIP3 5717 67.289 32.400 39.267 1.00 0.00 WT2 H ATOM 32335 OH2 TIP3 5720 66.750 41.256 3.814 1.00 0.00 WT2 O ATOM 32336 H1 TIP3 5720 66.713 40.684 4.580 1.00 0.00 WT2 H ATOM 32337 H2 TIP3 5720 67.128 42.072 4.142 1.00 0.00 WT2 H ATOM 32338 OH2 TIP3 5730 59.480 44.794 59.273 1.00 0.00 WT2 O ATOM 32339 H1 TIP3 5730 59.040 43.963 59.447 1.00 0.00 WT2 H ATOM 32340 H2 TIP3 5730 58.781 45.447 59.304 1.00 0.00 WT2 H ATOM 32341 OH2 TIP3 5734 30.685 13.277 -13.054 1.00 0.00 WT2 O ATOM 32342 H1 TIP3 5734 30.704 13.538 -12.133 1.00 0.00 WT2 H ATOM 32343 H2 TIP3 5734 30.021 12.589 -13.095 1.00 0.00 WT2 H ATOM 32344 OH2 TIP3 5735 40.595 71.928 66.808 1.00 0.00 WT2 O ATOM 32345 H1 TIP3 5735 40.774 72.759 66.368 1.00 0.00 WT2 H ATOM 32346 H2 TIP3 5735 41.313 71.355 66.539 1.00 0.00 WT2 H ATOM 32347 OH2 TIP3 5736 59.523 86.169 32.910 1.00 0.00 WT2 O ATOM 32348 H1 TIP3 5736 59.956 86.739 32.274 1.00 0.00 WT2 H ATOM 32349 H2 TIP3 5736 59.810 85.287 32.676 1.00 0.00 WT2 H ATOM 32350 OH2 TIP3 5738 85.446 83.007 33.610 1.00 0.00 WT2 O ATOM 32351 H1 TIP3 5738 84.528 83.060 33.343 1.00 0.00 WT2 H ATOM 32352 H2 TIP3 5738 85.455 82.356 34.312 1.00 0.00 WT2 H ATOM 32353 OH2 TIP3 5740 54.288 96.311 6.290 1.00 0.00 WT2 O ATOM 32354 H1 TIP3 5740 55.115 96.410 5.818 1.00 0.00 WT2 H ATOM 32355 H2 TIP3 5740 54.446 96.722 7.140 1.00 0.00 WT2 H ATOM 32356 OH2 TIP3 5743 67.433 38.161 -18.472 1.00 0.00 WT2 O ATOM 32357 H1 TIP3 5743 67.775 38.342 -17.597 1.00 0.00 WT2 H ATOM 32358 H2 TIP3 5743 66.595 37.724 -18.317 1.00 0.00 WT2 H ATOM 32359 OH2 TIP3 5755 86.943 94.091 40.887 1.00 0.00 WT2 O ATOM 32360 H1 TIP3 5755 86.774 93.518 41.635 1.00 0.00 WT2 H ATOM 32361 H2 TIP3 5755 87.896 94.183 40.865 1.00 0.00 WT2 H ATOM 32362 OH2 TIP3 5756 78.218 17.839 -7.261 1.00 0.00 WT2 O ATOM 32363 H1 TIP3 5756 78.006 17.774 -6.330 1.00 0.00 WT2 H ATOM 32364 H2 TIP3 5756 77.426 17.541 -7.709 1.00 0.00 WT2 H ATOM 32365 OH2 TIP3 5758 64.626 25.522 -8.171 1.00 0.00 WT2 O ATOM 32366 H1 TIP3 5758 64.115 24.758 -7.903 1.00 0.00 WT2 H ATOM 32367 H2 TIP3 5758 65.285 25.624 -7.484 1.00 0.00 WT2 H ATOM 32368 OH2 TIP3 5759 79.124 85.953 65.800 1.00 0.00 WT2 O ATOM 32369 H1 TIP3 5759 78.365 85.794 66.360 1.00 0.00 WT2 H ATOM 32370 H2 TIP3 5759 78.822 85.734 64.918 1.00 0.00 WT2 H ATOM 32371 OH2 TIP3 5761 31.028 64.770 61.649 1.00 0.00 WT2 O ATOM 32372 H1 TIP3 5761 30.579 64.563 62.469 1.00 0.00 WT2 H ATOM 32373 H2 TIP3 5761 31.759 64.153 61.614 1.00 0.00 WT2 H ATOM 32374 OH2 TIP3 5762 44.606 10.470 -19.161 1.00 0.00 WT2 O ATOM 32375 H1 TIP3 5762 44.697 9.518 -19.171 1.00 0.00 WT2 H ATOM 32376 H2 TIP3 5762 44.445 10.706 -20.075 1.00 0.00 WT2 H ATOM 32377 OH2 TIP3 5764 88.031 86.325 -6.440 1.00 0.00 WT2 O ATOM 32378 H1 TIP3 5764 88.657 85.636 -6.216 1.00 0.00 WT2 H ATOM 32379 H2 TIP3 5764 87.960 86.852 -5.644 1.00 0.00 WT2 H ATOM 32380 OH2 TIP3 5767 38.075 29.284 46.040 1.00 0.00 WT2 O ATOM 32381 H1 TIP3 5767 38.892 29.638 45.689 1.00 0.00 WT2 H ATOM 32382 H2 TIP3 5767 37.790 28.644 45.388 1.00 0.00 WT2 H ATOM 32383 OH2 TIP3 5768 74.363 87.103 -15.977 1.00 0.00 WT2 O ATOM 32384 H1 TIP3 5768 73.555 87.320 -16.442 1.00 0.00 WT2 H ATOM 32385 H2 TIP3 5768 75.062 87.421 -16.549 1.00 0.00 WT2 H ATOM 32386 OH2 TIP3 5775 64.680 48.374 45.636 1.00 0.00 WT2 O ATOM 32387 H1 TIP3 5775 64.781 47.903 44.809 1.00 0.00 WT2 H ATOM 32388 H2 TIP3 5775 65.210 47.878 46.260 1.00 0.00 WT2 H ATOM 32389 OH2 TIP3 5777 73.792 89.819 -0.279 1.00 0.00 WT2 O ATOM 32390 H1 TIP3 5777 73.179 90.526 -0.478 1.00 0.00 WT2 H ATOM 32391 H2 TIP3 5777 74.499 90.243 0.208 1.00 0.00 WT2 H ATOM 32392 OH2 TIP3 5778 77.109 1.975 53.586 1.00 0.00 WT2 O ATOM 32393 H1 TIP3 5778 76.811 2.281 52.729 1.00 0.00 WT2 H ATOM 32394 H2 TIP3 5778 78.053 2.135 53.582 1.00 0.00 WT2 H ATOM 32395 OH2 TIP3 5779 73.653 33.259 51.456 1.00 0.00 WT2 O ATOM 32396 H1 TIP3 5779 73.871 33.388 52.379 1.00 0.00 WT2 H ATOM 32397 H2 TIP3 5779 73.473 32.322 51.381 1.00 0.00 WT2 H ATOM 32398 OH2 TIP3 5780 81.841 76.624 63.117 1.00 0.00 WT2 O ATOM 32399 H1 TIP3 5780 82.386 75.861 62.924 1.00 0.00 WT2 H ATOM 32400 H2 TIP3 5780 82.264 77.345 62.652 1.00 0.00 WT2 H ATOM 32401 OH2 TIP3 5795 32.434 85.697 58.876 1.00 0.00 WT2 O ATOM 32402 H1 TIP3 5795 32.350 85.201 58.062 1.00 0.00 WT2 H ATOM 32403 H2 TIP3 5795 32.959 85.136 59.446 1.00 0.00 WT2 H ATOM 32404 OH2 TIP3 5797 58.181 1.832 -3.999 1.00 0.00 WT2 O ATOM 32405 H1 TIP3 5797 58.764 1.362 -3.403 1.00 0.00 WT2 H ATOM 32406 H2 TIP3 5797 58.130 2.716 -3.637 1.00 0.00 WT2 H ATOM 32407 OH2 TIP3 5798 55.085 27.255 50.902 1.00 0.00 WT2 O ATOM 32408 H1 TIP3 5798 54.623 26.613 50.362 1.00 0.00 WT2 H ATOM 32409 H2 TIP3 5798 54.612 28.075 50.757 1.00 0.00 WT2 H ATOM 32410 OH2 TIP3 5799 32.705 42.000 41.322 1.00 0.00 WT2 O ATOM 32411 H1 TIP3 5799 32.303 42.573 40.669 1.00 0.00 WT2 H ATOM 32412 H2 TIP3 5799 33.282 41.428 40.817 1.00 0.00 WT2 H ATOM 32413 OH2 TIP3 5800 50.302 22.567 49.010 1.00 0.00 WT2 O ATOM 32414 H1 TIP3 5800 50.622 23.104 48.284 1.00 0.00 WT2 H ATOM 32415 H2 TIP3 5800 50.038 21.743 48.602 1.00 0.00 WT2 H ATOM 32416 OH2 TIP3 5801 56.751 86.756 -8.151 1.00 0.00 WT2 O ATOM 32417 H1 TIP3 5801 56.371 86.045 -8.667 1.00 0.00 WT2 H ATOM 32418 H2 TIP3 5801 56.685 86.456 -7.245 1.00 0.00 WT2 H ATOM 32419 OH2 TIP3 5802 70.460 6.334 -14.932 1.00 0.00 WT2 O ATOM 32420 H1 TIP3 5802 71.198 6.042 -15.468 1.00 0.00 WT2 H ATOM 32421 H2 TIP3 5802 70.662 6.018 -14.052 1.00 0.00 WT2 H ATOM 32422 OH2 TIP3 5818 74.815 13.672 42.920 1.00 0.00 WT2 O ATOM 32423 H1 TIP3 5818 74.545 14.446 42.426 1.00 0.00 WT2 H ATOM 32424 H2 TIP3 5818 74.223 13.649 43.672 1.00 0.00 WT2 H ATOM 32425 OH2 TIP3 5819 21.745 1.364 28.972 1.00 0.00 WT2 O ATOM 32426 H1 TIP3 5819 20.929 0.951 29.253 1.00 0.00 WT2 H ATOM 32427 H2 TIP3 5819 22.052 0.821 28.246 1.00 0.00 WT2 H ATOM 32428 OH2 TIP3 5820 74.602 53.386 38.661 1.00 0.00 WT2 O ATOM 32429 H1 TIP3 5820 74.560 54.079 38.003 1.00 0.00 WT2 H ATOM 32430 H2 TIP3 5820 73.914 52.771 38.407 1.00 0.00 WT2 H ATOM 32431 OH2 TIP3 5821 65.465 24.527 -2.332 1.00 0.00 WT2 O ATOM 32432 H1 TIP3 5821 65.010 25.052 -1.675 1.00 0.00 WT2 H ATOM 32433 H2 TIP3 5821 65.424 23.632 -1.995 1.00 0.00 WT2 H ATOM 32434 OH2 TIP3 5822 23.454 52.107 23.851 1.00 0.00 WT2 O ATOM 32435 H1 TIP3 5822 23.221 52.542 24.671 1.00 0.00 WT2 H ATOM 32436 H2 TIP3 5822 24.329 52.436 23.645 1.00 0.00 WT2 H ATOM 32437 OH2 TIP3 5823 23.429 25.905 54.132 1.00 0.00 WT2 O ATOM 32438 H1 TIP3 5823 24.357 25.695 54.239 1.00 0.00 WT2 H ATOM 32439 H2 TIP3 5823 22.979 25.068 54.239 1.00 0.00 WT2 H ATOM 32440 OH2 TIP3 5825 69.707 81.283 2.698 1.00 0.00 WT2 O ATOM 32441 H1 TIP3 5825 68.777 81.501 2.635 1.00 0.00 WT2 H ATOM 32442 H2 TIP3 5825 69.877 81.228 3.639 1.00 0.00 WT2 H ATOM 32443 OH2 TIP3 5828 43.586 64.156 60.486 1.00 0.00 WT2 O ATOM 32444 H1 TIP3 5828 43.082 64.360 59.698 1.00 0.00 WT2 H ATOM 32445 H2 TIP3 5828 44.399 63.771 60.158 1.00 0.00 WT2 H ATOM 32446 OH2 TIP3 5836 66.376 78.162 48.912 1.00 0.00 WT2 O ATOM 32447 H1 TIP3 5836 65.661 77.568 49.140 1.00 0.00 WT2 H ATOM 32448 H2 TIP3 5836 66.794 77.755 48.153 1.00 0.00 WT2 H ATOM 32449 OH2 TIP3 5837 79.643 52.454 50.339 1.00 0.00 WT2 O ATOM 32450 H1 TIP3 5837 79.976 52.015 49.556 1.00 0.00 WT2 H ATOM 32451 H2 TIP3 5837 79.269 53.273 50.015 1.00 0.00 WT2 H ATOM 32452 OH2 TIP3 5839 43.914 23.645 29.440 1.00 0.00 WT2 O ATOM 32453 H1 TIP3 5839 43.873 24.499 29.008 1.00 0.00 WT2 H ATOM 32454 H2 TIP3 5839 43.374 23.074 28.895 1.00 0.00 WT2 H ATOM 32455 OH2 TIP3 5840 58.079 49.798 40.405 1.00 0.00 WT2 O ATOM 32456 H1 TIP3 5840 57.567 50.532 40.745 1.00 0.00 WT2 H ATOM 32457 H2 TIP3 5840 57.801 49.713 39.493 1.00 0.00 WT2 H ATOM 32458 OH2 TIP3 5841 73.883 3.735 -13.968 1.00 0.00 WT2 O ATOM 32459 H1 TIP3 5841 73.995 2.826 -13.690 1.00 0.00 WT2 H ATOM 32460 H2 TIP3 5841 73.492 3.674 -14.839 1.00 0.00 WT2 H ATOM 32461 OH2 TIP3 5843 83.083 7.135 36.086 1.00 0.00 WT2 O ATOM 32462 H1 TIP3 5843 83.548 6.762 35.337 1.00 0.00 WT2 H ATOM 32463 H2 TIP3 5843 82.334 7.590 35.701 1.00 0.00 WT2 H ATOM 32464 OH2 TIP3 5844 35.735 48.150 43.983 1.00 0.00 WT2 O ATOM 32465 H1 TIP3 5844 35.247 48.104 44.805 1.00 0.00 WT2 H ATOM 32466 H2 TIP3 5844 36.496 48.695 44.186 1.00 0.00 WT2 H ATOM 32467 OH2 TIP3 5846 57.632 28.304 44.539 1.00 0.00 WT2 O ATOM 32468 H1 TIP3 5846 56.682 28.350 44.435 1.00 0.00 WT2 H ATOM 32469 H2 TIP3 5846 57.770 28.305 45.486 1.00 0.00 WT2 H ATOM 32470 OH2 TIP3 5859 60.372 15.900 55.990 1.00 0.00 WT2 O ATOM 32471 H1 TIP3 5859 60.191 14.960 56.002 1.00 0.00 WT2 H ATOM 32472 H2 TIP3 5859 59.517 16.310 56.123 1.00 0.00 WT2 H ATOM 32473 OH2 TIP3 5860 45.764 79.682 37.300 1.00 0.00 WT2 O ATOM 32474 H1 TIP3 5860 46.581 79.188 37.373 1.00 0.00 WT2 H ATOM 32475 H2 TIP3 5860 45.513 79.597 36.380 1.00 0.00 WT2 H ATOM 32476 OH2 TIP3 5861 46.470 10.398 35.076 1.00 0.00 WT2 O ATOM 32477 H1 TIP3 5861 46.271 9.537 34.708 1.00 0.00 WT2 H ATOM 32478 H2 TIP3 5861 45.774 10.967 34.746 1.00 0.00 WT2 H ATOM 32479 OH2 TIP3 5862 43.031 83.455 -14.296 1.00 0.00 WT2 O ATOM 32480 H1 TIP3 5862 43.711 82.794 -14.167 1.00 0.00 WT2 H ATOM 32481 H2 TIP3 5862 42.499 83.410 -13.501 1.00 0.00 WT2 H ATOM 32482 OH2 TIP3 5863 58.800 42.455 61.083 1.00 0.00 WT2 O ATOM 32483 H1 TIP3 5863 58.032 41.904 60.936 1.00 0.00 WT2 H ATOM 32484 H2 TIP3 5863 59.527 41.958 60.708 1.00 0.00 WT2 H ATOM 32485 OH2 TIP3 5865 52.109 17.003 65.676 1.00 0.00 WT2 O ATOM 32486 H1 TIP3 5865 52.527 17.751 66.104 1.00 0.00 WT2 H ATOM 32487 H2 TIP3 5865 51.563 17.392 64.993 1.00 0.00 WT2 H ATOM 32488 OH2 TIP3 5866 85.292 85.307 38.609 1.00 0.00 WT2 O ATOM 32489 H1 TIP3 5866 84.482 85.477 39.090 1.00 0.00 WT2 H ATOM 32490 H2 TIP3 5866 85.341 86.012 37.964 1.00 0.00 WT2 H ATOM 32491 OH2 TIP3 5869 43.929 22.705 61.020 1.00 0.00 WT2 O ATOM 32492 H1 TIP3 5869 43.622 21.929 60.551 1.00 0.00 WT2 H ATOM 32493 H2 TIP3 5869 43.674 23.439 60.462 1.00 0.00 WT2 H ATOM 32494 OH2 TIP3 5881 43.741 18.121 32.084 1.00 0.00 WT2 O ATOM 32495 H1 TIP3 5881 42.789 18.057 32.160 1.00 0.00 WT2 H ATOM 32496 H2 TIP3 5881 43.898 18.266 31.151 1.00 0.00 WT2 H ATOM 32497 OH2 TIP3 5883 21.294 53.101 18.299 1.00 0.00 WT2 O ATOM 32498 H1 TIP3 5883 22.214 52.863 18.180 1.00 0.00 WT2 H ATOM 32499 H2 TIP3 5883 20.840 52.677 17.571 1.00 0.00 WT2 H ATOM 32500 OH2 TIP3 5884 58.596 63.031 62.276 1.00 0.00 WT2 O ATOM 32501 H1 TIP3 5884 58.864 63.916 62.523 1.00 0.00 WT2 H ATOM 32502 H2 TIP3 5884 57.657 63.004 62.462 1.00 0.00 WT2 H ATOM 32503 OH2 TIP3 5885 60.291 38.709 51.654 1.00 0.00 WT2 O ATOM 32504 H1 TIP3 5885 60.271 39.388 52.327 1.00 0.00 WT2 H ATOM 32505 H2 TIP3 5885 60.346 39.190 50.828 1.00 0.00 WT2 H ATOM 32506 OH2 TIP3 5886 29.392 72.489 21.732 1.00 0.00 WT2 O ATOM 32507 H1 TIP3 5886 28.478 72.697 21.540 1.00 0.00 WT2 H ATOM 32508 H2 TIP3 5886 29.350 71.713 22.290 1.00 0.00 WT2 H ATOM 32509 OH2 TIP3 5887 72.936 8.144 63.551 1.00 0.00 WT2 O ATOM 32510 H1 TIP3 5887 73.141 7.306 63.967 1.00 0.00 WT2 H ATOM 32511 H2 TIP3 5887 72.699 8.721 64.278 1.00 0.00 WT2 H ATOM 32512 OH2 TIP3 5889 85.060 5.167 34.555 1.00 0.00 WT2 O ATOM 32513 H1 TIP3 5889 84.687 4.745 33.782 1.00 0.00 WT2 H ATOM 32514 H2 TIP3 5889 85.788 4.601 34.810 1.00 0.00 WT2 H ATOM 32515 OH2 TIP3 5899 66.218 28.655 49.962 1.00 0.00 WT2 O ATOM 32516 H1 TIP3 5899 65.627 28.941 49.265 1.00 0.00 WT2 H ATOM 32517 H2 TIP3 5899 65.939 29.151 50.732 1.00 0.00 WT2 H ATOM 32518 OH2 TIP3 5901 34.630 47.164 3.817 1.00 0.00 WT2 O ATOM 32519 H1 TIP3 5901 35.464 46.702 3.734 1.00 0.00 WT2 H ATOM 32520 H2 TIP3 5901 34.118 46.874 3.063 1.00 0.00 WT2 H ATOM 32521 OH2 TIP3 5903 49.881 57.239 54.234 1.00 0.00 WT2 O ATOM 32522 H1 TIP3 5903 49.107 57.033 54.758 1.00 0.00 WT2 H ATOM 32523 H2 TIP3 5903 49.531 57.608 53.423 1.00 0.00 WT2 H ATOM 32524 OH2 TIP3 5904 54.182 60.436 -15.104 1.00 0.00 WT2 O ATOM 32525 H1 TIP3 5904 53.316 60.415 -14.695 1.00 0.00 WT2 H ATOM 32526 H2 TIP3 5904 54.495 61.328 -14.956 1.00 0.00 WT2 H ATOM 32527 OH2 TIP3 5905 58.071 9.355 40.123 1.00 0.00 WT2 O ATOM 32528 H1 TIP3 5905 58.121 10.285 39.904 1.00 0.00 WT2 H ATOM 32529 H2 TIP3 5905 57.943 8.917 39.282 1.00 0.00 WT2 H ATOM 32530 OH2 TIP3 5906 54.298 30.294 60.315 1.00 0.00 WT2 O ATOM 32531 H1 TIP3 5906 54.470 31.153 59.929 1.00 0.00 WT2 H ATOM 32532 H2 TIP3 5906 54.064 30.483 61.224 1.00 0.00 WT2 H ATOM 32533 OH2 TIP3 5909 38.799 34.786 32.879 1.00 0.00 WT2 O ATOM 32534 H1 TIP3 5909 39.030 35.709 32.774 1.00 0.00 WT2 H ATOM 32535 H2 TIP3 5909 39.609 34.312 32.691 1.00 0.00 WT2 H ATOM 32536 OH2 TIP3 5911 21.717 90.180 66.286 1.00 0.00 WT2 O ATOM 32537 H1 TIP3 5911 20.818 90.348 66.569 1.00 0.00 WT2 H ATOM 32538 H2 TIP3 5911 22.178 89.930 67.087 1.00 0.00 WT2 H ATOM 32539 OH2 TIP3 5920 85.786 70.845 4.598 1.00 0.00 WT2 O ATOM 32540 H1 TIP3 5920 85.505 70.570 5.471 1.00 0.00 WT2 H ATOM 32541 H2 TIP3 5920 86.400 70.166 4.319 1.00 0.00 WT2 H ATOM 32542 OH2 TIP3 5925 70.309 17.682 -17.645 1.00 0.00 WT2 O ATOM 32543 H1 TIP3 5925 71.232 17.733 -17.397 1.00 0.00 WT2 H ATOM 32544 H2 TIP3 5925 69.859 18.242 -17.013 1.00 0.00 WT2 H ATOM 32545 OH2 TIP3 5926 60.018 68.459 -1.120 1.00 0.00 WT2 O ATOM 32546 H1 TIP3 5926 59.373 68.906 -0.573 1.00 0.00 WT2 H ATOM 32547 H2 TIP3 5926 59.548 68.257 -1.929 1.00 0.00 WT2 H ATOM 32548 OH2 TIP3 5927 49.955 5.240 52.167 1.00 0.00 WT2 O ATOM 32549 H1 TIP3 5927 49.581 5.264 51.287 1.00 0.00 WT2 H ATOM 32550 H2 TIP3 5927 50.415 6.075 52.255 1.00 0.00 WT2 H ATOM 32551 OH2 TIP3 5928 52.901 39.416 -14.666 1.00 0.00 WT2 O ATOM 32552 H1 TIP3 5928 52.296 39.244 -13.943 1.00 0.00 WT2 H ATOM 32553 H2 TIP3 5928 52.738 40.329 -14.902 1.00 0.00 WT2 H ATOM 32554 OH2 TIP3 5941 61.889 45.000 -15.470 1.00 0.00 WT2 O ATOM 32555 H1 TIP3 5941 62.242 45.874 -15.635 1.00 0.00 WT2 H ATOM 32556 H2 TIP3 5941 62.622 44.512 -15.094 1.00 0.00 WT2 H ATOM 32557 OH2 TIP3 5945 69.089 39.110 -1.271 1.00 0.00 WT2 O ATOM 32558 H1 TIP3 5945 69.120 38.269 -0.814 1.00 0.00 WT2 H ATOM 32559 H2 TIP3 5945 69.856 39.100 -1.843 1.00 0.00 WT2 H ATOM 32560 OH2 TIP3 5946 34.935 39.493 64.000 1.00 0.00 WT2 O ATOM 32561 H1 TIP3 5946 35.174 38.740 64.540 1.00 0.00 WT2 H ATOM 32562 H2 TIP3 5946 34.512 40.099 64.607 1.00 0.00 WT2 H ATOM 32563 OH2 TIP3 5947 42.507 36.757 8.850 1.00 0.00 WT2 O ATOM 32564 H1 TIP3 5947 43.310 37.197 9.126 1.00 0.00 WT2 H ATOM 32565 H2 TIP3 5947 42.378 36.063 9.496 1.00 0.00 WT2 H ATOM 32566 OH2 TIP3 5948 33.658 0.585 11.514 1.00 0.00 WT2 O ATOM 32567 H1 TIP3 5948 33.412 1.055 10.717 1.00 0.00 WT2 H ATOM 32568 H2 TIP3 5948 34.450 0.104 11.275 1.00 0.00 WT2 H ATOM 32569 OH2 TIP3 5949 64.869 88.965 36.297 1.00 0.00 WT2 O ATOM 32570 H1 TIP3 5949 64.155 89.205 36.888 1.00 0.00 WT2 H ATOM 32571 H2 TIP3 5949 65.462 88.443 36.837 1.00 0.00 WT2 H ATOM 32572 OH2 TIP3 5950 80.760 75.530 16.249 1.00 0.00 WT2 O ATOM 32573 H1 TIP3 5950 80.493 74.638 16.473 1.00 0.00 WT2 H ATOM 32574 H2 TIP3 5950 81.709 75.476 16.140 1.00 0.00 WT2 H ATOM 32575 OH2 TIP3 5964 64.336 16.285 65.432 1.00 0.00 WT2 O ATOM 32576 H1 TIP3 5964 63.475 16.194 65.839 1.00 0.00 WT2 H ATOM 32577 H2 TIP3 5964 64.503 17.228 65.432 1.00 0.00 WT2 H ATOM 32578 OH2 TIP3 5965 66.818 16.911 17.856 1.00 0.00 WT2 O ATOM 32579 H1 TIP3 5965 66.701 16.429 17.037 1.00 0.00 WT2 H ATOM 32580 H2 TIP3 5965 67.378 17.651 17.620 1.00 0.00 WT2 H ATOM 32581 OH2 TIP3 5966 81.325 95.689 25.095 1.00 0.00 WT2 O ATOM 32582 H1 TIP3 5966 81.911 96.085 25.740 1.00 0.00 WT2 H ATOM 32583 H2 TIP3 5966 80.455 95.754 25.490 1.00 0.00 WT2 H ATOM 32584 OH2 TIP3 5968 48.280 27.171 32.197 1.00 0.00 WT2 O ATOM 32585 H1 TIP3 5968 49.204 27.286 31.976 1.00 0.00 WT2 H ATOM 32586 H2 TIP3 5968 47.882 28.023 32.017 1.00 0.00 WT2 H ATOM 32587 OH2 TIP3 5969 54.950 38.053 54.892 1.00 0.00 WT2 O ATOM 32588 H1 TIP3 5969 54.877 37.776 53.979 1.00 0.00 WT2 H ATOM 32589 H2 TIP3 5969 54.195 37.654 55.325 1.00 0.00 WT2 H ATOM 32590 OH2 TIP3 5970 74.017 8.233 9.620 1.00 0.00 WT2 O ATOM 32591 H1 TIP3 5970 73.784 9.145 9.444 1.00 0.00 WT2 H ATOM 32592 H2 TIP3 5970 74.974 8.230 9.639 1.00 0.00 WT2 H ATOM 32593 OH2 TIP3 5986 82.132 29.144 16.921 1.00 0.00 WT2 O ATOM 32594 H1 TIP3 5986 81.394 29.729 17.095 1.00 0.00 WT2 H ATOM 32595 H2 TIP3 5986 82.657 29.176 17.721 1.00 0.00 WT2 H ATOM 32596 OH2 TIP3 5987 78.779 52.159 -9.661 1.00 0.00 WT2 O ATOM 32597 H1 TIP3 5987 78.614 52.642 -8.851 1.00 0.00 WT2 H ATOM 32598 H2 TIP3 5987 77.961 51.692 -9.832 1.00 0.00 WT2 H ATOM 32599 OH2 TIP3 5988 54.842 40.753 52.556 1.00 0.00 WT2 O ATOM 32600 H1 TIP3 5988 53.914 40.983 52.510 1.00 0.00 WT2 H ATOM 32601 H2 TIP3 5988 55.289 41.586 52.708 1.00 0.00 WT2 H ATOM 32602 OH2 TIP3 5989 49.474 35.638 50.181 1.00 0.00 WT2 O ATOM 32603 H1 TIP3 5989 49.623 36.057 49.333 1.00 0.00 WT2 H ATOM 32604 H2 TIP3 5989 50.254 35.102 50.324 1.00 0.00 WT2 H ATOM 32605 OH2 TIP3 5990 38.851 33.707 -7.097 1.00 0.00 WT2 O ATOM 32606 H1 TIP3 5990 39.098 34.171 -6.297 1.00 0.00 WT2 H ATOM 32607 H2 TIP3 5990 38.937 34.361 -7.790 1.00 0.00 WT2 H ATOM 32608 OH2 TIP3 5991 61.657 34.062 -16.431 1.00 0.00 WT2 O ATOM 32609 H1 TIP3 5991 61.885 33.684 -15.582 1.00 0.00 WT2 H ATOM 32610 H2 TIP3 5991 60.802 34.470 -16.291 1.00 0.00 WT2 H ATOM 32611 OH2 TIP3 5992 69.137 35.605 -8.056 1.00 0.00 WT2 O ATOM 32612 H1 TIP3 5992 69.299 35.878 -8.959 1.00 0.00 WT2 H ATOM 32613 H2 TIP3 5992 69.168 36.417 -7.550 1.00 0.00 WT2 H ATOM 32614 OH2 TIP3 5994 81.506 26.162 53.630 1.00 0.00 WT2 O ATOM 32615 H1 TIP3 5994 81.976 26.936 53.320 1.00 0.00 WT2 H ATOM 32616 H2 TIP3 5994 81.587 25.530 52.915 1.00 0.00 WT2 H ATOM 32617 OH2 TIP3 6006 35.280 41.288 45.200 1.00 0.00 WT2 O ATOM 32618 H1 TIP3 6006 34.355 41.342 44.963 1.00 0.00 WT2 H ATOM 32619 H2 TIP3 6006 35.593 42.192 45.155 1.00 0.00 WT2 H ATOM 32620 OH2 TIP3 6009 46.910 35.334 0.523 1.00 0.00 WT2 O ATOM 32621 H1 TIP3 6009 47.507 35.638 1.207 1.00 0.00 WT2 H ATOM 32622 H2 TIP3 6009 46.213 34.879 0.997 1.00 0.00 WT2 H ATOM 32623 OH2 TIP3 6011 82.928 56.784 30.097 1.00 0.00 WT2 O ATOM 32624 H1 TIP3 6011 82.940 57.577 29.560 1.00 0.00 WT2 H ATOM 32625 H2 TIP3 6011 83.242 56.094 29.513 1.00 0.00 WT2 H ATOM 32626 OH2 TIP3 6013 35.883 37.786 -8.616 1.00 0.00 WT2 O ATOM 32627 H1 TIP3 6013 35.321 38.439 -9.033 1.00 0.00 WT2 H ATOM 32628 H2 TIP3 6013 35.967 38.085 -7.710 1.00 0.00 WT2 H ATOM 32629 OH2 TIP3 6014 83.480 85.497 19.186 1.00 0.00 WT2 O ATOM 32630 H1 TIP3 6014 83.937 85.578 18.349 1.00 0.00 WT2 H ATOM 32631 H2 TIP3 6014 82.709 84.966 18.988 1.00 0.00 WT2 H ATOM 32632 OH2 TIP3 6019 56.936 24.658 59.092 1.00 0.00 WT2 O ATOM 32633 H1 TIP3 6019 57.360 25.425 59.478 1.00 0.00 WT2 H ATOM 32634 H2 TIP3 6019 57.475 23.919 59.375 1.00 0.00 WT2 H ATOM 32635 OH2 TIP3 6027 57.164 13.369 -12.456 1.00 0.00 WT2 O ATOM 32636 H1 TIP3 6027 57.062 12.711 -13.144 1.00 0.00 WT2 H ATOM 32637 H2 TIP3 6027 57.818 13.977 -12.800 1.00 0.00 WT2 H ATOM 32638 OH2 TIP3 6028 27.560 47.812 10.418 1.00 0.00 WT2 O ATOM 32639 H1 TIP3 6028 27.708 48.679 10.040 1.00 0.00 WT2 H ATOM 32640 H2 TIP3 6028 27.787 47.911 11.343 1.00 0.00 WT2 H ATOM 32641 OH2 TIP3 6029 64.554 29.685 16.831 1.00 0.00 WT2 O ATOM 32642 H1 TIP3 6029 64.220 30.552 16.602 1.00 0.00 WT2 H ATOM 32643 H2 TIP3 6029 63.921 29.343 17.463 1.00 0.00 WT2 H ATOM 32644 OH2 TIP3 6030 77.199 66.180 62.892 1.00 0.00 WT2 O ATOM 32645 H1 TIP3 6030 76.336 66.490 62.617 1.00 0.00 WT2 H ATOM 32646 H2 TIP3 6030 77.177 65.236 62.732 1.00 0.00 WT2 H ATOM 32647 OH2 TIP3 6031 40.810 94.228 -1.727 1.00 0.00 WT2 O ATOM 32648 H1 TIP3 6031 41.184 93.623 -1.086 1.00 0.00 WT2 H ATOM 32649 H2 TIP3 6031 40.324 93.668 -2.331 1.00 0.00 WT2 H ATOM 32650 OH2 TIP3 6034 35.193 40.306 15.939 1.00 0.00 WT2 O ATOM 32651 H1 TIP3 6034 36.050 39.995 16.232 1.00 0.00 WT2 H ATOM 32652 H2 TIP3 6034 34.598 39.579 16.120 1.00 0.00 WT2 H ATOM 32653 OH2 TIP3 6035 45.562 55.141 49.928 1.00 0.00 WT2 O ATOM 32654 H1 TIP3 6035 45.290 54.978 49.025 1.00 0.00 WT2 H ATOM 32655 H2 TIP3 6035 46.457 54.806 49.974 1.00 0.00 WT2 H ATOM 32656 OH2 TIP3 6036 81.560 33.624 -16.545 1.00 0.00 WT2 O ATOM 32657 H1 TIP3 6036 81.674 33.874 -17.462 1.00 0.00 WT2 H ATOM 32658 H2 TIP3 6036 81.633 32.670 -16.546 1.00 0.00 WT2 H ATOM 32659 OH2 TIP3 6037 75.222 22.985 39.147 1.00 0.00 WT2 O ATOM 32660 H1 TIP3 6037 75.456 23.910 39.069 1.00 0.00 WT2 H ATOM 32661 H2 TIP3 6037 76.061 22.528 39.195 1.00 0.00 WT2 H ATOM 32662 OH2 TIP3 6046 70.379 63.381 40.443 1.00 0.00 WT2 O ATOM 32663 H1 TIP3 6046 70.379 62.958 41.301 1.00 0.00 WT2 H ATOM 32664 H2 TIP3 6046 70.205 62.671 39.825 1.00 0.00 WT2 H ATOM 32665 OH2 TIP3 6048 44.534 40.365 60.962 1.00 0.00 WT2 O ATOM 32666 H1 TIP3 6048 44.841 40.385 61.868 1.00 0.00 WT2 H ATOM 32667 H2 TIP3 6048 43.591 40.214 61.031 1.00 0.00 WT2 H ATOM 32668 OH2 TIP3 6049 26.184 44.521 39.011 1.00 0.00 WT2 O ATOM 32669 H1 TIP3 6049 25.527 43.890 39.304 1.00 0.00 WT2 H ATOM 32670 H2 TIP3 6049 27.000 44.022 38.980 1.00 0.00 WT2 H ATOM 32671 OH2 TIP3 6051 25.640 23.732 50.945 1.00 0.00 WT2 O ATOM 32672 H1 TIP3 6051 24.732 23.496 50.754 1.00 0.00 WT2 H ATOM 32673 H2 TIP3 6051 26.040 22.919 51.251 1.00 0.00 WT2 H ATOM 32674 OH2 TIP3 6054 29.914 35.920 59.903 1.00 0.00 WT2 O ATOM 32675 H1 TIP3 6054 29.760 36.862 59.831 1.00 0.00 WT2 H ATOM 32676 H2 TIP3 6054 30.646 35.750 59.310 1.00 0.00 WT2 H ATOM 32677 OH2 TIP3 6068 56.186 54.959 52.382 1.00 0.00 WT2 O ATOM 32678 H1 TIP3 6068 55.881 55.652 51.796 1.00 0.00 WT2 H ATOM 32679 H2 TIP3 6068 55.627 55.035 53.155 1.00 0.00 WT2 H ATOM 32680 OH2 TIP3 6070 85.828 77.052 8.141 1.00 0.00 WT2 O ATOM 32681 H1 TIP3 6070 86.007 76.118 8.030 1.00 0.00 WT2 H ATOM 32682 H2 TIP3 6070 86.645 77.484 7.892 1.00 0.00 WT2 H ATOM 32683 OH2 TIP3 6072 57.847 14.515 49.616 1.00 0.00 WT2 O ATOM 32684 H1 TIP3 6072 56.907 14.338 49.637 1.00 0.00 WT2 H ATOM 32685 H2 TIP3 6072 57.922 15.442 49.842 1.00 0.00 WT2 H ATOM 32686 OH2 TIP3 6073 49.349 29.436 39.966 1.00 0.00 WT2 O ATOM 32687 H1 TIP3 6073 48.577 29.163 39.470 1.00 0.00 WT2 H ATOM 32688 H2 TIP3 6073 50.084 29.020 39.514 1.00 0.00 WT2 H ATOM 32689 OH2 TIP3 6074 36.471 30.998 -8.764 1.00 0.00 WT2 O ATOM 32690 H1 TIP3 6074 35.790 31.595 -8.455 1.00 0.00 WT2 H ATOM 32691 H2 TIP3 6074 36.006 30.186 -8.963 1.00 0.00 WT2 H ATOM 32692 OH2 TIP3 6075 56.030 82.836 -18.440 1.00 0.00 WT2 O ATOM 32693 H1 TIP3 6075 56.674 82.610 -19.111 1.00 0.00 WT2 H ATOM 32694 H2 TIP3 6075 55.344 83.306 -18.914 1.00 0.00 WT2 H ATOM 32695 OH2 TIP3 6077 63.832 96.241 -8.541 1.00 0.00 WT2 O ATOM 32696 H1 TIP3 6077 63.862 95.841 -9.410 1.00 0.00 WT2 H ATOM 32697 H2 TIP3 6077 64.510 95.784 -8.043 1.00 0.00 WT2 H ATOM 32698 OH2 TIP3 6079 77.792 21.265 57.324 1.00 0.00 WT2 O ATOM 32699 H1 TIP3 6079 78.573 21.819 57.320 1.00 0.00 WT2 H ATOM 32700 H2 TIP3 6079 77.946 20.629 56.626 1.00 0.00 WT2 H ATOM 32701 OH2 TIP3 6090 60.232 87.315 57.081 1.00 0.00 WT2 O ATOM 32702 H1 TIP3 6090 59.525 87.105 57.691 1.00 0.00 WT2 H ATOM 32703 H2 TIP3 6090 60.656 86.474 56.908 1.00 0.00 WT2 H ATOM 32704 OH2 TIP3 6091 71.573 92.471 20.827 1.00 0.00 WT2 O ATOM 32705 H1 TIP3 6091 71.588 93.344 21.220 1.00 0.00 WT2 H ATOM 32706 H2 TIP3 6091 70.762 92.450 20.320 1.00 0.00 WT2 H ATOM 32707 OH2 TIP3 6093 76.123 34.808 -19.467 1.00 0.00 WT2 O ATOM 32708 H1 TIP3 6093 76.703 34.418 -18.813 1.00 0.00 WT2 H ATOM 32709 H2 TIP3 6093 75.245 34.528 -19.207 1.00 0.00 WT2 H ATOM 32710 OH2 TIP3 6095 85.119 56.740 17.438 1.00 0.00 WT2 O ATOM 32711 H1 TIP3 6095 84.443 56.770 16.761 1.00 0.00 WT2 H ATOM 32712 H2 TIP3 6095 84.634 56.773 18.262 1.00 0.00 WT2 H ATOM 32713 OH2 TIP3 6096 81.953 48.408 -13.955 1.00 0.00 WT2 O ATOM 32714 H1 TIP3 6096 82.101 47.498 -14.212 1.00 0.00 WT2 H ATOM 32715 H2 TIP3 6096 81.903 48.383 -12.999 1.00 0.00 WT2 H ATOM 32716 OH2 TIP3 6097 24.420 60.591 27.280 1.00 0.00 WT2 O ATOM 32717 H1 TIP3 6097 23.986 60.772 28.113 1.00 0.00 WT2 H ATOM 32718 H2 TIP3 6097 25.333 60.840 27.426 1.00 0.00 WT2 H ATOM 32719 OH2 TIP3 6098 44.447 36.484 24.771 1.00 0.00 WT2 O ATOM 32720 H1 TIP3 6098 43.690 36.212 24.251 1.00 0.00 WT2 H ATOM 32721 H2 TIP3 6098 44.898 37.125 24.222 1.00 0.00 WT2 H ATOM 32722 OH2 TIP3 6100 70.960 40.096 -7.304 1.00 0.00 WT2 O ATOM 32723 H1 TIP3 6100 70.386 40.648 -7.835 1.00 0.00 WT2 H ATOM 32724 H2 TIP3 6100 71.322 40.689 -6.645 1.00 0.00 WT2 H ATOM 32725 OH2 TIP3 6102 43.778 44.417 35.703 1.00 0.00 WT2 O ATOM 32726 H1 TIP3 6102 44.308 44.288 36.489 1.00 0.00 WT2 H ATOM 32727 H2 TIP3 6102 44.054 45.270 35.365 1.00 0.00 WT2 H ATOM 32728 OH2 TIP3 6110 44.793 23.701 49.811 1.00 0.00 WT2 O ATOM 32729 H1 TIP3 6110 45.233 23.377 49.025 1.00 0.00 WT2 H ATOM 32730 H2 TIP3 6110 43.932 23.985 49.504 1.00 0.00 WT2 H ATOM 32731 OH2 TIP3 6112 79.255 11.554 -16.388 1.00 0.00 WT2 O ATOM 32732 H1 TIP3 6112 79.484 10.729 -16.816 1.00 0.00 WT2 H ATOM 32733 H2 TIP3 6112 78.760 11.293 -15.612 1.00 0.00 WT2 H ATOM 32734 OH2 TIP3 6113 86.569 25.185 9.436 1.00 0.00 WT2 O ATOM 32735 H1 TIP3 6113 87.427 25.421 9.083 1.00 0.00 WT2 H ATOM 32736 H2 TIP3 6113 85.943 25.632 8.864 1.00 0.00 WT2 H ATOM 32737 OH2 TIP3 6115 49.665 43.941 -16.629 1.00 0.00 WT2 O ATOM 32738 H1 TIP3 6115 50.220 43.872 -17.406 1.00 0.00 WT2 H ATOM 32739 H2 TIP3 6115 50.227 43.660 -15.907 1.00 0.00 WT2 H ATOM 32740 OH2 TIP3 6116 85.275 6.075 63.522 1.00 0.00 WT2 O ATOM 32741 H1 TIP3 6116 86.221 5.927 63.532 1.00 0.00 WT2 H ATOM 32742 H2 TIP3 6116 85.150 6.866 64.045 1.00 0.00 WT2 H ATOM 32743 OH2 TIP3 6117 58.716 37.858 -2.199 1.00 0.00 WT2 O ATOM 32744 H1 TIP3 6117 58.702 38.797 -2.010 1.00 0.00 WT2 H ATOM 32745 H2 TIP3 6117 58.722 37.440 -1.338 1.00 0.00 WT2 H ATOM 32746 OH2 TIP3 6120 60.269 61.429 41.887 1.00 0.00 WT2 O ATOM 32747 H1 TIP3 6120 59.816 62.267 41.975 1.00 0.00 WT2 H ATOM 32748 H2 TIP3 6120 59.676 60.889 41.364 1.00 0.00 WT2 H ATOM 32749 OH2 TIP3 6132 86.419 78.217 37.062 1.00 0.00 WT2 O ATOM 32750 H1 TIP3 6132 85.984 78.388 36.227 1.00 0.00 WT2 H ATOM 32751 H2 TIP3 6132 87.353 78.264 36.861 1.00 0.00 WT2 H ATOM 32752 OH2 TIP3 6133 54.945 57.704 -15.090 1.00 0.00 WT2 O ATOM 32753 H1 TIP3 6133 54.463 58.483 -14.810 1.00 0.00 WT2 H ATOM 32754 H2 TIP3 6133 54.572 56.992 -14.569 1.00 0.00 WT2 H ATOM 32755 OH2 TIP3 6134 79.218 95.876 52.593 1.00 0.00 WT2 O ATOM 32756 H1 TIP3 6134 79.167 96.148 51.677 1.00 0.00 WT2 H ATOM 32757 H2 TIP3 6134 79.615 96.622 53.044 1.00 0.00 WT2 H ATOM 32758 OH2 TIP3 6136 81.878 75.257 -13.798 1.00 0.00 WT2 O ATOM 32759 H1 TIP3 6136 82.223 74.950 -12.959 1.00 0.00 WT2 H ATOM 32760 H2 TIP3 6136 82.585 75.785 -14.169 1.00 0.00 WT2 H ATOM 32761 OH2 TIP3 6137 56.811 7.207 -19.741 1.00 0.00 WT2 O ATOM 32762 H1 TIP3 6137 57.103 6.488 -19.181 1.00 0.00 WT2 H ATOM 32763 H2 TIP3 6137 57.619 7.579 -20.094 1.00 0.00 WT2 H ATOM 32764 OH2 TIP3 6138 63.203 16.761 -3.483 1.00 0.00 WT2 O ATOM 32765 H1 TIP3 6138 62.698 17.388 -2.965 1.00 0.00 WT2 H ATOM 32766 H2 TIP3 6138 63.914 17.278 -3.861 1.00 0.00 WT2 H ATOM 32767 OH2 TIP3 6141 54.540 79.283 55.617 1.00 0.00 WT2 O ATOM 32768 H1 TIP3 6141 53.852 78.804 55.156 1.00 0.00 WT2 H ATOM 32769 H2 TIP3 6141 54.184 79.433 56.493 1.00 0.00 WT2 H ATOM 32770 OH2 TIP3 6155 40.847 88.068 66.234 1.00 0.00 WT2 O ATOM 32771 H1 TIP3 6155 40.435 88.258 65.391 1.00 0.00 WT2 H ATOM 32772 H2 TIP3 6155 40.130 87.755 66.786 1.00 0.00 WT2 H ATOM 32773 OH2 TIP3 6158 41.560 37.501 51.067 1.00 0.00 WT2 O ATOM 32774 H1 TIP3 6158 42.516 37.489 51.036 1.00 0.00 WT2 H ATOM 32775 H2 TIP3 6158 41.293 36.778 50.499 1.00 0.00 WT2 H ATOM 32776 OH2 TIP3 6159 64.678 13.121 56.875 1.00 0.00 WT2 O ATOM 32777 H1 TIP3 6159 65.213 13.347 57.636 1.00 0.00 WT2 H ATOM 32778 H2 TIP3 6159 63.831 12.868 57.244 1.00 0.00 WT2 H ATOM 32779 OH2 TIP3 6160 33.692 6.044 39.081 1.00 0.00 WT2 O ATOM 32780 H1 TIP3 6160 33.499 6.378 38.205 1.00 0.00 WT2 H ATOM 32781 H2 TIP3 6160 34.333 5.348 38.937 1.00 0.00 WT2 H ATOM 32782 OH2 TIP3 6162 22.160 48.502 30.825 1.00 0.00 WT2 O ATOM 32783 H1 TIP3 6162 21.412 48.248 31.366 1.00 0.00 WT2 H ATOM 32784 H2 TIP3 6162 21.774 48.984 30.093 1.00 0.00 WT2 H ATOM 32785 OH2 TIP3 6176 87.883 56.421 39.538 1.00 0.00 WT2 O ATOM 32786 H1 TIP3 6176 88.660 56.409 40.096 1.00 0.00 WT2 H ATOM 32787 H2 TIP3 6176 87.163 56.631 40.134 1.00 0.00 WT2 H ATOM 32788 OH2 TIP3 6177 56.402 21.700 46.134 1.00 0.00 WT2 O ATOM 32789 H1 TIP3 6177 56.672 21.009 46.740 1.00 0.00 WT2 H ATOM 32790 H2 TIP3 6177 56.070 21.232 45.368 1.00 0.00 WT2 H ATOM 32791 OH2 TIP3 6178 67.544 33.740 38.225 1.00 0.00 WT2 O ATOM 32792 H1 TIP3 6178 67.592 33.538 37.290 1.00 0.00 WT2 H ATOM 32793 H2 TIP3 6178 67.312 34.669 38.258 1.00 0.00 WT2 H ATOM 32794 OH2 TIP3 6181 60.304 87.526 54.269 1.00 0.00 WT2 O ATOM 32795 H1 TIP3 6181 60.235 87.539 55.223 1.00 0.00 WT2 H ATOM 32796 H2 TIP3 6181 61.102 87.027 54.093 1.00 0.00 WT2 H ATOM 32797 OH2 TIP3 6182 35.338 86.837 27.820 1.00 0.00 WT2 O ATOM 32798 H1 TIP3 6182 35.813 86.044 27.572 1.00 0.00 WT2 H ATOM 32799 H2 TIP3 6182 34.489 86.522 28.130 1.00 0.00 WT2 H ATOM 32800 OH2 TIP3 6183 41.230 3.681 43.937 1.00 0.00 WT2 O ATOM 32801 H1 TIP3 6183 41.807 4.099 44.577 1.00 0.00 WT2 H ATOM 32802 H2 TIP3 6183 41.766 2.993 43.544 1.00 0.00 WT2 H ATOM 32803 OH2 TIP3 6190 84.671 59.225 -2.092 1.00 0.00 WT2 O ATOM 32804 H1 TIP3 6190 84.634 58.422 -2.611 1.00 0.00 WT2 H ATOM 32805 H2 TIP3 6190 84.183 59.019 -1.295 1.00 0.00 WT2 H ATOM 32806 OH2 TIP3 6195 36.134 56.279 49.375 1.00 0.00 WT2 O ATOM 32807 H1 TIP3 6195 35.655 55.488 49.126 1.00 0.00 WT2 H ATOM 32808 H2 TIP3 6195 36.486 56.616 48.551 1.00 0.00 WT2 H ATOM 32809 OH2 TIP3 6197 71.857 83.049 -12.871 1.00 0.00 WT2 O ATOM 32810 H1 TIP3 6197 72.613 83.018 -13.457 1.00 0.00 WT2 H ATOM 32811 H2 TIP3 6197 71.944 82.267 -12.325 1.00 0.00 WT2 H ATOM 32812 OH2 TIP3 6198 52.030 2.987 52.266 1.00 0.00 WT2 O ATOM 32813 H1 TIP3 6198 51.468 3.742 52.440 1.00 0.00 WT2 H ATOM 32814 H2 TIP3 6198 51.430 2.241 52.250 1.00 0.00 WT2 H ATOM 32815 OH2 TIP3 6200 86.393 75.875 -15.153 1.00 0.00 WT2 O ATOM 32816 H1 TIP3 6200 85.934 76.305 -14.432 1.00 0.00 WT2 H ATOM 32817 H2 TIP3 6200 86.434 74.954 -14.896 1.00 0.00 WT2 H ATOM 32818 OH2 TIP3 6201 34.399 59.047 48.604 1.00 0.00 WT2 O ATOM 32819 H1 TIP3 6201 35.045 59.183 47.912 1.00 0.00 WT2 H ATOM 32820 H2 TIP3 6201 34.903 59.094 49.416 1.00 0.00 WT2 H ATOM 32821 OH2 TIP3 6215 22.742 79.509 33.124 1.00 0.00 WT2 O ATOM 32822 H1 TIP3 6215 23.127 78.985 32.421 1.00 0.00 WT2 H ATOM 32823 H2 TIP3 6215 22.042 80.003 32.699 1.00 0.00 WT2 H ATOM 32824 OH2 TIP3 6216 62.387 82.836 8.148 1.00 0.00 WT2 O ATOM 32825 H1 TIP3 6216 61.512 83.197 8.008 1.00 0.00 WT2 H ATOM 32826 H2 TIP3 6216 62.340 82.421 9.009 1.00 0.00 WT2 H ATOM 32827 OH2 TIP3 6218 76.606 28.900 58.654 1.00 0.00 WT2 O ATOM 32828 H1 TIP3 6218 76.589 28.478 57.795 1.00 0.00 WT2 H ATOM 32829 H2 TIP3 6218 77.009 29.753 58.493 1.00 0.00 WT2 H ATOM 32830 OH2 TIP3 6219 80.902 17.883 53.025 1.00 0.00 WT2 O ATOM 32831 H1 TIP3 6219 80.712 17.015 53.381 1.00 0.00 WT2 H ATOM 32832 H2 TIP3 6219 80.549 17.860 52.135 1.00 0.00 WT2 H ATOM 32833 OH2 TIP3 6220 63.436 72.380 -12.024 1.00 0.00 WT2 O ATOM 32834 H1 TIP3 6220 64.017 71.822 -12.540 1.00 0.00 WT2 H ATOM 32835 H2 TIP3 6220 63.405 71.964 -11.163 1.00 0.00 WT2 H ATOM 32836 OH2 TIP3 6221 30.532 11.740 3.778 1.00 0.00 WT2 O ATOM 32837 H1 TIP3 6221 30.205 12.635 3.861 1.00 0.00 WT2 H ATOM 32838 H2 TIP3 6221 29.925 11.318 3.169 1.00 0.00 WT2 H ATOM 32839 OH2 TIP3 6225 40.982 6.250 63.337 1.00 0.00 WT2 O ATOM 32840 H1 TIP3 6225 41.894 6.510 63.214 1.00 0.00 WT2 H ATOM 32841 H2 TIP3 6225 41.017 5.301 63.459 1.00 0.00 WT2 H ATOM 32842 OH2 TIP3 6238 50.262 73.219 2.036 1.00 0.00 WT2 O ATOM 32843 H1 TIP3 6238 50.284 73.826 2.775 1.00 0.00 WT2 H ATOM 32844 H2 TIP3 6238 50.830 72.496 2.302 1.00 0.00 WT2 H ATOM 32845 OH2 TIP3 6240 51.111 85.253 -9.953 1.00 0.00 WT2 O ATOM 32846 H1 TIP3 6240 51.183 84.829 -10.808 1.00 0.00 WT2 H ATOM 32847 H2 TIP3 6240 50.481 84.718 -9.471 1.00 0.00 WT2 H ATOM 32848 OH2 TIP3 6241 33.865 83.083 62.966 1.00 0.00 WT2 O ATOM 32849 H1 TIP3 6241 34.249 83.483 63.746 1.00 0.00 WT2 H ATOM 32850 H2 TIP3 6241 34.460 82.367 62.746 1.00 0.00 WT2 H ATOM 32851 OH2 TIP3 6242 86.176 61.748 -1.062 1.00 0.00 WT2 O ATOM 32852 H1 TIP3 6242 86.761 61.224 -0.515 1.00 0.00 WT2 H ATOM 32853 H2 TIP3 6242 85.618 61.106 -1.500 1.00 0.00 WT2 H ATOM 32854 OH2 TIP3 6243 29.167 15.404 56.295 1.00 0.00 WT2 O ATOM 32855 H1 TIP3 6243 28.801 16.283 56.196 1.00 0.00 WT2 H ATOM 32856 H2 TIP3 6243 29.630 15.242 55.473 1.00 0.00 WT2 H ATOM 32857 OH2 TIP3 6245 26.718 81.801 -6.408 1.00 0.00 WT2 O ATOM 32858 H1 TIP3 6245 26.343 80.944 -6.203 1.00 0.00 WT2 H ATOM 32859 H2 TIP3 6245 26.198 82.120 -7.145 1.00 0.00 WT2 H ATOM 32860 OH2 TIP3 6246 80.130 78.663 35.899 1.00 0.00 WT2 O ATOM 32861 H1 TIP3 6246 79.601 78.071 36.433 1.00 0.00 WT2 H ATOM 32862 H2 TIP3 6246 80.977 78.223 35.821 1.00 0.00 WT2 H ATOM 32863 OH2 TIP3 6256 26.177 57.188 -5.321 1.00 0.00 WT2 O ATOM 32864 H1 TIP3 6256 26.914 56.586 -5.432 1.00 0.00 WT2 H ATOM 32865 H2 TIP3 6256 25.402 56.649 -5.474 1.00 0.00 WT2 H ATOM 32866 OH2 TIP3 6258 48.455 60.561 -16.289 1.00 0.00 WT2 O ATOM 32867 H1 TIP3 6258 48.871 60.729 -17.134 1.00 0.00 WT2 H ATOM 32868 H2 TIP3 6258 47.717 61.170 -16.259 1.00 0.00 WT2 H ATOM 32869 OH2 TIP3 6259 66.632 96.891 49.277 1.00 0.00 WT2 O ATOM 32870 H1 TIP3 6259 65.860 96.591 48.798 1.00 0.00 WT2 H ATOM 32871 H2 TIP3 6259 66.733 96.259 49.989 1.00 0.00 WT2 H ATOM 32872 OH2 TIP3 6261 90.897 21.650 62.929 1.00 0.00 WT2 O ATOM 32873 H1 TIP3 6261 91.076 21.650 63.869 1.00 0.00 WT2 H ATOM 32874 H2 TIP3 6261 89.977 21.393 62.860 1.00 0.00 WT2 H ATOM 32875 OH2 TIP3 6263 38.199 44.749 51.691 1.00 0.00 WT2 O ATOM 32876 H1 TIP3 6263 37.590 45.447 51.931 1.00 0.00 WT2 H ATOM 32877 H2 TIP3 6263 37.874 44.426 50.851 1.00 0.00 WT2 H ATOM 32878 OH2 TIP3 6264 64.456 57.284 23.465 1.00 0.00 WT2 O ATOM 32879 H1 TIP3 6264 63.930 56.623 23.913 1.00 0.00 WT2 H ATOM 32880 H2 TIP3 6264 63.875 57.638 22.791 1.00 0.00 WT2 H ATOM 32881 OH2 TIP3 6269 37.315 39.845 51.772 1.00 0.00 WT2 O ATOM 32882 H1 TIP3 6269 37.645 39.728 50.881 1.00 0.00 WT2 H ATOM 32883 H2 TIP3 6269 37.975 40.389 52.203 1.00 0.00 WT2 H ATOM 32884 OH2 TIP3 6281 37.001 91.381 54.185 1.00 0.00 WT2 O ATOM 32885 H1 TIP3 6281 37.754 91.721 54.668 1.00 0.00 WT2 H ATOM 32886 H2 TIP3 6281 36.603 92.154 53.785 1.00 0.00 WT2 H ATOM 32887 OH2 TIP3 6283 61.330 69.178 50.971 1.00 0.00 WT2 O ATOM 32888 H1 TIP3 6283 60.640 68.635 51.352 1.00 0.00 WT2 H ATOM 32889 H2 TIP3 6283 61.632 68.683 50.210 1.00 0.00 WT2 H ATOM 32890 OH2 TIP3 6284 63.689 70.102 43.222 1.00 0.00 WT2 O ATOM 32891 H1 TIP3 6284 63.697 71.051 43.100 1.00 0.00 WT2 H ATOM 32892 H2 TIP3 6284 64.614 69.857 43.257 1.00 0.00 WT2 H ATOM 32893 OH2 TIP3 6285 58.672 39.255 62.124 1.00 0.00 WT2 O ATOM 32894 H1 TIP3 6285 58.859 39.072 61.203 1.00 0.00 WT2 H ATOM 32895 H2 TIP3 6285 57.816 38.856 62.279 1.00 0.00 WT2 H ATOM 32896 OH2 TIP3 6286 63.701 81.286 6.187 1.00 0.00 WT2 O ATOM 32897 H1 TIP3 6286 63.364 81.926 6.814 1.00 0.00 WT2 H ATOM 32898 H2 TIP3 6286 62.980 80.670 6.061 1.00 0.00 WT2 H ATOM 32899 OH2 TIP3 6288 41.953 47.806 -10.013 1.00 0.00 WT2 O ATOM 32900 H1 TIP3 6288 42.326 47.881 -10.891 1.00 0.00 WT2 H ATOM 32901 H2 TIP3 6288 42.713 47.728 -9.436 1.00 0.00 WT2 H ATOM 32902 OH2 TIP3 6297 21.824 33.855 53.476 1.00 0.00 WT2 O ATOM 32903 H1 TIP3 6297 21.841 34.320 54.313 1.00 0.00 WT2 H ATOM 32904 H2 TIP3 6297 21.677 34.540 52.824 1.00 0.00 WT2 H ATOM 32905 OH2 TIP3 6300 39.023 14.793 34.069 1.00 0.00 WT2 O ATOM 32906 H1 TIP3 6300 38.480 15.494 34.430 1.00 0.00 WT2 H ATOM 32907 H2 TIP3 6300 39.601 14.541 34.789 1.00 0.00 WT2 H ATOM 32908 OH2 TIP3 6302 85.256 58.732 32.241 1.00 0.00 WT2 O ATOM 32909 H1 TIP3 6302 84.744 59.393 31.776 1.00 0.00 WT2 H ATOM 32910 H2 TIP3 6302 85.325 59.067 33.135 1.00 0.00 WT2 H ATOM 32911 OH2 TIP3 6303 62.825 8.156 18.394 1.00 0.00 WT2 O ATOM 32912 H1 TIP3 6303 63.097 7.933 17.504 1.00 0.00 WT2 H ATOM 32913 H2 TIP3 6303 63.085 7.401 18.921 1.00 0.00 WT2 H ATOM 32914 OH2 TIP3 6305 28.233 14.951 27.272 1.00 0.00 WT2 O ATOM 32915 H1 TIP3 6305 29.183 15.031 27.197 1.00 0.00 WT2 H ATOM 32916 H2 TIP3 6305 27.887 15.569 26.628 1.00 0.00 WT2 H ATOM 32917 OH2 TIP3 6309 79.929 22.048 -13.422 1.00 0.00 WT2 O ATOM 32918 H1 TIP3 6309 80.108 22.898 -13.825 1.00 0.00 WT2 H ATOM 32919 H2 TIP3 6309 80.085 21.414 -14.121 1.00 0.00 WT2 H ATOM 32920 OH2 TIP3 6311 58.995 22.449 18.476 1.00 0.00 WT2 O ATOM 32921 H1 TIP3 6311 58.969 23.304 18.046 1.00 0.00 WT2 H ATOM 32922 H2 TIP3 6311 58.082 22.163 18.497 1.00 0.00 WT2 H ATOM 32923 OH2 TIP3 6319 72.799 68.408 64.337 1.00 0.00 WT2 O ATOM 32924 H1 TIP3 6319 72.548 67.786 65.020 1.00 0.00 WT2 H ATOM 32925 H2 TIP3 6319 71.968 68.737 63.995 1.00 0.00 WT2 H ATOM 32926 OH2 TIP3 6321 25.026 67.543 64.582 1.00 0.00 WT2 O ATOM 32927 H1 TIP3 6321 25.556 68.308 64.357 1.00 0.00 WT2 H ATOM 32928 H2 TIP3 6321 25.349 67.271 65.441 1.00 0.00 WT2 H ATOM 32929 OH2 TIP3 6322 83.109 63.774 -5.809 1.00 0.00 WT2 O ATOM 32930 H1 TIP3 6322 83.350 64.606 -5.402 1.00 0.00 WT2 H ATOM 32931 H2 TIP3 6322 83.469 63.107 -5.224 1.00 0.00 WT2 H ATOM 32932 OH2 TIP3 6323 51.428 96.126 54.437 1.00 0.00 WT2 O ATOM 32933 H1 TIP3 6323 51.636 95.420 53.825 1.00 0.00 WT2 H ATOM 32934 H2 TIP3 6323 51.224 95.678 55.258 1.00 0.00 WT2 H ATOM 32935 OH2 TIP3 6324 44.957 23.357 -19.333 1.00 0.00 WT2 O ATOM 32936 H1 TIP3 6324 44.141 22.960 -19.634 1.00 0.00 WT2 H ATOM 32937 H2 TIP3 6324 44.841 24.294 -19.490 1.00 0.00 WT2 H ATOM 32938 OH2 TIP3 6325 27.933 18.266 36.384 1.00 0.00 WT2 O ATOM 32939 H1 TIP3 6325 28.149 19.186 36.539 1.00 0.00 WT2 H ATOM 32940 H2 TIP3 6325 27.963 18.171 35.432 1.00 0.00 WT2 H ATOM 32941 OH2 TIP3 6326 90.207 62.684 36.700 1.00 0.00 WT2 O ATOM 32942 H1 TIP3 6326 90.036 63.519 37.136 1.00 0.00 WT2 H ATOM 32943 H2 TIP3 6326 90.232 62.901 35.768 1.00 0.00 WT2 H ATOM 32944 OH2 TIP3 6328 78.153 90.574 12.600 1.00 0.00 WT2 O ATOM 32945 H1 TIP3 6328 78.620 90.758 13.415 1.00 0.00 WT2 H ATOM 32946 H2 TIP3 6328 78.712 89.949 12.138 1.00 0.00 WT2 H ATOM 32947 OH2 TIP3 6329 57.818 18.119 -3.745 1.00 0.00 WT2 O ATOM 32948 H1 TIP3 6329 58.644 17.719 -4.014 1.00 0.00 WT2 H ATOM 32949 H2 TIP3 6329 58.015 18.537 -2.906 1.00 0.00 WT2 H ATOM 32950 OH2 TIP3 6341 39.224 62.125 61.987 1.00 0.00 WT2 O ATOM 32951 H1 TIP3 6341 38.739 62.850 61.593 1.00 0.00 WT2 H ATOM 32952 H2 TIP3 6341 39.567 62.482 62.806 1.00 0.00 WT2 H ATOM 32953 OH2 TIP3 6345 41.298 8.556 31.168 1.00 0.00 WT2 O ATOM 32954 H1 TIP3 6345 41.203 9.330 31.724 1.00 0.00 WT2 H ATOM 32955 H2 TIP3 6345 41.982 8.793 30.542 1.00 0.00 WT2 H ATOM 32956 OH2 TIP3 6347 51.197 28.937 42.876 1.00 0.00 WT2 O ATOM 32957 H1 TIP3 6347 51.762 29.626 42.526 1.00 0.00 WT2 H ATOM 32958 H2 TIP3 6347 51.792 28.209 43.057 1.00 0.00 WT2 H ATOM 32959 OH2 TIP3 6348 25.050 17.739 -12.603 1.00 0.00 WT2 O ATOM 32960 H1 TIP3 6348 24.325 18.113 -12.103 1.00 0.00 WT2 H ATOM 32961 H2 TIP3 6348 25.521 18.498 -12.947 1.00 0.00 WT2 H ATOM 32962 OH2 TIP3 6353 72.369 26.899 54.023 1.00 0.00 WT2 O ATOM 32963 H1 TIP3 6353 72.599 26.969 53.096 1.00 0.00 WT2 H ATOM 32964 H2 TIP3 6353 71.591 26.341 54.035 1.00 0.00 WT2 H ATOM 32965 OH2 TIP3 6357 69.305 90.926 -0.402 1.00 0.00 WT2 O ATOM 32966 H1 TIP3 6357 68.774 90.304 -0.899 1.00 0.00 WT2 H ATOM 32967 H2 TIP3 6357 70.081 91.065 -0.945 1.00 0.00 WT2 H ATOM 32968 OH2 TIP3 6364 33.754 87.118 -16.293 1.00 0.00 WT2 O ATOM 32969 H1 TIP3 6364 32.905 87.435 -16.604 1.00 0.00 WT2 H ATOM 32970 H2 TIP3 6364 34.350 87.272 -17.026 1.00 0.00 WT2 H ATOM 32971 OH2 TIP3 6366 54.418 85.365 52.529 1.00 0.00 WT2 O ATOM 32972 H1 TIP3 6366 54.530 84.683 51.867 1.00 0.00 WT2 H ATOM 32973 H2 TIP3 6366 54.080 84.902 53.296 1.00 0.00 WT2 H ATOM 32974 OH2 TIP3 6368 22.539 34.714 11.612 1.00 0.00 WT2 O ATOM 32975 H1 TIP3 6368 22.525 35.664 11.494 1.00 0.00 WT2 H ATOM 32976 H2 TIP3 6368 21.943 34.555 12.344 1.00 0.00 WT2 H ATOM 32977 OH2 TIP3 6369 77.140 72.498 -11.528 1.00 0.00 WT2 O ATOM 32978 H1 TIP3 6369 78.061 72.720 -11.663 1.00 0.00 WT2 H ATOM 32979 H2 TIP3 6369 76.725 73.329 -11.296 1.00 0.00 WT2 H ATOM 32980 OH2 TIP3 6381 75.001 88.110 35.234 1.00 0.00 WT2 O ATOM 32981 H1 TIP3 6381 74.278 88.518 35.711 1.00 0.00 WT2 H ATOM 32982 H2 TIP3 6381 74.685 88.042 34.333 1.00 0.00 WT2 H ATOM 32983 OH2 TIP3 6385 59.538 18.007 -10.561 1.00 0.00 WT2 O ATOM 32984 H1 TIP3 6385 59.954 17.190 -10.835 1.00 0.00 WT2 H ATOM 32985 H2 TIP3 6385 59.762 18.633 -11.249 1.00 0.00 WT2 H ATOM 32986 OH2 TIP3 6388 47.738 39.371 50.404 1.00 0.00 WT2 O ATOM 32987 H1 TIP3 6388 47.234 39.962 50.964 1.00 0.00 WT2 H ATOM 32988 H2 TIP3 6388 47.805 39.833 49.568 1.00 0.00 WT2 H ATOM 32989 OH2 TIP3 6389 46.268 51.050 48.354 1.00 0.00 WT2 O ATOM 32990 H1 TIP3 6389 45.799 51.589 47.718 1.00 0.00 WT2 H ATOM 32991 H2 TIP3 6389 46.900 51.646 48.755 1.00 0.00 WT2 H ATOM 32992 OH2 TIP3 6390 21.730 73.265 55.567 1.00 0.00 WT2 O ATOM 32993 H1 TIP3 6390 21.927 72.408 55.189 1.00 0.00 WT2 H ATOM 32994 H2 TIP3 6390 22.507 73.792 55.383 1.00 0.00 WT2 H ATOM 32995 OH2 TIP3 6403 55.513 83.610 -1.493 1.00 0.00 WT2 O ATOM 32996 H1 TIP3 6403 55.119 82.786 -1.206 1.00 0.00 WT2 H ATOM 32997 H2 TIP3 6403 55.409 83.608 -2.444 1.00 0.00 WT2 H ATOM 32998 OH2 TIP3 6404 22.702 84.755 -2.751 1.00 0.00 WT2 O ATOM 32999 H1 TIP3 6404 22.960 84.662 -1.834 1.00 0.00 WT2 H ATOM 33000 H2 TIP3 6404 23.181 85.524 -3.058 1.00 0.00 WT2 H ATOM 33001 OH2 TIP3 6407 29.825 14.624 47.007 1.00 0.00 WT2 O ATOM 33002 H1 TIP3 6407 30.610 14.750 47.540 1.00 0.00 WT2 H ATOM 33003 H2 TIP3 6407 29.620 15.497 46.671 1.00 0.00 WT2 H ATOM 33004 OH2 TIP3 6408 33.373 61.646 51.041 1.00 0.00 WT2 O ATOM 33005 H1 TIP3 6408 33.120 60.724 51.014 1.00 0.00 WT2 H ATOM 33006 H2 TIP3 6408 33.886 61.779 50.244 1.00 0.00 WT2 H ATOM 33007 OH2 TIP3 6409 52.496 86.808 61.662 1.00 0.00 WT2 O ATOM 33008 H1 TIP3 6409 53.166 87.338 61.230 1.00 0.00 WT2 H ATOM 33009 H2 TIP3 6409 51.915 86.532 60.954 1.00 0.00 WT2 H ATOM 33010 OH2 TIP3 6410 49.271 10.378 40.358 1.00 0.00 WT2 O ATOM 33011 H1 TIP3 6410 49.945 9.757 40.083 1.00 0.00 WT2 H ATOM 33012 H2 TIP3 6410 49.615 10.765 41.163 1.00 0.00 WT2 H ATOM 33013 OH2 TIP3 6412 20.696 35.721 66.237 1.00 0.00 WT2 O ATOM 33014 H1 TIP3 6412 21.211 36.009 66.991 1.00 0.00 WT2 H ATOM 33015 H2 TIP3 6412 20.757 36.445 65.614 1.00 0.00 WT2 H ATOM 33016 OH2 TIP3 6413 45.284 24.433 -12.798 1.00 0.00 WT2 O ATOM 33017 H1 TIP3 6413 45.348 23.935 -11.983 1.00 0.00 WT2 H ATOM 33018 H2 TIP3 6413 46.159 24.379 -13.182 1.00 0.00 WT2 H ATOM 33019 OH2 TIP3 6417 51.401 18.884 -19.004 1.00 0.00 WT2 O ATOM 33020 H1 TIP3 6417 51.202 19.366 -19.806 1.00 0.00 WT2 H ATOM 33021 H2 TIP3 6417 52.290 19.154 -18.776 1.00 0.00 WT2 H ATOM 33022 OH2 TIP3 6425 44.205 4.060 31.373 1.00 0.00 WT2 O ATOM 33023 H1 TIP3 6425 44.586 3.402 31.954 1.00 0.00 WT2 H ATOM 33024 H2 TIP3 6425 44.932 4.334 30.813 1.00 0.00 WT2 H ATOM 33025 OH2 TIP3 6428 31.800 65.205 -0.567 1.00 0.00 WT2 O ATOM 33026 H1 TIP3 6428 31.748 64.339 -0.163 1.00 0.00 WT2 H ATOM 33027 H2 TIP3 6428 32.282 65.737 0.067 1.00 0.00 WT2 H ATOM 33028 OH2 TIP3 6429 77.972 28.919 38.196 1.00 0.00 WT2 O ATOM 33029 H1 TIP3 6429 78.400 28.146 37.828 1.00 0.00 WT2 H ATOM 33030 H2 TIP3 6429 77.124 28.957 37.755 1.00 0.00 WT2 H ATOM 33031 OH2 TIP3 6430 58.008 32.609 46.080 1.00 0.00 WT2 O ATOM 33032 H1 TIP3 6430 58.414 32.787 45.231 1.00 0.00 WT2 H ATOM 33033 H2 TIP3 6430 57.249 33.191 46.110 1.00 0.00 WT2 H ATOM 33034 OH2 TIP3 6431 84.169 89.238 8.157 1.00 0.00 WT2 O ATOM 33035 H1 TIP3 6431 85.119 89.314 8.066 1.00 0.00 WT2 H ATOM 33036 H2 TIP3 6431 83.995 89.476 9.067 1.00 0.00 WT2 H ATOM 33037 OH2 TIP3 6433 27.966 87.736 15.470 1.00 0.00 WT2 O ATOM 33038 H1 TIP3 6433 28.712 87.578 14.891 1.00 0.00 WT2 H ATOM 33039 H2 TIP3 6433 28.055 88.651 15.733 1.00 0.00 WT2 H ATOM 33040 OH2 TIP3 6436 26.702 34.701 16.810 1.00 0.00 WT2 O ATOM 33041 H1 TIP3 6436 27.555 34.303 16.982 1.00 0.00 WT2 H ATOM 33042 H2 TIP3 6436 26.908 35.565 16.453 1.00 0.00 WT2 H ATOM 33043 OH2 TIP3 6444 60.808 18.349 35.950 1.00 0.00 WT2 O ATOM 33044 H1 TIP3 6444 61.502 18.930 36.261 1.00 0.00 WT2 H ATOM 33045 H2 TIP3 6444 60.987 18.240 35.016 1.00 0.00 WT2 H ATOM 33046 OH2 TIP3 6446 22.234 59.663 33.944 1.00 0.00 WT2 O ATOM 33047 H1 TIP3 6446 22.871 59.851 33.255 1.00 0.00 WT2 H ATOM 33048 H2 TIP3 6446 22.200 60.466 34.465 1.00 0.00 WT2 H ATOM 33049 OH2 TIP3 6450 70.470 62.791 55.357 1.00 0.00 WT2 O ATOM 33050 H1 TIP3 6450 71.037 63.549 55.214 1.00 0.00 WT2 H ATOM 33051 H2 TIP3 6450 69.717 62.943 54.785 1.00 0.00 WT2 H ATOM 33052 OH2 TIP3 6452 69.676 92.681 39.075 1.00 0.00 WT2 O ATOM 33053 H1 TIP3 6452 69.472 92.653 38.140 1.00 0.00 WT2 H ATOM 33054 H2 TIP3 6452 69.516 91.789 39.383 1.00 0.00 WT2 H ATOM 33055 OH2 TIP3 6454 77.611 87.895 43.490 1.00 0.00 WT2 O ATOM 33056 H1 TIP3 6454 78.390 88.442 43.596 1.00 0.00 WT2 H ATOM 33057 H2 TIP3 6454 76.927 88.503 43.209 1.00 0.00 WT2 H ATOM 33058 OH2 TIP3 6455 24.690 9.218 39.479 1.00 0.00 WT2 O ATOM 33059 H1 TIP3 6455 25.613 8.997 39.354 1.00 0.00 WT2 H ATOM 33060 H2 TIP3 6455 24.285 9.049 38.629 1.00 0.00 WT2 H ATOM 33061 OH2 TIP3 6469 21.030 60.596 13.558 1.00 0.00 WT2 O ATOM 33062 H1 TIP3 6469 21.303 61.039 12.754 1.00 0.00 WT2 H ATOM 33063 H2 TIP3 6469 21.750 60.747 14.171 1.00 0.00 WT2 H ATOM 33064 OH2 TIP3 6470 69.823 9.266 -15.176 1.00 0.00 WT2 O ATOM 33065 H1 TIP3 6470 69.882 8.340 -14.939 1.00 0.00 WT2 H ATOM 33066 H2 TIP3 6470 69.941 9.733 -14.349 1.00 0.00 WT2 H ATOM 33067 OH2 TIP3 6471 40.121 56.075 41.968 1.00 0.00 WT2 O ATOM 33068 H1 TIP3 6471 40.051 56.944 42.365 1.00 0.00 WT2 H ATOM 33069 H2 TIP3 6471 40.711 56.198 41.224 1.00 0.00 WT2 H ATOM 33070 OH2 TIP3 6472 50.319 42.213 49.007 1.00 0.00 WT2 O ATOM 33071 H1 TIP3 6472 50.305 43.071 48.582 1.00 0.00 WT2 H ATOM 33072 H2 TIP3 6472 49.667 42.281 49.705 1.00 0.00 WT2 H ATOM 33073 OH2 TIP3 6473 66.403 20.915 43.656 1.00 0.00 WT2 O ATOM 33074 H1 TIP3 6473 67.271 20.651 43.959 1.00 0.00 WT2 H ATOM 33075 H2 TIP3 6473 66.342 21.844 43.880 1.00 0.00 WT2 H ATOM 33076 OH2 TIP3 6474 39.746 84.942 66.210 1.00 0.00 WT2 O ATOM 33077 H1 TIP3 6474 39.351 85.765 65.923 1.00 0.00 WT2 H ATOM 33078 H2 TIP3 6474 39.063 84.286 66.068 1.00 0.00 WT2 H ATOM 33079 OH2 TIP3 6475 61.040 58.005 -3.682 1.00 0.00 WT2 O ATOM 33080 H1 TIP3 6475 60.900 58.884 -3.329 1.00 0.00 WT2 H ATOM 33081 H2 TIP3 6475 60.943 57.425 -2.927 1.00 0.00 WT2 H ATOM 33082 OH2 TIP3 6476 70.175 57.548 5.063 1.00 0.00 WT2 O ATOM 33083 H1 TIP3 6476 70.546 56.758 5.456 1.00 0.00 WT2 H ATOM 33084 H2 TIP3 6476 69.608 57.911 5.743 1.00 0.00 WT2 H ATOM 33085 OH2 TIP3 6490 80.366 74.438 59.792 1.00 0.00 WT2 O ATOM 33086 H1 TIP3 6490 80.143 74.289 58.873 1.00 0.00 WT2 H ATOM 33087 H2 TIP3 6490 81.011 73.761 59.995 1.00 0.00 WT2 H ATOM 33088 OH2 TIP3 6491 65.869 34.242 45.508 1.00 0.00 WT2 O ATOM 33089 H1 TIP3 6491 65.888 34.191 44.553 1.00 0.00 WT2 H ATOM 33090 H2 TIP3 6491 65.562 35.129 45.695 1.00 0.00 WT2 H ATOM 33091 OH2 TIP3 6492 82.463 41.867 21.913 1.00 0.00 WT2 O ATOM 33092 H1 TIP3 6492 82.617 42.222 21.037 1.00 0.00 WT2 H ATOM 33093 H2 TIP3 6492 82.767 40.961 21.861 1.00 0.00 WT2 H ATOM 33094 OH2 TIP3 6493 29.524 58.273 33.346 1.00 0.00 WT2 O ATOM 33095 H1 TIP3 6493 28.737 58.810 33.259 1.00 0.00 WT2 H ATOM 33096 H2 TIP3 6493 29.381 57.538 32.751 1.00 0.00 WT2 H ATOM 33097 OH2 TIP3 6497 56.500 36.663 6.950 1.00 0.00 WT2 O ATOM 33098 H1 TIP3 6497 55.684 36.883 7.401 1.00 0.00 WT2 H ATOM 33099 H2 TIP3 6497 56.904 37.510 6.760 1.00 0.00 WT2 H ATOM 33100 OH2 TIP3 6499 59.217 50.550 -6.267 1.00 0.00 WT2 O ATOM 33101 H1 TIP3 6499 58.998 50.065 -7.063 1.00 0.00 WT2 H ATOM 33102 H2 TIP3 6499 59.399 51.439 -6.570 1.00 0.00 WT2 H ATOM 33103 OH2 TIP3 6509 36.661 46.769 65.502 1.00 0.00 WT2 O ATOM 33104 H1 TIP3 6509 36.379 47.456 64.899 1.00 0.00 WT2 H ATOM 33105 H2 TIP3 6509 37.500 46.470 65.150 1.00 0.00 WT2 H ATOM 33106 OH2 TIP3 6512 27.808 57.981 -9.825 1.00 0.00 WT2 O ATOM 33107 H1 TIP3 6512 27.646 57.044 -9.940 1.00 0.00 WT2 H ATOM 33108 H2 TIP3 6512 27.866 58.100 -8.877 1.00 0.00 WT2 H ATOM 33109 OH2 TIP3 6513 67.816 52.007 52.771 1.00 0.00 WT2 O ATOM 33110 H1 TIP3 6513 67.921 52.498 51.956 1.00 0.00 WT2 H ATOM 33111 H2 TIP3 6513 68.671 52.065 53.197 1.00 0.00 WT2 H ATOM 33112 OH2 TIP3 6514 45.522 58.875 44.451 1.00 0.00 WT2 O ATOM 33113 H1 TIP3 6514 45.333 58.581 43.560 1.00 0.00 WT2 H ATOM 33114 H2 TIP3 6514 45.795 59.786 44.350 1.00 0.00 WT2 H ATOM 33115 OH2 TIP3 6515 41.556 35.673 65.868 1.00 0.00 WT2 O ATOM 33116 H1 TIP3 6515 41.262 34.786 65.661 1.00 0.00 WT2 H ATOM 33117 H2 TIP3 6515 42.282 35.832 65.265 1.00 0.00 WT2 H ATOM 33118 OH2 TIP3 6516 59.243 54.675 58.662 1.00 0.00 WT2 O ATOM 33119 H1 TIP3 6516 59.825 54.810 57.914 1.00 0.00 WT2 H ATOM 33120 H2 TIP3 6516 59.450 53.793 58.970 1.00 0.00 WT2 H ATOM 33121 OH2 TIP3 6519 23.624 65.422 32.560 1.00 0.00 WT2 O ATOM 33122 H1 TIP3 6519 24.271 66.124 32.491 1.00 0.00 WT2 H ATOM 33123 H2 TIP3 6519 23.313 65.293 31.664 1.00 0.00 WT2 H ATOM 33124 OH2 TIP3 6528 34.022 43.643 11.767 1.00 0.00 WT2 O ATOM 33125 H1 TIP3 6528 33.367 43.135 12.246 1.00 0.00 WT2 H ATOM 33126 H2 TIP3 6528 34.612 43.972 12.445 1.00 0.00 WT2 H ATOM 33127 OH2 TIP3 6534 31.452 80.624 -18.650 1.00 0.00 WT2 O ATOM 33128 H1 TIP3 6534 31.765 80.735 -17.752 1.00 0.00 WT2 H ATOM 33129 H2 TIP3 6534 31.319 79.681 -18.742 1.00 0.00 WT2 H ATOM 33130 OH2 TIP3 6535 50.254 25.547 -7.477 1.00 0.00 WT2 O ATOM 33131 H1 TIP3 6535 50.978 25.727 -8.077 1.00 0.00 WT2 H ATOM 33132 H2 TIP3 6535 50.343 24.618 -7.266 1.00 0.00 WT2 H ATOM 33133 OH2 TIP3 6536 62.831 17.577 48.359 1.00 0.00 WT2 O ATOM 33134 H1 TIP3 6536 62.073 18.058 48.028 1.00 0.00 WT2 H ATOM 33135 H2 TIP3 6536 63.560 17.875 47.815 1.00 0.00 WT2 H ATOM 33136 OH2 TIP3 6537 46.912 1.627 60.517 1.00 0.00 WT2 O ATOM 33137 H1 TIP3 6537 47.365 0.829 60.789 1.00 0.00 WT2 H ATOM 33138 H2 TIP3 6537 46.463 1.929 61.306 1.00 0.00 WT2 H ATOM 33139 OH2 TIP3 6538 74.344 64.748 15.912 1.00 0.00 WT2 O ATOM 33140 H1 TIP3 6538 73.680 64.120 15.628 1.00 0.00 WT2 H ATOM 33141 H2 TIP3 6538 74.561 65.242 15.122 1.00 0.00 WT2 H ATOM 33142 OH2 TIP3 6549 47.988 47.090 57.823 1.00 0.00 WT2 O ATOM 33143 H1 TIP3 6549 47.726 47.819 58.386 1.00 0.00 WT2 H ATOM 33144 H2 TIP3 6549 47.553 47.263 56.989 1.00 0.00 WT2 H ATOM 33145 OH2 TIP3 6551 21.766 30.148 -6.144 1.00 0.00 WT2 O ATOM 33146 H1 TIP3 6551 21.393 29.570 -5.478 1.00 0.00 WT2 H ATOM 33147 H2 TIP3 6551 22.429 30.656 -5.677 1.00 0.00 WT2 H ATOM 33148 OH2 TIP3 6552 23.642 80.692 -7.839 1.00 0.00 WT2 O ATOM 33149 H1 TIP3 6552 23.571 81.591 -7.519 1.00 0.00 WT2 H ATOM 33150 H2 TIP3 6552 23.416 80.149 -7.083 1.00 0.00 WT2 H ATOM 33151 OH2 TIP3 6555 82.870 95.677 46.889 1.00 0.00 WT2 O ATOM 33152 H1 TIP3 6555 82.292 96.364 46.557 1.00 0.00 WT2 H ATOM 33153 H2 TIP3 6555 83.226 96.035 47.702 1.00 0.00 WT2 H ATOM 33154 OH2 TIP3 6556 57.549 65.899 58.994 1.00 0.00 WT2 O ATOM 33155 H1 TIP3 6556 57.592 66.628 59.612 1.00 0.00 WT2 H ATOM 33156 H2 TIP3 6556 57.033 65.231 59.447 1.00 0.00 WT2 H ATOM 33157 OH2 TIP3 6559 26.658 46.944 20.105 1.00 0.00 WT2 O ATOM 33158 H1 TIP3 6559 26.784 47.810 19.717 1.00 0.00 WT2 H ATOM 33159 H2 TIP3 6559 26.228 46.434 19.418 1.00 0.00 WT2 H ATOM 33160 OH2 TIP3 6560 52.672 18.270 35.241 1.00 0.00 WT2 O ATOM 33161 H1 TIP3 6560 51.862 17.793 35.421 1.00 0.00 WT2 H ATOM 33162 H2 TIP3 6560 52.918 17.999 34.356 1.00 0.00 WT2 H ATOM 33163 OH2 TIP3 6575 73.229 87.842 -11.086 1.00 0.00 WT2 O ATOM 33164 H1 TIP3 6575 73.497 87.455 -11.920 1.00 0.00 WT2 H ATOM 33165 H2 TIP3 6575 72.309 87.596 -10.993 1.00 0.00 WT2 H ATOM 33166 OH2 TIP3 6576 23.352 91.164 -5.990 1.00 0.00 WT2 O ATOM 33167 H1 TIP3 6576 24.208 91.251 -5.572 1.00 0.00 WT2 H ATOM 33168 H2 TIP3 6576 22.973 92.042 -5.946 1.00 0.00 WT2 H ATOM 33169 OH2 TIP3 6577 90.148 43.067 26.635 1.00 0.00 WT2 O ATOM 33170 H1 TIP3 6577 90.041 42.963 25.690 1.00 0.00 WT2 H ATOM 33171 H2 TIP3 6577 91.028 42.735 26.814 1.00 0.00 WT2 H ATOM 33172 OH2 TIP3 6579 20.942 1.099 40.320 1.00 0.00 WT2 O ATOM 33173 H1 TIP3 6579 21.077 1.990 40.641 1.00 0.00 WT2 H ATOM 33174 H2 TIP3 6579 21.427 1.065 39.495 1.00 0.00 WT2 H ATOM 33175 OH2 TIP3 6580 34.138 76.264 48.053 1.00 0.00 WT2 O ATOM 33176 H1 TIP3 6580 34.339 75.443 48.503 1.00 0.00 WT2 H ATOM 33177 H2 TIP3 6580 34.860 76.848 48.286 1.00 0.00 WT2 H ATOM 33178 OH2 TIP3 6595 84.150 33.892 27.012 1.00 0.00 WT2 O ATOM 33179 H1 TIP3 6595 83.331 33.499 26.710 1.00 0.00 WT2 H ATOM 33180 H2 TIP3 6595 84.249 34.680 26.477 1.00 0.00 WT2 H ATOM 33181 OH2 TIP3 6597 62.164 84.382 51.308 1.00 0.00 WT2 O ATOM 33182 H1 TIP3 6597 61.603 83.612 51.222 1.00 0.00 WT2 H ATOM 33183 H2 TIP3 6597 61.647 84.999 51.827 1.00 0.00 WT2 H ATOM 33184 OH2 TIP3 6598 72.282 61.851 36.052 1.00 0.00 WT2 O ATOM 33185 H1 TIP3 6598 72.596 62.755 36.073 1.00 0.00 WT2 H ATOM 33186 H2 TIP3 6598 72.591 61.509 35.213 1.00 0.00 WT2 H ATOM 33187 OH2 TIP3 6599 86.809 90.068 65.547 1.00 0.00 WT2 O ATOM 33188 H1 TIP3 6599 86.781 90.837 66.116 1.00 0.00 WT2 H ATOM 33189 H2 TIP3 6599 86.094 89.512 65.858 1.00 0.00 WT2 H ATOM 33190 OH2 TIP3 6600 77.199 74.153 6.785 1.00 0.00 WT2 O ATOM 33191 H1 TIP3 6600 76.619 73.516 7.202 1.00 0.00 WT2 H ATOM 33192 H2 TIP3 6600 77.123 73.969 5.849 1.00 0.00 WT2 H ATOM 33193 OH2 TIP3 6602 71.613 18.512 -9.207 1.00 0.00 WT2 O ATOM 33194 H1 TIP3 6602 70.787 18.753 -8.787 1.00 0.00 WT2 H ATOM 33195 H2 TIP3 6602 71.369 17.846 -9.850 1.00 0.00 WT2 H ATOM 33196 OH2 TIP3 6603 65.129 33.866 54.772 1.00 0.00 WT2 O ATOM 33197 H1 TIP3 6603 64.373 34.408 54.997 1.00 0.00 WT2 H ATOM 33198 H2 TIP3 6603 64.963 33.030 55.208 1.00 0.00 WT2 H ATOM 33199 OH2 TIP3 6615 73.753 33.933 9.463 1.00 0.00 WT2 O ATOM 33200 H1 TIP3 6615 73.777 34.383 10.307 1.00 0.00 WT2 H ATOM 33201 H2 TIP3 6615 73.623 33.011 9.687 1.00 0.00 WT2 H ATOM 33202 OH2 TIP3 6616 64.202 92.075 -12.722 1.00 0.00 WT2 O ATOM 33203 H1 TIP3 6616 63.415 92.522 -12.410 1.00 0.00 WT2 H ATOM 33204 H2 TIP3 6616 64.090 92.027 -13.672 1.00 0.00 WT2 H ATOM 33205 OH2 TIP3 6618 41.854 88.186 33.961 1.00 0.00 WT2 O ATOM 33206 H1 TIP3 6618 42.053 87.455 34.546 1.00 0.00 WT2 H ATOM 33207 H2 TIP3 6618 40.901 88.164 33.865 1.00 0.00 WT2 H ATOM 33208 OH2 TIP3 6620 71.642 5.161 -12.862 1.00 0.00 WT2 O ATOM 33209 H1 TIP3 6620 72.264 4.573 -13.289 1.00 0.00 WT2 H ATOM 33210 H2 TIP3 6620 71.960 5.234 -11.962 1.00 0.00 WT2 H ATOM 33211 OH2 TIP3 6621 68.688 48.919 53.653 1.00 0.00 WT2 O ATOM 33212 H1 TIP3 6621 68.606 49.092 52.715 1.00 0.00 WT2 H ATOM 33213 H2 TIP3 6621 67.799 48.708 53.937 1.00 0.00 WT2 H ATOM 33214 OH2 TIP3 6623 41.220 25.904 30.487 1.00 0.00 WT2 O ATOM 33215 H1 TIP3 6623 41.020 26.262 29.623 1.00 0.00 WT2 H ATOM 33216 H2 TIP3 6623 40.444 26.097 31.013 1.00 0.00 WT2 H ATOM 33217 OH2 TIP3 6633 88.192 26.537 -19.188 1.00 0.00 WT2 O ATOM 33218 H1 TIP3 6633 87.796 26.575 -18.317 1.00 0.00 WT2 H ATOM 33219 H2 TIP3 6633 87.781 27.255 -19.670 1.00 0.00 WT2 H ATOM 33220 OH2 TIP3 6637 21.870 88.146 27.295 1.00 0.00 WT2 O ATOM 33221 H1 TIP3 6637 20.961 88.363 27.092 1.00 0.00 WT2 H ATOM 33222 H2 TIP3 6637 22.073 88.665 28.074 1.00 0.00 WT2 H ATOM 33223 OH2 TIP3 6638 52.309 26.797 54.175 1.00 0.00 WT2 O ATOM 33224 H1 TIP3 6638 51.912 26.250 54.853 1.00 0.00 WT2 H ATOM 33225 H2 TIP3 6638 52.975 26.238 53.774 1.00 0.00 WT2 H ATOM 33226 OH2 TIP3 6639 76.467 2.169 47.098 1.00 0.00 WT2 O ATOM 33227 H1 TIP3 6639 75.864 1.449 47.282 1.00 0.00 WT2 H ATOM 33228 H2 TIP3 6639 77.326 1.752 47.035 1.00 0.00 WT2 H ATOM 33229 OH2 TIP3 6640 21.997 10.012 -6.375 1.00 0.00 WT2 O ATOM 33230 H1 TIP3 6640 21.819 10.714 -5.748 1.00 0.00 WT2 H ATOM 33231 H2 TIP3 6640 22.944 9.881 -6.327 1.00 0.00 WT2 H ATOM 33232 OH2 TIP3 6641 38.708 24.117 28.314 1.00 0.00 WT2 O ATOM 33233 H1 TIP3 6641 37.863 23.688 28.451 1.00 0.00 WT2 H ATOM 33234 H2 TIP3 6641 39.156 23.565 27.673 1.00 0.00 WT2 H ATOM 33235 OH2 TIP3 6642 43.306 92.519 21.655 1.00 0.00 WT2 O ATOM 33236 H1 TIP3 6642 44.173 92.417 21.261 1.00 0.00 WT2 H ATOM 33237 H2 TIP3 6642 43.482 92.691 22.580 1.00 0.00 WT2 H ATOM 33238 OH2 TIP3 6645 64.881 34.659 14.351 1.00 0.00 WT2 O ATOM 33239 H1 TIP3 6645 64.311 35.427 14.393 1.00 0.00 WT2 H ATOM 33240 H2 TIP3 6645 64.344 33.984 13.938 1.00 0.00 WT2 H ATOM 33241 OH2 TIP3 6656 70.102 54.946 63.395 1.00 0.00 WT2 O ATOM 33242 H1 TIP3 6656 69.866 54.018 63.393 1.00 0.00 WT2 H ATOM 33243 H2 TIP3 6656 70.024 55.211 64.311 1.00 0.00 WT2 H ATOM 33244 OH2 TIP3 6659 79.641 39.613 53.402 1.00 0.00 WT2 O ATOM 33245 H1 TIP3 6659 78.786 40.043 53.437 1.00 0.00 WT2 H ATOM 33246 H2 TIP3 6659 79.472 38.778 52.965 1.00 0.00 WT2 H ATOM 33247 OH2 TIP3 6660 44.177 23.411 52.624 1.00 0.00 WT2 O ATOM 33248 H1 TIP3 6660 44.587 24.270 52.716 1.00 0.00 WT2 H ATOM 33249 H2 TIP3 6660 44.373 23.147 51.724 1.00 0.00 WT2 H ATOM 33250 OH2 TIP3 6661 59.071 37.108 40.274 1.00 0.00 WT2 O ATOM 33251 H1 TIP3 6661 59.624 37.285 39.514 1.00 0.00 WT2 H ATOM 33252 H2 TIP3 6661 58.422 37.811 40.268 1.00 0.00 WT2 H ATOM 33253 OH2 TIP3 6662 37.100 2.466 -6.585 1.00 0.00 WT2 O ATOM 33254 H1 TIP3 6662 36.218 2.104 -6.503 1.00 0.00 WT2 H ATOM 33255 H2 TIP3 6662 37.586 2.081 -5.856 1.00 0.00 WT2 H ATOM 33256 OH2 TIP3 6664 41.893 18.648 29.586 1.00 0.00 WT2 O ATOM 33257 H1 TIP3 6664 41.037 18.376 29.917 1.00 0.00 WT2 H ATOM 33258 H2 TIP3 6664 42.308 17.834 29.300 1.00 0.00 WT2 H ATOM 33259 OH2 TIP3 6671 23.904 77.035 -3.752 1.00 0.00 WT2 O ATOM 33260 H1 TIP3 6671 24.257 77.858 -3.414 1.00 0.00 WT2 H ATOM 33261 H2 TIP3 6671 23.184 77.300 -4.325 1.00 0.00 WT2 H ATOM 33262 OH2 TIP3 6679 30.399 26.342 24.418 1.00 0.00 WT2 O ATOM 33263 H1 TIP3 6679 29.454 26.425 24.546 1.00 0.00 WT2 H ATOM 33264 H2 TIP3 6679 30.503 26.217 23.475 1.00 0.00 WT2 H ATOM 33265 OH2 TIP3 6681 64.208 83.267 -13.535 1.00 0.00 WT2 O ATOM 33266 H1 TIP3 6681 64.214 82.347 -13.801 1.00 0.00 WT2 H ATOM 33267 H2 TIP3 6681 64.818 83.694 -14.136 1.00 0.00 WT2 H ATOM 33268 OH2 TIP3 6684 20.701 1.028 13.018 1.00 0.00 WT2 O ATOM 33269 H1 TIP3 6684 21.611 1.323 13.017 1.00 0.00 WT2 H ATOM 33270 H2 TIP3 6684 20.695 0.270 13.601 1.00 0.00 WT2 H ATOM 33271 OH2 TIP3 6686 57.044 10.835 64.125 1.00 0.00 WT2 O ATOM 33272 H1 TIP3 6686 57.309 10.546 64.998 1.00 0.00 WT2 H ATOM 33273 H2 TIP3 6686 56.522 10.110 63.781 1.00 0.00 WT2 H ATOM 33274 OH2 TIP3 6698 67.073 59.858 66.050 1.00 0.00 WT2 O ATOM 33275 H1 TIP3 6698 66.427 59.520 65.430 1.00 0.00 WT2 H ATOM 33276 H2 TIP3 6698 66.640 59.804 66.902 1.00 0.00 WT2 H ATOM 33277 OH2 TIP3 6700 47.345 56.432 55.075 1.00 0.00 WT2 O ATOM 33278 H1 TIP3 6700 47.159 57.370 55.054 1.00 0.00 WT2 H ATOM 33279 H2 TIP3 6700 47.040 56.107 54.228 1.00 0.00 WT2 H ATOM 33280 OH2 TIP3 6701 69.604 24.905 36.377 1.00 0.00 WT2 O ATOM 33281 H1 TIP3 6701 69.541 24.836 37.330 1.00 0.00 WT2 H ATOM 33282 H2 TIP3 6701 70.447 25.331 36.223 1.00 0.00 WT2 H ATOM 33283 OH2 TIP3 6703 26.990 53.606 -1.808 1.00 0.00 WT2 O ATOM 33284 H1 TIP3 6703 27.006 53.176 -0.953 1.00 0.00 WT2 H ATOM 33285 H2 TIP3 6703 27.851 54.016 -1.887 1.00 0.00 WT2 H ATOM 33286 OH2 TIP3 6704 22.669 10.050 -2.717 1.00 0.00 WT2 O ATOM 33287 H1 TIP3 6704 23.111 9.288 -3.092 1.00 0.00 WT2 H ATOM 33288 H2 TIP3 6704 23.180 10.263 -1.936 1.00 0.00 WT2 H ATOM 33289 OH2 TIP3 6705 89.929 79.587 21.514 1.00 0.00 WT2 O ATOM 33290 H1 TIP3 6705 89.419 80.146 22.101 1.00 0.00 WT2 H ATOM 33291 H2 TIP3 6705 90.001 78.754 21.980 1.00 0.00 WT2 H ATOM 33292 OH2 TIP3 6706 31.811 35.501 39.667 1.00 0.00 WT2 O ATOM 33293 H1 TIP3 6706 32.310 36.270 39.393 1.00 0.00 WT2 H ATOM 33294 H2 TIP3 6706 31.044 35.495 39.094 1.00 0.00 WT2 H ATOM 33295 OH2 TIP3 6721 20.821 13.446 58.913 1.00 0.00 WT2 O ATOM 33296 H1 TIP3 6721 21.011 13.788 59.786 1.00 0.00 WT2 H ATOM 33297 H2 TIP3 6721 20.517 14.207 58.418 1.00 0.00 WT2 H ATOM 33298 OH2 TIP3 6722 89.169 74.221 23.383 1.00 0.00 WT2 O ATOM 33299 H1 TIP3 6722 88.655 74.933 23.003 1.00 0.00 WT2 H ATOM 33300 H2 TIP3 6722 89.071 73.498 22.764 1.00 0.00 WT2 H ATOM 33301 OH2 TIP3 6726 60.599 22.995 -8.706 1.00 0.00 WT2 O ATOM 33302 H1 TIP3 6726 60.295 22.590 -7.894 1.00 0.00 WT2 H ATOM 33303 H2 TIP3 6726 59.950 22.737 -9.360 1.00 0.00 WT2 H ATOM 33304 OH2 TIP3 6727 29.932 69.885 0.728 1.00 0.00 WT2 O ATOM 33305 H1 TIP3 6727 29.935 70.776 1.080 1.00 0.00 WT2 H ATOM 33306 H2 TIP3 6727 29.450 69.372 1.376 1.00 0.00 WT2 H ATOM 33307 OH2 TIP3 6730 35.848 15.198 2.695 1.00 0.00 WT2 O ATOM 33308 H1 TIP3 6730 35.569 15.588 3.523 1.00 0.00 WT2 H ATOM 33309 H2 TIP3 6730 35.032 14.971 2.250 1.00 0.00 WT2 H ATOM 33310 OH2 TIP3 6731 34.666 15.415 21.677 1.00 0.00 WT2 O ATOM 33311 H1 TIP3 6731 35.037 15.249 20.811 1.00 0.00 WT2 H ATOM 33312 H2 TIP3 6731 35.426 15.466 22.258 1.00 0.00 WT2 H ATOM 33313 OH2 TIP3 6740 70.802 38.936 7.768 1.00 0.00 WT2 O ATOM 33314 H1 TIP3 6740 70.971 38.655 8.667 1.00 0.00 WT2 H ATOM 33315 H2 TIP3 6740 70.252 39.714 7.859 1.00 0.00 WT2 H ATOM 33316 OH2 TIP3 6742 52.838 24.177 52.800 1.00 0.00 WT2 O ATOM 33317 H1 TIP3 6742 52.470 23.831 53.613 1.00 0.00 WT2 H ATOM 33318 H2 TIP3 6742 52.080 24.309 52.230 1.00 0.00 WT2 H ATOM 33319 OH2 TIP3 6743 85.268 39.476 26.414 1.00 0.00 WT2 O ATOM 33320 H1 TIP3 6743 85.432 40.184 27.036 1.00 0.00 WT2 H ATOM 33321 H2 TIP3 6743 85.095 39.920 25.584 1.00 0.00 WT2 H ATOM 33322 OH2 TIP3 6745 82.240 43.470 45.473 1.00 0.00 WT2 O ATOM 33323 H1 TIP3 6745 83.134 43.662 45.188 1.00 0.00 WT2 H ATOM 33324 H2 TIP3 6745 81.820 44.327 45.539 1.00 0.00 WT2 H ATOM 33325 OH2 TIP3 6748 77.488 56.973 60.038 1.00 0.00 WT2 O ATOM 33326 H1 TIP3 6748 78.044 57.160 59.282 1.00 0.00 WT2 H ATOM 33327 H2 TIP3 6748 76.671 56.647 59.660 1.00 0.00 WT2 H ATOM 33328 OH2 TIP3 6750 72.005 35.509 58.709 1.00 0.00 WT2 O ATOM 33329 H1 TIP3 6750 72.297 34.977 57.969 1.00 0.00 WT2 H ATOM 33330 H2 TIP3 6750 71.321 36.071 58.345 1.00 0.00 WT2 H ATOM 33331 OH2 TIP3 6762 53.569 89.900 46.789 1.00 0.00 WT2 O ATOM 33332 H1 TIP3 6762 54.144 89.817 47.550 1.00 0.00 WT2 H ATOM 33333 H2 TIP3 6762 52.761 89.459 47.051 1.00 0.00 WT2 H ATOM 33334 OH2 TIP3 6763 33.373 17.546 54.601 1.00 0.00 WT2 O ATOM 33335 H1 TIP3 6763 34.067 17.825 54.003 1.00 0.00 WT2 H ATOM 33336 H2 TIP3 6763 33.837 17.222 55.373 1.00 0.00 WT2 H ATOM 33337 OH2 TIP3 6765 65.112 84.780 13.617 1.00 0.00 WT2 O ATOM 33338 H1 TIP3 6765 64.362 84.210 13.788 1.00 0.00 WT2 H ATOM 33339 H2 TIP3 6765 65.831 84.178 13.422 1.00 0.00 WT2 H ATOM 33340 OH2 TIP3 6767 75.066 22.861 53.729 1.00 0.00 WT2 O ATOM 33341 H1 TIP3 6767 74.678 22.334 53.031 1.00 0.00 WT2 H ATOM 33342 H2 TIP3 6767 74.713 22.486 54.536 1.00 0.00 WT2 H ATOM 33343 OH2 TIP3 6768 27.271 54.959 66.732 1.00 0.00 WT2 O ATOM 33344 H1 TIP3 6768 26.799 55.603 67.260 1.00 0.00 WT2 H ATOM 33345 H2 TIP3 6768 27.835 54.503 67.356 1.00 0.00 WT2 H ATOM 33346 OH2 TIP3 6769 24.076 80.330 -4.837 1.00 0.00 WT2 O ATOM 33347 H1 TIP3 6769 24.726 80.499 -4.155 1.00 0.00 WT2 H ATOM 33348 H2 TIP3 6769 23.504 81.097 -4.819 1.00 0.00 WT2 H ATOM 33349 OH2 TIP3 6770 88.393 30.514 55.988 1.00 0.00 WT2 O ATOM 33350 H1 TIP3 6770 88.785 30.054 56.730 1.00 0.00 WT2 H ATOM 33351 H2 TIP3 6770 89.113 30.626 55.368 1.00 0.00 WT2 H ATOM 33352 OH2 TIP3 6771 39.362 50.771 42.433 1.00 0.00 WT2 O ATOM 33353 H1 TIP3 6771 38.896 51.579 42.220 1.00 0.00 WT2 H ATOM 33354 H2 TIP3 6771 40.214 51.063 42.758 1.00 0.00 WT2 H ATOM 33355 OH2 TIP3 6786 27.707 5.128 24.447 1.00 0.00 WT2 O ATOM 33356 H1 TIP3 6786 27.738 5.117 23.490 1.00 0.00 WT2 H ATOM 33357 H2 TIP3 6786 27.737 4.205 24.698 1.00 0.00 WT2 H ATOM 33358 OH2 TIP3 6788 23.442 87.283 63.452 1.00 0.00 WT2 O ATOM 33359 H1 TIP3 6788 24.140 87.247 64.107 1.00 0.00 WT2 H ATOM 33360 H2 TIP3 6788 23.794 87.840 62.758 1.00 0.00 WT2 H ATOM 33361 OH2 TIP3 6790 74.211 63.323 -2.609 1.00 0.00 WT2 O ATOM 33362 H1 TIP3 6790 74.190 62.425 -2.942 1.00 0.00 WT2 H ATOM 33363 H2 TIP3 6790 73.411 63.724 -2.950 1.00 0.00 WT2 H ATOM 33364 OH2 TIP3 6791 43.970 90.040 8.330 1.00 0.00 WT2 O ATOM 33365 H1 TIP3 6791 43.886 89.326 7.697 1.00 0.00 WT2 H ATOM 33366 H2 TIP3 6791 44.660 89.750 8.927 1.00 0.00 WT2 H ATOM 33367 OH2 TIP3 6792 84.213 65.301 22.639 1.00 0.00 WT2 O ATOM 33368 H1 TIP3 6792 85.049 65.051 22.246 1.00 0.00 WT2 H ATOM 33369 H2 TIP3 6792 83.572 64.721 22.228 1.00 0.00 WT2 H ATOM 33370 OH2 TIP3 6803 57.037 35.017 48.665 1.00 0.00 WT2 O ATOM 33371 H1 TIP3 6803 56.988 35.922 48.356 1.00 0.00 WT2 H ATOM 33372 H2 TIP3 6803 56.701 35.051 49.561 1.00 0.00 WT2 H ATOM 33373 OH2 TIP3 6807 88.497 51.559 -6.711 1.00 0.00 WT2 O ATOM 33374 H1 TIP3 6807 89.078 51.933 -7.374 1.00 0.00 WT2 H ATOM 33375 H2 TIP3 6807 88.505 52.195 -5.997 1.00 0.00 WT2 H ATOM 33376 OH2 TIP3 6810 88.483 19.302 12.870 1.00 0.00 WT2 O ATOM 33377 H1 TIP3 6810 88.687 19.612 13.753 1.00 0.00 WT2 H ATOM 33378 H2 TIP3 6810 88.555 20.082 12.319 1.00 0.00 WT2 H ATOM 33379 OH2 TIP3 6811 60.791 90.539 -15.101 1.00 0.00 WT2 O ATOM 33380 H1 TIP3 6811 61.609 91.033 -15.149 1.00 0.00 WT2 H ATOM 33381 H2 TIP3 6811 60.189 91.116 -14.632 1.00 0.00 WT2 H ATOM 33382 OH2 TIP3 6813 25.735 26.832 58.042 1.00 0.00 WT2 O ATOM 33383 H1 TIP3 6813 25.944 25.899 57.987 1.00 0.00 WT2 H ATOM 33384 H2 TIP3 6813 25.722 27.020 58.980 1.00 0.00 WT2 H ATOM 33385 OH2 TIP3 6815 20.894 38.813 5.323 1.00 0.00 WT2 O ATOM 33386 H1 TIP3 6815 21.171 39.080 4.447 1.00 0.00 WT2 H ATOM 33387 H2 TIP3 6815 21.352 39.411 5.913 1.00 0.00 WT2 H ATOM 33388 OH2 TIP3 6825 33.108 42.122 49.918 1.00 0.00 WT2 O ATOM 33389 H1 TIP3 6825 32.382 41.822 50.465 1.00 0.00 WT2 H ATOM 33390 H2 TIP3 6825 32.974 41.681 49.079 1.00 0.00 WT2 H ATOM 33391 OH2 TIP3 6826 45.924 84.775 57.104 1.00 0.00 WT2 O ATOM 33392 H1 TIP3 6826 45.349 85.372 57.583 1.00 0.00 WT2 H ATOM 33393 H2 TIP3 6826 46.040 84.030 57.694 1.00 0.00 WT2 H ATOM 33394 OH2 TIP3 6827 22.489 3.378 47.277 1.00 0.00 WT2 O ATOM 33395 H1 TIP3 6827 22.152 3.259 46.388 1.00 0.00 WT2 H ATOM 33396 H2 TIP3 6827 21.746 3.171 47.844 1.00 0.00 WT2 H ATOM 33397 OH2 TIP3 6828 61.099 67.874 30.825 1.00 0.00 WT2 O ATOM 33398 H1 TIP3 6828 61.548 68.451 30.207 1.00 0.00 WT2 H ATOM 33399 H2 TIP3 6828 60.367 67.512 30.326 1.00 0.00 WT2 H ATOM 33400 OH2 TIP3 6831 58.958 26.725 52.046 1.00 0.00 WT2 O ATOM 33401 H1 TIP3 6831 59.518 27.465 52.284 1.00 0.00 WT2 H ATOM 33402 H2 TIP3 6831 58.179 27.128 51.662 1.00 0.00 WT2 H ATOM 33403 OH2 TIP3 6834 58.383 68.452 -3.340 1.00 0.00 WT2 O ATOM 33404 H1 TIP3 6834 57.979 69.195 -2.891 1.00 0.00 WT2 H ATOM 33405 H2 TIP3 6834 57.935 67.685 -2.984 1.00 0.00 WT2 H ATOM 33406 OH2 TIP3 6836 24.644 44.445 -8.508 1.00 0.00 WT2 O ATOM 33407 H1 TIP3 6836 23.749 44.784 -8.494 1.00 0.00 WT2 H ATOM 33408 H2 TIP3 6836 24.896 44.397 -7.586 1.00 0.00 WT2 H ATOM 33409 OH2 TIP3 6846 56.030 63.519 25.873 1.00 0.00 WT2 O ATOM 33410 H1 TIP3 6846 55.622 63.372 25.020 1.00 0.00 WT2 H ATOM 33411 H2 TIP3 6846 56.053 62.653 26.281 1.00 0.00 WT2 H ATOM 33412 OH2 TIP3 6848 33.922 61.427 59.520 1.00 0.00 WT2 O ATOM 33413 H1 TIP3 6848 34.657 61.058 59.030 1.00 0.00 WT2 H ATOM 33414 H2 TIP3 6848 33.424 61.922 58.869 1.00 0.00 WT2 H ATOM 33415 OH2 TIP3 6849 90.169 44.622 30.802 1.00 0.00 WT2 O ATOM 33416 H1 TIP3 6849 89.591 44.294 31.490 1.00 0.00 WT2 H ATOM 33417 H2 TIP3 6849 89.582 45.045 30.175 1.00 0.00 WT2 H ATOM 33418 OH2 TIP3 6850 68.572 70.659 59.230 1.00 0.00 WT2 O ATOM 33419 H1 TIP3 6850 68.674 70.374 60.139 1.00 0.00 WT2 H ATOM 33420 H2 TIP3 6850 67.743 71.137 59.220 1.00 0.00 WT2 H ATOM 33421 OH2 TIP3 6851 45.973 51.850 -5.269 1.00 0.00 WT2 O ATOM 33422 H1 TIP3 6851 46.926 51.800 -5.194 1.00 0.00 WT2 H ATOM 33423 H2 TIP3 6851 45.774 52.783 -5.188 1.00 0.00 WT2 H ATOM 33424 OH2 TIP3 6852 70.886 61.366 -4.671 1.00 0.00 WT2 O ATOM 33425 H1 TIP3 6852 71.078 60.683 -4.028 1.00 0.00 WT2 H ATOM 33426 H2 TIP3 6852 70.115 61.046 -5.138 1.00 0.00 WT2 H ATOM 33427 OH2 TIP3 6853 42.466 29.932 -10.229 1.00 0.00 WT2 O ATOM 33428 H1 TIP3 6853 42.035 30.781 -10.328 1.00 0.00 WT2 H ATOM 33429 H2 TIP3 6853 42.166 29.422 -10.982 1.00 0.00 WT2 H ATOM 33430 OH2 TIP3 6854 49.300 6.167 18.475 1.00 0.00 WT2 O ATOM 33431 H1 TIP3 6854 50.005 6.814 18.494 1.00 0.00 WT2 H ATOM 33432 H2 TIP3 6854 48.792 6.389 17.695 1.00 0.00 WT2 H ATOM 33433 OH2 TIP3 6855 66.585 17.367 -0.744 1.00 0.00 WT2 O ATOM 33434 H1 TIP3 6855 67.505 17.444 -0.492 1.00 0.00 WT2 H ATOM 33435 H2 TIP3 6855 66.215 18.233 -0.570 1.00 0.00 WT2 H ATOM 33436 OH2 TIP3 6866 36.133 67.503 50.116 1.00 0.00 WT2 O ATOM 33437 H1 TIP3 6866 35.670 68.124 49.555 1.00 0.00 WT2 H ATOM 33438 H2 TIP3 6866 36.342 66.768 49.539 1.00 0.00 WT2 H ATOM 33439 OH2 TIP3 6867 85.454 25.419 51.928 1.00 0.00 WT2 O ATOM 33440 H1 TIP3 6867 84.558 25.138 51.742 1.00 0.00 WT2 H ATOM 33441 H2 TIP3 6867 85.856 24.668 52.363 1.00 0.00 WT2 H ATOM 33442 OH2 TIP3 6869 60.660 70.905 -11.572 1.00 0.00 WT2 O ATOM 33443 H1 TIP3 6869 61.575 71.092 -11.363 1.00 0.00 WT2 H ATOM 33444 H2 TIP3 6869 60.255 70.713 -10.726 1.00 0.00 WT2 H ATOM 33445 OH2 TIP3 6870 36.289 30.262 42.510 1.00 0.00 WT2 O ATOM 33446 H1 TIP3 6870 37.108 30.683 42.771 1.00 0.00 WT2 H ATOM 33447 H2 TIP3 6870 36.563 29.450 42.082 1.00 0.00 WT2 H ATOM 33448 OH2 TIP3 6872 65.288 50.401 41.949 1.00 0.00 WT2 O ATOM 33449 H1 TIP3 6872 64.571 50.897 41.555 1.00 0.00 WT2 H ATOM 33450 H2 TIP3 6872 65.764 51.044 42.475 1.00 0.00 WT2 H ATOM 33451 OH2 TIP3 6874 32.093 23.902 26.138 1.00 0.00 WT2 O ATOM 33452 H1 TIP3 6874 32.761 24.587 26.147 1.00 0.00 WT2 H ATOM 33453 H2 TIP3 6874 31.748 23.916 25.245 1.00 0.00 WT2 H ATOM 33454 OH2 TIP3 6886 27.677 47.016 38.262 1.00 0.00 WT2 O ATOM 33455 H1 TIP3 6886 26.960 46.777 37.675 1.00 0.00 WT2 H ATOM 33456 H2 TIP3 6886 27.663 46.344 38.944 1.00 0.00 WT2 H ATOM 33457 OH2 TIP3 6887 73.807 27.865 12.203 1.00 0.00 WT2 O ATOM 33458 H1 TIP3 6887 73.845 27.940 13.156 1.00 0.00 WT2 H ATOM 33459 H2 TIP3 6887 73.509 26.969 12.044 1.00 0.00 WT2 H ATOM 33460 OH2 TIP3 6889 46.898 64.135 -10.682 1.00 0.00 WT2 O ATOM 33461 H1 TIP3 6889 46.046 64.016 -11.101 1.00 0.00 WT2 H ATOM 33462 H2 TIP3 6889 46.763 63.849 -9.779 1.00 0.00 WT2 H ATOM 33463 OH2 TIP3 6890 43.088 78.321 28.349 1.00 0.00 WT2 O ATOM 33464 H1 TIP3 6890 43.876 77.963 28.757 1.00 0.00 WT2 H ATOM 33465 H2 TIP3 6890 42.505 77.568 28.252 1.00 0.00 WT2 H ATOM 33466 OH2 TIP3 6893 82.432 11.895 -1.395 1.00 0.00 WT2 O ATOM 33467 H1 TIP3 6893 82.295 10.970 -1.601 1.00 0.00 WT2 H ATOM 33468 H2 TIP3 6893 81.580 12.199 -1.080 1.00 0.00 WT2 H ATOM 33469 OH2 TIP3 6896 46.080 77.762 9.121 1.00 0.00 WT2 O ATOM 33470 H1 TIP3 6896 46.115 77.174 8.366 1.00 0.00 WT2 H ATOM 33471 H2 TIP3 6896 46.756 78.417 8.947 1.00 0.00 WT2 H ATOM 33472 OH2 TIP3 6910 20.470 49.889 15.060 1.00 0.00 WT2 O ATOM 33473 H1 TIP3 6910 21.055 50.377 14.480 1.00 0.00 WT2 H ATOM 33474 H2 TIP3 6910 20.048 49.246 14.490 1.00 0.00 WT2 H ATOM 33475 OH2 TIP3 6911 30.753 40.611 42.927 1.00 0.00 WT2 O ATOM 33476 H1 TIP3 6911 31.543 40.743 42.402 1.00 0.00 WT2 H ATOM 33477 H2 TIP3 6911 30.217 41.385 42.752 1.00 0.00 WT2 H ATOM 33478 OH2 TIP3 6913 40.120 88.117 29.066 1.00 0.00 WT2 O ATOM 33479 H1 TIP3 6913 39.813 88.063 28.161 1.00 0.00 WT2 H ATOM 33480 H2 TIP3 6913 40.498 87.255 29.243 1.00 0.00 WT2 H ATOM 33481 OH2 TIP3 6914 75.808 10.293 -18.902 1.00 0.00 WT2 O ATOM 33482 H1 TIP3 6914 75.132 10.294 -18.225 1.00 0.00 WT2 H ATOM 33483 H2 TIP3 6914 75.442 9.756 -19.606 1.00 0.00 WT2 H ATOM 33484 OH2 TIP3 6915 58.027 8.167 -16.539 1.00 0.00 WT2 O ATOM 33485 H1 TIP3 6915 58.147 9.035 -16.153 1.00 0.00 WT2 H ATOM 33486 H2 TIP3 6915 58.086 8.314 -17.483 1.00 0.00 WT2 H ATOM 33487 OH2 TIP3 6916 65.396 96.255 22.086 1.00 0.00 WT2 O ATOM 33488 H1 TIP3 6916 66.061 96.352 21.404 1.00 0.00 WT2 H ATOM 33489 H2 TIP3 6916 64.568 96.206 21.609 1.00 0.00 WT2 H ATOM 33490 OH2 TIP3 6919 83.135 79.282 37.888 1.00 0.00 WT2 O ATOM 33491 H1 TIP3 6919 82.536 79.992 37.657 1.00 0.00 WT2 H ATOM 33492 H2 TIP3 6919 82.811 78.526 37.399 1.00 0.00 WT2 H ATOM 33493 OH2 TIP3 6928 57.026 51.302 -14.070 1.00 0.00 WT2 O ATOM 33494 H1 TIP3 6928 57.968 51.218 -13.918 1.00 0.00 WT2 H ATOM 33495 H2 TIP3 6928 56.767 52.063 -13.552 1.00 0.00 WT2 H ATOM 33496 OH2 TIP3 6932 66.420 35.117 50.808 1.00 0.00 WT2 O ATOM 33497 H1 TIP3 6932 67.264 35.568 50.814 1.00 0.00 WT2 H ATOM 33498 H2 TIP3 6932 65.911 35.569 50.135 1.00 0.00 WT2 H ATOM 33499 OH2 TIP3 6933 70.633 76.436 31.174 1.00 0.00 WT2 O ATOM 33500 H1 TIP3 6933 70.243 75.839 30.535 1.00 0.00 WT2 H ATOM 33501 H2 TIP3 6933 69.904 76.981 31.470 1.00 0.00 WT2 H ATOM 33502 OH2 TIP3 6935 68.342 54.786 7.917 1.00 0.00 WT2 O ATOM 33503 H1 TIP3 6935 69.156 55.074 8.329 1.00 0.00 WT2 H ATOM 33504 H2 TIP3 6935 67.677 54.894 8.597 1.00 0.00 WT2 H ATOM 33505 OH2 TIP3 6936 66.860 26.589 44.026 1.00 0.00 WT2 O ATOM 33506 H1 TIP3 6936 66.141 26.886 44.583 1.00 0.00 WT2 H ATOM 33507 H2 TIP3 6936 67.578 27.193 44.218 1.00 0.00 WT2 H ATOM 33508 OH2 TIP3 6952 80.498 3.038 -13.090 1.00 0.00 WT2 O ATOM 33509 H1 TIP3 6952 81.425 3.273 -13.136 1.00 0.00 WT2 H ATOM 33510 H2 TIP3 6952 80.365 2.764 -12.183 1.00 0.00 WT2 H ATOM 33511 OH2 TIP3 6953 55.108 31.670 34.420 1.00 0.00 WT2 O ATOM 33512 H1 TIP3 6953 54.968 32.608 34.551 1.00 0.00 WT2 H ATOM 33513 H2 TIP3 6953 54.272 31.268 34.658 1.00 0.00 WT2 H ATOM 33514 OH2 TIP3 6955 44.537 71.394 29.578 1.00 0.00 WT2 O ATOM 33515 H1 TIP3 6955 45.457 71.348 29.318 1.00 0.00 WT2 H ATOM 33516 H2 TIP3 6955 44.491 70.888 30.389 1.00 0.00 WT2 H ATOM 33517 OH2 TIP3 6957 70.564 32.836 27.704 1.00 0.00 WT2 O ATOM 33518 H1 TIP3 6957 70.574 33.070 26.776 1.00 0.00 WT2 H ATOM 33519 H2 TIP3 6957 70.527 31.880 27.710 1.00 0.00 WT2 H ATOM 33520 OH2 TIP3 6959 45.040 53.447 -16.890 1.00 0.00 WT2 O ATOM 33521 H1 TIP3 6959 44.115 53.668 -16.780 1.00 0.00 WT2 H ATOM 33522 H2 TIP3 6959 45.344 53.237 -16.007 1.00 0.00 WT2 H ATOM 33523 OH2 TIP3 6970 88.475 90.538 39.890 1.00 0.00 WT2 O ATOM 33524 H1 TIP3 6970 88.397 89.587 39.963 1.00 0.00 WT2 H ATOM 33525 H2 TIP3 6970 89.417 90.705 39.929 1.00 0.00 WT2 H ATOM 33526 OH2 TIP3 6973 63.584 48.937 -5.826 1.00 0.00 WT2 O ATOM 33527 H1 TIP3 6973 63.740 48.577 -4.952 1.00 0.00 WT2 H ATOM 33528 H2 TIP3 6973 62.630 48.954 -5.911 1.00 0.00 WT2 H ATOM 33529 OH2 TIP3 6975 63.395 91.142 -18.981 1.00 0.00 WT2 O ATOM 33530 H1 TIP3 6975 63.968 91.783 -18.561 1.00 0.00 WT2 H ATOM 33531 H2 TIP3 6975 62.519 91.521 -18.909 1.00 0.00 WT2 H ATOM 33532 OH2 TIP3 6977 47.700 32.173 34.606 1.00 0.00 WT2 O ATOM 33533 H1 TIP3 6977 47.328 32.447 35.444 1.00 0.00 WT2 H ATOM 33534 H2 TIP3 6977 47.864 32.991 34.137 1.00 0.00 WT2 H ATOM 33535 OH2 TIP3 6978 58.275 41.417 46.438 1.00 0.00 WT2 O ATOM 33536 H1 TIP3 6978 59.064 41.723 45.990 1.00 0.00 WT2 H ATOM 33537 H2 TIP3 6978 57.554 41.828 45.962 1.00 0.00 WT2 H ATOM 33538 OH2 TIP3 6980 37.649 30.982 1.930 1.00 0.00 WT2 O ATOM 33539 H1 TIP3 6980 36.716 31.158 2.047 1.00 0.00 WT2 H ATOM 33540 H2 TIP3 6980 37.792 30.143 2.367 1.00 0.00 WT2 H ATOM 33541 OH2 TIP3 6993 49.566 53.388 43.506 1.00 0.00 WT2 O ATOM 33542 H1 TIP3 6993 48.847 53.993 43.323 1.00 0.00 WT2 H ATOM 33543 H2 TIP3 6993 49.540 52.759 42.785 1.00 0.00 WT2 H ATOM 33544 OH2 TIP3 6995 39.884 36.677 56.502 1.00 0.00 WT2 O ATOM 33545 H1 TIP3 6995 39.310 37.425 56.667 1.00 0.00 WT2 H ATOM 33546 H2 TIP3 6995 40.597 37.033 55.973 1.00 0.00 WT2 H ATOM 33547 OH2 TIP3 6997 36.116 56.979 24.204 1.00 0.00 WT2 O ATOM 33548 H1 TIP3 6997 36.201 57.923 24.071 1.00 0.00 WT2 H ATOM 33549 H2 TIP3 6997 36.501 56.822 25.066 1.00 0.00 WT2 H ATOM 33550 OH2 TIP3 6998 74.671 52.961 57.513 1.00 0.00 WT2 O ATOM 33551 H1 TIP3 6998 75.054 52.528 58.276 1.00 0.00 WT2 H ATOM 33552 H2 TIP3 6998 73.808 53.251 57.809 1.00 0.00 WT2 H ATOM 33553 OH2 TIP3 6999 77.484 40.868 45.803 1.00 0.00 WT2 O ATOM 33554 H1 TIP3 6999 77.992 40.185 45.367 1.00 0.00 WT2 H ATOM 33555 H2 TIP3 6999 77.542 40.654 46.734 1.00 0.00 WT2 H ATOM 33556 OH2 TIP3 7000 53.975 42.195 -11.814 1.00 0.00 WT2 O ATOM 33557 H1 TIP3 7000 53.829 42.931 -11.219 1.00 0.00 WT2 H ATOM 33558 H2 TIP3 7000 53.154 41.703 -11.793 1.00 0.00 WT2 H ATOM 33559 OH2 TIP3 7002 60.414 54.589 -18.074 1.00 0.00 WT2 O ATOM 33560 H1 TIP3 7002 60.218 55.410 -18.525 1.00 0.00 WT2 H ATOM 33561 H2 TIP3 7002 59.870 54.612 -17.287 1.00 0.00 WT2 H ATOM 33562 OH2 TIP3 7015 55.205 17.372 52.390 1.00 0.00 WT2 O ATOM 33563 H1 TIP3 7015 54.391 16.966 52.685 1.00 0.00 WT2 H ATOM 33564 H2 TIP3 7015 55.891 16.921 52.882 1.00 0.00 WT2 H ATOM 33565 OH2 TIP3 7017 45.757 23.638 46.478 1.00 0.00 WT2 O ATOM 33566 H1 TIP3 7017 46.401 23.508 47.175 1.00 0.00 WT2 H ATOM 33567 H2 TIP3 7017 46.161 24.281 45.895 1.00 0.00 WT2 H ATOM 33568 OH2 TIP3 7018 61.303 82.701 -16.723 1.00 0.00 WT2 O ATOM 33569 H1 TIP3 7018 60.689 82.452 -17.414 1.00 0.00 WT2 H ATOM 33570 H2 TIP3 7018 61.601 83.576 -16.970 1.00 0.00 WT2 H ATOM 33571 OH2 TIP3 7019 35.993 90.346 6.168 1.00 0.00 WT2 O ATOM 33572 H1 TIP3 7019 35.232 89.766 6.199 1.00 0.00 WT2 H ATOM 33573 H2 TIP3 7019 35.959 90.739 5.296 1.00 0.00 WT2 H ATOM 33574 OH2 TIP3 7020 24.635 85.896 -12.371 1.00 0.00 WT2 O ATOM 33575 H1 TIP3 7020 24.140 85.292 -12.925 1.00 0.00 WT2 H ATOM 33576 H2 TIP3 7020 25.531 85.850 -12.707 1.00 0.00 WT2 H ATOM 33577 OH2 TIP3 7021 66.540 18.631 -10.887 1.00 0.00 WT2 O ATOM 33578 H1 TIP3 7021 66.857 17.749 -10.690 1.00 0.00 WT2 H ATOM 33579 H2 TIP3 7021 66.816 19.159 -10.138 1.00 0.00 WT2 H ATOM 33580 OH2 TIP3 7023 89.163 57.729 24.916 1.00 0.00 WT2 O ATOM 33581 H1 TIP3 7023 90.049 57.411 24.741 1.00 0.00 WT2 H ATOM 33582 H2 TIP3 7023 88.592 57.113 24.456 1.00 0.00 WT2 H ATOM 33583 OH2 TIP3 7024 38.888 93.398 4.632 1.00 0.00 WT2 O ATOM 33584 H1 TIP3 7024 39.153 93.314 5.548 1.00 0.00 WT2 H ATOM 33585 H2 TIP3 7024 38.364 94.198 4.605 1.00 0.00 WT2 H ATOM 33586 OH2 TIP3 7035 80.112 21.295 47.953 1.00 0.00 WT2 O ATOM 33587 H1 TIP3 7035 80.381 21.796 47.183 1.00 0.00 WT2 H ATOM 33588 H2 TIP3 7035 80.634 20.493 47.912 1.00 0.00 WT2 H ATOM 33589 OH2 TIP3 7038 82.977 82.538 -18.871 1.00 0.00 WT2 O ATOM 33590 H1 TIP3 7038 82.625 82.518 -17.982 1.00 0.00 WT2 H ATOM 33591 H2 TIP3 7038 83.008 83.467 -19.097 1.00 0.00 WT2 H ATOM 33592 OH2 TIP3 7040 50.887 44.243 -19.034 1.00 0.00 WT2 O ATOM 33593 H1 TIP3 7040 51.176 43.333 -19.114 1.00 0.00 WT2 H ATOM 33594 H2 TIP3 7040 51.475 44.732 -19.609 1.00 0.00 WT2 H ATOM 33595 OH2 TIP3 7041 75.569 35.801 8.165 1.00 0.00 WT2 O ATOM 33596 H1 TIP3 7041 75.869 36.509 8.735 1.00 0.00 WT2 H ATOM 33597 H2 TIP3 7041 74.838 35.404 8.639 1.00 0.00 WT2 H ATOM 33598 OH2 TIP3 7042 57.529 5.518 -4.601 1.00 0.00 WT2 O ATOM 33599 H1 TIP3 7042 56.608 5.676 -4.394 1.00 0.00 WT2 H ATOM 33600 H2 TIP3 7042 57.887 5.112 -3.811 1.00 0.00 WT2 H ATOM 33601 OH2 TIP3 7043 36.639 20.345 45.489 1.00 0.00 WT2 O ATOM 33602 H1 TIP3 7043 36.618 19.653 44.828 1.00 0.00 WT2 H ATOM 33603 H2 TIP3 7043 36.218 19.957 46.256 1.00 0.00 WT2 H ATOM 33604 OH2 TIP3 7044 41.048 37.313 -8.178 1.00 0.00 WT2 O ATOM 33605 H1 TIP3 7044 41.544 37.942 -7.654 1.00 0.00 WT2 H ATOM 33606 H2 TIP3 7044 40.392 37.843 -8.632 1.00 0.00 WT2 H ATOM 33607 OH2 TIP3 7052 76.165 78.684 34.046 1.00 0.00 WT2 O ATOM 33608 H1 TIP3 7052 76.930 79.261 34.039 1.00 0.00 WT2 H ATOM 33609 H2 TIP3 7052 75.861 78.700 34.954 1.00 0.00 WT2 H ATOM 33610 OH2 TIP3 7058 21.592 29.661 25.104 1.00 0.00 WT2 O ATOM 33611 H1 TIP3 7058 21.580 30.529 24.699 1.00 0.00 WT2 H ATOM 33612 H2 TIP3 7058 21.931 29.082 24.421 1.00 0.00 WT2 H ATOM 33613 OH2 TIP3 7059 35.306 75.951 41.371 1.00 0.00 WT2 O ATOM 33614 H1 TIP3 7059 35.658 75.064 41.295 1.00 0.00 WT2 H ATOM 33615 H2 TIP3 7059 35.596 76.394 40.573 1.00 0.00 WT2 H ATOM 33616 OH2 TIP3 7061 26.728 55.429 45.286 1.00 0.00 WT2 O ATOM 33617 H1 TIP3 7061 26.312 54.579 45.431 1.00 0.00 WT2 H ATOM 33618 H2 TIP3 7061 26.176 55.857 44.632 1.00 0.00 WT2 H ATOM 33619 OH2 TIP3 7062 81.946 95.698 1.508 1.00 0.00 WT2 O ATOM 33620 H1 TIP3 7062 82.117 94.771 1.340 1.00 0.00 WT2 H ATOM 33621 H2 TIP3 7062 82.500 96.162 0.881 1.00 0.00 WT2 H ATOM 33622 OH2 TIP3 7063 73.019 13.242 57.537 1.00 0.00 WT2 O ATOM 33623 H1 TIP3 7063 72.863 14.186 57.557 1.00 0.00 WT2 H ATOM 33624 H2 TIP3 7063 73.784 13.137 56.971 1.00 0.00 WT2 H ATOM 33625 OH2 TIP3 7064 47.369 7.913 -19.887 1.00 0.00 WT2 O ATOM 33626 H1 TIP3 7064 47.661 8.774 -19.588 1.00 0.00 WT2 H ATOM 33627 H2 TIP3 7064 46.413 7.966 -19.873 1.00 0.00 WT2 H ATOM 33628 OH2 TIP3 7065 39.825 74.631 62.490 1.00 0.00 WT2 O ATOM 33629 H1 TIP3 7065 40.782 74.663 62.493 1.00 0.00 WT2 H ATOM 33630 H2 TIP3 7065 39.616 73.726 62.261 1.00 0.00 WT2 H ATOM 33631 OH2 TIP3 7066 75.108 72.461 -16.396 1.00 0.00 WT2 O ATOM 33632 H1 TIP3 7066 75.677 71.993 -15.784 1.00 0.00 WT2 H ATOM 33633 H2 TIP3 7066 74.439 72.864 -15.843 1.00 0.00 WT2 H ATOM 33634 OH2 TIP3 7076 89.418 96.222 41.382 1.00 0.00 WT2 O ATOM 33635 H1 TIP3 7076 88.908 96.124 40.578 1.00 0.00 WT2 H ATOM 33636 H2 TIP3 7076 90.141 96.800 41.138 1.00 0.00 WT2 H ATOM 33637 OH2 TIP3 7078 71.853 41.096 12.750 1.00 0.00 WT2 O ATOM 33638 H1 TIP3 7078 71.118 40.995 13.355 1.00 0.00 WT2 H ATOM 33639 H2 TIP3 7078 71.523 41.679 12.067 1.00 0.00 WT2 H ATOM 33640 OH2 TIP3 7081 51.187 25.000 43.484 1.00 0.00 WT2 O ATOM 33641 H1 TIP3 7081 50.865 24.421 42.793 1.00 0.00 WT2 H ATOM 33642 H2 TIP3 7081 50.705 25.817 43.357 1.00 0.00 WT2 H ATOM 33643 OH2 TIP3 7100 72.882 5.156 12.881 1.00 0.00 WT2 O ATOM 33644 H1 TIP3 7100 73.456 5.101 12.118 1.00 0.00 WT2 H ATOM 33645 H2 TIP3 7100 73.317 4.625 13.548 1.00 0.00 WT2 H ATOM 33646 OH2 TIP3 7101 22.174 82.862 28.936 1.00 0.00 WT2 O ATOM 33647 H1 TIP3 7101 22.544 82.395 28.187 1.00 0.00 WT2 H ATOM 33648 H2 TIP3 7101 22.203 83.784 28.681 1.00 0.00 WT2 H ATOM 33649 OH2 TIP3 7102 32.711 95.474 3.905 1.00 0.00 WT2 O ATOM 33650 H1 TIP3 7102 32.303 95.090 3.129 1.00 0.00 WT2 H ATOM 33651 H2 TIP3 7102 32.510 94.858 4.610 1.00 0.00 WT2 H ATOM 33652 OH2 TIP3 7104 80.611 12.618 -3.881 1.00 0.00 WT2 O ATOM 33653 H1 TIP3 7104 81.276 12.716 -3.199 1.00 0.00 WT2 H ATOM 33654 H2 TIP3 7104 81.013 12.994 -4.664 1.00 0.00 WT2 H ATOM 33655 OH2 TIP3 7107 89.911 6.386 39.358 1.00 0.00 WT2 O ATOM 33656 H1 TIP3 7107 90.012 5.679 39.995 1.00 0.00 WT2 H ATOM 33657 H2 TIP3 7107 90.139 7.180 39.842 1.00 0.00 WT2 H ATOM 33658 OH2 TIP3 7120 48.135 74.824 41.501 1.00 0.00 WT2 O ATOM 33659 H1 TIP3 7120 47.906 75.704 41.799 1.00 0.00 WT2 H ATOM 33660 H2 TIP3 7120 48.069 74.868 40.548 1.00 0.00 WT2 H ATOM 33661 OH2 TIP3 7121 50.892 83.045 28.817 1.00 0.00 WT2 O ATOM 33662 H1 TIP3 7121 50.280 83.115 29.549 1.00 0.00 WT2 H ATOM 33663 H2 TIP3 7121 51.183 82.133 28.833 1.00 0.00 WT2 H ATOM 33664 OH2 TIP3 7122 37.178 56.445 10.671 1.00 0.00 WT2 O ATOM 33665 H1 TIP3 7122 36.798 56.930 11.403 1.00 0.00 WT2 H ATOM 33666 H2 TIP3 7122 38.051 56.196 10.975 1.00 0.00 WT2 H ATOM 33667 OH2 TIP3 7123 51.312 8.230 32.613 1.00 0.00 WT2 O ATOM 33668 H1 TIP3 7123 51.619 8.881 31.982 1.00 0.00 WT2 H ATOM 33669 H2 TIP3 7123 51.656 8.530 33.454 1.00 0.00 WT2 H ATOM 33670 OH2 TIP3 7124 71.144 50.760 26.502 1.00 0.00 WT2 O ATOM 33671 H1 TIP3 7124 70.546 51.507 26.534 1.00 0.00 WT2 H ATOM 33672 H2 TIP3 7124 70.701 50.076 27.003 1.00 0.00 WT2 H ATOM 33673 OH2 TIP3 7125 79.221 45.242 59.023 1.00 0.00 WT2 O ATOM 33674 H1 TIP3 7125 80.057 45.697 58.920 1.00 0.00 WT2 H ATOM 33675 H2 TIP3 7125 78.720 45.484 58.245 1.00 0.00 WT2 H ATOM 33676 OH2 TIP3 7128 76.552 1.037 59.534 1.00 0.00 WT2 O ATOM 33677 H1 TIP3 7128 77.487 0.976 59.342 1.00 0.00 WT2 H ATOM 33678 H2 TIP3 7128 76.261 0.128 59.601 1.00 0.00 WT2 H ATOM 33679 OH2 TIP3 7141 28.464 24.302 2.219 1.00 0.00 WT2 O ATOM 33680 H1 TIP3 7141 28.728 24.700 3.048 1.00 0.00 WT2 H ATOM 33681 H2 TIP3 7141 29.036 24.706 1.566 1.00 0.00 WT2 H ATOM 33682 OH2 TIP3 7142 27.355 49.239 5.561 1.00 0.00 WT2 O ATOM 33683 H1 TIP3 7142 27.433 48.531 4.922 1.00 0.00 WT2 H ATOM 33684 H2 TIP3 7142 28.259 49.486 5.757 1.00 0.00 WT2 H ATOM 33685 OH2 TIP3 7143 31.581 22.558 11.718 1.00 0.00 WT2 O ATOM 33686 H1 TIP3 7143 32.446 22.178 11.870 1.00 0.00 WT2 H ATOM 33687 H2 TIP3 7143 30.976 21.821 11.808 1.00 0.00 WT2 H ATOM 33688 OH2 TIP3 7144 53.214 12.263 49.840 1.00 0.00 WT2 O ATOM 33689 H1 TIP3 7144 52.839 11.432 49.549 1.00 0.00 WT2 H ATOM 33690 H2 TIP3 7144 53.924 12.013 50.430 1.00 0.00 WT2 H ATOM 33691 OH2 TIP3 7145 76.507 53.026 34.702 1.00 0.00 WT2 O ATOM 33692 H1 TIP3 7145 76.810 53.429 33.888 1.00 0.00 WT2 H ATOM 33693 H2 TIP3 7145 75.747 53.547 34.959 1.00 0.00 WT2 H ATOM 33694 OH2 TIP3 7146 49.010 86.454 64.552 1.00 0.00 WT2 O ATOM 33695 H1 TIP3 7146 48.707 86.017 65.348 1.00 0.00 WT2 H ATOM 33696 H2 TIP3 7146 49.552 85.800 64.111 1.00 0.00 WT2 H ATOM 33697 OH2 TIP3 7147 43.987 10.689 54.484 1.00 0.00 WT2 O ATOM 33698 H1 TIP3 7147 44.437 11.503 54.256 1.00 0.00 WT2 H ATOM 33699 H2 TIP3 7147 44.474 10.008 54.021 1.00 0.00 WT2 H ATOM 33700 OH2 TIP3 7148 87.874 23.124 37.414 1.00 0.00 WT2 O ATOM 33701 H1 TIP3 7148 88.717 23.568 37.323 1.00 0.00 WT2 H ATOM 33702 H2 TIP3 7148 87.915 22.705 38.274 1.00 0.00 WT2 H ATOM 33703 OH2 TIP3 7161 51.816 40.565 -7.389 1.00 0.00 WT2 O ATOM 33704 H1 TIP3 7161 51.104 41.203 -7.431 1.00 0.00 WT2 H ATOM 33705 H2 TIP3 7161 52.294 40.792 -6.592 1.00 0.00 WT2 H ATOM 33706 OH2 TIP3 7166 35.639 79.336 22.131 1.00 0.00 WT2 O ATOM 33707 H1 TIP3 7166 36.229 79.268 22.882 1.00 0.00 WT2 H ATOM 33708 H2 TIP3 7166 35.306 78.447 22.007 1.00 0.00 WT2 H ATOM 33709 OH2 TIP3 7179 75.372 74.741 -19.037 1.00 0.00 WT2 O ATOM 33710 H1 TIP3 7179 74.450 74.805 -19.285 1.00 0.00 WT2 H ATOM 33711 H2 TIP3 7179 75.847 75.111 -19.782 1.00 0.00 WT2 H ATOM 33712 OH2 TIP3 7181 31.936 75.602 32.819 1.00 0.00 WT2 O ATOM 33713 H1 TIP3 7181 32.771 75.775 32.384 1.00 0.00 WT2 H ATOM 33714 H2 TIP3 7181 32.040 75.972 33.696 1.00 0.00 WT2 H ATOM 33715 OH2 TIP3 7182 83.910 2.319 63.163 1.00 0.00 WT2 O ATOM 33716 H1 TIP3 7182 83.515 1.902 63.929 1.00 0.00 WT2 H ATOM 33717 H2 TIP3 7182 83.488 3.176 63.112 1.00 0.00 WT2 H ATOM 33718 OH2 TIP3 7183 69.011 21.811 63.101 1.00 0.00 WT2 O ATOM 33719 H1 TIP3 7183 68.974 21.560 62.178 1.00 0.00 WT2 H ATOM 33720 H2 TIP3 7183 69.571 22.587 63.116 1.00 0.00 WT2 H ATOM 33721 OH2 TIP3 7184 31.870 30.618 -15.701 1.00 0.00 WT2 O ATOM 33722 H1 TIP3 7184 32.001 30.784 -14.768 1.00 0.00 WT2 H ATOM 33723 H2 TIP3 7184 32.743 30.702 -16.085 1.00 0.00 WT2 H ATOM 33724 OH2 TIP3 7185 30.325 1.023 23.237 1.00 0.00 WT2 O ATOM 33725 H1 TIP3 7185 31.183 0.661 23.460 1.00 0.00 WT2 H ATOM 33726 H2 TIP3 7185 29.761 0.771 23.968 1.00 0.00 WT2 H ATOM 33727 OH2 TIP3 7186 73.080 6.290 0.137 1.00 0.00 WT2 O ATOM 33728 H1 TIP3 7186 72.566 7.070 0.348 1.00 0.00 WT2 H ATOM 33729 H2 TIP3 7186 72.549 5.819 -0.505 1.00 0.00 WT2 H ATOM 33730 OH2 TIP3 7187 65.301 55.317 -16.276 1.00 0.00 WT2 O ATOM 33731 H1 TIP3 7187 64.799 55.733 -15.575 1.00 0.00 WT2 H ATOM 33732 H2 TIP3 7187 66.129 55.069 -15.864 1.00 0.00 WT2 H ATOM 33733 OH2 TIP3 7188 80.628 18.575 58.361 1.00 0.00 WT2 O ATOM 33734 H1 TIP3 7188 80.239 18.202 59.152 1.00 0.00 WT2 H ATOM 33735 H2 TIP3 7188 80.537 19.521 58.472 1.00 0.00 WT2 H ATOM 33736 OH2 TIP3 7189 25.648 14.539 51.028 1.00 0.00 WT2 O ATOM 33737 H1 TIP3 7189 25.626 13.584 50.963 1.00 0.00 WT2 H ATOM 33738 H2 TIP3 7189 25.564 14.718 51.965 1.00 0.00 WT2 H ATOM 33739 OH2 TIP3 7200 65.064 3.961 22.493 1.00 0.00 WT2 O ATOM 33740 H1 TIP3 7200 64.132 3.802 22.642 1.00 0.00 WT2 H ATOM 33741 H2 TIP3 7200 65.090 4.758 21.964 1.00 0.00 WT2 H ATOM 33742 OH2 TIP3 7203 73.582 60.502 45.460 1.00 0.00 WT2 O ATOM 33743 H1 TIP3 7203 73.831 60.433 46.382 1.00 0.00 WT2 H ATOM 33744 H2 TIP3 7203 72.664 60.233 45.439 1.00 0.00 WT2 H ATOM 33745 OH2 TIP3 7206 64.486 67.202 -18.167 1.00 0.00 WT2 O ATOM 33746 H1 TIP3 7206 64.705 66.336 -17.823 1.00 0.00 WT2 H ATOM 33747 H2 TIP3 7206 65.130 67.355 -18.859 1.00 0.00 WT2 H ATOM 33748 OH2 TIP3 7207 80.246 38.099 37.939 1.00 0.00 WT2 O ATOM 33749 H1 TIP3 7207 80.971 38.716 38.041 1.00 0.00 WT2 H ATOM 33750 H2 TIP3 7207 80.422 37.414 38.583 1.00 0.00 WT2 H ATOM 33751 OH2 TIP3 7210 54.960 92.159 -12.976 1.00 0.00 WT2 O ATOM 33752 H1 TIP3 7210 55.422 91.342 -13.164 1.00 0.00 WT2 H ATOM 33753 H2 TIP3 7210 54.218 91.895 -12.432 1.00 0.00 WT2 H ATOM 33754 OH2 TIP3 7211 85.781 18.683 57.751 1.00 0.00 WT2 O ATOM 33755 H1 TIP3 7211 86.460 18.162 57.322 1.00 0.00 WT2 H ATOM 33756 H2 TIP3 7211 85.166 18.037 58.097 1.00 0.00 WT2 H ATOM 33757 OH2 TIP3 7212 49.951 54.185 -0.369 1.00 0.00 WT2 O ATOM 33758 H1 TIP3 7212 49.985 55.095 -0.664 1.00 0.00 WT2 H ATOM 33759 H2 TIP3 7212 50.403 54.190 0.475 1.00 0.00 WT2 H ATOM 33760 OH2 TIP3 7213 23.624 19.628 46.060 1.00 0.00 WT2 O ATOM 33761 H1 TIP3 7213 24.406 19.729 45.517 1.00 0.00 WT2 H ATOM 33762 H2 TIP3 7213 23.332 20.524 46.229 1.00 0.00 WT2 H ATOM 33763 OH2 TIP3 7222 86.849 92.731 3.215 1.00 0.00 WT2 O ATOM 33764 H1 TIP3 7222 86.782 92.620 4.163 1.00 0.00 WT2 H ATOM 33765 H2 TIP3 7222 86.603 91.879 2.856 1.00 0.00 WT2 H ATOM 33766 OH2 TIP3 7226 25.103 33.015 64.035 1.00 0.00 WT2 O ATOM 33767 H1 TIP3 7226 25.246 33.217 64.960 1.00 0.00 WT2 H ATOM 33768 H2 TIP3 7226 24.256 33.411 63.831 1.00 0.00 WT2 H ATOM 33769 OH2 TIP3 7227 51.622 21.534 30.682 1.00 0.00 WT2 O ATOM 33770 H1 TIP3 7227 52.458 21.191 30.366 1.00 0.00 WT2 H ATOM 33771 H2 TIP3 7227 50.961 21.035 30.202 1.00 0.00 WT2 H ATOM 33772 OH2 TIP3 7228 20.549 8.497 -13.271 1.00 0.00 WT2 O ATOM 33773 H1 TIP3 7228 19.999 8.822 -13.984 1.00 0.00 WT2 H ATOM 33774 H2 TIP3 7228 21.235 9.159 -13.178 1.00 0.00 WT2 H ATOM 33775 OH2 TIP3 7229 61.182 52.886 57.831 1.00 0.00 WT2 O ATOM 33776 H1 TIP3 7229 60.820 52.144 58.316 1.00 0.00 WT2 H ATOM 33777 H2 TIP3 7229 61.130 52.620 56.913 1.00 0.00 WT2 H ATOM 33778 OH2 TIP3 7230 31.357 23.962 -3.784 1.00 0.00 WT2 O ATOM 33779 H1 TIP3 7230 30.911 24.564 -4.379 1.00 0.00 WT2 H ATOM 33780 H2 TIP3 7230 32.287 24.078 -3.977 1.00 0.00 WT2 H ATOM 33781 OH2 TIP3 7246 41.292 43.327 25.521 1.00 0.00 WT2 O ATOM 33782 H1 TIP3 7246 42.215 43.162 25.329 1.00 0.00 WT2 H ATOM 33783 H2 TIP3 7246 41.150 44.236 25.254 1.00 0.00 WT2 H ATOM 33784 OH2 TIP3 7247 62.829 96.161 -14.250 1.00 0.00 WT2 O ATOM 33785 H1 TIP3 7247 62.788 96.935 -14.812 1.00 0.00 WT2 H ATOM 33786 H2 TIP3 7247 62.249 95.527 -14.673 1.00 0.00 WT2 H ATOM 33787 OH2 TIP3 7248 74.313 17.131 64.204 1.00 0.00 WT2 O ATOM 33788 H1 TIP3 7248 74.770 16.292 64.251 1.00 0.00 WT2 H ATOM 33789 H2 TIP3 7248 73.701 17.113 64.940 1.00 0.00 WT2 H ATOM 33790 OH2 TIP3 7249 24.963 35.451 39.749 1.00 0.00 WT2 O ATOM 33791 H1 TIP3 7249 24.993 36.245 39.216 1.00 0.00 WT2 H ATOM 33792 H2 TIP3 7249 24.366 34.869 39.278 1.00 0.00 WT2 H ATOM 33793 OH2 TIP3 7250 79.885 92.967 62.355 1.00 0.00 WT2 O ATOM 33794 H1 TIP3 7250 79.798 93.138 61.417 1.00 0.00 WT2 H ATOM 33795 H2 TIP3 7250 79.311 93.611 62.770 1.00 0.00 WT2 H ATOM 33796 OH2 TIP3 7251 42.270 23.162 42.485 1.00 0.00 WT2 O ATOM 33797 H1 TIP3 7251 41.793 22.357 42.283 1.00 0.00 WT2 H ATOM 33798 H2 TIP3 7251 42.764 22.954 43.279 1.00 0.00 WT2 H ATOM 33799 OH2 TIP3 7253 55.839 93.228 39.372 1.00 0.00 WT2 O ATOM 33800 H1 TIP3 7253 55.341 93.665 38.681 1.00 0.00 WT2 H ATOM 33801 H2 TIP3 7253 56.604 92.866 38.924 1.00 0.00 WT2 H ATOM 33802 OH2 TIP3 7254 54.157 92.906 65.813 1.00 0.00 WT2 O ATOM 33803 H1 TIP3 7254 54.805 93.596 65.675 1.00 0.00 WT2 H ATOM 33804 H2 TIP3 7254 53.379 93.366 66.128 1.00 0.00 WT2 H ATOM 33805 OH2 TIP3 7264 53.253 44.143 -10.091 1.00 0.00 WT2 O ATOM 33806 H1 TIP3 7264 53.660 45.001 -10.204 1.00 0.00 WT2 H ATOM 33807 H2 TIP3 7264 53.562 43.840 -9.237 1.00 0.00 WT2 H ATOM 33808 OH2 TIP3 7267 75.729 65.018 38.291 1.00 0.00 WT2 O ATOM 33809 H1 TIP3 7267 76.290 65.439 38.942 1.00 0.00 WT2 H ATOM 33810 H2 TIP3 7267 74.879 65.445 38.394 1.00 0.00 WT2 H ATOM 33811 OH2 TIP3 7268 37.529 49.320 58.711 1.00 0.00 WT2 O ATOM 33812 H1 TIP3 7268 37.557 49.600 57.796 1.00 0.00 WT2 H ATOM 33813 H2 TIP3 7268 38.319 49.694 59.101 1.00 0.00 WT2 H ATOM 33814 OH2 TIP3 7269 73.361 11.289 38.850 1.00 0.00 WT2 O ATOM 33815 H1 TIP3 7269 73.583 12.219 38.816 1.00 0.00 WT2 H ATOM 33816 H2 TIP3 7269 73.795 10.967 39.640 1.00 0.00 WT2 H ATOM 33817 OH2 TIP3 7270 30.581 24.534 49.789 1.00 0.00 WT2 O ATOM 33818 H1 TIP3 7270 31.148 24.057 49.182 1.00 0.00 WT2 H ATOM 33819 H2 TIP3 7270 30.385 23.903 50.481 1.00 0.00 WT2 H ATOM 33820 OH2 TIP3 7271 85.398 67.126 -19.153 1.00 0.00 WT2 O ATOM 33821 H1 TIP3 7271 85.284 68.027 -18.850 1.00 0.00 WT2 H ATOM 33822 H2 TIP3 7271 85.744 66.659 -18.393 1.00 0.00 WT2 H ATOM 33823 OH2 TIP3 7272 54.519 22.992 16.018 1.00 0.00 WT2 O ATOM 33824 H1 TIP3 7272 53.786 22.475 15.684 1.00 0.00 WT2 H ATOM 33825 H2 TIP3 7272 54.298 23.895 15.791 1.00 0.00 WT2 H ATOM 33826 OH2 TIP3 7273 26.928 48.927 12.911 1.00 0.00 WT2 O ATOM 33827 H1 TIP3 7273 26.701 49.755 12.488 1.00 0.00 WT2 H ATOM 33828 H2 TIP3 7273 26.096 48.595 13.250 1.00 0.00 WT2 H ATOM 33829 OH2 TIP3 7276 89.571 81.778 -5.498 1.00 0.00 WT2 O ATOM 33830 H1 TIP3 7276 89.787 82.087 -4.618 1.00 0.00 WT2 H ATOM 33831 H2 TIP3 7276 89.131 80.939 -5.356 1.00 0.00 WT2 H ATOM 33832 OH2 TIP3 7287 76.904 9.216 -8.654 1.00 0.00 WT2 O ATOM 33833 H1 TIP3 7287 76.609 9.124 -7.748 1.00 0.00 WT2 H ATOM 33834 H2 TIP3 7287 76.991 8.317 -8.971 1.00 0.00 WT2 H ATOM 33835 OH2 TIP3 7291 86.223 26.567 5.031 1.00 0.00 WT2 O ATOM 33836 H1 TIP3 7291 86.265 26.189 5.910 1.00 0.00 WT2 H ATOM 33837 H2 TIP3 7291 86.602 25.896 4.463 1.00 0.00 WT2 H ATOM 33838 OH2 TIP3 7293 53.346 29.779 -15.614 1.00 0.00 WT2 O ATOM 33839 H1 TIP3 7293 53.459 30.725 -15.519 1.00 0.00 WT2 H ATOM 33840 H2 TIP3 7293 52.563 29.578 -15.101 1.00 0.00 WT2 H ATOM 33841 OH2 TIP3 7294 44.028 28.236 -18.665 1.00 0.00 WT2 O ATOM 33842 H1 TIP3 7294 43.429 28.754 -19.202 1.00 0.00 WT2 H ATOM 33843 H2 TIP3 7294 44.420 28.869 -18.064 1.00 0.00 WT2 H ATOM 33844 OH2 TIP3 7297 34.097 5.874 -11.910 1.00 0.00 WT2 O ATOM 33845 H1 TIP3 7297 33.959 5.313 -11.147 1.00 0.00 WT2 H ATOM 33846 H2 TIP3 7297 33.567 5.475 -12.601 1.00 0.00 WT2 H ATOM 33847 OH2 TIP3 7307 26.650 27.049 33.971 1.00 0.00 WT2 O ATOM 33848 H1 TIP3 7307 26.533 26.981 33.023 1.00 0.00 WT2 H ATOM 33849 H2 TIP3 7307 25.802 27.350 34.297 1.00 0.00 WT2 H ATOM 33850 OH2 TIP3 7310 70.720 26.026 45.301 1.00 0.00 WT2 O ATOM 33851 H1 TIP3 7310 71.534 25.748 45.721 1.00 0.00 WT2 H ATOM 33852 H2 TIP3 7310 70.975 26.253 44.408 1.00 0.00 WT2 H ATOM 33853 OH2 TIP3 7311 82.306 13.076 46.737 1.00 0.00 WT2 O ATOM 33854 H1 TIP3 7311 82.005 13.170 47.641 1.00 0.00 WT2 H ATOM 33855 H2 TIP3 7311 81.821 13.743 46.251 1.00 0.00 WT2 H ATOM 33856 OH2 TIP3 7312 43.480 40.537 49.709 1.00 0.00 WT2 O ATOM 33857 H1 TIP3 7312 43.886 41.042 50.413 1.00 0.00 WT2 H ATOM 33858 H2 TIP3 7312 42.542 40.702 49.804 1.00 0.00 WT2 H ATOM 33859 OH2 TIP3 7313 88.197 95.844 43.674 1.00 0.00 WT2 O ATOM 33860 H1 TIP3 7313 87.381 96.180 43.303 1.00 0.00 WT2 H ATOM 33861 H2 TIP3 7313 88.826 95.893 42.954 1.00 0.00 WT2 H ATOM 33862 OH2 TIP3 7314 30.769 12.790 -0.431 1.00 0.00 WT2 O ATOM 33863 H1 TIP3 7314 31.031 13.268 -1.217 1.00 0.00 WT2 H ATOM 33864 H2 TIP3 7314 31.575 12.376 -0.121 1.00 0.00 WT2 H ATOM 33865 OH2 TIP3 7315 77.813 61.535 27.830 1.00 0.00 WT2 O ATOM 33866 H1 TIP3 7315 77.908 62.298 28.400 1.00 0.00 WT2 H ATOM 33867 H2 TIP3 7315 77.835 61.894 26.943 1.00 0.00 WT2 H ATOM 33868 OH2 TIP3 7328 80.294 12.899 -0.389 1.00 0.00 WT2 O ATOM 33869 H1 TIP3 7328 79.604 12.871 -1.052 1.00 0.00 WT2 H ATOM 33870 H2 TIP3 7328 80.061 13.641 0.168 1.00 0.00 WT2 H ATOM 33871 OH2 TIP3 7331 51.991 48.516 66.852 1.00 0.00 WT2 O ATOM 33872 H1 TIP3 7331 51.194 49.022 67.015 1.00 0.00 WT2 H ATOM 33873 H2 TIP3 7331 51.933 47.776 67.457 1.00 0.00 WT2 H ATOM 33874 OH2 TIP3 7333 20.645 31.010 -10.914 1.00 0.00 WT2 O ATOM 33875 H1 TIP3 7333 20.789 31.494 -11.727 1.00 0.00 WT2 H ATOM 33876 H2 TIP3 7333 20.066 30.289 -11.162 1.00 0.00 WT2 H ATOM 33877 OH2 TIP3 7334 83.211 60.366 25.434 1.00 0.00 WT2 O ATOM 33878 H1 TIP3 7334 83.838 59.652 25.323 1.00 0.00 WT2 H ATOM 33879 H2 TIP3 7334 83.602 61.104 24.966 1.00 0.00 WT2 H ATOM 33880 OH2 TIP3 7335 46.486 33.240 63.367 1.00 0.00 WT2 O ATOM 33881 H1 TIP3 7335 47.006 33.143 64.165 1.00 0.00 WT2 H ATOM 33882 H2 TIP3 7335 46.956 32.725 62.711 1.00 0.00 WT2 H ATOM 33883 OH2 TIP3 7336 29.735 26.259 -8.704 1.00 0.00 WT2 O ATOM 33884 H1 TIP3 7336 29.326 26.520 -7.879 1.00 0.00 WT2 H ATOM 33885 H2 TIP3 7336 29.834 27.077 -9.192 1.00 0.00 WT2 H ATOM 33886 OH2 TIP3 7339 67.458 40.822 51.789 1.00 0.00 WT2 O ATOM 33887 H1 TIP3 7339 66.799 40.346 51.283 1.00 0.00 WT2 H ATOM 33888 H2 TIP3 7339 67.579 40.296 52.580 1.00 0.00 WT2 H ATOM 33889 OH2 TIP3 7351 71.189 26.891 62.975 1.00 0.00 WT2 O ATOM 33890 H1 TIP3 7351 71.692 26.911 62.161 1.00 0.00 WT2 H ATOM 33891 H2 TIP3 7351 71.530 27.626 63.485 1.00 0.00 WT2 H ATOM 33892 OH2 TIP3 7352 77.256 77.507 -0.405 1.00 0.00 WT2 O ATOM 33893 H1 TIP3 7352 76.598 78.166 -0.628 1.00 0.00 WT2 H ATOM 33894 H2 TIP3 7352 77.892 77.977 0.135 1.00 0.00 WT2 H ATOM 33895 OH2 TIP3 7353 38.483 96.014 58.059 1.00 0.00 WT2 O ATOM 33896 H1 TIP3 7353 38.845 96.455 57.291 1.00 0.00 WT2 H ATOM 33897 H2 TIP3 7353 37.785 96.595 58.362 1.00 0.00 WT2 H ATOM 33898 OH2 TIP3 7354 30.976 15.694 54.165 1.00 0.00 WT2 O ATOM 33899 H1 TIP3 7354 30.704 15.683 53.247 1.00 0.00 WT2 H ATOM 33900 H2 TIP3 7354 31.564 16.446 54.232 1.00 0.00 WT2 H ATOM 33901 OH2 TIP3 7355 88.309 9.152 49.232 1.00 0.00 WT2 O ATOM 33902 H1 TIP3 7355 89.013 8.892 48.638 1.00 0.00 WT2 H ATOM 33903 H2 TIP3 7355 88.436 10.092 49.359 1.00 0.00 WT2 H ATOM 33904 OH2 TIP3 7356 47.867 44.073 -11.627 1.00 0.00 WT2 O ATOM 33905 H1 TIP3 7356 47.919 45.011 -11.810 1.00 0.00 WT2 H ATOM 33906 H2 TIP3 7356 48.752 43.748 -11.792 1.00 0.00 WT2 H ATOM 33907 OH2 TIP3 7357 43.269 33.954 59.480 1.00 0.00 WT2 O ATOM 33908 H1 TIP3 7357 43.773 33.819 60.283 1.00 0.00 WT2 H ATOM 33909 H2 TIP3 7357 43.147 34.902 59.430 1.00 0.00 WT2 H ATOM 33910 OH2 TIP3 7359 43.485 61.162 -19.318 1.00 0.00 WT2 O ATOM 33911 H1 TIP3 7359 43.678 61.934 -19.849 1.00 0.00 WT2 H ATOM 33912 H2 TIP3 7359 43.559 61.467 -18.414 1.00 0.00 WT2 H ATOM 33913 OH2 TIP3 7370 23.844 41.127 -15.152 1.00 0.00 WT2 O ATOM 33914 H1 TIP3 7370 23.637 40.211 -14.966 1.00 0.00 WT2 H ATOM 33915 H2 TIP3 7370 24.575 41.331 -14.569 1.00 0.00 WT2 H ATOM 33916 OH2 TIP3 7371 87.999 22.526 -5.213 1.00 0.00 WT2 O ATOM 33917 H1 TIP3 7371 88.259 21.704 -5.628 1.00 0.00 WT2 H ATOM 33918 H2 TIP3 7371 88.557 23.188 -5.622 1.00 0.00 WT2 H ATOM 33919 OH2 TIP3 7374 24.075 61.627 64.286 1.00 0.00 WT2 O ATOM 33920 H1 TIP3 7374 23.486 61.174 64.890 1.00 0.00 WT2 H ATOM 33921 H2 TIP3 7374 23.492 62.103 63.694 1.00 0.00 WT2 H ATOM 33922 OH2 TIP3 7376 56.826 48.223 -2.807 1.00 0.00 WT2 O ATOM 33923 H1 TIP3 7376 56.708 49.144 -3.039 1.00 0.00 WT2 H ATOM 33924 H2 TIP3 7376 56.453 48.147 -1.929 1.00 0.00 WT2 H ATOM 33925 OH2 TIP3 7378 57.075 10.533 52.827 1.00 0.00 WT2 O ATOM 33926 H1 TIP3 7378 56.533 11.193 52.395 1.00 0.00 WT2 H ATOM 33927 H2 TIP3 7378 57.845 11.015 53.129 1.00 0.00 WT2 H ATOM 33928 OH2 TIP3 7379 54.101 25.148 49.256 1.00 0.00 WT2 O ATOM 33929 H1 TIP3 7379 54.156 24.869 48.342 1.00 0.00 WT2 H ATOM 33930 H2 TIP3 7379 54.514 24.439 49.749 1.00 0.00 WT2 H ATOM 33931 OH2 TIP3 7380 64.980 91.705 4.716 1.00 0.00 WT2 O ATOM 33932 H1 TIP3 7380 65.104 91.122 3.967 1.00 0.00 WT2 H ATOM 33933 H2 TIP3 7380 65.707 92.326 4.660 1.00 0.00 WT2 H ATOM 33934 OH2 TIP3 7382 20.836 76.450 66.850 1.00 0.00 WT2 O ATOM 33935 H1 TIP3 7382 19.956 76.766 66.643 1.00 0.00 WT2 H ATOM 33936 H2 TIP3 7382 21.072 76.909 67.657 1.00 0.00 WT2 H ATOM 33937 OH2 TIP3 7393 21.329 23.930 49.472 1.00 0.00 WT2 O ATOM 33938 H1 TIP3 7393 20.835 23.320 48.924 1.00 0.00 WT2 H ATOM 33939 H2 TIP3 7393 21.734 23.377 50.140 1.00 0.00 WT2 H ATOM 33940 OH2 TIP3 7394 25.345 64.653 -15.325 1.00 0.00 WT2 O ATOM 33941 H1 TIP3 7394 26.286 64.585 -15.489 1.00 0.00 WT2 H ATOM 33942 H2 TIP3 7394 24.938 64.367 -16.143 1.00 0.00 WT2 H ATOM 33943 OH2 TIP3 7395 43.243 35.990 2.737 1.00 0.00 WT2 O ATOM 33944 H1 TIP3 7395 42.726 35.867 3.533 1.00 0.00 WT2 H ATOM 33945 H2 TIP3 7395 44.016 36.476 3.027 1.00 0.00 WT2 H ATOM 33946 OH2 TIP3 7396 79.639 62.168 24.168 1.00 0.00 WT2 O ATOM 33947 H1 TIP3 7396 79.368 62.761 24.869 1.00 0.00 WT2 H ATOM 33948 H2 TIP3 7396 78.897 61.574 24.056 1.00 0.00 WT2 H ATOM 33949 OH2 TIP3 7397 40.017 38.016 53.380 1.00 0.00 WT2 O ATOM 33950 H1 TIP3 7397 40.699 37.805 52.743 1.00 0.00 WT2 H ATOM 33951 H2 TIP3 7397 40.318 38.823 53.797 1.00 0.00 WT2 H ATOM 33952 OH2 TIP3 7398 30.972 85.727 65.225 1.00 0.00 WT2 O ATOM 33953 H1 TIP3 7398 30.691 85.590 66.129 1.00 0.00 WT2 H ATOM 33954 H2 TIP3 7398 31.911 85.540 65.234 1.00 0.00 WT2 H ATOM 33955 OH2 TIP3 7399 61.495 65.169 53.153 1.00 0.00 WT2 O ATOM 33956 H1 TIP3 7399 60.785 65.629 52.705 1.00 0.00 WT2 H ATOM 33957 H2 TIP3 7399 61.683 64.415 52.594 1.00 0.00 WT2 H ATOM 33958 OH2 TIP3 7400 69.597 59.812 12.089 1.00 0.00 WT2 O ATOM 33959 H1 TIP3 7400 69.679 58.925 11.740 1.00 0.00 WT2 H ATOM 33960 H2 TIP3 7400 68.948 59.736 12.789 1.00 0.00 WT2 H ATOM 33961 OH2 TIP3 7415 20.352 80.874 -15.621 1.00 0.00 WT2 O ATOM 33962 H1 TIP3 7415 20.399 80.097 -15.064 1.00 0.00 WT2 H ATOM 33963 H2 TIP3 7415 20.491 81.607 -15.022 1.00 0.00 WT2 H ATOM 33964 OH2 TIP3 7416 79.240 13.896 62.311 1.00 0.00 WT2 O ATOM 33965 H1 TIP3 7416 78.694 13.447 61.665 1.00 0.00 WT2 H ATOM 33966 H2 TIP3 7416 79.770 13.201 62.702 1.00 0.00 WT2 H ATOM 33967 OH2 TIP3 7418 25.227 15.485 -14.029 1.00 0.00 WT2 O ATOM 33968 H1 TIP3 7418 25.095 16.324 -13.588 1.00 0.00 WT2 H ATOM 33969 H2 TIP3 7418 25.082 15.676 -14.956 1.00 0.00 WT2 H ATOM 33970 OH2 TIP3 7419 38.590 37.490 50.349 1.00 0.00 WT2 O ATOM 33971 H1 TIP3 7419 39.159 38.160 49.970 1.00 0.00 WT2 H ATOM 33972 H2 TIP3 7419 38.717 36.723 49.790 1.00 0.00 WT2 H ATOM 33973 OH2 TIP3 7420 65.866 32.153 47.313 1.00 0.00 WT2 O ATOM 33974 H1 TIP3 7420 66.420 31.708 46.672 1.00 0.00 WT2 H ATOM 33975 H2 TIP3 7420 65.850 33.066 47.025 1.00 0.00 WT2 H ATOM 33976 OH2 TIP3 7421 38.230 17.707 59.537 1.00 0.00 WT2 O ATOM 33977 H1 TIP3 7421 38.344 17.913 60.465 1.00 0.00 WT2 H ATOM 33978 H2 TIP3 7421 37.301 17.493 59.451 1.00 0.00 WT2 H ATOM 33979 OH2 TIP3 7422 31.735 17.623 58.026 1.00 0.00 WT2 O ATOM 33980 H1 TIP3 7422 31.277 17.231 58.770 1.00 0.00 WT2 H ATOM 33981 H2 TIP3 7422 31.149 18.315 57.722 1.00 0.00 WT2 H ATOM 33982 OH2 TIP3 7434 28.301 63.334 -7.602 1.00 0.00 WT2 O ATOM 33983 H1 TIP3 7434 27.700 63.618 -6.912 1.00 0.00 WT2 H ATOM 33984 H2 TIP3 7434 27.743 62.882 -8.234 1.00 0.00 WT2 H ATOM 33985 OH2 TIP3 7435 39.916 91.758 -7.338 1.00 0.00 WT2 O ATOM 33986 H1 TIP3 7435 39.880 92.660 -7.656 1.00 0.00 WT2 H ATOM 33987 H2 TIP3 7435 39.350 91.270 -7.937 1.00 0.00 WT2 H ATOM 33988 OH2 TIP3 7437 90.837 16.531 1.588 1.00 0.00 WT2 O ATOM 33989 H1 TIP3 7437 90.991 17.057 0.804 1.00 0.00 WT2 H ATOM 33990 H2 TIP3 7437 89.947 16.195 1.481 1.00 0.00 WT2 H ATOM 33991 OH2 TIP3 7438 48.419 22.632 32.925 1.00 0.00 WT2 O ATOM 33992 H1 TIP3 7438 48.518 23.509 32.556 1.00 0.00 WT2 H ATOM 33993 H2 TIP3 7438 48.016 22.120 32.224 1.00 0.00 WT2 H ATOM 33994 OH2 TIP3 7439 86.747 95.055 -13.233 1.00 0.00 WT2 O ATOM 33995 H1 TIP3 7439 87.598 94.626 -13.324 1.00 0.00 WT2 H ATOM 33996 H2 TIP3 7439 86.902 95.958 -13.511 1.00 0.00 WT2 H ATOM 33997 OH2 TIP3 7440 45.089 6.902 16.747 1.00 0.00 WT2 O ATOM 33998 H1 TIP3 7440 44.519 7.672 16.742 1.00 0.00 WT2 H ATOM 33999 H2 TIP3 7440 44.535 6.192 16.424 1.00 0.00 WT2 H ATOM 34000 OH2 TIP3 7441 36.960 27.612 34.244 1.00 0.00 WT2 O ATOM 34001 H1 TIP3 7441 37.745 28.158 34.216 1.00 0.00 WT2 H ATOM 34002 H2 TIP3 7441 37.291 26.720 34.350 1.00 0.00 WT2 H ATOM 34003 OH2 TIP3 7443 64.429 75.277 53.600 1.00 0.00 WT2 O ATOM 34004 H1 TIP3 7443 64.066 76.002 54.108 1.00 0.00 WT2 H ATOM 34005 H2 TIP3 7443 65.306 75.572 53.355 1.00 0.00 WT2 H ATOM 34006 OH2 TIP3 7454 86.520 61.388 45.111 1.00 0.00 WT2 O ATOM 34007 H1 TIP3 7454 86.729 61.420 46.044 1.00 0.00 WT2 H ATOM 34008 H2 TIP3 7454 86.699 60.483 44.856 1.00 0.00 WT2 H ATOM 34009 OH2 TIP3 7455 81.932 11.302 56.701 1.00 0.00 WT2 O ATOM 34010 H1 TIP3 7455 82.226 11.990 56.103 1.00 0.00 WT2 H ATOM 34011 H2 TIP3 7455 82.280 11.561 57.554 1.00 0.00 WT2 H ATOM 34012 OH2 TIP3 7457 83.992 59.093 20.080 1.00 0.00 WT2 O ATOM 34013 H1 TIP3 7457 83.266 58.604 19.692 1.00 0.00 WT2 H ATOM 34014 H2 TIP3 7457 84.389 59.557 19.343 1.00 0.00 WT2 H ATOM 34015 OH2 TIP3 7461 67.695 24.722 -4.060 1.00 0.00 WT2 O ATOM 34016 H1 TIP3 7461 68.292 24.150 -3.578 1.00 0.00 WT2 H ATOM 34017 H2 TIP3 7461 66.885 24.707 -3.549 1.00 0.00 WT2 H ATOM 34018 OH2 TIP3 7463 90.457 21.959 48.278 1.00 0.00 WT2 O ATOM 34019 H1 TIP3 7463 90.357 21.399 49.049 1.00 0.00 WT2 H ATOM 34020 H2 TIP3 7463 90.397 21.357 47.536 1.00 0.00 WT2 H ATOM 34021 OH2 TIP3 7475 28.062 66.712 33.789 1.00 0.00 WT2 O ATOM 34022 H1 TIP3 7475 28.959 66.524 33.514 1.00 0.00 WT2 H ATOM 34023 H2 TIP3 7475 28.097 67.607 34.127 1.00 0.00 WT2 H ATOM 34024 OH2 TIP3 7477 59.034 17.140 49.923 1.00 0.00 WT2 O ATOM 34025 H1 TIP3 7477 59.858 16.684 50.095 1.00 0.00 WT2 H ATOM 34026 H2 TIP3 7477 59.003 17.230 48.971 1.00 0.00 WT2 H ATOM 34027 OH2 TIP3 7479 27.127 54.683 32.868 1.00 0.00 WT2 O ATOM 34028 H1 TIP3 7479 26.250 54.771 32.495 1.00 0.00 WT2 H ATOM 34029 H2 TIP3 7479 27.156 53.788 33.205 1.00 0.00 WT2 H ATOM 34030 OH2 TIP3 7480 56.823 16.966 35.312 1.00 0.00 WT2 O ATOM 34031 H1 TIP3 7480 57.408 17.471 35.876 1.00 0.00 WT2 H ATOM 34032 H2 TIP3 7480 56.519 17.594 34.657 1.00 0.00 WT2 H ATOM 34033 OH2 TIP3 7481 89.387 63.975 -13.896 1.00 0.00 WT2 O ATOM 34034 H1 TIP3 7481 90.211 64.461 -13.939 1.00 0.00 WT2 H ATOM 34035 H2 TIP3 7481 89.065 63.968 -14.797 1.00 0.00 WT2 H ATOM 34036 OH2 TIP3 7489 28.383 76.310 -0.649 1.00 0.00 WT2 O ATOM 34037 H1 TIP3 7489 28.905 75.940 -1.361 1.00 0.00 WT2 H ATOM 34038 H2 TIP3 7489 28.505 75.701 0.080 1.00 0.00 WT2 H ATOM 34039 OH2 TIP3 7493 84.463 9.957 59.244 1.00 0.00 WT2 O ATOM 34040 H1 TIP3 7493 85.222 10.480 58.986 1.00 0.00 WT2 H ATOM 34041 H2 TIP3 7493 84.699 9.597 60.100 1.00 0.00 WT2 H ATOM 34042 OH2 TIP3 7496 89.425 79.298 -10.118 1.00 0.00 WT2 O ATOM 34043 H1 TIP3 7496 90.268 79.217 -9.672 1.00 0.00 WT2 H ATOM 34044 H2 TIP3 7496 89.242 80.237 -10.117 1.00 0.00 WT2 H ATOM 34045 OH2 TIP3 7498 63.505 23.249 35.207 1.00 0.00 WT2 O ATOM 34046 H1 TIP3 7498 64.010 24.059 35.281 1.00 0.00 WT2 H ATOM 34047 H2 TIP3 7498 62.851 23.310 35.904 1.00 0.00 WT2 H ATOM 34048 OH2 TIP3 7499 65.404 85.782 56.040 1.00 0.00 WT2 O ATOM 34049 H1 TIP3 7499 66.296 85.563 55.773 1.00 0.00 WT2 H ATOM 34050 H2 TIP3 7499 65.296 86.700 55.791 1.00 0.00 WT2 H ATOM 34051 OH2 TIP3 7500 79.953 86.519 61.602 1.00 0.00 WT2 O ATOM 34052 H1 TIP3 7500 79.706 85.812 62.197 1.00 0.00 WT2 H ATOM 34053 H2 TIP3 7500 80.439 87.135 62.150 1.00 0.00 WT2 H ATOM 34054 OH2 TIP3 7501 89.754 88.226 54.819 1.00 0.00 WT2 O ATOM 34055 H1 TIP3 7501 90.051 88.548 55.671 1.00 0.00 WT2 H ATOM 34056 H2 TIP3 7501 90.543 87.871 54.409 1.00 0.00 WT2 H ATOM 34057 OH2 TIP3 7502 22.993 66.581 -2.522 1.00 0.00 WT2 O ATOM 34058 H1 TIP3 7502 22.268 66.859 -3.081 1.00 0.00 WT2 H ATOM 34059 H2 TIP3 7502 23.208 65.699 -2.829 1.00 0.00 WT2 H ATOM 34060 OH2 TIP3 7503 35.883 20.523 -17.705 1.00 0.00 WT2 O ATOM 34061 H1 TIP3 7503 35.615 21.021 -16.933 1.00 0.00 WT2 H ATOM 34062 H2 TIP3 7503 36.807 20.322 -17.553 1.00 0.00 WT2 H ATOM 34063 OH2 TIP3 7504 85.281 24.832 -4.444 1.00 0.00 WT2 O ATOM 34064 H1 TIP3 7504 85.401 24.728 -3.500 1.00 0.00 WT2 H ATOM 34065 H2 TIP3 7504 84.571 25.468 -4.527 1.00 0.00 WT2 H ATOM 34066 OH2 TIP3 7510 53.829 36.971 7.664 1.00 0.00 WT2 O ATOM 34067 H1 TIP3 7510 53.543 37.637 8.289 1.00 0.00 WT2 H ATOM 34068 H2 TIP3 7510 53.991 36.194 8.199 1.00 0.00 WT2 H ATOM 34069 OH2 TIP3 7515 88.458 6.443 -3.257 1.00 0.00 WT2 O ATOM 34070 H1 TIP3 7515 87.945 5.908 -3.863 1.00 0.00 WT2 H ATOM 34071 H2 TIP3 7515 87.848 7.116 -2.956 1.00 0.00 WT2 H ATOM 34072 OH2 TIP3 7518 87.069 3.453 11.209 1.00 0.00 WT2 O ATOM 34073 H1 TIP3 7518 87.644 4.048 10.728 1.00 0.00 WT2 H ATOM 34074 H2 TIP3 7518 87.648 3.008 11.828 1.00 0.00 WT2 H ATOM 34075 OH2 TIP3 7519 26.352 31.282 44.445 1.00 0.00 WT2 O ATOM 34076 H1 TIP3 7519 26.175 30.772 43.655 1.00 0.00 WT2 H ATOM 34077 H2 TIP3 7519 27.215 30.986 44.735 1.00 0.00 WT2 H ATOM 34078 OH2 TIP3 7521 77.816 48.732 45.494 1.00 0.00 WT2 O ATOM 34079 H1 TIP3 7521 77.746 48.746 44.539 1.00 0.00 WT2 H ATOM 34080 H2 TIP3 7521 77.017 49.163 45.799 1.00 0.00 WT2 H ATOM 34081 OH2 TIP3 7522 36.605 83.322 -15.955 1.00 0.00 WT2 O ATOM 34082 H1 TIP3 7522 36.966 83.109 -15.094 1.00 0.00 WT2 H ATOM 34083 H2 TIP3 7522 37.264 83.009 -16.575 1.00 0.00 WT2 H ATOM 34084 OH2 TIP3 7523 71.190 7.807 59.103 1.00 0.00 WT2 O ATOM 34085 H1 TIP3 7523 70.293 8.122 59.214 1.00 0.00 WT2 H ATOM 34086 H2 TIP3 7523 71.722 8.415 59.617 1.00 0.00 WT2 H ATOM 34087 OH2 TIP3 7525 72.316 55.346 -16.247 1.00 0.00 WT2 O ATOM 34088 H1 TIP3 7525 72.694 55.904 -16.927 1.00 0.00 WT2 H ATOM 34089 H2 TIP3 7525 73.031 55.205 -15.627 1.00 0.00 WT2 H ATOM 34090 OH2 TIP3 7526 59.783 15.981 65.312 1.00 0.00 WT2 O ATOM 34091 H1 TIP3 7526 59.381 16.377 64.539 1.00 0.00 WT2 H ATOM 34092 H2 TIP3 7526 59.427 15.093 65.339 1.00 0.00 WT2 H ATOM 34093 OH2 TIP3 7541 62.064 79.042 -13.016 1.00 0.00 WT2 O ATOM 34094 H1 TIP3 7541 62.879 79.244 -12.556 1.00 0.00 WT2 H ATOM 34095 H2 TIP3 7541 62.339 78.535 -13.780 1.00 0.00 WT2 H ATOM 34096 OH2 TIP3 7543 86.996 68.683 40.891 1.00 0.00 WT2 O ATOM 34097 H1 TIP3 7543 86.612 68.971 40.063 1.00 0.00 WT2 H ATOM 34098 H2 TIP3 7543 87.864 68.357 40.652 1.00 0.00 WT2 H ATOM 34099 OH2 TIP3 7544 57.293 54.010 0.622 1.00 0.00 WT2 O ATOM 34100 H1 TIP3 7544 57.367 54.963 0.674 1.00 0.00 WT2 H ATOM 34101 H2 TIP3 7544 56.700 53.777 1.336 1.00 0.00 WT2 H ATOM 34102 OH2 TIP3 7545 72.121 41.804 20.601 1.00 0.00 WT2 O ATOM 34103 H1 TIP3 7545 71.326 41.937 21.117 1.00 0.00 WT2 H ATOM 34104 H2 TIP3 7545 72.213 42.608 20.089 1.00 0.00 WT2 H ATOM 34105 OH2 TIP3 7549 63.470 89.098 0.864 1.00 0.00 WT2 O ATOM 34106 H1 TIP3 7549 63.674 89.473 0.007 1.00 0.00 WT2 H ATOM 34107 H2 TIP3 7549 64.187 88.488 1.036 1.00 0.00 WT2 H ATOM 34108 OH2 TIP3 7559 70.437 87.995 -0.833 1.00 0.00 WT2 O ATOM 34109 H1 TIP3 7559 70.583 88.925 -1.003 1.00 0.00 WT2 H ATOM 34110 H2 TIP3 7559 69.854 87.710 -1.536 1.00 0.00 WT2 H ATOM 34111 OH2 TIP3 7561 56.247 4.210 53.045 1.00 0.00 WT2 O ATOM 34112 H1 TIP3 7561 56.177 3.587 53.768 1.00 0.00 WT2 H ATOM 34113 H2 TIP3 7561 55.483 4.030 52.498 1.00 0.00 WT2 H ATOM 34114 OH2 TIP3 7563 81.834 5.760 53.438 1.00 0.00 WT2 O ATOM 34115 H1 TIP3 7563 82.500 6.288 52.998 1.00 0.00 WT2 H ATOM 34116 H2 TIP3 7563 82.146 5.682 54.339 1.00 0.00 WT2 H ATOM 34117 OH2 TIP3 7564 85.326 93.856 46.739 1.00 0.00 WT2 O ATOM 34118 H1 TIP3 7564 84.817 93.574 47.499 1.00 0.00 WT2 H ATOM 34119 H2 TIP3 7564 85.698 94.699 46.998 1.00 0.00 WT2 H ATOM 34120 OH2 TIP3 7565 46.598 83.763 49.481 1.00 0.00 WT2 O ATOM 34121 H1 TIP3 7565 46.001 83.362 48.850 1.00 0.00 WT2 H ATOM 34122 H2 TIP3 7565 47.440 83.797 49.027 1.00 0.00 WT2 H ATOM 34123 OH2 TIP3 7566 35.310 67.636 37.213 1.00 0.00 WT2 O ATOM 34124 H1 TIP3 7566 35.676 67.990 38.024 1.00 0.00 WT2 H ATOM 34125 H2 TIP3 7566 35.378 66.686 37.313 1.00 0.00 WT2 H ATOM 34126 OH2 TIP3 7567 41.587 7.864 -19.045 1.00 0.00 WT2 O ATOM 34127 H1 TIP3 7567 41.253 8.409 -19.758 1.00 0.00 WT2 H ATOM 34128 H2 TIP3 7567 41.879 7.060 -19.475 1.00 0.00 WT2 H ATOM 34129 OH2 TIP3 7582 44.998 25.277 64.164 1.00 0.00 WT2 O ATOM 34130 H1 TIP3 7582 45.590 25.429 64.901 1.00 0.00 WT2 H ATOM 34131 H2 TIP3 7582 45.283 25.899 63.495 1.00 0.00 WT2 H ATOM 34132 OH2 TIP3 7584 46.332 37.821 31.092 1.00 0.00 WT2 O ATOM 34133 H1 TIP3 7584 46.722 37.678 30.230 1.00 0.00 WT2 H ATOM 34134 H2 TIP3 7584 47.012 37.553 31.710 1.00 0.00 WT2 H ATOM 34135 OH2 TIP3 7586 71.362 84.608 -0.609 1.00 0.00 WT2 O ATOM 34136 H1 TIP3 7586 71.052 84.669 -1.513 1.00 0.00 WT2 H ATOM 34137 H2 TIP3 7586 72.316 84.626 -0.681 1.00 0.00 WT2 H ATOM 34138 OH2 TIP3 7587 66.190 52.388 -9.606 1.00 0.00 WT2 O ATOM 34139 H1 TIP3 7587 65.623 52.273 -8.843 1.00 0.00 WT2 H ATOM 34140 H2 TIP3 7587 67.015 52.710 -9.244 1.00 0.00 WT2 H ATOM 34141 OH2 TIP3 7594 29.672 35.699 3.764 1.00 0.00 WT2 O ATOM 34142 H1 TIP3 7594 30.334 35.543 3.091 1.00 0.00 WT2 H ATOM 34143 H2 TIP3 7594 29.605 36.652 3.819 1.00 0.00 WT2 H ATOM 34144 OH2 TIP3 7602 72.529 53.037 -2.542 1.00 0.00 WT2 O ATOM 34145 H1 TIP3 7602 71.732 53.306 -2.999 1.00 0.00 WT2 H ATOM 34146 H2 TIP3 7602 72.294 53.060 -1.615 1.00 0.00 WT2 H ATOM 34147 OH2 TIP3 7603 68.888 25.802 47.102 1.00 0.00 WT2 O ATOM 34148 H1 TIP3 7603 69.506 25.891 46.377 1.00 0.00 WT2 H ATOM 34149 H2 TIP3 7603 68.999 24.900 47.403 1.00 0.00 WT2 H ATOM 34150 OH2 TIP3 7605 88.367 16.137 61.132 1.00 0.00 WT2 O ATOM 34151 H1 TIP3 7605 89.018 15.487 60.866 1.00 0.00 WT2 H ATOM 34152 H2 TIP3 7605 88.698 16.965 60.783 1.00 0.00 WT2 H ATOM 34153 OH2 TIP3 7608 53.319 83.242 64.341 1.00 0.00 WT2 O ATOM 34154 H1 TIP3 7608 53.093 83.513 65.231 1.00 0.00 WT2 H ATOM 34155 H2 TIP3 7608 53.599 82.331 64.431 1.00 0.00 WT2 H ATOM 34156 OH2 TIP3 7612 74.963 73.441 43.782 1.00 0.00 WT2 O ATOM 34157 H1 TIP3 7612 75.911 73.558 43.847 1.00 0.00 WT2 H ATOM 34158 H2 TIP3 7612 74.854 72.575 43.390 1.00 0.00 WT2 H ATOM 34159 OH2 TIP3 7625 74.768 30.914 -1.589 1.00 0.00 WT2 O ATOM 34160 H1 TIP3 7625 74.193 31.209 -2.296 1.00 0.00 WT2 H ATOM 34161 H2 TIP3 7625 74.188 30.815 -0.834 1.00 0.00 WT2 H ATOM 34162 OH2 TIP3 7626 29.096 5.300 -8.257 1.00 0.00 WT2 O ATOM 34163 H1 TIP3 7626 28.240 5.074 -7.895 1.00 0.00 WT2 H ATOM 34164 H2 TIP3 7626 28.922 5.505 -9.176 1.00 0.00 WT2 H ATOM 34165 OH2 TIP3 7628 45.202 20.466 49.875 1.00 0.00 WT2 O ATOM 34166 H1 TIP3 7628 45.897 21.028 49.531 1.00 0.00 WT2 H ATOM 34167 H2 TIP3 7628 44.956 19.909 49.136 1.00 0.00 WT2 H ATOM 34168 OH2 TIP3 7630 36.970 93.123 14.975 1.00 0.00 WT2 O ATOM 34169 H1 TIP3 7630 37.713 93.520 15.430 1.00 0.00 WT2 H ATOM 34170 H2 TIP3 7630 37.195 93.187 14.047 1.00 0.00 WT2 H ATOM 34171 OH2 TIP3 7631 31.692 33.426 -15.363 1.00 0.00 WT2 O ATOM 34172 H1 TIP3 7631 31.274 32.671 -15.777 1.00 0.00 WT2 H ATOM 34173 H2 TIP3 7631 31.195 33.563 -14.556 1.00 0.00 WT2 H ATOM 34174 OH2 TIP3 7643 70.378 85.147 -12.551 1.00 0.00 WT2 O ATOM 34175 H1 TIP3 7643 70.130 85.579 -13.369 1.00 0.00 WT2 H ATOM 34176 H2 TIP3 7643 70.658 84.271 -12.817 1.00 0.00 WT2 H ATOM 34177 OH2 TIP3 7644 27.347 72.008 13.594 1.00 0.00 WT2 O ATOM 34178 H1 TIP3 7644 27.301 71.134 13.979 1.00 0.00 WT2 H ATOM 34179 H2 TIP3 7644 28.272 72.248 13.652 1.00 0.00 WT2 H ATOM 34180 OH2 TIP3 7645 76.900 22.905 61.035 1.00 0.00 WT2 O ATOM 34181 H1 TIP3 7645 77.483 23.638 61.233 1.00 0.00 WT2 H ATOM 34182 H2 TIP3 7645 76.105 23.089 61.535 1.00 0.00 WT2 H ATOM 34183 OH2 TIP3 7646 38.236 31.695 43.827 1.00 0.00 WT2 O ATOM 34184 H1 TIP3 7646 38.651 31.988 43.016 1.00 0.00 WT2 H ATOM 34185 H2 TIP3 7646 38.877 31.890 44.510 1.00 0.00 WT2 H ATOM 34186 OH2 TIP3 7647 37.519 30.281 48.533 1.00 0.00 WT2 O ATOM 34187 H1 TIP3 7647 36.678 29.862 48.714 1.00 0.00 WT2 H ATOM 34188 H2 TIP3 7647 37.870 29.801 47.783 1.00 0.00 WT2 H ATOM 34189 OH2 TIP3 7648 73.961 61.886 19.610 1.00 0.00 WT2 O ATOM 34190 H1 TIP3 7648 73.183 62.064 20.139 1.00 0.00 WT2 H ATOM 34191 H2 TIP3 7648 74.190 62.733 19.228 1.00 0.00 WT2 H ATOM 34192 OH2 TIP3 7649 44.327 3.385 67.239 1.00 0.00 WT2 O ATOM 34193 H1 TIP3 7649 44.197 2.733 67.927 1.00 0.00 WT2 H ATOM 34194 H2 TIP3 7649 44.816 2.923 66.558 1.00 0.00 WT2 H ATOM 34195 OH2 TIP3 7650 37.895 25.053 64.949 1.00 0.00 WT2 O ATOM 34196 H1 TIP3 7650 38.400 25.863 65.023 1.00 0.00 WT2 H ATOM 34197 H2 TIP3 7650 37.851 24.715 65.843 1.00 0.00 WT2 H ATOM 34198 OH2 TIP3 7652 37.795 93.697 24.206 1.00 0.00 WT2 O ATOM 34199 H1 TIP3 7652 38.289 93.741 25.025 1.00 0.00 WT2 H ATOM 34200 H2 TIP3 7652 37.510 94.597 24.049 1.00 0.00 WT2 H ATOM 34201 OH2 TIP3 7653 57.189 35.953 -7.677 1.00 0.00 WT2 O ATOM 34202 H1 TIP3 7653 57.588 36.317 -8.467 1.00 0.00 WT2 H ATOM 34203 H2 TIP3 7653 57.928 35.621 -7.166 1.00 0.00 WT2 H ATOM 34204 OH2 TIP3 7663 78.521 32.039 42.213 1.00 0.00 WT2 O ATOM 34205 H1 TIP3 7663 78.125 32.605 41.550 1.00 0.00 WT2 H ATOM 34206 H2 TIP3 7663 79.214 32.573 42.601 1.00 0.00 WT2 H ATOM 34207 OH2 TIP3 7668 37.472 35.915 18.870 1.00 0.00 WT2 O ATOM 34208 H1 TIP3 7668 37.481 36.405 19.692 1.00 0.00 WT2 H ATOM 34209 H2 TIP3 7668 38.391 35.703 18.706 1.00 0.00 WT2 H ATOM 34210 OH2 TIP3 7669 88.219 69.529 22.797 1.00 0.00 WT2 O ATOM 34211 H1 TIP3 7669 88.225 69.178 21.906 1.00 0.00 WT2 H ATOM 34212 H2 TIP3 7669 87.832 68.832 23.327 1.00 0.00 WT2 H ATOM 34213 OH2 TIP3 7670 64.150 91.254 58.437 1.00 0.00 WT2 O ATOM 34214 H1 TIP3 7670 64.021 91.897 57.740 1.00 0.00 WT2 H ATOM 34215 H2 TIP3 7670 63.519 90.561 58.243 1.00 0.00 WT2 H ATOM 34216 OH2 TIP3 7673 74.903 39.511 56.829 1.00 0.00 WT2 O ATOM 34217 H1 TIP3 7673 74.875 38.795 57.463 1.00 0.00 WT2 H ATOM 34218 H2 TIP3 7673 74.050 39.938 56.912 1.00 0.00 WT2 H ATOM 34219 OH2 TIP3 7686 48.870 53.760 60.102 1.00 0.00 WT2 O ATOM 34220 H1 TIP3 7686 47.985 53.416 60.217 1.00 0.00 WT2 H ATOM 34221 H2 TIP3 7686 48.771 54.473 59.471 1.00 0.00 WT2 H ATOM 34222 OH2 TIP3 7688 74.970 5.929 -11.317 1.00 0.00 WT2 O ATOM 34223 H1 TIP3 7688 75.700 6.162 -10.744 1.00 0.00 WT2 H ATOM 34224 H2 TIP3 7688 74.209 6.355 -10.921 1.00 0.00 WT2 H ATOM 34225 OH2 TIP3 7689 43.417 96.427 -10.780 1.00 0.00 WT2 O ATOM 34226 H1 TIP3 7689 44.256 96.516 -10.330 1.00 0.00 WT2 H ATOM 34227 H2 TIP3 7689 43.477 97.029 -11.522 1.00 0.00 WT2 H ATOM 34228 OH2 TIP3 7690 63.597 38.211 53.974 1.00 0.00 WT2 O ATOM 34229 H1 TIP3 7690 63.362 39.137 54.023 1.00 0.00 WT2 H ATOM 34230 H2 TIP3 7690 64.313 38.111 54.603 1.00 0.00 WT2 H ATOM 34231 OH2 TIP3 7691 29.306 47.309 4.247 1.00 0.00 WT2 O ATOM 34232 H1 TIP3 7691 29.641 46.413 4.204 1.00 0.00 WT2 H ATOM 34233 H2 TIP3 7691 30.087 47.860 4.207 1.00 0.00 WT2 H ATOM 34234 OH2 TIP3 7692 40.917 85.298 46.403 1.00 0.00 WT2 O ATOM 34235 H1 TIP3 7692 40.858 84.343 46.367 1.00 0.00 WT2 H ATOM 34236 H2 TIP3 7692 40.665 85.521 47.299 1.00 0.00 WT2 H ATOM 34237 OH2 TIP3 7694 34.670 40.163 57.136 1.00 0.00 WT2 O ATOM 34238 H1 TIP3 7694 34.336 41.041 56.955 1.00 0.00 WT2 H ATOM 34239 H2 TIP3 7694 33.921 39.586 56.985 1.00 0.00 WT2 H ATOM 34240 OH2 TIP3 7695 33.613 37.192 38.521 1.00 0.00 WT2 O ATOM 34241 H1 TIP3 7695 33.320 37.749 37.800 1.00 0.00 WT2 H ATOM 34242 H2 TIP3 7695 34.389 37.634 38.865 1.00 0.00 WT2 H ATOM 34243 OH2 TIP3 7696 73.934 56.879 43.115 1.00 0.00 WT2 O ATOM 34244 H1 TIP3 7696 73.325 56.815 42.380 1.00 0.00 WT2 H ATOM 34245 H2 TIP3 7696 74.550 57.565 42.857 1.00 0.00 WT2 H ATOM 34246 OH2 TIP3 7698 90.417 31.695 54.443 1.00 0.00 WT2 O ATOM 34247 H1 TIP3 7698 91.003 32.423 54.236 1.00 0.00 WT2 H ATOM 34248 H2 TIP3 7698 90.154 31.349 53.591 1.00 0.00 WT2 H ATOM 34249 OH2 TIP3 7705 82.626 1.623 45.199 1.00 0.00 WT2 O ATOM 34250 H1 TIP3 7705 82.696 2.076 44.359 1.00 0.00 WT2 H ATOM 34251 H2 TIP3 7705 82.089 0.852 45.011 1.00 0.00 WT2 H ATOM 34252 OH2 TIP3 7707 61.927 70.527 53.598 1.00 0.00 WT2 O ATOM 34253 H1 TIP3 7707 62.632 69.879 53.597 1.00 0.00 WT2 H ATOM 34254 H2 TIP3 7707 61.482 70.399 52.760 1.00 0.00 WT2 H ATOM 34255 OH2 TIP3 7708 32.025 59.474 27.011 1.00 0.00 WT2 O ATOM 34256 H1 TIP3 7708 32.012 60.243 27.580 1.00 0.00 WT2 H ATOM 34257 H2 TIP3 7708 31.877 59.823 26.132 1.00 0.00 WT2 H ATOM 34258 OH2 TIP3 7710 88.415 88.605 49.740 1.00 0.00 WT2 O ATOM 34259 H1 TIP3 7710 87.969 87.886 50.187 1.00 0.00 WT2 H ATOM 34260 H2 TIP3 7710 87.723 89.048 49.249 1.00 0.00 WT2 H ATOM 34261 OH2 TIP3 7711 87.427 49.323 51.806 1.00 0.00 WT2 O ATOM 34262 H1 TIP3 7711 87.309 50.272 51.838 1.00 0.00 WT2 H ATOM 34263 H2 TIP3 7711 88.176 49.154 52.378 1.00 0.00 WT2 H ATOM 34264 OH2 TIP3 7712 36.375 34.015 2.637 1.00 0.00 WT2 O ATOM 34265 H1 TIP3 7712 36.382 34.969 2.566 1.00 0.00 WT2 H ATOM 34266 H2 TIP3 7712 35.498 33.804 2.957 1.00 0.00 WT2 H ATOM 34267 OH2 TIP3 7713 74.325 30.131 56.023 1.00 0.00 WT2 O ATOM 34268 H1 TIP3 7713 73.899 29.410 56.488 1.00 0.00 WT2 H ATOM 34269 H2 TIP3 7713 73.762 30.294 55.266 1.00 0.00 WT2 H ATOM 34270 OH2 TIP3 7716 25.751 25.911 -16.043 1.00 0.00 WT2 O ATOM 34271 H1 TIP3 7716 26.024 26.828 -16.082 1.00 0.00 WT2 H ATOM 34272 H2 TIP3 7716 26.115 25.588 -15.219 1.00 0.00 WT2 H ATOM 34273 OH2 TIP3 7718 90.182 61.359 58.056 1.00 0.00 WT2 O ATOM 34274 H1 TIP3 7718 90.785 60.924 57.454 1.00 0.00 WT2 H ATOM 34275 H2 TIP3 7718 90.166 62.270 57.763 1.00 0.00 WT2 H ATOM 34276 OH2 TIP3 7730 36.101 5.384 -16.517 1.00 0.00 WT2 O ATOM 34277 H1 TIP3 7730 35.530 6.148 -16.600 1.00 0.00 WT2 H ATOM 34278 H2 TIP3 7730 35.530 4.638 -16.703 1.00 0.00 WT2 H ATOM 34279 OH2 TIP3 7731 60.136 44.251 43.135 1.00 0.00 WT2 O ATOM 34280 H1 TIP3 7731 59.425 43.878 42.615 1.00 0.00 WT2 H ATOM 34281 H2 TIP3 7731 60.272 45.124 42.766 1.00 0.00 WT2 H ATOM 34282 OH2 TIP3 7734 85.444 20.834 54.599 1.00 0.00 WT2 O ATOM 34283 H1 TIP3 7734 85.523 21.024 55.534 1.00 0.00 WT2 H ATOM 34284 H2 TIP3 7734 84.533 20.564 54.485 1.00 0.00 WT2 H ATOM 34285 OH2 TIP3 7735 59.039 1.860 27.448 1.00 0.00 WT2 O ATOM 34286 H1 TIP3 7735 58.400 2.198 28.076 1.00 0.00 WT2 H ATOM 34287 H2 TIP3 7735 58.686 1.011 27.181 1.00 0.00 WT2 H ATOM 34288 OH2 TIP3 7736 30.737 21.426 3.711 1.00 0.00 WT2 O ATOM 34289 H1 TIP3 7736 31.015 20.533 3.915 1.00 0.00 WT2 H ATOM 34290 H2 TIP3 7736 31.032 21.570 2.812 1.00 0.00 WT2 H ATOM 34291 OH2 TIP3 7737 81.265 41.356 46.663 1.00 0.00 WT2 O ATOM 34292 H1 TIP3 7737 81.683 42.084 46.202 1.00 0.00 WT2 H ATOM 34293 H2 TIP3 7737 80.369 41.654 46.819 1.00 0.00 WT2 H ATOM 34294 OH2 TIP3 7748 68.038 22.466 -12.153 1.00 0.00 WT2 O ATOM 34295 H1 TIP3 7748 67.107 22.588 -12.340 1.00 0.00 WT2 H ATOM 34296 H2 TIP3 7748 68.479 23.116 -12.699 1.00 0.00 WT2 H ATOM 34297 OH2 TIP3 7750 21.044 55.570 6.656 1.00 0.00 WT2 O ATOM 34298 H1 TIP3 7750 20.380 55.642 5.970 1.00 0.00 WT2 H ATOM 34299 H2 TIP3 7750 20.735 56.150 7.351 1.00 0.00 WT2 H ATOM 34300 OH2 TIP3 7751 35.771 74.551 19.081 1.00 0.00 WT2 O ATOM 34301 H1 TIP3 7751 36.173 73.731 18.793 1.00 0.00 WT2 H ATOM 34302 H2 TIP3 7751 36.456 74.990 19.585 1.00 0.00 WT2 H ATOM 34303 OH2 TIP3 7752 71.981 83.255 -6.054 1.00 0.00 WT2 O ATOM 34304 H1 TIP3 7752 71.161 83.631 -6.376 1.00 0.00 WT2 H ATOM 34305 H2 TIP3 7752 72.663 83.704 -6.553 1.00 0.00 WT2 H ATOM 34306 OH2 TIP3 7753 76.318 28.039 65.174 1.00 0.00 WT2 O ATOM 34307 H1 TIP3 7753 75.628 27.487 64.805 1.00 0.00 WT2 H ATOM 34308 H2 TIP3 7753 77.025 28.004 64.530 1.00 0.00 WT2 H ATOM 34309 OH2 TIP3 7754 89.032 46.244 -15.616 1.00 0.00 WT2 O ATOM 34310 H1 TIP3 7754 89.623 45.664 -16.095 1.00 0.00 WT2 H ATOM 34311 H2 TIP3 7754 88.165 46.050 -15.973 1.00 0.00 WT2 H ATOM 34312 OH2 TIP3 7755 57.380 17.761 66.870 1.00 0.00 WT2 O ATOM 34313 H1 TIP3 7755 56.556 17.916 66.407 1.00 0.00 WT2 H ATOM 34314 H2 TIP3 7755 58.030 17.659 66.174 1.00 0.00 WT2 H ATOM 34315 OH2 TIP3 7757 70.031 22.942 11.238 1.00 0.00 WT2 O ATOM 34316 H1 TIP3 7757 69.106 22.740 11.384 1.00 0.00 WT2 H ATOM 34317 H2 TIP3 7757 70.277 23.492 11.981 1.00 0.00 WT2 H ATOM 34318 OH2 TIP3 7772 41.357 48.443 66.066 1.00 0.00 WT2 O ATOM 34319 H1 TIP3 7772 40.966 49.314 66.135 1.00 0.00 WT2 H ATOM 34320 H2 TIP3 7772 41.689 48.259 66.945 1.00 0.00 WT2 H ATOM 34321 OH2 TIP3 7773 72.062 8.778 5.589 1.00 0.00 WT2 O ATOM 34322 H1 TIP3 7773 71.353 8.289 6.006 1.00 0.00 WT2 H ATOM 34323 H2 TIP3 7773 72.824 8.203 5.662 1.00 0.00 WT2 H ATOM 34324 OH2 TIP3 7774 26.082 48.817 -14.370 1.00 0.00 WT2 O ATOM 34325 H1 TIP3 7774 26.662 49.469 -14.762 1.00 0.00 WT2 H ATOM 34326 H2 TIP3 7774 25.608 49.295 -13.690 1.00 0.00 WT2 H ATOM 34327 OH2 TIP3 7776 75.073 75.871 -15.729 1.00 0.00 WT2 O ATOM 34328 H1 TIP3 7776 74.206 75.983 -16.120 1.00 0.00 WT2 H ATOM 34329 H2 TIP3 7776 75.167 76.617 -15.136 1.00 0.00 WT2 H ATOM 34330 OH2 TIP3 7780 72.450 35.787 63.733 1.00 0.00 WT2 O ATOM 34331 H1 TIP3 7780 71.708 36.323 64.014 1.00 0.00 WT2 H ATOM 34332 H2 TIP3 7780 72.674 36.123 62.866 1.00 0.00 WT2 H ATOM 34333 OH2 TIP3 7791 29.751 87.727 12.211 1.00 0.00 WT2 O ATOM 34334 H1 TIP3 7791 30.579 87.461 12.612 1.00 0.00 WT2 H ATOM 34335 H2 TIP3 7791 29.138 87.029 12.441 1.00 0.00 WT2 H ATOM 34336 OH2 TIP3 7793 68.446 67.251 47.772 1.00 0.00 WT2 O ATOM 34337 H1 TIP3 7793 67.572 67.118 47.402 1.00 0.00 WT2 H ATOM 34338 H2 TIP3 7793 68.951 67.641 47.058 1.00 0.00 WT2 H ATOM 34339 OH2 TIP3 7795 78.836 69.787 32.891 1.00 0.00 WT2 O ATOM 34340 H1 TIP3 7795 78.315 69.964 33.675 1.00 0.00 WT2 H ATOM 34341 H2 TIP3 7795 78.289 70.090 32.166 1.00 0.00 WT2 H ATOM 34342 OH2 TIP3 7796 59.796 70.510 32.377 1.00 0.00 WT2 O ATOM 34343 H1 TIP3 7796 58.908 70.338 32.062 1.00 0.00 WT2 H ATOM 34344 H2 TIP3 7796 60.243 69.666 32.306 1.00 0.00 WT2 H ATOM 34345 OH2 TIP3 7797 86.847 9.342 -12.342 1.00 0.00 WT2 O ATOM 34346 H1 TIP3 7797 85.977 9.097 -12.026 1.00 0.00 WT2 H ATOM 34347 H2 TIP3 7797 87.441 9.074 -11.641 1.00 0.00 WT2 H ATOM 34348 OH2 TIP3 7798 38.763 41.027 61.077 1.00 0.00 WT2 O ATOM 34349 H1 TIP3 7798 38.203 40.301 60.802 1.00 0.00 WT2 H ATOM 34350 H2 TIP3 7798 39.632 40.637 61.175 1.00 0.00 WT2 H ATOM 34351 OH2 TIP3 7799 49.540 49.457 66.574 1.00 0.00 WT2 O ATOM 34352 H1 TIP3 7799 49.102 50.287 66.382 1.00 0.00 WT2 H ATOM 34353 H2 TIP3 7799 49.405 48.927 65.789 1.00 0.00 WT2 H ATOM 34354 OH2 TIP3 7806 58.225 9.966 35.942 1.00 0.00 WT2 O ATOM 34355 H1 TIP3 7806 58.163 10.793 36.420 1.00 0.00 WT2 H ATOM 34356 H2 TIP3 7806 58.853 10.140 35.241 1.00 0.00 WT2 H ATOM 34357 OH2 TIP3 7811 55.143 80.039 39.388 1.00 0.00 WT2 O ATOM 34358 H1 TIP3 7811 54.393 80.616 39.245 1.00 0.00 WT2 H ATOM 34359 H2 TIP3 7811 55.629 80.069 38.564 1.00 0.00 WT2 H ATOM 34360 OH2 TIP3 7813 36.428 41.678 -17.704 1.00 0.00 WT2 O ATOM 34361 H1 TIP3 7813 36.786 42.480 -18.086 1.00 0.00 WT2 H ATOM 34362 H2 TIP3 7813 36.511 41.805 -16.759 1.00 0.00 WT2 H ATOM 34363 OH2 TIP3 7815 90.620 38.388 46.668 1.00 0.00 WT2 O ATOM 34364 H1 TIP3 7815 89.982 38.378 45.954 1.00 0.00 WT2 H ATOM 34365 H2 TIP3 7815 91.209 39.111 46.453 1.00 0.00 WT2 H ATOM 34366 OH2 TIP3 7816 60.750 88.135 31.228 1.00 0.00 WT2 O ATOM 34367 H1 TIP3 7816 61.674 87.945 31.387 1.00 0.00 WT2 H ATOM 34368 H2 TIP3 7816 60.702 89.091 31.208 1.00 0.00 WT2 H ATOM 34369 OH2 TIP3 7817 59.974 76.002 62.479 1.00 0.00 WT2 O ATOM 34370 H1 TIP3 7817 60.768 75.946 61.948 1.00 0.00 WT2 H ATOM 34371 H2 TIP3 7817 59.327 75.484 62.000 1.00 0.00 WT2 H ATOM 34372 OH2 TIP3 7818 20.605 89.199 43.827 1.00 0.00 WT2 O ATOM 34373 H1 TIP3 7818 20.934 89.817 43.173 1.00 0.00 WT2 H ATOM 34374 H2 TIP3 7818 21.349 89.049 44.411 1.00 0.00 WT2 H ATOM 34375 OH2 TIP3 7820 69.018 8.674 36.930 1.00 0.00 WT2 O ATOM 34376 H1 TIP3 7820 69.179 7.749 37.116 1.00 0.00 WT2 H ATOM 34377 H2 TIP3 7820 69.851 9.105 37.122 1.00 0.00 WT2 H ATOM 34378 OH2 TIP3 7833 27.354 58.684 -16.944 1.00 0.00 WT2 O ATOM 34379 H1 TIP3 7833 27.860 58.214 -16.281 1.00 0.00 WT2 H ATOM 34380 H2 TIP3 7833 26.766 59.248 -16.441 1.00 0.00 WT2 H ATOM 34381 OH2 TIP3 7835 66.466 87.450 24.031 1.00 0.00 WT2 O ATOM 34382 H1 TIP3 7835 67.338 87.067 23.935 1.00 0.00 WT2 H ATOM 34383 H2 TIP3 7835 66.627 88.337 24.354 1.00 0.00 WT2 H ATOM 34384 OH2 TIP3 7836 73.181 51.555 27.997 1.00 0.00 WT2 O ATOM 34385 H1 TIP3 7836 73.032 51.150 28.852 1.00 0.00 WT2 H ATOM 34386 H2 TIP3 7836 72.570 51.109 27.410 1.00 0.00 WT2 H ATOM 34387 OH2 TIP3 7837 55.878 63.188 62.797 1.00 0.00 WT2 O ATOM 34388 H1 TIP3 7837 55.382 63.509 62.044 1.00 0.00 WT2 H ATOM 34389 H2 TIP3 7837 55.266 62.615 63.261 1.00 0.00 WT2 H ATOM 34390 OH2 TIP3 7838 79.030 48.608 58.837 1.00 0.00 WT2 O ATOM 34391 H1 TIP3 7838 79.618 48.803 59.567 1.00 0.00 WT2 H ATOM 34392 H2 TIP3 7838 78.367 48.028 59.212 1.00 0.00 WT2 H ATOM 34393 OH2 TIP3 7839 74.299 53.618 -9.278 1.00 0.00 WT2 O ATOM 34394 H1 TIP3 7839 73.976 54.344 -8.744 1.00 0.00 WT2 H ATOM 34395 H2 TIP3 7839 73.536 53.052 -9.398 1.00 0.00 WT2 H ATOM 34396 OH2 TIP3 7840 35.281 5.544 33.475 1.00 0.00 WT2 O ATOM 34397 H1 TIP3 7840 35.685 4.753 33.119 1.00 0.00 WT2 H ATOM 34398 H2 TIP3 7840 34.625 5.792 32.823 1.00 0.00 WT2 H ATOM 34399 OH2 TIP3 7842 75.792 51.301 -18.022 1.00 0.00 WT2 O ATOM 34400 H1 TIP3 7842 74.856 51.497 -18.052 1.00 0.00 WT2 H ATOM 34401 H2 TIP3 7842 75.923 50.884 -17.171 1.00 0.00 WT2 H ATOM 34402 OH2 TIP3 7853 20.034 8.084 64.246 1.00 0.00 WT2 O ATOM 34403 H1 TIP3 7853 20.520 7.425 63.750 1.00 0.00 WT2 H ATOM 34404 H2 TIP3 7853 20.478 8.909 64.049 1.00 0.00 WT2 H ATOM 34405 OH2 TIP3 7854 21.892 25.280 1.261 1.00 0.00 WT2 O ATOM 34406 H1 TIP3 7854 21.742 24.341 1.373 1.00 0.00 WT2 H ATOM 34407 H2 TIP3 7854 21.822 25.641 2.145 1.00 0.00 WT2 H ATOM 34408 OH2 TIP3 7856 71.821 60.842 41.725 1.00 0.00 WT2 O ATOM 34409 H1 TIP3 7856 71.684 59.905 41.864 1.00 0.00 WT2 H ATOM 34410 H2 TIP3 7856 71.444 61.257 42.501 1.00 0.00 WT2 H ATOM 34411 OH2 TIP3 7858 39.868 73.048 54.706 1.00 0.00 WT2 O ATOM 34412 H1 TIP3 7858 39.107 72.552 54.406 1.00 0.00 WT2 H ATOM 34413 H2 TIP3 7858 40.306 73.327 53.902 1.00 0.00 WT2 H ATOM 34414 OH2 TIP3 7859 35.289 41.183 52.774 1.00 0.00 WT2 O ATOM 34415 H1 TIP3 7859 35.748 41.973 53.058 1.00 0.00 WT2 H ATOM 34416 H2 TIP3 7859 35.985 40.580 52.515 1.00 0.00 WT2 H ATOM 34417 OH2 TIP3 7861 77.461 47.526 64.999 1.00 0.00 WT2 O ATOM 34418 H1 TIP3 7861 77.508 47.854 64.101 1.00 0.00 WT2 H ATOM 34419 H2 TIP3 7861 77.829 46.644 64.952 1.00 0.00 WT2 H ATOM 34420 OH2 TIP3 7864 44.727 0.304 19.182 1.00 0.00 WT2 O ATOM 34421 H1 TIP3 7864 44.982 -0.515 19.608 1.00 0.00 WT2 H ATOM 34422 H2 TIP3 7864 44.169 0.744 19.823 1.00 0.00 WT2 H ATOM 34423 OH2 TIP3 7865 77.403 4.481 57.382 1.00 0.00 WT2 O ATOM 34424 H1 TIP3 7865 77.450 5.430 57.272 1.00 0.00 WT2 H ATOM 34425 H2 TIP3 7865 78.188 4.149 56.947 1.00 0.00 WT2 H ATOM 34426 OH2 TIP3 7872 85.353 69.416 60.331 1.00 0.00 WT2 O ATOM 34427 H1 TIP3 7872 86.007 70.054 60.045 1.00 0.00 WT2 H ATOM 34428 H2 TIP3 7872 84.571 69.938 60.509 1.00 0.00 WT2 H ATOM 34429 OH2 TIP3 7875 46.735 64.464 57.021 1.00 0.00 WT2 O ATOM 34430 H1 TIP3 7875 47.172 63.983 56.318 1.00 0.00 WT2 H ATOM 34431 H2 TIP3 7875 47.039 65.366 56.919 1.00 0.00 WT2 H ATOM 34432 OH2 TIP3 7878 28.764 95.976 45.849 1.00 0.00 WT2 O ATOM 34433 H1 TIP3 7878 29.276 96.760 45.650 1.00 0.00 WT2 H ATOM 34434 H2 TIP3 7878 29.359 95.424 46.357 1.00 0.00 WT2 H ATOM 34435 OH2 TIP3 7880 73.568 83.870 42.374 1.00 0.00 WT2 O ATOM 34436 H1 TIP3 7880 73.447 83.950 43.320 1.00 0.00 WT2 H ATOM 34437 H2 TIP3 7880 74.277 83.235 42.275 1.00 0.00 WT2 H ATOM 34438 OH2 TIP3 7882 71.432 37.073 61.012 1.00 0.00 WT2 O ATOM 34439 H1 TIP3 7882 70.941 37.808 60.645 1.00 0.00 WT2 H ATOM 34440 H2 TIP3 7882 71.638 36.521 60.257 1.00 0.00 WT2 H ATOM 34441 OH2 TIP3 7884 59.638 56.765 -18.992 1.00 0.00 WT2 O ATOM 34442 H1 TIP3 7884 60.204 57.192 -18.349 1.00 0.00 WT2 H ATOM 34443 H2 TIP3 7884 59.682 57.331 -19.763 1.00 0.00 WT2 H ATOM 34444 OH2 TIP3 7895 41.537 68.915 15.878 1.00 0.00 WT2 O ATOM 34445 H1 TIP3 7895 40.937 68.299 15.458 1.00 0.00 WT2 H ATOM 34446 H2 TIP3 7895 42.013 68.387 16.519 1.00 0.00 WT2 H ATOM 34447 OH2 TIP3 7899 63.080 48.024 -19.018 1.00 0.00 WT2 O ATOM 34448 H1 TIP3 7899 63.600 48.368 -18.291 1.00 0.00 WT2 H ATOM 34449 H2 TIP3 7899 62.201 48.374 -18.871 1.00 0.00 WT2 H ATOM 34450 OH2 TIP3 7900 61.905 21.261 65.974 1.00 0.00 WT2 O ATOM 34451 H1 TIP3 7900 62.348 21.622 66.742 1.00 0.00 WT2 H ATOM 34452 H2 TIP3 7900 61.798 20.331 66.174 1.00 0.00 WT2 H ATOM 34453 OH2 TIP3 7905 66.686 50.875 -11.802 1.00 0.00 WT2 O ATOM 34454 H1 TIP3 7905 66.391 50.134 -11.273 1.00 0.00 WT2 H ATOM 34455 H2 TIP3 7905 66.461 51.646 -11.282 1.00 0.00 WT2 H ATOM 34456 OH2 TIP3 7919 74.712 78.223 48.468 1.00 0.00 WT2 O ATOM 34457 H1 TIP3 7919 73.886 78.276 48.949 1.00 0.00 WT2 H ATOM 34458 H2 TIP3 7919 74.548 78.705 47.657 1.00 0.00 WT2 H ATOM 34459 OH2 TIP3 7920 39.565 41.842 15.461 1.00 0.00 WT2 O ATOM 34460 H1 TIP3 7920 40.330 41.366 15.785 1.00 0.00 WT2 H ATOM 34461 H2 TIP3 7920 39.690 42.738 15.771 1.00 0.00 WT2 H ATOM 34462 OH2 TIP3 7921 67.932 25.539 56.144 1.00 0.00 WT2 O ATOM 34463 H1 TIP3 7921 67.938 24.790 55.549 1.00 0.00 WT2 H ATOM 34464 H2 TIP3 7921 67.177 25.389 56.712 1.00 0.00 WT2 H ATOM 34465 OH2 TIP3 7922 23.476 87.788 33.464 1.00 0.00 WT2 O ATOM 34466 H1 TIP3 7922 24.361 87.477 33.275 1.00 0.00 WT2 H ATOM 34467 H2 TIP3 7922 23.425 88.642 33.034 1.00 0.00 WT2 H ATOM 34468 OH2 TIP3 7933 25.026 56.831 43.488 1.00 0.00 WT2 O ATOM 34469 H1 TIP3 7933 24.272 56.262 43.332 1.00 0.00 WT2 H ATOM 34470 H2 TIP3 7933 25.148 57.300 42.663 1.00 0.00 WT2 H ATOM 34471 OH2 TIP3 7938 72.967 57.333 4.703 1.00 0.00 WT2 O ATOM 34472 H1 TIP3 7938 72.029 57.524 4.681 1.00 0.00 WT2 H ATOM 34473 H2 TIP3 7938 73.363 58.121 5.076 1.00 0.00 WT2 H ATOM 34474 OH2 TIP3 7939 58.201 95.468 40.265 1.00 0.00 WT2 O ATOM 34475 H1 TIP3 7939 57.249 95.434 40.169 1.00 0.00 WT2 H ATOM 34476 H2 TIP3 7939 58.494 94.579 40.063 1.00 0.00 WT2 H ATOM 34477 OH2 TIP3 7940 75.195 59.784 62.457 1.00 0.00 WT2 O ATOM 34478 H1 TIP3 7940 74.821 59.457 61.639 1.00 0.00 WT2 H ATOM 34479 H2 TIP3 7940 75.316 59.002 62.996 1.00 0.00 WT2 H ATOM 34480 OH2 TIP3 7941 70.301 9.635 -7.609 1.00 0.00 WT2 O ATOM 34481 H1 TIP3 7941 71.080 10.172 -7.749 1.00 0.00 WT2 H ATOM 34482 H2 TIP3 7941 70.453 9.205 -6.768 1.00 0.00 WT2 H ATOM 34483 OH2 TIP3 7942 85.645 67.191 19.006 1.00 0.00 WT2 O ATOM 34484 H1 TIP3 7942 84.993 66.571 19.333 1.00 0.00 WT2 H ATOM 34485 H2 TIP3 7942 85.246 67.567 18.222 1.00 0.00 WT2 H ATOM 34486 OH2 TIP3 7944 38.223 22.831 7.496 1.00 0.00 WT2 O ATOM 34487 H1 TIP3 7944 38.153 23.008 8.434 1.00 0.00 WT2 H ATOM 34488 H2 TIP3 7944 38.055 23.676 7.079 1.00 0.00 WT2 H ATOM 34489 OH2 TIP3 7946 88.477 24.057 42.301 1.00 0.00 WT2 O ATOM 34490 H1 TIP3 7946 89.032 24.831 42.198 1.00 0.00 WT2 H ATOM 34491 H2 TIP3 7946 88.489 23.877 43.241 1.00 0.00 WT2 H ATOM 34492 OH2 TIP3 7947 32.720 20.126 37.020 1.00 0.00 WT2 O ATOM 34493 H1 TIP3 7947 32.752 21.077 36.918 1.00 0.00 WT2 H ATOM 34494 H2 TIP3 7947 31.823 19.946 37.302 1.00 0.00 WT2 H ATOM 34495 OH2 TIP3 7949 56.382 19.673 7.013 1.00 0.00 WT2 O ATOM 34496 H1 TIP3 7949 56.070 18.769 7.061 1.00 0.00 WT2 H ATOM 34497 H2 TIP3 7949 56.032 20.003 6.185 1.00 0.00 WT2 H ATOM 34498 OH2 TIP3 7959 38.161 59.729 63.692 1.00 0.00 WT2 O ATOM 34499 H1 TIP3 7959 38.474 59.510 64.570 1.00 0.00 WT2 H ATOM 34500 H2 TIP3 7959 38.859 60.263 63.314 1.00 0.00 WT2 H ATOM 34501 OH2 TIP3 7962 31.593 66.115 24.175 1.00 0.00 WT2 O ATOM 34502 H1 TIP3 7962 32.463 65.802 24.422 1.00 0.00 WT2 H ATOM 34503 H2 TIP3 7962 31.084 65.318 24.029 1.00 0.00 WT2 H ATOM 34504 OH2 TIP3 7963 47.274 12.832 55.546 1.00 0.00 WT2 O ATOM 34505 H1 TIP3 7963 47.382 12.188 54.847 1.00 0.00 WT2 H ATOM 34506 H2 TIP3 7963 47.931 12.591 56.198 1.00 0.00 WT2 H ATOM 34507 OH2 TIP3 7964 58.060 19.961 -14.223 1.00 0.00 WT2 O ATOM 34508 H1 TIP3 7964 58.383 20.441 -14.985 1.00 0.00 WT2 H ATOM 34509 H2 TIP3 7964 58.452 20.408 -13.473 1.00 0.00 WT2 H ATOM 34510 OH2 TIP3 7965 84.943 23.334 0.088 1.00 0.00 WT2 O ATOM 34511 H1 TIP3 7965 85.073 24.228 -0.229 1.00 0.00 WT2 H ATOM 34512 H2 TIP3 7965 85.431 22.787 -0.528 1.00 0.00 WT2 H ATOM 34513 OH2 TIP3 7967 66.092 10.987 -15.863 1.00 0.00 WT2 O ATOM 34514 H1 TIP3 7967 65.912 10.502 -15.057 1.00 0.00 WT2 H ATOM 34515 H2 TIP3 7967 66.722 11.659 -15.603 1.00 0.00 WT2 H ATOM 34516 OH2 TIP3 7969 75.922 22.481 47.708 1.00 0.00 WT2 O ATOM 34517 H1 TIP3 7969 75.968 22.788 46.803 1.00 0.00 WT2 H ATOM 34518 H2 TIP3 7969 75.211 22.989 48.099 1.00 0.00 WT2 H ATOM 34519 OH2 TIP3 7972 59.974 81.363 -7.765 1.00 0.00 WT2 O ATOM 34520 H1 TIP3 7972 60.566 81.920 -7.259 1.00 0.00 WT2 H ATOM 34521 H2 TIP3 7972 60.265 80.471 -7.576 1.00 0.00 WT2 H ATOM 34522 OH2 TIP3 7979 42.346 50.241 16.898 1.00 0.00 WT2 O ATOM 34523 H1 TIP3 7979 42.939 50.989 16.835 1.00 0.00 WT2 H ATOM 34524 H2 TIP3 7979 41.887 50.368 17.729 1.00 0.00 WT2 H ATOM 34525 OH2 TIP3 7981 64.207 4.045 57.914 1.00 0.00 WT2 O ATOM 34526 H1 TIP3 7981 63.867 3.398 58.532 1.00 0.00 WT2 H ATOM 34527 H2 TIP3 7981 64.822 3.555 57.367 1.00 0.00 WT2 H ATOM 34528 OH2 TIP3 7983 38.872 25.651 45.264 1.00 0.00 WT2 O ATOM 34529 H1 TIP3 7983 39.242 26.292 44.657 1.00 0.00 WT2 H ATOM 34530 H2 TIP3 7983 37.927 25.697 45.115 1.00 0.00 WT2 H ATOM 34531 OH2 TIP3 7984 22.615 63.481 11.332 1.00 0.00 WT2 O ATOM 34532 H1 TIP3 7984 23.409 63.608 11.851 1.00 0.00 WT2 H ATOM 34533 H2 TIP3 7984 21.899 63.643 11.946 1.00 0.00 WT2 H ATOM 34534 OH2 TIP3 7985 75.900 85.869 35.997 1.00 0.00 WT2 O ATOM 34535 H1 TIP3 7985 75.514 85.658 36.848 1.00 0.00 WT2 H ATOM 34536 H2 TIP3 7985 75.564 86.742 35.792 1.00 0.00 WT2 H ATOM 34537 OH2 TIP3 7986 24.248 94.759 -19.492 1.00 0.00 WT2 O ATOM 34538 H1 TIP3 7986 23.561 94.722 -20.156 1.00 0.00 WT2 H ATOM 34539 H2 TIP3 7986 23.779 94.723 -18.658 1.00 0.00 WT2 H ATOM 34540 OH2 TIP3 7987 81.067 84.079 -1.865 1.00 0.00 WT2 O ATOM 34541 H1 TIP3 7987 81.828 84.376 -2.365 1.00 0.00 WT2 H ATOM 34542 H2 TIP3 7987 81.147 83.125 -1.852 1.00 0.00 WT2 H ATOM 34543 OH2 TIP3 8003 90.584 45.837 43.627 1.00 0.00 WT2 O ATOM 34544 H1 TIP3 8003 89.836 46.327 43.287 1.00 0.00 WT2 H ATOM 34545 H2 TIP3 8003 90.759 46.229 44.483 1.00 0.00 WT2 H ATOM 34546 OH2 TIP3 8004 20.190 72.648 -3.085 1.00 0.00 WT2 O ATOM 34547 H1 TIP3 8004 20.709 72.749 -2.287 1.00 0.00 WT2 H ATOM 34548 H2 TIP3 8004 20.839 72.544 -3.781 1.00 0.00 WT2 H ATOM 34549 OH2 TIP3 8005 67.916 21.728 9.175 1.00 0.00 WT2 O ATOM 34550 H1 TIP3 8005 67.899 21.612 10.125 1.00 0.00 WT2 H ATOM 34551 H2 TIP3 8005 67.424 20.982 8.833 1.00 0.00 WT2 H ATOM 34552 OH2 TIP3 8007 82.772 61.587 -8.835 1.00 0.00 WT2 O ATOM 34553 H1 TIP3 8007 83.371 61.625 -8.089 1.00 0.00 WT2 H ATOM 34554 H2 TIP3 8007 81.987 61.160 -8.490 1.00 0.00 WT2 H ATOM 34555 OH2 TIP3 8012 45.158 44.557 14.072 1.00 0.00 WT2 O ATOM 34556 H1 TIP3 8012 45.341 45.418 14.449 1.00 0.00 WT2 H ATOM 34557 H2 TIP3 8012 44.522 44.163 14.670 1.00 0.00 WT2 H ATOM 34558 OH2 TIP3 8020 43.070 74.082 14.241 1.00 0.00 WT2 O ATOM 34559 H1 TIP3 8020 43.770 74.192 14.884 1.00 0.00 WT2 H ATOM 34560 H2 TIP3 8020 43.123 73.161 13.984 1.00 0.00 WT2 H ATOM 34561 OH2 TIP3 8022 89.959 5.423 50.385 1.00 0.00 WT2 O ATOM 34562 H1 TIP3 8022 90.083 4.479 50.292 1.00 0.00 WT2 H ATOM 34563 H2 TIP3 8022 90.645 5.811 49.842 1.00 0.00 WT2 H ATOM 34564 OH2 TIP3 8023 63.192 12.466 58.932 1.00 0.00 WT2 O ATOM 34565 H1 TIP3 8023 63.854 12.645 59.600 1.00 0.00 WT2 H ATOM 34566 H2 TIP3 8023 62.758 11.667 59.231 1.00 0.00 WT2 H ATOM 34567 OH2 TIP3 8024 79.691 62.821 31.620 1.00 0.00 WT2 O ATOM 34568 H1 TIP3 8024 78.873 63.307 31.717 1.00 0.00 WT2 H ATOM 34569 H2 TIP3 8024 79.464 61.920 31.851 1.00 0.00 WT2 H ATOM 34570 OH2 TIP3 8027 30.411 56.249 15.444 1.00 0.00 WT2 O ATOM 34571 H1 TIP3 8027 31.176 56.666 15.840 1.00 0.00 WT2 H ATOM 34572 H2 TIP3 8027 30.775 55.636 14.805 1.00 0.00 WT2 H ATOM 34573 OH2 TIP3 8029 21.219 66.593 39.475 1.00 0.00 WT2 O ATOM 34574 H1 TIP3 8029 21.751 67.066 40.115 1.00 0.00 WT2 H ATOM 34575 H2 TIP3 8029 21.737 66.615 38.670 1.00 0.00 WT2 H ATOM 34576 OH2 TIP3 8030 41.153 15.537 12.444 1.00 0.00 WT2 O ATOM 34577 H1 TIP3 8030 40.863 14.625 12.420 1.00 0.00 WT2 H ATOM 34578 H2 TIP3 8030 42.087 15.488 12.647 1.00 0.00 WT2 H ATOM 34579 OH2 TIP3 8040 60.843 41.683 45.097 1.00 0.00 WT2 O ATOM 34580 H1 TIP3 8040 61.523 42.265 44.757 1.00 0.00 WT2 H ATOM 34581 H2 TIP3 8040 61.326 40.961 45.500 1.00 0.00 WT2 H ATOM 34582 OH2 TIP3 8041 36.788 10.512 43.395 1.00 0.00 WT2 O ATOM 34583 H1 TIP3 8041 37.262 11.330 43.543 1.00 0.00 WT2 H ATOM 34584 H2 TIP3 8041 36.833 10.053 44.234 1.00 0.00 WT2 H ATOM 34585 OH2 TIP3 8045 28.982 67.070 43.223 1.00 0.00 WT2 O ATOM 34586 H1 TIP3 8045 29.765 66.536 43.090 1.00 0.00 WT2 H ATOM 34587 H2 TIP3 8045 29.056 67.770 42.574 1.00 0.00 WT2 H ATOM 34588 OH2 TIP3 8046 21.163 1.980 33.750 1.00 0.00 WT2 O ATOM 34589 H1 TIP3 8046 21.104 2.714 33.138 1.00 0.00 WT2 H ATOM 34590 H2 TIP3 8046 20.288 1.918 34.134 1.00 0.00 WT2 H ATOM 34591 OH2 TIP3 8047 79.041 47.237 47.325 1.00 0.00 WT2 O ATOM 34592 H1 TIP3 8047 79.118 47.765 48.120 1.00 0.00 WT2 H ATOM 34593 H2 TIP3 8047 78.568 47.797 46.709 1.00 0.00 WT2 H ATOM 34594 OH2 TIP3 8050 22.146 65.427 44.117 1.00 0.00 WT2 O ATOM 34595 H1 TIP3 8050 22.944 65.168 44.578 1.00 0.00 WT2 H ATOM 34596 H2 TIP3 8050 21.584 64.653 44.156 1.00 0.00 WT2 H ATOM 34597 OH2 TIP3 8052 66.896 1.694 10.112 1.00 0.00 WT2 O ATOM 34598 H1 TIP3 8052 66.725 0.793 9.836 1.00 0.00 WT2 H ATOM 34599 H2 TIP3 8052 67.848 1.741 10.202 1.00 0.00 WT2 H ATOM 34600 OH2 TIP3 8063 45.052 75.630 -11.106 1.00 0.00 WT2 O ATOM 34601 H1 TIP3 8063 45.110 76.188 -11.881 1.00 0.00 WT2 H ATOM 34602 H2 TIP3 8063 44.878 74.755 -11.453 1.00 0.00 WT2 H ATOM 34603 OH2 TIP3 8064 84.776 23.424 39.354 1.00 0.00 WT2 O ATOM 34604 H1 TIP3 8064 84.370 22.771 38.783 1.00 0.00 WT2 H ATOM 34605 H2 TIP3 8064 84.421 23.236 40.223 1.00 0.00 WT2 H ATOM 34606 OH2 TIP3 8067 45.941 43.157 2.729 1.00 0.00 WT2 O ATOM 34607 H1 TIP3 8067 46.548 42.427 2.854 1.00 0.00 WT2 H ATOM 34608 H2 TIP3 8067 45.468 43.222 3.558 1.00 0.00 WT2 H ATOM 34609 OH2 TIP3 8068 64.962 23.301 -11.572 1.00 0.00 WT2 O ATOM 34610 H1 TIP3 8068 64.613 22.522 -11.138 1.00 0.00 WT2 H ATOM 34611 H2 TIP3 8068 64.426 23.398 -12.359 1.00 0.00 WT2 H ATOM 34612 OH2 TIP3 8069 66.194 13.562 45.168 1.00 0.00 WT2 O ATOM 34613 H1 TIP3 8069 66.606 13.239 44.366 1.00 0.00 WT2 H ATOM 34614 H2 TIP3 8069 66.524 12.983 45.856 1.00 0.00 WT2 H ATOM 34615 OH2 TIP3 8070 81.785 19.271 48.093 1.00 0.00 WT2 O ATOM 34616 H1 TIP3 8070 82.606 19.717 47.886 1.00 0.00 WT2 H ATOM 34617 H2 TIP3 8070 82.031 18.353 48.204 1.00 0.00 WT2 H ATOM 34618 OH2 TIP3 8071 26.359 63.616 -12.350 1.00 0.00 WT2 O ATOM 34619 H1 TIP3 8071 26.635 64.160 -13.088 1.00 0.00 WT2 H ATOM 34620 H2 TIP3 8071 26.303 64.223 -11.612 1.00 0.00 WT2 H ATOM 34621 OH2 TIP3 8075 70.645 39.828 53.580 1.00 0.00 WT2 O ATOM 34622 H1 TIP3 8075 71.350 40.460 53.435 1.00 0.00 WT2 H ATOM 34623 H2 TIP3 8075 70.281 39.670 52.709 1.00 0.00 WT2 H ATOM 34624 OH2 TIP3 8084 44.664 80.329 -9.394 1.00 0.00 WT2 O ATOM 34625 H1 TIP3 8084 45.021 80.020 -8.561 1.00 0.00 WT2 H ATOM 34626 H2 TIP3 8084 43.956 79.716 -9.593 1.00 0.00 WT2 H ATOM 34627 OH2 TIP3 8085 58.337 25.393 20.824 1.00 0.00 WT2 O ATOM 34628 H1 TIP3 8085 58.198 25.863 21.646 1.00 0.00 WT2 H ATOM 34629 H2 TIP3 8085 57.649 25.716 20.243 1.00 0.00 WT2 H ATOM 34630 OH2 TIP3 8087 62.168 93.192 29.784 1.00 0.00 WT2 O ATOM 34631 H1 TIP3 8087 61.305 93.041 30.170 1.00 0.00 WT2 H ATOM 34632 H2 TIP3 8087 62.067 93.997 29.277 1.00 0.00 WT2 H ATOM 34633 OH2 TIP3 8088 22.652 69.747 8.650 1.00 0.00 WT2 O ATOM 34634 H1 TIP3 8088 22.714 70.577 9.122 1.00 0.00 WT2 H ATOM 34635 H2 TIP3 8088 23.472 69.687 8.160 1.00 0.00 WT2 H ATOM 34636 OH2 TIP3 8089 45.382 15.156 17.770 1.00 0.00 WT2 O ATOM 34637 H1 TIP3 8089 45.238 15.789 18.473 1.00 0.00 WT2 H ATOM 34638 H2 TIP3 8089 45.556 15.691 16.996 1.00 0.00 WT2 H ATOM 34639 OH2 TIP3 8091 45.260 49.366 62.086 1.00 0.00 WT2 O ATOM 34640 H1 TIP3 8091 44.456 49.885 62.064 1.00 0.00 WT2 H ATOM 34641 H2 TIP3 8091 45.483 49.306 63.015 1.00 0.00 WT2 H ATOM 34642 OH2 TIP3 8092 64.064 8.845 -7.223 1.00 0.00 WT2 O ATOM 34643 H1 TIP3 8092 64.577 9.541 -6.813 1.00 0.00 WT2 H ATOM 34644 H2 TIP3 8092 63.180 9.206 -7.289 1.00 0.00 WT2 H ATOM 34645 OH2 TIP3 8093 63.205 32.592 25.584 1.00 0.00 WT2 O ATOM 34646 H1 TIP3 8093 63.337 33.044 26.417 1.00 0.00 WT2 H ATOM 34647 H2 TIP3 8093 64.083 32.320 25.316 1.00 0.00 WT2 H ATOM 34648 OH2 TIP3 8095 69.162 35.852 29.890 1.00 0.00 WT2 O ATOM 34649 H1 TIP3 8095 69.534 36.500 30.488 1.00 0.00 WT2 H ATOM 34650 H2 TIP3 8095 68.215 35.932 30.008 1.00 0.00 WT2 H ATOM 34651 OH2 TIP3 8096 31.781 62.317 -3.271 1.00 0.00 WT2 O ATOM 34652 H1 TIP3 8096 30.941 62.777 -3.255 1.00 0.00 WT2 H ATOM 34653 H2 TIP3 8096 31.737 61.712 -2.530 1.00 0.00 WT2 H ATOM 34654 OH2 TIP3 8104 59.384 36.267 24.092 1.00 0.00 WT2 O ATOM 34655 H1 TIP3 8104 59.741 35.383 24.006 1.00 0.00 WT2 H ATOM 34656 H2 TIP3 8104 58.435 36.144 24.092 1.00 0.00 WT2 H ATOM 34657 OH2 TIP3 8106 78.716 64.355 15.516 1.00 0.00 WT2 O ATOM 34658 H1 TIP3 8106 79.578 63.998 15.729 1.00 0.00 WT2 H ATOM 34659 H2 TIP3 8106 78.434 63.857 14.749 1.00 0.00 WT2 H ATOM 34660 OH2 TIP3 8107 51.015 15.128 30.345 1.00 0.00 WT2 O ATOM 34661 H1 TIP3 8107 50.598 15.926 30.670 1.00 0.00 WT2 H ATOM 34662 H2 TIP3 8107 50.661 15.014 29.463 1.00 0.00 WT2 H ATOM 34663 OH2 TIP3 8109 50.719 32.932 -15.982 1.00 0.00 WT2 O ATOM 34664 H1 TIP3 8109 50.070 33.110 -15.301 1.00 0.00 WT2 H ATOM 34665 H2 TIP3 8109 51.439 32.503 -15.521 1.00 0.00 WT2 H ATOM 34666 OH2 TIP3 8110 35.646 44.513 36.832 1.00 0.00 WT2 O ATOM 34667 H1 TIP3 8110 35.752 45.290 36.283 1.00 0.00 WT2 H ATOM 34668 H2 TIP3 8110 34.714 44.499 37.051 1.00 0.00 WT2 H ATOM 34669 OH2 TIP3 8111 75.677 25.498 13.936 1.00 0.00 WT2 O ATOM 34670 H1 TIP3 8111 75.758 25.525 14.889 1.00 0.00 WT2 H ATOM 34671 H2 TIP3 8111 76.339 26.114 13.622 1.00 0.00 WT2 H ATOM 34672 OH2 TIP3 8112 52.238 30.768 5.755 1.00 0.00 WT2 O ATOM 34673 H1 TIP3 8112 52.434 30.311 6.574 1.00 0.00 WT2 H ATOM 34674 H2 TIP3 8112 51.558 31.399 5.990 1.00 0.00 WT2 H ATOM 34675 OH2 TIP3 8113 85.472 29.475 21.541 1.00 0.00 WT2 O ATOM 34676 H1 TIP3 8113 85.296 28.921 22.301 1.00 0.00 WT2 H ATOM 34677 H2 TIP3 8113 85.252 30.360 21.833 1.00 0.00 WT2 H ATOM 34678 OH2 TIP3 8114 88.172 32.553 34.096 1.00 0.00 WT2 O ATOM 34679 H1 TIP3 8114 88.317 31.968 34.840 1.00 0.00 WT2 H ATOM 34680 H2 TIP3 8114 89.040 32.900 33.891 1.00 0.00 WT2 H ATOM 34681 OH2 TIP3 8126 78.970 66.462 -13.905 1.00 0.00 WT2 O ATOM 34682 H1 TIP3 8126 79.644 65.800 -13.746 1.00 0.00 WT2 H ATOM 34683 H2 TIP3 8126 78.476 66.126 -14.653 1.00 0.00 WT2 H ATOM 34684 OH2 TIP3 8129 58.854 59.750 54.775 1.00 0.00 WT2 O ATOM 34685 H1 TIP3 8129 59.679 59.281 54.907 1.00 0.00 WT2 H ATOM 34686 H2 TIP3 8129 59.054 60.401 54.103 1.00 0.00 WT2 H ATOM 34687 OH2 TIP3 8131 69.977 10.266 61.647 1.00 0.00 WT2 O ATOM 34688 H1 TIP3 8131 69.711 9.947 62.509 1.00 0.00 WT2 H ATOM 34689 H2 TIP3 8131 70.931 10.180 61.643 1.00 0.00 WT2 H ATOM 34690 OH2 TIP3 8135 28.783 94.580 59.795 1.00 0.00 WT2 O ATOM 34691 H1 TIP3 8135 28.695 94.987 58.933 1.00 0.00 WT2 H ATOM 34692 H2 TIP3 8135 27.911 94.650 60.184 1.00 0.00 WT2 H ATOM 34693 OH2 TIP3 8136 23.007 90.414 14.818 1.00 0.00 WT2 O ATOM 34694 H1 TIP3 8136 22.219 89.887 14.952 1.00 0.00 WT2 H ATOM 34695 H2 TIP3 8136 23.264 90.688 15.699 1.00 0.00 WT2 H ATOM 34696 OH2 TIP3 8150 74.031 84.487 -7.767 1.00 0.00 WT2 O ATOM 34697 H1 TIP3 8150 74.116 84.163 -8.664 1.00 0.00 WT2 H ATOM 34698 H2 TIP3 8150 73.923 85.433 -7.863 1.00 0.00 WT2 H ATOM 34699 OH2 TIP3 8152 52.599 49.812 57.266 1.00 0.00 WT2 O ATOM 34700 H1 TIP3 8152 53.156 49.687 56.497 1.00 0.00 WT2 H ATOM 34701 H2 TIP3 8152 52.303 50.720 57.203 1.00 0.00 WT2 H ATOM 34702 OH2 TIP3 8154 26.979 32.028 30.486 1.00 0.00 WT2 O ATOM 34703 H1 TIP3 8154 27.087 32.871 30.927 1.00 0.00 WT2 H ATOM 34704 H2 TIP3 8154 26.470 32.230 29.702 1.00 0.00 WT2 H ATOM 34705 OH2 TIP3 8155 32.909 84.649 55.548 1.00 0.00 WT2 O ATOM 34706 H1 TIP3 8155 33.752 84.375 55.187 1.00 0.00 WT2 H ATOM 34707 H2 TIP3 8155 32.466 85.084 54.820 1.00 0.00 WT2 H ATOM 34708 OH2 TIP3 8157 85.305 91.176 -7.794 1.00 0.00 WT2 O ATOM 34709 H1 TIP3 8157 86.080 91.375 -8.319 1.00 0.00 WT2 H ATOM 34710 H2 TIP3 8157 85.512 91.515 -6.923 1.00 0.00 WT2 H ATOM 34711 OH2 TIP3 8159 30.659 86.321 9.337 1.00 0.00 WT2 O ATOM 34712 H1 TIP3 8159 29.959 85.886 9.826 1.00 0.00 WT2 H ATOM 34713 H2 TIP3 8159 30.467 87.255 9.423 1.00 0.00 WT2 H ATOM 34714 OH2 TIP3 8169 82.579 67.987 4.388 1.00 0.00 WT2 O ATOM 34715 H1 TIP3 8169 83.369 68.113 3.862 1.00 0.00 WT2 H ATOM 34716 H2 TIP3 8169 82.875 67.488 5.149 1.00 0.00 WT2 H ATOM 34717 OH2 TIP3 8171 42.259 59.605 -9.588 1.00 0.00 WT2 O ATOM 34718 H1 TIP3 8171 42.347 60.194 -8.838 1.00 0.00 WT2 H ATOM 34719 H2 TIP3 8171 41.518 59.041 -9.364 1.00 0.00 WT2 H ATOM 34720 OH2 TIP3 8173 52.312 42.235 44.524 1.00 0.00 WT2 O ATOM 34721 H1 TIP3 8173 52.317 42.828 43.772 1.00 0.00 WT2 H ATOM 34722 H2 TIP3 8173 52.845 41.490 44.246 1.00 0.00 WT2 H ATOM 34723 OH2 TIP3 8174 36.769 44.822 63.014 1.00 0.00 WT2 O ATOM 34724 H1 TIP3 8174 37.063 43.941 63.243 1.00 0.00 WT2 H ATOM 34725 H2 TIP3 8174 35.949 44.934 63.495 1.00 0.00 WT2 H ATOM 34726 OH2 TIP3 8178 35.923 35.411 8.050 1.00 0.00 WT2 O ATOM 34727 H1 TIP3 8178 35.588 34.645 8.517 1.00 0.00 WT2 H ATOM 34728 H2 TIP3 8178 36.019 36.081 8.727 1.00 0.00 WT2 H ATOM 34729 OH2 TIP3 8181 82.456 7.216 61.820 1.00 0.00 WT2 O ATOM 34730 H1 TIP3 8181 81.516 7.046 61.891 1.00 0.00 WT2 H ATOM 34731 H2 TIP3 8181 82.869 6.404 62.116 1.00 0.00 WT2 H ATOM 34732 OH2 TIP3 8192 26.944 32.856 37.161 1.00 0.00 WT2 O ATOM 34733 H1 TIP3 8192 27.872 32.979 36.958 1.00 0.00 WT2 H ATOM 34734 H2 TIP3 8192 26.532 33.682 36.910 1.00 0.00 WT2 H ATOM 34735 OH2 TIP3 8193 43.450 1.897 43.282 1.00 0.00 WT2 O ATOM 34736 H1 TIP3 8193 44.241 2.436 43.315 1.00 0.00 WT2 H ATOM 34737 H2 TIP3 8193 43.712 1.117 42.793 1.00 0.00 WT2 H ATOM 34738 OH2 TIP3 8194 66.973 22.202 50.114 1.00 0.00 WT2 O ATOM 34739 H1 TIP3 8194 66.983 23.018 49.613 1.00 0.00 WT2 H ATOM 34740 H2 TIP3 8194 66.257 21.694 49.732 1.00 0.00 WT2 H ATOM 34741 OH2 TIP3 8196 58.845 33.782 62.013 1.00 0.00 WT2 O ATOM 34742 H1 TIP3 8196 58.527 34.550 61.537 1.00 0.00 WT2 H ATOM 34743 H2 TIP3 8196 59.011 33.130 61.332 1.00 0.00 WT2 H ATOM 34744 OH2 TIP3 8198 34.415 16.903 30.775 1.00 0.00 WT2 O ATOM 34745 H1 TIP3 8198 34.804 17.611 30.262 1.00 0.00 WT2 H ATOM 34746 H2 TIP3 8198 35.021 16.170 30.672 1.00 0.00 WT2 H ATOM 34747 OH2 TIP3 8200 89.657 49.920 53.303 1.00 0.00 WT2 O ATOM 34748 H1 TIP3 8200 89.911 49.085 52.910 1.00 0.00 WT2 H ATOM 34749 H2 TIP3 8200 89.909 50.578 52.655 1.00 0.00 WT2 H ATOM 34750 OH2 TIP3 8211 54.677 36.264 -8.568 1.00 0.00 WT2 O ATOM 34751 H1 TIP3 8211 54.978 36.701 -9.365 1.00 0.00 WT2 H ATOM 34752 H2 TIP3 8211 55.481 36.057 -8.090 1.00 0.00 WT2 H ATOM 34753 OH2 TIP3 8212 41.533 22.243 59.259 1.00 0.00 WT2 O ATOM 34754 H1 TIP3 8212 41.055 22.210 60.088 1.00 0.00 WT2 H ATOM 34755 H2 TIP3 8212 41.731 21.328 59.060 1.00 0.00 WT2 H ATOM 34756 OH2 TIP3 8215 30.076 43.139 52.922 1.00 0.00 WT2 O ATOM 34757 H1 TIP3 8215 29.546 43.456 52.191 1.00 0.00 WT2 H ATOM 34758 H2 TIP3 8215 29.449 42.709 53.504 1.00 0.00 WT2 H ATOM 34759 OH2 TIP3 8216 58.930 92.266 7.739 1.00 0.00 WT2 O ATOM 34760 H1 TIP3 8216 58.085 92.515 7.364 1.00 0.00 WT2 H ATOM 34761 H2 TIP3 8216 59.261 91.584 7.154 1.00 0.00 WT2 H ATOM 34762 OH2 TIP3 8218 67.809 92.536 36.189 1.00 0.00 WT2 O ATOM 34763 H1 TIP3 8218 66.992 92.885 36.545 1.00 0.00 WT2 H ATOM 34764 H2 TIP3 8218 68.240 93.292 35.791 1.00 0.00 WT2 H ATOM 34765 OH2 TIP3 8219 64.832 47.676 3.511 1.00 0.00 WT2 O ATOM 34766 H1 TIP3 8219 64.279 47.132 4.072 1.00 0.00 WT2 H ATOM 34767 H2 TIP3 8219 64.234 48.021 2.848 1.00 0.00 WT2 H ATOM 34768 OH2 TIP3 8231 51.054 1.644 61.282 1.00 0.00 WT2 O ATOM 34769 H1 TIP3 8231 50.394 2.317 61.119 1.00 0.00 WT2 H ATOM 34770 H2 TIP3 8231 51.853 1.990 60.884 1.00 0.00 WT2 H ATOM 34771 OH2 TIP3 8233 37.755 84.992 -0.131 1.00 0.00 WT2 O ATOM 34772 H1 TIP3 8233 38.672 84.731 -0.048 1.00 0.00 WT2 H ATOM 34773 H2 TIP3 8233 37.679 85.322 -1.026 1.00 0.00 WT2 H ATOM 34774 OH2 TIP3 8234 43.763 26.107 -2.355 1.00 0.00 WT2 O ATOM 34775 H1 TIP3 8234 44.568 25.801 -1.937 1.00 0.00 WT2 H ATOM 34776 H2 TIP3 8234 44.060 26.710 -3.036 1.00 0.00 WT2 H ATOM 34777 OH2 TIP3 8235 30.513 92.585 42.017 1.00 0.00 WT2 O ATOM 34778 H1 TIP3 8235 29.833 92.891 41.416 1.00 0.00 WT2 H ATOM 34779 H2 TIP3 8235 30.398 91.635 42.045 1.00 0.00 WT2 H ATOM 34780 OH2 TIP3 8239 74.029 69.370 -13.435 1.00 0.00 WT2 O ATOM 34781 H1 TIP3 8239 73.820 69.438 -12.503 1.00 0.00 WT2 H ATOM 34782 H2 TIP3 8239 74.861 69.834 -13.528 1.00 0.00 WT2 H ATOM 34783 OH2 TIP3 8240 29.291 74.990 1.620 1.00 0.00 WT2 O ATOM 34784 H1 TIP3 8240 29.805 74.196 1.475 1.00 0.00 WT2 H ATOM 34785 H2 TIP3 8240 29.649 75.364 2.425 1.00 0.00 WT2 H ATOM 34786 OH2 TIP3 8242 34.973 23.980 33.866 1.00 0.00 WT2 O ATOM 34787 H1 TIP3 8242 34.559 24.289 34.671 1.00 0.00 WT2 H ATOM 34788 H2 TIP3 8242 35.785 24.483 33.805 1.00 0.00 WT2 H ATOM 34789 OH2 TIP3 8256 69.800 33.440 52.310 1.00 0.00 WT2 O ATOM 34790 H1 TIP3 8256 70.306 33.911 51.648 1.00 0.00 WT2 H ATOM 34791 H2 TIP3 8256 69.132 32.970 51.812 1.00 0.00 WT2 H ATOM 34792 OH2 TIP3 8257 78.552 10.826 -3.279 1.00 0.00 WT2 O ATOM 34793 H1 TIP3 8257 79.112 11.229 -3.942 1.00 0.00 WT2 H ATOM 34794 H2 TIP3 8257 78.344 11.538 -2.674 1.00 0.00 WT2 H ATOM 34795 OH2 TIP3 8258 52.443 1.010 28.892 1.00 0.00 WT2 O ATOM 34796 H1 TIP3 8258 51.812 1.175 28.191 1.00 0.00 WT2 H ATOM 34797 H2 TIP3 8258 53.286 0.941 28.444 1.00 0.00 WT2 H ATOM 34798 OH2 TIP3 8259 82.592 72.727 59.986 1.00 0.00 WT2 O ATOM 34799 H1 TIP3 8259 83.288 73.312 59.686 1.00 0.00 WT2 H ATOM 34800 H2 TIP3 8259 82.527 72.060 59.302 1.00 0.00 WT2 H ATOM 34801 OH2 TIP3 8260 37.524 39.479 17.015 1.00 0.00 WT2 O ATOM 34802 H1 TIP3 8260 37.965 38.629 17.012 1.00 0.00 WT2 H ATOM 34803 H2 TIP3 8260 38.168 40.082 17.386 1.00 0.00 WT2 H ATOM 34804 OH2 TIP3 8276 55.822 24.772 22.966 1.00 0.00 WT2 O ATOM 34805 H1 TIP3 8276 55.701 25.591 22.485 1.00 0.00 WT2 H ATOM 34806 H2 TIP3 8276 55.262 24.862 23.736 1.00 0.00 WT2 H ATOM 34807 OH2 TIP3 8277 67.234 68.552 -12.795 1.00 0.00 WT2 O ATOM 34808 H1 TIP3 8277 67.511 69.234 -12.183 1.00 0.00 WT2 H ATOM 34809 H2 TIP3 8277 67.586 68.831 -13.641 1.00 0.00 WT2 H ATOM 34810 OH2 TIP3 8278 82.566 86.844 14.309 1.00 0.00 WT2 O ATOM 34811 H1 TIP3 8278 81.956 87.120 14.993 1.00 0.00 WT2 H ATOM 34812 H2 TIP3 8278 83.307 86.470 14.785 1.00 0.00 WT2 H ATOM 34813 OH2 TIP3 8279 58.205 24.404 -3.633 1.00 0.00 WT2 O ATOM 34814 H1 TIP3 8279 57.624 25.074 -3.272 1.00 0.00 WT2 H ATOM 34815 H2 TIP3 8279 58.299 23.764 -2.928 1.00 0.00 WT2 H ATOM 34816 OH2 TIP3 8280 67.950 14.127 -6.670 1.00 0.00 WT2 O ATOM 34817 H1 TIP3 8280 67.530 13.737 -7.437 1.00 0.00 WT2 H ATOM 34818 H2 TIP3 8280 68.200 15.006 -6.954 1.00 0.00 WT2 H ATOM 34819 OH2 TIP3 8281 63.727 40.019 57.014 1.00 0.00 WT2 O ATOM 34820 H1 TIP3 8281 64.115 40.038 56.139 1.00 0.00 WT2 H ATOM 34821 H2 TIP3 8281 63.464 39.108 57.141 1.00 0.00 WT2 H ATOM 34822 OH2 TIP3 8297 59.417 48.671 -13.039 1.00 0.00 WT2 O ATOM 34823 H1 TIP3 8297 59.914 48.120 -12.434 1.00 0.00 WT2 H ATOM 34824 H2 TIP3 8297 58.527 48.321 -13.006 1.00 0.00 WT2 H ATOM 34825 OH2 TIP3 8300 63.232 90.284 40.485 1.00 0.00 WT2 O ATOM 34826 H1 TIP3 8300 62.945 90.116 39.588 1.00 0.00 WT2 H ATOM 34827 H2 TIP3 8300 64.159 90.508 40.403 1.00 0.00 WT2 H ATOM 34828 OH2 TIP3 8301 68.391 52.226 66.129 1.00 0.00 WT2 O ATOM 34829 H1 TIP3 8301 67.703 52.808 65.806 1.00 0.00 WT2 H ATOM 34830 H2 TIP3 8301 68.675 52.623 66.952 1.00 0.00 WT2 H ATOM 34831 OH2 TIP3 8302 45.144 36.035 45.410 1.00 0.00 WT2 O ATOM 34832 H1 TIP3 8302 45.888 36.568 45.129 1.00 0.00 WT2 H ATOM 34833 H2 TIP3 8302 44.477 36.672 45.668 1.00 0.00 WT2 H ATOM 34834 OH2 TIP3 8305 49.983 8.122 10.810 1.00 0.00 WT2 O ATOM 34835 H1 TIP3 8305 49.798 8.750 11.509 1.00 0.00 WT2 H ATOM 34836 H2 TIP3 8305 50.073 7.282 11.259 1.00 0.00 WT2 H ATOM 34837 OH2 TIP3 8315 35.761 35.404 -2.893 1.00 0.00 WT2 O ATOM 34838 H1 TIP3 8315 35.029 35.013 -2.416 1.00 0.00 WT2 H ATOM 34839 H2 TIP3 8315 35.467 35.429 -3.804 1.00 0.00 WT2 H ATOM 34840 OH2 TIP3 8317 60.627 67.241 -5.208 1.00 0.00 WT2 O ATOM 34841 H1 TIP3 8317 59.952 67.786 -4.803 1.00 0.00 WT2 H ATOM 34842 H2 TIP3 8317 60.789 66.547 -4.569 1.00 0.00 WT2 H ATOM 34843 OH2 TIP3 8319 78.839 32.809 26.905 1.00 0.00 WT2 O ATOM 34844 H1 TIP3 8319 79.501 33.501 26.896 1.00 0.00 WT2 H ATOM 34845 H2 TIP3 8319 78.018 33.260 26.710 1.00 0.00 WT2 H ATOM 34846 OH2 TIP3 8322 31.157 70.846 59.606 1.00 0.00 WT2 O ATOM 34847 H1 TIP3 8322 31.565 71.411 58.950 1.00 0.00 WT2 H ATOM 34848 H2 TIP3 8322 30.748 70.145 59.098 1.00 0.00 WT2 H ATOM 34849 OH2 TIP3 8323 57.272 49.566 47.961 1.00 0.00 WT2 O ATOM 34850 H1 TIP3 8323 56.877 48.994 48.619 1.00 0.00 WT2 H ATOM 34851 H2 TIP3 8323 58.192 49.627 48.219 1.00 0.00 WT2 H ATOM 34852 OH2 TIP3 8324 72.751 17.283 53.070 1.00 0.00 WT2 O ATOM 34853 H1 TIP3 8324 72.787 18.018 52.458 1.00 0.00 WT2 H ATOM 34854 H2 TIP3 8324 73.260 17.577 53.827 1.00 0.00 WT2 H ATOM 34855 OH2 TIP3 8325 58.334 61.347 -4.473 1.00 0.00 WT2 O ATOM 34856 H1 TIP3 8325 58.286 62.115 -5.044 1.00 0.00 WT2 H ATOM 34857 H2 TIP3 8325 57.433 61.029 -4.423 1.00 0.00 WT2 H ATOM 34858 OH2 TIP3 8338 29.197 62.611 2.849 1.00 0.00 WT2 O ATOM 34859 H1 TIP3 8338 29.865 62.040 3.226 1.00 0.00 WT2 H ATOM 34860 H2 TIP3 8338 28.490 62.613 3.495 1.00 0.00 WT2 H ATOM 34861 OH2 TIP3 8339 43.049 0.480 55.530 1.00 0.00 WT2 O ATOM 34862 H1 TIP3 8339 43.247 0.401 54.597 1.00 0.00 WT2 H ATOM 34863 H2 TIP3 8339 43.447 1.310 55.791 1.00 0.00 WT2 H ATOM 34864 OH2 TIP3 8344 90.408 90.090 7.256 1.00 0.00 WT2 O ATOM 34865 H1 TIP3 8344 90.239 91.030 7.196 1.00 0.00 WT2 H ATOM 34866 H2 TIP3 8344 90.258 89.877 8.177 1.00 0.00 WT2 H ATOM 34867 OH2 TIP3 8345 24.661 16.347 -1.299 1.00 0.00 WT2 O ATOM 34868 H1 TIP3 8345 24.661 17.231 -1.667 1.00 0.00 WT2 H ATOM 34869 H2 TIP3 8345 23.932 16.346 -0.678 1.00 0.00 WT2 H ATOM 34870 OH2 TIP3 8347 64.685 26.008 36.602 1.00 0.00 WT2 O ATOM 34871 H1 TIP3 8347 65.231 25.418 37.122 1.00 0.00 WT2 H ATOM 34872 H2 TIP3 8347 65.092 26.009 35.735 1.00 0.00 WT2 H ATOM 34873 OH2 TIP3 8362 73.069 0.622 37.812 1.00 0.00 WT2 O ATOM 34874 H1 TIP3 8362 72.712 1.474 37.561 1.00 0.00 WT2 H ATOM 34875 H2 TIP3 8362 73.153 0.668 38.765 1.00 0.00 WT2 H ATOM 34876 OH2 TIP3 8363 75.089 68.195 -8.962 1.00 0.00 WT2 O ATOM 34877 H1 TIP3 8363 75.958 67.876 -9.206 1.00 0.00 WT2 H ATOM 34878 H2 TIP3 8363 74.787 67.581 -8.292 1.00 0.00 WT2 H ATOM 34879 OH2 TIP3 8364 71.819 63.129 15.917 1.00 0.00 WT2 O ATOM 34880 H1 TIP3 8364 71.399 62.821 15.113 1.00 0.00 WT2 H ATOM 34881 H2 TIP3 8364 72.157 62.334 16.331 1.00 0.00 WT2 H ATOM 34882 OH2 TIP3 8365 69.159 77.399 15.657 1.00 0.00 WT2 O ATOM 34883 H1 TIP3 8365 69.953 77.204 15.159 1.00 0.00 WT2 H ATOM 34884 H2 TIP3 8365 68.478 77.501 14.992 1.00 0.00 WT2 H ATOM 34885 OH2 TIP3 8366 71.543 84.717 66.634 1.00 0.00 WT2 O ATOM 34886 H1 TIP3 8366 70.962 84.274 67.253 1.00 0.00 WT2 H ATOM 34887 H2 TIP3 8366 72.178 84.046 66.380 1.00 0.00 WT2 H ATOM 34888 OH2 TIP3 8367 69.182 77.500 22.675 1.00 0.00 WT2 O ATOM 34889 H1 TIP3 8367 68.837 77.153 21.853 1.00 0.00 WT2 H ATOM 34890 H2 TIP3 8367 70.009 77.034 22.804 1.00 0.00 WT2 H ATOM 34891 OH2 TIP3 8377 67.442 83.916 11.556 1.00 0.00 WT2 O ATOM 34892 H1 TIP3 8377 66.722 83.925 10.925 1.00 0.00 WT2 H ATOM 34893 H2 TIP3 8377 68.036 84.602 11.252 1.00 0.00 WT2 H ATOM 34894 OH2 TIP3 8378 45.122 34.424 9.336 1.00 0.00 WT2 O ATOM 34895 H1 TIP3 8378 45.078 34.149 10.252 1.00 0.00 WT2 H ATOM 34896 H2 TIP3 8378 45.654 35.219 9.349 1.00 0.00 WT2 H ATOM 34897 OH2 TIP3 8379 30.852 27.605 2.172 1.00 0.00 WT2 O ATOM 34898 H1 TIP3 8379 30.295 28.343 2.419 1.00 0.00 WT2 H ATOM 34899 H2 TIP3 8379 30.586 26.897 2.759 1.00 0.00 WT2 H ATOM 34900 OH2 TIP3 8380 75.311 31.828 58.320 1.00 0.00 WT2 O ATOM 34901 H1 TIP3 8380 74.601 31.668 58.943 1.00 0.00 WT2 H ATOM 34902 H2 TIP3 8380 75.125 31.239 57.588 1.00 0.00 WT2 H ATOM 34903 OH2 TIP3 8381 81.915 23.008 33.338 1.00 0.00 WT2 O ATOM 34904 H1 TIP3 8381 82.595 22.342 33.432 1.00 0.00 WT2 H ATOM 34905 H2 TIP3 8381 82.178 23.512 32.567 1.00 0.00 WT2 H ATOM 34906 OH2 TIP3 8382 40.701 23.149 -10.362 1.00 0.00 WT2 O ATOM 34907 H1 TIP3 8382 41.244 23.846 -10.730 1.00 0.00 WT2 H ATOM 34908 H2 TIP3 8382 41.083 22.976 -9.501 1.00 0.00 WT2 H ATOM 34909 OH2 TIP3 8383 61.265 58.113 -0.869 1.00 0.00 WT2 O ATOM 34910 H1 TIP3 8383 61.025 57.354 -0.336 1.00 0.00 WT2 H ATOM 34911 H2 TIP3 8383 60.595 58.767 -0.670 1.00 0.00 WT2 H ATOM 34912 OH2 TIP3 8384 55.172 14.958 32.853 1.00 0.00 WT2 O ATOM 34913 H1 TIP3 8384 55.850 15.518 32.474 1.00 0.00 WT2 H ATOM 34914 H2 TIP3 8384 54.353 15.294 32.491 1.00 0.00 WT2 H ATOM 34915 OH2 TIP3 8385 74.574 45.366 0.080 1.00 0.00 WT2 O ATOM 34916 H1 TIP3 8385 74.750 45.408 1.020 1.00 0.00 WT2 H ATOM 34917 H2 TIP3 8385 73.881 46.011 -0.063 1.00 0.00 WT2 H ATOM 34918 OH2 TIP3 8386 79.479 23.110 -4.764 1.00 0.00 WT2 O ATOM 34919 H1 TIP3 8386 79.592 23.827 -4.140 1.00 0.00 WT2 H ATOM 34920 H2 TIP3 8386 80.168 23.247 -5.415 1.00 0.00 WT2 H ATOM 34921 OH2 TIP3 8388 38.711 24.306 2.811 1.00 0.00 WT2 O ATOM 34922 H1 TIP3 8388 37.805 24.479 2.555 1.00 0.00 WT2 H ATOM 34923 H2 TIP3 8388 39.190 25.089 2.541 1.00 0.00 WT2 H ATOM 34924 OH2 TIP3 8389 65.312 27.321 -12.998 1.00 0.00 WT2 O ATOM 34925 H1 TIP3 8389 65.422 26.521 -12.484 1.00 0.00 WT2 H ATOM 34926 H2 TIP3 8389 65.239 28.017 -12.346 1.00 0.00 WT2 H ATOM 34927 OH2 TIP3 8390 82.802 78.133 23.418 1.00 0.00 WT2 O ATOM 34928 H1 TIP3 8390 82.977 77.260 23.066 1.00 0.00 WT2 H ATOM 34929 H2 TIP3 8390 82.498 77.975 24.311 1.00 0.00 WT2 H ATOM 34930 OH2 TIP3 8403 38.078 80.098 59.101 1.00 0.00 WT2 O ATOM 34931 H1 TIP3 8403 38.539 80.739 58.560 1.00 0.00 WT2 H ATOM 34932 H2 TIP3 8403 37.159 80.185 58.846 1.00 0.00 WT2 H ATOM 34933 OH2 TIP3 8405 37.309 79.344 30.634 1.00 0.00 WT2 O ATOM 34934 H1 TIP3 8405 38.237 79.118 30.704 1.00 0.00 WT2 H ATOM 34935 H2 TIP3 8405 36.964 79.217 31.518 1.00 0.00 WT2 H ATOM 34936 OH2 TIP3 8411 23.925 16.696 53.431 1.00 0.00 WT2 O ATOM 34937 H1 TIP3 8411 23.103 16.595 53.911 1.00 0.00 WT2 H ATOM 34938 H2 TIP3 8411 24.301 17.509 53.768 1.00 0.00 WT2 H ATOM 34939 OH2 TIP3 8425 50.376 96.350 62.688 1.00 0.00 WT2 O ATOM 34940 H1 TIP3 8425 50.716 97.129 62.248 1.00 0.00 WT2 H ATOM 34941 H2 TIP3 8425 49.458 96.556 62.865 1.00 0.00 WT2 H ATOM 34942 OH2 TIP3 8427 60.858 20.556 -12.027 1.00 0.00 WT2 O ATOM 34943 H1 TIP3 8427 60.195 21.144 -12.388 1.00 0.00 WT2 H ATOM 34944 H2 TIP3 8427 61.157 20.992 -11.230 1.00 0.00 WT2 H ATOM 34945 OH2 TIP3 8428 70.675 61.167 25.846 1.00 0.00 WT2 O ATOM 34946 H1 TIP3 8428 70.490 61.917 25.281 1.00 0.00 WT2 H ATOM 34947 H2 TIP3 8428 69.822 60.755 25.986 1.00 0.00 WT2 H ATOM 34948 OH2 TIP3 8431 82.671 52.471 29.394 1.00 0.00 WT2 O ATOM 34949 H1 TIP3 8431 82.935 51.614 29.730 1.00 0.00 WT2 H ATOM 34950 H2 TIP3 8431 82.460 52.980 30.177 1.00 0.00 WT2 H ATOM 34951 OH2 TIP3 8441 61.865 43.317 48.975 1.00 0.00 WT2 O ATOM 34952 H1 TIP3 8441 61.168 43.830 49.383 1.00 0.00 WT2 H ATOM 34953 H2 TIP3 8441 61.637 43.299 48.045 1.00 0.00 WT2 H ATOM 34954 OH2 TIP3 8442 89.724 7.836 33.618 1.00 0.00 WT2 O ATOM 34955 H1 TIP3 8442 89.289 8.667 33.426 1.00 0.00 WT2 H ATOM 34956 H2 TIP3 8442 90.223 7.637 32.826 1.00 0.00 WT2 H ATOM 34957 OH2 TIP3 8444 76.769 11.678 65.934 1.00 0.00 WT2 O ATOM 34958 H1 TIP3 8444 76.543 11.120 66.678 1.00 0.00 WT2 H ATOM 34959 H2 TIP3 8444 77.475 12.238 66.259 1.00 0.00 WT2 H ATOM 34960 OH2 TIP3 8445 30.916 65.997 47.624 1.00 0.00 WT2 O ATOM 34961 H1 TIP3 8445 31.743 66.345 47.956 1.00 0.00 WT2 H ATOM 34962 H2 TIP3 8445 31.125 65.680 46.745 1.00 0.00 WT2 H ATOM 34963 OH2 TIP3 8446 27.879 2.352 66.661 1.00 0.00 WT2 O ATOM 34964 H1 TIP3 8446 27.767 1.591 67.229 1.00 0.00 WT2 H ATOM 34965 H2 TIP3 8446 28.828 2.452 66.579 1.00 0.00 WT2 H ATOM 34966 OH2 TIP3 8449 41.703 16.900 22.073 1.00 0.00 WT2 O ATOM 34967 H1 TIP3 8449 41.886 17.373 21.261 1.00 0.00 WT2 H ATOM 34968 H2 TIP3 8449 42.283 17.299 22.720 1.00 0.00 WT2 H ATOM 34969 OH2 TIP3 8455 34.700 93.884 53.258 1.00 0.00 WT2 O ATOM 34970 H1 TIP3 8455 33.843 94.283 53.108 1.00 0.00 WT2 H ATOM 34971 H2 TIP3 8455 34.814 93.910 54.208 1.00 0.00 WT2 H ATOM 34972 OH2 TIP3 8462 48.524 29.076 46.595 1.00 0.00 WT2 O ATOM 34973 H1 TIP3 8462 48.756 28.917 45.680 1.00 0.00 WT2 H ATOM 34974 H2 TIP3 8462 48.794 29.980 46.757 1.00 0.00 WT2 H ATOM 34975 OH2 TIP3 8463 82.398 13.274 -20.082 1.00 0.00 WT2 O ATOM 34976 H1 TIP3 8463 81.976 12.464 -19.797 1.00 0.00 WT2 H ATOM 34977 H2 TIP3 8463 82.318 13.863 -19.332 1.00 0.00 WT2 H ATOM 34978 OH2 TIP3 8465 29.338 21.388 49.921 1.00 0.00 WT2 O ATOM 34979 H1 TIP3 8465 28.708 20.698 50.130 1.00 0.00 WT2 H ATOM 34980 H2 TIP3 8465 28.810 22.183 49.856 1.00 0.00 WT2 H ATOM 34981 OH2 TIP3 8466 82.747 4.805 63.088 1.00 0.00 WT2 O ATOM 34982 H1 TIP3 8466 82.215 5.138 63.811 1.00 0.00 WT2 H ATOM 34983 H2 TIP3 8466 83.623 5.153 63.255 1.00 0.00 WT2 H ATOM 34984 OH2 TIP3 8468 58.327 53.697 -4.792 1.00 0.00 WT2 O ATOM 34985 H1 TIP3 8468 58.771 54.543 -4.741 1.00 0.00 WT2 H ATOM 34986 H2 TIP3 8468 57.696 53.713 -4.071 1.00 0.00 WT2 H ATOM 34987 OH2 TIP3 8471 44.401 64.661 -11.848 1.00 0.00 WT2 O ATOM 34988 H1 TIP3 8471 44.785 65.423 -12.280 1.00 0.00 WT2 H ATOM 34989 H2 TIP3 8471 43.771 65.029 -11.227 1.00 0.00 WT2 H ATOM 34990 OH2 TIP3 8486 68.210 21.623 -2.917 1.00 0.00 WT2 O ATOM 34991 H1 TIP3 8486 69.123 21.902 -2.845 1.00 0.00 WT2 H ATOM 34992 H2 TIP3 8486 67.746 22.148 -2.266 1.00 0.00 WT2 H ATOM 34993 OH2 TIP3 8487 51.058 15.484 -2.524 1.00 0.00 WT2 O ATOM 34994 H1 TIP3 8487 51.876 15.523 -2.028 1.00 0.00 WT2 H ATOM 34995 H2 TIP3 8487 50.447 16.021 -2.021 1.00 0.00 WT2 H ATOM 34996 OH2 TIP3 8488 50.188 50.737 45.784 1.00 0.00 WT2 O ATOM 34997 H1 TIP3 8488 50.828 51.400 45.526 1.00 0.00 WT2 H ATOM 34998 H2 TIP3 8488 50.450 49.951 45.305 1.00 0.00 WT2 H ATOM 34999 OH2 TIP3 8489 85.442 1.968 -1.583 1.00 0.00 WT2 O ATOM 35000 H1 TIP3 8489 86.327 1.843 -1.926 1.00 0.00 WT2 H ATOM 35001 H2 TIP3 8489 85.329 2.918 -1.549 1.00 0.00 WT2 H ATOM 35002 OH2 TIP3 8490 63.423 92.749 -9.544 1.00 0.00 WT2 O ATOM 35003 H1 TIP3 8490 62.958 92.982 -8.741 1.00 0.00 WT2 H ATOM 35004 H2 TIP3 8490 63.022 93.295 -10.221 1.00 0.00 WT2 H ATOM 35005 OH2 TIP3 8493 70.179 58.120 -8.650 1.00 0.00 WT2 O ATOM 35006 H1 TIP3 8493 70.685 57.354 -8.380 1.00 0.00 WT2 H ATOM 35007 H2 TIP3 8493 70.820 58.700 -9.060 1.00 0.00 WT2 H ATOM 35008 OH2 TIP3 8504 88.955 57.537 -5.187 1.00 0.00 WT2 O ATOM 35009 H1 TIP3 8504 89.286 58.195 -4.575 1.00 0.00 WT2 H ATOM 35010 H2 TIP3 8504 89.329 57.786 -6.032 1.00 0.00 WT2 H ATOM 35011 OH2 TIP3 8505 49.116 45.638 -4.480 1.00 0.00 WT2 O ATOM 35012 H1 TIP3 8505 48.318 45.950 -4.909 1.00 0.00 WT2 H ATOM 35013 H2 TIP3 8505 49.743 46.351 -4.593 1.00 0.00 WT2 H ATOM 35014 OH2 TIP3 8506 53.979 47.254 1.874 1.00 0.00 WT2 O ATOM 35015 H1 TIP3 8506 54.199 47.822 2.612 1.00 0.00 WT2 H ATOM 35016 H2 TIP3 8506 53.954 46.373 2.248 1.00 0.00 WT2 H ATOM 35017 OH2 TIP3 8507 41.465 39.202 66.108 1.00 0.00 WT2 O ATOM 35018 H1 TIP3 8507 41.578 39.892 66.762 1.00 0.00 WT2 H ATOM 35019 H2 TIP3 8507 41.842 39.565 65.307 1.00 0.00 WT2 H ATOM 35020 OH2 TIP3 8508 42.844 39.019 38.769 1.00 0.00 WT2 O ATOM 35021 H1 TIP3 8508 43.578 38.496 38.447 1.00 0.00 WT2 H ATOM 35022 H2 TIP3 8508 42.413 39.342 37.977 1.00 0.00 WT2 H ATOM 35023 OH2 TIP3 8509 32.617 79.848 39.569 1.00 0.00 WT2 O ATOM 35024 H1 TIP3 8509 32.767 78.962 39.898 1.00 0.00 WT2 H ATOM 35025 H2 TIP3 8509 31.699 80.027 39.772 1.00 0.00 WT2 H ATOM 35026 OH2 TIP3 8513 51.600 11.305 -10.808 1.00 0.00 WT2 O ATOM 35027 H1 TIP3 8513 50.992 12.003 -10.567 1.00 0.00 WT2 H ATOM 35028 H2 TIP3 8513 51.101 10.746 -11.403 1.00 0.00 WT2 H ATOM 35029 OH2 TIP3 8515 52.798 95.827 42.194 1.00 0.00 WT2 O ATOM 35030 H1 TIP3 8515 51.847 95.876 42.097 1.00 0.00 WT2 H ATOM 35031 H2 TIP3 8515 53.134 95.873 41.299 1.00 0.00 WT2 H ATOM 35032 OH2 TIP3 8516 54.658 8.482 -12.706 1.00 0.00 WT2 O ATOM 35033 H1 TIP3 8516 55.552 8.150 -12.786 1.00 0.00 WT2 H ATOM 35034 H2 TIP3 8516 54.441 8.802 -13.581 1.00 0.00 WT2 H ATOM 35035 OH2 TIP3 8528 74.216 39.189 23.585 1.00 0.00 WT2 O ATOM 35036 H1 TIP3 8528 73.991 40.107 23.432 1.00 0.00 WT2 H ATOM 35037 H2 TIP3 8528 73.407 38.711 23.404 1.00 0.00 WT2 H ATOM 35038 OH2 TIP3 8529 79.735 38.321 56.639 1.00 0.00 WT2 O ATOM 35039 H1 TIP3 8529 80.433 38.571 56.034 1.00 0.00 WT2 H ATOM 35040 H2 TIP3 8529 79.045 38.967 56.489 1.00 0.00 WT2 H ATOM 35041 OH2 TIP3 8530 78.349 72.278 0.525 1.00 0.00 WT2 O ATOM 35042 H1 TIP3 8530 78.100 71.554 1.100 1.00 0.00 WT2 H ATOM 35043 H2 TIP3 8530 77.590 72.403 -0.045 1.00 0.00 WT2 H ATOM 35044 OH2 TIP3 8531 37.164 54.963 -10.612 1.00 0.00 WT2 O ATOM 35045 H1 TIP3 8531 38.120 54.984 -10.588 1.00 0.00 WT2 H ATOM 35046 H2 TIP3 8531 36.898 55.856 -10.394 1.00 0.00 WT2 H ATOM 35047 OH2 TIP3 8532 76.343 47.306 -13.161 1.00 0.00 WT2 O ATOM 35048 H1 TIP3 8532 75.758 47.817 -12.602 1.00 0.00 WT2 H ATOM 35049 H2 TIP3 8532 76.494 46.496 -12.673 1.00 0.00 WT2 H ATOM 35050 OH2 TIP3 8533 57.649 23.578 25.062 1.00 0.00 WT2 O ATOM 35051 H1 TIP3 8533 56.897 23.508 24.474 1.00 0.00 WT2 H ATOM 35052 H2 TIP3 8533 58.093 24.381 24.789 1.00 0.00 WT2 H ATOM 35053 OH2 TIP3 8534 25.365 88.784 57.184 1.00 0.00 WT2 O ATOM 35054 H1 TIP3 8534 24.786 88.913 56.432 1.00 0.00 WT2 H ATOM 35055 H2 TIP3 8534 24.815 88.359 57.841 1.00 0.00 WT2 H ATOM 35056 OH2 TIP3 8535 75.167 54.371 61.441 1.00 0.00 WT2 O ATOM 35057 H1 TIP3 8535 74.897 55.070 60.846 1.00 0.00 WT2 H ATOM 35058 H2 TIP3 8535 74.449 54.300 62.070 1.00 0.00 WT2 H ATOM 35059 OH2 TIP3 8536 70.719 85.043 8.272 1.00 0.00 WT2 O ATOM 35060 H1 TIP3 8536 70.949 84.910 7.353 1.00 0.00 WT2 H ATOM 35061 H2 TIP3 8536 71.395 84.573 8.760 1.00 0.00 WT2 H ATOM 35062 OH2 TIP3 8539 68.220 58.129 -18.462 1.00 0.00 WT2 O ATOM 35063 H1 TIP3 8539 68.873 57.431 -18.412 1.00 0.00 WT2 H ATOM 35064 H2 TIP3 8539 67.490 57.740 -18.944 1.00 0.00 WT2 H ATOM 35065 OH2 TIP3 8543 61.729 42.622 55.094 1.00 0.00 WT2 O ATOM 35066 H1 TIP3 8543 61.130 42.902 55.786 1.00 0.00 WT2 H ATOM 35067 H2 TIP3 8543 62.460 43.237 55.145 1.00 0.00 WT2 H ATOM 35068 OH2 TIP3 8548 20.958 9.321 39.247 1.00 0.00 WT2 O ATOM 35069 H1 TIP3 8548 20.914 8.610 38.608 1.00 0.00 WT2 H ATOM 35070 H2 TIP3 8548 21.426 10.022 38.794 1.00 0.00 WT2 H ATOM 35071 OH2 TIP3 8549 50.326 14.369 40.050 1.00 0.00 WT2 O ATOM 35072 H1 TIP3 8549 50.668 15.200 40.378 1.00 0.00 WT2 H ATOM 35073 H2 TIP3 8549 49.375 14.475 40.074 1.00 0.00 WT2 H ATOM 35074 OH2 TIP3 8550 43.469 79.066 25.748 1.00 0.00 WT2 O ATOM 35075 H1 TIP3 8550 44.134 78.481 25.385 1.00 0.00 WT2 H ATOM 35076 H2 TIP3 8550 43.556 78.969 26.697 1.00 0.00 WT2 H ATOM 35077 OH2 TIP3 8551 31.393 0.127 39.461 1.00 0.00 WT2 O ATOM 35078 H1 TIP3 8551 32.223 -0.276 39.203 1.00 0.00 WT2 H ATOM 35079 H2 TIP3 8551 31.517 1.061 39.293 1.00 0.00 WT2 H ATOM 35080 OH2 TIP3 8553 33.790 7.489 55.365 1.00 0.00 WT2 O ATOM 35081 H1 TIP3 8553 33.895 7.334 54.427 1.00 0.00 WT2 H ATOM 35082 H2 TIP3 8553 34.318 6.808 55.781 1.00 0.00 WT2 H ATOM 35083 OH2 TIP3 8554 68.188 35.324 59.287 1.00 0.00 WT2 O ATOM 35084 H1 TIP3 8554 68.259 34.663 58.598 1.00 0.00 WT2 H ATOM 35085 H2 TIP3 8554 67.686 36.034 58.888 1.00 0.00 WT2 H ATOM 35086 OH2 TIP3 8556 33.396 25.103 36.521 1.00 0.00 WT2 O ATOM 35087 H1 TIP3 8556 33.068 25.975 36.301 1.00 0.00 WT2 H ATOM 35088 H2 TIP3 8556 33.881 25.228 37.336 1.00 0.00 WT2 H ATOM 35089 OH2 TIP3 8558 72.959 50.035 64.352 1.00 0.00 WT2 O ATOM 35090 H1 TIP3 8558 72.441 50.779 64.049 1.00 0.00 WT2 H ATOM 35091 H2 TIP3 8558 73.850 50.227 64.059 1.00 0.00 WT2 H ATOM 35092 OH2 TIP3 8571 89.836 61.904 -12.261 1.00 0.00 WT2 O ATOM 35093 H1 TIP3 8571 90.106 61.291 -12.944 1.00 0.00 WT2 H ATOM 35094 H2 TIP3 8571 89.675 62.726 -12.725 1.00 0.00 WT2 H ATOM 35095 OH2 TIP3 8572 80.678 24.626 13.934 1.00 0.00 WT2 O ATOM 35096 H1 TIP3 8572 81.050 25.498 14.069 1.00 0.00 WT2 H ATOM 35097 H2 TIP3 8572 80.849 24.162 14.753 1.00 0.00 WT2 H ATOM 35098 OH2 TIP3 8573 49.195 24.558 31.242 1.00 0.00 WT2 O ATOM 35099 H1 TIP3 8573 48.944 25.445 31.497 1.00 0.00 WT2 H ATOM 35100 H2 TIP3 8573 48.924 24.484 30.327 1.00 0.00 WT2 H ATOM 35101 OH2 TIP3 8574 51.237 24.835 38.079 1.00 0.00 WT2 O ATOM 35102 H1 TIP3 8574 50.290 24.703 38.119 1.00 0.00 WT2 H ATOM 35103 H2 TIP3 8574 51.341 25.735 37.769 1.00 0.00 WT2 H ATOM 35104 OH2 TIP3 8576 28.133 59.906 22.870 1.00 0.00 WT2 O ATOM 35105 H1 TIP3 8576 28.462 59.308 23.542 1.00 0.00 WT2 H ATOM 35106 H2 TIP3 8576 28.832 60.550 22.760 1.00 0.00 WT2 H ATOM 35107 OH2 TIP3 8589 54.037 50.942 -18.375 1.00 0.00 WT2 O ATOM 35108 H1 TIP3 8589 54.409 50.747 -17.515 1.00 0.00 WT2 H ATOM 35109 H2 TIP3 8589 53.485 50.186 -18.575 1.00 0.00 WT2 H ATOM 35110 OH2 TIP3 8590 77.303 89.551 35.351 1.00 0.00 WT2 O ATOM 35111 H1 TIP3 8590 77.284 90.117 34.579 1.00 0.00 WT2 H ATOM 35112 H2 TIP3 8590 76.628 88.894 35.183 1.00 0.00 WT2 H ATOM 35113 OH2 TIP3 8592 73.265 70.182 45.261 1.00 0.00 WT2 O ATOM 35114 H1 TIP3 8592 73.777 70.294 44.460 1.00 0.00 WT2 H ATOM 35115 H2 TIP3 8592 73.890 69.839 45.899 1.00 0.00 WT2 H ATOM 35116 OH2 TIP3 8593 86.093 36.299 38.845 1.00 0.00 WT2 O ATOM 35117 H1 TIP3 8593 86.320 35.372 38.923 1.00 0.00 WT2 H ATOM 35118 H2 TIP3 8593 85.695 36.376 37.978 1.00 0.00 WT2 H ATOM 35119 OH2 TIP3 8594 67.731 6.282 18.350 1.00 0.00 WT2 O ATOM 35120 H1 TIP3 8594 67.670 6.503 17.421 1.00 0.00 WT2 H ATOM 35121 H2 TIP3 8594 66.844 6.018 18.593 1.00 0.00 WT2 H ATOM 35122 OH2 TIP3 8611 32.995 13.939 23.271 1.00 0.00 WT2 O ATOM 35123 H1 TIP3 8611 32.621 14.704 23.709 1.00 0.00 WT2 H ATOM 35124 H2 TIP3 8611 33.434 14.295 22.499 1.00 0.00 WT2 H ATOM 35125 OH2 TIP3 8613 76.671 85.501 4.848 1.00 0.00 WT2 O ATOM 35126 H1 TIP3 8613 77.602 85.571 4.637 1.00 0.00 WT2 H ATOM 35127 H2 TIP3 8613 76.229 85.983 4.149 1.00 0.00 WT2 H ATOM 35128 OH2 TIP3 8616 71.258 64.596 1.033 1.00 0.00 WT2 O ATOM 35129 H1 TIP3 8616 70.894 65.295 1.576 1.00 0.00 WT2 H ATOM 35130 H2 TIP3 8616 71.050 63.791 1.507 1.00 0.00 WT2 H ATOM 35131 OH2 TIP3 8617 73.212 43.753 56.685 1.00 0.00 WT2 O ATOM 35132 H1 TIP3 8617 72.886 43.885 55.795 1.00 0.00 WT2 H ATOM 35133 H2 TIP3 8617 72.979 44.558 57.148 1.00 0.00 WT2 H ATOM 35134 OH2 TIP3 8618 83.128 14.618 58.875 1.00 0.00 WT2 O ATOM 35135 H1 TIP3 8618 84.028 14.296 58.918 1.00 0.00 WT2 H ATOM 35136 H2 TIP3 8618 83.113 15.186 58.104 1.00 0.00 WT2 H ATOM 35137 OH2 TIP3 8619 89.485 27.925 43.132 1.00 0.00 WT2 O ATOM 35138 H1 TIP3 8619 88.909 27.512 43.775 1.00 0.00 WT2 H ATOM 35139 H2 TIP3 8619 89.919 27.194 42.693 1.00 0.00 WT2 H ATOM 35140 OH2 TIP3 8631 81.161 42.404 53.590 1.00 0.00 WT2 O ATOM 35141 H1 TIP3 8631 81.443 42.371 52.676 1.00 0.00 WT2 H ATOM 35142 H2 TIP3 8631 80.517 43.113 53.616 1.00 0.00 WT2 H ATOM 35143 OH2 TIP3 8632 68.103 43.592 46.039 1.00 0.00 WT2 O ATOM 35144 H1 TIP3 8632 68.050 44.527 45.838 1.00 0.00 WT2 H ATOM 35145 H2 TIP3 8632 68.963 43.325 45.714 1.00 0.00 WT2 H ATOM 35146 OH2 TIP3 8633 50.823 18.782 58.214 1.00 0.00 WT2 O ATOM 35147 H1 TIP3 8633 51.451 19.400 57.838 1.00 0.00 WT2 H ATOM 35148 H2 TIP3 8633 50.025 18.908 57.700 1.00 0.00 WT2 H ATOM 35149 OH2 TIP3 8634 79.848 20.832 42.265 1.00 0.00 WT2 O ATOM 35150 H1 TIP3 8634 80.552 21.112 42.850 1.00 0.00 WT2 H ATOM 35151 H2 TIP3 8634 79.372 20.167 42.763 1.00 0.00 WT2 H ATOM 35152 OH2 TIP3 8636 61.205 50.112 55.235 1.00 0.00 WT2 O ATOM 35153 H1 TIP3 8636 60.249 50.150 55.250 1.00 0.00 WT2 H ATOM 35154 H2 TIP3 8636 61.426 49.992 54.311 1.00 0.00 WT2 H ATOM 35155 OH2 TIP3 8638 28.933 31.148 55.141 1.00 0.00 WT2 O ATOM 35156 H1 TIP3 8638 28.015 31.391 55.021 1.00 0.00 WT2 H ATOM 35157 H2 TIP3 8638 29.419 31.958 54.983 1.00 0.00 WT2 H ATOM 35158 OH2 TIP3 8640 66.811 24.900 40.461 1.00 0.00 WT2 O ATOM 35159 H1 TIP3 8640 66.162 24.611 41.103 1.00 0.00 WT2 H ATOM 35160 H2 TIP3 8640 66.449 24.632 39.617 1.00 0.00 WT2 H ATOM 35161 OH2 TIP3 8653 27.486 38.130 17.964 1.00 0.00 WT2 O ATOM 35162 H1 TIP3 8653 27.507 37.956 18.905 1.00 0.00 WT2 H ATOM 35163 H2 TIP3 8653 27.632 39.073 17.891 1.00 0.00 WT2 H ATOM 35164 OH2 TIP3 8654 71.448 55.975 -8.106 1.00 0.00 WT2 O ATOM 35165 H1 TIP3 8654 71.463 55.314 -8.798 1.00 0.00 WT2 H ATOM 35166 H2 TIP3 8654 72.331 56.343 -8.105 1.00 0.00 WT2 H ATOM 35167 OH2 TIP3 8655 88.426 71.274 33.487 1.00 0.00 WT2 O ATOM 35168 H1 TIP3 8655 88.849 70.839 32.746 1.00 0.00 WT2 H ATOM 35169 H2 TIP3 8655 88.038 72.064 33.112 1.00 0.00 WT2 H ATOM 35170 OH2 TIP3 8656 86.553 12.442 -15.375 1.00 0.00 WT2 O ATOM 35171 H1 TIP3 8656 85.759 12.670 -14.892 1.00 0.00 WT2 H ATOM 35172 H2 TIP3 8656 87.258 12.527 -14.732 1.00 0.00 WT2 H ATOM 35173 OH2 TIP3 8657 30.537 38.725 37.779 1.00 0.00 WT2 O ATOM 35174 H1 TIP3 8657 29.650 39.066 37.664 1.00 0.00 WT2 H ATOM 35175 H2 TIP3 8657 30.423 37.776 37.840 1.00 0.00 WT2 H ATOM 35176 OH2 TIP3 8659 33.926 48.108 -18.470 1.00 0.00 WT2 O ATOM 35177 H1 TIP3 8659 33.256 47.695 -19.014 1.00 0.00 WT2 H ATOM 35178 H2 TIP3 8659 34.102 47.468 -17.780 1.00 0.00 WT2 H ATOM 35179 OH2 TIP3 8660 58.290 60.864 47.378 1.00 0.00 WT2 O ATOM 35180 H1 TIP3 8660 58.339 60.731 46.432 1.00 0.00 WT2 H ATOM 35181 H2 TIP3 8660 58.513 60.011 47.752 1.00 0.00 WT2 H ATOM 35182 OH2 TIP3 8662 87.537 54.860 -2.534 1.00 0.00 WT2 O ATOM 35183 H1 TIP3 8662 88.078 54.163 -2.905 1.00 0.00 WT2 H ATOM 35184 H2 TIP3 8662 86.978 54.416 -1.897 1.00 0.00 WT2 H ATOM 35185 OH2 TIP3 8675 66.295 58.429 51.056 1.00 0.00 WT2 O ATOM 35186 H1 TIP3 8675 67.167 58.093 51.261 1.00 0.00 WT2 H ATOM 35187 H2 TIP3 8675 65.800 57.659 50.776 1.00 0.00 WT2 H ATOM 35188 OH2 TIP3 8676 70.488 87.721 -11.310 1.00 0.00 WT2 O ATOM 35189 H1 TIP3 8676 69.709 88.113 -11.704 1.00 0.00 WT2 H ATOM 35190 H2 TIP3 8676 70.259 86.799 -11.192 1.00 0.00 WT2 H ATOM 35191 OH2 TIP3 8677 31.958 61.228 -17.198 1.00 0.00 WT2 O ATOM 35192 H1 TIP3 8677 32.528 61.373 -16.442 1.00 0.00 WT2 H ATOM 35193 H2 TIP3 8677 32.018 62.039 -17.702 1.00 0.00 WT2 H ATOM 35194 OH2 TIP3 8678 51.456 34.988 -17.624 1.00 0.00 WT2 O ATOM 35195 H1 TIP3 8678 51.895 34.679 -18.417 1.00 0.00 WT2 H ATOM 35196 H2 TIP3 8678 51.242 34.190 -17.141 1.00 0.00 WT2 H ATOM 35197 OH2 TIP3 8679 23.192 46.899 43.569 1.00 0.00 WT2 O ATOM 35198 H1 TIP3 8679 22.403 46.932 44.110 1.00 0.00 WT2 H ATOM 35199 H2 TIP3 8679 23.367 47.812 43.344 1.00 0.00 WT2 H ATOM 35200 OH2 TIP3 8681 36.875 95.403 -5.301 1.00 0.00 WT2 O ATOM 35201 H1 TIP3 8681 36.937 95.313 -6.252 1.00 0.00 WT2 H ATOM 35202 H2 TIP3 8681 35.969 95.169 -5.097 1.00 0.00 WT2 H ATOM 35203 OH2 TIP3 8682 40.034 30.067 0.279 1.00 0.00 WT2 O ATOM 35204 H1 TIP3 8682 40.767 30.038 -0.337 1.00 0.00 WT2 H ATOM 35205 H2 TIP3 8682 40.244 29.401 0.933 1.00 0.00 WT2 H ATOM 35206 OH2 TIP3 8683 24.406 10.567 41.566 1.00 0.00 WT2 O ATOM 35207 H1 TIP3 8683 25.193 11.084 41.391 1.00 0.00 WT2 H ATOM 35208 H2 TIP3 8683 24.366 9.939 40.844 1.00 0.00 WT2 H ATOM 35209 OH2 TIP3 8684 81.100 29.111 57.933 1.00 0.00 WT2 O ATOM 35210 H1 TIP3 8684 81.911 29.185 58.437 1.00 0.00 WT2 H ATOM 35211 H2 TIP3 8684 80.943 29.994 57.600 1.00 0.00 WT2 H ATOM 35212 OH2 TIP3 8691 67.828 1.305 -3.686 1.00 0.00 WT2 O ATOM 35213 H1 TIP3 8691 67.988 1.093 -4.606 1.00 0.00 WT2 H ATOM 35214 H2 TIP3 8691 68.652 1.098 -3.245 1.00 0.00 WT2 H ATOM 35215 OH2 TIP3 8694 26.127 76.705 5.292 1.00 0.00 WT2 O ATOM 35216 H1 TIP3 8694 25.663 77.139 4.576 1.00 0.00 WT2 H ATOM 35217 H2 TIP3 8694 26.892 77.257 5.453 1.00 0.00 WT2 H ATOM 35218 OH2 TIP3 8695 70.338 36.231 21.241 1.00 0.00 WT2 O ATOM 35219 H1 TIP3 8695 70.644 36.054 20.351 1.00 0.00 WT2 H ATOM 35220 H2 TIP3 8695 69.449 36.567 21.126 1.00 0.00 WT2 H ATOM 35221 OH2 TIP3 8696 29.471 52.155 45.420 1.00 0.00 WT2 O ATOM 35222 H1 TIP3 8696 30.142 52.821 45.571 1.00 0.00 WT2 H ATOM 35223 H2 TIP3 8696 29.420 52.079 44.467 1.00 0.00 WT2 H ATOM 35224 OH2 TIP3 8697 71.101 -0.059 52.682 1.00 0.00 WT2 O ATOM 35225 H1 TIP3 8697 71.057 0.451 51.874 1.00 0.00 WT2 H ATOM 35226 H2 TIP3 8697 72.028 -0.047 52.923 1.00 0.00 WT2 H ATOM 35227 OH2 TIP3 8699 37.322 67.259 7.521 1.00 0.00 WT2 O ATOM 35228 H1 TIP3 8699 38.111 66.804 7.815 1.00 0.00 WT2 H ATOM 35229 H2 TIP3 8699 36.819 66.591 7.057 1.00 0.00 WT2 H ATOM 35230 OH2 TIP3 8700 46.036 7.845 43.007 1.00 0.00 WT2 O ATOM 35231 H1 TIP3 8700 45.748 7.814 43.920 1.00 0.00 WT2 H ATOM 35232 H2 TIP3 8700 46.972 8.038 43.057 1.00 0.00 WT2 H ATOM 35233 OH2 TIP3 8702 75.596 40.723 -19.315 1.00 0.00 WT2 O ATOM 35234 H1 TIP3 8702 74.676 40.943 -19.175 1.00 0.00 WT2 H ATOM 35235 H2 TIP3 8702 76.079 41.460 -18.942 1.00 0.00 WT2 H ATOM 35236 OH2 TIP3 8704 53.949 93.558 57.051 1.00 0.00 WT2 O ATOM 35237 H1 TIP3 8704 54.590 93.543 56.340 1.00 0.00 WT2 H ATOM 35238 H2 TIP3 8704 53.102 93.471 56.612 1.00 0.00 WT2 H ATOM 35239 OH2 TIP3 8715 38.674 28.434 21.568 1.00 0.00 WT2 O ATOM 35240 H1 TIP3 8715 37.902 28.352 21.009 1.00 0.00 WT2 H ATOM 35241 H2 TIP3 8715 38.472 29.165 22.152 1.00 0.00 WT2 H ATOM 35242 OH2 TIP3 8716 63.193 45.643 -5.428 1.00 0.00 WT2 O ATOM 35243 H1 TIP3 8716 63.510 46.201 -4.718 1.00 0.00 WT2 H ATOM 35244 H2 TIP3 8716 63.311 46.170 -6.218 1.00 0.00 WT2 H ATOM 35245 OH2 TIP3 8717 57.665 79.042 41.931 1.00 0.00 WT2 O ATOM 35246 H1 TIP3 8717 58.531 78.744 42.211 1.00 0.00 WT2 H ATOM 35247 H2 TIP3 8717 57.813 79.927 41.597 1.00 0.00 WT2 H ATOM 35248 OH2 TIP3 8718 68.066 52.694 29.218 1.00 0.00 WT2 O ATOM 35249 H1 TIP3 8718 67.721 53.331 28.592 1.00 0.00 WT2 H ATOM 35250 H2 TIP3 8718 67.369 52.044 29.309 1.00 0.00 WT2 H ATOM 35251 OH2 TIP3 8720 67.985 56.621 20.994 1.00 0.00 WT2 O ATOM 35252 H1 TIP3 8720 67.461 55.934 21.407 1.00 0.00 WT2 H ATOM 35253 H2 TIP3 8720 67.348 57.159 20.524 1.00 0.00 WT2 H ATOM 35254 OH2 TIP3 8721 66.560 4.978 49.075 1.00 0.00 WT2 O ATOM 35255 H1 TIP3 8721 66.330 4.331 49.741 1.00 0.00 WT2 H ATOM 35256 H2 TIP3 8721 66.710 5.786 49.567 1.00 0.00 WT2 H ATOM 35257 OH2 TIP3 8722 25.518 36.818 19.679 1.00 0.00 WT2 O ATOM 35258 H1 TIP3 8722 24.710 36.354 19.899 1.00 0.00 WT2 H ATOM 35259 H2 TIP3 8722 25.243 37.509 19.078 1.00 0.00 WT2 H ATOM 35260 OH2 TIP3 8737 65.452 89.484 52.657 1.00 0.00 WT2 O ATOM 35261 H1 TIP3 8737 66.097 89.759 52.005 1.00 0.00 WT2 H ATOM 35262 H2 TIP3 8737 65.361 88.541 52.520 1.00 0.00 WT2 H ATOM 35263 OH2 TIP3 8739 46.890 36.444 -15.171 1.00 0.00 WT2 O ATOM 35264 H1 TIP3 8739 46.619 35.620 -15.576 1.00 0.00 WT2 H ATOM 35265 H2 TIP3 8739 46.073 36.844 -14.873 1.00 0.00 WT2 H ATOM 35266 OH2 TIP3 8740 83.263 66.264 66.566 1.00 0.00 WT2 O ATOM 35267 H1 TIP3 8740 83.975 66.880 66.739 1.00 0.00 WT2 H ATOM 35268 H2 TIP3 8740 83.009 66.440 65.659 1.00 0.00 WT2 H ATOM 35269 OH2 TIP3 8741 77.282 55.726 25.471 1.00 0.00 WT2 O ATOM 35270 H1 TIP3 8741 76.370 55.685 25.183 1.00 0.00 WT2 H ATOM 35271 H2 TIP3 8741 77.772 55.284 24.778 1.00 0.00 WT2 H ATOM 35272 OH2 TIP3 8742 71.788 22.215 36.775 1.00 0.00 WT2 O ATOM 35273 H1 TIP3 8742 72.131 23.042 37.114 1.00 0.00 WT2 H ATOM 35274 H2 TIP3 8742 71.355 22.454 35.955 1.00 0.00 WT2 H ATOM 35275 OH2 TIP3 8743 23.756 1.208 32.524 1.00 0.00 WT2 O ATOM 35276 H1 TIP3 8743 22.805 1.281 32.607 1.00 0.00 WT2 H ATOM 35277 H2 TIP3 8743 24.097 1.952 33.021 1.00 0.00 WT2 H ATOM 35278 OH2 TIP3 8744 50.542 35.430 56.468 1.00 0.00 WT2 O ATOM 35279 H1 TIP3 8744 51.107 35.765 55.772 1.00 0.00 WT2 H ATOM 35280 H2 TIP3 8744 49.668 35.407 56.078 1.00 0.00 WT2 H ATOM 35281 OH2 TIP3 8746 44.554 36.057 21.480 1.00 0.00 WT2 O ATOM 35282 H1 TIP3 8746 44.559 36.343 20.567 1.00 0.00 WT2 H ATOM 35283 H2 TIP3 8746 45.366 36.407 21.846 1.00 0.00 WT2 H ATOM 35284 OH2 TIP3 8754 41.040 60.542 45.724 1.00 0.00 WT2 O ATOM 35285 H1 TIP3 8754 41.038 59.684 45.299 1.00 0.00 WT2 H ATOM 35286 H2 TIP3 8754 41.967 60.764 45.812 1.00 0.00 WT2 H ATOM 35287 OH2 TIP3 8757 63.520 48.590 33.764 1.00 0.00 WT2 O ATOM 35288 H1 TIP3 8757 63.442 47.722 33.369 1.00 0.00 WT2 H ATOM 35289 H2 TIP3 8757 62.908 49.135 33.269 1.00 0.00 WT2 H ATOM 35290 OH2 TIP3 8759 26.131 47.119 -16.746 1.00 0.00 WT2 O ATOM 35291 H1 TIP3 8759 26.417 46.239 -16.502 1.00 0.00 WT2 H ATOM 35292 H2 TIP3 8759 25.869 47.524 -15.919 1.00 0.00 WT2 H ATOM 35293 OH2 TIP3 8760 83.657 8.939 0.939 1.00 0.00 WT2 O ATOM 35294 H1 TIP3 8760 84.049 9.597 0.364 1.00 0.00 WT2 H ATOM 35295 H2 TIP3 8760 83.665 8.133 0.421 1.00 0.00 WT2 H ATOM 35296 OH2 TIP3 8761 36.236 48.936 -15.917 1.00 0.00 WT2 O ATOM 35297 H1 TIP3 8761 36.374 49.763 -16.377 1.00 0.00 WT2 H ATOM 35298 H2 TIP3 8761 36.104 48.293 -16.613 1.00 0.00 WT2 H ATOM 35299 OH2 TIP3 8763 73.404 53.373 -20.046 1.00 0.00 WT2 O ATOM 35300 H1 TIP3 8763 73.532 52.426 -20.088 1.00 0.00 WT2 H ATOM 35301 H2 TIP3 8763 74.227 53.711 -19.693 1.00 0.00 WT2 H ATOM 35302 OH2 TIP3 8764 53.733 63.389 -16.184 1.00 0.00 WT2 O ATOM 35303 H1 TIP3 8764 53.172 63.961 -15.661 1.00 0.00 WT2 H ATOM 35304 H2 TIP3 8764 53.126 62.895 -16.735 1.00 0.00 WT2 H ATOM 35305 OH2 TIP3 8767 25.479 91.500 29.200 1.00 0.00 WT2 O ATOM 35306 H1 TIP3 8767 24.780 91.861 28.655 1.00 0.00 WT2 H ATOM 35307 H2 TIP3 8767 25.731 90.688 28.761 1.00 0.00 WT2 H ATOM 35308 OH2 TIP3 8777 70.355 69.074 57.361 1.00 0.00 WT2 O ATOM 35309 H1 TIP3 8777 69.804 69.751 57.754 1.00 0.00 WT2 H ATOM 35310 H2 TIP3 8777 71.144 69.061 57.903 1.00 0.00 WT2 H ATOM 35311 OH2 TIP3 8778 51.452 90.317 24.263 1.00 0.00 WT2 O ATOM 35312 H1 TIP3 8778 52.283 90.454 24.717 1.00 0.00 WT2 H ATOM 35313 H2 TIP3 8778 50.785 90.454 24.935 1.00 0.00 WT2 H ATOM 35314 OH2 TIP3 8780 82.556 92.496 62.851 1.00 0.00 WT2 O ATOM 35315 H1 TIP3 8780 82.537 91.587 62.554 1.00 0.00 WT2 H ATOM 35316 H2 TIP3 8780 81.678 92.829 62.665 1.00 0.00 WT2 H ATOM 35317 OH2 TIP3 8783 32.491 31.162 -12.953 1.00 0.00 WT2 O ATOM 35318 H1 TIP3 8783 32.995 31.975 -12.994 1.00 0.00 WT2 H ATOM 35319 H2 TIP3 8783 32.821 30.714 -12.174 1.00 0.00 WT2 H ATOM 35320 OH2 TIP3 8785 81.962 25.540 45.209 1.00 0.00 WT2 O ATOM 35321 H1 TIP3 8785 81.796 25.833 44.313 1.00 0.00 WT2 H ATOM 35322 H2 TIP3 8785 82.800 25.940 45.442 1.00 0.00 WT2 H ATOM 35323 OH2 TIP3 8786 83.658 75.312 55.388 1.00 0.00 WT2 O ATOM 35324 H1 TIP3 8786 83.558 74.434 55.757 1.00 0.00 WT2 H ATOM 35325 H2 TIP3 8786 83.360 75.899 56.083 1.00 0.00 WT2 H ATOM 35326 OH2 TIP3 8787 49.026 5.911 5.043 1.00 0.00 WT2 O ATOM 35327 H1 TIP3 8787 48.641 6.479 4.375 1.00 0.00 WT2 H ATOM 35328 H2 TIP3 8787 48.608 5.061 4.905 1.00 0.00 WT2 H ATOM 35329 OH2 TIP3 8790 49.134 35.698 -1.051 1.00 0.00 WT2 O ATOM 35330 H1 TIP3 8790 49.440 36.514 -0.655 1.00 0.00 WT2 H ATOM 35331 H2 TIP3 8790 48.349 35.469 -0.554 1.00 0.00 WT2 H ATOM 35332 OH2 TIP3 8797 24.974 56.126 -8.296 1.00 0.00 WT2 O ATOM 35333 H1 TIP3 8797 24.277 56.780 -8.344 1.00 0.00 WT2 H ATOM 35334 H2 TIP3 8797 24.786 55.634 -7.496 1.00 0.00 WT2 H ATOM 35335 OH2 TIP3 8800 40.850 82.955 -16.290 1.00 0.00 WT2 O ATOM 35336 H1 TIP3 8800 41.667 83.294 -15.926 1.00 0.00 WT2 H ATOM 35337 H2 TIP3 8800 40.664 82.171 -15.773 1.00 0.00 WT2 H ATOM 35338 OH2 TIP3 8801 35.116 17.449 49.638 1.00 0.00 WT2 O ATOM 35339 H1 TIP3 8801 34.947 17.306 48.707 1.00 0.00 WT2 H ATOM 35340 H2 TIP3 8801 34.611 16.766 50.081 1.00 0.00 WT2 H ATOM 35341 OH2 TIP3 8802 85.930 58.639 66.048 1.00 0.00 WT2 O ATOM 35342 H1 TIP3 8802 85.974 57.693 66.181 1.00 0.00 WT2 H ATOM 35343 H2 TIP3 8802 85.033 58.799 65.754 1.00 0.00 WT2 H ATOM 35344 OH2 TIP3 8803 70.736 4.490 29.926 1.00 0.00 WT2 O ATOM 35345 H1 TIP3 8803 70.461 3.585 30.069 1.00 0.00 WT2 H ATOM 35346 H2 TIP3 8803 71.289 4.454 29.146 1.00 0.00 WT2 H ATOM 35347 OH2 TIP3 8804 62.382 75.256 -18.030 1.00 0.00 WT2 O ATOM 35348 H1 TIP3 8804 61.703 74.839 -18.560 1.00 0.00 WT2 H ATOM 35349 H2 TIP3 8804 62.315 74.830 -17.176 1.00 0.00 WT2 H ATOM 35350 OH2 TIP3 8806 28.215 30.457 49.874 1.00 0.00 WT2 O ATOM 35351 H1 TIP3 8806 28.126 29.687 49.313 1.00 0.00 WT2 H ATOM 35352 H2 TIP3 8806 27.823 30.194 50.707 1.00 0.00 WT2 H ATOM 35353 OH2 TIP3 8808 41.660 73.911 -13.028 1.00 0.00 WT2 O ATOM 35354 H1 TIP3 8808 41.880 74.187 -12.138 1.00 0.00 WT2 H ATOM 35355 H2 TIP3 8808 40.757 73.599 -12.966 1.00 0.00 WT2 H ATOM 35356 OH2 TIP3 8809 55.197 60.937 59.783 1.00 0.00 WT2 O ATOM 35357 H1 TIP3 8809 54.437 61.518 59.759 1.00 0.00 WT2 H ATOM 35358 H2 TIP3 8809 54.860 60.090 59.490 1.00 0.00 WT2 H ATOM 35359 OH2 TIP3 8811 71.036 57.731 33.811 1.00 0.00 WT2 O ATOM 35360 H1 TIP3 8811 70.325 57.098 33.714 1.00 0.00 WT2 H ATOM 35361 H2 TIP3 8811 70.594 58.573 33.923 1.00 0.00 WT2 H ATOM 35362 OH2 TIP3 8819 29.071 35.443 -14.736 1.00 0.00 WT2 O ATOM 35363 H1 TIP3 8819 28.961 36.376 -14.918 1.00 0.00 WT2 H ATOM 35364 H2 TIP3 8819 29.840 35.398 -14.168 1.00 0.00 WT2 H ATOM 35365 OH2 TIP3 8820 45.312 16.684 22.015 1.00 0.00 WT2 O ATOM 35366 H1 TIP3 8820 45.220 17.535 22.443 1.00 0.00 WT2 H ATOM 35367 H2 TIP3 8820 45.205 16.871 21.083 1.00 0.00 WT2 H ATOM 35368 OH2 TIP3 8822 25.355 6.180 37.636 1.00 0.00 WT2 O ATOM 35369 H1 TIP3 8822 24.442 6.434 37.505 1.00 0.00 WT2 H ATOM 35370 H2 TIP3 8822 25.659 5.922 36.766 1.00 0.00 WT2 H ATOM 35371 OH2 TIP3 8823 70.174 86.801 49.499 1.00 0.00 WT2 O ATOM 35372 H1 TIP3 8823 70.117 85.846 49.463 1.00 0.00 WT2 H ATOM 35373 H2 TIP3 8823 69.270 87.090 49.625 1.00 0.00 WT2 H ATOM 35374 OH2 TIP3 8827 83.661 77.389 -14.278 1.00 0.00 WT2 O ATOM 35375 H1 TIP3 8827 84.435 77.817 -13.912 1.00 0.00 WT2 H ATOM 35376 H2 TIP3 8827 82.995 78.076 -14.300 1.00 0.00 WT2 H ATOM 35377 OH2 TIP3 8829 21.147 80.546 17.165 1.00 0.00 WT2 O ATOM 35378 H1 TIP3 8829 21.608 80.667 17.995 1.00 0.00 WT2 H ATOM 35379 H2 TIP3 8829 21.345 81.337 16.663 1.00 0.00 WT2 H ATOM 35380 OH2 TIP3 8830 20.738 14.456 -10.415 1.00 0.00 WT2 O ATOM 35381 H1 TIP3 8830 21.203 15.137 -10.901 1.00 0.00 WT2 H ATOM 35382 H2 TIP3 8830 21.128 14.476 -9.541 1.00 0.00 WT2 H ATOM 35383 OH2 TIP3 8842 44.600 10.331 32.512 1.00 0.00 WT2 O ATOM 35384 H1 TIP3 8842 44.704 11.181 32.939 1.00 0.00 WT2 H ATOM 35385 H2 TIP3 8842 45.392 10.227 31.986 1.00 0.00 WT2 H ATOM 35386 OH2 TIP3 8843 77.447 84.325 -14.487 1.00 0.00 WT2 O ATOM 35387 H1 TIP3 8843 77.943 83.690 -13.972 1.00 0.00 WT2 H ATOM 35388 H2 TIP3 8843 76.883 84.764 -13.850 1.00 0.00 WT2 H ATOM 35389 OH2 TIP3 8844 48.180 83.656 40.610 1.00 0.00 WT2 O ATOM 35390 H1 TIP3 8844 47.296 83.984 40.776 1.00 0.00 WT2 H ATOM 35391 H2 TIP3 8844 48.054 82.924 40.006 1.00 0.00 WT2 H ATOM 35392 OH2 TIP3 8845 71.388 31.524 48.008 1.00 0.00 WT2 O ATOM 35393 H1 TIP3 8845 71.963 31.581 48.771 1.00 0.00 WT2 H ATOM 35394 H2 TIP3 8845 71.114 30.607 47.982 1.00 0.00 WT2 H ATOM 35395 OH2 TIP3 8846 26.545 19.719 -15.900 1.00 0.00 WT2 O ATOM 35396 H1 TIP3 8846 26.254 18.821 -16.055 1.00 0.00 WT2 H ATOM 35397 H2 TIP3 8846 26.015 20.019 -15.161 1.00 0.00 WT2 H ATOM 35398 OH2 TIP3 8847 24.712 93.377 -11.301 1.00 0.00 WT2 O ATOM 35399 H1 TIP3 8847 24.671 93.648 -10.383 1.00 0.00 WT2 H ATOM 35400 H2 TIP3 8847 24.444 92.459 -11.291 1.00 0.00 WT2 H ATOM 35401 OH2 TIP3 8849 55.894 74.708 43.097 1.00 0.00 WT2 O ATOM 35402 H1 TIP3 8849 56.127 74.714 42.168 1.00 0.00 WT2 H ATOM 35403 H2 TIP3 8849 54.985 75.008 43.117 1.00 0.00 WT2 H ATOM 35404 OH2 TIP3 8863 66.910 81.252 60.970 1.00 0.00 WT2 O ATOM 35405 H1 TIP3 8863 67.701 81.608 60.564 1.00 0.00 WT2 H ATOM 35406 H2 TIP3 8863 66.738 81.833 61.710 1.00 0.00 WT2 H ATOM 35407 OH2 TIP3 8865 30.833 48.195 49.108 1.00 0.00 WT2 O ATOM 35408 H1 TIP3 8865 31.521 47.557 48.918 1.00 0.00 WT2 H ATOM 35409 H2 TIP3 8865 30.587 48.545 48.252 1.00 0.00 WT2 H ATOM 35410 OH2 TIP3 8866 88.607 18.341 -4.719 1.00 0.00 WT2 O ATOM 35411 H1 TIP3 8866 89.450 18.682 -4.422 1.00 0.00 WT2 H ATOM 35412 H2 TIP3 8866 88.637 17.408 -4.509 1.00 0.00 WT2 H ATOM 35413 OH2 TIP3 8867 57.547 80.802 -2.112 1.00 0.00 WT2 O ATOM 35414 H1 TIP3 8867 57.490 80.737 -1.158 1.00 0.00 WT2 H ATOM 35415 H2 TIP3 8867 58.257 80.207 -2.351 1.00 0.00 WT2 H ATOM 35416 OH2 TIP3 8868 89.732 59.569 41.750 1.00 0.00 WT2 O ATOM 35417 H1 TIP3 8868 89.842 59.132 40.906 1.00 0.00 WT2 H ATOM 35418 H2 TIP3 8868 89.034 59.079 42.186 1.00 0.00 WT2 H ATOM 35419 OH2 TIP3 8869 79.342 64.018 22.040 1.00 0.00 WT2 O ATOM 35420 H1 TIP3 8869 79.750 63.457 22.700 1.00 0.00 WT2 H ATOM 35421 H2 TIP3 8869 78.411 64.014 22.264 1.00 0.00 WT2 H ATOM 35422 OH2 TIP3 8883 73.364 49.523 59.391 1.00 0.00 WT2 O ATOM 35423 H1 TIP3 8883 73.883 49.684 58.603 1.00 0.00 WT2 H ATOM 35424 H2 TIP3 8883 72.456 49.552 59.089 1.00 0.00 WT2 H ATOM 35425 OH2 TIP3 8884 35.123 39.130 -17.560 1.00 0.00 WT2 O ATOM 35426 H1 TIP3 8884 35.506 40.006 -17.579 1.00 0.00 WT2 H ATOM 35427 H2 TIP3 8884 35.795 38.565 -17.941 1.00 0.00 WT2 H ATOM 35428 OH2 TIP3 8885 25.165 43.050 49.972 1.00 0.00 WT2 O ATOM 35429 H1 TIP3 8885 25.491 43.790 50.485 1.00 0.00 WT2 H ATOM 35430 H2 TIP3 8885 25.470 42.277 50.446 1.00 0.00 WT2 H ATOM 35431 OH2 TIP3 8886 80.720 1.436 8.319 1.00 0.00 WT2 O ATOM 35432 H1 TIP3 8886 81.248 1.040 9.012 1.00 0.00 WT2 H ATOM 35433 H2 TIP3 8886 81.319 2.036 7.874 1.00 0.00 WT2 H ATOM 35434 OH2 TIP3 8887 25.392 45.542 59.456 1.00 0.00 WT2 O ATOM 35435 H1 TIP3 8887 24.513 45.921 59.434 1.00 0.00 WT2 H ATOM 35436 H2 TIP3 8887 25.777 45.875 60.266 1.00 0.00 WT2 H ATOM 35437 OH2 TIP3 8889 69.325 64.889 -5.186 1.00 0.00 WT2 O ATOM 35438 H1 TIP3 8889 69.410 65.792 -4.878 1.00 0.00 WT2 H ATOM 35439 H2 TIP3 8889 69.708 64.360 -4.486 1.00 0.00 WT2 H ATOM 35440 OH2 TIP3 8890 75.572 20.357 -6.362 1.00 0.00 WT2 O ATOM 35441 H1 TIP3 8890 75.675 19.427 -6.160 1.00 0.00 WT2 H ATOM 35442 H2 TIP3 8890 76.466 20.679 -6.477 1.00 0.00 WT2 H ATOM 35443 OH2 TIP3 8891 85.981 80.170 7.344 1.00 0.00 WT2 O ATOM 35444 H1 TIP3 8891 85.750 79.617 8.090 1.00 0.00 WT2 H ATOM 35445 H2 TIP3 8891 86.557 79.624 6.809 1.00 0.00 WT2 H ATOM 35446 OH2 TIP3 8901 29.074 93.665 -3.870 1.00 0.00 WT2 O ATOM 35447 H1 TIP3 8901 28.786 94.504 -4.230 1.00 0.00 WT2 H ATOM 35448 H2 TIP3 8901 28.765 93.015 -4.502 1.00 0.00 WT2 H ATOM 35449 OH2 TIP3 8903 57.916 53.037 52.942 1.00 0.00 WT2 O ATOM 35450 H1 TIP3 8903 57.791 52.360 52.277 1.00 0.00 WT2 H ATOM 35451 H2 TIP3 8903 57.421 53.789 52.615 1.00 0.00 WT2 H ATOM 35452 OH2 TIP3 8905 70.194 4.782 11.920 1.00 0.00 WT2 O ATOM 35453 H1 TIP3 8905 71.034 4.725 12.374 1.00 0.00 WT2 H ATOM 35454 H2 TIP3 8905 70.425 4.819 10.991 1.00 0.00 WT2 H ATOM 35455 OH2 TIP3 8906 84.554 53.229 63.392 1.00 0.00 WT2 O ATOM 35456 H1 TIP3 8906 84.134 52.480 62.968 1.00 0.00 WT2 H ATOM 35457 H2 TIP3 8906 84.534 53.921 62.731 1.00 0.00 WT2 H ATOM 35458 OH2 TIP3 8907 67.545 10.585 53.940 1.00 0.00 WT2 O ATOM 35459 H1 TIP3 8907 67.545 9.985 54.686 1.00 0.00 WT2 H ATOM 35460 H2 TIP3 8907 67.850 11.417 54.301 1.00 0.00 WT2 H ATOM 35461 OH2 TIP3 8908 72.951 5.810 43.502 1.00 0.00 WT2 O ATOM 35462 H1 TIP3 8908 73.872 5.979 43.697 1.00 0.00 WT2 H ATOM 35463 H2 TIP3 8908 72.598 5.443 44.313 1.00 0.00 WT2 H ATOM 35464 OH2 TIP3 8909 84.219 96.519 39.174 1.00 0.00 WT2 O ATOM 35465 H1 TIP3 8909 84.749 95.773 38.894 1.00 0.00 WT2 H ATOM 35466 H2 TIP3 8909 84.501 96.690 40.073 1.00 0.00 WT2 H ATOM 35467 OH2 TIP3 8911 52.440 28.587 45.697 1.00 0.00 WT2 O ATOM 35468 H1 TIP3 8911 51.771 27.906 45.634 1.00 0.00 WT2 H ATOM 35469 H2 TIP3 8911 51.981 29.396 45.470 1.00 0.00 WT2 H ATOM 35470 OH2 TIP3 8913 37.688 86.214 31.088 1.00 0.00 WT2 O ATOM 35471 H1 TIP3 8913 38.015 86.016 30.210 1.00 0.00 WT2 H ATOM 35472 H2 TIP3 8913 36.759 85.987 31.055 1.00 0.00 WT2 H ATOM 35473 OH2 TIP3 8914 49.388 86.817 10.504 1.00 0.00 WT2 O ATOM 35474 H1 TIP3 8914 49.166 86.269 11.256 1.00 0.00 WT2 H ATOM 35475 H2 TIP3 8914 50.336 86.720 10.408 1.00 0.00 WT2 H ATOM 35476 OH2 TIP3 8925 65.100 95.292 33.535 1.00 0.00 WT2 O ATOM 35477 H1 TIP3 8925 64.955 94.425 33.157 1.00 0.00 WT2 H ATOM 35478 H2 TIP3 8925 64.504 95.867 33.055 1.00 0.00 WT2 H ATOM 35479 OH2 TIP3 8926 24.960 13.282 -15.580 1.00 0.00 WT2 O ATOM 35480 H1 TIP3 8926 24.209 13.560 -16.103 1.00 0.00 WT2 H ATOM 35481 H2 TIP3 8926 25.034 13.945 -14.894 1.00 0.00 WT2 H ATOM 35482 OH2 TIP3 8927 25.681 47.128 61.512 1.00 0.00 WT2 O ATOM 35483 H1 TIP3 8927 25.977 47.956 61.132 1.00 0.00 WT2 H ATOM 35484 H2 TIP3 8927 26.237 47.005 62.281 1.00 0.00 WT2 H ATOM 35485 OH2 TIP3 8929 60.380 20.266 63.451 1.00 0.00 WT2 O ATOM 35486 H1 TIP3 8929 60.757 19.407 63.258 1.00 0.00 WT2 H ATOM 35487 H2 TIP3 8929 59.462 20.190 63.190 1.00 0.00 WT2 H ATOM 35488 OH2 TIP3 8930 33.424 88.190 12.694 1.00 0.00 WT2 O ATOM 35489 H1 TIP3 8930 32.817 88.915 12.848 1.00 0.00 WT2 H ATOM 35490 H2 TIP3 8930 34.204 88.419 13.200 1.00 0.00 WT2 H ATOM 35491 OH2 TIP3 8931 81.073 2.154 49.349 1.00 0.00 WT2 O ATOM 35492 H1 TIP3 8931 81.043 2.699 48.563 1.00 0.00 WT2 H ATOM 35493 H2 TIP3 8931 80.620 1.348 49.100 1.00 0.00 WT2 H ATOM 35494 OH2 TIP3 8932 69.633 91.531 -3.837 1.00 0.00 WT2 O ATOM 35495 H1 TIP3 8932 68.980 92.230 -3.811 1.00 0.00 WT2 H ATOM 35496 H2 TIP3 8932 69.521 91.129 -4.699 1.00 0.00 WT2 H ATOM 35497 OH2 TIP3 8935 72.005 6.927 -10.397 1.00 0.00 WT2 O ATOM 35498 H1 TIP3 8935 71.106 7.109 -10.671 1.00 0.00 WT2 H ATOM 35499 H2 TIP3 8935 72.001 5.999 -10.161 1.00 0.00 WT2 H ATOM 35500 OH2 TIP3 8944 68.021 26.056 6.463 1.00 0.00 WT2 O ATOM 35501 H1 TIP3 8944 67.984 26.712 5.767 1.00 0.00 WT2 H ATOM 35502 H2 TIP3 8944 67.891 26.554 7.270 1.00 0.00 WT2 H ATOM 35503 OH2 TIP3 8949 74.029 32.895 17.162 1.00 0.00 WT2 O ATOM 35504 H1 TIP3 8949 74.867 32.530 16.878 1.00 0.00 WT2 H ATOM 35505 H2 TIP3 8949 73.383 32.495 16.580 1.00 0.00 WT2 H ATOM 35506 OH2 TIP3 8950 33.410 62.649 -8.059 1.00 0.00 WT2 O ATOM 35507 H1 TIP3 8950 32.499 62.818 -7.816 1.00 0.00 WT2 H ATOM 35508 H2 TIP3 8950 33.372 62.421 -8.988 1.00 0.00 WT2 H ATOM 35509 OH2 TIP3 8951 39.968 29.593 19.387 1.00 0.00 WT2 O ATOM 35510 H1 TIP3 8951 39.473 29.368 20.175 1.00 0.00 WT2 H ATOM 35511 H2 TIP3 8951 40.885 29.523 19.652 1.00 0.00 WT2 H ATOM 35512 OH2 TIP3 8953 36.893 95.778 19.253 1.00 0.00 WT2 O ATOM 35513 H1 TIP3 8953 35.982 95.632 19.000 1.00 0.00 WT2 H ATOM 35514 H2 TIP3 8953 37.123 95.012 19.778 1.00 0.00 WT2 H ATOM 35515 OH2 TIP3 8954 57.920 0.350 -16.091 1.00 0.00 WT2 O ATOM 35516 H1 TIP3 8954 56.988 0.139 -16.043 1.00 0.00 WT2 H ATOM 35517 H2 TIP3 8954 58.251 -0.182 -16.814 1.00 0.00 WT2 H ATOM 35518 OH2 TIP3 8967 78.412 91.796 8.921 1.00 0.00 WT2 O ATOM 35519 H1 TIP3 8967 79.082 92.387 8.578 1.00 0.00 WT2 H ATOM 35520 H2 TIP3 8967 78.413 91.054 8.316 1.00 0.00 WT2 H ATOM 35521 OH2 TIP3 8969 81.019 8.595 64.318 1.00 0.00 WT2 O ATOM 35522 H1 TIP3 8969 81.055 8.475 63.369 1.00 0.00 WT2 H ATOM 35523 H2 TIP3 8969 80.154 8.271 64.568 1.00 0.00 WT2 H ATOM 35524 OH2 TIP3 8970 42.360 84.607 67.193 1.00 0.00 WT2 O ATOM 35525 H1 TIP3 8970 42.930 84.758 66.439 1.00 0.00 WT2 H ATOM 35526 H2 TIP3 8970 41.478 84.785 66.868 1.00 0.00 WT2 H ATOM 35527 OH2 TIP3 8972 53.412 35.677 63.499 1.00 0.00 WT2 O ATOM 35528 H1 TIP3 8972 53.461 35.360 62.597 1.00 0.00 WT2 H ATOM 35529 H2 TIP3 8972 53.675 34.927 64.032 1.00 0.00 WT2 H ATOM 35530 OH2 TIP3 8973 42.299 43.339 47.255 1.00 0.00 WT2 O ATOM 35531 H1 TIP3 8973 42.312 43.151 46.316 1.00 0.00 WT2 H ATOM 35532 H2 TIP3 8973 42.699 44.206 47.331 1.00 0.00 WT2 H ATOM 35533 OH2 TIP3 8974 89.930 50.638 62.136 1.00 0.00 WT2 O ATOM 35534 H1 TIP3 8974 90.677 50.432 62.698 1.00 0.00 WT2 H ATOM 35535 H2 TIP3 8974 90.281 51.242 61.482 1.00 0.00 WT2 H ATOM 35536 OH2 TIP3 8975 68.643 72.417 -4.021 1.00 0.00 WT2 O ATOM 35537 H1 TIP3 8975 67.889 72.216 -4.574 1.00 0.00 WT2 H ATOM 35538 H2 TIP3 8975 69.401 72.278 -4.589 1.00 0.00 WT2 H ATOM 35539 OH2 TIP3 8976 47.631 41.578 65.962 1.00 0.00 WT2 O ATOM 35540 H1 TIP3 8976 46.944 40.953 66.196 1.00 0.00 WT2 H ATOM 35541 H2 TIP3 8976 47.974 41.882 66.802 1.00 0.00 WT2 H ATOM 35542 OH2 TIP3 8977 71.309 34.975 66.404 1.00 0.00 WT2 O ATOM 35543 H1 TIP3 8977 70.750 35.115 65.640 1.00 0.00 WT2 H ATOM 35544 H2 TIP3 8977 70.957 34.187 66.818 1.00 0.00 WT2 H ATOM 35545 OH2 TIP3 8978 75.893 48.649 11.142 1.00 0.00 WT2 O ATOM 35546 H1 TIP3 8978 75.254 48.146 11.647 1.00 0.00 WT2 H ATOM 35547 H2 TIP3 8978 76.698 48.601 11.658 1.00 0.00 WT2 H ATOM 35548 OH2 TIP3 8988 23.309 24.183 44.951 1.00 0.00 WT2 O ATOM 35549 H1 TIP3 8988 23.706 23.338 45.164 1.00 0.00 WT2 H ATOM 35550 H2 TIP3 8988 24.053 24.760 44.778 1.00 0.00 WT2 H ATOM 35551 OH2 TIP3 8990 31.233 56.579 6.190 1.00 0.00 WT2 O ATOM 35552 H1 TIP3 8990 30.917 56.080 6.944 1.00 0.00 WT2 H ATOM 35553 H2 TIP3 8990 32.131 56.274 6.061 1.00 0.00 WT2 H ATOM 35554 OH2 TIP3 8991 87.857 26.284 57.348 1.00 0.00 WT2 O ATOM 35555 H1 TIP3 8991 87.278 27.010 57.116 1.00 0.00 WT2 H ATOM 35556 H2 TIP3 8991 88.509 26.674 57.931 1.00 0.00 WT2 H ATOM 35557 OH2 TIP3 8992 66.127 76.129 -0.784 1.00 0.00 WT2 O ATOM 35558 H1 TIP3 8992 65.593 75.807 -0.058 1.00 0.00 WT2 H ATOM 35559 H2 TIP3 8992 66.372 75.341 -1.269 1.00 0.00 WT2 H ATOM 35560 OH2 TIP3 8995 39.032 44.947 48.948 1.00 0.00 WT2 O ATOM 35561 H1 TIP3 8995 39.580 45.720 48.816 1.00 0.00 WT2 H ATOM 35562 H2 TIP3 8995 39.643 44.263 49.221 1.00 0.00 WT2 H ATOM 35563 OH2 TIP3 8996 82.698 65.771 18.952 1.00 0.00 WT2 O ATOM 35564 H1 TIP3 8996 82.194 66.583 18.891 1.00 0.00 WT2 H ATOM 35565 H2 TIP3 8996 82.921 65.558 18.045 1.00 0.00 WT2 H ATOM 35566 OH2 TIP3 8997 79.871 77.937 18.156 1.00 0.00 WT2 O ATOM 35567 H1 TIP3 8997 79.363 78.171 18.932 1.00 0.00 WT2 H ATOM 35568 H2 TIP3 8997 79.223 77.596 17.539 1.00 0.00 WT2 H ATOM 35569 OH2 TIP3 8999 79.565 37.051 -17.271 1.00 0.00 WT2 O ATOM 35570 H1 TIP3 8999 79.025 36.669 -16.579 1.00 0.00 WT2 H ATOM 35571 H2 TIP3 8999 79.167 37.904 -17.444 1.00 0.00 WT2 H ATOM 35572 OH2 TIP3 9008 23.035 9.706 7.698 1.00 0.00 WT2 O ATOM 35573 H1 TIP3 9008 22.736 9.474 8.577 1.00 0.00 WT2 H ATOM 35574 H2 TIP3 9008 23.803 10.257 7.843 1.00 0.00 WT2 H ATOM 35575 OH2 TIP3 9009 30.078 65.627 -13.474 1.00 0.00 WT2 O ATOM 35576 H1 TIP3 9009 30.630 64.844 -13.486 1.00 0.00 WT2 H ATOM 35577 H2 TIP3 9009 30.506 66.232 -14.080 1.00 0.00 WT2 H ATOM 35578 OH2 TIP3 9013 32.303 10.480 66.181 1.00 0.00 WT2 O ATOM 35579 H1 TIP3 9013 32.300 9.888 66.932 1.00 0.00 WT2 H ATOM 35580 H2 TIP3 9013 33.007 11.101 66.367 1.00 0.00 WT2 H ATOM 35581 OH2 TIP3 9014 58.183 60.999 64.554 1.00 0.00 WT2 O ATOM 35582 H1 TIP3 9014 58.252 60.084 64.827 1.00 0.00 WT2 H ATOM 35583 H2 TIP3 9014 57.785 60.961 63.685 1.00 0.00 WT2 H ATOM 35584 OH2 TIP3 9015 41.255 4.584 35.547 1.00 0.00 WT2 O ATOM 35585 H1 TIP3 9015 41.821 5.090 36.130 1.00 0.00 WT2 H ATOM 35586 H2 TIP3 9015 41.812 3.872 35.232 1.00 0.00 WT2 H ATOM 35587 OH2 TIP3 9016 37.500 18.974 -3.571 1.00 0.00 WT2 O ATOM 35588 H1 TIP3 9016 37.987 18.782 -2.769 1.00 0.00 WT2 H ATOM 35589 H2 TIP3 9016 36.920 19.697 -3.333 1.00 0.00 WT2 H ATOM 35590 OH2 TIP3 9019 60.244 90.384 43.674 1.00 0.00 WT2 O ATOM 35591 H1 TIP3 9019 59.987 91.046 44.315 1.00 0.00 WT2 H ATOM 35592 H2 TIP3 9019 60.891 89.846 44.130 1.00 0.00 WT2 H ATOM 35593 OH2 TIP3 9024 50.330 6.939 -20.058 1.00 0.00 WT2 O ATOM 35594 H1 TIP3 9024 50.783 6.225 -19.609 1.00 0.00 WT2 H ATOM 35595 H2 TIP3 9024 49.449 6.939 -19.683 1.00 0.00 WT2 H ATOM 35596 OH2 TIP3 9031 65.504 51.777 19.159 1.00 0.00 WT2 O ATOM 35597 H1 TIP3 9031 65.160 51.148 18.525 1.00 0.00 WT2 H ATOM 35598 H2 TIP3 9031 64.879 52.501 19.142 1.00 0.00 WT2 H ATOM 35599 OH2 TIP3 9033 65.550 14.514 59.421 1.00 0.00 WT2 O ATOM 35600 H1 TIP3 9033 65.898 15.377 59.197 1.00 0.00 WT2 H ATOM 35601 H2 TIP3 9033 65.308 14.585 60.345 1.00 0.00 WT2 H ATOM 35602 OH2 TIP3 9034 31.444 54.452 -15.416 1.00 0.00 WT2 O ATOM 35603 H1 TIP3 9034 31.554 55.288 -14.964 1.00 0.00 WT2 H ATOM 35604 H2 TIP3 9034 32.282 54.004 -15.300 1.00 0.00 WT2 H ATOM 35605 OH2 TIP3 9035 73.358 71.286 64.569 1.00 0.00 WT2 O ATOM 35606 H1 TIP3 9035 73.087 71.283 65.487 1.00 0.00 WT2 H ATOM 35607 H2 TIP3 9035 72.869 70.565 64.172 1.00 0.00 WT2 H ATOM 35608 OH2 TIP3 9036 71.966 83.860 -17.147 1.00 0.00 WT2 O ATOM 35609 H1 TIP3 9036 72.614 84.236 -17.743 1.00 0.00 WT2 H ATOM 35610 H2 TIP3 9036 71.159 83.826 -17.660 1.00 0.00 WT2 H ATOM 35611 OH2 TIP3 9039 21.020 53.362 -17.073 1.00 0.00 WT2 O ATOM 35612 H1 TIP3 9039 21.600 52.633 -16.855 1.00 0.00 WT2 H ATOM 35613 H2 TIP3 9039 21.484 53.842 -17.759 1.00 0.00 WT2 H ATOM 35614 OH2 TIP3 9047 86.353 21.038 37.021 1.00 0.00 WT2 O ATOM 35615 H1 TIP3 9047 86.704 21.927 36.964 1.00 0.00 WT2 H ATOM 35616 H2 TIP3 9047 86.733 20.681 37.824 1.00 0.00 WT2 H ATOM 35617 OH2 TIP3 9051 65.115 63.711 27.847 1.00 0.00 WT2 O ATOM 35618 H1 TIP3 9051 64.294 63.554 28.315 1.00 0.00 WT2 H ATOM 35619 H2 TIP3 9051 64.871 63.692 26.922 1.00 0.00 WT2 H ATOM 35620 OH2 TIP3 9052 67.860 63.909 52.693 1.00 0.00 WT2 O ATOM 35621 H1 TIP3 9052 67.554 63.009 52.586 1.00 0.00 WT2 H ATOM 35622 H2 TIP3 9052 68.368 64.086 51.901 1.00 0.00 WT2 H ATOM 35623 OH2 TIP3 9054 77.034 16.618 57.084 1.00 0.00 WT2 O ATOM 35624 H1 TIP3 9054 76.346 16.555 56.421 1.00 0.00 WT2 H ATOM 35625 H2 TIP3 9054 77.808 16.905 56.599 1.00 0.00 WT2 H ATOM 35626 OH2 TIP3 9055 36.197 53.762 47.528 1.00 0.00 WT2 O ATOM 35627 H1 TIP3 9055 35.778 53.584 48.370 1.00 0.00 WT2 H ATOM 35628 H2 TIP3 9055 37.065 53.366 47.604 1.00 0.00 WT2 H ATOM 35629 OH2 TIP3 9058 53.884 62.858 -6.638 1.00 0.00 WT2 O ATOM 35630 H1 TIP3 9058 54.578 62.850 -5.979 1.00 0.00 WT2 H ATOM 35631 H2 TIP3 9058 53.076 62.961 -6.135 1.00 0.00 WT2 H ATOM 35632 OH2 TIP3 9072 22.090 18.728 61.836 1.00 0.00 WT2 O ATOM 35633 H1 TIP3 9072 21.807 18.436 62.703 1.00 0.00 WT2 H ATOM 35634 H2 TIP3 9072 21.878 19.661 61.816 1.00 0.00 WT2 H ATOM 35635 OH2 TIP3 9073 86.693 49.864 37.410 1.00 0.00 WT2 O ATOM 35636 H1 TIP3 9073 86.240 50.705 37.470 1.00 0.00 WT2 H ATOM 35637 H2 TIP3 9073 86.057 49.279 36.997 1.00 0.00 WT2 H ATOM 35638 OH2 TIP3 9075 43.412 76.706 60.030 1.00 0.00 WT2 O ATOM 35639 H1 TIP3 9075 42.673 76.102 60.097 1.00 0.00 WT2 H ATOM 35640 H2 TIP3 9075 43.194 77.419 60.631 1.00 0.00 WT2 H ATOM 35641 OH2 TIP3 9078 86.851 1.949 63.426 1.00 0.00 WT2 O ATOM 35642 H1 TIP3 9078 85.914 2.086 63.289 1.00 0.00 WT2 H ATOM 35643 H2 TIP3 9078 87.208 2.830 63.546 1.00 0.00 WT2 H ATOM 35644 OH2 TIP3 9079 72.355 12.763 -19.510 1.00 0.00 WT2 O ATOM 35645 H1 TIP3 9079 72.817 12.069 -19.039 1.00 0.00 WT2 H ATOM 35646 H2 TIP3 9079 71.433 12.632 -19.286 1.00 0.00 WT2 H ATOM 35647 OH2 TIP3 9080 29.783 90.841 -9.417 1.00 0.00 WT2 O ATOM 35648 H1 TIP3 9080 29.733 91.637 -8.888 1.00 0.00 WT2 H ATOM 35649 H2 TIP3 9080 28.884 90.691 -9.709 1.00 0.00 WT2 H ATOM 35650 OH2 TIP3 9082 61.495 11.871 -5.848 1.00 0.00 WT2 O ATOM 35651 H1 TIP3 9082 61.344 11.154 -6.464 1.00 0.00 WT2 H ATOM 35652 H2 TIP3 9082 62.097 12.458 -6.306 1.00 0.00 WT2 H ATOM 35653 OH2 TIP3 9092 60.271 46.042 36.210 1.00 0.00 WT2 O ATOM 35654 H1 TIP3 9092 60.947 46.607 36.583 1.00 0.00 WT2 H ATOM 35655 H2 TIP3 9092 60.136 46.381 35.325 1.00 0.00 WT2 H ATOM 35656 OH2 TIP3 9093 25.459 51.091 42.022 1.00 0.00 WT2 O ATOM 35657 H1 TIP3 9093 26.225 51.648 42.160 1.00 0.00 WT2 H ATOM 35658 H2 TIP3 9093 24.801 51.676 41.647 1.00 0.00 WT2 H ATOM 35659 OH2 TIP3 9094 73.492 47.510 53.946 1.00 0.00 WT2 O ATOM 35660 H1 TIP3 9094 74.126 48.227 53.958 1.00 0.00 WT2 H ATOM 35661 H2 TIP3 9094 73.454 47.238 53.029 1.00 0.00 WT2 H ATOM 35662 OH2 TIP3 9096 81.899 21.810 55.226 1.00 0.00 WT2 O ATOM 35663 H1 TIP3 9096 82.271 21.387 54.453 1.00 0.00 WT2 H ATOM 35664 H2 TIP3 9096 80.997 22.014 54.977 1.00 0.00 WT2 H ATOM 35665 OH2 TIP3 9097 28.640 49.174 -10.709 1.00 0.00 WT2 O ATOM 35666 H1 TIP3 9097 28.239 49.862 -10.177 1.00 0.00 WT2 H ATOM 35667 H2 TIP3 9097 28.057 49.083 -11.463 1.00 0.00 WT2 H ATOM 35668 OH2 TIP3 9098 63.551 41.935 37.881 1.00 0.00 WT2 O ATOM 35669 H1 TIP3 9098 62.859 41.904 37.220 1.00 0.00 WT2 H ATOM 35670 H2 TIP3 9098 63.903 41.046 37.902 1.00 0.00 WT2 H ATOM 35671 OH2 TIP3 9099 51.438 8.825 -13.967 1.00 0.00 WT2 O ATOM 35672 H1 TIP3 9099 51.278 9.767 -14.020 1.00 0.00 WT2 H ATOM 35673 H2 TIP3 9099 51.912 8.709 -13.143 1.00 0.00 WT2 H ATOM 35674 OH2 TIP3 9100 85.340 42.017 22.454 1.00 0.00 WT2 O ATOM 35675 H1 TIP3 9100 86.107 42.195 21.910 1.00 0.00 WT2 H ATOM 35676 H2 TIP3 9100 84.601 42.059 21.848 1.00 0.00 WT2 H ATOM 35677 OH2 TIP3 9103 71.653 10.926 3.595 1.00 0.00 WT2 O ATOM 35678 H1 TIP3 9103 71.761 10.269 4.283 1.00 0.00 WT2 H ATOM 35679 H2 TIP3 9103 71.091 10.504 2.946 1.00 0.00 WT2 H ATOM 35680 OH2 TIP3 9110 21.299 52.790 42.736 1.00 0.00 WT2 O ATOM 35681 H1 TIP3 9110 21.966 53.120 42.134 1.00 0.00 WT2 H ATOM 35682 H2 TIP3 9110 21.619 53.032 43.605 1.00 0.00 WT2 H ATOM 35683 OH2 TIP3 9116 20.275 32.610 -2.282 1.00 0.00 WT2 O ATOM 35684 H1 TIP3 9116 20.338 33.035 -3.138 1.00 0.00 WT2 H ATOM 35685 H2 TIP3 9116 21.083 32.103 -2.207 1.00 0.00 WT2 H ATOM 35686 OH2 TIP3 9117 33.091 56.909 26.590 1.00 0.00 WT2 O ATOM 35687 H1 TIP3 9117 33.128 56.707 25.655 1.00 0.00 WT2 H ATOM 35688 H2 TIP3 9117 32.893 57.845 26.626 1.00 0.00 WT2 H ATOM 35689 OH2 TIP3 9120 66.629 77.358 26.571 1.00 0.00 WT2 O ATOM 35690 H1 TIP3 9120 67.201 77.896 26.024 1.00 0.00 WT2 H ATOM 35691 H2 TIP3 9120 65.829 77.256 26.054 1.00 0.00 WT2 H ATOM 35692 OH2 TIP3 9122 78.290 23.339 44.768 1.00 0.00 WT2 O ATOM 35693 H1 TIP3 9122 77.665 23.413 44.047 1.00 0.00 WT2 H ATOM 35694 H2 TIP3 9122 78.069 24.064 45.352 1.00 0.00 WT2 H ATOM 35695 OH2 TIP3 9123 38.836 36.953 15.994 1.00 0.00 WT2 O ATOM 35696 H1 TIP3 9123 39.256 36.312 16.568 1.00 0.00 WT2 H ATOM 35697 H2 TIP3 9123 39.548 37.529 15.715 1.00 0.00 WT2 H ATOM 35698 OH2 TIP3 9124 71.549 46.168 41.283 1.00 0.00 WT2 O ATOM 35699 H1 TIP3 9124 71.133 46.988 41.550 1.00 0.00 WT2 H ATOM 35700 H2 TIP3 9124 72.097 46.408 40.536 1.00 0.00 WT2 H ATOM 35701 OH2 TIP3 9136 86.380 69.119 38.287 1.00 0.00 WT2 O ATOM 35702 H1 TIP3 9136 87.307 69.170 38.054 1.00 0.00 WT2 H ATOM 35703 H2 TIP3 9136 86.000 68.529 37.636 1.00 0.00 WT2 H ATOM 35704 OH2 TIP3 9138 42.310 88.670 -18.931 1.00 0.00 WT2 O ATOM 35705 H1 TIP3 9138 41.875 88.440 -19.752 1.00 0.00 WT2 H ATOM 35706 H2 TIP3 9138 42.922 87.951 -18.774 1.00 0.00 WT2 H ATOM 35707 OH2 TIP3 9139 20.593 6.685 42.941 1.00 0.00 WT2 O ATOM 35708 H1 TIP3 9139 21.161 6.500 43.689 1.00 0.00 WT2 H ATOM 35709 H2 TIP3 9139 21.193 6.956 42.246 1.00 0.00 WT2 H ATOM 35710 OH2 TIP3 9140 89.810 64.715 19.402 1.00 0.00 WT2 O ATOM 35711 H1 TIP3 9140 89.824 64.278 18.550 1.00 0.00 WT2 H ATOM 35712 H2 TIP3 9140 88.890 64.697 19.666 1.00 0.00 WT2 H ATOM 35713 OH2 TIP3 9144 88.410 46.694 55.407 1.00 0.00 WT2 O ATOM 35714 H1 TIP3 9144 87.748 46.004 55.368 1.00 0.00 WT2 H ATOM 35715 H2 TIP3 9144 88.376 47.008 56.311 1.00 0.00 WT2 H ATOM 35716 OH2 TIP3 9145 37.138 25.771 -16.963 1.00 0.00 WT2 O ATOM 35717 H1 TIP3 9145 37.342 25.815 -16.028 1.00 0.00 WT2 H ATOM 35718 H2 TIP3 9145 36.560 26.518 -17.118 1.00 0.00 WT2 H ATOM 35719 OH2 TIP3 9157 29.477 68.181 54.806 1.00 0.00 WT2 O ATOM 35720 H1 TIP3 9157 28.878 67.935 54.102 1.00 0.00 WT2 H ATOM 35721 H2 TIP3 9157 30.309 68.353 54.365 1.00 0.00 WT2 H ATOM 35722 OH2 TIP3 9158 89.835 66.333 49.751 1.00 0.00 WT2 O ATOM 35723 H1 TIP3 9158 89.509 67.129 50.171 1.00 0.00 WT2 H ATOM 35724 H2 TIP3 9158 90.222 66.636 48.930 1.00 0.00 WT2 H ATOM 35725 OH2 TIP3 9159 76.330 93.771 -5.576 1.00 0.00 WT2 O ATOM 35726 H1 TIP3 9159 76.302 94.183 -4.712 1.00 0.00 WT2 H ATOM 35727 H2 TIP3 9159 75.746 94.305 -6.115 1.00 0.00 WT2 H ATOM 35728 OH2 TIP3 9160 40.108 0.971 33.777 1.00 0.00 WT2 O ATOM 35729 H1 TIP3 9160 39.661 1.548 34.395 1.00 0.00 WT2 H ATOM 35730 H2 TIP3 9160 40.978 1.356 33.674 1.00 0.00 WT2 H ATOM 35731 OH2 TIP3 9161 60.887 88.114 64.018 1.00 0.00 WT2 O ATOM 35732 H1 TIP3 9161 61.241 87.760 64.834 1.00 0.00 WT2 H ATOM 35733 H2 TIP3 9161 60.793 87.351 63.447 1.00 0.00 WT2 H ATOM 35734 OH2 TIP3 9162 88.559 37.734 36.303 1.00 0.00 WT2 O ATOM 35735 H1 TIP3 9162 88.552 38.235 37.118 1.00 0.00 WT2 H ATOM 35736 H2 TIP3 9162 87.662 37.411 36.212 1.00 0.00 WT2 H ATOM 35737 OH2 TIP3 9163 36.271 32.773 52.455 1.00 0.00 WT2 O ATOM 35738 H1 TIP3 9163 36.926 32.631 53.138 1.00 0.00 WT2 H ATOM 35739 H2 TIP3 9163 35.806 31.939 52.391 1.00 0.00 WT2 H ATOM 35740 OH2 TIP3 9167 59.383 91.634 29.928 1.00 0.00 WT2 O ATOM 35741 H1 TIP3 9167 58.539 91.373 29.559 1.00 0.00 WT2 H ATOM 35742 H2 TIP3 9167 60.010 91.484 29.221 1.00 0.00 WT2 H ATOM 35743 OH2 TIP3 9170 27.413 29.564 60.347 1.00 0.00 WT2 O ATOM 35744 H1 TIP3 9170 27.331 30.490 60.119 1.00 0.00 WT2 H ATOM 35745 H2 TIP3 9170 27.621 29.565 61.282 1.00 0.00 WT2 H ATOM 35746 OH2 TIP3 9177 90.523 65.508 58.170 1.00 0.00 WT2 O ATOM 35747 H1 TIP3 9177 90.943 65.730 59.001 1.00 0.00 WT2 H ATOM 35748 H2 TIP3 9177 89.596 65.700 58.311 1.00 0.00 WT2 H ATOM 35749 OH2 TIP3 9180 84.414 38.497 54.620 1.00 0.00 WT2 O ATOM 35750 H1 TIP3 9180 83.503 38.742 54.461 1.00 0.00 WT2 H ATOM 35751 H2 TIP3 9180 84.809 39.278 55.008 1.00 0.00 WT2 H ATOM 35752 OH2 TIP3 9181 48.230 12.674 32.400 1.00 0.00 WT2 O ATOM 35753 H1 TIP3 9181 47.533 12.232 31.916 1.00 0.00 WT2 H ATOM 35754 H2 TIP3 9181 48.855 12.945 31.728 1.00 0.00 WT2 H ATOM 35755 OH2 TIP3 9183 28.008 74.207 43.810 1.00 0.00 WT2 O ATOM 35756 H1 TIP3 9183 27.681 75.099 43.925 1.00 0.00 WT2 H ATOM 35757 H2 TIP3 9183 28.437 74.216 42.954 1.00 0.00 WT2 H ATOM 35758 OH2 TIP3 9184 25.280 78.051 22.600 1.00 0.00 WT2 O ATOM 35759 H1 TIP3 9184 24.583 78.610 22.257 1.00 0.00 WT2 H ATOM 35760 H2 TIP3 9184 25.241 77.261 22.061 1.00 0.00 WT2 H ATOM 35761 OH2 TIP3 9185 33.429 27.073 17.842 1.00 0.00 WT2 O ATOM 35762 H1 TIP3 9185 34.092 27.379 17.223 1.00 0.00 WT2 H ATOM 35763 H2 TIP3 9185 32.596 27.231 17.398 1.00 0.00 WT2 H ATOM 35764 OH2 TIP3 9186 58.736 93.131 -15.755 1.00 0.00 WT2 O ATOM 35765 H1 TIP3 9186 58.389 92.256 -15.931 1.00 0.00 WT2 H ATOM 35766 H2 TIP3 9186 58.561 93.624 -16.557 1.00 0.00 WT2 H ATOM 35767 OH2 TIP3 9198 63.409 40.640 47.741 1.00 0.00 WT2 O ATOM 35768 H1 TIP3 9198 62.855 39.925 48.056 1.00 0.00 WT2 H ATOM 35769 H2 TIP3 9198 63.835 40.978 48.529 1.00 0.00 WT2 H ATOM 35770 OH2 TIP3 9200 90.570 60.116 -16.184 1.00 0.00 WT2 O ATOM 35771 H1 TIP3 9200 89.975 59.809 -15.500 1.00 0.00 WT2 H ATOM 35772 H2 TIP3 9200 91.366 60.366 -15.715 1.00 0.00 WT2 H ATOM 35773 OH2 TIP3 9201 88.284 88.790 46.415 1.00 0.00 WT2 O ATOM 35774 H1 TIP3 9201 88.522 88.107 47.042 1.00 0.00 WT2 H ATOM 35775 H2 TIP3 9201 87.484 88.468 46.001 1.00 0.00 WT2 H ATOM 35776 OH2 TIP3 9202 57.059 82.238 29.125 1.00 0.00 WT2 O ATOM 35777 H1 TIP3 9202 57.448 83.112 29.090 1.00 0.00 WT2 H ATOM 35778 H2 TIP3 9202 56.481 82.263 29.888 1.00 0.00 WT2 H ATOM 35779 OH2 TIP3 9203 76.001 63.233 -17.274 1.00 0.00 WT2 O ATOM 35780 H1 TIP3 9203 76.482 63.990 -17.607 1.00 0.00 WT2 H ATOM 35781 H2 TIP3 9203 75.643 63.525 -16.436 1.00 0.00 WT2 H ATOM 35782 OH2 TIP3 9204 63.755 31.796 38.545 1.00 0.00 WT2 O ATOM 35783 H1 TIP3 9204 63.520 32.212 37.716 1.00 0.00 WT2 H ATOM 35784 H2 TIP3 9204 62.991 31.267 38.774 1.00 0.00 WT2 H ATOM 35785 OH2 TIP3 9205 84.631 49.913 7.644 1.00 0.00 WT2 O ATOM 35786 H1 TIP3 9205 84.077 50.607 8.000 1.00 0.00 WT2 H ATOM 35787 H2 TIP3 9205 85.475 50.337 7.487 1.00 0.00 WT2 H ATOM 35788 OH2 TIP3 9219 80.274 5.941 -7.149 1.00 0.00 WT2 O ATOM 35789 H1 TIP3 9219 80.004 6.439 -7.921 1.00 0.00 WT2 H ATOM 35790 H2 TIP3 9219 79.473 5.843 -6.634 1.00 0.00 WT2 H ATOM 35791 OH2 TIP3 9222 43.257 45.583 2.811 1.00 0.00 WT2 O ATOM 35792 H1 TIP3 9222 42.616 44.882 2.694 1.00 0.00 WT2 H ATOM 35793 H2 TIP3 9222 43.496 45.841 1.921 1.00 0.00 WT2 H ATOM 35794 OH2 TIP3 9223 65.312 93.667 45.042 1.00 0.00 WT2 O ATOM 35795 H1 TIP3 9223 64.426 94.010 45.162 1.00 0.00 WT2 H ATOM 35796 H2 TIP3 9223 65.369 93.473 44.107 1.00 0.00 WT2 H ATOM 35797 OH2 TIP3 9225 84.108 25.956 48.082 1.00 0.00 WT2 O ATOM 35798 H1 TIP3 9225 85.017 26.168 48.298 1.00 0.00 WT2 H ATOM 35799 H2 TIP3 9225 83.855 26.615 47.436 1.00 0.00 WT2 H ATOM 35800 OH2 TIP3 9226 87.230 53.127 65.855 1.00 0.00 WT2 O ATOM 35801 H1 TIP3 9226 86.301 52.937 65.987 1.00 0.00 WT2 H ATOM 35802 H2 TIP3 9226 87.635 52.944 66.703 1.00 0.00 WT2 H ATOM 35803 OH2 TIP3 9227 29.161 61.230 -15.298 1.00 0.00 WT2 O ATOM 35804 H1 TIP3 9227 29.845 60.817 -14.771 1.00 0.00 WT2 H ATOM 35805 H2 TIP3 9227 29.328 60.925 -16.190 1.00 0.00 WT2 H ATOM 35806 OH2 TIP3 9228 87.765 33.157 52.946 1.00 0.00 WT2 O ATOM 35807 H1 TIP3 9228 88.232 33.605 52.240 1.00 0.00 WT2 H ATOM 35808 H2 TIP3 9228 87.984 32.232 52.829 1.00 0.00 WT2 H ATOM 35809 OH2 TIP3 9241 59.404 6.612 3.334 1.00 0.00 WT2 O ATOM 35810 H1 TIP3 9241 59.735 6.330 4.186 1.00 0.00 WT2 H ATOM 35811 H2 TIP3 9241 60.179 6.636 2.772 1.00 0.00 WT2 H ATOM 35812 OH2 TIP3 9242 25.195 33.577 14.774 1.00 0.00 WT2 O ATOM 35813 H1 TIP3 9242 25.650 33.362 13.960 1.00 0.00 WT2 H ATOM 35814 H2 TIP3 9242 25.843 34.054 15.293 1.00 0.00 WT2 H ATOM 35815 OH2 TIP3 9243 32.453 15.205 56.895 1.00 0.00 WT2 O ATOM 35816 H1 TIP3 9243 32.332 16.105 57.200 1.00 0.00 WT2 H ATOM 35817 H2 TIP3 9243 31.568 14.897 56.701 1.00 0.00 WT2 H ATOM 35818 OH2 TIP3 9244 89.571 58.264 48.128 1.00 0.00 WT2 O ATOM 35819 H1 TIP3 9244 90.406 58.274 48.596 1.00 0.00 WT2 H ATOM 35820 H2 TIP3 9244 89.815 58.251 47.202 1.00 0.00 WT2 H ATOM 35821 OH2 TIP3 9245 55.539 93.711 -18.462 1.00 0.00 WT2 O ATOM 35822 H1 TIP3 9245 55.106 92.861 -18.539 1.00 0.00 WT2 H ATOM 35823 H2 TIP3 9245 55.314 94.015 -17.582 1.00 0.00 WT2 H ATOM 35824 OH2 TIP3 9246 82.913 8.914 57.469 1.00 0.00 WT2 O ATOM 35825 H1 TIP3 9246 83.438 9.068 58.255 1.00 0.00 WT2 H ATOM 35826 H2 TIP3 9246 82.696 9.790 57.150 1.00 0.00 WT2 H ATOM 35827 OH2 TIP3 9247 32.045 9.412 55.096 1.00 0.00 WT2 O ATOM 35828 H1 TIP3 9247 32.190 10.184 55.643 1.00 0.00 WT2 H ATOM 35829 H2 TIP3 9247 32.868 8.926 55.142 1.00 0.00 WT2 H ATOM 35830 OH2 TIP3 9250 84.568 37.220 -0.660 1.00 0.00 WT2 O ATOM 35831 H1 TIP3 9250 84.548 38.159 -0.475 1.00 0.00 WT2 H ATOM 35832 H2 TIP3 9250 85.467 36.955 -0.461 1.00 0.00 WT2 H ATOM 35833 OH2 TIP3 9259 39.537 79.989 45.277 1.00 0.00 WT2 O ATOM 35834 H1 TIP3 9259 39.677 80.763 44.731 1.00 0.00 WT2 H ATOM 35835 H2 TIP3 9259 38.592 79.841 45.245 1.00 0.00 WT2 H ATOM 35836 OH2 TIP3 9261 59.155 1.572 6.036 1.00 0.00 WT2 O ATOM 35837 H1 TIP3 9261 58.240 1.768 5.832 1.00 0.00 WT2 H ATOM 35838 H2 TIP3 9261 59.474 2.357 6.481 1.00 0.00 WT2 H ATOM 35839 OH2 TIP3 4 60.986 10.898 -3.206 1.00 0.00 WT3 O ATOM 35840 H1 TIP3 4 61.400 11.637 -2.761 1.00 0.00 WT3 H ATOM 35841 H2 TIP3 4 61.064 11.105 -4.137 1.00 0.00 WT3 H ATOM 35842 OH2 TIP3 5 71.441 86.159 44.112 1.00 0.00 WT3 O ATOM 35843 H1 TIP3 5 70.883 86.919 44.277 1.00 0.00 WT3 H ATOM 35844 H2 TIP3 5 70.849 85.409 44.175 1.00 0.00 WT3 H ATOM 35845 OH2 TIP3 6 74.386 39.054 5.344 1.00 0.00 WT3 O ATOM 35846 H1 TIP3 6 73.953 39.817 5.728 1.00 0.00 WT3 H ATOM 35847 H2 TIP3 6 74.079 38.315 5.868 1.00 0.00 WT3 H ATOM 35848 OH2 TIP3 7 60.369 82.756 54.236 1.00 0.00 WT3 O ATOM 35849 H1 TIP3 7 61.166 82.421 54.645 1.00 0.00 WT3 H ATOM 35850 H2 TIP3 7 59.691 82.641 54.902 1.00 0.00 WT3 H ATOM 35851 OH2 TIP3 8 42.101 63.725 45.405 1.00 0.00 WT3 O ATOM 35852 H1 TIP3 8 42.963 63.525 45.041 1.00 0.00 WT3 H ATOM 35853 H2 TIP3 8 42.097 64.677 45.503 1.00 0.00 WT3 H ATOM 35854 OH2 TIP3 10 51.654 93.167 14.473 1.00 0.00 WT3 O ATOM 35855 H1 TIP3 10 51.275 93.873 13.949 1.00 0.00 WT3 H ATOM 35856 H2 TIP3 10 52.515 93.015 14.083 1.00 0.00 WT3 H ATOM 35857 OH2 TIP3 11 77.300 54.360 16.417 1.00 0.00 WT3 O ATOM 35858 H1 TIP3 11 77.986 54.949 16.731 1.00 0.00 WT3 H ATOM 35859 H2 TIP3 11 76.631 54.384 17.100 1.00 0.00 WT3 H ATOM 35860 OH2 TIP3 12 43.184 3.454 7.191 1.00 0.00 WT3 O ATOM 35861 H1 TIP3 12 43.960 3.869 7.568 1.00 0.00 WT3 H ATOM 35862 H2 TIP3 12 42.537 3.469 7.897 1.00 0.00 WT3 H ATOM 35863 OH2 TIP3 13 47.366 48.673 -15.947 1.00 0.00 WT3 O ATOM 35864 H1 TIP3 13 47.813 47.831 -16.039 1.00 0.00 WT3 H ATOM 35865 H2 TIP3 13 47.086 48.893 -16.836 1.00 0.00 WT3 H ATOM 35866 OH2 TIP3 15 72.024 60.485 30.236 1.00 0.00 WT3 O ATOM 35867 H1 TIP3 15 72.582 59.710 30.172 1.00 0.00 WT3 H ATOM 35868 H2 TIP3 15 71.136 60.136 30.312 1.00 0.00 WT3 H ATOM 35869 OH2 TIP3 16 27.111 77.151 55.693 1.00 0.00 WT3 O ATOM 35870 H1 TIP3 16 27.118 78.078 55.933 1.00 0.00 WT3 H ATOM 35871 H2 TIP3 16 27.312 76.691 56.507 1.00 0.00 WT3 H ATOM 35872 OH2 TIP3 17 23.383 48.696 58.787 1.00 0.00 WT3 O ATOM 35873 H1 TIP3 17 22.670 49.242 58.456 1.00 0.00 WT3 H ATOM 35874 H2 TIP3 17 23.259 47.851 58.354 1.00 0.00 WT3 H ATOM 35875 OH2 TIP3 18 38.360 71.144 57.586 1.00 0.00 WT3 O ATOM 35876 H1 TIP3 18 38.406 71.657 58.392 1.00 0.00 WT3 H ATOM 35877 H2 TIP3 18 38.722 71.721 56.913 1.00 0.00 WT3 H ATOM 35878 OH2 TIP3 19 76.517 63.670 61.674 1.00 0.00 WT3 O ATOM 35879 H1 TIP3 19 76.376 63.245 60.828 1.00 0.00 WT3 H ATOM 35880 H2 TIP3 19 75.757 63.417 62.198 1.00 0.00 WT3 H ATOM 35881 OH2 TIP3 20 58.673 28.754 40.188 1.00 0.00 WT3 O ATOM 35882 H1 TIP3 20 59.194 28.840 39.389 1.00 0.00 WT3 H ATOM 35883 H2 TIP3 20 58.350 29.639 40.360 1.00 0.00 WT3 H ATOM 35884 OH2 TIP3 21 24.986 83.519 11.303 1.00 0.00 WT3 O ATOM 35885 H1 TIP3 21 24.188 83.091 11.611 1.00 0.00 WT3 H ATOM 35886 H2 TIP3 21 24.843 83.647 10.365 1.00 0.00 WT3 H ATOM 35887 OH2 TIP3 22 76.900 75.578 42.472 1.00 0.00 WT3 O ATOM 35888 H1 TIP3 22 77.744 75.178 42.262 1.00 0.00 WT3 H ATOM 35889 H2 TIP3 22 77.104 76.234 43.139 1.00 0.00 WT3 H ATOM 35890 OH2 TIP3 23 69.791 67.645 45.387 1.00 0.00 WT3 O ATOM 35891 H1 TIP3 23 69.793 68.602 45.354 1.00 0.00 WT3 H ATOM 35892 H2 TIP3 23 70.440 67.381 44.735 1.00 0.00 WT3 H ATOM 35893 OH2 TIP3 24 32.644 70.295 37.781 1.00 0.00 WT3 O ATOM 35894 H1 TIP3 24 32.783 69.394 37.489 1.00 0.00 WT3 H ATOM 35895 H2 TIP3 24 32.536 70.795 36.972 1.00 0.00 WT3 H ATOM 35896 OH2 TIP3 25 64.865 1.810 -13.386 1.00 0.00 WT3 O ATOM 35897 H1 TIP3 25 64.912 0.918 -13.729 1.00 0.00 WT3 H ATOM 35898 H2 TIP3 25 65.306 1.764 -12.537 1.00 0.00 WT3 H ATOM 35899 OH2 TIP3 26 73.608 93.154 7.742 1.00 0.00 WT3 O ATOM 35900 H1 TIP3 26 73.785 93.771 8.452 1.00 0.00 WT3 H ATOM 35901 H2 TIP3 26 74.352 92.551 7.757 1.00 0.00 WT3 H ATOM 35902 OH2 TIP3 27 77.744 71.465 35.961 1.00 0.00 WT3 O ATOM 35903 H1 TIP3 27 78.208 71.685 35.153 1.00 0.00 WT3 H ATOM 35904 H2 TIP3 27 76.825 71.652 35.768 1.00 0.00 WT3 H ATOM 35905 OH2 TIP3 29 30.192 33.493 54.980 1.00 0.00 WT3 O ATOM 35906 H1 TIP3 29 29.914 34.130 55.639 1.00 0.00 WT3 H ATOM 35907 H2 TIP3 29 30.342 34.014 54.191 1.00 0.00 WT3 H ATOM 35908 OH2 TIP3 30 29.497 72.794 29.410 1.00 0.00 WT3 O ATOM 35909 H1 TIP3 30 28.748 72.227 29.591 1.00 0.00 WT3 H ATOM 35910 H2 TIP3 30 29.625 73.289 30.219 1.00 0.00 WT3 H ATOM 35911 OH2 TIP3 31 74.096 78.443 23.646 1.00 0.00 WT3 O ATOM 35912 H1 TIP3 31 73.200 78.441 23.983 1.00 0.00 WT3 H ATOM 35913 H2 TIP3 31 74.635 78.192 24.396 1.00 0.00 WT3 H ATOM 35914 OH2 TIP3 32 77.702 78.117 -10.922 1.00 0.00 WT3 O ATOM 35915 H1 TIP3 32 76.971 77.617 -10.559 1.00 0.00 WT3 H ATOM 35916 H2 TIP3 32 78.311 78.216 -10.190 1.00 0.00 WT3 H ATOM 35917 OH2 TIP3 33 21.525 93.553 51.378 1.00 0.00 WT3 O ATOM 35918 H1 TIP3 33 20.812 94.073 51.749 1.00 0.00 WT3 H ATOM 35919 H2 TIP3 33 21.676 93.934 50.513 1.00 0.00 WT3 H ATOM 35920 OH2 TIP3 34 53.643 33.575 65.223 1.00 0.00 WT3 O ATOM 35921 H1 TIP3 34 54.252 32.915 64.892 1.00 0.00 WT3 H ATOM 35922 H2 TIP3 34 54.128 34.023 65.916 1.00 0.00 WT3 H ATOM 35923 OH2 TIP3 35 40.709 11.208 -6.015 1.00 0.00 WT3 O ATOM 35924 H1 TIP3 35 40.416 11.905 -6.602 1.00 0.00 WT3 H ATOM 35925 H2 TIP3 35 40.585 11.566 -5.136 1.00 0.00 WT3 H ATOM 35926 OH2 TIP3 37 69.963 88.340 43.982 1.00 0.00 WT3 O ATOM 35927 H1 TIP3 37 70.250 88.877 44.721 1.00 0.00 WT3 H ATOM 35928 H2 TIP3 37 69.990 88.932 43.231 1.00 0.00 WT3 H ATOM 35929 OH2 TIP3 39 33.194 92.847 33.320 1.00 0.00 WT3 O ATOM 35930 H1 TIP3 39 32.349 93.041 33.726 1.00 0.00 WT3 H ATOM 35931 H2 TIP3 39 33.515 92.077 33.790 1.00 0.00 WT3 H ATOM 35932 OH2 TIP3 41 51.880 54.107 66.075 1.00 0.00 WT3 O ATOM 35933 H1 TIP3 41 51.116 54.220 66.639 1.00 0.00 WT3 H ATOM 35934 H2 TIP3 41 51.708 53.294 65.598 1.00 0.00 WT3 H ATOM 35935 OH2 TIP3 42 63.431 90.572 45.876 1.00 0.00 WT3 O ATOM 35936 H1 TIP3 42 62.583 90.421 46.294 1.00 0.00 WT3 H ATOM 35937 H2 TIP3 42 63.871 91.203 46.445 1.00 0.00 WT3 H ATOM 35938 OH2 TIP3 43 78.203 94.635 63.494 1.00 0.00 WT3 O ATOM 35939 H1 TIP3 43 78.533 95.358 64.028 1.00 0.00 WT3 H ATOM 35940 H2 TIP3 43 77.297 94.875 63.299 1.00 0.00 WT3 H ATOM 35941 OH2 TIP3 44 90.162 10.951 58.272 1.00 0.00 WT3 O ATOM 35942 H1 TIP3 44 90.676 11.634 58.703 1.00 0.00 WT3 H ATOM 35943 H2 TIP3 44 89.473 10.736 58.900 1.00 0.00 WT3 H ATOM 35944 OH2 TIP3 45 68.229 77.183 34.214 1.00 0.00 WT3 O ATOM 35945 H1 TIP3 45 68.431 77.468 33.323 1.00 0.00 WT3 H ATOM 35946 H2 TIP3 45 67.283 77.042 34.213 1.00 0.00 WT3 H ATOM 35947 OH2 TIP3 46 27.984 4.465 44.598 1.00 0.00 WT3 O ATOM 35948 H1 TIP3 46 28.551 5.221 44.447 1.00 0.00 WT3 H ATOM 35949 H2 TIP3 46 27.684 4.567 45.501 1.00 0.00 WT3 H ATOM 35950 OH2 TIP3 47 88.938 2.725 13.060 1.00 0.00 WT3 O ATOM 35951 H1 TIP3 47 89.761 2.258 12.915 1.00 0.00 WT3 H ATOM 35952 H2 TIP3 47 88.809 2.695 14.008 1.00 0.00 WT3 H ATOM 35953 OH2 TIP3 48 81.673 47.080 7.650 1.00 0.00 WT3 O ATOM 35954 H1 TIP3 48 81.176 47.891 7.546 1.00 0.00 WT3 H ATOM 35955 H2 TIP3 48 82.300 47.088 6.926 1.00 0.00 WT3 H ATOM 35956 OH2 TIP3 50 86.618 69.614 30.387 1.00 0.00 WT3 O ATOM 35957 H1 TIP3 50 85.732 69.965 30.296 1.00 0.00 WT3 H ATOM 35958 H2 TIP3 50 86.573 69.046 31.156 1.00 0.00 WT3 H ATOM 35959 OH2 TIP3 52 48.711 36.297 2.293 1.00 0.00 WT3 O ATOM 35960 H1 TIP3 52 49.063 35.407 2.297 1.00 0.00 WT3 H ATOM 35961 H2 TIP3 52 48.969 36.661 3.140 1.00 0.00 WT3 H ATOM 35962 OH2 TIP3 53 77.439 51.585 53.274 1.00 0.00 WT3 O ATOM 35963 H1 TIP3 53 76.961 51.804 52.474 1.00 0.00 WT3 H ATOM 35964 H2 TIP3 53 78.298 51.293 52.969 1.00 0.00 WT3 H ATOM 35965 OH2 TIP3 55 33.603 66.998 45.681 1.00 0.00 WT3 O ATOM 35966 H1 TIP3 55 33.764 66.241 46.243 1.00 0.00 WT3 H ATOM 35967 H2 TIP3 55 34.327 66.992 45.055 1.00 0.00 WT3 H ATOM 35968 OH2 TIP3 56 77.788 48.596 13.035 1.00 0.00 WT3 O ATOM 35969 H1 TIP3 56 78.675 48.452 12.706 1.00 0.00 WT3 H ATOM 35970 H2 TIP3 56 77.823 49.458 13.451 1.00 0.00 WT3 H ATOM 35971 OH2 TIP3 58 23.976 89.015 25.484 1.00 0.00 WT3 O ATOM 35972 H1 TIP3 58 23.504 89.078 24.654 1.00 0.00 WT3 H ATOM 35973 H2 TIP3 58 23.295 88.847 26.136 1.00 0.00 WT3 H ATOM 35974 OH2 TIP3 59 39.105 0.383 -7.590 1.00 0.00 WT3 O ATOM 35975 H1 TIP3 59 39.365 1.155 -7.087 1.00 0.00 WT3 H ATOM 35976 H2 TIP3 59 38.158 0.324 -7.466 1.00 0.00 WT3 H ATOM 35977 OH2 TIP3 60 45.116 5.430 -18.109 1.00 0.00 WT3 O ATOM 35978 H1 TIP3 60 44.758 5.172 -17.259 1.00 0.00 WT3 H ATOM 35979 H2 TIP3 60 44.696 4.839 -18.735 1.00 0.00 WT3 H ATOM 35980 OH2 TIP3 61 70.567 93.174 65.669 1.00 0.00 WT3 O ATOM 35981 H1 TIP3 61 71.041 93.356 64.858 1.00 0.00 WT3 H ATOM 35982 H2 TIP3 61 70.398 94.038 66.046 1.00 0.00 WT3 H ATOM 35983 OH2 TIP3 62 71.168 68.723 -14.965 1.00 0.00 WT3 O ATOM 35984 H1 TIP3 62 71.804 68.084 -14.643 1.00 0.00 WT3 H ATOM 35985 H2 TIP3 62 70.573 68.214 -15.516 1.00 0.00 WT3 H ATOM 35986 OH2 TIP3 63 27.250 74.541 22.809 1.00 0.00 WT3 O ATOM 35987 H1 TIP3 63 27.514 75.157 22.126 1.00 0.00 WT3 H ATOM 35988 H2 TIP3 63 27.220 73.692 22.368 1.00 0.00 WT3 H ATOM 35989 OH2 TIP3 64 80.302 62.411 -0.392 1.00 0.00 WT3 O ATOM 35990 H1 TIP3 64 80.118 61.833 0.349 1.00 0.00 WT3 H ATOM 35991 H2 TIP3 64 79.595 62.238 -1.013 1.00 0.00 WT3 H ATOM 35992 OH2 TIP3 66 39.646 3.361 -7.501 1.00 0.00 WT3 O ATOM 35993 H1 TIP3 66 39.904 4.026 -6.862 1.00 0.00 WT3 H ATOM 35994 H2 TIP3 66 38.692 3.430 -7.547 1.00 0.00 WT3 H ATOM 35995 OH2 TIP3 67 75.125 54.718 1.209 1.00 0.00 WT3 O ATOM 35996 H1 TIP3 67 74.884 55.531 1.652 1.00 0.00 WT3 H ATOM 35997 H2 TIP3 67 74.524 54.063 1.563 1.00 0.00 WT3 H ATOM 35998 OH2 TIP3 68 65.773 57.452 4.466 1.00 0.00 WT3 O ATOM 35999 H1 TIP3 68 66.217 58.289 4.329 1.00 0.00 WT3 H ATOM 36000 H2 TIP3 68 66.118 57.130 5.299 1.00 0.00 WT3 H ATOM 36001 OH2 TIP3 69 28.485 65.038 47.847 1.00 0.00 WT3 O ATOM 36002 H1 TIP3 69 29.396 65.251 47.646 1.00 0.00 WT3 H ATOM 36003 H2 TIP3 69 28.461 64.964 48.801 1.00 0.00 WT3 H ATOM 36004 OH2 TIP3 70 31.053 82.495 63.452 1.00 0.00 WT3 O ATOM 36005 H1 TIP3 70 31.817 83.055 63.315 1.00 0.00 WT3 H ATOM 36006 H2 TIP3 70 31.395 81.731 63.917 1.00 0.00 WT3 H ATOM 36007 OH2 TIP3 71 33.018 76.789 39.711 1.00 0.00 WT3 O ATOM 36008 H1 TIP3 71 32.672 77.016 40.574 1.00 0.00 WT3 H ATOM 36009 H2 TIP3 71 32.882 75.844 39.640 1.00 0.00 WT3 H ATOM 36010 OH2 TIP3 72 26.372 60.043 49.508 1.00 0.00 WT3 O ATOM 36011 H1 TIP3 72 25.630 60.529 49.147 1.00 0.00 WT3 H ATOM 36012 H2 TIP3 72 26.024 59.625 50.296 1.00 0.00 WT3 H ATOM 36013 OH2 TIP3 74 83.487 71.749 -12.985 1.00 0.00 WT3 O ATOM 36014 H1 TIP3 74 82.871 72.027 -12.307 1.00 0.00 WT3 H ATOM 36015 H2 TIP3 74 84.208 71.345 -12.503 1.00 0.00 WT3 H ATOM 36016 OH2 TIP3 75 89.319 77.527 49.208 1.00 0.00 WT3 O ATOM 36017 H1 TIP3 75 88.517 77.673 49.710 1.00 0.00 WT3 H ATOM 36018 H2 TIP3 75 89.358 76.578 49.089 1.00 0.00 WT3 H ATOM 36019 OH2 TIP3 76 88.371 68.435 -0.689 1.00 0.00 WT3 O ATOM 36020 H1 TIP3 76 87.617 67.932 -0.997 1.00 0.00 WT3 H ATOM 36021 H2 TIP3 76 89.117 68.055 -1.152 1.00 0.00 WT3 H ATOM 36022 OH2 TIP3 78 34.721 69.544 49.026 1.00 0.00 WT3 O ATOM 36023 H1 TIP3 78 34.581 70.489 48.956 1.00 0.00 WT3 H ATOM 36024 H2 TIP3 78 34.110 69.164 48.395 1.00 0.00 WT3 H ATOM 36025 OH2 TIP3 79 42.292 88.385 58.506 1.00 0.00 WT3 O ATOM 36026 H1 TIP3 79 42.537 88.659 59.390 1.00 0.00 WT3 H ATOM 36027 H2 TIP3 79 41.878 87.531 58.626 1.00 0.00 WT3 H ATOM 36028 OH2 TIP3 80 80.518 57.414 4.145 1.00 0.00 WT3 O ATOM 36029 H1 TIP3 80 79.857 56.764 4.381 1.00 0.00 WT3 H ATOM 36030 H2 TIP3 80 81.347 57.027 4.429 1.00 0.00 WT3 H ATOM 36031 OH2 TIP3 81 49.374 5.892 49.599 1.00 0.00 WT3 O ATOM 36032 H1 TIP3 81 49.229 5.457 48.759 1.00 0.00 WT3 H ATOM 36033 H2 TIP3 81 48.576 6.400 49.747 1.00 0.00 WT3 H ATOM 36034 OH2 TIP3 82 54.386 31.432 31.365 1.00 0.00 WT3 O ATOM 36035 H1 TIP3 82 54.825 30.878 32.010 1.00 0.00 WT3 H ATOM 36036 H2 TIP3 82 53.480 31.484 31.671 1.00 0.00 WT3 H ATOM 36037 OH2 TIP3 83 77.552 22.459 2.147 1.00 0.00 WT3 O ATOM 36038 H1 TIP3 83 77.543 21.898 1.371 1.00 0.00 WT3 H ATOM 36039 H2 TIP3 83 78.475 22.680 2.273 1.00 0.00 WT3 H ATOM 36040 OH2 TIP3 84 40.513 95.909 15.974 1.00 0.00 WT3 O ATOM 36041 H1 TIP3 84 39.864 95.428 16.487 1.00 0.00 WT3 H ATOM 36042 H2 TIP3 84 40.824 95.277 15.326 1.00 0.00 WT3 H ATOM 36043 OH2 TIP3 86 76.309 3.846 -18.039 1.00 0.00 WT3 O ATOM 36044 H1 TIP3 86 76.632 4.283 -17.251 1.00 0.00 WT3 H ATOM 36045 H2 TIP3 86 75.844 4.531 -18.519 1.00 0.00 WT3 H ATOM 36046 OH2 TIP3 87 73.739 65.388 51.198 1.00 0.00 WT3 O ATOM 36047 H1 TIP3 87 73.183 65.736 50.501 1.00 0.00 WT3 H ATOM 36048 H2 TIP3 87 74.380 66.080 51.363 1.00 0.00 WT3 H ATOM 36049 OH2 TIP3 88 39.972 68.110 -5.564 1.00 0.00 WT3 O ATOM 36050 H1 TIP3 88 39.452 68.013 -4.767 1.00 0.00 WT3 H ATOM 36051 H2 TIP3 88 39.845 67.286 -6.035 1.00 0.00 WT3 H ATOM 36052 OH2 TIP3 90 73.086 89.216 62.075 1.00 0.00 WT3 O ATOM 36053 H1 TIP3 90 72.785 88.400 62.475 1.00 0.00 WT3 H ATOM 36054 H2 TIP3 90 73.320 89.774 62.817 1.00 0.00 WT3 H ATOM 36055 OH2 TIP3 91 60.852 87.436 -4.312 1.00 0.00 WT3 O ATOM 36056 H1 TIP3 91 59.926 87.205 -4.232 1.00 0.00 WT3 H ATOM 36057 H2 TIP3 91 60.850 88.270 -4.782 1.00 0.00 WT3 H ATOM 36058 OH2 TIP3 92 48.398 34.735 11.951 1.00 0.00 WT3 O ATOM 36059 H1 TIP3 92 49.118 34.138 12.153 1.00 0.00 WT3 H ATOM 36060 H2 TIP3 92 47.874 34.758 12.752 1.00 0.00 WT3 H ATOM 36061 OH2 TIP3 93 65.023 15.332 -1.493 1.00 0.00 WT3 O ATOM 36062 H1 TIP3 93 65.397 16.134 -1.128 1.00 0.00 WT3 H ATOM 36063 H2 TIP3 93 64.234 15.622 -1.951 1.00 0.00 WT3 H ATOM 36064 OH2 TIP3 94 37.339 64.658 60.688 1.00 0.00 WT3 O ATOM 36065 H1 TIP3 94 37.993 65.356 60.683 1.00 0.00 WT3 H ATOM 36066 H2 TIP3 94 36.727 64.897 59.992 1.00 0.00 WT3 H ATOM 36067 OH2 TIP3 95 31.003 17.575 -13.049 1.00 0.00 WT3 O ATOM 36068 H1 TIP3 95 30.494 17.157 -12.355 1.00 0.00 WT3 H ATOM 36069 H2 TIP3 95 31.176 16.873 -13.677 1.00 0.00 WT3 H ATOM 36070 OH2 TIP3 97 33.065 22.596 5.692 1.00 0.00 WT3 O ATOM 36071 H1 TIP3 97 32.945 21.646 5.701 1.00 0.00 WT3 H ATOM 36072 H2 TIP3 97 32.937 22.845 4.777 1.00 0.00 WT3 H ATOM 36073 OH2 TIP3 98 69.224 79.134 29.170 1.00 0.00 WT3 O ATOM 36074 H1 TIP3 98 68.671 78.542 29.680 1.00 0.00 WT3 H ATOM 36075 H2 TIP3 98 70.061 79.140 29.634 1.00 0.00 WT3 H ATOM 36076 OH2 TIP3 99 88.131 90.864 15.424 1.00 0.00 WT3 O ATOM 36077 H1 TIP3 99 87.731 91.733 15.409 1.00 0.00 WT3 H ATOM 36078 H2 TIP3 99 87.915 90.515 16.289 1.00 0.00 WT3 H ATOM 36079 OH2 TIP3 100 72.651 23.284 -15.923 1.00 0.00 WT3 O ATOM 36080 H1 TIP3 100 72.791 22.687 -16.658 1.00 0.00 WT3 H ATOM 36081 H2 TIP3 100 72.928 24.139 -16.252 1.00 0.00 WT3 H ATOM 36082 OH2 TIP3 101 72.915 76.200 -17.088 1.00 0.00 WT3 O ATOM 36083 H1 TIP3 101 72.425 75.437 -17.396 1.00 0.00 WT3 H ATOM 36084 H2 TIP3 101 72.750 76.873 -17.748 1.00 0.00 WT3 H ATOM 36085 OH2 TIP3 102 31.003 19.541 32.602 1.00 0.00 WT3 O ATOM 36086 H1 TIP3 102 31.506 20.244 32.193 1.00 0.00 WT3 H ATOM 36087 H2 TIP3 102 30.547 19.964 33.329 1.00 0.00 WT3 H ATOM 36088 OH2 TIP3 104 64.192 10.114 12.212 1.00 0.00 WT3 O ATOM 36089 H1 TIP3 104 63.544 10.473 12.819 1.00 0.00 WT3 H ATOM 36090 H2 TIP3 104 64.827 10.821 12.094 1.00 0.00 WT3 H ATOM 36091 OH2 TIP3 105 46.487 82.019 -13.864 1.00 0.00 WT3 O ATOM 36092 H1 TIP3 105 47.378 81.672 -13.917 1.00 0.00 WT3 H ATOM 36093 H2 TIP3 105 46.043 81.445 -13.240 1.00 0.00 WT3 H ATOM 36094 OH2 TIP3 106 75.052 87.809 23.877 1.00 0.00 WT3 O ATOM 36095 H1 TIP3 106 75.585 87.733 24.669 1.00 0.00 WT3 H ATOM 36096 H2 TIP3 106 74.476 87.044 23.903 1.00 0.00 WT3 H ATOM 36097 OH2 TIP3 107 81.119 51.769 58.875 1.00 0.00 WT3 O ATOM 36098 H1 TIP3 107 81.356 51.513 57.983 1.00 0.00 WT3 H ATOM 36099 H2 TIP3 107 80.351 52.330 58.767 1.00 0.00 WT3 H ATOM 36100 OH2 TIP3 108 34.841 35.637 59.676 1.00 0.00 WT3 O ATOM 36101 H1 TIP3 108 35.519 34.981 59.511 1.00 0.00 WT3 H ATOM 36102 H2 TIP3 108 35.275 36.475 59.515 1.00 0.00 WT3 H ATOM 36103 OH2 TIP3 109 29.669 57.089 27.914 1.00 0.00 WT3 O ATOM 36104 H1 TIP3 109 30.347 56.414 27.956 1.00 0.00 WT3 H ATOM 36105 H2 TIP3 109 30.068 57.856 28.325 1.00 0.00 WT3 H ATOM 36106 OH2 TIP3 110 83.732 84.052 -2.217 1.00 0.00 WT3 O ATOM 36107 H1 TIP3 110 84.297 84.589 -1.660 1.00 0.00 WT3 H ATOM 36108 H2 TIP3 110 83.882 83.155 -1.916 1.00 0.00 WT3 H ATOM 36109 OH2 TIP3 111 36.333 11.758 -2.813 1.00 0.00 WT3 O ATOM 36110 H1 TIP3 111 37.189 12.067 -2.516 1.00 0.00 WT3 H ATOM 36111 H2 TIP3 111 36.319 11.956 -3.750 1.00 0.00 WT3 H ATOM 36112 OH2 TIP3 112 46.855 54.988 65.193 1.00 0.00 WT3 O ATOM 36113 H1 TIP3 112 47.361 55.794 65.293 1.00 0.00 WT3 H ATOM 36114 H2 TIP3 112 46.548 54.787 66.077 1.00 0.00 WT3 H ATOM 36115 OH2 TIP3 113 41.472 36.822 27.024 1.00 0.00 WT3 O ATOM 36116 H1 TIP3 113 42.031 36.471 27.718 1.00 0.00 WT3 H ATOM 36117 H2 TIP3 113 41.851 36.480 26.214 1.00 0.00 WT3 H ATOM 36118 OH2 TIP3 114 87.700 87.979 63.491 1.00 0.00 WT3 O ATOM 36119 H1 TIP3 114 87.793 87.138 63.045 1.00 0.00 WT3 H ATOM 36120 H2 TIP3 114 87.244 87.769 64.306 1.00 0.00 WT3 H ATOM 36121 OH2 TIP3 115 71.003 69.739 12.934 1.00 0.00 WT3 O ATOM 36122 H1 TIP3 115 70.933 70.155 13.793 1.00 0.00 WT3 H ATOM 36123 H2 TIP3 115 70.482 68.940 13.011 1.00 0.00 WT3 H ATOM 36124 OH2 TIP3 118 70.226 53.017 37.171 1.00 0.00 WT3 O ATOM 36125 H1 TIP3 118 69.587 52.927 37.878 1.00 0.00 WT3 H ATOM 36126 H2 TIP3 118 69.841 53.664 36.580 1.00 0.00 WT3 H ATOM 36127 OH2 TIP3 119 60.813 66.548 -14.170 1.00 0.00 WT3 O ATOM 36128 H1 TIP3 119 60.964 67.483 -14.311 1.00 0.00 WT3 H ATOM 36129 H2 TIP3 119 59.864 66.444 -14.242 1.00 0.00 WT3 H ATOM 36130 OH2 TIP3 120 85.090 79.711 50.672 1.00 0.00 WT3 O ATOM 36131 H1 TIP3 120 84.829 80.242 49.920 1.00 0.00 WT3 H ATOM 36132 H2 TIP3 120 85.513 78.943 50.289 1.00 0.00 WT3 H ATOM 36133 OH2 TIP3 121 66.804 50.319 27.164 1.00 0.00 WT3 O ATOM 36134 H1 TIP3 121 67.089 50.949 26.502 1.00 0.00 WT3 H ATOM 36135 H2 TIP3 121 65.890 50.546 27.333 1.00 0.00 WT3 H ATOM 36136 OH2 TIP3 122 84.578 87.657 37.213 1.00 0.00 WT3 O ATOM 36137 H1 TIP3 122 83.750 87.550 36.745 1.00 0.00 WT3 H ATOM 36138 H2 TIP3 122 84.536 88.542 37.575 1.00 0.00 WT3 H ATOM 36139 OH2 TIP3 124 64.613 62.396 -9.823 1.00 0.00 WT3 O ATOM 36140 H1 TIP3 124 64.375 62.251 -8.907 1.00 0.00 WT3 H ATOM 36141 H2 TIP3 124 64.183 61.684 -10.298 1.00 0.00 WT3 H ATOM 36142 OH2 TIP3 125 71.893 64.763 5.489 1.00 0.00 WT3 O ATOM 36143 H1 TIP3 125 71.000 65.040 5.287 1.00 0.00 WT3 H ATOM 36144 H2 TIP3 125 72.396 64.983 4.705 1.00 0.00 WT3 H ATOM 36145 OH2 TIP3 126 85.422 80.108 58.235 1.00 0.00 WT3 O ATOM 36146 H1 TIP3 126 86.163 80.713 58.184 1.00 0.00 WT3 H ATOM 36147 H2 TIP3 126 84.855 80.361 57.506 1.00 0.00 WT3 H ATOM 36148 OH2 TIP3 127 37.970 68.935 51.918 1.00 0.00 WT3 O ATOM 36149 H1 TIP3 127 38.520 69.692 51.716 1.00 0.00 WT3 H ATOM 36150 H2 TIP3 127 37.998 68.399 51.126 1.00 0.00 WT3 H ATOM 36151 OH2 TIP3 128 47.710 4.230 -19.444 1.00 0.00 WT3 O ATOM 36152 H1 TIP3 128 46.928 4.733 -19.214 1.00 0.00 WT3 H ATOM 36153 H2 TIP3 128 48.301 4.352 -18.700 1.00 0.00 WT3 H ATOM 36154 OH2 TIP3 129 42.401 63.141 51.182 1.00 0.00 WT3 O ATOM 36155 H1 TIP3 129 42.876 63.679 50.548 1.00 0.00 WT3 H ATOM 36156 H2 TIP3 129 42.108 62.381 50.680 1.00 0.00 WT3 H ATOM 36157 OH2 TIP3 130 52.820 15.382 21.507 1.00 0.00 WT3 O ATOM 36158 H1 TIP3 130 53.271 15.493 20.670 1.00 0.00 WT3 H ATOM 36159 H2 TIP3 130 53.387 15.815 22.145 1.00 0.00 WT3 H ATOM 36160 OH2 TIP3 131 26.887 0.561 18.756 1.00 0.00 WT3 O ATOM 36161 H1 TIP3 131 27.048 -0.284 18.336 1.00 0.00 WT3 H ATOM 36162 H2 TIP3 131 26.895 1.192 18.036 1.00 0.00 WT3 H ATOM 36163 OH2 TIP3 132 66.184 2.087 -10.632 1.00 0.00 WT3 O ATOM 36164 H1 TIP3 132 65.234 1.974 -10.620 1.00 0.00 WT3 H ATOM 36165 H2 TIP3 132 66.532 1.195 -10.606 1.00 0.00 WT3 H ATOM 36166 OH2 TIP3 133 32.471 57.995 62.091 1.00 0.00 WT3 O ATOM 36167 H1 TIP3 133 31.772 58.060 62.741 1.00 0.00 WT3 H ATOM 36168 H2 TIP3 133 32.018 57.791 61.272 1.00 0.00 WT3 H ATOM 36169 OH2 TIP3 134 90.068 91.395 -19.135 1.00 0.00 WT3 O ATOM 36170 H1 TIP3 134 89.250 91.831 -18.898 1.00 0.00 WT3 H ATOM 36171 H2 TIP3 134 90.665 92.108 -19.360 1.00 0.00 WT3 H ATOM 36172 OH2 TIP3 135 53.035 93.349 47.158 1.00 0.00 WT3 O ATOM 36173 H1 TIP3 135 53.633 94.041 46.875 1.00 0.00 WT3 H ATOM 36174 H2 TIP3 135 52.191 93.591 46.776 1.00 0.00 WT3 H ATOM 36175 OH2 TIP3 136 79.700 84.541 30.544 1.00 0.00 WT3 O ATOM 36176 H1 TIP3 136 79.887 85.011 29.731 1.00 0.00 WT3 H ATOM 36177 H2 TIP3 136 79.534 85.230 31.187 1.00 0.00 WT3 H ATOM 36178 OH2 TIP3 137 51.413 6.903 55.351 1.00 0.00 WT3 O ATOM 36179 H1 TIP3 137 52.024 7.543 55.716 1.00 0.00 WT3 H ATOM 36180 H2 TIP3 137 50.554 7.184 55.667 1.00 0.00 WT3 H ATOM 36181 OH2 TIP3 138 69.130 31.788 17.513 1.00 0.00 WT3 O ATOM 36182 H1 TIP3 138 68.538 32.371 17.987 1.00 0.00 WT3 H ATOM 36183 H2 TIP3 138 69.626 31.341 18.199 1.00 0.00 WT3 H ATOM 36184 OH2 TIP3 139 24.636 76.109 13.131 1.00 0.00 WT3 O ATOM 36185 H1 TIP3 139 24.356 76.057 14.045 1.00 0.00 WT3 H ATOM 36186 H2 TIP3 139 24.320 76.961 12.831 1.00 0.00 WT3 H ATOM 36187 OH2 TIP3 140 30.667 49.699 21.312 1.00 0.00 WT3 O ATOM 36188 H1 TIP3 140 31.134 49.747 22.147 1.00 0.00 WT3 H ATOM 36189 H2 TIP3 140 31.312 49.351 20.696 1.00 0.00 WT3 H ATOM 36190 OH2 TIP3 141 78.427 85.305 34.954 1.00 0.00 WT3 O ATOM 36191 H1 TIP3 141 77.620 85.435 35.453 1.00 0.00 WT3 H ATOM 36192 H2 TIP3 141 78.728 86.191 34.750 1.00 0.00 WT3 H ATOM 36193 OH2 TIP3 142 82.242 93.504 23.269 1.00 0.00 WT3 O ATOM 36194 H1 TIP3 142 81.714 93.094 22.584 1.00 0.00 WT3 H ATOM 36195 H2 TIP3 142 81.690 94.209 23.607 1.00 0.00 WT3 H ATOM 36196 OH2 TIP3 143 40.439 72.936 52.037 1.00 0.00 WT3 O ATOM 36197 H1 TIP3 143 40.156 72.066 52.318 1.00 0.00 WT3 H ATOM 36198 H2 TIP3 143 40.598 72.845 51.097 1.00 0.00 WT3 H ATOM 36199 OH2 TIP3 144 62.741 90.728 61.716 1.00 0.00 WT3 O ATOM 36200 H1 TIP3 144 62.151 90.945 60.994 1.00 0.00 WT3 H ATOM 36201 H2 TIP3 144 63.215 89.953 61.414 1.00 0.00 WT3 H ATOM 36202 OH2 TIP3 145 68.698 68.689 2.333 1.00 0.00 WT3 O ATOM 36203 H1 TIP3 145 68.321 69.361 2.901 1.00 0.00 WT3 H ATOM 36204 H2 TIP3 145 68.027 68.532 1.669 1.00 0.00 WT3 H ATOM 36205 OH2 TIP3 147 47.534 87.767 21.268 1.00 0.00 WT3 O ATOM 36206 H1 TIP3 147 48.476 87.627 21.177 1.00 0.00 WT3 H ATOM 36207 H2 TIP3 147 47.138 87.141 20.662 1.00 0.00 WT3 H ATOM 36208 OH2 TIP3 148 32.558 0.910 42.894 1.00 0.00 WT3 O ATOM 36209 H1 TIP3 148 32.034 0.109 42.879 1.00 0.00 WT3 H ATOM 36210 H2 TIP3 148 32.129 1.488 42.264 1.00 0.00 WT3 H ATOM 36211 OH2 TIP3 149 86.064 83.395 -15.508 1.00 0.00 WT3 O ATOM 36212 H1 TIP3 149 85.254 82.929 -15.298 1.00 0.00 WT3 H ATOM 36213 H2 TIP3 149 86.732 82.710 -15.543 1.00 0.00 WT3 H ATOM 36214 OH2 TIP3 150 44.756 64.773 -19.083 1.00 0.00 WT3 O ATOM 36215 H1 TIP3 150 44.913 65.695 -19.288 1.00 0.00 WT3 H ATOM 36216 H2 TIP3 150 45.515 64.314 -19.443 1.00 0.00 WT3 H ATOM 36217 OH2 TIP3 151 42.872 55.732 -13.882 1.00 0.00 WT3 O ATOM 36218 H1 TIP3 151 43.608 56.138 -14.339 1.00 0.00 WT3 H ATOM 36219 H2 TIP3 151 43.278 55.121 -13.268 1.00 0.00 WT3 H ATOM 36220 OH2 TIP3 152 80.639 59.288 -9.898 1.00 0.00 WT3 O ATOM 36221 H1 TIP3 152 80.058 59.532 -9.178 1.00 0.00 WT3 H ATOM 36222 H2 TIP3 152 80.730 58.338 -9.821 1.00 0.00 WT3 H ATOM 36223 OH2 TIP3 154 29.838 74.436 31.377 1.00 0.00 WT3 O ATOM 36224 H1 TIP3 154 29.068 74.913 31.687 1.00 0.00 WT3 H ATOM 36225 H2 TIP3 154 30.541 75.085 31.386 1.00 0.00 WT3 H ATOM 36226 OH2 TIP3 155 81.814 80.642 28.900 1.00 0.00 WT3 O ATOM 36227 H1 TIP3 155 82.271 81.386 28.509 1.00 0.00 WT3 H ATOM 36228 H2 TIP3 155 80.980 80.600 28.431 1.00 0.00 WT3 H ATOM 36229 OH2 TIP3 156 90.620 57.708 -17.730 1.00 0.00 WT3 O ATOM 36230 H1 TIP3 156 89.707 57.422 -17.767 1.00 0.00 WT3 H ATOM 36231 H2 TIP3 156 90.577 58.605 -17.400 1.00 0.00 WT3 H ATOM 36232 OH2 TIP3 157 35.838 26.607 -4.053 1.00 0.00 WT3 O ATOM 36233 H1 TIP3 157 35.435 27.321 -3.560 1.00 0.00 WT3 H ATOM 36234 H2 TIP3 157 36.582 26.335 -3.516 1.00 0.00 WT3 H ATOM 36235 OH2 TIP3 158 30.259 61.325 13.321 1.00 0.00 WT3 O ATOM 36236 H1 TIP3 158 31.110 61.199 12.900 1.00 0.00 WT3 H ATOM 36237 H2 TIP3 158 30.391 61.028 14.222 1.00 0.00 WT3 H ATOM 36238 OH2 TIP3 159 64.679 65.182 36.900 1.00 0.00 WT3 O ATOM 36239 H1 TIP3 159 64.498 65.536 37.770 1.00 0.00 WT3 H ATOM 36240 H2 TIP3 159 64.582 64.235 37.001 1.00 0.00 WT3 H ATOM 36241 OH2 TIP3 160 61.185 74.927 48.690 1.00 0.00 WT3 O ATOM 36242 H1 TIP3 160 61.735 74.461 48.060 1.00 0.00 WT3 H ATOM 36243 H2 TIP3 160 60.602 75.461 48.150 1.00 0.00 WT3 H ATOM 36244 OH2 TIP3 161 72.194 33.746 -7.681 1.00 0.00 WT3 O ATOM 36245 H1 TIP3 161 72.580 34.200 -8.430 1.00 0.00 WT3 H ATOM 36246 H2 TIP3 161 72.283 32.817 -7.892 1.00 0.00 WT3 H ATOM 36247 OH2 TIP3 162 84.395 33.167 15.170 1.00 0.00 WT3 O ATOM 36248 H1 TIP3 162 83.831 33.856 14.818 1.00 0.00 WT3 H ATOM 36249 H2 TIP3 162 83.810 32.420 15.297 1.00 0.00 WT3 H ATOM 36250 OH2 TIP3 164 45.822 17.150 -7.948 1.00 0.00 WT3 O ATOM 36251 H1 TIP3 164 45.329 17.616 -8.623 1.00 0.00 WT3 H ATOM 36252 H2 TIP3 164 45.236 17.134 -7.191 1.00 0.00 WT3 H ATOM 36253 OH2 TIP3 165 23.755 40.554 44.617 1.00 0.00 WT3 O ATOM 36254 H1 TIP3 165 23.956 41.441 44.320 1.00 0.00 WT3 H ATOM 36255 H2 TIP3 165 23.590 40.063 43.812 1.00 0.00 WT3 H ATOM 36256 OH2 TIP3 166 28.148 20.374 -10.148 1.00 0.00 WT3 O ATOM 36257 H1 TIP3 166 27.791 19.503 -9.977 1.00 0.00 WT3 H ATOM 36258 H2 TIP3 166 29.083 20.226 -10.292 1.00 0.00 WT3 H ATOM 36259 OH2 TIP3 167 45.049 72.894 58.892 1.00 0.00 WT3 O ATOM 36260 H1 TIP3 167 44.740 73.729 58.539 1.00 0.00 WT3 H ATOM 36261 H2 TIP3 167 44.249 72.418 59.115 1.00 0.00 WT3 H ATOM 36262 OH2 TIP3 169 50.239 56.282 59.842 1.00 0.00 WT3 O ATOM 36263 H1 TIP3 169 51.092 56.625 60.109 1.00 0.00 WT3 H ATOM 36264 H2 TIP3 169 50.204 56.432 58.898 1.00 0.00 WT3 H ATOM 36265 OH2 TIP3 171 40.668 41.246 -10.220 1.00 0.00 WT3 O ATOM 36266 H1 TIP3 171 41.542 41.094 -9.859 1.00 0.00 WT3 H ATOM 36267 H2 TIP3 171 40.087 41.221 -9.460 1.00 0.00 WT3 H ATOM 36268 OH2 TIP3 176 67.827 70.510 36.242 1.00 0.00 WT3 O ATOM 36269 H1 TIP3 176 67.927 69.916 35.498 1.00 0.00 WT3 H ATOM 36270 H2 TIP3 176 67.249 70.044 36.846 1.00 0.00 WT3 H ATOM 36271 OH2 TIP3 177 86.151 2.581 57.548 1.00 0.00 WT3 O ATOM 36272 H1 TIP3 177 86.557 3.397 57.254 1.00 0.00 WT3 H ATOM 36273 H2 TIP3 177 86.839 2.135 58.041 1.00 0.00 WT3 H ATOM 36274 OH2 TIP3 180 79.038 61.305 -14.336 1.00 0.00 WT3 O ATOM 36275 H1 TIP3 180 78.480 62.081 -14.289 1.00 0.00 WT3 H ATOM 36276 H2 TIP3 180 79.688 61.516 -15.006 1.00 0.00 WT3 H ATOM 36277 OH2 TIP3 182 23.870 33.695 30.988 1.00 0.00 WT3 O ATOM 36278 H1 TIP3 182 23.889 34.612 31.261 1.00 0.00 WT3 H ATOM 36279 H2 TIP3 182 24.493 33.648 30.262 1.00 0.00 WT3 H ATOM 36280 OH2 TIP3 183 44.442 74.326 27.902 1.00 0.00 WT3 O ATOM 36281 H1 TIP3 183 44.813 74.578 27.057 1.00 0.00 WT3 H ATOM 36282 H2 TIP3 183 45.182 73.967 28.392 1.00 0.00 WT3 H ATOM 36283 OH2 TIP3 184 52.766 90.435 -10.889 1.00 0.00 WT3 O ATOM 36284 H1 TIP3 184 52.243 89.904 -10.289 1.00 0.00 WT3 H ATOM 36285 H2 TIP3 184 53.584 90.594 -10.417 1.00 0.00 WT3 H ATOM 36286 OH2 TIP3 186 61.876 85.240 -17.454 1.00 0.00 WT3 O ATOM 36287 H1 TIP3 186 62.804 85.440 -17.576 1.00 0.00 WT3 H ATOM 36288 H2 TIP3 186 61.583 85.857 -16.783 1.00 0.00 WT3 H ATOM 36289 OH2 TIP3 187 33.430 61.598 22.466 1.00 0.00 WT3 O ATOM 36290 H1 TIP3 187 34.160 62.109 22.814 1.00 0.00 WT3 H ATOM 36291 H2 TIP3 187 32.813 62.252 22.138 1.00 0.00 WT3 H ATOM 36292 OH2 TIP3 188 23.414 52.592 -4.964 1.00 0.00 WT3 O ATOM 36293 H1 TIP3 188 23.806 51.751 -4.729 1.00 0.00 WT3 H ATOM 36294 H2 TIP3 188 22.884 52.403 -5.738 1.00 0.00 WT3 H ATOM 36295 OH2 TIP3 192 70.352 23.493 -2.802 1.00 0.00 WT3 O ATOM 36296 H1 TIP3 192 70.613 22.713 -2.313 1.00 0.00 WT3 H ATOM 36297 H2 TIP3 192 71.167 23.976 -2.937 1.00 0.00 WT3 H ATOM 36298 OH2 TIP3 193 61.333 33.738 3.171 1.00 0.00 WT3 O ATOM 36299 H1 TIP3 193 61.715 34.586 2.946 1.00 0.00 WT3 H ATOM 36300 H2 TIP3 193 60.553 33.953 3.681 1.00 0.00 WT3 H ATOM 36301 OH2 TIP3 197 42.597 75.292 63.195 1.00 0.00 WT3 O ATOM 36302 H1 TIP3 197 43.013 74.889 62.432 1.00 0.00 WT3 H ATOM 36303 H2 TIP3 197 42.667 76.234 63.037 1.00 0.00 WT3 H ATOM 36304 OH2 TIP3 200 59.460 28.525 35.491 1.00 0.00 WT3 O ATOM 36305 H1 TIP3 200 59.636 29.300 34.958 1.00 0.00 WT3 H ATOM 36306 H2 TIP3 200 58.596 28.229 35.205 1.00 0.00 WT3 H ATOM 36307 OH2 TIP3 201 55.922 -0.276 11.496 1.00 0.00 WT3 O ATOM 36308 H1 TIP3 201 55.726 0.603 11.172 1.00 0.00 WT3 H ATOM 36309 H2 TIP3 201 56.580 -0.140 12.178 1.00 0.00 WT3 H ATOM 36310 OH2 TIP3 203 72.726 64.338 54.804 1.00 0.00 WT3 O ATOM 36311 H1 TIP3 203 73.426 64.787 55.278 1.00 0.00 WT3 H ATOM 36312 H2 TIP3 203 72.340 65.015 54.248 1.00 0.00 WT3 H ATOM 36313 OH2 TIP3 204 44.093 10.397 23.898 1.00 0.00 WT3 O ATOM 36314 H1 TIP3 204 44.823 9.778 23.889 1.00 0.00 WT3 H ATOM 36315 H2 TIP3 204 43.801 10.438 22.987 1.00 0.00 WT3 H ATOM 36316 OH2 TIP3 210 71.413 51.931 34.492 1.00 0.00 WT3 O ATOM 36317 H1 TIP3 210 70.577 52.118 34.065 1.00 0.00 WT3 H ATOM 36318 H2 TIP3 210 71.282 51.083 34.916 1.00 0.00 WT3 H ATOM 36319 OH2 TIP3 212 88.337 75.358 6.359 1.00 0.00 WT3 O ATOM 36320 H1 TIP3 212 88.723 74.643 5.852 1.00 0.00 WT3 H ATOM 36321 H2 TIP3 212 88.912 75.451 7.119 1.00 0.00 WT3 H ATOM 36322 OH2 TIP3 215 55.929 43.670 49.255 1.00 0.00 WT3 O ATOM 36323 H1 TIP3 215 56.204 44.369 49.849 1.00 0.00 WT3 H ATOM 36324 H2 TIP3 215 55.114 43.341 49.634 1.00 0.00 WT3 H ATOM 36325 OH2 TIP3 221 87.445 58.349 27.076 1.00 0.00 WT3 O ATOM 36326 H1 TIP3 221 87.831 57.719 27.684 1.00 0.00 WT3 H ATOM 36327 H2 TIP3 221 88.102 58.450 26.386 1.00 0.00 WT3 H ATOM 36328 OH2 TIP3 223 68.275 51.334 41.649 1.00 0.00 WT3 O ATOM 36329 H1 TIP3 223 67.451 51.785 41.831 1.00 0.00 WT3 H ATOM 36330 H2 TIP3 223 68.138 50.919 40.797 1.00 0.00 WT3 H ATOM 36331 OH2 TIP3 225 66.660 40.018 -0.720 1.00 0.00 WT3 O ATOM 36332 H1 TIP3 225 67.594 39.974 -0.925 1.00 0.00 WT3 H ATOM 36333 H2 TIP3 225 66.321 40.705 -1.294 1.00 0.00 WT3 H ATOM 36334 OH2 TIP3 232 52.565 0.767 32.560 1.00 0.00 WT3 O ATOM 36335 H1 TIP3 232 52.906 1.334 31.869 1.00 0.00 WT3 H ATOM 36336 H2 TIP3 232 51.659 0.594 32.304 1.00 0.00 WT3 H ATOM 36337 OH2 TIP3 234 79.341 94.063 3.867 1.00 0.00 WT3 O ATOM 36338 H1 TIP3 234 79.985 93.441 3.530 1.00 0.00 WT3 H ATOM 36339 H2 TIP3 234 78.920 94.420 3.085 1.00 0.00 WT3 H ATOM 36340 OH2 TIP3 236 67.874 76.254 -4.749 1.00 0.00 WT3 O ATOM 36341 H1 TIP3 236 68.813 76.209 -4.571 1.00 0.00 WT3 H ATOM 36342 H2 TIP3 236 67.732 75.621 -5.453 1.00 0.00 WT3 H ATOM 36343 OH2 TIP3 237 35.671 22.422 38.798 1.00 0.00 WT3 O ATOM 36344 H1 TIP3 237 35.505 23.363 38.736 1.00 0.00 WT3 H ATOM 36345 H2 TIP3 237 35.740 22.130 37.890 1.00 0.00 WT3 H ATOM 36346 OH2 TIP3 239 43.556 74.594 -4.939 1.00 0.00 WT3 O ATOM 36347 H1 TIP3 239 43.453 74.827 -4.016 1.00 0.00 WT3 H ATOM 36348 H2 TIP3 239 44.494 74.686 -5.107 1.00 0.00 WT3 H ATOM 36349 OH2 TIP3 241 20.504 2.264 66.229 1.00 0.00 WT3 O ATOM 36350 H1 TIP3 241 20.890 1.393 66.317 1.00 0.00 WT3 H ATOM 36351 H2 TIP3 241 19.577 2.099 66.057 1.00 0.00 WT3 H ATOM 36352 OH2 TIP3 245 64.234 62.231 36.937 1.00 0.00 WT3 O ATOM 36353 H1 TIP3 245 64.008 62.032 37.846 1.00 0.00 WT3 H ATOM 36354 H2 TIP3 245 63.413 62.124 36.457 1.00 0.00 WT3 H ATOM 36355 OH2 TIP3 256 44.084 86.624 -19.015 1.00 0.00 WT3 O ATOM 36356 H1 TIP3 256 44.728 86.306 -19.648 1.00 0.00 WT3 H ATOM 36357 H2 TIP3 256 43.586 85.844 -18.767 1.00 0.00 WT3 H ATOM 36358 OH2 TIP3 261 77.071 31.194 -14.751 1.00 0.00 WT3 O ATOM 36359 H1 TIP3 261 76.756 30.943 -15.619 1.00 0.00 WT3 H ATOM 36360 H2 TIP3 261 77.451 30.393 -14.392 1.00 0.00 WT3 H ATOM 36361 OH2 TIP3 268 88.150 73.143 39.472 1.00 0.00 WT3 O ATOM 36362 H1 TIP3 268 87.358 72.689 39.183 1.00 0.00 WT3 H ATOM 36363 H2 TIP3 268 88.576 72.526 40.067 1.00 0.00 WT3 H ATOM 36364 OH2 TIP3 270 35.436 93.510 9.456 1.00 0.00 WT3 O ATOM 36365 H1 TIP3 270 35.428 93.445 10.411 1.00 0.00 WT3 H ATOM 36366 H2 TIP3 270 34.967 92.731 9.158 1.00 0.00 WT3 H ATOM 36367 OH2 TIP3 272 75.213 70.003 53.689 1.00 0.00 WT3 O ATOM 36368 H1 TIP3 272 74.438 69.942 53.130 1.00 0.00 WT3 H ATOM 36369 H2 TIP3 272 75.763 69.269 53.418 1.00 0.00 WT3 H ATOM 36370 OH2 TIP3 282 46.461 85.333 2.713 1.00 0.00 WT3 O ATOM 36371 H1 TIP3 282 45.862 85.867 2.191 1.00 0.00 WT3 H ATOM 36372 H2 TIP3 282 46.705 85.895 3.448 1.00 0.00 WT3 H ATOM 36373 OH2 TIP3 287 79.118 44.855 37.831 1.00 0.00 WT3 O ATOM 36374 H1 TIP3 287 78.798 44.644 36.954 1.00 0.00 WT3 H ATOM 36375 H2 TIP3 287 79.386 44.013 38.198 1.00 0.00 WT3 H ATOM 36376 OH2 TIP3 290 69.239 59.727 -0.430 1.00 0.00 WT3 O ATOM 36377 H1 TIP3 290 68.838 60.541 -0.126 1.00 0.00 WT3 H ATOM 36378 H2 TIP3 290 69.250 59.162 0.342 1.00 0.00 WT3 H ATOM 36379 OH2 TIP3 313 20.670 31.817 26.787 1.00 0.00 WT3 O ATOM 36380 H1 TIP3 313 21.306 32.462 27.096 1.00 0.00 WT3 H ATOM 36381 H2 TIP3 313 21.161 30.996 26.749 1.00 0.00 WT3 H ATOM 36382 OH2 TIP3 360 62.773 23.006 1.157 1.00 0.00 WT3 O ATOM 36383 H1 TIP3 360 62.507 22.089 1.222 1.00 0.00 WT3 H ATOM 36384 H2 TIP3 360 61.966 23.501 1.298 1.00 0.00 WT3 H ATOM 36385 OH2 TIP3 365 87.446 48.766 1.394 1.00 0.00 WT3 O ATOM 36386 H1 TIP3 365 87.758 49.286 2.135 1.00 0.00 WT3 H ATOM 36387 H2 TIP3 365 86.492 48.803 1.461 1.00 0.00 WT3 H ATOM 36388 OH2 TIP3 370 47.961 80.984 27.872 1.00 0.00 WT3 O ATOM 36389 H1 TIP3 370 48.510 81.313 27.160 1.00 0.00 WT3 H ATOM 36390 H2 TIP3 370 48.441 80.232 28.217 1.00 0.00 WT3 H ATOM 36391 OH2 TIP3 379 84.782 11.519 62.842 1.00 0.00 WT3 O ATOM 36392 H1 TIP3 379 85.616 11.967 62.700 1.00 0.00 WT3 H ATOM 36393 H2 TIP3 379 84.708 10.911 62.106 1.00 0.00 WT3 H ATOM 36394 OH2 TIP3 400 74.150 22.045 51.306 1.00 0.00 WT3 O ATOM 36395 H1 TIP3 400 74.412 22.070 50.386 1.00 0.00 WT3 H ATOM 36396 H2 TIP3 400 73.302 22.488 51.326 1.00 0.00 WT3 H ATOM 36397 OH2 TIP3 407 45.715 57.590 -1.706 1.00 0.00 WT3 O ATOM 36398 H1 TIP3 407 45.765 56.774 -1.209 1.00 0.00 WT3 H ATOM 36399 H2 TIP3 407 46.621 57.894 -1.761 1.00 0.00 WT3 H ATOM 36400 OH2 TIP3 408 30.550 36.286 30.521 1.00 0.00 WT3 O ATOM 36401 H1 TIP3 408 29.744 36.787 30.400 1.00 0.00 WT3 H ATOM 36402 H2 TIP3 408 30.891 36.163 29.635 1.00 0.00 WT3 H ATOM 36403 OH2 TIP3 411 54.711 1.360 23.989 1.00 0.00 WT3 O ATOM 36404 H1 TIP3 411 55.120 0.524 24.212 1.00 0.00 WT3 H ATOM 36405 H2 TIP3 411 54.168 1.165 23.226 1.00 0.00 WT3 H ATOM 36406 OH2 TIP3 412 80.934 16.020 63.439 1.00 0.00 WT3 O ATOM 36407 H1 TIP3 412 80.480 15.177 63.462 1.00 0.00 WT3 H ATOM 36408 H2 TIP3 412 81.282 16.081 62.549 1.00 0.00 WT3 H ATOM 36409 OH2 TIP3 413 83.306 40.415 44.131 1.00 0.00 WT3 O ATOM 36410 H1 TIP3 413 82.547 40.994 44.192 1.00 0.00 WT3 H ATOM 36411 H2 TIP3 413 83.306 39.930 44.956 1.00 0.00 WT3 H ATOM 36412 OH2 TIP3 417 35.714 1.017 29.568 1.00 0.00 WT3 O ATOM 36413 H1 TIP3 417 36.372 1.710 29.512 1.00 0.00 WT3 H ATOM 36414 H2 TIP3 417 36.206 0.208 29.422 1.00 0.00 WT3 H ATOM 36415 OH2 TIP3 421 59.338 66.139 -17.047 1.00 0.00 WT3 O ATOM 36416 H1 TIP3 421 58.814 66.270 -16.257 1.00 0.00 WT3 H ATOM 36417 H2 TIP3 421 59.725 65.270 -16.937 1.00 0.00 WT3 H ATOM 36418 OH2 TIP3 424 23.296 74.381 18.558 1.00 0.00 WT3 O ATOM 36419 H1 TIP3 424 24.220 74.136 18.605 1.00 0.00 WT3 H ATOM 36420 H2 TIP3 424 22.838 73.683 19.027 1.00 0.00 WT3 H ATOM 36421 OH2 TIP3 429 52.233 13.443 6.284 1.00 0.00 WT3 O ATOM 36422 H1 TIP3 429 52.933 14.096 6.295 1.00 0.00 WT3 H ATOM 36423 H2 TIP3 429 51.554 13.810 6.850 1.00 0.00 WT3 H ATOM 36424 OH2 TIP3 430 86.605 55.868 21.459 1.00 0.00 WT3 O ATOM 36425 H1 TIP3 430 86.026 55.236 21.032 1.00 0.00 WT3 H ATOM 36426 H2 TIP3 430 87.193 56.163 20.764 1.00 0.00 WT3 H ATOM 36427 OH2 TIP3 432 67.348 49.474 39.772 1.00 0.00 WT3 O ATOM 36428 H1 TIP3 432 66.840 49.329 38.974 1.00 0.00 WT3 H ATOM 36429 H2 TIP3 432 66.711 49.386 40.481 1.00 0.00 WT3 H ATOM 36430 OH2 TIP3 434 42.687 42.396 54.195 1.00 0.00 WT3 O ATOM 36431 H1 TIP3 434 42.400 42.971 53.487 1.00 0.00 WT3 H ATOM 36432 H2 TIP3 434 43.606 42.626 54.334 1.00 0.00 WT3 H ATOM 36433 OH2 TIP3 436 49.785 35.937 23.380 1.00 0.00 WT3 O ATOM 36434 H1 TIP3 436 50.075 35.157 23.852 1.00 0.00 WT3 H ATOM 36435 H2 TIP3 436 50.258 35.905 22.548 1.00 0.00 WT3 H ATOM 36436 OH2 TIP3 437 21.055 36.312 -14.435 1.00 0.00 WT3 O ATOM 36437 H1 TIP3 437 21.895 35.915 -14.668 1.00 0.00 WT3 H ATOM 36438 H2 TIP3 437 20.758 36.736 -15.239 1.00 0.00 WT3 H ATOM 36439 OH2 TIP3 438 62.383 71.992 31.396 1.00 0.00 WT3 O ATOM 36440 H1 TIP3 438 61.624 71.431 31.557 1.00 0.00 WT3 H ATOM 36441 H2 TIP3 438 62.737 71.683 30.562 1.00 0.00 WT3 H ATOM 36442 OH2 TIP3 440 52.356 78.138 54.134 1.00 0.00 WT3 O ATOM 36443 H1 TIP3 440 52.175 77.199 54.165 1.00 0.00 WT3 H ATOM 36444 H2 TIP3 440 52.586 78.309 53.221 1.00 0.00 WT3 H ATOM 36445 OH2 TIP3 441 27.455 37.481 44.834 1.00 0.00 WT3 O ATOM 36446 H1 TIP3 441 28.307 37.823 45.106 1.00 0.00 WT3 H ATOM 36447 H2 TIP3 441 27.171 38.070 44.135 1.00 0.00 WT3 H ATOM 36448 OH2 TIP3 442 24.370 5.134 -14.436 1.00 0.00 WT3 O ATOM 36449 H1 TIP3 442 24.516 4.207 -14.626 1.00 0.00 WT3 H ATOM 36450 H2 TIP3 442 23.418 5.224 -14.395 1.00 0.00 WT3 H ATOM 36451 OH2 TIP3 443 68.023 72.341 0.832 1.00 0.00 WT3 O ATOM 36452 H1 TIP3 443 67.271 71.856 1.171 1.00 0.00 WT3 H ATOM 36453 H2 TIP3 443 67.704 72.744 0.024 1.00 0.00 WT3 H ATOM 36454 OH2 TIP3 444 83.180 57.209 57.875 1.00 0.00 WT3 O ATOM 36455 H1 TIP3 444 82.503 57.464 58.501 1.00 0.00 WT3 H ATOM 36456 H2 TIP3 444 83.773 57.959 57.843 1.00 0.00 WT3 H ATOM 36457 OH2 TIP3 447 49.815 90.970 31.702 1.00 0.00 WT3 O ATOM 36458 H1 TIP3 447 50.440 90.245 31.698 1.00 0.00 WT3 H ATOM 36459 H2 TIP3 447 50.120 91.553 31.006 1.00 0.00 WT3 H ATOM 36460 OH2 TIP3 449 46.818 88.392 13.406 1.00 0.00 WT3 O ATOM 36461 H1 TIP3 449 47.754 88.265 13.565 1.00 0.00 WT3 H ATOM 36462 H2 TIP3 449 46.419 87.556 13.647 1.00 0.00 WT3 H ATOM 36463 OH2 TIP3 450 84.473 0.017 6.478 1.00 0.00 WT3 O ATOM 36464 H1 TIP3 450 84.629 0.308 5.580 1.00 0.00 WT3 H ATOM 36465 H2 TIP3 450 84.229 0.814 6.949 1.00 0.00 WT3 H ATOM 36466 OH2 TIP3 451 69.435 93.774 57.853 1.00 0.00 WT3 O ATOM 36467 H1 TIP3 451 68.749 93.751 57.185 1.00 0.00 WT3 H ATOM 36468 H2 TIP3 451 70.191 94.156 57.407 1.00 0.00 WT3 H ATOM 36469 OH2 TIP3 452 78.846 91.515 5.401 1.00 0.00 WT3 O ATOM 36470 H1 TIP3 452 79.209 92.367 5.643 1.00 0.00 WT3 H ATOM 36471 H2 TIP3 452 79.088 91.404 4.481 1.00 0.00 WT3 H ATOM 36472 OH2 TIP3 453 21.762 87.369 54.104 1.00 0.00 WT3 O ATOM 36473 H1 TIP3 453 22.456 87.079 53.512 1.00 0.00 WT3 H ATOM 36474 H2 TIP3 453 21.688 86.666 54.750 1.00 0.00 WT3 H ATOM 36475 OH2 TIP3 455 24.275 40.127 20.631 1.00 0.00 WT3 O ATOM 36476 H1 TIP3 455 24.143 39.411 20.009 1.00 0.00 WT3 H ATOM 36477 H2 TIP3 455 24.029 39.756 21.478 1.00 0.00 WT3 H ATOM 36478 OH2 TIP3 457 21.792 20.096 40.276 1.00 0.00 WT3 O ATOM 36479 H1 TIP3 457 22.067 20.021 39.363 1.00 0.00 WT3 H ATOM 36480 H2 TIP3 457 21.015 19.540 40.339 1.00 0.00 WT3 H ATOM 36481 OH2 TIP3 458 28.072 80.780 46.536 1.00 0.00 WT3 O ATOM 36482 H1 TIP3 458 28.059 80.706 45.582 1.00 0.00 WT3 H ATOM 36483 H2 TIP3 458 27.159 80.665 46.799 1.00 0.00 WT3 H ATOM 36484 OH2 TIP3 459 72.162 40.030 41.018 1.00 0.00 WT3 O ATOM 36485 H1 TIP3 459 71.290 40.423 40.984 1.00 0.00 WT3 H ATOM 36486 H2 TIP3 459 72.160 39.379 40.316 1.00 0.00 WT3 H ATOM 36487 OH2 TIP3 461 51.314 6.327 -3.181 1.00 0.00 WT3 O ATOM 36488 H1 TIP3 461 50.654 6.754 -2.635 1.00 0.00 WT3 H ATOM 36489 H2 TIP3 461 51.244 5.399 -2.960 1.00 0.00 WT3 H ATOM 36490 OH2 TIP3 462 66.005 62.388 30.487 1.00 0.00 WT3 O ATOM 36491 H1 TIP3 462 66.589 62.843 29.881 1.00 0.00 WT3 H ATOM 36492 H2 TIP3 462 65.126 62.556 30.146 1.00 0.00 WT3 H ATOM 36493 OH2 TIP3 463 57.675 71.393 37.330 1.00 0.00 WT3 O ATOM 36494 H1 TIP3 463 57.348 70.716 36.737 1.00 0.00 WT3 H ATOM 36495 H2 TIP3 463 57.897 72.127 36.757 1.00 0.00 WT3 H ATOM 36496 OH2 TIP3 465 52.293 4.702 -15.051 1.00 0.00 WT3 O ATOM 36497 H1 TIP3 465 53.101 4.251 -15.296 1.00 0.00 WT3 H ATOM 36498 H2 TIP3 465 52.304 4.711 -14.094 1.00 0.00 WT3 H ATOM 36499 OH2 TIP3 466 78.937 38.788 -4.256 1.00 0.00 WT3 O ATOM 36500 H1 TIP3 466 79.298 39.584 -3.867 1.00 0.00 WT3 H ATOM 36501 H2 TIP3 466 79.703 38.297 -4.554 1.00 0.00 WT3 H ATOM 36502 OH2 TIP3 467 80.734 57.544 -2.956 1.00 0.00 WT3 O ATOM 36503 H1 TIP3 467 80.879 58.434 -2.636 1.00 0.00 WT3 H ATOM 36504 H2 TIP3 467 80.104 57.168 -2.342 1.00 0.00 WT3 H ATOM 36505 OH2 TIP3 469 73.198 28.353 -13.720 1.00 0.00 WT3 O ATOM 36506 H1 TIP3 469 73.541 28.227 -12.835 1.00 0.00 WT3 H ATOM 36507 H2 TIP3 469 72.649 29.135 -13.656 1.00 0.00 WT3 H ATOM 36508 OH2 TIP3 473 30.702 82.158 43.806 1.00 0.00 WT3 O ATOM 36509 H1 TIP3 473 31.106 82.225 44.672 1.00 0.00 WT3 H ATOM 36510 H2 TIP3 473 31.425 81.928 43.222 1.00 0.00 WT3 H ATOM 36511 OH2 TIP3 474 21.470 55.772 17.152 1.00 0.00 WT3 O ATOM 36512 H1 TIP3 474 22.160 55.708 16.492 1.00 0.00 WT3 H ATOM 36513 H2 TIP3 474 21.464 54.914 17.576 1.00 0.00 WT3 H ATOM 36514 OH2 TIP3 478 36.875 96.316 10.885 1.00 0.00 WT3 O ATOM 36515 H1 TIP3 478 36.775 97.249 11.072 1.00 0.00 WT3 H ATOM 36516 H2 TIP3 478 37.817 96.193 10.766 1.00 0.00 WT3 H ATOM 36517 OH2 TIP3 479 75.031 71.041 -11.070 1.00 0.00 WT3 O ATOM 36518 H1 TIP3 479 74.922 70.959 -10.123 1.00 0.00 WT3 H ATOM 36519 H2 TIP3 479 75.896 71.438 -11.179 1.00 0.00 WT3 H ATOM 36520 OH2 TIP3 484 59.618 53.137 -7.241 1.00 0.00 WT3 O ATOM 36521 H1 TIP3 484 59.168 53.388 -6.435 1.00 0.00 WT3 H ATOM 36522 H2 TIP3 484 59.595 53.924 -7.785 1.00 0.00 WT3 H ATOM 36523 OH2 TIP3 485 75.530 19.723 44.356 1.00 0.00 WT3 O ATOM 36524 H1 TIP3 485 76.104 18.963 44.264 1.00 0.00 WT3 H ATOM 36525 H2 TIP3 485 75.287 19.730 45.282 1.00 0.00 WT3 H ATOM 36526 OH2 TIP3 486 29.902 45.806 36.984 1.00 0.00 WT3 O ATOM 36527 H1 TIP3 486 29.453 45.830 36.139 1.00 0.00 WT3 H ATOM 36528 H2 TIP3 486 29.403 46.407 37.538 1.00 0.00 WT3 H ATOM 36529 OH2 TIP3 487 82.474 85.201 -8.962 1.00 0.00 WT3 O ATOM 36530 H1 TIP3 487 83.002 85.109 -8.169 1.00 0.00 WT3 H ATOM 36531 H2 TIP3 487 81.618 85.490 -8.648 1.00 0.00 WT3 H ATOM 36532 OH2 TIP3 488 44.329 44.226 11.108 1.00 0.00 WT3 O ATOM 36533 H1 TIP3 488 44.425 44.450 12.034 1.00 0.00 WT3 H ATOM 36534 H2 TIP3 488 43.876 44.978 10.725 1.00 0.00 WT3 H ATOM 36535 OH2 TIP3 489 28.125 24.272 53.268 1.00 0.00 WT3 O ATOM 36536 H1 TIP3 489 29.022 24.139 53.574 1.00 0.00 WT3 H ATOM 36537 H2 TIP3 489 27.785 23.388 53.127 1.00 0.00 WT3 H ATOM 36538 OH2 TIP3 490 73.149 76.132 55.624 1.00 0.00 WT3 O ATOM 36539 H1 TIP3 490 73.394 75.576 54.885 1.00 0.00 WT3 H ATOM 36540 H2 TIP3 490 73.771 75.901 56.315 1.00 0.00 WT3 H ATOM 36541 OH2 TIP3 491 62.003 63.301 46.888 1.00 0.00 WT3 O ATOM 36542 H1 TIP3 491 62.244 63.187 45.968 1.00 0.00 WT3 H ATOM 36543 H2 TIP3 491 61.737 62.427 47.176 1.00 0.00 WT3 H ATOM 36544 OH2 TIP3 492 65.702 5.954 54.038 1.00 0.00 WT3 O ATOM 36545 H1 TIP3 492 65.403 5.433 54.783 1.00 0.00 WT3 H ATOM 36546 H2 TIP3 492 66.109 6.726 54.432 1.00 0.00 WT3 H ATOM 36547 OH2 TIP3 493 63.228 36.488 29.859 1.00 0.00 WT3 O ATOM 36548 H1 TIP3 493 63.478 37.071 29.142 1.00 0.00 WT3 H ATOM 36549 H2 TIP3 493 63.167 37.062 30.623 1.00 0.00 WT3 H ATOM 36550 OH2 TIP3 494 76.535 93.221 -16.059 1.00 0.00 WT3 O ATOM 36551 H1 TIP3 494 76.852 92.477 -15.547 1.00 0.00 WT3 H ATOM 36552 H2 TIP3 494 77.080 93.956 -15.777 1.00 0.00 WT3 H ATOM 36553 OH2 TIP3 495 46.219 22.011 3.033 1.00 0.00 WT3 O ATOM 36554 H1 TIP3 495 45.806 22.874 3.005 1.00 0.00 WT3 H ATOM 36555 H2 TIP3 495 46.880 22.084 3.722 1.00 0.00 WT3 H ATOM 36556 OH2 TIP3 497 87.551 79.041 61.406 1.00 0.00 WT3 O ATOM 36557 H1 TIP3 497 87.700 79.690 62.094 1.00 0.00 WT3 H ATOM 36558 H2 TIP3 497 88.222 79.227 60.750 1.00 0.00 WT3 H ATOM 36559 OH2 TIP3 498 55.237 33.210 -11.259 1.00 0.00 WT3 O ATOM 36560 H1 TIP3 498 55.497 32.930 -12.136 1.00 0.00 WT3 H ATOM 36561 H2 TIP3 498 54.536 33.845 -11.408 1.00 0.00 WT3 H ATOM 36562 OH2 TIP3 499 72.584 41.982 43.345 1.00 0.00 WT3 O ATOM 36563 H1 TIP3 499 72.441 41.758 42.425 1.00 0.00 WT3 H ATOM 36564 H2 TIP3 499 73.521 41.847 43.483 1.00 0.00 WT3 H ATOM 36565 OH2 TIP3 500 66.408 39.955 41.354 1.00 0.00 WT3 O ATOM 36566 H1 TIP3 500 66.411 40.807 41.789 1.00 0.00 WT3 H ATOM 36567 H2 TIP3 500 65.583 39.550 41.622 1.00 0.00 WT3 H ATOM 36568 OH2 TIP3 501 32.545 46.626 21.753 1.00 0.00 WT3 O ATOM 36569 H1 TIP3 501 32.281 47.048 20.935 1.00 0.00 WT3 H ATOM 36570 H2 TIP3 501 33.498 46.558 21.691 1.00 0.00 WT3 H ATOM 36571 OH2 TIP3 502 83.239 67.802 51.829 1.00 0.00 WT3 O ATOM 36572 H1 TIP3 502 83.919 67.632 52.481 1.00 0.00 WT3 H ATOM 36573 H2 TIP3 502 82.418 67.730 52.314 1.00 0.00 WT3 H ATOM 36574 OH2 TIP3 503 64.871 47.319 64.464 1.00 0.00 WT3 O ATOM 36575 H1 TIP3 503 64.708 47.888 63.713 1.00 0.00 WT3 H ATOM 36576 H2 TIP3 503 65.440 47.833 65.037 1.00 0.00 WT3 H ATOM 36577 OH2 TIP3 504 50.484 76.761 33.654 1.00 0.00 WT3 O ATOM 36578 H1 TIP3 504 50.807 75.919 33.333 1.00 0.00 WT3 H ATOM 36579 H2 TIP3 504 49.535 76.649 33.708 1.00 0.00 WT3 H ATOM 36580 OH2 TIP3 505 28.067 68.813 50.377 1.00 0.00 WT3 O ATOM 36581 H1 TIP3 505 27.968 68.833 49.425 1.00 0.00 WT3 H ATOM 36582 H2 TIP3 505 27.471 68.122 50.666 1.00 0.00 WT3 H ATOM 36583 OH2 TIP3 506 25.943 95.586 31.956 1.00 0.00 WT3 O ATOM 36584 H1 TIP3 506 25.437 96.222 31.451 1.00 0.00 WT3 H ATOM 36585 H2 TIP3 506 26.266 96.081 32.710 1.00 0.00 WT3 H ATOM 36586 OH2 TIP3 507 47.578 91.005 0.337 1.00 0.00 WT3 O ATOM 36587 H1 TIP3 507 47.913 91.190 1.214 1.00 0.00 WT3 H ATOM 36588 H2 TIP3 507 47.234 91.843 0.029 1.00 0.00 WT3 H ATOM 36589 OH2 TIP3 508 48.615 24.846 58.584 1.00 0.00 WT3 O ATOM 36590 H1 TIP3 508 47.971 24.289 58.146 1.00 0.00 WT3 H ATOM 36591 H2 TIP3 508 48.503 25.706 58.178 1.00 0.00 WT3 H ATOM 36592 OH2 TIP3 509 71.759 72.908 25.169 1.00 0.00 WT3 O ATOM 36593 H1 TIP3 509 71.463 73.300 24.347 1.00 0.00 WT3 H ATOM 36594 H2 TIP3 509 71.257 73.361 25.846 1.00 0.00 WT3 H ATOM 36595 OH2 TIP3 510 37.902 40.205 -14.978 1.00 0.00 WT3 O ATOM 36596 H1 TIP3 510 38.837 40.097 -15.149 1.00 0.00 WT3 H ATOM 36597 H2 TIP3 510 37.863 40.774 -14.209 1.00 0.00 WT3 H ATOM 36598 OH2 TIP3 511 90.509 48.042 57.575 1.00 0.00 WT3 O ATOM 36599 H1 TIP3 511 90.679 48.942 57.855 1.00 0.00 WT3 H ATOM 36600 H2 TIP3 511 90.154 47.612 58.353 1.00 0.00 WT3 H ATOM 36601 OH2 TIP3 512 86.954 3.555 -14.220 1.00 0.00 WT3 O ATOM 36602 H1 TIP3 512 86.517 3.248 -13.426 1.00 0.00 WT3 H ATOM 36603 H2 TIP3 512 87.031 4.502 -14.101 1.00 0.00 WT3 H ATOM 36604 OH2 TIP3 513 75.976 93.941 -9.367 1.00 0.00 WT3 O ATOM 36605 H1 TIP3 513 76.003 93.307 -10.084 1.00 0.00 WT3 H ATOM 36606 H2 TIP3 513 76.894 94.081 -9.136 1.00 0.00 WT3 H ATOM 36607 OH2 TIP3 514 78.213 79.077 31.399 1.00 0.00 WT3 O ATOM 36608 H1 TIP3 514 78.365 80.014 31.522 1.00 0.00 WT3 H ATOM 36609 H2 TIP3 514 77.896 79.001 30.499 1.00 0.00 WT3 H ATOM 36610 OH2 TIP3 515 74.070 49.190 39.414 1.00 0.00 WT3 O ATOM 36611 H1 TIP3 515 74.669 49.876 39.709 1.00 0.00 WT3 H ATOM 36612 H2 TIP3 515 74.345 49.000 38.518 1.00 0.00 WT3 H ATOM 36613 OH2 TIP3 516 24.124 96.463 35.060 1.00 0.00 WT3 O ATOM 36614 H1 TIP3 516 23.762 95.662 34.680 1.00 0.00 WT3 H ATOM 36615 H2 TIP3 516 24.197 97.068 34.322 1.00 0.00 WT3 H ATOM 36616 OH2 TIP3 517 68.950 74.824 64.717 1.00 0.00 WT3 O ATOM 36617 H1 TIP3 517 68.540 74.215 65.332 1.00 0.00 WT3 H ATOM 36618 H2 TIP3 517 68.261 75.455 64.509 1.00 0.00 WT3 H ATOM 36619 OH2 TIP3 518 74.989 84.256 9.700 1.00 0.00 WT3 O ATOM 36620 H1 TIP3 518 75.809 83.878 10.018 1.00 0.00 WT3 H ATOM 36621 H2 TIP3 518 75.223 84.675 8.872 1.00 0.00 WT3 H ATOM 36622 OH2 TIP3 519 30.360 56.441 -18.635 1.00 0.00 WT3 O ATOM 36623 H1 TIP3 519 29.628 55.913 -18.318 1.00 0.00 WT3 H ATOM 36624 H2 TIP3 519 30.294 57.262 -18.147 1.00 0.00 WT3 H ATOM 36625 OH2 TIP3 522 35.378 5.188 22.897 1.00 0.00 WT3 O ATOM 36626 H1 TIP3 522 34.575 4.699 22.714 1.00 0.00 WT3 H ATOM 36627 H2 TIP3 522 35.124 5.822 23.567 1.00 0.00 WT3 H ATOM 36628 OH2 TIP3 523 55.964 68.307 62.323 1.00 0.00 WT3 O ATOM 36629 H1 TIP3 523 55.956 67.746 63.098 1.00 0.00 WT3 H ATOM 36630 H2 TIP3 523 55.186 68.858 62.418 1.00 0.00 WT3 H ATOM 36631 OH2 TIP3 524 80.857 62.419 28.814 1.00 0.00 WT3 O ATOM 36632 H1 TIP3 524 80.731 61.482 28.958 1.00 0.00 WT3 H ATOM 36633 H2 TIP3 524 80.349 62.839 29.508 1.00 0.00 WT3 H ATOM 36634 OH2 TIP3 525 73.837 35.347 18.971 1.00 0.00 WT3 O ATOM 36635 H1 TIP3 525 73.792 34.452 18.635 1.00 0.00 WT3 H ATOM 36636 H2 TIP3 525 73.128 35.399 19.612 1.00 0.00 WT3 H ATOM 36637 OH2 TIP3 526 86.518 22.724 52.648 1.00 0.00 WT3 O ATOM 36638 H1 TIP3 526 86.336 22.054 51.989 1.00 0.00 WT3 H ATOM 36639 H2 TIP3 526 86.143 22.375 53.456 1.00 0.00 WT3 H ATOM 36640 OH2 TIP3 527 51.873 65.138 41.765 1.00 0.00 WT3 O ATOM 36641 H1 TIP3 527 52.362 64.323 41.874 1.00 0.00 WT3 H ATOM 36642 H2 TIP3 527 51.210 64.934 41.106 1.00 0.00 WT3 H ATOM 36643 OH2 TIP3 528 46.895 33.883 -16.690 1.00 0.00 WT3 O ATOM 36644 H1 TIP3 528 47.501 33.859 -17.431 1.00 0.00 WT3 H ATOM 36645 H2 TIP3 528 47.231 33.223 -16.083 1.00 0.00 WT3 H ATOM 36646 OH2 TIP3 529 22.521 93.232 55.496 1.00 0.00 WT3 O ATOM 36647 H1 TIP3 529 21.885 93.905 55.252 1.00 0.00 WT3 H ATOM 36648 H2 TIP3 529 23.367 93.678 55.465 1.00 0.00 WT3 H ATOM 36649 OH2 TIP3 530 32.839 36.990 22.209 1.00 0.00 WT3 O ATOM 36650 H1 TIP3 530 32.338 36.240 21.889 1.00 0.00 WT3 H ATOM 36651 H2 TIP3 530 33.714 36.640 22.380 1.00 0.00 WT3 H ATOM 36652 OH2 TIP3 532 49.230 3.012 21.837 1.00 0.00 WT3 O ATOM 36653 H1 TIP3 532 48.294 3.082 21.651 1.00 0.00 WT3 H ATOM 36654 H2 TIP3 532 49.588 3.865 21.593 1.00 0.00 WT3 H ATOM 36655 OH2 TIP3 533 77.383 52.954 -15.669 1.00 0.00 WT3 O ATOM 36656 H1 TIP3 533 77.426 52.015 -15.853 1.00 0.00 WT3 H ATOM 36657 H2 TIP3 533 77.372 53.011 -14.714 1.00 0.00 WT3 H ATOM 36658 OH2 TIP3 534 65.267 64.921 -17.178 1.00 0.00 WT3 O ATOM 36659 H1 TIP3 534 64.966 64.060 -16.886 1.00 0.00 WT3 H ATOM 36660 H2 TIP3 534 65.924 64.731 -17.848 1.00 0.00 WT3 H ATOM 36661 OH2 TIP3 535 21.137 61.983 9.350 1.00 0.00 WT3 O ATOM 36662 H1 TIP3 535 21.776 62.478 9.864 1.00 0.00 WT3 H ATOM 36663 H2 TIP3 535 21.630 61.238 9.008 1.00 0.00 WT3 H ATOM 36664 OH2 TIP3 536 51.842 2.355 18.117 1.00 0.00 WT3 O ATOM 36665 H1 TIP3 536 52.050 1.867 18.914 1.00 0.00 WT3 H ATOM 36666 H2 TIP3 536 51.011 2.789 18.311 1.00 0.00 WT3 H ATOM 36667 OH2 TIP3 538 38.585 37.883 65.511 1.00 0.00 WT3 O ATOM 36668 H1 TIP3 538 39.487 38.127 65.716 1.00 0.00 WT3 H ATOM 36669 H2 TIP3 538 38.611 37.613 64.593 1.00 0.00 WT3 H ATOM 36670 OH2 TIP3 539 26.223 73.785 29.877 1.00 0.00 WT3 O ATOM 36671 H1 TIP3 539 25.667 73.546 29.136 1.00 0.00 WT3 H ATOM 36672 H2 TIP3 539 27.003 73.238 29.778 1.00 0.00 WT3 H ATOM 36673 OH2 TIP3 540 59.956 70.476 39.156 1.00 0.00 WT3 O ATOM 36674 H1 TIP3 540 59.926 69.682 38.621 1.00 0.00 WT3 H ATOM 36675 H2 TIP3 540 59.290 71.048 38.775 1.00 0.00 WT3 H ATOM 36676 OH2 TIP3 541 21.049 68.848 2.787 1.00 0.00 WT3 O ATOM 36677 H1 TIP3 541 21.463 68.010 2.582 1.00 0.00 WT3 H ATOM 36678 H2 TIP3 541 20.167 68.616 3.077 1.00 0.00 WT3 H ATOM 36679 OH2 TIP3 542 85.048 75.970 62.950 1.00 0.00 WT3 O ATOM 36680 H1 TIP3 542 84.300 75.400 62.774 1.00 0.00 WT3 H ATOM 36681 H2 TIP3 542 85.103 76.007 63.905 1.00 0.00 WT3 H ATOM 36682 OH2 TIP3 543 65.828 20.201 -18.466 1.00 0.00 WT3 O ATOM 36683 H1 TIP3 543 66.342 20.219 -17.659 1.00 0.00 WT3 H ATOM 36684 H2 TIP3 543 66.474 20.070 -19.160 1.00 0.00 WT3 H ATOM 36685 OH2 TIP3 544 52.853 45.222 50.008 1.00 0.00 WT3 O ATOM 36686 H1 TIP3 544 51.928 45.452 50.097 1.00 0.00 WT3 H ATOM 36687 H2 TIP3 544 53.107 45.577 49.156 1.00 0.00 WT3 H ATOM 36688 OH2 TIP3 546 36.399 95.384 -14.579 1.00 0.00 WT3 O ATOM 36689 H1 TIP3 546 35.973 96.013 -13.997 1.00 0.00 WT3 H ATOM 36690 H2 TIP3 546 37.219 95.165 -14.138 1.00 0.00 WT3 H ATOM 36691 OH2 TIP3 547 68.126 26.421 49.808 1.00 0.00 WT3 O ATOM 36692 H1 TIP3 547 67.408 27.054 49.797 1.00 0.00 WT3 H ATOM 36693 H2 TIP3 547 68.457 26.418 48.910 1.00 0.00 WT3 H ATOM 36694 OH2 TIP3 549 54.440 43.719 61.210 1.00 0.00 WT3 O ATOM 36695 H1 TIP3 549 53.695 43.705 61.811 1.00 0.00 WT3 H ATOM 36696 H2 TIP3 549 55.010 43.014 61.517 1.00 0.00 WT3 H ATOM 36697 OH2 TIP3 550 52.130 65.237 14.527 1.00 0.00 WT3 O ATOM 36698 H1 TIP3 550 51.512 64.552 14.784 1.00 0.00 WT3 H ATOM 36699 H2 TIP3 550 52.992 64.839 14.648 1.00 0.00 WT3 H ATOM 36700 OH2 TIP3 551 46.983 55.418 42.758 1.00 0.00 WT3 O ATOM 36701 H1 TIP3 551 47.449 55.836 43.482 1.00 0.00 WT3 H ATOM 36702 H2 TIP3 551 46.342 56.072 42.477 1.00 0.00 WT3 H ATOM 36703 OH2 TIP3 552 47.122 72.065 -13.144 1.00 0.00 WT3 O ATOM 36704 H1 TIP3 552 47.284 71.179 -12.819 1.00 0.00 WT3 H ATOM 36705 H2 TIP3 552 47.042 71.962 -14.092 1.00 0.00 WT3 H ATOM 36706 OH2 TIP3 553 82.110 10.938 -14.221 1.00 0.00 WT3 O ATOM 36707 H1 TIP3 553 82.991 11.202 -13.956 1.00 0.00 WT3 H ATOM 36708 H2 TIP3 553 81.697 11.748 -14.523 1.00 0.00 WT3 H ATOM 36709 OH2 TIP3 554 62.855 69.218 -5.108 1.00 0.00 WT3 O ATOM 36710 H1 TIP3 554 62.018 68.766 -5.211 1.00 0.00 WT3 H ATOM 36711 H2 TIP3 554 62.794 69.644 -4.253 1.00 0.00 WT3 H ATOM 36712 OH2 TIP3 555 36.151 47.933 28.547 1.00 0.00 WT3 O ATOM 36713 H1 TIP3 555 36.074 48.478 27.764 1.00 0.00 WT3 H ATOM 36714 H2 TIP3 555 36.308 48.554 29.258 1.00 0.00 WT3 H ATOM 36715 OH2 TIP3 556 23.330 -0.103 27.332 1.00 0.00 WT3 O ATOM 36716 H1 TIP3 556 23.798 0.179 26.546 1.00 0.00 WT3 H ATOM 36717 H2 TIP3 556 23.933 0.086 28.051 1.00 0.00 WT3 H ATOM 36718 OH2 TIP3 558 81.178 47.545 33.606 1.00 0.00 WT3 O ATOM 36719 H1 TIP3 558 82.036 47.572 33.183 1.00 0.00 WT3 H ATOM 36720 H2 TIP3 558 81.366 47.658 34.538 1.00 0.00 WT3 H ATOM 36721 OH2 TIP3 559 84.638 50.853 0.108 1.00 0.00 WT3 O ATOM 36722 H1 TIP3 559 84.947 51.471 0.770 1.00 0.00 WT3 H ATOM 36723 H2 TIP3 559 83.685 50.944 0.122 1.00 0.00 WT3 H ATOM 36724 OH2 TIP3 560 32.352 87.073 42.066 1.00 0.00 WT3 O ATOM 36725 H1 TIP3 560 31.783 86.328 42.262 1.00 0.00 WT3 H ATOM 36726 H2 TIP3 560 33.180 86.677 41.796 1.00 0.00 WT3 H ATOM 36727 OH2 TIP3 561 44.316 77.505 14.042 1.00 0.00 WT3 O ATOM 36728 H1 TIP3 561 44.383 77.209 13.134 1.00 0.00 WT3 H ATOM 36729 H2 TIP3 561 45.007 77.028 14.501 1.00 0.00 WT3 H ATOM 36730 OH2 TIP3 562 22.640 28.052 -8.123 1.00 0.00 WT3 O ATOM 36731 H1 TIP3 562 22.150 28.700 -8.629 1.00 0.00 WT3 H ATOM 36732 H2 TIP3 562 22.546 28.335 -7.214 1.00 0.00 WT3 H ATOM 36733 OH2 TIP3 563 47.465 88.373 2.295 1.00 0.00 WT3 O ATOM 36734 H1 TIP3 563 47.906 87.630 1.884 1.00 0.00 WT3 H ATOM 36735 H2 TIP3 563 48.111 89.080 2.270 1.00 0.00 WT3 H ATOM 36736 OH2 TIP3 564 51.355 86.222 14.423 1.00 0.00 WT3 O ATOM 36737 H1 TIP3 564 51.905 86.057 15.189 1.00 0.00 WT3 H ATOM 36738 H2 TIP3 564 51.797 85.765 13.707 1.00 0.00 WT3 H ATOM 36739 OH2 TIP3 565 90.263 4.460 -3.561 1.00 0.00 WT3 O ATOM 36740 H1 TIP3 565 90.561 4.403 -4.469 1.00 0.00 WT3 H ATOM 36741 H2 TIP3 565 89.394 4.858 -3.619 1.00 0.00 WT3 H ATOM 36742 OH2 TIP3 568 71.146 49.994 23.890 1.00 0.00 WT3 O ATOM 36743 H1 TIP3 568 70.547 50.706 23.666 1.00 0.00 WT3 H ATOM 36744 H2 TIP3 568 71.512 50.246 24.738 1.00 0.00 WT3 H ATOM 36745 OH2 TIP3 569 75.716 30.593 30.549 1.00 0.00 WT3 O ATOM 36746 H1 TIP3 569 76.116 29.748 30.343 1.00 0.00 WT3 H ATOM 36747 H2 TIP3 569 76.184 30.896 31.327 1.00 0.00 WT3 H ATOM 36748 OH2 TIP3 571 41.922 3.838 -10.011 1.00 0.00 WT3 O ATOM 36749 H1 TIP3 571 42.709 3.378 -10.302 1.00 0.00 WT3 H ATOM 36750 H2 TIP3 571 41.212 3.211 -10.150 1.00 0.00 WT3 H ATOM 36751 OH2 TIP3 572 37.373 92.662 42.597 1.00 0.00 WT3 O ATOM 36752 H1 TIP3 572 36.802 93.188 43.158 1.00 0.00 WT3 H ATOM 36753 H2 TIP3 572 37.467 93.180 41.798 1.00 0.00 WT3 H ATOM 36754 OH2 TIP3 573 51.925 88.560 27.975 1.00 0.00 WT3 O ATOM 36755 H1 TIP3 573 51.211 88.960 28.472 1.00 0.00 WT3 H ATOM 36756 H2 TIP3 573 51.978 89.078 27.172 1.00 0.00 WT3 H ATOM 36757 OH2 TIP3 574 53.792 16.189 30.544 1.00 0.00 WT3 O ATOM 36758 H1 TIP3 574 52.878 15.903 30.523 1.00 0.00 WT3 H ATOM 36759 H2 TIP3 574 53.825 16.928 29.937 1.00 0.00 WT3 H ATOM 36760 OH2 TIP3 575 88.356 69.185 19.774 1.00 0.00 WT3 O ATOM 36761 H1 TIP3 575 87.449 68.949 19.578 1.00 0.00 WT3 H ATOM 36762 H2 TIP3 575 88.864 68.415 19.522 1.00 0.00 WT3 H ATOM 36763 OH2 TIP3 576 51.485 94.137 17.195 1.00 0.00 WT3 O ATOM 36764 H1 TIP3 576 51.446 93.892 16.270 1.00 0.00 WT3 H ATOM 36765 H2 TIP3 576 52.302 94.628 17.279 1.00 0.00 WT3 H ATOM 36766 OH2 TIP3 577 58.460 38.094 59.292 1.00 0.00 WT3 O ATOM 36767 H1 TIP3 577 57.769 38.313 58.666 1.00 0.00 WT3 H ATOM 36768 H2 TIP3 577 59.269 38.145 58.784 1.00 0.00 WT3 H ATOM 36769 OH2 TIP3 578 26.661 69.119 53.391 1.00 0.00 WT3 O ATOM 36770 H1 TIP3 578 26.554 69.701 52.639 1.00 0.00 WT3 H ATOM 36771 H2 TIP3 578 26.823 69.708 54.128 1.00 0.00 WT3 H ATOM 36772 OH2 TIP3 579 36.352 69.086 -6.526 1.00 0.00 WT3 O ATOM 36773 H1 TIP3 579 36.138 68.199 -6.237 1.00 0.00 WT3 H ATOM 36774 H2 TIP3 579 36.161 69.638 -5.768 1.00 0.00 WT3 H ATOM 36775 OH2 TIP3 580 56.939 5.367 3.788 1.00 0.00 WT3 O ATOM 36776 H1 TIP3 580 57.844 5.597 3.581 1.00 0.00 WT3 H ATOM 36777 H2 TIP3 580 56.931 5.252 4.738 1.00 0.00 WT3 H ATOM 36778 OH2 TIP3 581 47.177 26.399 65.669 1.00 0.00 WT3 O ATOM 36779 H1 TIP3 581 46.617 26.488 66.440 1.00 0.00 WT3 H ATOM 36780 H2 TIP3 581 47.509 27.282 65.511 1.00 0.00 WT3 H ATOM 36781 OH2 TIP3 582 70.595 11.414 54.418 1.00 0.00 WT3 O ATOM 36782 H1 TIP3 582 70.645 10.815 55.163 1.00 0.00 WT3 H ATOM 36783 H2 TIP3 582 69.761 11.870 54.532 1.00 0.00 WT3 H ATOM 36784 OH2 TIP3 583 87.940 2.928 -4.558 1.00 0.00 WT3 O ATOM 36785 H1 TIP3 583 87.313 2.294 -4.906 1.00 0.00 WT3 H ATOM 36786 H2 TIP3 583 87.774 3.729 -5.056 1.00 0.00 WT3 H ATOM 36787 OH2 TIP3 584 41.374 92.051 64.572 1.00 0.00 WT3 O ATOM 36788 H1 TIP3 584 42.190 92.411 64.920 1.00 0.00 WT3 H ATOM 36789 H2 TIP3 584 41.514 92.010 63.626 1.00 0.00 WT3 H ATOM 36790 OH2 TIP3 585 35.045 76.110 24.367 1.00 0.00 WT3 O ATOM 36791 H1 TIP3 585 35.832 75.632 24.106 1.00 0.00 WT3 H ATOM 36792 H2 TIP3 585 35.249 77.026 24.183 1.00 0.00 WT3 H ATOM 36793 OH2 TIP3 586 45.252 51.025 -18.466 1.00 0.00 WT3 O ATOM 36794 H1 TIP3 586 45.389 51.773 -17.884 1.00 0.00 WT3 H ATOM 36795 H2 TIP3 586 46.112 50.610 -18.530 1.00 0.00 WT3 H ATOM 36796 OH2 TIP3 587 43.199 71.057 16.314 1.00 0.00 WT3 O ATOM 36797 H1 TIP3 587 43.925 70.915 16.922 1.00 0.00 WT3 H ATOM 36798 H2 TIP3 587 42.770 70.204 16.248 1.00 0.00 WT3 H ATOM 36799 OH2 TIP3 590 31.486 68.929 50.060 1.00 0.00 WT3 O ATOM 36800 H1 TIP3 590 32.335 69.058 49.638 1.00 0.00 WT3 H ATOM 36801 H2 TIP3 590 30.846 69.207 49.404 1.00 0.00 WT3 H ATOM 36802 OH2 TIP3 591 34.840 20.251 -7.920 1.00 0.00 WT3 O ATOM 36803 H1 TIP3 591 34.304 20.164 -8.708 1.00 0.00 WT3 H ATOM 36804 H2 TIP3 591 35.173 21.148 -7.954 1.00 0.00 WT3 H ATOM 36805 OH2 TIP3 592 57.391 51.983 61.120 1.00 0.00 WT3 O ATOM 36806 H1 TIP3 592 57.354 51.241 61.724 1.00 0.00 WT3 H ATOM 36807 H2 TIP3 592 56.519 52.374 61.166 1.00 0.00 WT3 H ATOM 36808 OH2 TIP3 593 24.836 43.315 53.670 1.00 0.00 WT3 O ATOM 36809 H1 TIP3 593 24.553 44.173 53.987 1.00 0.00 WT3 H ATOM 36810 H2 TIP3 593 25.703 43.190 54.057 1.00 0.00 WT3 H ATOM 36811 OH2 TIP3 594 82.411 49.826 30.259 1.00 0.00 WT3 O ATOM 36812 H1 TIP3 594 81.932 49.044 29.984 1.00 0.00 WT3 H ATOM 36813 H2 TIP3 594 81.810 50.279 30.849 1.00 0.00 WT3 H ATOM 36814 OH2 TIP3 595 45.799 85.597 51.163 1.00 0.00 WT3 O ATOM 36815 H1 TIP3 595 44.887 85.468 50.904 1.00 0.00 WT3 H ATOM 36816 H2 TIP3 595 46.266 84.856 50.778 1.00 0.00 WT3 H ATOM 36817 OH2 TIP3 597 40.456 77.943 26.421 1.00 0.00 WT3 O ATOM 36818 H1 TIP3 597 40.116 77.113 26.088 1.00 0.00 WT3 H ATOM 36819 H2 TIP3 597 41.135 78.193 25.793 1.00 0.00 WT3 H ATOM 36820 OH2 TIP3 598 38.400 10.238 23.108 1.00 0.00 WT3 O ATOM 36821 H1 TIP3 598 37.452 10.234 23.241 1.00 0.00 WT3 H ATOM 36822 H2 TIP3 598 38.608 9.346 22.831 1.00 0.00 WT3 H ATOM 36823 OH2 TIP3 599 38.620 73.335 15.382 1.00 0.00 WT3 O ATOM 36824 H1 TIP3 599 38.832 74.173 15.795 1.00 0.00 WT3 H ATOM 36825 H2 TIP3 599 39.372 72.775 15.576 1.00 0.00 WT3 H ATOM 36826 OH2 TIP3 601 23.158 2.584 59.533 1.00 0.00 WT3 O ATOM 36827 H1 TIP3 601 23.789 2.668 58.818 1.00 0.00 WT3 H ATOM 36828 H2 TIP3 601 23.008 3.482 59.829 1.00 0.00 WT3 H ATOM 36829 OH2 TIP3 602 46.768 2.702 -4.161 1.00 0.00 WT3 O ATOM 36830 H1 TIP3 602 46.523 1.780 -4.233 1.00 0.00 WT3 H ATOM 36831 H2 TIP3 602 47.635 2.689 -3.755 1.00 0.00 WT3 H ATOM 36832 OH2 TIP3 603 35.700 16.044 56.406 1.00 0.00 WT3 O ATOM 36833 H1 TIP3 603 35.198 16.547 57.046 1.00 0.00 WT3 H ATOM 36834 H2 TIP3 603 36.468 16.585 56.224 1.00 0.00 WT3 H ATOM 36835 OH2 TIP3 604 79.841 20.913 59.461 1.00 0.00 WT3 O ATOM 36836 H1 TIP3 604 80.499 21.130 60.121 1.00 0.00 WT3 H ATOM 36837 H2 TIP3 604 79.847 21.659 58.861 1.00 0.00 WT3 H ATOM 36838 OH2 TIP3 605 86.228 44.672 54.272 1.00 0.00 WT3 O ATOM 36839 H1 TIP3 605 85.762 45.175 53.605 1.00 0.00 WT3 H ATOM 36840 H2 TIP3 605 85.546 44.393 54.883 1.00 0.00 WT3 H ATOM 36841 OH2 TIP3 606 22.095 56.186 53.598 1.00 0.00 WT3 O ATOM 36842 H1 TIP3 606 21.810 56.331 54.501 1.00 0.00 WT3 H ATOM 36843 H2 TIP3 606 23.025 56.413 53.600 1.00 0.00 WT3 H ATOM 36844 OH2 TIP3 607 77.847 64.955 42.087 1.00 0.00 WT3 O ATOM 36845 H1 TIP3 607 77.389 64.118 42.163 1.00 0.00 WT3 H ATOM 36846 H2 TIP3 607 78.000 65.060 41.148 1.00 0.00 WT3 H ATOM 36847 OH2 TIP3 609 24.576 77.087 55.433 1.00 0.00 WT3 O ATOM 36848 H1 TIP3 609 25.434 77.129 55.012 1.00 0.00 WT3 H ATOM 36849 H2 TIP3 609 24.558 76.228 55.856 1.00 0.00 WT3 H ATOM 36850 OH2 TIP3 612 79.219 10.313 56.522 1.00 0.00 WT3 O ATOM 36851 H1 TIP3 612 80.099 10.685 56.467 1.00 0.00 WT3 H ATOM 36852 H2 TIP3 612 79.321 9.410 56.223 1.00 0.00 WT3 H ATOM 36853 OH2 TIP3 613 20.646 5.221 66.075 1.00 0.00 WT3 O ATOM 36854 H1 TIP3 613 20.968 4.320 66.099 1.00 0.00 WT3 H ATOM 36855 H2 TIP3 613 20.891 5.540 65.206 1.00 0.00 WT3 H ATOM 36856 OH2 TIP3 615 47.060 70.732 55.184 1.00 0.00 WT3 O ATOM 36857 H1 TIP3 615 47.152 69.845 54.836 1.00 0.00 WT3 H ATOM 36858 H2 TIP3 615 46.936 71.281 54.410 1.00 0.00 WT3 H ATOM 36859 OH2 TIP3 617 36.979 2.776 64.353 1.00 0.00 WT3 O ATOM 36860 H1 TIP3 617 36.231 3.247 64.718 1.00 0.00 WT3 H ATOM 36861 H2 TIP3 617 37.710 3.389 64.428 1.00 0.00 WT3 H ATOM 36862 OH2 TIP3 618 48.218 15.235 26.341 1.00 0.00 WT3 O ATOM 36863 H1 TIP3 618 48.414 14.850 25.487 1.00 0.00 WT3 H ATOM 36864 H2 TIP3 618 47.338 15.599 26.244 1.00 0.00 WT3 H ATOM 36865 OH2 TIP3 620 65.991 50.351 13.958 1.00 0.00 WT3 O ATOM 36866 H1 TIP3 620 65.614 49.504 14.195 1.00 0.00 WT3 H ATOM 36867 H2 TIP3 620 65.545 50.979 14.527 1.00 0.00 WT3 H ATOM 36868 OH2 TIP3 621 73.159 47.375 61.328 1.00 0.00 WT3 O ATOM 36869 H1 TIP3 621 73.452 47.907 60.588 1.00 0.00 WT3 H ATOM 36870 H2 TIP3 621 72.222 47.560 61.400 1.00 0.00 WT3 H ATOM 36871 OH2 TIP3 623 24.026 16.649 40.148 1.00 0.00 WT3 O ATOM 36872 H1 TIP3 623 23.119 16.567 39.854 1.00 0.00 WT3 H ATOM 36873 H2 TIP3 623 24.448 17.186 39.478 1.00 0.00 WT3 H ATOM 36874 OH2 TIP3 624 76.737 78.788 65.104 1.00 0.00 WT3 O ATOM 36875 H1 TIP3 624 77.131 79.645 64.945 1.00 0.00 WT3 H ATOM 36876 H2 TIP3 624 77.208 78.194 64.519 1.00 0.00 WT3 H ATOM 36877 OH2 TIP3 625 81.372 80.943 53.588 1.00 0.00 WT3 O ATOM 36878 H1 TIP3 625 81.698 81.290 52.758 1.00 0.00 WT3 H ATOM 36879 H2 TIP3 625 81.808 80.096 53.682 1.00 0.00 WT3 H ATOM 36880 OH2 TIP3 626 77.877 57.411 17.530 1.00 0.00 WT3 O ATOM 36881 H1 TIP3 626 77.666 57.096 18.409 1.00 0.00 WT3 H ATOM 36882 H2 TIP3 626 77.892 58.365 17.614 1.00 0.00 WT3 H ATOM 36883 OH2 TIP3 627 28.444 89.283 21.433 1.00 0.00 WT3 O ATOM 36884 H1 TIP3 627 29.142 89.932 21.344 1.00 0.00 WT3 H ATOM 36885 H2 TIP3 627 28.903 88.447 21.516 1.00 0.00 WT3 H ATOM 36886 OH2 TIP3 628 64.265 88.768 22.955 1.00 0.00 WT3 O ATOM 36887 H1 TIP3 628 64.925 88.464 23.578 1.00 0.00 WT3 H ATOM 36888 H2 TIP3 628 64.462 89.696 22.831 1.00 0.00 WT3 H ATOM 36889 OH2 TIP3 630 52.751 89.192 -19.716 1.00 0.00 WT3 O ATOM 36890 H1 TIP3 630 52.158 88.989 -20.440 1.00 0.00 WT3 H ATOM 36891 H2 TIP3 630 52.212 89.684 -19.096 1.00 0.00 WT3 H ATOM 36892 OH2 TIP3 632 63.824 81.207 -16.526 1.00 0.00 WT3 O ATOM 36893 H1 TIP3 632 63.088 81.687 -16.145 1.00 0.00 WT3 H ATOM 36894 H2 TIP3 632 63.721 81.320 -17.471 1.00 0.00 WT3 H ATOM 36895 OH2 TIP3 634 33.318 54.270 11.200 1.00 0.00 WT3 O ATOM 36896 H1 TIP3 634 33.842 54.261 10.399 1.00 0.00 WT3 H ATOM 36897 H2 TIP3 634 33.917 54.587 11.875 1.00 0.00 WT3 H ATOM 36898 OH2 TIP3 635 30.939 54.662 8.205 1.00 0.00 WT3 O ATOM 36899 H1 TIP3 635 31.889 54.766 8.257 1.00 0.00 WT3 H ATOM 36900 H2 TIP3 635 30.803 53.716 8.158 1.00 0.00 WT3 H ATOM 36901 OH2 TIP3 638 57.626 15.062 19.333 1.00 0.00 WT3 O ATOM 36902 H1 TIP3 638 57.001 15.417 18.701 1.00 0.00 WT3 H ATOM 36903 H2 TIP3 638 58.452 15.012 18.852 1.00 0.00 WT3 H ATOM 36904 OH2 TIP3 639 85.960 33.996 -2.483 1.00 0.00 WT3 O ATOM 36905 H1 TIP3 639 86.538 34.036 -1.721 1.00 0.00 WT3 H ATOM 36906 H2 TIP3 639 85.182 34.489 -2.221 1.00 0.00 WT3 H ATOM 36907 OH2 TIP3 640 86.922 19.836 -18.798 1.00 0.00 WT3 O ATOM 36908 H1 TIP3 640 87.275 19.155 -19.370 1.00 0.00 WT3 H ATOM 36909 H2 TIP3 640 86.042 19.531 -18.576 1.00 0.00 WT3 H ATOM 36910 OH2 TIP3 643 21.384 56.941 23.861 1.00 0.00 WT3 O ATOM 36911 H1 TIP3 643 22.305 57.185 23.772 1.00 0.00 WT3 H ATOM 36912 H2 TIP3 643 21.108 56.720 22.972 1.00 0.00 WT3 H ATOM 36913 OH2 TIP3 644 30.869 73.583 4.788 1.00 0.00 WT3 O ATOM 36914 H1 TIP3 644 31.304 73.578 5.640 1.00 0.00 WT3 H ATOM 36915 H2 TIP3 644 30.805 74.510 4.556 1.00 0.00 WT3 H ATOM 36916 OH2 TIP3 647 73.399 57.097 32.758 1.00 0.00 WT3 O ATOM 36917 H1 TIP3 647 73.263 56.896 31.833 1.00 0.00 WT3 H ATOM 36918 H2 TIP3 647 72.522 57.076 33.140 1.00 0.00 WT3 H ATOM 36919 OH2 TIP3 648 77.159 96.016 14.919 1.00 0.00 WT3 O ATOM 36920 H1 TIP3 648 77.673 95.225 14.762 1.00 0.00 WT3 H ATOM 36921 H2 TIP3 648 76.825 95.913 15.810 1.00 0.00 WT3 H ATOM 36922 OH2 TIP3 649 38.401 92.153 0.689 1.00 0.00 WT3 O ATOM 36923 H1 TIP3 649 37.784 92.782 1.063 1.00 0.00 WT3 H ATOM 36924 H2 TIP3 649 37.896 91.344 0.603 1.00 0.00 WT3 H ATOM 36925 OH2 TIP3 650 74.807 75.940 32.272 1.00 0.00 WT3 O ATOM 36926 H1 TIP3 650 75.297 75.637 31.507 1.00 0.00 WT3 H ATOM 36927 H2 TIP3 650 74.850 76.895 32.222 1.00 0.00 WT3 H ATOM 36928 OH2 TIP3 651 59.528 77.293 -17.212 1.00 0.00 WT3 O ATOM 36929 H1 TIP3 651 59.566 76.389 -16.902 1.00 0.00 WT3 H ATOM 36930 H2 TIP3 651 59.388 77.219 -18.156 1.00 0.00 WT3 H ATOM 36931 OH2 TIP3 655 52.070 52.458 53.054 1.00 0.00 WT3 O ATOM 36932 H1 TIP3 655 51.459 52.761 52.383 1.00 0.00 WT3 H ATOM 36933 H2 TIP3 655 52.899 52.883 52.834 1.00 0.00 WT3 H ATOM 36934 OH2 TIP3 656 37.088 18.690 -6.652 1.00 0.00 WT3 O ATOM 36935 H1 TIP3 656 36.311 19.112 -7.021 1.00 0.00 WT3 H ATOM 36936 H2 TIP3 656 37.410 19.311 -5.999 1.00 0.00 WT3 H ATOM 36937 OH2 TIP3 659 24.810 70.046 -8.778 1.00 0.00 WT3 O ATOM 36938 H1 TIP3 659 23.906 70.121 -8.472 1.00 0.00 WT3 H ATOM 36939 H2 TIP3 659 25.314 69.847 -7.989 1.00 0.00 WT3 H ATOM 36940 OH2 TIP3 660 89.726 73.702 4.731 1.00 0.00 WT3 O ATOM 36941 H1 TIP3 660 89.696 73.244 3.891 1.00 0.00 WT3 H ATOM 36942 H2 TIP3 660 90.576 73.467 5.102 1.00 0.00 WT3 H ATOM 36943 OH2 TIP3 662 59.007 13.599 -9.091 1.00 0.00 WT3 O ATOM 36944 H1 TIP3 662 59.480 13.300 -9.867 1.00 0.00 WT3 H ATOM 36945 H2 TIP3 662 59.010 12.845 -8.502 1.00 0.00 WT3 H ATOM 36946 OH2 TIP3 664 24.453 44.066 22.169 1.00 0.00 WT3 O ATOM 36947 H1 TIP3 664 25.034 43.313 22.279 1.00 0.00 WT3 H ATOM 36948 H2 TIP3 664 23.973 44.122 22.995 1.00 0.00 WT3 H ATOM 36949 OH2 TIP3 666 83.131 48.635 55.499 1.00 0.00 WT3 O ATOM 36950 H1 TIP3 666 82.446 49.276 55.688 1.00 0.00 WT3 H ATOM 36951 H2 TIP3 666 83.950 49.101 55.669 1.00 0.00 WT3 H ATOM 36952 OH2 TIP3 668 83.625 87.874 21.365 1.00 0.00 WT3 O ATOM 36953 H1 TIP3 668 83.886 87.517 22.214 1.00 0.00 WT3 H ATOM 36954 H2 TIP3 668 83.882 87.202 20.733 1.00 0.00 WT3 H ATOM 36955 OH2 TIP3 669 23.192 89.287 4.848 1.00 0.00 WT3 O ATOM 36956 H1 TIP3 669 22.559 88.907 5.458 1.00 0.00 WT3 H ATOM 36957 H2 TIP3 669 23.250 90.207 5.104 1.00 0.00 WT3 H ATOM 36958 OH2 TIP3 670 52.170 19.254 -7.943 1.00 0.00 WT3 O ATOM 36959 H1 TIP3 670 52.501 19.522 -7.086 1.00 0.00 WT3 H ATOM 36960 H2 TIP3 670 52.301 18.306 -7.965 1.00 0.00 WT3 H ATOM 36961 OH2 TIP3 679 24.520 10.894 -7.109 1.00 0.00 WT3 O ATOM 36962 H1 TIP3 679 23.754 11.286 -7.527 1.00 0.00 WT3 H ATOM 36963 H2 TIP3 679 25.154 11.608 -7.050 1.00 0.00 WT3 H ATOM 36964 OH2 TIP3 682 75.556 94.606 31.785 1.00 0.00 WT3 O ATOM 36965 H1 TIP3 682 74.853 95.159 31.443 1.00 0.00 WT3 H ATOM 36966 H2 TIP3 682 76.194 95.223 32.143 1.00 0.00 WT3 H ATOM 36967 OH2 TIP3 695 67.519 83.177 15.539 1.00 0.00 WT3 O ATOM 36968 H1 TIP3 695 68.209 83.834 15.440 1.00 0.00 WT3 H ATOM 36969 H2 TIP3 695 67.898 82.518 16.121 1.00 0.00 WT3 H ATOM 36970 OH2 TIP3 697 35.131 29.264 -6.688 1.00 0.00 WT3 O ATOM 36971 H1 TIP3 697 35.834 29.380 -6.048 1.00 0.00 WT3 H ATOM 36972 H2 TIP3 697 35.426 28.541 -7.240 1.00 0.00 WT3 H ATOM 36973 OH2 TIP3 711 45.014 78.876 53.413 1.00 0.00 WT3 O ATOM 36974 H1 TIP3 711 44.661 77.987 53.435 1.00 0.00 WT3 H ATOM 36975 H2 TIP3 711 45.707 78.843 52.753 1.00 0.00 WT3 H ATOM 36976 OH2 TIP3 713 34.894 59.614 34.591 1.00 0.00 WT3 O ATOM 36977 H1 TIP3 713 35.343 60.419 34.331 1.00 0.00 WT3 H ATOM 36978 H2 TIP3 713 35.289 58.933 34.048 1.00 0.00 WT3 H ATOM 36979 OH2 TIP3 758 54.555 23.275 -12.437 1.00 0.00 WT3 O ATOM 36980 H1 TIP3 758 54.616 22.476 -11.914 1.00 0.00 WT3 H ATOM 36981 H2 TIP3 758 55.436 23.399 -12.790 1.00 0.00 WT3 H ATOM 36982 OH2 TIP3 805 32.215 65.319 55.564 1.00 0.00 WT3 O ATOM 36983 H1 TIP3 805 31.609 64.821 55.016 1.00 0.00 WT3 H ATOM 36984 H2 TIP3 805 32.706 65.862 54.947 1.00 0.00 WT3 H ATOM 36985 OH2 TIP3 821 43.917 64.621 49.376 1.00 0.00 WT3 O ATOM 36986 H1 TIP3 821 43.898 65.578 49.381 1.00 0.00 WT3 H ATOM 36987 H2 TIP3 821 44.661 64.398 48.818 1.00 0.00 WT3 H ATOM 36988 OH2 TIP3 822 63.065 89.266 8.950 1.00 0.00 WT3 O ATOM 36989 H1 TIP3 822 62.748 88.546 8.404 1.00 0.00 WT3 H ATOM 36990 H2 TIP3 822 62.291 89.564 9.427 1.00 0.00 WT3 H ATOM 36991 OH2 TIP3 825 87.648 57.764 18.508 1.00 0.00 WT3 O ATOM 36992 H1 TIP3 825 87.065 57.117 18.111 1.00 0.00 WT3 H ATOM 36993 H2 TIP3 825 87.062 58.449 18.830 1.00 0.00 WT3 H ATOM 36994 OH2 TIP3 835 39.002 7.463 22.015 1.00 0.00 WT3 O ATOM 36995 H1 TIP3 835 38.606 6.664 21.665 1.00 0.00 WT3 H ATOM 36996 H2 TIP3 835 39.903 7.446 21.690 1.00 0.00 WT3 H ATOM 36997 OH2 TIP3 836 38.459 22.067 -11.458 1.00 0.00 WT3 O ATOM 36998 H1 TIP3 836 38.834 21.230 -11.734 1.00 0.00 WT3 H ATOM 36999 H2 TIP3 836 39.176 22.513 -11.006 1.00 0.00 WT3 H ATOM 37000 OH2 TIP3 848 79.081 26.928 28.560 1.00 0.00 WT3 O ATOM 37001 H1 TIP3 848 79.266 26.855 27.624 1.00 0.00 WT3 H ATOM 37002 H2 TIP3 848 79.634 26.261 28.967 1.00 0.00 WT3 H ATOM 37003 OH2 TIP3 849 27.495 84.019 12.874 1.00 0.00 WT3 O ATOM 37004 H1 TIP3 849 27.839 83.238 13.309 1.00 0.00 WT3 H ATOM 37005 H2 TIP3 849 26.771 83.695 12.338 1.00 0.00 WT3 H ATOM 37006 OH2 TIP3 852 70.453 12.413 58.030 1.00 0.00 WT3 O ATOM 37007 H1 TIP3 852 70.089 11.705 57.499 1.00 0.00 WT3 H ATOM 37008 H2 TIP3 852 71.397 12.367 57.878 1.00 0.00 WT3 H ATOM 37009 OH2 TIP3 854 26.280 69.915 1.602 1.00 0.00 WT3 O ATOM 37010 H1 TIP3 854 25.348 69.727 1.494 1.00 0.00 WT3 H ATOM 37011 H2 TIP3 854 26.304 70.753 2.065 1.00 0.00 WT3 H ATOM 37012 OH2 TIP3 855 38.469 90.208 39.342 1.00 0.00 WT3 O ATOM 37013 H1 TIP3 855 38.877 89.357 39.498 1.00 0.00 WT3 H ATOM 37014 H2 TIP3 855 37.986 90.394 40.147 1.00 0.00 WT3 H ATOM 37015 OH2 TIP3 858 85.257 41.913 3.149 1.00 0.00 WT3 O ATOM 37016 H1 TIP3 858 85.986 41.424 2.769 1.00 0.00 WT3 H ATOM 37017 H2 TIP3 858 84.483 41.590 2.687 1.00 0.00 WT3 H ATOM 37018 OH2 TIP3 860 25.804 87.328 54.021 1.00 0.00 WT3 O ATOM 37019 H1 TIP3 860 25.372 86.492 53.846 1.00 0.00 WT3 H ATOM 37020 H2 TIP3 860 26.185 87.581 53.180 1.00 0.00 WT3 H ATOM 37021 OH2 TIP3 866 70.834 11.727 -10.194 1.00 0.00 WT3 O ATOM 37022 H1 TIP3 866 71.370 12.514 -10.290 1.00 0.00 WT3 H ATOM 37023 H2 TIP3 866 71.451 11.002 -10.299 1.00 0.00 WT3 H ATOM 37024 OH2 TIP3 867 21.070 59.488 53.348 1.00 0.00 WT3 O ATOM 37025 H1 TIP3 867 20.138 59.701 53.397 1.00 0.00 WT3 H ATOM 37026 H2 TIP3 867 21.402 59.658 54.229 1.00 0.00 WT3 H ATOM 37027 OH2 TIP3 879 55.021 28.905 41.873 1.00 0.00 WT3 O ATOM 37028 H1 TIP3 879 54.953 28.486 42.731 1.00 0.00 WT3 H ATOM 37029 H2 TIP3 879 55.235 28.191 41.273 1.00 0.00 WT3 H ATOM 37030 OH2 TIP3 881 62.057 71.480 25.213 1.00 0.00 WT3 O ATOM 37031 H1 TIP3 881 61.730 70.589 25.094 1.00 0.00 WT3 H ATOM 37032 H2 TIP3 881 61.282 72.034 25.121 1.00 0.00 WT3 H ATOM 37033 OH2 TIP3 882 89.771 69.122 50.674 1.00 0.00 WT3 O ATOM 37034 H1 TIP3 882 89.417 69.757 50.050 1.00 0.00 WT3 H ATOM 37035 H2 TIP3 882 90.698 69.054 50.447 1.00 0.00 WT3 H ATOM 37036 OH2 TIP3 886 83.071 57.938 52.948 1.00 0.00 WT3 O ATOM 37037 H1 TIP3 886 83.014 57.292 53.651 1.00 0.00 WT3 H ATOM 37038 H2 TIP3 886 82.625 58.711 53.295 1.00 0.00 WT3 H ATOM 37039 OH2 TIP3 887 45.700 91.887 -2.771 1.00 0.00 WT3 O ATOM 37040 H1 TIP3 887 45.646 92.701 -2.271 1.00 0.00 WT3 H ATOM 37041 H2 TIP3 887 46.634 91.681 -2.794 1.00 0.00 WT3 H ATOM 37042 OH2 TIP3 889 47.209 37.789 10.040 1.00 0.00 WT3 O ATOM 37043 H1 TIP3 889 47.303 37.495 10.946 1.00 0.00 WT3 H ATOM 37044 H2 TIP3 889 48.033 37.542 9.621 1.00 0.00 WT3 H ATOM 37045 OH2 TIP3 890 58.270 67.064 31.173 1.00 0.00 WT3 O ATOM 37046 H1 TIP3 890 57.793 67.877 31.338 1.00 0.00 WT3 H ATOM 37047 H2 TIP3 890 57.647 66.513 30.699 1.00 0.00 WT3 H ATOM 37048 OH2 TIP3 891 37.196 88.482 22.010 1.00 0.00 WT3 O ATOM 37049 H1 TIP3 891 38.032 88.016 21.974 1.00 0.00 WT3 H ATOM 37050 H2 TIP3 891 36.570 87.882 21.606 1.00 0.00 WT3 H ATOM 37051 OH2 TIP3 894 89.416 82.828 49.327 1.00 0.00 WT3 O ATOM 37052 H1 TIP3 894 89.874 82.511 48.549 1.00 0.00 WT3 H ATOM 37053 H2 TIP3 894 90.064 83.364 49.785 1.00 0.00 WT3 H ATOM 37054 OH2 TIP3 895 85.320 36.922 26.088 1.00 0.00 WT3 O ATOM 37055 H1 TIP3 895 85.646 37.806 26.259 1.00 0.00 WT3 H ATOM 37056 H2 TIP3 895 85.683 36.694 25.232 1.00 0.00 WT3 H ATOM 37057 OH2 TIP3 896 37.318 82.305 29.095 1.00 0.00 WT3 O ATOM 37058 H1 TIP3 896 37.634 81.477 29.458 1.00 0.00 WT3 H ATOM 37059 H2 TIP3 896 36.813 82.701 29.805 1.00 0.00 WT3 H ATOM 37060 OH2 TIP3 897 39.470 36.754 42.621 1.00 0.00 WT3 O ATOM 37061 H1 TIP3 897 38.862 36.780 41.881 1.00 0.00 WT3 H ATOM 37062 H2 TIP3 897 40.283 37.124 42.276 1.00 0.00 WT3 H ATOM 37063 OH2 TIP3 899 50.601 84.925 55.652 1.00 0.00 WT3 O ATOM 37064 H1 TIP3 899 50.933 84.163 55.177 1.00 0.00 WT3 H ATOM 37065 H2 TIP3 899 50.590 84.650 56.569 1.00 0.00 WT3 H ATOM 37066 OH2 TIP3 903 37.653 70.463 -2.394 1.00 0.00 WT3 O ATOM 37067 H1 TIP3 903 37.605 70.760 -1.485 1.00 0.00 WT3 H ATOM 37068 H2 TIP3 903 38.345 69.802 -2.394 1.00 0.00 WT3 H ATOM 37069 OH2 TIP3 906 71.617 80.440 17.976 1.00 0.00 WT3 O ATOM 37070 H1 TIP3 906 71.444 79.526 18.203 1.00 0.00 WT3 H ATOM 37071 H2 TIP3 906 71.935 80.406 17.073 1.00 0.00 WT3 H ATOM 37072 OH2 TIP3 907 72.903 7.963 50.471 1.00 0.00 WT3 O ATOM 37073 H1 TIP3 907 72.467 8.020 51.321 1.00 0.00 WT3 H ATOM 37074 H2 TIP3 907 73.829 7.848 50.684 1.00 0.00 WT3 H ATOM 37075 OH2 TIP3 908 22.741 80.594 61.906 1.00 0.00 WT3 O ATOM 37076 H1 TIP3 908 23.398 80.400 62.574 1.00 0.00 WT3 H ATOM 37077 H2 TIP3 908 22.257 81.342 62.255 1.00 0.00 WT3 H ATOM 37078 OH2 TIP3 911 39.567 69.202 6.566 1.00 0.00 WT3 O ATOM 37079 H1 TIP3 911 39.881 68.300 6.622 1.00 0.00 WT3 H ATOM 37080 H2 TIP3 911 39.471 69.480 7.477 1.00 0.00 WT3 H ATOM 37081 OH2 TIP3 912 26.405 34.930 1.050 1.00 0.00 WT3 O ATOM 37082 H1 TIP3 912 26.508 35.881 1.074 1.00 0.00 WT3 H ATOM 37083 H2 TIP3 912 26.871 34.658 0.260 1.00 0.00 WT3 H ATOM 37084 OH2 TIP3 916 63.948 6.300 8.377 1.00 0.00 WT3 O ATOM 37085 H1 TIP3 916 64.198 7.104 7.920 1.00 0.00 WT3 H ATOM 37086 H2 TIP3 916 63.915 5.634 7.691 1.00 0.00 WT3 H ATOM 37087 OH2 TIP3 917 41.176 48.395 62.265 1.00 0.00 WT3 O ATOM 37088 H1 TIP3 917 41.912 49.001 62.177 1.00 0.00 WT3 H ATOM 37089 H2 TIP3 917 40.959 48.149 61.366 1.00 0.00 WT3 H ATOM 37090 OH2 TIP3 918 81.142 32.899 43.132 1.00 0.00 WT3 O ATOM 37091 H1 TIP3 918 81.038 32.167 42.524 1.00 0.00 WT3 H ATOM 37092 H2 TIP3 918 82.017 32.780 43.502 1.00 0.00 WT3 H ATOM 37093 OH2 TIP3 919 52.664 64.400 7.281 1.00 0.00 WT3 O ATOM 37094 H1 TIP3 919 53.513 64.753 7.016 1.00 0.00 WT3 H ATOM 37095 H2 TIP3 919 52.654 64.489 8.234 1.00 0.00 WT3 H ATOM 37096 OH2 TIP3 921 35.656 67.157 43.943 1.00 0.00 WT3 O ATOM 37097 H1 TIP3 921 35.716 66.773 43.069 1.00 0.00 WT3 H ATOM 37098 H2 TIP3 921 36.560 67.372 44.174 1.00 0.00 WT3 H ATOM 37099 OH2 TIP3 924 55.265 94.554 9.558 1.00 0.00 WT3 O ATOM 37100 H1 TIP3 924 54.370 94.216 9.529 1.00 0.00 WT3 H ATOM 37101 H2 TIP3 924 55.242 95.240 10.224 1.00 0.00 WT3 H ATOM 37102 OH2 TIP3 927 60.270 84.164 30.058 1.00 0.00 WT3 O ATOM 37103 H1 TIP3 927 60.079 84.037 30.987 1.00 0.00 WT3 H ATOM 37104 H2 TIP3 927 60.493 83.291 29.737 1.00 0.00 WT3 H ATOM 37105 OH2 TIP3 928 37.344 53.525 66.966 1.00 0.00 WT3 O ATOM 37106 H1 TIP3 928 37.421 52.585 66.802 1.00 0.00 WT3 H ATOM 37107 H2 TIP3 928 38.236 53.807 67.169 1.00 0.00 WT3 H ATOM 37108 OH2 TIP3 929 54.900 82.075 35.386 1.00 0.00 WT3 O ATOM 37109 H1 TIP3 929 55.347 81.824 34.578 1.00 0.00 WT3 H ATOM 37110 H2 TIP3 929 54.643 82.986 35.244 1.00 0.00 WT3 H ATOM 37111 OH2 TIP3 930 85.529 13.632 59.759 1.00 0.00 WT3 O ATOM 37112 H1 TIP3 930 85.210 14.479 60.071 1.00 0.00 WT3 H ATOM 37113 H2 TIP3 930 85.478 13.060 60.525 1.00 0.00 WT3 H ATOM 37114 OH2 TIP3 932 66.583 62.167 34.947 1.00 0.00 WT3 O ATOM 37115 H1 TIP3 932 66.457 62.958 34.423 1.00 0.00 WT3 H ATOM 37116 H2 TIP3 932 65.722 61.750 34.963 1.00 0.00 WT3 H ATOM 37117 OH2 TIP3 933 55.197 89.931 66.699 1.00 0.00 WT3 O ATOM 37118 H1 TIP3 933 55.186 90.875 66.543 1.00 0.00 WT3 H ATOM 37119 H2 TIP3 933 54.321 89.732 67.029 1.00 0.00 WT3 H ATOM 37120 OH2 TIP3 936 88.957 49.918 59.616 1.00 0.00 WT3 O ATOM 37121 H1 TIP3 936 88.387 49.200 59.341 1.00 0.00 WT3 H ATOM 37122 H2 TIP3 936 89.112 49.759 60.547 1.00 0.00 WT3 H ATOM 37123 OH2 TIP3 937 83.670 4.578 6.344 1.00 0.00 WT3 O ATOM 37124 H1 TIP3 937 84.172 5.326 6.665 1.00 0.00 WT3 H ATOM 37125 H2 TIP3 937 84.109 4.325 5.532 1.00 0.00 WT3 H ATOM 37126 OH2 TIP3 938 35.578 74.478 50.401 1.00 0.00 WT3 O ATOM 37127 H1 TIP3 938 36.128 75.130 50.835 1.00 0.00 WT3 H ATOM 37128 H2 TIP3 938 35.953 73.636 50.659 1.00 0.00 WT3 H ATOM 37129 OH2 TIP3 939 48.804 51.514 -4.189 1.00 0.00 WT3 O ATOM 37130 H1 TIP3 939 48.544 50.599 -4.081 1.00 0.00 WT3 H ATOM 37131 H2 TIP3 939 48.992 51.816 -3.300 1.00 0.00 WT3 H ATOM 37132 OH2 TIP3 940 65.097 47.796 42.210 1.00 0.00 WT3 O ATOM 37133 H1 TIP3 940 64.194 47.550 42.006 1.00 0.00 WT3 H ATOM 37134 H2 TIP3 940 65.117 48.747 42.100 1.00 0.00 WT3 H ATOM 37135 OH2 TIP3 941 28.061 21.702 63.821 1.00 0.00 WT3 O ATOM 37136 H1 TIP3 941 28.972 21.932 63.638 1.00 0.00 WT3 H ATOM 37137 H2 TIP3 941 27.570 22.056 63.080 1.00 0.00 WT3 H ATOM 37138 OH2 TIP3 942 35.751 60.190 12.960 1.00 0.00 WT3 O ATOM 37139 H1 TIP3 942 36.561 60.626 12.694 1.00 0.00 WT3 H ATOM 37140 H2 TIP3 942 35.877 59.996 13.889 1.00 0.00 WT3 H ATOM 37141 OH2 TIP3 944 73.089 75.261 -13.290 1.00 0.00 WT3 O ATOM 37142 H1 TIP3 944 73.010 74.731 -14.082 1.00 0.00 WT3 H ATOM 37143 H2 TIP3 944 72.421 74.911 -12.699 1.00 0.00 WT3 H ATOM 37144 OH2 TIP3 946 24.019 23.711 21.793 1.00 0.00 WT3 O ATOM 37145 H1 TIP3 946 23.928 22.758 21.806 1.00 0.00 WT3 H ATOM 37146 H2 TIP3 946 24.668 23.900 22.471 1.00 0.00 WT3 H ATOM 37147 OH2 TIP3 947 41.885 94.057 7.906 1.00 0.00 WT3 O ATOM 37148 H1 TIP3 947 42.144 93.260 8.369 1.00 0.00 WT3 H ATOM 37149 H2 TIP3 947 42.561 94.177 7.239 1.00 0.00 WT3 H ATOM 37150 OH2 TIP3 948 53.130 69.516 65.944 1.00 0.00 WT3 O ATOM 37151 H1 TIP3 948 53.802 69.271 66.580 1.00 0.00 WT3 H ATOM 37152 H2 TIP3 948 52.347 69.047 66.229 1.00 0.00 WT3 H ATOM 37153 OH2 TIP3 949 35.821 59.988 46.745 1.00 0.00 WT3 O ATOM 37154 H1 TIP3 949 35.466 60.194 45.881 1.00 0.00 WT3 H ATOM 37155 H2 TIP3 949 36.704 60.357 46.736 1.00 0.00 WT3 H ATOM 37156 OH2 TIP3 950 34.842 29.605 0.403 1.00 0.00 WT3 O ATOM 37157 H1 TIP3 950 34.321 29.502 -0.394 1.00 0.00 WT3 H ATOM 37158 H2 TIP3 950 34.195 29.730 1.098 1.00 0.00 WT3 H ATOM 37159 OH2 TIP3 951 33.313 36.776 -11.502 1.00 0.00 WT3 O ATOM 37160 H1 TIP3 951 33.992 36.799 -12.177 1.00 0.00 WT3 H ATOM 37161 H2 TIP3 951 33.665 36.196 -10.827 1.00 0.00 WT3 H ATOM 37162 OH2 TIP3 952 20.260 84.588 -18.113 1.00 0.00 WT3 O ATOM 37163 H1 TIP3 952 21.172 84.346 -18.277 1.00 0.00 WT3 H ATOM 37164 H2 TIP3 952 19.938 84.897 -18.960 1.00 0.00 WT3 H ATOM 37165 OH2 TIP3 953 76.838 24.505 -3.742 1.00 0.00 WT3 O ATOM 37166 H1 TIP3 953 76.535 25.351 -4.074 1.00 0.00 WT3 H ATOM 37167 H2 TIP3 953 76.363 23.859 -4.265 1.00 0.00 WT3 H ATOM 37168 OH2 TIP3 954 68.902 91.431 51.302 1.00 0.00 WT3 O ATOM 37169 H1 TIP3 954 68.648 90.968 52.100 1.00 0.00 WT3 H ATOM 37170 H2 TIP3 954 69.417 90.793 50.808 1.00 0.00 WT3 H ATOM 37171 OH2 TIP3 956 32.113 6.721 -16.560 1.00 0.00 WT3 O ATOM 37172 H1 TIP3 956 31.515 7.203 -15.990 1.00 0.00 WT3 H ATOM 37173 H2 TIP3 956 32.287 5.905 -16.090 1.00 0.00 WT3 H ATOM 37174 OH2 TIP3 957 43.688 61.819 -16.365 1.00 0.00 WT3 O ATOM 37175 H1 TIP3 957 43.855 62.314 -15.563 1.00 0.00 WT3 H ATOM 37176 H2 TIP3 957 43.184 61.058 -16.077 1.00 0.00 WT3 H ATOM 37177 OH2 TIP3 958 77.836 77.016 44.587 1.00 0.00 WT3 O ATOM 37178 H1 TIP3 958 77.763 76.536 45.412 1.00 0.00 WT3 H ATOM 37179 H2 TIP3 958 78.749 77.302 44.555 1.00 0.00 WT3 H ATOM 37180 OH2 TIP3 959 50.434 73.264 41.975 1.00 0.00 WT3 O ATOM 37181 H1 TIP3 959 49.740 73.675 41.460 1.00 0.00 WT3 H ATOM 37182 H2 TIP3 959 50.132 72.366 42.111 1.00 0.00 WT3 H ATOM 37183 OH2 TIP3 960 60.243 29.377 65.564 1.00 0.00 WT3 O ATOM 37184 H1 TIP3 960 60.041 30.263 65.264 1.00 0.00 WT3 H ATOM 37185 H2 TIP3 960 60.436 29.477 66.496 1.00 0.00 WT3 H ATOM 37186 OH2 TIP3 961 70.584 9.714 56.550 1.00 0.00 WT3 O ATOM 37187 H1 TIP3 961 70.294 9.574 57.451 1.00 0.00 WT3 H ATOM 37188 H2 TIP3 961 70.249 8.956 56.069 1.00 0.00 WT3 H ATOM 37189 OH2 TIP3 962 74.363 34.018 0.364 1.00 0.00 WT3 O ATOM 37190 H1 TIP3 962 73.672 33.701 0.946 1.00 0.00 WT3 H ATOM 37191 H2 TIP3 962 75.177 33.745 0.787 1.00 0.00 WT3 H ATOM 37192 OH2 TIP3 963 60.370 39.441 -4.859 1.00 0.00 WT3 O ATOM 37193 H1 TIP3 963 60.313 38.613 -4.383 1.00 0.00 WT3 H ATOM 37194 H2 TIP3 963 60.612 40.085 -4.193 1.00 0.00 WT3 H ATOM 37195 OH2 TIP3 964 86.566 44.950 -11.402 1.00 0.00 WT3 O ATOM 37196 H1 TIP3 964 86.636 45.432 -10.577 1.00 0.00 WT3 H ATOM 37197 H2 TIP3 964 85.920 44.266 -11.226 1.00 0.00 WT3 H ATOM 37198 OH2 TIP3 965 54.743 12.986 37.432 1.00 0.00 WT3 O ATOM 37199 H1 TIP3 965 54.733 13.741 36.844 1.00 0.00 WT3 H ATOM 37200 H2 TIP3 965 54.061 13.174 38.076 1.00 0.00 WT3 H ATOM 37201 OH2 TIP3 966 63.589 23.924 -13.861 1.00 0.00 WT3 O ATOM 37202 H1 TIP3 966 62.908 24.368 -13.357 1.00 0.00 WT3 H ATOM 37203 H2 TIP3 966 63.552 24.331 -14.727 1.00 0.00 WT3 H ATOM 37204 OH2 TIP3 967 37.642 42.387 63.417 1.00 0.00 WT3 O ATOM 37205 H1 TIP3 967 38.299 42.340 62.722 1.00 0.00 WT3 H ATOM 37206 H2 TIP3 967 38.112 42.125 64.208 1.00 0.00 WT3 H ATOM 37207 OH2 TIP3 970 83.250 71.368 37.390 1.00 0.00 WT3 O ATOM 37208 H1 TIP3 970 83.315 70.455 37.110 1.00 0.00 WT3 H ATOM 37209 H2 TIP3 970 84.086 71.758 37.135 1.00 0.00 WT3 H ATOM 37210 OH2 TIP3 971 69.634 52.345 22.908 1.00 0.00 WT3 O ATOM 37211 H1 TIP3 971 69.279 53.020 23.486 1.00 0.00 WT3 H ATOM 37212 H2 TIP3 971 69.554 52.715 22.029 1.00 0.00 WT3 H ATOM 37213 OH2 TIP3 972 59.207 95.284 17.554 1.00 0.00 WT3 O ATOM 37214 H1 TIP3 972 59.176 95.864 16.793 1.00 0.00 WT3 H ATOM 37215 H2 TIP3 972 58.488 95.582 18.112 1.00 0.00 WT3 H ATOM 37216 OH2 TIP3 973 77.818 80.455 -3.383 1.00 0.00 WT3 O ATOM 37217 H1 TIP3 973 78.679 80.415 -3.799 1.00 0.00 WT3 H ATOM 37218 H2 TIP3 973 77.890 81.171 -2.751 1.00 0.00 WT3 H ATOM 37219 OH2 TIP3 974 88.125 40.916 -6.257 1.00 0.00 WT3 O ATOM 37220 H1 TIP3 974 88.976 40.894 -6.696 1.00 0.00 WT3 H ATOM 37221 H2 TIP3 974 87.722 41.730 -6.558 1.00 0.00 WT3 H ATOM 37222 OH2 TIP3 975 73.659 90.484 29.116 1.00 0.00 WT3 O ATOM 37223 H1 TIP3 975 73.874 90.128 29.978 1.00 0.00 WT3 H ATOM 37224 H2 TIP3 975 72.710 90.602 29.135 1.00 0.00 WT3 H ATOM 37225 OH2 TIP3 976 33.095 84.823 17.995 1.00 0.00 WT3 O ATOM 37226 H1 TIP3 976 33.727 84.578 18.671 1.00 0.00 WT3 H ATOM 37227 H2 TIP3 976 32.251 84.533 18.339 1.00 0.00 WT3 H ATOM 37228 OH2 TIP3 977 51.391 59.566 44.756 1.00 0.00 WT3 O ATOM 37229 H1 TIP3 977 50.906 60.148 44.171 1.00 0.00 WT3 H ATOM 37230 H2 TIP3 977 52.155 59.295 44.247 1.00 0.00 WT3 H ATOM 37231 OH2 TIP3 978 28.116 66.656 -6.300 1.00 0.00 WT3 O ATOM 37232 H1 TIP3 978 28.305 67.593 -6.347 1.00 0.00 WT3 H ATOM 37233 H2 TIP3 978 27.977 66.485 -5.368 1.00 0.00 WT3 H ATOM 37234 OH2 TIP3 979 47.539 46.843 38.825 1.00 0.00 WT3 O ATOM 37235 H1 TIP3 979 47.071 46.008 38.809 1.00 0.00 WT3 H ATOM 37236 H2 TIP3 979 46.850 47.506 38.774 1.00 0.00 WT3 H ATOM 37237 OH2 TIP3 980 25.166 48.619 40.779 1.00 0.00 WT3 O ATOM 37238 H1 TIP3 980 25.995 48.163 40.927 1.00 0.00 WT3 H ATOM 37239 H2 TIP3 980 25.209 49.387 41.349 1.00 0.00 WT3 H ATOM 37240 OH2 TIP3 982 53.291 85.876 20.061 1.00 0.00 WT3 O ATOM 37241 H1 TIP3 982 52.700 85.498 20.712 1.00 0.00 WT3 H ATOM 37242 H2 TIP3 982 53.724 86.596 20.520 1.00 0.00 WT3 H ATOM 37243 OH2 TIP3 983 47.974 82.408 67.184 1.00 0.00 WT3 O ATOM 37244 H1 TIP3 983 47.516 81.880 66.531 1.00 0.00 WT3 H ATOM 37245 H2 TIP3 983 47.524 82.217 68.007 1.00 0.00 WT3 H ATOM 37246 OH2 TIP3 984 45.834 67.627 50.718 1.00 0.00 WT3 O ATOM 37247 H1 TIP3 984 46.560 67.182 50.281 1.00 0.00 WT3 H ATOM 37248 H2 TIP3 984 45.051 67.305 50.272 1.00 0.00 WT3 H ATOM 37249 OH2 TIP3 985 43.160 58.375 7.972 1.00 0.00 WT3 O ATOM 37250 H1 TIP3 985 43.650 59.138 7.664 1.00 0.00 WT3 H ATOM 37251 H2 TIP3 985 43.539 58.176 8.828 1.00 0.00 WT3 H ATOM 37252 OH2 TIP3 986 40.409 26.156 33.254 1.00 0.00 WT3 O ATOM 37253 H1 TIP3 986 41.225 25.658 33.309 1.00 0.00 WT3 H ATOM 37254 H2 TIP3 986 40.665 27.058 33.446 1.00 0.00 WT3 H ATOM 37255 OH2 TIP3 988 81.899 91.814 -16.041 1.00 0.00 WT3 O ATOM 37256 H1 TIP3 988 81.777 92.762 -15.992 1.00 0.00 WT3 H ATOM 37257 H2 TIP3 988 81.734 91.598 -16.959 1.00 0.00 WT3 H ATOM 37258 OH2 TIP3 992 87.650 13.775 3.419 1.00 0.00 WT3 O ATOM 37259 H1 TIP3 992 87.524 13.195 4.170 1.00 0.00 WT3 H ATOM 37260 H2 TIP3 992 88.568 14.042 3.474 1.00 0.00 WT3 H ATOM 37261 OH2 TIP3 993 72.621 41.850 4.735 1.00 0.00 WT3 O ATOM 37262 H1 TIP3 993 72.776 41.599 5.646 1.00 0.00 WT3 H ATOM 37263 H2 TIP3 993 71.777 42.302 4.752 1.00 0.00 WT3 H ATOM 37264 OH2 TIP3 994 41.212 77.003 8.813 1.00 0.00 WT3 O ATOM 37265 H1 TIP3 994 41.382 76.082 8.618 1.00 0.00 WT3 H ATOM 37266 H2 TIP3 994 41.364 77.080 9.755 1.00 0.00 WT3 H ATOM 37267 OH2 TIP3 995 78.156 33.552 -15.195 1.00 0.00 WT3 O ATOM 37268 H1 TIP3 995 77.776 32.731 -14.882 1.00 0.00 WT3 H ATOM 37269 H2 TIP3 995 79.068 33.335 -15.391 1.00 0.00 WT3 H ATOM 37270 OH2 TIP3 996 30.538 72.894 -7.399 1.00 0.00 WT3 O ATOM 37271 H1 TIP3 996 30.957 73.262 -8.177 1.00 0.00 WT3 H ATOM 37272 H2 TIP3 996 31.236 72.858 -6.745 1.00 0.00 WT3 H ATOM 37273 OH2 TIP3 997 37.247 47.955 61.113 1.00 0.00 WT3 O ATOM 37274 H1 TIP3 997 37.578 48.355 60.309 1.00 0.00 WT3 H ATOM 37275 H2 TIP3 997 37.349 47.014 60.973 1.00 0.00 WT3 H ATOM 37276 OH2 TIP3 998 44.153 87.890 25.119 1.00 0.00 WT3 O ATOM 37277 H1 TIP3 998 43.650 87.108 24.890 1.00 0.00 WT3 H ATOM 37278 H2 TIP3 998 44.942 87.834 24.580 1.00 0.00 WT3 H ATOM 37279 OH2 TIP3 999 24.712 21.149 64.299 1.00 0.00 WT3 O ATOM 37280 H1 TIP3 999 24.409 21.433 63.437 1.00 0.00 WT3 H ATOM 37281 H2 TIP3 999 25.663 21.087 64.211 1.00 0.00 WT3 H ATOM 37282 OH2 TIP3 1000 26.588 70.571 10.913 1.00 0.00 WT3 O ATOM 37283 H1 TIP3 1000 26.847 70.452 11.827 1.00 0.00 WT3 H ATOM 37284 H2 TIP3 1000 25.725 70.162 10.854 1.00 0.00 WT3 H ATOM 37285 OH2 TIP3 1001 67.389 27.105 35.903 1.00 0.00 WT3 O ATOM 37286 H1 TIP3 1001 67.936 26.363 36.161 1.00 0.00 WT3 H ATOM 37287 H2 TIP3 1001 67.030 27.437 36.725 1.00 0.00 WT3 H ATOM 37288 OH2 TIP3 1002 22.212 47.371 51.054 1.00 0.00 WT3 O ATOM 37289 H1 TIP3 1002 22.465 46.568 50.598 1.00 0.00 WT3 H ATOM 37290 H2 TIP3 1002 21.271 47.276 51.203 1.00 0.00 WT3 H ATOM 37291 OH2 TIP3 1003 68.020 43.120 29.629 1.00 0.00 WT3 O ATOM 37292 H1 TIP3 1003 68.323 43.179 30.535 1.00 0.00 WT3 H ATOM 37293 H2 TIP3 1003 67.129 43.469 29.650 1.00 0.00 WT3 H ATOM 37294 OH2 TIP3 1004 50.397 93.390 22.065 1.00 0.00 WT3 O ATOM 37295 H1 TIP3 1004 49.647 92.931 21.688 1.00 0.00 WT3 H ATOM 37296 H2 TIP3 1004 50.365 93.178 22.998 1.00 0.00 WT3 H ATOM 37297 OH2 TIP3 1005 64.012 70.360 65.348 1.00 0.00 WT3 O ATOM 37298 H1 TIP3 1005 63.659 70.032 64.521 1.00 0.00 WT3 H ATOM 37299 H2 TIP3 1005 63.734 71.276 65.381 1.00 0.00 WT3 H ATOM 37300 OH2 TIP3 1006 61.715 96.443 -5.120 1.00 0.00 WT3 O ATOM 37301 H1 TIP3 1006 61.737 97.326 -4.750 1.00 0.00 WT3 H ATOM 37302 H2 TIP3 1006 61.573 95.871 -4.367 1.00 0.00 WT3 H ATOM 37303 OH2 TIP3 1007 27.017 32.400 40.891 1.00 0.00 WT3 O ATOM 37304 H1 TIP3 1007 27.722 31.988 41.390 1.00 0.00 WT3 H ATOM 37305 H2 TIP3 1007 26.827 31.780 40.187 1.00 0.00 WT3 H ATOM 37306 OH2 TIP3 1009 79.851 27.460 15.752 1.00 0.00 WT3 O ATOM 37307 H1 TIP3 1009 80.432 27.979 16.308 1.00 0.00 WT3 H ATOM 37308 H2 TIP3 1009 79.010 27.471 16.208 1.00 0.00 WT3 H ATOM 37309 OH2 TIP3 1010 80.382 84.239 51.934 1.00 0.00 WT3 O ATOM 37310 H1 TIP3 1010 80.931 83.800 52.584 1.00 0.00 WT3 H ATOM 37311 H2 TIP3 1010 79.704 83.598 51.721 1.00 0.00 WT3 H ATOM 37312 OH2 TIP3 1011 81.833 82.858 4.523 1.00 0.00 WT3 O ATOM 37313 H1 TIP3 1011 82.179 81.988 4.722 1.00 0.00 WT3 H ATOM 37314 H2 TIP3 1011 82.578 83.447 4.642 1.00 0.00 WT3 H ATOM 37315 OH2 TIP3 1012 75.733 72.272 47.913 1.00 0.00 WT3 O ATOM 37316 H1 TIP3 1012 75.049 71.711 48.279 1.00 0.00 WT3 H ATOM 37317 H2 TIP3 1012 75.260 72.905 47.373 1.00 0.00 WT3 H ATOM 37318 OH2 TIP3 1013 70.567 65.999 41.413 1.00 0.00 WT3 O ATOM 37319 H1 TIP3 1013 70.023 66.294 40.682 1.00 0.00 WT3 H ATOM 37320 H2 TIP3 1013 70.709 65.067 41.245 1.00 0.00 WT3 H ATOM 37321 OH2 TIP3 1014 65.206 52.088 29.413 1.00 0.00 WT3 O ATOM 37322 H1 TIP3 1014 64.362 51.707 29.173 1.00 0.00 WT3 H ATOM 37323 H2 TIP3 1014 65.036 53.028 29.475 1.00 0.00 WT3 H ATOM 37324 OH2 TIP3 1015 56.633 45.449 46.633 1.00 0.00 WT3 O ATOM 37325 H1 TIP3 1015 56.404 44.993 47.443 1.00 0.00 WT3 H ATOM 37326 H2 TIP3 1015 57.570 45.628 46.715 1.00 0.00 WT3 H ATOM 37327 OH2 TIP3 1017 53.921 21.448 66.850 1.00 0.00 WT3 O ATOM 37328 H1 TIP3 1017 53.122 21.055 66.499 1.00 0.00 WT3 H ATOM 37329 H2 TIP3 1017 53.751 22.389 66.838 1.00 0.00 WT3 H ATOM 37330 OH2 TIP3 1018 61.313 8.578 1.672 1.00 0.00 WT3 O ATOM 37331 H1 TIP3 1018 62.040 9.041 1.256 1.00 0.00 WT3 H ATOM 37332 H2 TIP3 1018 61.068 7.900 1.042 1.00 0.00 WT3 H ATOM 37333 OH2 TIP3 1020 52.371 27.673 4.282 1.00 0.00 WT3 O ATOM 37334 H1 TIP3 1020 52.293 28.099 5.136 1.00 0.00 WT3 H ATOM 37335 H2 TIP3 1020 51.648 27.046 4.259 1.00 0.00 WT3 H ATOM 37336 OH2 TIP3 1022 44.757 14.907 -19.632 1.00 0.00 WT3 O ATOM 37337 H1 TIP3 1022 44.956 15.393 -18.832 1.00 0.00 WT3 H ATOM 37338 H2 TIP3 1022 44.796 13.987 -19.372 1.00 0.00 WT3 H ATOM 37339 OH2 TIP3 1023 40.271 34.884 -16.413 1.00 0.00 WT3 O ATOM 37340 H1 TIP3 1023 40.987 35.090 -17.014 1.00 0.00 WT3 H ATOM 37341 H2 TIP3 1023 40.399 35.478 -15.674 1.00 0.00 WT3 H ATOM 37342 OH2 TIP3 1025 30.657 73.658 -18.522 1.00 0.00 WT3 O ATOM 37343 H1 TIP3 1025 31.232 74.268 -18.059 1.00 0.00 WT3 H ATOM 37344 H2 TIP3 1025 30.281 73.112 -17.831 1.00 0.00 WT3 H ATOM 37345 OH2 TIP3 1026 43.646 85.098 15.239 1.00 0.00 WT3 O ATOM 37346 H1 TIP3 1026 44.592 85.151 15.107 1.00 0.00 WT3 H ATOM 37347 H2 TIP3 1026 43.486 84.184 15.470 1.00 0.00 WT3 H ATOM 37348 OH2 TIP3 1027 35.332 57.926 -19.048 1.00 0.00 WT3 O ATOM 37349 H1 TIP3 1027 35.820 58.295 -18.311 1.00 0.00 WT3 H ATOM 37350 H2 TIP3 1027 36.002 57.525 -19.602 1.00 0.00 WT3 H ATOM 37351 OH2 TIP3 1028 38.975 58.633 65.960 1.00 0.00 WT3 O ATOM 37352 H1 TIP3 1028 39.844 58.376 65.653 1.00 0.00 WT3 H ATOM 37353 H2 TIP3 1028 38.580 57.819 66.273 1.00 0.00 WT3 H ATOM 37354 OH2 TIP3 1029 47.253 11.264 52.574 1.00 0.00 WT3 O ATOM 37355 H1 TIP3 1029 47.006 12.149 52.306 1.00 0.00 WT3 H ATOM 37356 H2 TIP3 1029 47.678 10.890 51.803 1.00 0.00 WT3 H ATOM 37357 OH2 TIP3 1030 30.359 74.342 53.343 1.00 0.00 WT3 O ATOM 37358 H1 TIP3 1030 29.931 75.194 53.428 1.00 0.00 WT3 H ATOM 37359 H2 TIP3 1030 30.007 73.976 52.532 1.00 0.00 WT3 H ATOM 37360 OH2 TIP3 1031 38.577 81.639 18.481 1.00 0.00 WT3 O ATOM 37361 H1 TIP3 1031 39.071 80.954 18.932 1.00 0.00 WT3 H ATOM 37362 H2 TIP3 1031 37.661 81.449 18.685 1.00 0.00 WT3 H ATOM 37363 OH2 TIP3 1032 26.340 38.942 35.813 1.00 0.00 WT3 O ATOM 37364 H1 TIP3 1032 26.040 39.849 35.870 1.00 0.00 WT3 H ATOM 37365 H2 TIP3 1032 27.101 38.976 35.234 1.00 0.00 WT3 H ATOM 37366 OH2 TIP3 1033 85.941 73.062 37.905 1.00 0.00 WT3 O ATOM 37367 H1 TIP3 1033 86.529 72.411 37.523 1.00 0.00 WT3 H ATOM 37368 H2 TIP3 1033 85.901 73.762 37.253 1.00 0.00 WT3 H ATOM 37369 OH2 TIP3 1035 63.070 67.529 -11.737 1.00 0.00 WT3 O ATOM 37370 H1 TIP3 1035 62.150 67.351 -11.541 1.00 0.00 WT3 H ATOM 37371 H2 TIP3 1035 63.456 66.665 -11.881 1.00 0.00 WT3 H ATOM 37372 OH2 TIP3 1036 87.204 62.430 34.860 1.00 0.00 WT3 O ATOM 37373 H1 TIP3 1036 86.263 62.285 34.958 1.00 0.00 WT3 H ATOM 37374 H2 TIP3 1036 87.512 61.678 34.354 1.00 0.00 WT3 H ATOM 37375 OH2 TIP3 1040 57.855 39.205 1.766 1.00 0.00 WT3 O ATOM 37376 H1 TIP3 1040 57.656 38.740 2.578 1.00 0.00 WT3 H ATOM 37377 H2 TIP3 1040 57.412 40.049 1.858 1.00 0.00 WT3 H ATOM 37378 OH2 TIP3 1041 30.360 11.360 26.461 1.00 0.00 WT3 O ATOM 37379 H1 TIP3 1041 30.936 12.059 26.772 1.00 0.00 WT3 H ATOM 37380 H2 TIP3 1041 30.599 11.244 25.541 1.00 0.00 WT3 H ATOM 37381 OH2 TIP3 1042 79.048 60.575 15.736 1.00 0.00 WT3 O ATOM 37382 H1 TIP3 1042 78.299 59.989 15.623 1.00 0.00 WT3 H ATOM 37383 H2 TIP3 1042 79.125 60.685 16.683 1.00 0.00 WT3 H ATOM 37384 OH2 TIP3 1043 43.532 81.926 14.983 1.00 0.00 WT3 O ATOM 37385 H1 TIP3 1043 43.071 81.086 14.992 1.00 0.00 WT3 H ATOM 37386 H2 TIP3 1043 44.052 81.922 15.786 1.00 0.00 WT3 H ATOM 37387 OH2 TIP3 1044 85.583 70.506 33.729 1.00 0.00 WT3 O ATOM 37388 H1 TIP3 1044 85.404 71.284 33.200 1.00 0.00 WT3 H ATOM 37389 H2 TIP3 1044 86.294 70.772 34.312 1.00 0.00 WT3 H ATOM 37390 OH2 TIP3 1045 60.071 81.789 47.841 1.00 0.00 WT3 O ATOM 37391 H1 TIP3 1045 59.727 82.537 47.354 1.00 0.00 WT3 H ATOM 37392 H2 TIP3 1045 59.371 81.136 47.805 1.00 0.00 WT3 H ATOM 37393 OH2 TIP3 1046 44.509 46.645 -4.090 1.00 0.00 WT3 O ATOM 37394 H1 TIP3 1046 44.509 46.994 -3.199 1.00 0.00 WT3 H ATOM 37395 H2 TIP3 1046 44.429 45.698 -3.977 1.00 0.00 WT3 H ATOM 37396 OH2 TIP3 1047 74.445 70.610 56.139 1.00 0.00 WT3 O ATOM 37397 H1 TIP3 1047 74.506 70.414 55.204 1.00 0.00 WT3 H ATOM 37398 H2 TIP3 1047 73.556 70.945 56.257 1.00 0.00 WT3 H ATOM 37399 OH2 TIP3 1048 22.095 56.083 -14.566 1.00 0.00 WT3 O ATOM 37400 H1 TIP3 1048 22.615 56.252 -15.351 1.00 0.00 WT3 H ATOM 37401 H2 TIP3 1048 22.641 55.500 -14.037 1.00 0.00 WT3 H ATOM 37402 OH2 TIP3 1050 56.896 16.693 24.675 1.00 0.00 WT3 O ATOM 37403 H1 TIP3 1050 57.600 17.266 24.977 1.00 0.00 WT3 H ATOM 37404 H2 TIP3 1050 56.258 17.285 24.278 1.00 0.00 WT3 H ATOM 37405 OH2 TIP3 1051 79.891 60.844 38.363 1.00 0.00 WT3 O ATOM 37406 H1 TIP3 1051 79.045 60.550 38.701 1.00 0.00 WT3 H ATOM 37407 H2 TIP3 1051 79.757 61.768 38.149 1.00 0.00 WT3 H ATOM 37408 OH2 TIP3 1052 85.653 81.255 23.847 1.00 0.00 WT3 O ATOM 37409 H1 TIP3 1052 84.790 81.668 23.810 1.00 0.00 WT3 H ATOM 37410 H2 TIP3 1052 85.899 81.297 24.771 1.00 0.00 WT3 H ATOM 37411 OH2 TIP3 1053 81.091 32.659 15.973 1.00 0.00 WT3 O ATOM 37412 H1 TIP3 1053 81.179 33.473 15.477 1.00 0.00 WT3 H ATOM 37413 H2 TIP3 1053 81.620 32.025 15.488 1.00 0.00 WT3 H ATOM 37414 OH2 TIP3 1054 51.075 94.759 56.846 1.00 0.00 WT3 O ATOM 37415 H1 TIP3 1054 50.461 94.213 57.338 1.00 0.00 WT3 H ATOM 37416 H2 TIP3 1054 51.261 95.495 57.428 1.00 0.00 WT3 H ATOM 37417 OH2 TIP3 1055 31.180 16.105 15.923 1.00 0.00 WT3 O ATOM 37418 H1 TIP3 1055 31.966 16.175 15.382 1.00 0.00 WT3 H ATOM 37419 H2 TIP3 1055 31.434 15.526 16.641 1.00 0.00 WT3 H ATOM 37420 OH2 TIP3 1058 25.475 72.369 26.608 1.00 0.00 WT3 O ATOM 37421 H1 TIP3 1058 25.344 71.747 25.893 1.00 0.00 WT3 H ATOM 37422 H2 TIP3 1058 26.301 72.806 26.398 1.00 0.00 WT3 H ATOM 37423 OH2 TIP3 1059 67.184 36.559 -2.687 1.00 0.00 WT3 O ATOM 37424 H1 TIP3 1059 66.662 37.270 -2.315 1.00 0.00 WT3 H ATOM 37425 H2 TIP3 1059 67.597 36.143 -1.930 1.00 0.00 WT3 H ATOM 37426 OH2 TIP3 1060 61.842 38.538 -7.706 1.00 0.00 WT3 O ATOM 37427 H1 TIP3 1060 61.439 37.837 -7.194 1.00 0.00 WT3 H ATOM 37428 H2 TIP3 1060 62.326 39.057 -7.062 1.00 0.00 WT3 H ATOM 37429 OH2 TIP3 1061 61.819 13.919 15.721 1.00 0.00 WT3 O ATOM 37430 H1 TIP3 1061 61.292 13.830 16.516 1.00 0.00 WT3 H ATOM 37431 H2 TIP3 1061 61.202 14.231 15.058 1.00 0.00 WT3 H ATOM 37432 OH2 TIP3 1062 79.331 93.507 59.729 1.00 0.00 WT3 O ATOM 37433 H1 TIP3 1062 79.865 94.010 59.114 1.00 0.00 WT3 H ATOM 37434 H2 TIP3 1062 79.299 92.626 59.355 1.00 0.00 WT3 H ATOM 37435 OH2 TIP3 1063 66.684 50.555 -4.033 1.00 0.00 WT3 O ATOM 37436 H1 TIP3 1063 66.200 51.337 -3.765 1.00 0.00 WT3 H ATOM 37437 H2 TIP3 1063 67.603 50.824 -4.014 1.00 0.00 WT3 H ATOM 37438 OH2 TIP3 1067 77.746 92.113 49.993 1.00 0.00 WT3 O ATOM 37439 H1 TIP3 1067 78.489 92.003 49.399 1.00 0.00 WT3 H ATOM 37440 H2 TIP3 1067 78.122 92.515 50.776 1.00 0.00 WT3 H ATOM 37441 OH2 TIP3 1068 87.945 38.757 -15.357 1.00 0.00 WT3 O ATOM 37442 H1 TIP3 1068 87.355 38.179 -15.840 1.00 0.00 WT3 H ATOM 37443 H2 TIP3 1068 87.726 39.636 -15.667 1.00 0.00 WT3 H ATOM 37444 OH2 TIP3 1069 45.141 8.818 52.948 1.00 0.00 WT3 O ATOM 37445 H1 TIP3 1069 45.862 8.397 53.415 1.00 0.00 WT3 H ATOM 37446 H2 TIP3 1069 45.098 8.360 52.108 1.00 0.00 WT3 H ATOM 37447 OH2 TIP3 1070 72.067 70.474 7.363 1.00 0.00 WT3 O ATOM 37448 H1 TIP3 1070 71.745 70.383 8.260 1.00 0.00 WT3 H ATOM 37449 H2 TIP3 1070 71.787 69.670 6.925 1.00 0.00 WT3 H ATOM 37450 OH2 TIP3 1071 45.883 76.537 45.226 1.00 0.00 WT3 O ATOM 37451 H1 TIP3 1071 45.350 77.196 45.670 1.00 0.00 WT3 H ATOM 37452 H2 TIP3 1071 45.308 75.775 45.150 1.00 0.00 WT3 H ATOM 37453 OH2 TIP3 1074 22.289 79.950 -18.628 1.00 0.00 WT3 O ATOM 37454 H1 TIP3 1074 21.490 80.249 -18.193 1.00 0.00 WT3 H ATOM 37455 H2 TIP3 1074 22.413 79.055 -18.313 1.00 0.00 WT3 H ATOM 37456 OH2 TIP3 1076 48.988 39.409 59.600 1.00 0.00 WT3 O ATOM 37457 H1 TIP3 1076 48.835 39.869 60.424 1.00 0.00 WT3 H ATOM 37458 H2 TIP3 1076 49.847 39.716 59.309 1.00 0.00 WT3 H ATOM 37459 OH2 TIP3 1079 21.144 83.672 3.181 1.00 0.00 WT3 O ATOM 37460 H1 TIP3 1079 20.922 83.433 2.281 1.00 0.00 WT3 H ATOM 37461 H2 TIP3 1079 20.399 83.370 3.700 1.00 0.00 WT3 H ATOM 37462 OH2 TIP3 1080 30.231 73.445 34.521 1.00 0.00 WT3 O ATOM 37463 H1 TIP3 1080 30.343 73.927 33.702 1.00 0.00 WT3 H ATOM 37464 H2 TIP3 1080 30.274 72.523 34.265 1.00 0.00 WT3 H ATOM 37465 OH2 TIP3 1082 22.097 79.707 -1.662 1.00 0.00 WT3 O ATOM 37466 H1 TIP3 1082 22.195 78.758 -1.584 1.00 0.00 WT3 H ATOM 37467 H2 TIP3 1082 22.696 79.953 -2.367 1.00 0.00 WT3 H ATOM 37468 OH2 TIP3 1084 70.850 94.376 31.967 1.00 0.00 WT3 O ATOM 37469 H1 TIP3 1084 71.328 93.560 31.817 1.00 0.00 WT3 H ATOM 37470 H2 TIP3 1084 70.035 94.270 31.476 1.00 0.00 WT3 H ATOM 37471 OH2 TIP3 1085 54.905 82.882 48.503 1.00 0.00 WT3 O ATOM 37472 H1 TIP3 1085 55.417 83.561 48.063 1.00 0.00 WT3 H ATOM 37473 H2 TIP3 1085 54.288 82.577 47.838 1.00 0.00 WT3 H ATOM 37474 OH2 TIP3 1086 84.335 84.149 3.974 1.00 0.00 WT3 O ATOM 37475 H1 TIP3 1086 83.908 84.860 3.497 1.00 0.00 WT3 H ATOM 37476 H2 TIP3 1086 85.100 83.929 3.444 1.00 0.00 WT3 H ATOM 37477 OH2 TIP3 1087 76.630 84.106 57.586 1.00 0.00 WT3 O ATOM 37478 H1 TIP3 1087 76.037 83.418 57.888 1.00 0.00 WT3 H ATOM 37479 H2 TIP3 1087 76.847 83.857 56.688 1.00 0.00 WT3 H ATOM 37480 OH2 TIP3 1088 86.492 88.450 -19.177 1.00 0.00 WT3 O ATOM 37481 H1 TIP3 1088 86.855 87.787 -18.590 1.00 0.00 WT3 H ATOM 37482 H2 TIP3 1088 85.790 88.859 -18.671 1.00 0.00 WT3 H ATOM 37483 OH2 TIP3 1090 27.559 79.626 18.370 1.00 0.00 WT3 O ATOM 37484 H1 TIP3 1090 27.431 79.553 19.316 1.00 0.00 WT3 H ATOM 37485 H2 TIP3 1090 27.828 78.749 18.096 1.00 0.00 WT3 H ATOM 37486 OH2 TIP3 1094 70.546 45.837 65.629 1.00 0.00 WT3 O ATOM 37487 H1 TIP3 1094 71.408 46.235 65.508 1.00 0.00 WT3 H ATOM 37488 H2 TIP3 1094 70.619 45.351 66.450 1.00 0.00 WT3 H ATOM 37489 OH2 TIP3 1096 64.113 65.947 -8.041 1.00 0.00 WT3 O ATOM 37490 H1 TIP3 1096 64.647 65.339 -7.529 1.00 0.00 WT3 H ATOM 37491 H2 TIP3 1096 63.466 65.391 -8.475 1.00 0.00 WT3 H ATOM 37492 OH2 TIP3 1098 55.698 63.326 -4.686 1.00 0.00 WT3 O ATOM 37493 H1 TIP3 1098 55.269 64.063 -4.251 1.00 0.00 WT3 H ATOM 37494 H2 TIP3 1098 55.836 62.683 -3.990 1.00 0.00 WT3 H ATOM 37495 OH2 TIP3 1100 52.886 92.990 27.656 1.00 0.00 WT3 O ATOM 37496 H1 TIP3 1100 53.495 92.282 27.868 1.00 0.00 WT3 H ATOM 37497 H2 TIP3 1100 52.028 92.568 27.629 1.00 0.00 WT3 H ATOM 37498 OH2 TIP3 1102 43.879 73.549 -7.610 1.00 0.00 WT3 O ATOM 37499 H1 TIP3 1102 43.565 74.144 -6.929 1.00 0.00 WT3 H ATOM 37500 H2 TIP3 1102 43.240 72.837 -7.621 1.00 0.00 WT3 H ATOM 37501 OH2 TIP3 1103 52.164 84.384 7.694 1.00 0.00 WT3 O ATOM 37502 H1 TIP3 1103 51.551 84.167 8.396 1.00 0.00 WT3 H ATOM 37503 H2 TIP3 1103 52.571 83.549 7.463 1.00 0.00 WT3 H ATOM 37504 OH2 TIP3 1107 62.842 82.775 -1.275 1.00 0.00 WT3 O ATOM 37505 H1 TIP3 1107 62.774 82.647 -2.221 1.00 0.00 WT3 H ATOM 37506 H2 TIP3 1107 63.204 81.952 -0.947 1.00 0.00 WT3 H ATOM 37507 OH2 TIP3 1108 89.380 48.427 42.769 1.00 0.00 WT3 O ATOM 37508 H1 TIP3 1108 88.867 49.227 42.653 1.00 0.00 WT3 H ATOM 37509 H2 TIP3 1108 88.980 47.797 42.169 1.00 0.00 WT3 H ATOM 37510 OH2 TIP3 1112 69.174 2.544 46.130 1.00 0.00 WT3 O ATOM 37511 H1 TIP3 1112 68.330 2.996 46.108 1.00 0.00 WT3 H ATOM 37512 H2 TIP3 1112 69.559 2.796 46.969 1.00 0.00 WT3 H ATOM 37513 OH2 TIP3 1115 35.732 65.359 58.814 1.00 0.00 WT3 O ATOM 37514 H1 TIP3 1115 34.841 65.066 58.626 1.00 0.00 WT3 H ATOM 37515 H2 TIP3 1115 35.892 66.060 58.182 1.00 0.00 WT3 H ATOM 37516 OH2 TIP3 1117 43.041 6.080 53.550 1.00 0.00 WT3 O ATOM 37517 H1 TIP3 1117 43.688 5.901 54.233 1.00 0.00 WT3 H ATOM 37518 H2 TIP3 1117 43.255 5.464 52.849 1.00 0.00 WT3 H ATOM 37519 OH2 TIP3 1118 76.713 76.664 6.797 1.00 0.00 WT3 O ATOM 37520 H1 TIP3 1118 77.176 76.620 7.634 1.00 0.00 WT3 H ATOM 37521 H2 TIP3 1118 76.433 75.764 6.631 1.00 0.00 WT3 H ATOM 37522 OH2 TIP3 1119 69.938 91.725 -17.106 1.00 0.00 WT3 O ATOM 37523 H1 TIP3 1119 69.122 91.838 -16.619 1.00 0.00 WT3 H ATOM 37524 H2 TIP3 1119 70.462 92.492 -16.877 1.00 0.00 WT3 H ATOM 37525 OH2 TIP3 1120 71.363 32.887 2.771 1.00 0.00 WT3 O ATOM 37526 H1 TIP3 1120 71.181 33.053 1.846 1.00 0.00 WT3 H ATOM 37527 H2 TIP3 1120 71.864 33.651 3.058 1.00 0.00 WT3 H ATOM 37528 OH2 TIP3 1122 67.977 54.485 -9.567 1.00 0.00 WT3 O ATOM 37529 H1 TIP3 1122 68.530 55.262 -9.646 1.00 0.00 WT3 H ATOM 37530 H2 TIP3 1122 67.362 54.553 -10.298 1.00 0.00 WT3 H ATOM 37531 OH2 TIP3 1124 89.515 47.008 53.060 1.00 0.00 WT3 O ATOM 37532 H1 TIP3 1124 89.854 46.118 52.968 1.00 0.00 WT3 H ATOM 37533 H2 TIP3 1124 89.145 47.034 53.942 1.00 0.00 WT3 H ATOM 37534 OH2 TIP3 1127 43.041 75.462 50.617 1.00 0.00 WT3 O ATOM 37535 H1 TIP3 1127 43.851 75.962 50.720 1.00 0.00 WT3 H ATOM 37536 H2 TIP3 1127 43.312 74.654 50.179 1.00 0.00 WT3 H ATOM 37537 OH2 TIP3 1129 47.025 10.206 -5.304 1.00 0.00 WT3 O ATOM 37538 H1 TIP3 1129 46.416 10.549 -4.650 1.00 0.00 WT3 H ATOM 37539 H2 TIP3 1129 46.647 10.465 -6.144 1.00 0.00 WT3 H ATOM 37540 OH2 TIP3 1131 71.784 56.867 51.079 1.00 0.00 WT3 O ATOM 37541 H1 TIP3 1131 71.364 57.699 51.296 1.00 0.00 WT3 H ATOM 37542 H2 TIP3 1131 71.117 56.380 50.596 1.00 0.00 WT3 H ATOM 37543 OH2 TIP3 1137 68.636 96.548 -5.881 1.00 0.00 WT3 O ATOM 37544 H1 TIP3 1137 69.458 96.261 -5.484 1.00 0.00 WT3 H ATOM 37545 H2 TIP3 1137 68.607 96.098 -6.725 1.00 0.00 WT3 H ATOM 37546 OH2 TIP3 1145 69.286 74.702 11.125 1.00 0.00 WT3 O ATOM 37547 H1 TIP3 1145 68.741 74.571 11.901 1.00 0.00 WT3 H ATOM 37548 H2 TIP3 1145 68.705 74.508 10.389 1.00 0.00 WT3 H ATOM 37549 OH2 TIP3 1147 26.733 77.974 1.738 1.00 0.00 WT3 O ATOM 37550 H1 TIP3 1147 25.929 78.248 2.179 1.00 0.00 WT3 H ATOM 37551 H2 TIP3 1147 26.458 77.267 1.155 1.00 0.00 WT3 H ATOM 37552 OH2 TIP3 1148 22.420 37.407 10.416 1.00 0.00 WT3 O ATOM 37553 H1 TIP3 1148 22.699 37.865 11.209 1.00 0.00 WT3 H ATOM 37554 H2 TIP3 1148 21.998 38.082 9.885 1.00 0.00 WT3 H ATOM 37555 OH2 TIP3 1151 73.675 87.411 17.648 1.00 0.00 WT3 O ATOM 37556 H1 TIP3 1151 72.789 87.241 17.329 1.00 0.00 WT3 H ATOM 37557 H2 TIP3 1151 74.006 86.550 17.906 1.00 0.00 WT3 H ATOM 37558 OH2 TIP3 1164 83.476 31.464 51.492 1.00 0.00 WT3 O ATOM 37559 H1 TIP3 1164 83.747 31.656 52.390 1.00 0.00 WT3 H ATOM 37560 H2 TIP3 1164 82.637 31.914 51.393 1.00 0.00 WT3 H ATOM 37561 OH2 TIP3 1165 86.351 2.516 35.419 1.00 0.00 WT3 O ATOM 37562 H1 TIP3 1165 86.236 2.708 36.350 1.00 0.00 WT3 H ATOM 37563 H2 TIP3 1165 85.673 1.871 35.222 1.00 0.00 WT3 H ATOM 37564 OH2 TIP3 1186 52.450 73.364 29.235 1.00 0.00 WT3 O ATOM 37565 H1 TIP3 1186 51.855 72.960 28.603 1.00 0.00 WT3 H ATOM 37566 H2 TIP3 1186 53.141 73.754 28.700 1.00 0.00 WT3 H ATOM 37567 OH2 TIP3 1190 31.158 89.589 25.184 1.00 0.00 WT3 O ATOM 37568 H1 TIP3 1190 30.616 88.921 25.604 1.00 0.00 WT3 H ATOM 37569 H2 TIP3 1190 31.981 89.143 24.988 1.00 0.00 WT3 H ATOM 37570 OH2 TIP3 1201 48.058 40.489 -0.159 1.00 0.00 WT3 O ATOM 37571 H1 TIP3 1201 48.594 41.145 0.287 1.00 0.00 WT3 H ATOM 37572 H2 TIP3 1201 48.474 39.653 0.055 1.00 0.00 WT3 H ATOM 37573 OH2 TIP3 1253 32.982 78.826 10.351 1.00 0.00 WT3 O ATOM 37574 H1 TIP3 1253 32.602 79.600 10.768 1.00 0.00 WT3 H ATOM 37575 H2 TIP3 1253 33.928 78.960 10.414 1.00 0.00 WT3 H ATOM 37576 OH2 TIP3 1272 56.083 36.176 63.821 1.00 0.00 WT3 O ATOM 37577 H1 TIP3 1272 55.247 36.138 63.356 1.00 0.00 WT3 H ATOM 37578 H2 TIP3 1272 56.534 36.930 63.441 1.00 0.00 WT3 H ATOM 37579 OH2 TIP3 1274 46.390 83.505 32.162 1.00 0.00 WT3 O ATOM 37580 H1 TIP3 1274 45.607 82.957 32.223 1.00 0.00 WT3 H ATOM 37581 H2 TIP3 1274 46.489 83.678 31.226 1.00 0.00 WT3 H ATOM 37582 OH2 TIP3 1297 30.783 81.782 25.155 1.00 0.00 WT3 O ATOM 37583 H1 TIP3 1297 30.469 80.882 25.066 1.00 0.00 WT3 H ATOM 37584 H2 TIP3 1297 31.734 81.714 25.075 1.00 0.00 WT3 H ATOM 37585 OH2 TIP3 1298 86.041 85.357 64.347 1.00 0.00 WT3 O ATOM 37586 H1 TIP3 1298 86.159 85.069 65.252 1.00 0.00 WT3 H ATOM 37587 H2 TIP3 1298 86.837 85.070 63.899 1.00 0.00 WT3 H ATOM 37588 OH2 TIP3 1301 38.742 12.591 57.341 1.00 0.00 WT3 O ATOM 37589 H1 TIP3 1301 38.298 13.300 57.806 1.00 0.00 WT3 H ATOM 37590 H2 TIP3 1301 39.437 12.312 57.937 1.00 0.00 WT3 H ATOM 37591 OH2 TIP3 1305 22.625 91.755 57.740 1.00 0.00 WT3 O ATOM 37592 H1 TIP3 1305 22.139 92.136 57.009 1.00 0.00 WT3 H ATOM 37593 H2 TIP3 1305 22.428 92.326 58.483 1.00 0.00 WT3 H ATOM 37594 OH2 TIP3 1307 86.342 31.057 -11.951 1.00 0.00 WT3 O ATOM 37595 H1 TIP3 1307 86.490 31.679 -12.663 1.00 0.00 WT3 H ATOM 37596 H2 TIP3 1307 85.705 31.490 -11.383 1.00 0.00 WT3 H ATOM 37597 OH2 TIP3 1308 54.484 0.837 34.655 1.00 0.00 WT3 O ATOM 37598 H1 TIP3 1308 54.674 -0.087 34.492 1.00 0.00 WT3 H ATOM 37599 H2 TIP3 1308 54.223 1.182 33.801 1.00 0.00 WT3 H ATOM 37600 OH2 TIP3 1311 23.459 67.182 -7.930 1.00 0.00 WT3 O ATOM 37601 H1 TIP3 1311 24.241 66.630 -7.926 1.00 0.00 WT3 H ATOM 37602 H2 TIP3 1311 23.765 68.034 -7.621 1.00 0.00 WT3 H ATOM 37603 OH2 TIP3 1313 40.456 59.124 38.937 1.00 0.00 WT3 O ATOM 37604 H1 TIP3 1313 41.031 59.883 39.034 1.00 0.00 WT3 H ATOM 37605 H2 TIP3 1313 40.838 58.625 38.215 1.00 0.00 WT3 H ATOM 37606 OH2 TIP3 1317 44.945 81.180 42.483 1.00 0.00 WT3 O ATOM 37607 H1 TIP3 1317 44.731 80.366 42.940 1.00 0.00 WT3 H ATOM 37608 H2 TIP3 1317 45.868 81.331 42.683 1.00 0.00 WT3 H ATOM 37609 OH2 TIP3 1321 47.283 82.352 43.453 1.00 0.00 WT3 O ATOM 37610 H1 TIP3 1321 48.042 82.761 43.037 1.00 0.00 WT3 H ATOM 37611 H2 TIP3 1321 46.984 82.997 44.094 1.00 0.00 WT3 H ATOM 37612 OH2 TIP3 1322 43.436 21.066 -10.481 1.00 0.00 WT3 O ATOM 37613 H1 TIP3 1322 43.558 21.752 -9.825 1.00 0.00 WT3 H ATOM 37614 H2 TIP3 1322 43.324 21.540 -11.305 1.00 0.00 WT3 H ATOM 37615 OH2 TIP3 1326 84.863 70.700 -10.712 1.00 0.00 WT3 O ATOM 37616 H1 TIP3 1326 84.674 70.608 -9.778 1.00 0.00 WT3 H ATOM 37617 H2 TIP3 1326 85.795 70.913 -10.748 1.00 0.00 WT3 H ATOM 37618 OH2 TIP3 1327 61.689 11.856 18.643 1.00 0.00 WT3 O ATOM 37619 H1 TIP3 1327 61.757 12.571 19.277 1.00 0.00 WT3 H ATOM 37620 H2 TIP3 1327 62.522 11.391 18.715 1.00 0.00 WT3 H ATOM 37621 OH2 TIP3 1328 66.166 53.781 40.766 1.00 0.00 WT3 O ATOM 37622 H1 TIP3 1328 65.604 54.516 40.521 1.00 0.00 WT3 H ATOM 37623 H2 TIP3 1328 66.289 53.877 41.710 1.00 0.00 WT3 H ATOM 37624 OH2 TIP3 1329 65.010 51.749 52.865 1.00 0.00 WT3 O ATOM 37625 H1 TIP3 1329 65.947 51.566 52.936 1.00 0.00 WT3 H ATOM 37626 H2 TIP3 1329 64.965 52.653 52.554 1.00 0.00 WT3 H ATOM 37627 OH2 TIP3 1330 75.719 93.957 52.808 1.00 0.00 WT3 O ATOM 37628 H1 TIP3 1330 75.792 94.119 53.748 1.00 0.00 WT3 H ATOM 37629 H2 TIP3 1330 75.301 93.098 52.743 1.00 0.00 WT3 H ATOM 37630 OH2 TIP3 1331 51.911 89.520 17.230 1.00 0.00 WT3 O ATOM 37631 H1 TIP3 1331 51.539 89.236 18.065 1.00 0.00 WT3 H ATOM 37632 H2 TIP3 1331 52.853 89.565 17.390 1.00 0.00 WT3 H ATOM 37633 OH2 TIP3 1332 47.428 9.044 47.780 1.00 0.00 WT3 O ATOM 37634 H1 TIP3 1332 47.951 9.675 47.285 1.00 0.00 WT3 H ATOM 37635 H2 TIP3 1332 46.535 9.384 47.735 1.00 0.00 WT3 H ATOM 37636 OH2 TIP3 1333 32.952 64.479 9.767 1.00 0.00 WT3 O ATOM 37637 H1 TIP3 1333 33.732 64.718 10.267 1.00 0.00 WT3 H ATOM 37638 H2 TIP3 1333 32.721 63.606 10.086 1.00 0.00 WT3 H ATOM 37639 OH2 TIP3 1337 67.972 48.246 7.255 1.00 0.00 WT3 O ATOM 37640 H1 TIP3 1337 67.669 48.974 6.712 1.00 0.00 WT3 H ATOM 37641 H2 TIP3 1337 67.510 48.357 8.086 1.00 0.00 WT3 H ATOM 37642 OH2 TIP3 1339 46.381 44.923 53.989 1.00 0.00 WT3 O ATOM 37643 H1 TIP3 1339 46.676 45.481 53.269 1.00 0.00 WT3 H ATOM 37644 H2 TIP3 1339 46.539 45.445 54.776 1.00 0.00 WT3 H ATOM 37645 OH2 TIP3 1340 72.891 45.342 19.224 1.00 0.00 WT3 O ATOM 37646 H1 TIP3 1340 73.216 44.605 18.708 1.00 0.00 WT3 H ATOM 37647 H2 TIP3 1340 71.942 45.320 19.103 1.00 0.00 WT3 H ATOM 37648 OH2 TIP3 1341 76.824 57.744 0.056 1.00 0.00 WT3 O ATOM 37649 H1 TIP3 1341 76.219 58.066 0.724 1.00 0.00 WT3 H ATOM 37650 H2 TIP3 1341 76.796 58.407 -0.634 1.00 0.00 WT3 H ATOM 37651 OH2 TIP3 1342 63.551 32.850 33.239 1.00 0.00 WT3 O ATOM 37652 H1 TIP3 1342 63.629 32.123 32.621 1.00 0.00 WT3 H ATOM 37653 H2 TIP3 1342 62.627 33.098 33.201 1.00 0.00 WT3 H ATOM 37654 OH2 TIP3 1343 47.792 68.250 30.066 1.00 0.00 WT3 O ATOM 37655 H1 TIP3 1343 48.284 68.108 30.875 1.00 0.00 WT3 H ATOM 37656 H2 TIP3 1343 47.496 67.377 29.809 1.00 0.00 WT3 H ATOM 37657 OH2 TIP3 1344 89.349 92.767 3.827 1.00 0.00 WT3 O ATOM 37658 H1 TIP3 1344 88.429 92.823 3.567 1.00 0.00 WT3 H ATOM 37659 H2 TIP3 1344 89.323 92.532 4.754 1.00 0.00 WT3 H ATOM 37660 OH2 TIP3 1346 34.464 52.637 33.006 1.00 0.00 WT3 O ATOM 37661 H1 TIP3 1346 34.250 53.471 32.586 1.00 0.00 WT3 H ATOM 37662 H2 TIP3 1346 35.407 52.683 33.162 1.00 0.00 WT3 H ATOM 37663 OH2 TIP3 1347 63.079 18.485 -11.898 1.00 0.00 WT3 O ATOM 37664 H1 TIP3 1347 63.438 18.678 -11.032 1.00 0.00 WT3 H ATOM 37665 H2 TIP3 1347 62.333 19.078 -11.986 1.00 0.00 WT3 H ATOM 37666 OH2 TIP3 1348 89.512 88.173 61.021 1.00 0.00 WT3 O ATOM 37667 H1 TIP3 1348 89.081 87.350 60.790 1.00 0.00 WT3 H ATOM 37668 H2 TIP3 1348 89.990 87.976 61.827 1.00 0.00 WT3 H ATOM 37669 OH2 TIP3 1349 38.717 57.498 61.436 1.00 0.00 WT3 O ATOM 37670 H1 TIP3 1349 39.464 58.082 61.567 1.00 0.00 WT3 H ATOM 37671 H2 TIP3 1349 38.465 57.633 60.522 1.00 0.00 WT3 H ATOM 37672 OH2 TIP3 1351 35.638 60.176 57.582 1.00 0.00 WT3 O ATOM 37673 H1 TIP3 1351 35.209 59.765 56.831 1.00 0.00 WT3 H ATOM 37674 H2 TIP3 1351 35.980 61.002 57.240 1.00 0.00 WT3 H ATOM 37675 OH2 TIP3 1352 72.664 88.814 12.586 1.00 0.00 WT3 O ATOM 37676 H1 TIP3 1352 71.762 88.949 12.874 1.00 0.00 WT3 H ATOM 37677 H2 TIP3 1352 72.990 88.104 13.140 1.00 0.00 WT3 H ATOM 37678 OH2 TIP3 1354 80.982 9.038 -2.255 1.00 0.00 WT3 O ATOM 37679 H1 TIP3 1354 80.115 9.443 -2.251 1.00 0.00 WT3 H ATOM 37680 H2 TIP3 1354 80.924 8.354 -2.922 1.00 0.00 WT3 H ATOM 37681 OH2 TIP3 1355 33.272 26.730 1.053 1.00 0.00 WT3 O ATOM 37682 H1 TIP3 1355 33.114 26.490 0.140 1.00 0.00 WT3 H ATOM 37683 H2 TIP3 1355 32.408 26.963 1.393 1.00 0.00 WT3 H ATOM 37684 OH2 TIP3 1356 83.011 94.037 37.862 1.00 0.00 WT3 O ATOM 37685 H1 TIP3 1356 83.803 94.446 38.211 1.00 0.00 WT3 H ATOM 37686 H2 TIP3 1356 83.318 93.517 37.119 1.00 0.00 WT3 H ATOM 37687 OH2 TIP3 1357 76.406 80.517 23.053 1.00 0.00 WT3 O ATOM 37688 H1 TIP3 1357 76.889 80.295 23.850 1.00 0.00 WT3 H ATOM 37689 H2 TIP3 1357 75.531 80.154 23.194 1.00 0.00 WT3 H ATOM 37690 OH2 TIP3 1359 57.668 70.952 -0.858 1.00 0.00 WT3 O ATOM 37691 H1 TIP3 1359 58.267 70.850 -0.118 1.00 0.00 WT3 H ATOM 37692 H2 TIP3 1359 57.139 70.154 -0.850 1.00 0.00 WT3 H ATOM 37693 OH2 TIP3 1360 85.360 70.933 8.135 1.00 0.00 WT3 O ATOM 37694 H1 TIP3 1360 86.142 70.764 8.661 1.00 0.00 WT3 H ATOM 37695 H2 TIP3 1360 85.375 70.257 7.458 1.00 0.00 WT3 H ATOM 37696 OH2 TIP3 1361 47.782 91.791 57.159 1.00 0.00 WT3 O ATOM 37697 H1 TIP3 1361 46.832 91.849 57.065 1.00 0.00 WT3 H ATOM 37698 H2 TIP3 1361 48.066 91.269 56.408 1.00 0.00 WT3 H ATOM 37699 OH2 TIP3 1362 63.679 81.542 35.489 1.00 0.00 WT3 O ATOM 37700 H1 TIP3 1362 62.967 81.423 34.861 1.00 0.00 WT3 H ATOM 37701 H2 TIP3 1362 64.386 80.989 35.159 1.00 0.00 WT3 H ATOM 37702 OH2 TIP3 1363 60.481 59.176 36.089 1.00 0.00 WT3 O ATOM 37703 H1 TIP3 1363 59.694 59.459 36.554 1.00 0.00 WT3 H ATOM 37704 H2 TIP3 1363 60.155 58.807 35.268 1.00 0.00 WT3 H ATOM 37705 OH2 TIP3 1365 89.161 69.284 29.238 1.00 0.00 WT3 O ATOM 37706 H1 TIP3 1365 88.265 69.220 29.569 1.00 0.00 WT3 H ATOM 37707 H2 TIP3 1365 89.064 69.332 28.287 1.00 0.00 WT3 H ATOM 37708 OH2 TIP3 1367 26.442 21.062 25.757 1.00 0.00 WT3 O ATOM 37709 H1 TIP3 1367 27.275 20.923 25.306 1.00 0.00 WT3 H ATOM 37710 H2 TIP3 1367 26.463 20.450 26.493 1.00 0.00 WT3 H ATOM 37711 OH2 TIP3 1368 28.981 65.579 17.496 1.00 0.00 WT3 O ATOM 37712 H1 TIP3 1368 29.429 64.837 17.904 1.00 0.00 WT3 H ATOM 37713 H2 TIP3 1368 28.529 66.013 18.220 1.00 0.00 WT3 H ATOM 37714 OH2 TIP3 1369 56.787 79.480 25.257 1.00 0.00 WT3 O ATOM 37715 H1 TIP3 1369 56.400 79.518 26.131 1.00 0.00 WT3 H ATOM 37716 H2 TIP3 1369 56.100 79.108 24.705 1.00 0.00 WT3 H ATOM 37717 OH2 TIP3 1370 84.639 70.049 21.733 1.00 0.00 WT3 O ATOM 37718 H1 TIP3 1370 83.822 69.840 22.186 1.00 0.00 WT3 H ATOM 37719 H2 TIP3 1370 85.289 69.470 22.130 1.00 0.00 WT3 H ATOM 37720 OH2 TIP3 1371 42.335 30.234 52.415 1.00 0.00 WT3 O ATOM 37721 H1 TIP3 1371 42.461 30.769 53.198 1.00 0.00 WT3 H ATOM 37722 H2 TIP3 1371 42.808 29.423 52.599 1.00 0.00 WT3 H ATOM 37723 OH2 TIP3 1372 56.508 55.550 -7.809 1.00 0.00 WT3 O ATOM 37724 H1 TIP3 1372 57.026 55.017 -8.413 1.00 0.00 WT3 H ATOM 37725 H2 TIP3 1372 55.609 55.469 -8.128 1.00 0.00 WT3 H ATOM 37726 OH2 TIP3 1374 33.308 5.046 19.788 1.00 0.00 WT3 O ATOM 37727 H1 TIP3 1374 33.134 5.972 19.615 1.00 0.00 WT3 H ATOM 37728 H2 TIP3 1374 32.543 4.746 20.279 1.00 0.00 WT3 H ATOM 37729 OH2 TIP3 1375 34.551 59.853 -0.973 1.00 0.00 WT3 O ATOM 37730 H1 TIP3 1375 34.548 60.800 -1.112 1.00 0.00 WT3 H ATOM 37731 H2 TIP3 1375 34.454 59.749 -0.027 1.00 0.00 WT3 H ATOM 37732 OH2 TIP3 1376 30.329 77.113 28.650 1.00 0.00 WT3 O ATOM 37733 H1 TIP3 1376 30.269 77.988 28.266 1.00 0.00 WT3 H ATOM 37734 H2 TIP3 1376 31.196 77.087 29.054 1.00 0.00 WT3 H ATOM 37735 OH2 TIP3 1378 33.301 95.772 -1.437 1.00 0.00 WT3 O ATOM 37736 H1 TIP3 1378 33.641 95.672 -0.548 1.00 0.00 WT3 H ATOM 37737 H2 TIP3 1378 32.354 95.857 -1.324 1.00 0.00 WT3 H ATOM 37738 OH2 TIP3 1379 68.344 89.043 2.752 1.00 0.00 WT3 O ATOM 37739 H1 TIP3 1379 68.966 89.484 3.332 1.00 0.00 WT3 H ATOM 37740 H2 TIP3 1379 68.812 88.267 2.445 1.00 0.00 WT3 H ATOM 37741 OH2 TIP3 1380 77.101 2.484 66.454 1.00 0.00 WT3 O ATOM 37742 H1 TIP3 1380 77.089 3.149 65.766 1.00 0.00 WT3 H ATOM 37743 H2 TIP3 1380 76.736 2.925 67.221 1.00 0.00 WT3 H ATOM 37744 OH2 TIP3 1381 76.753 2.955 1.565 1.00 0.00 WT3 O ATOM 37745 H1 TIP3 1381 76.432 2.677 2.422 1.00 0.00 WT3 H ATOM 37746 H2 TIP3 1381 77.613 3.336 1.743 1.00 0.00 WT3 H ATOM 37747 OH2 TIP3 1382 31.641 63.810 49.402 1.00 0.00 WT3 O ATOM 37748 H1 TIP3 1382 32.120 63.038 49.099 1.00 0.00 WT3 H ATOM 37749 H2 TIP3 1382 31.402 64.274 48.600 1.00 0.00 WT3 H ATOM 37750 OH2 TIP3 1383 60.379 64.064 30.337 1.00 0.00 WT3 O ATOM 37751 H1 TIP3 1383 60.312 64.934 29.944 1.00 0.00 WT3 H ATOM 37752 H2 TIP3 1383 59.495 63.702 30.270 1.00 0.00 WT3 H ATOM 37753 OH2 TIP3 1387 24.743 28.744 55.274 1.00 0.00 WT3 O ATOM 37754 H1 TIP3 1387 25.376 29.461 55.249 1.00 0.00 WT3 H ATOM 37755 H2 TIP3 1387 25.185 28.051 55.764 1.00 0.00 WT3 H ATOM 37756 OH2 TIP3 1388 36.450 94.536 -11.285 1.00 0.00 WT3 O ATOM 37757 H1 TIP3 1388 36.403 95.440 -10.973 1.00 0.00 WT3 H ATOM 37758 H2 TIP3 1388 37.031 94.574 -12.044 1.00 0.00 WT3 H ATOM 37759 OH2 TIP3 1389 48.872 90.783 2.490 1.00 0.00 WT3 O ATOM 37760 H1 TIP3 1389 48.400 91.259 3.173 1.00 0.00 WT3 H ATOM 37761 H2 TIP3 1389 49.778 91.080 2.572 1.00 0.00 WT3 H ATOM 37762 OH2 TIP3 1390 28.574 57.796 13.142 1.00 0.00 WT3 O ATOM 37763 H1 TIP3 1390 29.466 57.862 13.483 1.00 0.00 WT3 H ATOM 37764 H2 TIP3 1390 28.626 57.124 12.462 1.00 0.00 WT3 H ATOM 37765 OH2 TIP3 1392 76.879 57.898 3.852 1.00 0.00 WT3 O ATOM 37766 H1 TIP3 1392 77.504 57.634 4.528 1.00 0.00 WT3 H ATOM 37767 H2 TIP3 1392 77.078 58.820 3.689 1.00 0.00 WT3 H ATOM 37768 OH2 TIP3 1393 89.774 45.867 -9.501 1.00 0.00 WT3 O ATOM 37769 H1 TIP3 1393 90.556 45.380 -9.241 1.00 0.00 WT3 H ATOM 37770 H2 TIP3 1393 89.370 45.329 -10.181 1.00 0.00 WT3 H ATOM 37771 OH2 TIP3 1394 56.342 19.843 3.796 1.00 0.00 WT3 O ATOM 37772 H1 TIP3 1394 57.077 19.258 3.978 1.00 0.00 WT3 H ATOM 37773 H2 TIP3 1394 55.597 19.257 3.662 1.00 0.00 WT3 H ATOM 37774 OH2 TIP3 1395 34.877 62.033 16.371 1.00 0.00 WT3 O ATOM 37775 H1 TIP3 1395 35.588 61.574 15.922 1.00 0.00 WT3 H ATOM 37776 H2 TIP3 1395 35.031 62.958 16.182 1.00 0.00 WT3 H ATOM 37777 OH2 TIP3 1396 32.977 72.343 34.883 1.00 0.00 WT3 O ATOM 37778 H1 TIP3 1396 33.159 71.611 34.293 1.00 0.00 WT3 H ATOM 37779 H2 TIP3 1396 33.227 73.121 34.385 1.00 0.00 WT3 H ATOM 37780 OH2 TIP3 1397 61.690 65.248 -3.532 1.00 0.00 WT3 O ATOM 37781 H1 TIP3 1397 61.003 65.022 -2.904 1.00 0.00 WT3 H ATOM 37782 H2 TIP3 1397 62.194 64.442 -3.637 1.00 0.00 WT3 H ATOM 37783 OH2 TIP3 1398 48.466 66.449 52.773 1.00 0.00 WT3 O ATOM 37784 H1 TIP3 1398 47.699 65.993 52.427 1.00 0.00 WT3 H ATOM 37785 H2 TIP3 1398 48.714 67.062 52.081 1.00 0.00 WT3 H ATOM 37786 OH2 TIP3 1399 80.407 73.271 -14.608 1.00 0.00 WT3 O ATOM 37787 H1 TIP3 1399 80.985 73.997 -14.374 1.00 0.00 WT3 H ATOM 37788 H2 TIP3 1399 80.794 72.903 -15.403 1.00 0.00 WT3 H ATOM 37789 OH2 TIP3 1400 35.088 16.209 9.183 1.00 0.00 WT3 O ATOM 37790 H1 TIP3 1400 35.823 16.016 9.765 1.00 0.00 WT3 H ATOM 37791 H2 TIP3 1400 35.490 16.613 8.414 1.00 0.00 WT3 H ATOM 37792 OH2 TIP3 1401 90.019 3.524 10.312 1.00 0.00 WT3 O ATOM 37793 H1 TIP3 1401 89.686 2.843 9.728 1.00 0.00 WT3 H ATOM 37794 H2 TIP3 1401 89.942 3.147 11.189 1.00 0.00 WT3 H ATOM 37795 OH2 TIP3 1402 30.226 85.292 -14.665 1.00 0.00 WT3 O ATOM 37796 H1 TIP3 1402 30.733 84.991 -15.419 1.00 0.00 WT3 H ATOM 37797 H2 TIP3 1402 29.836 86.118 -14.953 1.00 0.00 WT3 H ATOM 37798 OH2 TIP3 1403 67.415 65.248 -19.362 1.00 0.00 WT3 O ATOM 37799 H1 TIP3 1403 67.412 64.319 -19.133 1.00 0.00 WT3 H ATOM 37800 H2 TIP3 1403 68.333 65.510 -19.294 1.00 0.00 WT3 H ATOM 37801 OH2 TIP3 1404 25.284 94.197 56.019 1.00 0.00 WT3 O ATOM 37802 H1 TIP3 1404 25.960 94.861 55.881 1.00 0.00 WT3 H ATOM 37803 H2 TIP3 1404 25.503 93.500 55.400 1.00 0.00 WT3 H ATOM 37804 OH2 TIP3 1407 85.130 45.849 -1.386 1.00 0.00 WT3 O ATOM 37805 H1 TIP3 1407 85.232 45.218 -0.674 1.00 0.00 WT3 H ATOM 37806 H2 TIP3 1407 84.714 46.608 -0.977 1.00 0.00 WT3 H ATOM 37807 OH2 TIP3 1408 36.316 22.783 -0.128 1.00 0.00 WT3 O ATOM 37808 H1 TIP3 1408 37.234 22.627 0.097 1.00 0.00 WT3 H ATOM 37809 H2 TIP3 1408 36.022 23.437 0.506 1.00 0.00 WT3 H ATOM 37810 OH2 TIP3 1409 68.298 70.264 47.786 1.00 0.00 WT3 O ATOM 37811 H1 TIP3 1409 67.587 69.944 47.231 1.00 0.00 WT3 H ATOM 37812 H2 TIP3 1409 69.019 70.432 47.179 1.00 0.00 WT3 H ATOM 37813 OH2 TIP3 1411 54.867 86.419 -1.759 1.00 0.00 WT3 O ATOM 37814 H1 TIP3 1411 54.500 86.585 -0.891 1.00 0.00 WT3 H ATOM 37815 H2 TIP3 1411 54.648 85.505 -1.942 1.00 0.00 WT3 H ATOM 37816 OH2 TIP3 1412 32.270 41.702 1.902 1.00 0.00 WT3 O ATOM 37817 H1 TIP3 1412 32.448 41.236 2.719 1.00 0.00 WT3 H ATOM 37818 H2 TIP3 1412 32.124 41.010 1.257 1.00 0.00 WT3 H ATOM 37819 OH2 TIP3 1413 21.991 77.017 61.336 1.00 0.00 WT3 O ATOM 37820 H1 TIP3 1413 22.566 77.214 60.597 1.00 0.00 WT3 H ATOM 37821 H2 TIP3 1413 21.949 77.834 61.832 1.00 0.00 WT3 H ATOM 37822 OH2 TIP3 1414 34.044 78.358 43.668 1.00 0.00 WT3 O ATOM 37823 H1 TIP3 1414 34.721 78.868 43.222 1.00 0.00 WT3 H ATOM 37824 H2 TIP3 1414 33.306 78.355 43.059 1.00 0.00 WT3 H ATOM 37825 OH2 TIP3 1415 83.118 29.618 27.310 1.00 0.00 WT3 O ATOM 37826 H1 TIP3 1415 82.565 29.377 28.053 1.00 0.00 WT3 H ATOM 37827 H2 TIP3 1415 83.934 29.137 27.452 1.00 0.00 WT3 H ATOM 37828 OH2 TIP3 1416 46.268 88.714 48.139 1.00 0.00 WT3 O ATOM 37829 H1 TIP3 1416 46.686 87.904 47.846 1.00 0.00 WT3 H ATOM 37830 H2 TIP3 1416 45.395 88.443 48.423 1.00 0.00 WT3 H ATOM 37831 OH2 TIP3 1417 30.338 4.504 42.073 1.00 0.00 WT3 O ATOM 37832 H1 TIP3 1417 30.043 5.354 42.401 1.00 0.00 WT3 H ATOM 37833 H2 TIP3 1417 31.191 4.684 41.675 1.00 0.00 WT3 H ATOM 37834 OH2 TIP3 1418 51.074 51.248 36.210 1.00 0.00 WT3 O ATOM 37835 H1 TIP3 1418 50.615 51.964 36.648 1.00 0.00 WT3 H ATOM 37836 H2 TIP3 1418 50.827 50.466 36.704 1.00 0.00 WT3 H ATOM 37837 OH2 TIP3 1419 84.801 36.868 44.413 1.00 0.00 WT3 O ATOM 37838 H1 TIP3 1419 83.943 36.700 44.023 1.00 0.00 WT3 H ATOM 37839 H2 TIP3 1419 85.427 36.610 43.738 1.00 0.00 WT3 H ATOM 37840 OH2 TIP3 1420 87.641 94.387 7.427 1.00 0.00 WT3 O ATOM 37841 H1 TIP3 1420 86.758 94.197 7.111 1.00 0.00 WT3 H ATOM 37842 H2 TIP3 1420 87.865 95.226 7.024 1.00 0.00 WT3 H ATOM 37843 OH2 TIP3 1421 57.964 72.371 30.683 1.00 0.00 WT3 O ATOM 37844 H1 TIP3 1421 57.174 72.685 30.244 1.00 0.00 WT3 H ATOM 37845 H2 TIP3 1421 57.843 71.423 30.746 1.00 0.00 WT3 H ATOM 37846 OH2 TIP3 1422 59.266 93.913 4.616 1.00 0.00 WT3 O ATOM 37847 H1 TIP3 1422 59.783 94.636 4.260 1.00 0.00 WT3 H ATOM 37848 H2 TIP3 1422 59.769 93.609 5.371 1.00 0.00 WT3 H ATOM 37849 OH2 TIP3 1423 24.514 20.982 8.162 1.00 0.00 WT3 O ATOM 37850 H1 TIP3 1423 24.678 20.274 7.539 1.00 0.00 WT3 H ATOM 37851 H2 TIP3 1423 24.997 20.727 8.948 1.00 0.00 WT3 H ATOM 37852 OH2 TIP3 1424 34.876 83.551 42.549 1.00 0.00 WT3 O ATOM 37853 H1 TIP3 1424 34.768 84.444 42.221 1.00 0.00 WT3 H ATOM 37854 H2 TIP3 1424 35.587 83.615 43.187 1.00 0.00 WT3 H ATOM 37855 OH2 TIP3 1426 37.073 72.412 63.951 1.00 0.00 WT3 O ATOM 37856 H1 TIP3 1426 36.963 72.556 64.891 1.00 0.00 WT3 H ATOM 37857 H2 TIP3 1426 36.875 73.259 63.553 1.00 0.00 WT3 H ATOM 37858 OH2 TIP3 1428 56.103 31.678 -16.104 1.00 0.00 WT3 O ATOM 37859 H1 TIP3 1428 55.648 32.179 -16.781 1.00 0.00 WT3 H ATOM 37860 H2 TIP3 1428 55.951 30.763 -16.340 1.00 0.00 WT3 H ATOM 37861 OH2 TIP3 1429 86.966 75.145 67.300 1.00 0.00 WT3 O ATOM 37862 H1 TIP3 1429 86.238 75.464 66.767 1.00 0.00 WT3 H ATOM 37863 H2 TIP3 1429 87.685 75.030 66.678 1.00 0.00 WT3 H ATOM 37864 OH2 TIP3 1430 65.207 74.677 45.519 1.00 0.00 WT3 O ATOM 37865 H1 TIP3 1430 64.916 73.816 45.819 1.00 0.00 WT3 H ATOM 37866 H2 TIP3 1430 65.583 74.515 44.653 1.00 0.00 WT3 H ATOM 37867 OH2 TIP3 1431 42.281 76.539 23.329 1.00 0.00 WT3 O ATOM 37868 H1 TIP3 1431 42.309 75.612 23.091 1.00 0.00 WT3 H ATOM 37869 H2 TIP3 1431 42.585 76.563 24.236 1.00 0.00 WT3 H ATOM 37870 OH2 TIP3 1433 73.621 82.015 13.963 1.00 0.00 WT3 O ATOM 37871 H1 TIP3 1433 73.243 82.875 14.144 1.00 0.00 WT3 H ATOM 37872 H2 TIP3 1433 73.232 81.753 13.128 1.00 0.00 WT3 H ATOM 37873 OH2 TIP3 1434 88.693 69.057 26.315 1.00 0.00 WT3 O ATOM 37874 H1 TIP3 1434 88.127 69.816 26.454 1.00 0.00 WT3 H ATOM 37875 H2 TIP3 1434 88.205 68.501 25.708 1.00 0.00 WT3 H ATOM 37876 OH2 TIP3 1435 63.996 8.458 30.741 1.00 0.00 WT3 O ATOM 37877 H1 TIP3 1435 63.978 9.344 30.379 1.00 0.00 WT3 H ATOM 37878 H2 TIP3 1435 64.277 8.575 31.648 1.00 0.00 WT3 H ATOM 37879 OH2 TIP3 1436 53.142 84.879 24.391 1.00 0.00 WT3 O ATOM 37880 H1 TIP3 1436 52.578 84.149 24.647 1.00 0.00 WT3 H ATOM 37881 H2 TIP3 1436 52.913 85.583 24.998 1.00 0.00 WT3 H ATOM 37882 OH2 TIP3 1437 75.465 77.977 26.097 1.00 0.00 WT3 O ATOM 37883 H1 TIP3 1437 75.746 77.226 25.573 1.00 0.00 WT3 H ATOM 37884 H2 TIP3 1437 75.737 77.762 26.989 1.00 0.00 WT3 H ATOM 37885 OH2 TIP3 1438 36.545 73.996 1.545 1.00 0.00 WT3 O ATOM 37886 H1 TIP3 1438 36.308 74.920 1.631 1.00 0.00 WT3 H ATOM 37887 H2 TIP3 1438 37.096 73.818 2.307 1.00 0.00 WT3 H ATOM 37888 OH2 TIP3 1439 64.739 52.750 -7.349 1.00 0.00 WT3 O ATOM 37889 H1 TIP3 1439 65.255 53.336 -6.794 1.00 0.00 WT3 H ATOM 37890 H2 TIP3 1439 63.840 52.854 -7.037 1.00 0.00 WT3 H ATOM 37891 OH2 TIP3 1440 85.888 25.418 -13.694 1.00 0.00 WT3 O ATOM 37892 H1 TIP3 1440 86.447 25.534 -12.926 1.00 0.00 WT3 H ATOM 37893 H2 TIP3 1440 85.716 26.308 -14.002 1.00 0.00 WT3 H ATOM 37894 OH2 TIP3 1441 35.240 89.992 -3.998 1.00 0.00 WT3 O ATOM 37895 H1 TIP3 1441 35.770 90.566 -3.445 1.00 0.00 WT3 H ATOM 37896 H2 TIP3 1441 35.738 89.176 -4.045 1.00 0.00 WT3 H ATOM 37897 OH2 TIP3 1442 35.926 65.107 36.909 1.00 0.00 WT3 O ATOM 37898 H1 TIP3 1442 35.835 64.335 36.351 1.00 0.00 WT3 H ATOM 37899 H2 TIP3 1442 36.704 64.930 37.439 1.00 0.00 WT3 H ATOM 37900 OH2 TIP3 1444 58.942 76.715 38.703 1.00 0.00 WT3 O ATOM 37901 H1 TIP3 1444 58.634 75.997 38.148 1.00 0.00 WT3 H ATOM 37902 H2 TIP3 1444 58.460 76.608 39.523 1.00 0.00 WT3 H ATOM 37903 OH2 TIP3 1445 47.243 44.340 41.154 1.00 0.00 WT3 O ATOM 37904 H1 TIP3 1445 48.035 44.556 41.647 1.00 0.00 WT3 H ATOM 37905 H2 TIP3 1445 46.524 44.613 41.724 1.00 0.00 WT3 H ATOM 37906 OH2 TIP3 1446 46.166 48.795 59.419 1.00 0.00 WT3 O ATOM 37907 H1 TIP3 1446 45.923 48.726 60.342 1.00 0.00 WT3 H ATOM 37908 H2 TIP3 1446 45.691 49.564 59.103 1.00 0.00 WT3 H ATOM 37909 OH2 TIP3 1448 43.722 81.941 10.026 1.00 0.00 WT3 O ATOM 37910 H1 TIP3 1448 43.215 81.914 10.838 1.00 0.00 WT3 H ATOM 37911 H2 TIP3 1448 44.610 81.698 10.290 1.00 0.00 WT3 H ATOM 37912 OH2 TIP3 1449 83.107 83.120 28.557 1.00 0.00 WT3 O ATOM 37913 H1 TIP3 1449 82.710 83.785 29.120 1.00 0.00 WT3 H ATOM 37914 H2 TIP3 1449 83.674 82.618 29.141 1.00 0.00 WT3 H ATOM 37915 OH2 TIP3 1450 71.083 19.900 56.035 1.00 0.00 WT3 O ATOM 37916 H1 TIP3 1450 70.919 20.130 56.949 1.00 0.00 WT3 H ATOM 37917 H2 TIP3 1450 71.977 19.560 56.029 1.00 0.00 WT3 H ATOM 37918 OH2 TIP3 1451 30.024 0.605 -17.713 1.00 0.00 WT3 O ATOM 37919 H1 TIP3 1451 29.445 -0.017 -17.272 1.00 0.00 WT3 H ATOM 37920 H2 TIP3 1451 29.564 0.828 -18.522 1.00 0.00 WT3 H ATOM 37921 OH2 TIP3 1453 71.282 61.806 1.759 1.00 0.00 WT3 O ATOM 37922 H1 TIP3 1453 72.115 62.232 1.960 1.00 0.00 WT3 H ATOM 37923 H2 TIP3 1453 71.131 61.214 2.496 1.00 0.00 WT3 H ATOM 37924 OH2 TIP3 1454 88.654 31.253 18.657 1.00 0.00 WT3 O ATOM 37925 H1 TIP3 1454 88.579 30.424 19.130 1.00 0.00 WT3 H ATOM 37926 H2 TIP3 1454 88.403 31.040 17.758 1.00 0.00 WT3 H ATOM 37927 OH2 TIP3 1455 88.509 38.455 5.417 1.00 0.00 WT3 O ATOM 37928 H1 TIP3 1455 88.580 38.151 6.321 1.00 0.00 WT3 H ATOM 37929 H2 TIP3 1455 89.338 38.902 5.248 1.00 0.00 WT3 H ATOM 37930 OH2 TIP3 1456 90.659 85.376 50.543 1.00 0.00 WT3 O ATOM 37931 H1 TIP3 1456 91.160 85.554 49.747 1.00 0.00 WT3 H ATOM 37932 H2 TIP3 1456 89.804 85.776 50.382 1.00 0.00 WT3 H ATOM 37933 OH2 TIP3 1457 81.525 37.592 6.815 1.00 0.00 WT3 O ATOM 37934 H1 TIP3 1457 80.586 37.529 6.638 1.00 0.00 WT3 H ATOM 37935 H2 TIP3 1457 81.749 38.497 6.600 1.00 0.00 WT3 H ATOM 37936 OH2 TIP3 1458 69.314 82.190 59.772 1.00 0.00 WT3 O ATOM 37937 H1 TIP3 1458 69.875 82.483 60.489 1.00 0.00 WT3 H ATOM 37938 H2 TIP3 1458 69.924 81.906 59.091 1.00 0.00 WT3 H ATOM 37939 OH2 TIP3 1459 33.064 18.711 66.300 1.00 0.00 WT3 O ATOM 37940 H1 TIP3 1459 32.896 19.341 67.000 1.00 0.00 WT3 H ATOM 37941 H2 TIP3 1459 33.588 18.025 66.715 1.00 0.00 WT3 H ATOM 37942 OH2 TIP3 1460 38.076 4.948 18.231 1.00 0.00 WT3 O ATOM 37943 H1 TIP3 1460 38.023 4.155 18.764 1.00 0.00 WT3 H ATOM 37944 H2 TIP3 1460 37.367 5.504 18.555 1.00 0.00 WT3 H ATOM 37945 OH2 TIP3 1461 29.674 80.827 -15.824 1.00 0.00 WT3 O ATOM 37946 H1 TIP3 1461 29.655 81.583 -15.238 1.00 0.00 WT3 H ATOM 37947 H2 TIP3 1461 29.124 81.083 -16.564 1.00 0.00 WT3 H ATOM 37948 OH2 TIP3 1462 89.461 83.932 35.482 1.00 0.00 WT3 O ATOM 37949 H1 TIP3 1462 89.061 84.376 34.735 1.00 0.00 WT3 H ATOM 37950 H2 TIP3 1462 89.256 83.006 35.349 1.00 0.00 WT3 H ATOM 37951 OH2 TIP3 1463 56.644 76.456 29.073 1.00 0.00 WT3 O ATOM 37952 H1 TIP3 1463 56.000 75.997 29.612 1.00 0.00 WT3 H ATOM 37953 H2 TIP3 1463 56.791 75.874 28.327 1.00 0.00 WT3 H ATOM 37954 OH2 TIP3 1464 66.907 9.186 20.966 1.00 0.00 WT3 O ATOM 37955 H1 TIP3 1464 67.576 8.510 20.863 1.00 0.00 WT3 H ATOM 37956 H2 TIP3 1464 67.258 9.771 21.637 1.00 0.00 WT3 H ATOM 37957 OH2 TIP3 1465 27.017 91.641 -13.650 1.00 0.00 WT3 O ATOM 37958 H1 TIP3 1465 26.649 92.508 -13.481 1.00 0.00 WT3 H ATOM 37959 H2 TIP3 1465 27.935 91.715 -13.389 1.00 0.00 WT3 H ATOM 37960 OH2 TIP3 1467 68.475 17.364 47.717 1.00 0.00 WT3 O ATOM 37961 H1 TIP3 1467 67.801 16.905 47.215 1.00 0.00 WT3 H ATOM 37962 H2 TIP3 1467 68.160 18.266 47.775 1.00 0.00 WT3 H ATOM 37963 OH2 TIP3 1468 28.861 8.023 -12.619 1.00 0.00 WT3 O ATOM 37964 H1 TIP3 1468 29.793 7.920 -12.814 1.00 0.00 WT3 H ATOM 37965 H2 TIP3 1468 28.667 8.930 -12.854 1.00 0.00 WT3 H ATOM 37966 OH2 TIP3 1470 25.335 56.838 47.962 1.00 0.00 WT3 O ATOM 37967 H1 TIP3 1470 25.837 56.023 47.970 1.00 0.00 WT3 H ATOM 37968 H2 TIP3 1470 24.636 56.695 48.601 1.00 0.00 WT3 H ATOM 37969 OH2 TIP3 1471 29.940 88.607 3.386 1.00 0.00 WT3 O ATOM 37970 H1 TIP3 1471 29.083 88.632 2.961 1.00 0.00 WT3 H ATOM 37971 H2 TIP3 1471 30.514 88.188 2.744 1.00 0.00 WT3 H ATOM 37972 OH2 TIP3 1474 65.372 16.508 7.859 1.00 0.00 WT3 O ATOM 37973 H1 TIP3 1474 65.974 15.797 7.640 1.00 0.00 WT3 H ATOM 37974 H2 TIP3 1474 65.918 17.157 8.302 1.00 0.00 WT3 H ATOM 37975 OH2 TIP3 1475 75.424 93.924 0.087 1.00 0.00 WT3 O ATOM 37976 H1 TIP3 1475 75.826 94.649 -0.391 1.00 0.00 WT3 H ATOM 37977 H2 TIP3 1475 74.551 94.243 0.315 1.00 0.00 WT3 H ATOM 37978 OH2 TIP3 1476 25.947 25.656 10.110 1.00 0.00 WT3 O ATOM 37979 H1 TIP3 1476 26.185 26.330 10.747 1.00 0.00 WT3 H ATOM 37980 H2 TIP3 1476 26.604 24.971 10.229 1.00 0.00 WT3 H ATOM 37981 OH2 TIP3 1478 23.879 2.047 52.360 1.00 0.00 WT3 O ATOM 37982 H1 TIP3 1478 24.549 1.398 52.576 1.00 0.00 WT3 H ATOM 37983 H2 TIP3 1478 23.132 1.529 52.059 1.00 0.00 WT3 H ATOM 37984 OH2 TIP3 1479 56.541 61.320 -11.077 1.00 0.00 WT3 O ATOM 37985 H1 TIP3 1479 56.834 61.486 -10.181 1.00 0.00 WT3 H ATOM 37986 H2 TIP3 1479 56.652 60.377 -11.195 1.00 0.00 WT3 H ATOM 37987 OH2 TIP3 1480 35.687 31.084 22.415 1.00 0.00 WT3 O ATOM 37988 H1 TIP3 1480 36.376 31.661 22.085 1.00 0.00 WT3 H ATOM 37989 H2 TIP3 1480 34.879 31.583 22.297 1.00 0.00 WT3 H ATOM 37990 OH2 TIP3 1481 34.040 73.221 37.285 1.00 0.00 WT3 O ATOM 37991 H1 TIP3 1481 34.934 72.972 37.523 1.00 0.00 WT3 H ATOM 37992 H2 TIP3 1481 33.875 72.764 36.461 1.00 0.00 WT3 H ATOM 37993 OH2 TIP3 1482 25.397 88.380 7.370 1.00 0.00 WT3 O ATOM 37994 H1 TIP3 1482 24.941 88.318 8.209 1.00 0.00 WT3 H ATOM 37995 H2 TIP3 1482 24.706 88.290 6.714 1.00 0.00 WT3 H ATOM 37996 OH2 TIP3 1484 56.895 72.537 44.148 1.00 0.00 WT3 O ATOM 37997 H1 TIP3 1484 56.760 73.340 43.645 1.00 0.00 WT3 H ATOM 37998 H2 TIP3 1484 56.912 72.825 45.061 1.00 0.00 WT3 H ATOM 37999 OH2 TIP3 1486 67.204 46.448 54.630 1.00 0.00 WT3 O ATOM 38000 H1 TIP3 1486 66.825 45.969 55.367 1.00 0.00 WT3 H ATOM 38001 H2 TIP3 1486 66.509 46.461 53.971 1.00 0.00 WT3 H ATOM 38002 OH2 TIP3 1487 84.583 87.314 63.534 1.00 0.00 WT3 O ATOM 38003 H1 TIP3 1487 83.899 86.859 63.043 1.00 0.00 WT3 H ATOM 38004 H2 TIP3 1487 85.179 86.619 63.815 1.00 0.00 WT3 H ATOM 38005 OH2 TIP3 1489 21.647 61.687 51.890 1.00 0.00 WT3 O ATOM 38006 H1 TIP3 1489 21.568 60.755 52.095 1.00 0.00 WT3 H ATOM 38007 H2 TIP3 1489 20.752 62.022 51.946 1.00 0.00 WT3 H ATOM 38008 OH2 TIP3 1491 56.256 34.594 -2.443 1.00 0.00 WT3 O ATOM 38009 H1 TIP3 1491 56.267 34.764 -1.501 1.00 0.00 WT3 H ATOM 38010 H2 TIP3 1491 55.482 35.057 -2.762 1.00 0.00 WT3 H ATOM 38011 OH2 TIP3 1493 41.924 3.012 29.628 1.00 0.00 WT3 O ATOM 38012 H1 TIP3 1493 42.547 3.315 30.288 1.00 0.00 WT3 H ATOM 38013 H2 TIP3 1493 41.804 3.764 29.048 1.00 0.00 WT3 H ATOM 38014 OH2 TIP3 1494 66.974 18.987 59.088 1.00 0.00 WT3 O ATOM 38015 H1 TIP3 1494 67.923 18.984 58.959 1.00 0.00 WT3 H ATOM 38016 H2 TIP3 1494 66.699 18.099 58.861 1.00 0.00 WT3 H ATOM 38017 OH2 TIP3 1495 73.483 73.523 53.662 1.00 0.00 WT3 O ATOM 38018 H1 TIP3 1495 72.723 73.937 53.253 1.00 0.00 WT3 H ATOM 38019 H2 TIP3 1495 73.390 72.593 53.457 1.00 0.00 WT3 H ATOM 38020 OH2 TIP3 1496 86.450 33.006 6.761 1.00 0.00 WT3 O ATOM 38021 H1 TIP3 1496 85.783 32.332 6.630 1.00 0.00 WT3 H ATOM 38022 H2 TIP3 1496 87.228 32.522 7.038 1.00 0.00 WT3 H ATOM 38023 OH2 TIP3 1497 89.670 23.365 53.044 1.00 0.00 WT3 O ATOM 38024 H1 TIP3 1497 90.159 23.564 53.842 1.00 0.00 WT3 H ATOM 38025 H2 TIP3 1497 88.759 23.555 53.267 1.00 0.00 WT3 H ATOM 38026 OH2 TIP3 1499 40.411 61.684 15.078 1.00 0.00 WT3 O ATOM 38027 H1 TIP3 1499 41.070 62.361 15.231 1.00 0.00 WT3 H ATOM 38028 H2 TIP3 1499 40.591 61.019 15.743 1.00 0.00 WT3 H ATOM 38029 OH2 TIP3 1501 85.116 66.494 41.271 1.00 0.00 WT3 O ATOM 38030 H1 TIP3 1501 85.542 65.642 41.184 1.00 0.00 WT3 H ATOM 38031 H2 TIP3 1501 85.789 67.126 41.017 1.00 0.00 WT3 H ATOM 38032 OH2 TIP3 1502 34.567 7.238 12.393 1.00 0.00 WT3 O ATOM 38033 H1 TIP3 1502 34.776 7.815 13.127 1.00 0.00 WT3 H ATOM 38034 H2 TIP3 1502 34.447 6.376 12.792 1.00 0.00 WT3 H ATOM 38035 OH2 TIP3 1503 86.191 50.825 58.398 1.00 0.00 WT3 O ATOM 38036 H1 TIP3 1503 85.572 51.547 58.288 1.00 0.00 WT3 H ATOM 38037 H2 TIP3 1503 86.945 51.219 58.836 1.00 0.00 WT3 H ATOM 38038 OH2 TIP3 1504 26.083 3.307 14.169 1.00 0.00 WT3 O ATOM 38039 H1 TIP3 1504 26.906 3.257 13.683 1.00 0.00 WT3 H ATOM 38040 H2 TIP3 1504 25.509 3.834 13.614 1.00 0.00 WT3 H ATOM 38041 OH2 TIP3 1505 68.750 20.110 5.582 1.00 0.00 WT3 O ATOM 38042 H1 TIP3 1505 69.380 20.254 6.288 1.00 0.00 WT3 H ATOM 38043 H2 TIP3 1505 67.900 20.081 6.022 1.00 0.00 WT3 H ATOM 38044 OH2 TIP3 1509 49.577 22.585 44.025 1.00 0.00 WT3 O ATOM 38045 H1 TIP3 1509 50.235 22.671 44.715 1.00 0.00 WT3 H ATOM 38046 H2 TIP3 1509 49.713 21.706 43.672 1.00 0.00 WT3 H ATOM 38047 OH2 TIP3 1510 50.331 84.941 33.757 1.00 0.00 WT3 O ATOM 38048 H1 TIP3 1510 50.300 85.228 34.670 1.00 0.00 WT3 H ATOM 38049 H2 TIP3 1510 49.723 84.204 33.716 1.00 0.00 WT3 H ATOM 38050 OH2 TIP3 1511 69.711 83.842 -18.759 1.00 0.00 WT3 O ATOM 38051 H1 TIP3 1511 69.355 84.730 -18.781 1.00 0.00 WT3 H ATOM 38052 H2 TIP3 1511 68.950 83.283 -18.603 1.00 0.00 WT3 H ATOM 38053 OH2 TIP3 1512 78.787 40.299 0.511 1.00 0.00 WT3 O ATOM 38054 H1 TIP3 1512 78.911 39.395 0.219 1.00 0.00 WT3 H ATOM 38055 H2 TIP3 1512 78.603 40.787 -0.291 1.00 0.00 WT3 H ATOM 38056 OH2 TIP3 1513 77.965 67.721 55.289 1.00 0.00 WT3 O ATOM 38057 H1 TIP3 1513 78.214 68.158 54.474 1.00 0.00 WT3 H ATOM 38058 H2 TIP3 1513 78.073 66.789 55.104 1.00 0.00 WT3 H ATOM 38059 OH2 TIP3 1515 65.799 72.933 25.410 1.00 0.00 WT3 O ATOM 38060 H1 TIP3 1515 65.006 72.954 25.946 1.00 0.00 WT3 H ATOM 38061 H2 TIP3 1515 65.575 72.366 24.673 1.00 0.00 WT3 H ATOM 38062 OH2 TIP3 1516 24.065 67.113 40.431 1.00 0.00 WT3 O ATOM 38063 H1 TIP3 1516 24.470 66.257 40.570 1.00 0.00 WT3 H ATOM 38064 H2 TIP3 1516 24.277 67.333 39.523 1.00 0.00 WT3 H ATOM 38065 OH2 TIP3 1517 82.591 74.758 42.897 1.00 0.00 WT3 O ATOM 38066 H1 TIP3 1517 82.583 74.736 43.854 1.00 0.00 WT3 H ATOM 38067 H2 TIP3 1517 83.489 74.528 42.659 1.00 0.00 WT3 H ATOM 38068 OH2 TIP3 1518 88.755 16.524 47.887 1.00 0.00 WT3 O ATOM 38069 H1 TIP3 1518 87.821 16.331 47.960 1.00 0.00 WT3 H ATOM 38070 H2 TIP3 1518 89.151 16.081 48.638 1.00 0.00 WT3 H ATOM 38071 OH2 TIP3 1519 45.580 24.135 42.422 1.00 0.00 WT3 O ATOM 38072 H1 TIP3 1519 45.889 23.236 42.531 1.00 0.00 WT3 H ATOM 38073 H2 TIP3 1519 45.805 24.568 43.245 1.00 0.00 WT3 H ATOM 38074 OH2 TIP3 1520 49.467 89.701 28.778 1.00 0.00 WT3 O ATOM 38075 H1 TIP3 1520 49.210 89.566 29.690 1.00 0.00 WT3 H ATOM 38076 H2 TIP3 1520 48.807 90.300 28.429 1.00 0.00 WT3 H ATOM 38077 OH2 TIP3 1522 37.985 27.180 39.080 1.00 0.00 WT3 O ATOM 38078 H1 TIP3 1522 38.914 27.321 38.894 1.00 0.00 WT3 H ATOM 38079 H2 TIP3 1522 37.536 27.464 38.284 1.00 0.00 WT3 H ATOM 38080 OH2 TIP3 1523 27.445 78.547 -6.749 1.00 0.00 WT3 O ATOM 38081 H1 TIP3 1523 27.612 77.799 -7.322 1.00 0.00 WT3 H ATOM 38082 H2 TIP3 1523 27.615 78.216 -5.867 1.00 0.00 WT3 H ATOM 38083 OH2 TIP3 1524 45.811 77.495 2.764 1.00 0.00 WT3 O ATOM 38084 H1 TIP3 1524 46.040 76.644 3.137 1.00 0.00 WT3 H ATOM 38085 H2 TIP3 1524 45.079 77.310 2.175 1.00 0.00 WT3 H ATOM 38086 OH2 TIP3 1525 56.677 74.095 7.797 1.00 0.00 WT3 O ATOM 38087 H1 TIP3 1525 55.781 73.884 7.535 1.00 0.00 WT3 H ATOM 38088 H2 TIP3 1525 56.701 75.051 7.826 1.00 0.00 WT3 H ATOM 38089 OH2 TIP3 1529 44.433 76.260 53.565 1.00 0.00 WT3 O ATOM 38090 H1 TIP3 1529 44.794 76.221 52.680 1.00 0.00 WT3 H ATOM 38091 H2 TIP3 1529 44.814 75.505 54.013 1.00 0.00 WT3 H ATOM 38092 OH2 TIP3 1530 89.080 69.389 37.519 1.00 0.00 WT3 O ATOM 38093 H1 TIP3 1530 89.949 69.401 37.919 1.00 0.00 WT3 H ATOM 38094 H2 TIP3 1530 89.140 68.726 36.832 1.00 0.00 WT3 H ATOM 38095 OH2 TIP3 1532 50.584 81.746 16.898 1.00 0.00 WT3 O ATOM 38096 H1 TIP3 1532 49.684 81.475 17.076 1.00 0.00 WT3 H ATOM 38097 H2 TIP3 1532 50.983 81.834 17.764 1.00 0.00 WT3 H ATOM 38098 OH2 TIP3 1533 71.480 73.468 11.951 1.00 0.00 WT3 O ATOM 38099 H1 TIP3 1533 71.155 72.704 11.474 1.00 0.00 WT3 H ATOM 38100 H2 TIP3 1533 71.110 74.217 11.482 1.00 0.00 WT3 H ATOM 38101 OH2 TIP3 1541 38.295 9.273 12.971 1.00 0.00 WT3 O ATOM 38102 H1 TIP3 1541 37.698 10.019 13.022 1.00 0.00 WT3 H ATOM 38103 H2 TIP3 1541 38.432 9.014 13.882 1.00 0.00 WT3 H ATOM 38104 OH2 TIP3 1542 85.152 66.209 5.913 1.00 0.00 WT3 O ATOM 38105 H1 TIP3 1542 85.300 65.868 6.795 1.00 0.00 WT3 H ATOM 38106 H2 TIP3 1542 85.281 65.454 5.339 1.00 0.00 WT3 H ATOM 38107 OH2 TIP3 1547 21.363 78.579 24.420 1.00 0.00 WT3 O ATOM 38108 H1 TIP3 1547 21.103 77.750 24.822 1.00 0.00 WT3 H ATOM 38109 H2 TIP3 1547 21.397 78.390 23.482 1.00 0.00 WT3 H ATOM 38110 OH2 TIP3 1548 63.940 21.589 23.727 1.00 0.00 WT3 O ATOM 38111 H1 TIP3 1548 64.046 22.351 24.297 1.00 0.00 WT3 H ATOM 38112 H2 TIP3 1548 62.999 21.548 23.554 1.00 0.00 WT3 H ATOM 38113 OH2 TIP3 1550 46.221 33.752 -13.370 1.00 0.00 WT3 O ATOM 38114 H1 TIP3 1550 45.966 33.248 -12.597 1.00 0.00 WT3 H ATOM 38115 H2 TIP3 1550 45.821 34.612 -13.239 1.00 0.00 WT3 H ATOM 38116 OH2 TIP3 1551 42.293 1.979 -7.465 1.00 0.00 WT3 O ATOM 38117 H1 TIP3 1551 42.177 2.293 -6.568 1.00 0.00 WT3 H ATOM 38118 H2 TIP3 1551 41.897 2.658 -8.010 1.00 0.00 WT3 H ATOM 38119 OH2 TIP3 1558 75.985 2.364 4.398 1.00 0.00 WT3 O ATOM 38120 H1 TIP3 1558 76.072 1.430 4.209 1.00 0.00 WT3 H ATOM 38121 H2 TIP3 1558 75.120 2.448 4.800 1.00 0.00 WT3 H ATOM 38122 OH2 TIP3 1559 59.628 21.495 55.572 1.00 0.00 WT3 O ATOM 38123 H1 TIP3 1559 59.425 21.537 54.638 1.00 0.00 WT3 H ATOM 38124 H2 TIP3 1559 59.233 22.286 55.940 1.00 0.00 WT3 H ATOM 38125 OH2 TIP3 1587 31.454 9.783 1.029 1.00 0.00 WT3 O ATOM 38126 H1 TIP3 1587 31.408 10.391 1.768 1.00 0.00 WT3 H ATOM 38127 H2 TIP3 1587 32.221 10.068 0.532 1.00 0.00 WT3 H ATOM 38128 OH2 TIP3 1592 77.477 92.409 65.217 1.00 0.00 WT3 O ATOM 38129 H1 TIP3 1592 77.550 92.921 64.411 1.00 0.00 WT3 H ATOM 38130 H2 TIP3 1592 77.046 92.997 65.837 1.00 0.00 WT3 H ATOM 38131 OH2 TIP3 1593 73.865 30.883 -19.682 1.00 0.00 WT3 O ATOM 38132 H1 TIP3 1593 74.771 30.746 -19.961 1.00 0.00 WT3 H ATOM 38133 H2 TIP3 1593 73.918 31.585 -19.034 1.00 0.00 WT3 H ATOM 38134 OH2 TIP3 1609 37.371 90.413 64.740 1.00 0.00 WT3 O ATOM 38135 H1 TIP3 1609 37.922 90.861 65.382 1.00 0.00 WT3 H ATOM 38136 H2 TIP3 1609 37.925 89.710 64.398 1.00 0.00 WT3 H ATOM 38137 OH2 TIP3 1611 84.962 69.762 17.265 1.00 0.00 WT3 O ATOM 38138 H1 TIP3 1611 84.157 70.267 17.377 1.00 0.00 WT3 H ATOM 38139 H2 TIP3 1611 85.490 69.979 18.033 1.00 0.00 WT3 H ATOM 38140 OH2 TIP3 1618 67.052 21.791 3.887 1.00 0.00 WT3 O ATOM 38141 H1 TIP3 1618 66.548 22.240 4.566 1.00 0.00 WT3 H ATOM 38142 H2 TIP3 1618 67.843 21.491 4.334 1.00 0.00 WT3 H ATOM 38143 OH2 TIP3 1621 76.621 83.371 -3.672 1.00 0.00 WT3 O ATOM 38144 H1 TIP3 1621 76.158 83.415 -4.508 1.00 0.00 WT3 H ATOM 38145 H2 TIP3 1621 76.758 82.436 -3.521 1.00 0.00 WT3 H ATOM 38146 OH2 TIP3 1630 89.989 75.620 8.337 1.00 0.00 WT3 O ATOM 38147 H1 TIP3 1630 90.299 74.738 8.544 1.00 0.00 WT3 H ATOM 38148 H2 TIP3 1630 89.514 75.898 9.120 1.00 0.00 WT3 H ATOM 38149 OH2 TIP3 1650 66.043 19.049 5.741 1.00 0.00 WT3 O ATOM 38150 H1 TIP3 1650 65.260 19.204 5.213 1.00 0.00 WT3 H ATOM 38151 H2 TIP3 1650 66.462 18.292 5.332 1.00 0.00 WT3 H ATOM 38152 OH2 TIP3 1670 80.243 55.269 -7.672 1.00 0.00 WT3 O ATOM 38153 H1 TIP3 1670 80.961 54.690 -7.414 1.00 0.00 WT3 H ATOM 38154 H2 TIP3 1670 80.331 56.030 -7.099 1.00 0.00 WT3 H ATOM 38155 OH2 TIP3 1692 62.049 79.193 -0.589 1.00 0.00 WT3 O ATOM 38156 H1 TIP3 1692 61.662 79.373 0.268 1.00 0.00 WT3 H ATOM 38157 H2 TIP3 1692 62.984 79.359 -0.469 1.00 0.00 WT3 H ATOM 38158 OH2 TIP3 1707 66.838 95.829 19.433 1.00 0.00 WT3 O ATOM 38159 H1 TIP3 1707 67.717 96.147 19.638 1.00 0.00 WT3 H ATOM 38160 H2 TIP3 1707 66.981 95.102 18.827 1.00 0.00 WT3 H ATOM 38161 OH2 TIP3 1711 30.565 83.919 56.761 1.00 0.00 WT3 O ATOM 38162 H1 TIP3 1711 30.229 83.266 56.146 1.00 0.00 WT3 H ATOM 38163 H2 TIP3 1711 31.385 84.219 56.367 1.00 0.00 WT3 H ATOM 38164 OH2 TIP3 1712 25.382 23.094 24.127 1.00 0.00 WT3 O ATOM 38165 H1 TIP3 1712 25.176 22.397 23.504 1.00 0.00 WT3 H ATOM 38166 H2 TIP3 1712 25.870 22.656 24.824 1.00 0.00 WT3 H ATOM 38167 OH2 TIP3 1714 38.168 10.703 59.811 1.00 0.00 WT3 O ATOM 38168 H1 TIP3 1714 37.328 10.409 60.164 1.00 0.00 WT3 H ATOM 38169 H2 TIP3 1714 38.164 10.401 58.902 1.00 0.00 WT3 H ATOM 38170 OH2 TIP3 1715 33.487 32.659 -17.105 1.00 0.00 WT3 O ATOM 38171 H1 TIP3 1715 32.927 32.872 -16.358 1.00 0.00 WT3 H ATOM 38172 H2 TIP3 1715 34.188 33.310 -17.073 1.00 0.00 WT3 H ATOM 38173 OH2 TIP3 1718 68.303 59.472 15.002 1.00 0.00 WT3 O ATOM 38174 H1 TIP3 1718 67.892 58.617 14.873 1.00 0.00 WT3 H ATOM 38175 H2 TIP3 1718 67.876 59.828 15.781 1.00 0.00 WT3 H ATOM 38176 OH2 TIP3 1722 60.190 58.193 31.120 1.00 0.00 WT3 O ATOM 38177 H1 TIP3 1722 59.464 57.907 30.565 1.00 0.00 WT3 H ATOM 38178 H2 TIP3 1722 60.561 58.946 30.660 1.00 0.00 WT3 H ATOM 38179 OH2 TIP3 1723 78.348 44.959 64.309 1.00 0.00 WT3 O ATOM 38180 H1 TIP3 1723 78.642 44.882 63.401 1.00 0.00 WT3 H ATOM 38181 H2 TIP3 1723 77.696 44.266 64.410 1.00 0.00 WT3 H ATOM 38182 OH2 TIP3 1725 78.771 37.479 6.920 1.00 0.00 WT3 O ATOM 38183 H1 TIP3 1725 78.507 36.759 7.494 1.00 0.00 WT3 H ATOM 38184 H2 TIP3 1725 78.160 38.187 7.126 1.00 0.00 WT3 H ATOM 38185 OH2 TIP3 1727 35.049 76.327 -8.306 1.00 0.00 WT3 O ATOM 38186 H1 TIP3 1727 34.699 76.026 -9.144 1.00 0.00 WT3 H ATOM 38187 H2 TIP3 1727 35.999 76.317 -8.425 1.00 0.00 WT3 H ATOM 38188 OH2 TIP3 1729 31.660 12.999 14.329 1.00 0.00 WT3 O ATOM 38189 H1 TIP3 1729 31.347 13.410 13.523 1.00 0.00 WT3 H ATOM 38190 H2 TIP3 1729 31.060 13.311 15.007 1.00 0.00 WT3 H ATOM 38191 OH2 TIP3 1730 60.577 74.801 -9.966 1.00 0.00 WT3 O ATOM 38192 H1 TIP3 1730 61.130 74.433 -9.276 1.00 0.00 WT3 H ATOM 38193 H2 TIP3 1730 59.970 74.096 -10.189 1.00 0.00 WT3 H ATOM 38194 OH2 TIP3 1733 44.713 70.363 -14.876 1.00 0.00 WT3 O ATOM 38195 H1 TIP3 1733 44.341 70.369 -13.994 1.00 0.00 WT3 H ATOM 38196 H2 TIP3 1733 44.069 70.825 -15.412 1.00 0.00 WT3 H ATOM 38197 OH2 TIP3 1736 61.243 67.348 45.338 1.00 0.00 WT3 O ATOM 38198 H1 TIP3 1736 60.612 67.227 46.048 1.00 0.00 WT3 H ATOM 38199 H2 TIP3 1736 60.795 67.918 44.713 1.00 0.00 WT3 H ATOM 38200 OH2 TIP3 1741 60.064 91.549 23.951 1.00 0.00 WT3 O ATOM 38201 H1 TIP3 1741 59.119 91.610 23.812 1.00 0.00 WT3 H ATOM 38202 H2 TIP3 1741 60.413 91.271 23.104 1.00 0.00 WT3 H ATOM 38203 OH2 TIP3 1744 33.524 41.199 -7.325 1.00 0.00 WT3 O ATOM 38204 H1 TIP3 1744 33.163 42.071 -7.166 1.00 0.00 WT3 H ATOM 38205 H2 TIP3 1744 32.757 40.638 -7.436 1.00 0.00 WT3 H ATOM 38206 OH2 TIP3 1746 52.836 65.131 -14.354 1.00 0.00 WT3 O ATOM 38207 H1 TIP3 1746 51.957 64.837 -14.596 1.00 0.00 WT3 H ATOM 38208 H2 TIP3 1746 52.934 64.865 -13.440 1.00 0.00 WT3 H ATOM 38209 OH2 TIP3 1748 82.803 9.852 -11.020 1.00 0.00 WT3 O ATOM 38210 H1 TIP3 1748 83.330 10.532 -11.440 1.00 0.00 WT3 H ATOM 38211 H2 TIP3 1748 83.334 9.561 -10.278 1.00 0.00 WT3 H ATOM 38212 OH2 TIP3 1750 45.344 49.224 52.589 1.00 0.00 WT3 O ATOM 38213 H1 TIP3 1750 45.344 50.066 52.134 1.00 0.00 WT3 H ATOM 38214 H2 TIP3 1750 44.470 49.160 52.975 1.00 0.00 WT3 H ATOM 38215 OH2 TIP3 1752 60.545 78.567 22.711 1.00 0.00 WT3 O ATOM 38216 H1 TIP3 1752 60.179 78.699 21.837 1.00 0.00 WT3 H ATOM 38217 H2 TIP3 1752 59.962 79.056 23.292 1.00 0.00 WT3 H ATOM 38218 OH2 TIP3 1755 50.352 63.253 15.473 1.00 0.00 WT3 O ATOM 38219 H1 TIP3 1755 50.103 63.821 16.203 1.00 0.00 WT3 H ATOM 38220 H2 TIP3 1755 49.753 62.509 15.533 1.00 0.00 WT3 H ATOM 38221 OH2 TIP3 1756 66.901 83.062 49.002 1.00 0.00 WT3 O ATOM 38222 H1 TIP3 1756 67.238 82.783 49.853 1.00 0.00 WT3 H ATOM 38223 H2 TIP3 1756 67.360 83.881 48.819 1.00 0.00 WT3 H ATOM 38224 OH2 TIP3 1757 73.820 87.644 -2.232 1.00 0.00 WT3 O ATOM 38225 H1 TIP3 1757 73.720 88.472 -1.763 1.00 0.00 WT3 H ATOM 38226 H2 TIP3 1757 73.149 87.073 -1.858 1.00 0.00 WT3 H ATOM 38227 OH2 TIP3 1764 63.831 62.722 25.666 1.00 0.00 WT3 O ATOM 38228 H1 TIP3 1764 63.733 63.440 25.040 1.00 0.00 WT3 H ATOM 38229 H2 TIP3 1764 63.604 61.937 25.168 1.00 0.00 WT3 H ATOM 38230 OH2 TIP3 1766 33.912 82.383 -19.671 1.00 0.00 WT3 O ATOM 38231 H1 TIP3 1766 33.923 83.000 -18.940 1.00 0.00 WT3 H ATOM 38232 H2 TIP3 1766 33.092 81.900 -19.565 1.00 0.00 WT3 H ATOM 38233 OH2 TIP3 1768 46.981 73.140 27.628 1.00 0.00 WT3 O ATOM 38234 H1 TIP3 1768 47.235 72.242 27.837 1.00 0.00 WT3 H ATOM 38235 H2 TIP3 1768 47.313 73.284 26.741 1.00 0.00 WT3 H ATOM 38236 OH2 TIP3 1771 29.569 62.736 16.807 1.00 0.00 WT3 O ATOM 38237 H1 TIP3 1771 30.103 63.316 16.263 1.00 0.00 WT3 H ATOM 38238 H2 TIP3 1771 29.763 61.857 16.483 1.00 0.00 WT3 H ATOM 38239 OH2 TIP3 1772 39.195 48.509 11.713 1.00 0.00 WT3 O ATOM 38240 H1 TIP3 1772 40.138 48.551 11.870 1.00 0.00 WT3 H ATOM 38241 H2 TIP3 1772 38.963 49.387 11.408 1.00 0.00 WT3 H ATOM 38242 OH2 TIP3 1773 86.755 39.668 35.157 1.00 0.00 WT3 O ATOM 38243 H1 TIP3 1773 87.448 39.078 34.860 1.00 0.00 WT3 H ATOM 38244 H2 TIP3 1773 87.210 40.479 35.383 1.00 0.00 WT3 H ATOM 38245 OH2 TIP3 1775 26.747 25.491 -13.402 1.00 0.00 WT3 O ATOM 38246 H1 TIP3 1775 26.528 24.969 -12.630 1.00 0.00 WT3 H ATOM 38247 H2 TIP3 1775 26.351 26.346 -13.235 1.00 0.00 WT3 H ATOM 38248 OH2 TIP3 1776 79.387 79.773 27.608 1.00 0.00 WT3 O ATOM 38249 H1 TIP3 1776 78.612 79.749 28.170 1.00 0.00 WT3 H ATOM 38250 H2 TIP3 1776 79.809 78.925 27.745 1.00 0.00 WT3 H ATOM 38251 OH2 TIP3 1778 81.361 91.327 -18.513 1.00 0.00 WT3 O ATOM 38252 H1 TIP3 1778 81.034 90.793 -19.237 1.00 0.00 WT3 H ATOM 38253 H2 TIP3 1778 81.538 92.182 -18.906 1.00 0.00 WT3 H ATOM 38254 OH2 TIP3 1779 55.232 76.638 49.772 1.00 0.00 WT3 O ATOM 38255 H1 TIP3 1779 55.646 76.085 49.109 1.00 0.00 WT3 H ATOM 38256 H2 TIP3 1779 55.939 76.855 50.379 1.00 0.00 WT3 H ATOM 38257 OH2 TIP3 1782 43.737 60.363 56.829 1.00 0.00 WT3 O ATOM 38258 H1 TIP3 1782 43.960 61.293 56.794 1.00 0.00 WT3 H ATOM 38259 H2 TIP3 1782 43.555 60.125 55.920 1.00 0.00 WT3 H ATOM 38260 OH2 TIP3 1786 41.049 4.348 20.272 1.00 0.00 WT3 O ATOM 38261 H1 TIP3 1786 41.553 4.300 19.460 1.00 0.00 WT3 H ATOM 38262 H2 TIP3 1786 40.734 3.455 20.412 1.00 0.00 WT3 H ATOM 38263 OH2 TIP3 1788 44.872 57.639 53.807 1.00 0.00 WT3 O ATOM 38264 H1 TIP3 1788 44.573 57.454 54.698 1.00 0.00 WT3 H ATOM 38265 H2 TIP3 1788 44.444 58.465 53.578 1.00 0.00 WT3 H ATOM 38266 OH2 TIP3 1789 46.897 4.488 54.386 1.00 0.00 WT3 O ATOM 38267 H1 TIP3 1789 47.201 3.600 54.574 1.00 0.00 WT3 H ATOM 38268 H2 TIP3 1789 46.719 4.487 53.446 1.00 0.00 WT3 H ATOM 38269 OH2 TIP3 1790 78.414 75.190 -5.929 1.00 0.00 WT3 O ATOM 38270 H1 TIP3 1790 77.584 75.042 -5.476 1.00 0.00 WT3 H ATOM 38271 H2 TIP3 1790 78.652 76.090 -5.707 1.00 0.00 WT3 H ATOM 38272 OH2 TIP3 1794 54.418 9.717 28.996 1.00 0.00 WT3 O ATOM 38273 H1 TIP3 1794 55.159 9.424 29.526 1.00 0.00 WT3 H ATOM 38274 H2 TIP3 1794 54.790 10.367 28.401 1.00 0.00 WT3 H ATOM 38275 OH2 TIP3 1795 55.915 70.398 42.906 1.00 0.00 WT3 O ATOM 38276 H1 TIP3 1795 56.135 71.196 43.385 1.00 0.00 WT3 H ATOM 38277 H2 TIP3 1795 55.548 70.707 42.077 1.00 0.00 WT3 H ATOM 38278 OH2 TIP3 1796 82.986 54.763 65.178 1.00 0.00 WT3 O ATOM 38279 H1 TIP3 1796 82.172 54.524 64.736 1.00 0.00 WT3 H ATOM 38280 H2 TIP3 1796 83.608 54.083 64.920 1.00 0.00 WT3 H ATOM 38281 OH2 TIP3 1798 65.404 43.801 27.649 1.00 0.00 WT3 O ATOM 38282 H1 TIP3 1798 66.059 44.475 27.831 1.00 0.00 WT3 H ATOM 38283 H2 TIP3 1798 64.631 44.078 28.142 1.00 0.00 WT3 H ATOM 38284 OH2 TIP3 1800 31.278 71.584 27.735 1.00 0.00 WT3 O ATOM 38285 H1 TIP3 1800 31.976 72.235 27.817 1.00 0.00 WT3 H ATOM 38286 H2 TIP3 1800 30.490 72.039 28.031 1.00 0.00 WT3 H ATOM 38287 OH2 TIP3 1804 88.178 15.008 -8.779 1.00 0.00 WT3 O ATOM 38288 H1 TIP3 1804 87.734 15.515 -8.099 1.00 0.00 WT3 H ATOM 38289 H2 TIP3 1804 88.956 14.656 -8.346 1.00 0.00 WT3 H ATOM 38290 OH2 TIP3 1805 56.172 94.984 66.337 1.00 0.00 WT3 O ATOM 38291 H1 TIP3 1805 56.074 94.472 67.139 1.00 0.00 WT3 H ATOM 38292 H2 TIP3 1805 56.206 95.893 66.635 1.00 0.00 WT3 H ATOM 38293 OH2 TIP3 1808 52.269 30.770 -3.362 1.00 0.00 WT3 O ATOM 38294 H1 TIP3 1808 51.796 31.599 -3.305 1.00 0.00 WT3 H ATOM 38295 H2 TIP3 1808 53.193 31.018 -3.324 1.00 0.00 WT3 H ATOM 38296 OH2 TIP3 1810 41.486 24.017 65.508 1.00 0.00 WT3 O ATOM 38297 H1 TIP3 1810 42.055 23.278 65.722 1.00 0.00 WT3 H ATOM 38298 H2 TIP3 1810 41.820 24.342 64.672 1.00 0.00 WT3 H ATOM 38299 OH2 TIP3 1811 32.890 92.390 40.295 1.00 0.00 WT3 O ATOM 38300 H1 TIP3 1811 32.931 91.474 40.569 1.00 0.00 WT3 H ATOM 38301 H2 TIP3 1811 32.004 92.670 40.523 1.00 0.00 WT3 H ATOM 38302 OH2 TIP3 1812 37.558 48.388 -19.559 1.00 0.00 WT3 O ATOM 38303 H1 TIP3 1812 38.055 47.775 -19.016 1.00 0.00 WT3 H ATOM 38304 H2 TIP3 1812 37.268 47.865 -20.306 1.00 0.00 WT3 H ATOM 38305 OH2 TIP3 1813 86.642 11.547 58.591 1.00 0.00 WT3 O ATOM 38306 H1 TIP3 1813 86.384 12.445 58.796 1.00 0.00 WT3 H ATOM 38307 H2 TIP3 1813 87.217 11.630 57.830 1.00 0.00 WT3 H ATOM 38308 OH2 TIP3 1814 32.105 54.599 18.793 1.00 0.00 WT3 O ATOM 38309 H1 TIP3 1814 33.020 54.493 19.056 1.00 0.00 WT3 H ATOM 38310 H2 TIP3 1814 32.032 55.521 18.546 1.00 0.00 WT3 H ATOM 38311 OH2 TIP3 1815 90.363 73.347 17.140 1.00 0.00 WT3 O ATOM 38312 H1 TIP3 1815 89.461 73.092 17.335 1.00 0.00 WT3 H ATOM 38313 H2 TIP3 1815 90.895 72.630 17.485 1.00 0.00 WT3 H ATOM 38314 OH2 TIP3 1816 51.565 96.460 59.065 1.00 0.00 WT3 O ATOM 38315 H1 TIP3 1816 50.969 96.704 59.773 1.00 0.00 WT3 H ATOM 38316 H2 TIP3 1816 52.246 95.941 59.494 1.00 0.00 WT3 H ATOM 38317 OH2 TIP3 1817 52.307 11.405 60.838 1.00 0.00 WT3 O ATOM 38318 H1 TIP3 1817 53.254 11.372 60.971 1.00 0.00 WT3 H ATOM 38319 H2 TIP3 1817 51.980 11.926 61.572 1.00 0.00 WT3 H ATOM 38320 OH2 TIP3 1818 85.686 30.578 36.354 1.00 0.00 WT3 O ATOM 38321 H1 TIP3 1818 86.520 30.990 36.581 1.00 0.00 WT3 H ATOM 38322 H2 TIP3 1818 85.892 29.647 36.274 1.00 0.00 WT3 H ATOM 38323 OH2 TIP3 1819 53.447 77.528 -11.904 1.00 0.00 WT3 O ATOM 38324 H1 TIP3 1819 52.845 76.938 -11.451 1.00 0.00 WT3 H ATOM 38325 H2 TIP3 1819 54.304 77.109 -11.819 1.00 0.00 WT3 H ATOM 38326 OH2 TIP3 1820 30.092 64.441 37.933 1.00 0.00 WT3 O ATOM 38327 H1 TIP3 1820 29.490 64.132 37.256 1.00 0.00 WT3 H ATOM 38328 H2 TIP3 1820 30.963 64.318 37.554 1.00 0.00 WT3 H ATOM 38329 OH2 TIP3 1821 49.023 85.475 2.206 1.00 0.00 WT3 O ATOM 38330 H1 TIP3 1821 48.076 85.558 2.319 1.00 0.00 WT3 H ATOM 38331 H2 TIP3 1821 49.162 84.547 2.019 1.00 0.00 WT3 H ATOM 38332 OH2 TIP3 1824 31.788 85.356 26.079 1.00 0.00 WT3 O ATOM 38333 H1 TIP3 1824 32.478 84.986 25.528 1.00 0.00 WT3 H ATOM 38334 H2 TIP3 1824 32.219 85.537 26.914 1.00 0.00 WT3 H ATOM 38335 OH2 TIP3 1825 49.185 50.676 52.886 1.00 0.00 WT3 O ATOM 38336 H1 TIP3 1825 48.955 51.540 52.544 1.00 0.00 WT3 H ATOM 38337 H2 TIP3 1825 49.687 50.265 52.183 1.00 0.00 WT3 H ATOM 38338 OH2 TIP3 1828 63.101 52.346 13.307 1.00 0.00 WT3 O ATOM 38339 H1 TIP3 1828 63.066 52.936 14.060 1.00 0.00 WT3 H ATOM 38340 H2 TIP3 1828 62.812 51.501 13.651 1.00 0.00 WT3 H ATOM 38341 OH2 TIP3 1829 45.896 78.414 -15.598 1.00 0.00 WT3 O ATOM 38342 H1 TIP3 1829 45.513 78.594 -16.456 1.00 0.00 WT3 H ATOM 38343 H2 TIP3 1829 45.602 79.139 -15.047 1.00 0.00 WT3 H ATOM 38344 OH2 TIP3 1830 50.512 30.274 -0.193 1.00 0.00 WT3 O ATOM 38345 H1 TIP3 1830 50.253 30.623 0.660 1.00 0.00 WT3 H ATOM 38346 H2 TIP3 1830 49.949 30.728 -0.820 1.00 0.00 WT3 H ATOM 38347 OH2 TIP3 1831 34.018 42.308 9.317 1.00 0.00 WT3 O ATOM 38348 H1 TIP3 1831 34.882 42.570 8.998 1.00 0.00 WT3 H ATOM 38349 H2 TIP3 1831 33.991 42.621 10.221 1.00 0.00 WT3 H ATOM 38350 OH2 TIP3 1832 86.874 2.079 7.364 1.00 0.00 WT3 O ATOM 38351 H1 TIP3 1832 87.185 2.911 7.010 1.00 0.00 WT3 H ATOM 38352 H2 TIP3 1832 87.019 2.151 8.308 1.00 0.00 WT3 H ATOM 38353 OH2 TIP3 1833 67.924 9.466 44.313 1.00 0.00 WT3 O ATOM 38354 H1 TIP3 1833 67.801 8.569 44.622 1.00 0.00 WT3 H ATOM 38355 H2 TIP3 1833 67.064 9.726 43.982 1.00 0.00 WT3 H ATOM 38356 OH2 TIP3 1835 73.861 57.916 64.297 1.00 0.00 WT3 O ATOM 38357 H1 TIP3 1835 73.222 58.192 63.640 1.00 0.00 WT3 H ATOM 38358 H2 TIP3 1835 73.728 56.971 64.379 1.00 0.00 WT3 H ATOM 38359 OH2 TIP3 1836 27.163 96.012 55.273 1.00 0.00 WT3 O ATOM 38360 H1 TIP3 1836 28.078 95.942 55.000 1.00 0.00 WT3 H ATOM 38361 H2 TIP3 1836 27.020 96.951 55.395 1.00 0.00 WT3 H ATOM 38362 OH2 TIP3 1837 41.613 0.936 58.472 1.00 0.00 WT3 O ATOM 38363 H1 TIP3 1837 41.396 0.462 57.669 1.00 0.00 WT3 H ATOM 38364 H2 TIP3 1837 41.286 0.376 59.176 1.00 0.00 WT3 H ATOM 38365 OH2 TIP3 1838 78.061 25.249 61.699 1.00 0.00 WT3 O ATOM 38366 H1 TIP3 1838 78.895 25.699 61.563 1.00 0.00 WT3 H ATOM 38367 H2 TIP3 1838 78.045 25.052 62.636 1.00 0.00 WT3 H ATOM 38368 OH2 TIP3 1839 24.003 71.853 24.372 1.00 0.00 WT3 O ATOM 38369 H1 TIP3 1839 23.046 71.880 24.346 1.00 0.00 WT3 H ATOM 38370 H2 TIP3 1839 24.238 71.114 23.811 1.00 0.00 WT3 H ATOM 38371 OH2 TIP3 1840 66.278 82.081 13.266 1.00 0.00 WT3 O ATOM 38372 H1 TIP3 1840 66.890 82.628 12.773 1.00 0.00 WT3 H ATOM 38373 H2 TIP3 1840 66.659 82.027 14.143 1.00 0.00 WT3 H ATOM 38374 OH2 TIP3 1841 89.888 91.575 64.194 1.00 0.00 WT3 O ATOM 38375 H1 TIP3 1841 90.425 92.153 63.652 1.00 0.00 WT3 H ATOM 38376 H2 TIP3 1841 90.452 90.822 64.372 1.00 0.00 WT3 H ATOM 38377 OH2 TIP3 1842 71.499 93.581 14.336 1.00 0.00 WT3 O ATOM 38378 H1 TIP3 1842 72.156 93.889 14.961 1.00 0.00 WT3 H ATOM 38379 H2 TIP3 1842 71.679 92.646 14.239 1.00 0.00 WT3 H ATOM 38380 OH2 TIP3 1843 44.324 34.196 37.885 1.00 0.00 WT3 O ATOM 38381 H1 TIP3 1843 45.262 34.005 37.882 1.00 0.00 WT3 H ATOM 38382 H2 TIP3 1843 44.269 35.133 37.699 1.00 0.00 WT3 H ATOM 38383 OH2 TIP3 1844 46.555 67.409 33.207 1.00 0.00 WT3 O ATOM 38384 H1 TIP3 1844 46.671 66.820 33.952 1.00 0.00 WT3 H ATOM 38385 H2 TIP3 1844 47.377 67.346 32.721 1.00 0.00 WT3 H ATOM 38386 OH2 TIP3 1845 76.200 43.210 26.332 1.00 0.00 WT3 O ATOM 38387 H1 TIP3 1845 76.290 42.638 25.570 1.00 0.00 WT3 H ATOM 38388 H2 TIP3 1845 76.517 44.062 26.031 1.00 0.00 WT3 H ATOM 38389 OH2 TIP3 1846 68.604 53.625 -17.647 1.00 0.00 WT3 O ATOM 38390 H1 TIP3 1846 67.882 53.036 -17.429 1.00 0.00 WT3 H ATOM 38391 H2 TIP3 1846 68.250 54.195 -18.331 1.00 0.00 WT3 H ATOM 38392 OH2 TIP3 1847 75.610 24.026 -10.843 1.00 0.00 WT3 O ATOM 38393 H1 TIP3 1847 75.758 23.376 -10.156 1.00 0.00 WT3 H ATOM 38394 H2 TIP3 1847 76.444 24.079 -11.308 1.00 0.00 WT3 H ATOM 38395 OH2 TIP3 1848 49.101 87.335 -5.080 1.00 0.00 WT3 O ATOM 38396 H1 TIP3 1848 48.159 87.166 -5.070 1.00 0.00 WT3 H ATOM 38397 H2 TIP3 1848 49.429 86.826 -5.820 1.00 0.00 WT3 H ATOM 38398 OH2 TIP3 1850 47.900 30.905 -2.790 1.00 0.00 WT3 O ATOM 38399 H1 TIP3 1850 47.409 31.578 -3.262 1.00 0.00 WT3 H ATOM 38400 H2 TIP3 1850 47.954 31.232 -1.892 1.00 0.00 WT3 H ATOM 38401 OH2 TIP3 1851 55.635 79.280 31.294 1.00 0.00 WT3 O ATOM 38402 H1 TIP3 1851 55.491 78.667 32.015 1.00 0.00 WT3 H ATOM 38403 H2 TIP3 1851 54.910 79.902 31.360 1.00 0.00 WT3 H ATOM 38404 OH2 TIP3 1852 79.825 90.351 22.006 1.00 0.00 WT3 O ATOM 38405 H1 TIP3 1852 79.855 91.289 21.816 1.00 0.00 WT3 H ATOM 38406 H2 TIP3 1852 78.914 90.185 22.249 1.00 0.00 WT3 H ATOM 38407 OH2 TIP3 1853 75.259 47.354 28.372 1.00 0.00 WT3 O ATOM 38408 H1 TIP3 1853 75.377 48.270 28.625 1.00 0.00 WT3 H ATOM 38409 H2 TIP3 1853 74.314 47.210 28.427 1.00 0.00 WT3 H ATOM 38410 OH2 TIP3 1854 21.361 96.424 -20.118 1.00 0.00 WT3 O ATOM 38411 H1 TIP3 1854 21.068 95.516 -20.197 1.00 0.00 WT3 H ATOM 38412 H2 TIP3 1854 21.481 96.556 -19.177 1.00 0.00 WT3 H ATOM 38413 OH2 TIP3 1856 86.360 60.889 5.932 1.00 0.00 WT3 O ATOM 38414 H1 TIP3 1856 86.424 60.976 6.883 1.00 0.00 WT3 H ATOM 38415 H2 TIP3 1856 87.042 60.257 5.703 1.00 0.00 WT3 H ATOM 38416 OH2 TIP3 1857 32.037 83.255 34.800 1.00 0.00 WT3 O ATOM 38417 H1 TIP3 1857 31.432 83.727 35.373 1.00 0.00 WT3 H ATOM 38418 H2 TIP3 1857 31.476 82.678 34.283 1.00 0.00 WT3 H ATOM 38419 OH2 TIP3 1858 24.629 8.021 -9.036 1.00 0.00 WT3 O ATOM 38420 H1 TIP3 1858 23.691 7.966 -9.214 1.00 0.00 WT3 H ATOM 38421 H2 TIP3 1858 25.026 7.397 -9.644 1.00 0.00 WT3 H ATOM 38422 OH2 TIP3 1859 55.979 57.632 -3.172 1.00 0.00 WT3 O ATOM 38423 H1 TIP3 1859 55.328 58.173 -2.724 1.00 0.00 WT3 H ATOM 38424 H2 TIP3 1859 56.511 57.263 -2.467 1.00 0.00 WT3 H ATOM 38425 OH2 TIP3 1860 82.574 67.608 -16.847 1.00 0.00 WT3 O ATOM 38426 H1 TIP3 1860 83.491 67.869 -16.756 1.00 0.00 WT3 H ATOM 38427 H2 TIP3 1860 82.099 68.190 -16.255 1.00 0.00 WT3 H ATOM 38428 OH2 TIP3 1861 38.345 4.989 8.014 1.00 0.00 WT3 O ATOM 38429 H1 TIP3 1861 37.953 5.681 7.480 1.00 0.00 WT3 H ATOM 38430 H2 TIP3 1861 38.062 5.185 8.907 1.00 0.00 WT3 H ATOM 38431 OH2 TIP3 1863 34.874 60.677 4.622 1.00 0.00 WT3 O ATOM 38432 H1 TIP3 1863 35.497 60.600 5.344 1.00 0.00 WT3 H ATOM 38433 H2 TIP3 1863 34.348 61.446 4.839 1.00 0.00 WT3 H ATOM 38434 OH2 TIP3 1864 42.153 63.085 -11.685 1.00 0.00 WT3 O ATOM 38435 H1 TIP3 1864 42.382 63.105 -10.756 1.00 0.00 WT3 H ATOM 38436 H2 TIP3 1864 42.811 63.637 -12.107 1.00 0.00 WT3 H ATOM 38437 OH2 TIP3 1866 54.590 70.730 52.234 1.00 0.00 WT3 O ATOM 38438 H1 TIP3 1866 54.187 70.896 51.382 1.00 0.00 WT3 H ATOM 38439 H2 TIP3 1866 55.328 71.338 52.273 1.00 0.00 WT3 H ATOM 38440 OH2 TIP3 1869 79.579 84.185 4.625 1.00 0.00 WT3 O ATOM 38441 H1 TIP3 1869 79.683 84.460 3.714 1.00 0.00 WT3 H ATOM 38442 H2 TIP3 1869 80.281 83.549 4.766 1.00 0.00 WT3 H ATOM 38443 OH2 TIP3 1870 75.845 63.963 33.992 1.00 0.00 WT3 O ATOM 38444 H1 TIP3 1870 75.095 63.382 34.119 1.00 0.00 WT3 H ATOM 38445 H2 TIP3 1870 75.461 64.786 33.688 1.00 0.00 WT3 H ATOM 38446 OH2 TIP3 1871 23.010 62.066 35.643 1.00 0.00 WT3 O ATOM 38447 H1 TIP3 1871 23.526 61.278 35.811 1.00 0.00 WT3 H ATOM 38448 H2 TIP3 1871 23.531 62.565 35.014 1.00 0.00 WT3 H ATOM 38449 OH2 TIP3 1872 75.560 49.902 17.709 1.00 0.00 WT3 O ATOM 38450 H1 TIP3 1872 75.543 50.850 17.840 1.00 0.00 WT3 H ATOM 38451 H2 TIP3 1872 74.654 49.624 17.845 1.00 0.00 WT3 H ATOM 38452 OH2 TIP3 1873 76.657 95.070 60.483 1.00 0.00 WT3 O ATOM 38453 H1 TIP3 1873 77.614 95.031 60.492 1.00 0.00 WT3 H ATOM 38454 H2 TIP3 1873 76.385 94.194 60.209 1.00 0.00 WT3 H ATOM 38455 OH2 TIP3 1874 22.334 70.134 -7.758 1.00 0.00 WT3 O ATOM 38456 H1 TIP3 1874 21.537 70.656 -7.664 1.00 0.00 WT3 H ATOM 38457 H2 TIP3 1874 22.538 69.846 -6.868 1.00 0.00 WT3 H ATOM 38458 OH2 TIP3 1875 41.878 71.692 -7.477 1.00 0.00 WT3 O ATOM 38459 H1 TIP3 1875 41.084 71.690 -6.942 1.00 0.00 WT3 H ATOM 38460 H2 TIP3 1875 42.418 70.994 -7.108 1.00 0.00 WT3 H ATOM 38461 OH2 TIP3 1876 33.933 13.433 -6.428 1.00 0.00 WT3 O ATOM 38462 H1 TIP3 1876 33.573 14.013 -5.757 1.00 0.00 WT3 H ATOM 38463 H2 TIP3 1876 33.171 12.977 -6.785 1.00 0.00 WT3 H ATOM 38464 OH2 TIP3 1878 76.862 89.085 62.559 1.00 0.00 WT3 O ATOM 38465 H1 TIP3 1878 76.581 89.915 62.174 1.00 0.00 WT3 H ATOM 38466 H2 TIP3 1878 77.137 89.313 63.447 1.00 0.00 WT3 H ATOM 38467 OH2 TIP3 1879 40.192 72.679 -15.803 1.00 0.00 WT3 O ATOM 38468 H1 TIP3 1879 39.965 72.275 -14.965 1.00 0.00 WT3 H ATOM 38469 H2 TIP3 1879 39.376 73.078 -16.105 1.00 0.00 WT3 H ATOM 38470 OH2 TIP3 1880 62.078 87.717 6.316 1.00 0.00 WT3 O ATOM 38471 H1 TIP3 1880 61.918 86.774 6.280 1.00 0.00 WT3 H ATOM 38472 H2 TIP3 1880 62.682 87.885 5.593 1.00 0.00 WT3 H ATOM 38473 OH2 TIP3 1881 31.913 57.126 -14.702 1.00 0.00 WT3 O ATOM 38474 H1 TIP3 1881 32.579 57.401 -15.331 1.00 0.00 WT3 H ATOM 38475 H2 TIP3 1881 32.318 57.266 -13.846 1.00 0.00 WT3 H ATOM 38476 OH2 TIP3 1882 49.056 68.054 32.631 1.00 0.00 WT3 O ATOM 38477 H1 TIP3 1882 49.849 68.099 32.098 1.00 0.00 WT3 H ATOM 38478 H2 TIP3 1882 49.375 67.949 33.528 1.00 0.00 WT3 H ATOM 38479 OH2 TIP3 1883 85.302 32.316 49.439 1.00 0.00 WT3 O ATOM 38480 H1 TIP3 1883 84.813 32.174 50.250 1.00 0.00 WT3 H ATOM 38481 H2 TIP3 1883 84.934 31.683 48.822 1.00 0.00 WT3 H ATOM 38482 OH2 TIP3 1885 50.205 85.639 39.437 1.00 0.00 WT3 O ATOM 38483 H1 TIP3 1885 50.677 86.191 40.061 1.00 0.00 WT3 H ATOM 38484 H2 TIP3 1885 49.475 85.278 39.941 1.00 0.00 WT3 H ATOM 38485 OH2 TIP3 1886 42.452 14.455 57.958 1.00 0.00 WT3 O ATOM 38486 H1 TIP3 1886 42.030 13.602 58.066 1.00 0.00 WT3 H ATOM 38487 H2 TIP3 1886 43.291 14.257 57.543 1.00 0.00 WT3 H ATOM 38488 OH2 TIP3 1887 20.670 72.378 -7.806 1.00 0.00 WT3 O ATOM 38489 H1 TIP3 1887 19.738 72.201 -7.677 1.00 0.00 WT3 H ATOM 38490 H2 TIP3 1887 20.895 73.000 -7.114 1.00 0.00 WT3 H ATOM 38491 OH2 TIP3 1888 60.622 94.245 47.259 1.00 0.00 WT3 O ATOM 38492 H1 TIP3 1888 59.672 94.282 47.373 1.00 0.00 WT3 H ATOM 38493 H2 TIP3 1888 60.973 94.334 48.145 1.00 0.00 WT3 H ATOM 38494 OH2 TIP3 1889 36.578 65.918 47.982 1.00 0.00 WT3 O ATOM 38495 H1 TIP3 1889 37.297 65.451 48.408 1.00 0.00 WT3 H ATOM 38496 H2 TIP3 1889 36.837 65.971 47.062 1.00 0.00 WT3 H ATOM 38497 OH2 TIP3 1890 74.377 57.706 15.079 1.00 0.00 WT3 O ATOM 38498 H1 TIP3 1890 74.565 58.095 15.933 1.00 0.00 WT3 H ATOM 38499 H2 TIP3 1890 74.335 56.765 15.249 1.00 0.00 WT3 H ATOM 38500 OH2 TIP3 1891 26.375 32.322 -14.522 1.00 0.00 WT3 O ATOM 38501 H1 TIP3 1891 26.601 32.203 -15.445 1.00 0.00 WT3 H ATOM 38502 H2 TIP3 1891 27.137 32.760 -14.143 1.00 0.00 WT3 H ATOM 38503 OH2 TIP3 1893 46.337 6.402 32.600 1.00 0.00 WT3 O ATOM 38504 H1 TIP3 1893 46.213 5.542 33.002 1.00 0.00 WT3 H ATOM 38505 H2 TIP3 1893 47.075 6.785 33.075 1.00 0.00 WT3 H ATOM 38506 OH2 TIP3 1894 90.161 88.175 -7.473 1.00 0.00 WT3 O ATOM 38507 H1 TIP3 1894 90.988 88.574 -7.204 1.00 0.00 WT3 H ATOM 38508 H2 TIP3 1894 90.227 87.265 -7.183 1.00 0.00 WT3 H ATOM 38509 OH2 TIP3 1895 47.409 17.376 49.358 1.00 0.00 WT3 O ATOM 38510 H1 TIP3 1895 46.839 17.896 48.792 1.00 0.00 WT3 H ATOM 38511 H2 TIP3 1895 46.928 16.561 49.500 1.00 0.00 WT3 H ATOM 38512 OH2 TIP3 1896 76.963 66.114 66.438 1.00 0.00 WT3 O ATOM 38513 H1 TIP3 1896 77.246 65.217 66.256 1.00 0.00 WT3 H ATOM 38514 H2 TIP3 1896 77.144 66.592 65.629 1.00 0.00 WT3 H ATOM 38515 OH2 TIP3 1897 33.353 73.442 16.766 1.00 0.00 WT3 O ATOM 38516 H1 TIP3 1897 33.614 72.922 17.526 1.00 0.00 WT3 H ATOM 38517 H2 TIP3 1897 33.807 73.035 16.028 1.00 0.00 WT3 H ATOM 38518 OH2 TIP3 1898 85.545 67.799 25.683 1.00 0.00 WT3 O ATOM 38519 H1 TIP3 1898 85.217 66.936 25.937 1.00 0.00 WT3 H ATOM 38520 H2 TIP3 1898 85.138 68.403 26.305 1.00 0.00 WT3 H ATOM 38521 OH2 TIP3 1899 31.486 73.415 -1.069 1.00 0.00 WT3 O ATOM 38522 H1 TIP3 1899 31.486 72.987 -0.212 1.00 0.00 WT3 H ATOM 38523 H2 TIP3 1899 32.366 73.263 -1.413 1.00 0.00 WT3 H ATOM 38524 OH2 TIP3 1900 56.168 62.677 54.071 1.00 0.00 WT3 O ATOM 38525 H1 TIP3 1900 56.928 63.143 53.722 1.00 0.00 WT3 H ATOM 38526 H2 TIP3 1900 56.533 62.075 54.720 1.00 0.00 WT3 H ATOM 38527 OH2 TIP3 1901 28.857 88.059 62.348 1.00 0.00 WT3 O ATOM 38528 H1 TIP3 1901 28.222 88.763 62.475 1.00 0.00 WT3 H ATOM 38529 H2 TIP3 1901 28.799 87.847 61.417 1.00 0.00 WT3 H ATOM 38530 OH2 TIP3 1902 28.152 64.708 24.507 1.00 0.00 WT3 O ATOM 38531 H1 TIP3 1902 28.940 64.229 24.764 1.00 0.00 WT3 H ATOM 38532 H2 TIP3 1902 27.953 65.264 25.261 1.00 0.00 WT3 H ATOM 38533 OH2 TIP3 1903 50.356 23.741 20.247 1.00 0.00 WT3 O ATOM 38534 H1 TIP3 1903 50.626 24.312 19.528 1.00 0.00 WT3 H ATOM 38535 H2 TIP3 1903 51.164 23.565 20.730 1.00 0.00 WT3 H ATOM 38536 OH2 TIP3 1904 66.820 54.642 -11.902 1.00 0.00 WT3 O ATOM 38537 H1 TIP3 1904 65.931 54.319 -12.051 1.00 0.00 WT3 H ATOM 38538 H2 TIP3 1904 67.078 55.029 -12.739 1.00 0.00 WT3 H ATOM 38539 OH2 TIP3 1905 23.047 94.226 39.485 1.00 0.00 WT3 O ATOM 38540 H1 TIP3 1905 23.285 93.335 39.226 1.00 0.00 WT3 H ATOM 38541 H2 TIP3 1905 22.648 94.604 38.702 1.00 0.00 WT3 H ATOM 38542 OH2 TIP3 1906 33.331 81.476 -7.171 1.00 0.00 WT3 O ATOM 38543 H1 TIP3 1906 33.527 80.984 -6.374 1.00 0.00 WT3 H ATOM 38544 H2 TIP3 1906 32.376 81.465 -7.231 1.00 0.00 WT3 H ATOM 38545 OH2 TIP3 1907 89.117 89.568 9.587 1.00 0.00 WT3 O ATOM 38546 H1 TIP3 1907 89.746 89.636 10.305 1.00 0.00 WT3 H ATOM 38547 H2 TIP3 1907 88.794 88.669 9.635 1.00 0.00 WT3 H ATOM 38548 OH2 TIP3 1908 35.090 22.049 18.556 1.00 0.00 WT3 O ATOM 38549 H1 TIP3 1908 35.154 22.942 18.218 1.00 0.00 WT3 H ATOM 38550 H2 TIP3 1908 35.901 21.920 19.048 1.00 0.00 WT3 H ATOM 38551 OH2 TIP3 1909 63.234 87.789 -12.784 1.00 0.00 WT3 O ATOM 38552 H1 TIP3 1909 63.259 86.912 -12.403 1.00 0.00 WT3 H ATOM 38553 H2 TIP3 1909 62.370 88.128 -12.551 1.00 0.00 WT3 H ATOM 38554 OH2 TIP3 1911 74.192 29.317 -11.349 1.00 0.00 WT3 O ATOM 38555 H1 TIP3 1911 74.451 30.219 -11.538 1.00 0.00 WT3 H ATOM 38556 H2 TIP3 1911 74.034 29.305 -10.405 1.00 0.00 WT3 H ATOM 38557 OH2 TIP3 1912 57.378 92.130 11.879 1.00 0.00 WT3 O ATOM 38558 H1 TIP3 1912 57.590 92.990 11.516 1.00 0.00 WT3 H ATOM 38559 H2 TIP3 1912 56.440 92.174 12.067 1.00 0.00 WT3 H ATOM 38560 OH2 TIP3 1914 87.822 61.969 -6.741 1.00 0.00 WT3 O ATOM 38561 H1 TIP3 1914 88.299 61.645 -5.977 1.00 0.00 WT3 H ATOM 38562 H2 TIP3 1914 88.500 62.129 -7.398 1.00 0.00 WT3 H ATOM 38563 OH2 TIP3 1915 52.991 6.807 64.922 1.00 0.00 WT3 O ATOM 38564 H1 TIP3 1915 53.898 6.514 65.013 1.00 0.00 WT3 H ATOM 38565 H2 TIP3 1915 52.544 6.446 65.688 1.00 0.00 WT3 H ATOM 38566 OH2 TIP3 1917 49.364 17.748 36.372 1.00 0.00 WT3 O ATOM 38567 H1 TIP3 1917 49.183 17.004 35.797 1.00 0.00 WT3 H ATOM 38568 H2 TIP3 1917 49.154 18.517 35.843 1.00 0.00 WT3 H ATOM 38569 OH2 TIP3 1919 88.283 38.609 39.081 1.00 0.00 WT3 O ATOM 38570 H1 TIP3 1919 87.585 39.199 39.365 1.00 0.00 WT3 H ATOM 38571 H2 TIP3 1919 87.989 37.740 39.355 1.00 0.00 WT3 H ATOM 38572 OH2 TIP3 1920 23.344 75.455 -10.776 1.00 0.00 WT3 O ATOM 38573 H1 TIP3 1920 24.040 76.092 -10.611 1.00 0.00 WT3 H ATOM 38574 H2 TIP3 1920 23.781 74.605 -10.725 1.00 0.00 WT3 H ATOM 38575 OH2 TIP3 1921 90.020 73.595 30.203 1.00 0.00 WT3 O ATOM 38576 H1 TIP3 1921 90.624 73.396 29.488 1.00 0.00 WT3 H ATOM 38577 H2 TIP3 1921 90.514 73.395 30.998 1.00 0.00 WT3 H ATOM 38578 OH2 TIP3 1922 25.438 69.717 41.465 1.00 0.00 WT3 O ATOM 38579 H1 TIP3 1922 24.987 68.944 41.127 1.00 0.00 WT3 H ATOM 38580 H2 TIP3 1922 25.348 69.652 42.415 1.00 0.00 WT3 H ATOM 38581 OH2 TIP3 1923 48.885 52.325 48.448 1.00 0.00 WT3 O ATOM 38582 H1 TIP3 1923 49.412 51.826 47.823 1.00 0.00 WT3 H ATOM 38583 H2 TIP3 1923 48.807 53.195 48.055 1.00 0.00 WT3 H ATOM 38584 OH2 TIP3 1925 23.292 56.811 4.678 1.00 0.00 WT3 O ATOM 38585 H1 TIP3 1925 24.160 56.819 4.272 1.00 0.00 WT3 H ATOM 38586 H2 TIP3 1925 23.461 56.958 5.608 1.00 0.00 WT3 H ATOM 38587 OH2 TIP3 1926 89.719 57.246 56.525 1.00 0.00 WT3 O ATOM 38588 H1 TIP3 1926 89.618 58.112 56.128 1.00 0.00 WT3 H ATOM 38589 H2 TIP3 1926 89.271 56.652 55.922 1.00 0.00 WT3 H ATOM 38590 OH2 TIP3 1927 22.696 28.888 44.066 1.00 0.00 WT3 O ATOM 38591 H1 TIP3 1927 21.850 28.948 43.622 1.00 0.00 WT3 H ATOM 38592 H2 TIP3 1927 22.540 28.297 44.802 1.00 0.00 WT3 H ATOM 38593 OH2 TIP3 1928 73.028 75.282 -2.271 1.00 0.00 WT3 O ATOM 38594 H1 TIP3 1928 72.879 74.538 -1.687 1.00 0.00 WT3 H ATOM 38595 H2 TIP3 1928 73.101 76.036 -1.685 1.00 0.00 WT3 H ATOM 38596 OH2 TIP3 1929 74.262 83.593 20.541 1.00 0.00 WT3 O ATOM 38597 H1 TIP3 1929 73.575 83.047 20.158 1.00 0.00 WT3 H ATOM 38598 H2 TIP3 1929 74.948 83.617 19.873 1.00 0.00 WT3 H ATOM 38599 OH2 TIP3 1930 29.317 96.386 57.558 1.00 0.00 WT3 O ATOM 38600 H1 TIP3 1930 29.643 96.664 56.702 1.00 0.00 WT3 H ATOM 38601 H2 TIP3 1930 29.862 96.856 58.187 1.00 0.00 WT3 H ATOM 38602 OH2 TIP3 1931 28.249 67.572 65.559 1.00 0.00 WT3 O ATOM 38603 H1 TIP3 1931 27.540 66.945 65.706 1.00 0.00 WT3 H ATOM 38604 H2 TIP3 1931 28.285 67.674 64.608 1.00 0.00 WT3 H ATOM 38605 OH2 TIP3 1932 60.047 47.128 -3.288 1.00 0.00 WT3 O ATOM 38606 H1 TIP3 1932 60.008 46.172 -3.260 1.00 0.00 WT3 H ATOM 38607 H2 TIP3 1932 59.176 47.412 -3.009 1.00 0.00 WT3 H ATOM 38608 OH2 TIP3 1935 76.251 27.162 -14.016 1.00 0.00 WT3 O ATOM 38609 H1 TIP3 1935 75.450 27.544 -14.374 1.00 0.00 WT3 H ATOM 38610 H2 TIP3 1935 76.097 27.124 -13.071 1.00 0.00 WT3 H ATOM 38611 OH2 TIP3 1936 78.940 82.457 -12.784 1.00 0.00 WT3 O ATOM 38612 H1 TIP3 1936 79.235 83.126 -12.166 1.00 0.00 WT3 H ATOM 38613 H2 TIP3 1936 78.536 81.785 -12.234 1.00 0.00 WT3 H ATOM 38614 OH2 TIP3 1937 39.355 95.850 44.757 1.00 0.00 WT3 O ATOM 38615 H1 TIP3 1937 40.131 95.625 45.269 1.00 0.00 WT3 H ATOM 38616 H2 TIP3 1937 39.642 96.564 44.186 1.00 0.00 WT3 H ATOM 38617 OH2 TIP3 1938 28.381 82.761 58.171 1.00 0.00 WT3 O ATOM 38618 H1 TIP3 1938 29.008 82.599 58.877 1.00 0.00 WT3 H ATOM 38619 H2 TIP3 1938 28.895 83.191 57.488 1.00 0.00 WT3 H ATOM 38620 OH2 TIP3 1940 55.987 3.099 55.727 1.00 0.00 WT3 O ATOM 38621 H1 TIP3 1940 55.063 3.314 55.854 1.00 0.00 WT3 H ATOM 38622 H2 TIP3 1940 56.020 2.144 55.782 1.00 0.00 WT3 H ATOM 38623 OH2 TIP3 1941 29.751 43.478 -14.528 1.00 0.00 WT3 O ATOM 38624 H1 TIP3 1941 30.110 43.455 -13.641 1.00 0.00 WT3 H ATOM 38625 H2 TIP3 1941 29.180 42.711 -14.575 1.00 0.00 WT3 H ATOM 38626 OH2 TIP3 1943 33.062 39.135 20.307 1.00 0.00 WT3 O ATOM 38627 H1 TIP3 1943 32.788 38.311 20.711 1.00 0.00 WT3 H ATOM 38628 H2 TIP3 1943 32.316 39.722 20.431 1.00 0.00 WT3 H ATOM 38629 OH2 TIP3 1944 88.037 95.006 11.202 1.00 0.00 WT3 O ATOM 38630 H1 TIP3 1944 87.125 94.943 10.918 1.00 0.00 WT3 H ATOM 38631 H2 TIP3 1944 88.385 94.122 11.088 1.00 0.00 WT3 H ATOM 38632 OH2 TIP3 1945 30.966 76.656 11.088 1.00 0.00 WT3 O ATOM 38633 H1 TIP3 1945 30.035 76.562 10.884 1.00 0.00 WT3 H ATOM 38634 H2 TIP3 1945 31.070 77.580 11.313 1.00 0.00 WT3 H ATOM 38635 OH2 TIP3 1947 32.554 41.869 45.274 1.00 0.00 WT3 O ATOM 38636 H1 TIP3 1947 32.524 41.488 46.151 1.00 0.00 WT3 H ATOM 38637 H2 TIP3 1947 31.811 41.476 44.816 1.00 0.00 WT3 H ATOM 38638 OH2 TIP3 1948 59.315 88.214 22.713 1.00 0.00 WT3 O ATOM 38639 H1 TIP3 1948 60.185 88.521 22.968 1.00 0.00 WT3 H ATOM 38640 H2 TIP3 1948 59.292 87.299 22.994 1.00 0.00 WT3 H ATOM 38641 OH2 TIP3 1949 23.879 52.090 17.916 1.00 0.00 WT3 O ATOM 38642 H1 TIP3 1949 24.474 51.539 18.424 1.00 0.00 WT3 H ATOM 38643 H2 TIP3 1949 24.380 52.329 17.135 1.00 0.00 WT3 H ATOM 38644 OH2 TIP3 1950 24.077 80.772 53.480 1.00 0.00 WT3 O ATOM 38645 H1 TIP3 1950 23.890 80.552 54.393 1.00 0.00 WT3 H ATOM 38646 H2 TIP3 1950 23.990 81.724 53.440 1.00 0.00 WT3 H ATOM 38647 OH2 TIP3 1951 87.163 82.182 58.446 1.00 0.00 WT3 O ATOM 38648 H1 TIP3 1951 87.244 82.456 57.533 1.00 0.00 WT3 H ATOM 38649 H2 TIP3 1951 87.611 82.866 58.943 1.00 0.00 WT3 H ATOM 38650 OH2 TIP3 1952 21.114 81.578 -8.902 1.00 0.00 WT3 O ATOM 38651 H1 TIP3 1952 21.906 81.049 -8.808 1.00 0.00 WT3 H ATOM 38652 H2 TIP3 1952 21.148 82.194 -8.170 1.00 0.00 WT3 H ATOM 38653 OH2 TIP3 1954 23.917 89.876 64.660 1.00 0.00 WT3 O ATOM 38654 H1 TIP3 1954 23.164 89.973 65.243 1.00 0.00 WT3 H ATOM 38655 H2 TIP3 1954 23.560 90.006 63.782 1.00 0.00 WT3 H ATOM 38656 OH2 TIP3 1955 65.663 91.123 62.548 1.00 0.00 WT3 O ATOM 38657 H1 TIP3 1955 64.730 90.912 62.558 1.00 0.00 WT3 H ATOM 38658 H2 TIP3 1955 65.752 91.788 61.864 1.00 0.00 WT3 H ATOM 38659 OH2 TIP3 1956 28.866 27.465 59.442 1.00 0.00 WT3 O ATOM 38660 H1 TIP3 1956 28.247 28.025 59.911 1.00 0.00 WT3 H ATOM 38661 H2 TIP3 1956 29.725 27.731 59.769 1.00 0.00 WT3 H ATOM 38662 OH2 TIP3 1957 27.896 93.065 53.503 1.00 0.00 WT3 O ATOM 38663 H1 TIP3 1957 28.215 92.296 53.975 1.00 0.00 WT3 H ATOM 38664 H2 TIP3 1957 27.071 93.286 53.933 1.00 0.00 WT3 H ATOM 38665 OH2 TIP3 1958 41.506 35.126 45.979 1.00 0.00 WT3 O ATOM 38666 H1 TIP3 1958 42.091 34.398 45.767 1.00 0.00 WT3 H ATOM 38667 H2 TIP3 1958 40.752 35.004 45.402 1.00 0.00 WT3 H ATOM 38668 OH2 TIP3 1960 64.162 80.375 65.683 1.00 0.00 WT3 O ATOM 38669 H1 TIP3 1960 64.682 79.726 66.156 1.00 0.00 WT3 H ATOM 38670 H2 TIP3 1960 63.440 80.583 66.276 1.00 0.00 WT3 H ATOM 38671 OH2 TIP3 1961 66.842 13.396 25.118 1.00 0.00 WT3 O ATOM 38672 H1 TIP3 1961 66.890 12.629 25.689 1.00 0.00 WT3 H ATOM 38673 H2 TIP3 1961 65.981 13.774 25.296 1.00 0.00 WT3 H ATOM 38674 OH2 TIP3 1962 34.323 20.089 29.859 1.00 0.00 WT3 O ATOM 38675 H1 TIP3 1962 33.714 20.512 30.465 1.00 0.00 WT3 H ATOM 38676 H2 TIP3 1962 34.003 20.331 28.990 1.00 0.00 WT3 H ATOM 38677 OH2 TIP3 1965 64.802 9.093 7.543 1.00 0.00 WT3 O ATOM 38678 H1 TIP3 1965 64.394 9.900 7.858 1.00 0.00 WT3 H ATOM 38679 H2 TIP3 1965 65.729 9.313 7.452 1.00 0.00 WT3 H ATOM 38680 OH2 TIP3 1966 82.600 80.865 2.071 1.00 0.00 WT3 O ATOM 38681 H1 TIP3 1966 82.502 81.795 1.866 1.00 0.00 WT3 H ATOM 38682 H2 TIP3 1966 81.910 80.686 2.710 1.00 0.00 WT3 H ATOM 38683 OH2 TIP3 1967 86.573 80.674 26.690 1.00 0.00 WT3 O ATOM 38684 H1 TIP3 1967 86.157 79.918 27.104 1.00 0.00 WT3 H ATOM 38685 H2 TIP3 1967 86.442 81.390 27.312 1.00 0.00 WT3 H ATOM 38686 OH2 TIP3 1969 28.060 57.696 -2.581 1.00 0.00 WT3 O ATOM 38687 H1 TIP3 1969 27.560 58.303 -2.036 1.00 0.00 WT3 H ATOM 38688 H2 TIP3 1969 28.620 58.259 -3.116 1.00 0.00 WT3 H ATOM 38689 OH2 TIP3 1970 36.418 93.438 2.310 1.00 0.00 WT3 O ATOM 38690 H1 TIP3 1970 35.741 93.015 2.838 1.00 0.00 WT3 H ATOM 38691 H2 TIP3 1970 36.654 94.222 2.806 1.00 0.00 WT3 H ATOM 38692 OH2 TIP3 1971 60.767 55.737 31.826 1.00 0.00 WT3 O ATOM 38693 H1 TIP3 1971 60.335 56.558 31.593 1.00 0.00 WT3 H ATOM 38694 H2 TIP3 1971 60.152 55.056 31.553 1.00 0.00 WT3 H ATOM 38695 OH2 TIP3 1973 87.199 90.531 31.251 1.00 0.00 WT3 O ATOM 38696 H1 TIP3 1973 86.920 90.082 30.453 1.00 0.00 WT3 H ATOM 38697 H2 TIP3 1973 87.133 91.462 31.039 1.00 0.00 WT3 H ATOM 38698 OH2 TIP3 1974 23.377 74.509 -2.178 1.00 0.00 WT3 O ATOM 38699 H1 TIP3 1974 23.327 75.454 -2.321 1.00 0.00 WT3 H ATOM 38700 H2 TIP3 1974 24.017 74.202 -2.820 1.00 0.00 WT3 H ATOM 38701 OH2 TIP3 1977 22.083 17.400 -0.434 1.00 0.00 WT3 O ATOM 38702 H1 TIP3 1977 21.657 17.227 -1.273 1.00 0.00 WT3 H ATOM 38703 H2 TIP3 1977 22.126 18.355 -0.380 1.00 0.00 WT3 H ATOM 38704 OH2 TIP3 1982 61.075 16.173 38.653 1.00 0.00 WT3 O ATOM 38705 H1 TIP3 1982 62.025 16.079 38.593 1.00 0.00 WT3 H ATOM 38706 H2 TIP3 1982 60.768 16.094 37.750 1.00 0.00 WT3 H ATOM 38707 OH2 TIP3 1983 52.533 76.032 0.134 1.00 0.00 WT3 O ATOM 38708 H1 TIP3 1983 52.853 75.458 0.831 1.00 0.00 WT3 H ATOM 38709 H2 TIP3 1983 53.030 76.843 0.244 1.00 0.00 WT3 H ATOM 38710 OH2 TIP3 1987 21.366 61.499 -18.437 1.00 0.00 WT3 O ATOM 38711 H1 TIP3 1987 20.999 62.376 -18.318 1.00 0.00 WT3 H ATOM 38712 H2 TIP3 1987 21.162 61.041 -17.622 1.00 0.00 WT3 H ATOM 38713 OH2 TIP3 1988 38.456 95.701 33.127 1.00 0.00 WT3 O ATOM 38714 H1 TIP3 1988 38.903 96.361 33.658 1.00 0.00 WT3 H ATOM 38715 H2 TIP3 1988 37.942 95.195 33.755 1.00 0.00 WT3 H ATOM 38716 OH2 TIP3 1991 22.687 88.455 40.625 1.00 0.00 WT3 O ATOM 38717 H1 TIP3 1991 22.456 87.559 40.872 1.00 0.00 WT3 H ATOM 38718 H2 TIP3 1991 22.525 88.494 39.683 1.00 0.00 WT3 H ATOM 38719 OH2 TIP3 1993 72.278 1.153 -6.255 1.00 0.00 WT3 O ATOM 38720 H1 TIP3 1993 72.277 1.931 -6.812 1.00 0.00 WT3 H ATOM 38721 H2 TIP3 1993 71.394 0.797 -6.339 1.00 0.00 WT3 H ATOM 38722 OH2 TIP3 1994 21.594 72.805 -0.891 1.00 0.00 WT3 O ATOM 38723 H1 TIP3 1994 21.798 73.193 -0.040 1.00 0.00 WT3 H ATOM 38724 H2 TIP3 1994 22.271 73.142 -1.478 1.00 0.00 WT3 H ATOM 38725 OH2 TIP3 1995 30.022 38.188 5.196 1.00 0.00 WT3 O ATOM 38726 H1 TIP3 1995 30.000 37.717 6.028 1.00 0.00 WT3 H ATOM 38727 H2 TIP3 1995 29.579 39.017 5.378 1.00 0.00 WT3 H ATOM 38728 OH2 TIP3 1997 69.303 28.867 45.226 1.00 0.00 WT3 O ATOM 38729 H1 TIP3 1997 69.668 28.023 45.493 1.00 0.00 WT3 H ATOM 38730 H2 TIP3 1997 69.927 29.207 44.585 1.00 0.00 WT3 H ATOM 38731 OH2 TIP3 2002 49.742 67.568 -8.636 1.00 0.00 WT3 O ATOM 38732 H1 TIP3 2002 50.222 66.823 -8.274 1.00 0.00 WT3 H ATOM 38733 H2 TIP3 2002 49.234 67.906 -7.898 1.00 0.00 WT3 H ATOM 38734 OH2 TIP3 2003 34.583 26.097 40.923 1.00 0.00 WT3 O ATOM 38735 H1 TIP3 2003 35.046 25.425 40.423 1.00 0.00 WT3 H ATOM 38736 H2 TIP3 2003 33.813 26.303 40.393 1.00 0.00 WT3 H ATOM 38737 OH2 TIP3 2008 67.805 69.324 25.411 1.00 0.00 WT3 O ATOM 38738 H1 TIP3 2008 68.598 69.690 25.020 1.00 0.00 WT3 H ATOM 38739 H2 TIP3 2008 67.746 68.439 25.049 1.00 0.00 WT3 H ATOM 38740 OH2 TIP3 2009 72.994 10.089 44.730 1.00 0.00 WT3 O ATOM 38741 H1 TIP3 2009 72.961 9.439 44.028 1.00 0.00 WT3 H ATOM 38742 H2 TIP3 2009 72.077 10.242 44.958 1.00 0.00 WT3 H ATOM 38743 OH2 TIP3 2012 85.924 6.132 47.285 1.00 0.00 WT3 O ATOM 38744 H1 TIP3 2012 86.570 6.297 47.971 1.00 0.00 WT3 H ATOM 38745 H2 TIP3 2012 85.988 6.892 46.707 1.00 0.00 WT3 H ATOM 38746 OH2 TIP3 2020 35.246 50.267 -19.133 1.00 0.00 WT3 O ATOM 38747 H1 TIP3 2020 34.631 49.607 -18.811 1.00 0.00 WT3 H ATOM 38748 H2 TIP3 2020 36.032 49.772 -19.361 1.00 0.00 WT3 H ATOM 38749 OH2 TIP3 2021 24.623 61.126 53.243 1.00 0.00 WT3 O ATOM 38750 H1 TIP3 2021 25.019 61.822 53.768 1.00 0.00 WT3 H ATOM 38751 H2 TIP3 2021 23.749 61.453 53.030 1.00 0.00 WT3 H ATOM 38752 OH2 TIP3 2028 43.155 4.749 51.094 1.00 0.00 WT3 O ATOM 38753 H1 TIP3 2028 42.607 5.046 50.367 1.00 0.00 WT3 H ATOM 38754 H2 TIP3 2028 43.470 3.887 50.820 1.00 0.00 WT3 H ATOM 38755 OH2 TIP3 2035 63.659 68.605 45.578 1.00 0.00 WT3 O ATOM 38756 H1 TIP3 2035 63.889 68.917 44.703 1.00 0.00 WT3 H ATOM 38757 H2 TIP3 2035 62.987 67.940 45.428 1.00 0.00 WT3 H ATOM 38758 OH2 TIP3 2049 76.508 88.956 49.080 1.00 0.00 WT3 O ATOM 38759 H1 TIP3 2049 75.552 88.902 49.072 1.00 0.00 WT3 H ATOM 38760 H2 TIP3 2049 76.754 88.718 49.974 1.00 0.00 WT3 H ATOM 38761 OH2 TIP3 2105 89.458 0.339 31.493 1.00 0.00 WT3 O ATOM 38762 H1 TIP3 2105 89.192 -0.508 31.852 1.00 0.00 WT3 H ATOM 38763 H2 TIP3 2105 89.087 0.983 32.097 1.00 0.00 WT3 H ATOM 38764 OH2 TIP3 2123 83.898 81.138 12.646 1.00 0.00 WT3 O ATOM 38765 H1 TIP3 2123 84.183 81.965 12.257 1.00 0.00 WT3 H ATOM 38766 H2 TIP3 2123 83.832 81.324 13.583 1.00 0.00 WT3 H ATOM 38767 OH2 TIP3 2127 54.288 65.415 -7.923 1.00 0.00 WT3 O ATOM 38768 H1 TIP3 2127 55.138 65.821 -7.753 1.00 0.00 WT3 H ATOM 38769 H2 TIP3 2127 54.275 64.640 -7.363 1.00 0.00 WT3 H ATOM 38770 OH2 TIP3 2133 70.985 17.171 40.292 1.00 0.00 WT3 O ATOM 38771 H1 TIP3 2133 70.062 17.425 40.261 1.00 0.00 WT3 H ATOM 38772 H2 TIP3 2133 71.137 16.718 39.463 1.00 0.00 WT3 H ATOM 38773 OH2 TIP3 2145 28.573 85.463 4.263 1.00 0.00 WT3 O ATOM 38774 H1 TIP3 2145 28.948 85.722 3.421 1.00 0.00 WT3 H ATOM 38775 H2 TIP3 2145 29.133 85.885 4.915 1.00 0.00 WT3 H ATOM 38776 OH2 TIP3 2147 28.487 75.829 -7.652 1.00 0.00 WT3 O ATOM 38777 H1 TIP3 2147 28.281 75.712 -8.579 1.00 0.00 WT3 H ATOM 38778 H2 TIP3 2147 28.084 75.075 -7.220 1.00 0.00 WT3 H ATOM 38779 OH2 TIP3 2151 25.507 86.883 65.523 1.00 0.00 WT3 O ATOM 38780 H1 TIP3 2151 25.999 86.966 66.340 1.00 0.00 WT3 H ATOM 38781 H2 TIP3 2151 24.618 86.659 65.800 1.00 0.00 WT3 H ATOM 38782 OH2 TIP3 2163 59.992 35.295 45.298 1.00 0.00 WT3 O ATOM 38783 H1 TIP3 2163 59.279 35.913 45.137 1.00 0.00 WT3 H ATOM 38784 H2 TIP3 2163 59.762 34.523 44.781 1.00 0.00 WT3 H ATOM 38785 OH2 TIP3 2165 58.518 22.708 60.008 1.00 0.00 WT3 O ATOM 38786 H1 TIP3 2165 58.930 21.845 59.974 1.00 0.00 WT3 H ATOM 38787 H2 TIP3 2165 58.849 23.101 60.816 1.00 0.00 WT3 H ATOM 38788 OH2 TIP3 2167 37.300 95.041 -1.940 1.00 0.00 WT3 O ATOM 38789 H1 TIP3 2167 36.952 95.025 -2.831 1.00 0.00 WT3 H ATOM 38790 H2 TIP3 2167 37.975 94.362 -1.934 1.00 0.00 WT3 H ATOM 38791 OH2 TIP3 2172 30.620 8.749 5.696 1.00 0.00 WT3 O ATOM 38792 H1 TIP3 2172 30.213 9.539 5.340 1.00 0.00 WT3 H ATOM 38793 H2 TIP3 2172 31.345 9.073 6.230 1.00 0.00 WT3 H ATOM 38794 OH2 TIP3 2180 54.712 23.826 29.861 1.00 0.00 WT3 O ATOM 38795 H1 TIP3 2180 53.921 24.090 30.330 1.00 0.00 WT3 H ATOM 38796 H2 TIP3 2180 54.577 24.140 28.967 1.00 0.00 WT3 H ATOM 38797 OH2 TIP3 2184 42.257 24.821 49.249 1.00 0.00 WT3 O ATOM 38798 H1 TIP3 2184 42.737 24.801 48.422 1.00 0.00 WT3 H ATOM 38799 H2 TIP3 2184 41.498 25.377 49.073 1.00 0.00 WT3 H ATOM 38800 OH2 TIP3 2185 61.276 64.723 44.042 1.00 0.00 WT3 O ATOM 38801 H1 TIP3 2185 61.122 65.444 44.652 1.00 0.00 WT3 H ATOM 38802 H2 TIP3 2185 60.457 64.644 43.552 1.00 0.00 WT3 H ATOM 38803 OH2 TIP3 2186 27.039 71.113 55.260 1.00 0.00 WT3 O ATOM 38804 H1 TIP3 2186 26.462 71.811 54.950 1.00 0.00 WT3 H ATOM 38805 H2 TIP3 2186 27.921 71.415 55.042 1.00 0.00 WT3 H ATOM 38806 OH2 TIP3 2187 32.881 73.077 12.692 1.00 0.00 WT3 O ATOM 38807 H1 TIP3 2187 33.254 72.376 12.158 1.00 0.00 WT3 H ATOM 38808 H2 TIP3 2187 32.027 72.743 12.965 1.00 0.00 WT3 H ATOM 38809 OH2 TIP3 2197 22.309 42.280 53.500 1.00 0.00 WT3 O ATOM 38810 H1 TIP3 2197 23.155 42.724 53.436 1.00 0.00 WT3 H ATOM 38811 H2 TIP3 2197 21.771 42.865 54.034 1.00 0.00 WT3 H ATOM 38812 OH2 TIP3 2198 38.843 54.214 -15.777 1.00 0.00 WT3 O ATOM 38813 H1 TIP3 2198 38.955 54.394 -14.843 1.00 0.00 WT3 H ATOM 38814 H2 TIP3 2198 38.997 53.273 -15.860 1.00 0.00 WT3 H ATOM 38815 OH2 TIP3 2200 41.886 81.344 35.590 1.00 0.00 WT3 O ATOM 38816 H1 TIP3 2200 42.256 80.787 34.905 1.00 0.00 WT3 H ATOM 38817 H2 TIP3 2200 41.559 82.113 35.123 1.00 0.00 WT3 H ATOM 38818 OH2 TIP3 2201 46.401 87.553 59.125 1.00 0.00 WT3 O ATOM 38819 H1 TIP3 2201 47.025 87.018 59.616 1.00 0.00 WT3 H ATOM 38820 H2 TIP3 2201 46.365 88.381 59.604 1.00 0.00 WT3 H ATOM 38821 OH2 TIP3 2203 79.305 96.316 26.851 1.00 0.00 WT3 O ATOM 38822 H1 TIP3 2203 78.409 96.006 26.982 1.00 0.00 WT3 H ATOM 38823 H2 TIP3 2203 79.372 97.097 27.401 1.00 0.00 WT3 H ATOM 38824 OH2 TIP3 2208 23.968 94.395 61.901 1.00 0.00 WT3 O ATOM 38825 H1 TIP3 2208 24.242 95.193 61.449 1.00 0.00 WT3 H ATOM 38826 H2 TIP3 2208 24.207 94.543 62.816 1.00 0.00 WT3 H ATOM 38827 OH2 TIP3 2211 76.595 77.611 55.188 1.00 0.00 WT3 O ATOM 38828 H1 TIP3 2211 77.393 77.246 54.806 1.00 0.00 WT3 H ATOM 38829 H2 TIP3 2211 75.930 77.495 54.510 1.00 0.00 WT3 H ATOM 38830 OH2 TIP3 2212 77.246 27.559 67.566 1.00 0.00 WT3 O ATOM 38831 H1 TIP3 2212 77.995 28.122 67.367 1.00 0.00 WT3 H ATOM 38832 H2 TIP3 2212 76.799 27.449 66.727 1.00 0.00 WT3 H ATOM 38833 OH2 TIP3 2213 54.903 15.101 66.030 1.00 0.00 WT3 O ATOM 38834 H1 TIP3 2213 54.667 15.783 66.659 1.00 0.00 WT3 H ATOM 38835 H2 TIP3 2213 54.432 15.338 65.231 1.00 0.00 WT3 H ATOM 38836 OH2 TIP3 2217 78.682 74.678 1.761 1.00 0.00 WT3 O ATOM 38837 H1 TIP3 2217 77.862 74.978 2.154 1.00 0.00 WT3 H ATOM 38838 H2 TIP3 2217 78.436 73.903 1.256 1.00 0.00 WT3 H ATOM 38839 OH2 TIP3 2219 71.620 37.730 27.596 1.00 0.00 WT3 O ATOM 38840 H1 TIP3 2219 71.165 37.068 27.077 1.00 0.00 WT3 H ATOM 38841 H2 TIP3 2219 71.317 37.582 28.492 1.00 0.00 WT3 H ATOM 38842 OH2 TIP3 2227 84.036 85.868 -0.011 1.00 0.00 WT3 O ATOM 38843 H1 TIP3 2227 83.644 86.732 0.114 1.00 0.00 WT3 H ATOM 38844 H2 TIP3 2227 83.370 85.255 0.300 1.00 0.00 WT3 H ATOM 38845 OH2 TIP3 2229 65.953 20.127 -3.099 1.00 0.00 WT3 O ATOM 38846 H1 TIP3 2229 65.970 19.824 -2.191 1.00 0.00 WT3 H ATOM 38847 H2 TIP3 2229 66.787 20.581 -3.217 1.00 0.00 WT3 H ATOM 38848 OH2 TIP3 2231 71.784 0.461 49.615 1.00 0.00 WT3 O ATOM 38849 H1 TIP3 2231 70.905 0.089 49.546 1.00 0.00 WT3 H ATOM 38850 H2 TIP3 2231 72.367 -0.298 49.607 1.00 0.00 WT3 H ATOM 38851 OH2 TIP3 2232 30.580 83.058 37.219 1.00 0.00 WT3 O ATOM 38852 H1 TIP3 2232 30.309 82.209 37.568 1.00 0.00 WT3 H ATOM 38853 H2 TIP3 2232 31.303 83.330 37.784 1.00 0.00 WT3 H ATOM 38854 OH2 TIP3 2234 44.935 13.253 8.845 1.00 0.00 WT3 O ATOM 38855 H1 TIP3 2234 45.432 13.044 9.636 1.00 0.00 WT3 H ATOM 38856 H2 TIP3 2234 44.423 14.027 9.081 1.00 0.00 WT3 H ATOM 38857 OH2 TIP3 2236 38.128 96.211 26.111 1.00 0.00 WT3 O ATOM 38858 H1 TIP3 2236 38.957 96.654 26.294 1.00 0.00 WT3 H ATOM 38859 H2 TIP3 2236 37.529 96.917 25.867 1.00 0.00 WT3 H ATOM 38860 OH2 TIP3 2238 42.437 9.478 -7.320 1.00 0.00 WT3 O ATOM 38861 H1 TIP3 2238 41.946 10.130 -6.820 1.00 0.00 WT3 H ATOM 38862 H2 TIP3 2238 42.266 9.698 -8.235 1.00 0.00 WT3 H ATOM 38863 OH2 TIP3 2240 27.927 42.273 25.977 1.00 0.00 WT3 O ATOM 38864 H1 TIP3 2240 27.974 43.007 25.366 1.00 0.00 WT3 H ATOM 38865 H2 TIP3 2240 28.763 42.294 26.443 1.00 0.00 WT3 H ATOM 38866 OH2 TIP3 2241 30.322 34.990 -6.250 1.00 0.00 WT3 O ATOM 38867 H1 TIP3 2241 30.313 35.931 -6.430 1.00 0.00 WT3 H ATOM 38868 H2 TIP3 2241 30.320 34.581 -7.116 1.00 0.00 WT3 H ATOM 38869 OH2 TIP3 2242 30.317 72.857 14.385 1.00 0.00 WT3 O ATOM 38870 H1 TIP3 2242 30.366 71.979 14.765 1.00 0.00 WT3 H ATOM 38871 H2 TIP3 2242 30.639 73.436 15.076 1.00 0.00 WT3 H ATOM 38872 OH2 TIP3 2244 80.113 55.699 54.687 1.00 0.00 WT3 O ATOM 38873 H1 TIP3 2244 80.589 54.990 55.120 1.00 0.00 WT3 H ATOM 38874 H2 TIP3 2244 79.369 55.267 54.267 1.00 0.00 WT3 H ATOM 38875 OH2 TIP3 2247 51.576 88.907 32.238 1.00 0.00 WT3 O ATOM 38876 H1 TIP3 2247 51.420 88.878 33.182 1.00 0.00 WT3 H ATOM 38877 H2 TIP3 2247 51.304 88.045 31.923 1.00 0.00 WT3 H ATOM 38878 OH2 TIP3 2248 42.420 88.925 61.129 1.00 0.00 WT3 O ATOM 38879 H1 TIP3 2248 43.320 88.674 61.339 1.00 0.00 WT3 H ATOM 38880 H2 TIP3 2248 41.880 88.260 61.556 1.00 0.00 WT3 H ATOM 38881 OH2 TIP3 2249 33.735 53.966 30.307 1.00 0.00 WT3 O ATOM 38882 H1 TIP3 2249 34.549 53.780 29.838 1.00 0.00 WT3 H ATOM 38883 H2 TIP3 2249 33.536 54.877 30.092 1.00 0.00 WT3 H ATOM 38884 OH2 TIP3 2250 59.957 58.552 19.372 1.00 0.00 WT3 O ATOM 38885 H1 TIP3 2250 59.700 58.326 18.478 1.00 0.00 WT3 H ATOM 38886 H2 TIP3 2250 59.986 59.509 19.377 1.00 0.00 WT3 H ATOM 38887 OH2 TIP3 2251 60.180 28.527 -11.355 1.00 0.00 WT3 O ATOM 38888 H1 TIP3 2251 59.483 28.382 -11.994 1.00 0.00 WT3 H ATOM 38889 H2 TIP3 2251 59.720 28.677 -10.528 1.00 0.00 WT3 H ATOM 38890 OH2 TIP3 2253 23.381 1.119 -0.355 1.00 0.00 WT3 O ATOM 38891 H1 TIP3 2253 22.920 1.752 0.195 1.00 0.00 WT3 H ATOM 38892 H2 TIP3 2253 23.218 0.274 0.063 1.00 0.00 WT3 H ATOM 38893 OH2 TIP3 2254 83.092 94.140 -8.913 1.00 0.00 WT3 O ATOM 38894 H1 TIP3 2254 82.356 93.603 -8.619 1.00 0.00 WT3 H ATOM 38895 H2 TIP3 2254 83.338 94.652 -8.142 1.00 0.00 WT3 H ATOM 38896 OH2 TIP3 2256 86.775 12.758 -7.515 1.00 0.00 WT3 O ATOM 38897 H1 TIP3 2256 86.353 12.299 -8.241 1.00 0.00 WT3 H ATOM 38898 H2 TIP3 2256 87.007 13.614 -7.876 1.00 0.00 WT3 H ATOM 38899 OH2 TIP3 2257 36.865 62.683 57.656 1.00 0.00 WT3 O ATOM 38900 H1 TIP3 2257 36.562 63.491 58.071 1.00 0.00 WT3 H ATOM 38901 H2 TIP3 2257 37.802 62.650 57.852 1.00 0.00 WT3 H ATOM 38902 OH2 TIP3 2260 49.985 92.318 41.514 1.00 0.00 WT3 O ATOM 38903 H1 TIP3 2260 50.081 91.373 41.393 1.00 0.00 WT3 H ATOM 38904 H2 TIP3 2260 49.891 92.665 40.627 1.00 0.00 WT3 H ATOM 38905 OH2 TIP3 2261 69.875 88.827 26.770 1.00 0.00 WT3 O ATOM 38906 H1 TIP3 2261 70.508 88.187 26.444 1.00 0.00 WT3 H ATOM 38907 H2 TIP3 2261 69.174 88.298 27.151 1.00 0.00 WT3 H ATOM 38908 OH2 TIP3 2263 21.768 56.233 46.053 1.00 0.00 WT3 O ATOM 38909 H1 TIP3 2263 22.144 57.082 45.820 1.00 0.00 WT3 H ATOM 38910 H2 TIP3 2263 21.980 56.123 46.980 1.00 0.00 WT3 H ATOM 38911 OH2 TIP3 2264 58.719 57.372 40.909 1.00 0.00 WT3 O ATOM 38912 H1 TIP3 2264 58.397 57.440 40.010 1.00 0.00 WT3 H ATOM 38913 H2 TIP3 2264 58.230 56.641 41.285 1.00 0.00 WT3 H ATOM 38914 OH2 TIP3 2265 49.228 51.161 33.664 1.00 0.00 WT3 O ATOM 38915 H1 TIP3 2265 48.699 51.958 33.679 1.00 0.00 WT3 H ATOM 38916 H2 TIP3 2265 48.659 50.502 33.267 1.00 0.00 WT3 H ATOM 38917 OH2 TIP3 2268 82.273 13.826 42.021 1.00 0.00 WT3 O ATOM 38918 H1 TIP3 2268 82.382 12.940 42.368 1.00 0.00 WT3 H ATOM 38919 H2 TIP3 2268 81.980 13.696 41.119 1.00 0.00 WT3 H ATOM 38920 OH2 TIP3 2269 20.786 87.633 63.292 1.00 0.00 WT3 O ATOM 38921 H1 TIP3 2269 21.721 87.591 63.090 1.00 0.00 WT3 H ATOM 38922 H2 TIP3 2269 20.698 88.395 63.864 1.00 0.00 WT3 H ATOM 38923 OH2 TIP3 2270 82.076 93.792 -6.153 1.00 0.00 WT3 O ATOM 38924 H1 TIP3 2270 82.642 94.557 -6.255 1.00 0.00 WT3 H ATOM 38925 H2 TIP3 2270 81.187 94.137 -6.242 1.00 0.00 WT3 H ATOM 38926 OH2 TIP3 2271 84.382 16.118 -6.799 1.00 0.00 WT3 O ATOM 38927 H1 TIP3 2271 84.349 17.018 -6.477 1.00 0.00 WT3 H ATOM 38928 H2 TIP3 2271 84.358 16.203 -7.752 1.00 0.00 WT3 H ATOM 38929 OH2 TIP3 2272 23.411 76.776 -15.156 1.00 0.00 WT3 O ATOM 38930 H1 TIP3 2272 22.852 76.379 -14.487 1.00 0.00 WT3 H ATOM 38931 H2 TIP3 2272 24.241 76.940 -14.709 1.00 0.00 WT3 H ATOM 38932 OH2 TIP3 2273 77.367 17.258 -4.666 1.00 0.00 WT3 O ATOM 38933 H1 TIP3 2273 77.615 16.340 -4.552 1.00 0.00 WT3 H ATOM 38934 H2 TIP3 2273 76.441 17.228 -4.907 1.00 0.00 WT3 H ATOM 38935 OH2 TIP3 2274 79.564 47.665 17.801 1.00 0.00 WT3 O ATOM 38936 H1 TIP3 2274 79.192 47.413 18.646 1.00 0.00 WT3 H ATOM 38937 H2 TIP3 2274 78.817 47.987 17.296 1.00 0.00 WT3 H ATOM 38938 OH2 TIP3 2275 47.061 92.427 37.177 1.00 0.00 WT3 O ATOM 38939 H1 TIP3 2275 46.175 92.760 37.315 1.00 0.00 WT3 H ATOM 38940 H2 TIP3 2275 46.998 91.899 36.381 1.00 0.00 WT3 H ATOM 38941 OH2 TIP3 2277 44.304 80.107 1.566 1.00 0.00 WT3 O ATOM 38942 H1 TIP3 2277 43.980 79.713 0.756 1.00 0.00 WT3 H ATOM 38943 H2 TIP3 2277 45.249 80.184 1.435 1.00 0.00 WT3 H ATOM 38944 OH2 TIP3 2279 35.448 82.858 31.256 1.00 0.00 WT3 O ATOM 38945 H1 TIP3 2279 35.321 82.576 32.162 1.00 0.00 WT3 H ATOM 38946 H2 TIP3 2279 34.663 82.558 30.799 1.00 0.00 WT3 H ATOM 38947 OH2 TIP3 2280 62.367 62.929 -6.238 1.00 0.00 WT3 O ATOM 38948 H1 TIP3 2280 62.557 62.907 -5.300 1.00 0.00 WT3 H ATOM 38949 H2 TIP3 2280 62.654 62.074 -6.560 1.00 0.00 WT3 H ATOM 38950 OH2 TIP3 2281 28.760 85.236 36.908 1.00 0.00 WT3 O ATOM 38951 H1 TIP3 2281 29.140 85.588 36.103 1.00 0.00 WT3 H ATOM 38952 H2 TIP3 2281 29.502 85.149 37.506 1.00 0.00 WT3 H ATOM 38953 OH2 TIP3 2282 68.784 42.894 27.147 1.00 0.00 WT3 O ATOM 38954 H1 TIP3 2282 68.364 42.942 28.005 1.00 0.00 WT3 H ATOM 38955 H2 TIP3 2282 68.077 43.056 26.523 1.00 0.00 WT3 H ATOM 38956 OH2 TIP3 2283 62.883 8.082 59.403 1.00 0.00 WT3 O ATOM 38957 H1 TIP3 2283 62.731 9.020 59.518 1.00 0.00 WT3 H ATOM 38958 H2 TIP3 2283 63.394 7.826 60.171 1.00 0.00 WT3 H ATOM 38959 OH2 TIP3 2284 55.126 87.188 -5.559 1.00 0.00 WT3 O ATOM 38960 H1 TIP3 2284 54.947 88.018 -6.000 1.00 0.00 WT3 H ATOM 38961 H2 TIP3 2284 54.518 86.566 -5.960 1.00 0.00 WT3 H ATOM 38962 OH2 TIP3 2286 60.038 29.101 31.232 1.00 0.00 WT3 O ATOM 38963 H1 TIP3 2286 59.567 29.670 31.842 1.00 0.00 WT3 H ATOM 38964 H2 TIP3 2286 60.882 28.944 31.655 1.00 0.00 WT3 H ATOM 38965 OH2 TIP3 2287 22.794 11.887 58.023 1.00 0.00 WT3 O ATOM 38966 H1 TIP3 2287 23.651 11.941 58.445 1.00 0.00 WT3 H ATOM 38967 H2 TIP3 2287 22.282 12.586 58.429 1.00 0.00 WT3 H ATOM 38968 OH2 TIP3 2288 89.006 12.976 51.795 1.00 0.00 WT3 O ATOM 38969 H1 TIP3 2288 89.430 13.799 52.039 1.00 0.00 WT3 H ATOM 38970 H2 TIP3 2288 88.595 12.669 52.603 1.00 0.00 WT3 H ATOM 38971 OH2 TIP3 2289 25.318 63.571 34.380 1.00 0.00 WT3 O ATOM 38972 H1 TIP3 2289 24.868 64.301 33.955 1.00 0.00 WT3 H ATOM 38973 H2 TIP3 2289 25.646 63.037 33.657 1.00 0.00 WT3 H ATOM 38974 OH2 TIP3 2291 45.963 78.241 27.142 1.00 0.00 WT3 O ATOM 38975 H1 TIP3 2291 46.723 77.706 26.911 1.00 0.00 WT3 H ATOM 38976 H2 TIP3 2291 46.222 78.690 27.947 1.00 0.00 WT3 H ATOM 38977 OH2 TIP3 2292 33.716 63.736 -18.105 1.00 0.00 WT3 O ATOM 38978 H1 TIP3 2292 34.106 63.631 -17.237 1.00 0.00 WT3 H ATOM 38979 H2 TIP3 2292 33.055 64.419 -17.991 1.00 0.00 WT3 H ATOM 38980 OH2 TIP3 2293 48.399 82.189 33.881 1.00 0.00 WT3 O ATOM 38981 H1 TIP3 2293 48.711 81.417 33.407 1.00 0.00 WT3 H ATOM 38982 H2 TIP3 2293 47.688 82.532 33.339 1.00 0.00 WT3 H ATOM 38983 OH2 TIP3 2294 80.864 85.049 59.431 1.00 0.00 WT3 O ATOM 38984 H1 TIP3 2294 80.490 85.717 60.006 1.00 0.00 WT3 H ATOM 38985 H2 TIP3 2294 81.033 85.509 58.608 1.00 0.00 WT3 H ATOM 38986 OH2 TIP3 2295 38.136 18.321 -9.895 1.00 0.00 WT3 O ATOM 38987 H1 TIP3 2295 37.400 18.077 -9.334 1.00 0.00 WT3 H ATOM 38988 H2 TIP3 2295 38.765 18.730 -9.301 1.00 0.00 WT3 H ATOM 38989 OH2 TIP3 2296 67.242 89.671 -15.953 1.00 0.00 WT3 O ATOM 38990 H1 TIP3 2296 67.187 89.623 -16.908 1.00 0.00 WT3 H ATOM 38991 H2 TIP3 2296 66.330 89.676 -15.661 1.00 0.00 WT3 H ATOM 38992 OH2 TIP3 2297 79.617 58.433 13.120 1.00 0.00 WT3 O ATOM 38993 H1 TIP3 2297 80.338 57.942 13.515 1.00 0.00 WT3 H ATOM 38994 H2 TIP3 2297 78.859 58.228 13.667 1.00 0.00 WT3 H ATOM 38995 OH2 TIP3 2299 50.880 93.397 60.745 1.00 0.00 WT3 O ATOM 38996 H1 TIP3 2299 50.720 93.567 59.817 1.00 0.00 WT3 H ATOM 38997 H2 TIP3 2299 50.007 93.274 61.120 1.00 0.00 WT3 H ATOM 38998 OH2 TIP3 2300 69.633 78.402 -7.670 1.00 0.00 WT3 O ATOM 38999 H1 TIP3 2300 69.811 79.328 -7.503 1.00 0.00 WT3 H ATOM 39000 H2 TIP3 2300 70.431 77.951 -7.394 1.00 0.00 WT3 H ATOM 39001 OH2 TIP3 2301 78.465 54.339 23.348 1.00 0.00 WT3 O ATOM 39002 H1 TIP3 2301 78.104 53.590 22.874 1.00 0.00 WT3 H ATOM 39003 H2 TIP3 2301 79.270 54.007 23.746 1.00 0.00 WT3 H ATOM 39004 OH2 TIP3 2302 78.117 19.659 54.675 1.00 0.00 WT3 O ATOM 39005 H1 TIP3 2302 77.707 19.080 54.033 1.00 0.00 WT3 H ATOM 39006 H2 TIP3 2302 78.774 20.143 54.175 1.00 0.00 WT3 H ATOM 39007 OH2 TIP3 2303 78.583 28.049 56.519 1.00 0.00 WT3 O ATOM 39008 H1 TIP3 2303 79.206 28.569 57.027 1.00 0.00 WT3 H ATOM 39009 H2 TIP3 2303 78.986 27.183 56.459 1.00 0.00 WT3 H ATOM 39010 OH2 TIP3 2304 31.956 51.324 29.915 1.00 0.00 WT3 O ATOM 39011 H1 TIP3 2304 31.996 50.384 29.738 1.00 0.00 WT3 H ATOM 39012 H2 TIP3 2304 32.730 51.683 29.481 1.00 0.00 WT3 H ATOM 39013 OH2 TIP3 2306 33.499 22.799 42.314 1.00 0.00 WT3 O ATOM 39014 H1 TIP3 2306 34.313 22.801 41.811 1.00 0.00 WT3 H ATOM 39015 H2 TIP3 2306 33.782 22.830 43.228 1.00 0.00 WT3 H ATOM 39016 OH2 TIP3 2307 35.572 76.812 38.781 1.00 0.00 WT3 O ATOM 39017 H1 TIP3 2307 34.627 76.869 38.921 1.00 0.00 WT3 H ATOM 39018 H2 TIP3 2307 35.722 77.284 37.961 1.00 0.00 WT3 H ATOM 39019 OH2 TIP3 2309 43.347 94.218 14.314 1.00 0.00 WT3 O ATOM 39020 H1 TIP3 2309 42.438 93.922 14.272 1.00 0.00 WT3 H ATOM 39021 H2 TIP3 2309 43.783 93.758 13.596 1.00 0.00 WT3 H ATOM 39022 OH2 TIP3 2310 86.795 17.462 67.083 1.00 0.00 WT3 O ATOM 39023 H1 TIP3 2310 87.106 16.635 67.451 1.00 0.00 WT3 H ATOM 39024 H2 TIP3 2310 86.865 17.343 66.135 1.00 0.00 WT3 H ATOM 39025 OH2 TIP3 2311 90.093 52.956 -3.697 1.00 0.00 WT3 O ATOM 39026 H1 TIP3 2311 90.323 52.501 -2.887 1.00 0.00 WT3 H ATOM 39027 H2 TIP3 2311 90.189 52.293 -4.381 1.00 0.00 WT3 H ATOM 39028 OH2 TIP3 2313 73.428 32.636 24.658 1.00 0.00 WT3 O ATOM 39029 H1 TIP3 2313 72.536 32.970 24.759 1.00 0.00 WT3 H ATOM 39030 H2 TIP3 2313 73.688 32.909 23.778 1.00 0.00 WT3 H ATOM 39031 OH2 TIP3 2314 63.991 71.427 27.303 1.00 0.00 WT3 O ATOM 39032 H1 TIP3 2314 64.091 70.478 27.241 1.00 0.00 WT3 H ATOM 39033 H2 TIP3 2314 63.322 71.642 26.653 1.00 0.00 WT3 H ATOM 39034 OH2 TIP3 2315 25.860 13.451 36.984 1.00 0.00 WT3 O ATOM 39035 H1 TIP3 2315 26.183 13.749 36.134 1.00 0.00 WT3 H ATOM 39036 H2 TIP3 2315 25.098 14.004 37.160 1.00 0.00 WT3 H ATOM 39037 OH2 TIP3 2316 73.540 93.341 -2.934 1.00 0.00 WT3 O ATOM 39038 H1 TIP3 2316 73.929 94.215 -2.977 1.00 0.00 WT3 H ATOM 39039 H2 TIP3 2316 72.598 93.500 -2.883 1.00 0.00 WT3 H ATOM 39040 OH2 TIP3 2317 31.712 90.224 13.927 1.00 0.00 WT3 O ATOM 39041 H1 TIP3 2317 30.817 90.383 13.630 1.00 0.00 WT3 H ATOM 39042 H2 TIP3 2317 31.782 90.709 14.750 1.00 0.00 WT3 H ATOM 39043 OH2 TIP3 2318 50.788 11.425 36.802 1.00 0.00 WT3 O ATOM 39044 H1 TIP3 2318 49.839 11.360 36.902 1.00 0.00 WT3 H ATOM 39045 H2 TIP3 2318 50.946 12.346 36.597 1.00 0.00 WT3 H ATOM 39046 OH2 TIP3 2319 32.907 11.247 24.432 1.00 0.00 WT3 O ATOM 39047 H1 TIP3 2319 33.708 10.796 24.166 1.00 0.00 WT3 H ATOM 39048 H2 TIP3 2319 32.819 11.968 23.809 1.00 0.00 WT3 H ATOM 39049 OH2 TIP3 2320 31.281 90.926 55.877 1.00 0.00 WT3 O ATOM 39050 H1 TIP3 2320 32.105 91.005 56.358 1.00 0.00 WT3 H ATOM 39051 H2 TIP3 2320 31.187 91.763 55.423 1.00 0.00 WT3 H ATOM 39052 OH2 TIP3 2321 57.263 23.594 15.409 1.00 0.00 WT3 O ATOM 39053 H1 TIP3 2321 56.442 23.184 15.680 1.00 0.00 WT3 H ATOM 39054 H2 TIP3 2321 57.195 24.496 15.721 1.00 0.00 WT3 H ATOM 39055 OH2 TIP3 2322 64.019 88.671 -15.557 1.00 0.00 WT3 O ATOM 39056 H1 TIP3 2322 63.287 88.168 -15.914 1.00 0.00 WT3 H ATOM 39057 H2 TIP3 2322 63.960 88.541 -14.610 1.00 0.00 WT3 H ATOM 39058 OH2 TIP3 2324 28.551 76.980 53.210 1.00 0.00 WT3 O ATOM 39059 H1 TIP3 2324 28.049 77.012 54.024 1.00 0.00 WT3 H ATOM 39060 H2 TIP3 2324 29.341 77.487 53.394 1.00 0.00 WT3 H ATOM 39061 OH2 TIP3 2325 54.977 93.806 13.622 1.00 0.00 WT3 O ATOM 39062 H1 TIP3 2325 54.635 94.687 13.468 1.00 0.00 WT3 H ATOM 39063 H2 TIP3 2325 54.878 93.360 12.781 1.00 0.00 WT3 H ATOM 39064 OH2 TIP3 2326 20.214 78.941 4.583 1.00 0.00 WT3 O ATOM 39065 H1 TIP3 2326 20.710 78.726 5.373 1.00 0.00 WT3 H ATOM 39066 H2 TIP3 2326 20.335 78.184 4.010 1.00 0.00 WT3 H ATOM 39067 OH2 TIP3 2327 81.765 47.748 -6.785 1.00 0.00 WT3 O ATOM 39068 H1 TIP3 2327 82.304 48.444 -6.410 1.00 0.00 WT3 H ATOM 39069 H2 TIP3 2327 80.909 48.153 -6.922 1.00 0.00 WT3 H ATOM 39070 OH2 TIP3 2328 30.933 93.533 54.942 1.00 0.00 WT3 O ATOM 39071 H1 TIP3 2328 31.625 93.879 54.379 1.00 0.00 WT3 H ATOM 39072 H2 TIP3 2328 30.397 94.295 55.160 1.00 0.00 WT3 H ATOM 39073 OH2 TIP3 2329 71.072 41.792 1.863 1.00 0.00 WT3 O ATOM 39074 H1 TIP3 2329 71.546 42.620 1.786 1.00 0.00 WT3 H ATOM 39075 H2 TIP3 2329 71.641 41.150 1.438 1.00 0.00 WT3 H ATOM 39076 OH2 TIP3 2330 33.802 80.213 57.967 1.00 0.00 WT3 O ATOM 39077 H1 TIP3 2330 34.088 79.362 57.634 1.00 0.00 WT3 H ATOM 39078 H2 TIP3 2330 33.704 80.755 57.184 1.00 0.00 WT3 H ATOM 39079 OH2 TIP3 2331 27.674 71.379 -18.172 1.00 0.00 WT3 O ATOM 39080 H1 TIP3 2331 28.601 71.145 -18.217 1.00 0.00 WT3 H ATOM 39081 H2 TIP3 2331 27.275 70.681 -17.653 1.00 0.00 WT3 H ATOM 39082 OH2 TIP3 2332 87.449 42.022 66.057 1.00 0.00 WT3 O ATOM 39083 H1 TIP3 2332 88.127 42.644 66.319 1.00 0.00 WT3 H ATOM 39084 H2 TIP3 2332 87.517 41.979 65.103 1.00 0.00 WT3 H ATOM 39085 OH2 TIP3 2333 44.054 57.617 65.776 1.00 0.00 WT3 O ATOM 39086 H1 TIP3 2333 44.293 57.831 66.678 1.00 0.00 WT3 H ATOM 39087 H2 TIP3 2333 44.753 57.998 65.245 1.00 0.00 WT3 H ATOM 39088 OH2 TIP3 2334 71.379 10.142 37.372 1.00 0.00 WT3 O ATOM 39089 H1 TIP3 2334 72.214 10.507 37.663 1.00 0.00 WT3 H ATOM 39090 H2 TIP3 2334 70.922 10.880 36.969 1.00 0.00 WT3 H ATOM 39091 OH2 TIP3 2335 32.450 2.177 64.657 1.00 0.00 WT3 O ATOM 39092 H1 TIP3 2335 33.116 1.536 64.907 1.00 0.00 WT3 H ATOM 39093 H2 TIP3 2335 32.476 2.190 63.701 1.00 0.00 WT3 H ATOM 39094 OH2 TIP3 2339 49.647 66.119 62.690 1.00 0.00 WT3 O ATOM 39095 H1 TIP3 2339 49.284 66.946 63.005 1.00 0.00 WT3 H ATOM 39096 H2 TIP3 2339 50.538 66.099 63.040 1.00 0.00 WT3 H ATOM 39097 OH2 TIP3 2340 72.103 93.327 -12.128 1.00 0.00 WT3 O ATOM 39098 H1 TIP3 2340 72.542 92.773 -11.483 1.00 0.00 WT3 H ATOM 39099 H2 TIP3 2340 72.248 94.220 -11.816 1.00 0.00 WT3 H ATOM 39100 OH2 TIP3 2341 25.464 80.410 47.558 1.00 0.00 WT3 O ATOM 39101 H1 TIP3 2341 25.343 81.230 48.037 1.00 0.00 WT3 H ATOM 39102 H2 TIP3 2341 25.343 79.727 48.218 1.00 0.00 WT3 H ATOM 39103 OH2 TIP3 2342 77.259 91.129 -6.154 1.00 0.00 WT3 O ATOM 39104 H1 TIP3 2342 76.864 91.973 -5.939 1.00 0.00 WT3 H ATOM 39105 H2 TIP3 2342 76.682 90.483 -5.747 1.00 0.00 WT3 H ATOM 39106 OH2 TIP3 2345 80.069 63.361 -19.854 1.00 0.00 WT3 O ATOM 39107 H1 TIP3 2345 79.496 63.312 -19.089 1.00 0.00 WT3 H ATOM 39108 H2 TIP3 2345 80.861 62.892 -19.592 1.00 0.00 WT3 H ATOM 39109 OH2 TIP3 2346 68.060 60.517 -10.351 1.00 0.00 WT3 O ATOM 39110 H1 TIP3 2346 68.462 61.163 -10.932 1.00 0.00 WT3 H ATOM 39111 H2 TIP3 2346 67.214 60.325 -10.756 1.00 0.00 WT3 H ATOM 39112 OH2 TIP3 2347 82.432 52.640 36.772 1.00 0.00 WT3 O ATOM 39113 H1 TIP3 2347 82.205 52.199 35.953 1.00 0.00 WT3 H ATOM 39114 H2 TIP3 2347 82.296 53.569 36.589 1.00 0.00 WT3 H ATOM 39115 OH2 TIP3 2348 45.347 19.349 -10.366 1.00 0.00 WT3 O ATOM 39116 H1 TIP3 2348 44.496 19.762 -10.510 1.00 0.00 WT3 H ATOM 39117 H2 TIP3 2348 45.196 18.420 -10.543 1.00 0.00 WT3 H ATOM 39118 OH2 TIP3 2349 44.344 53.287 54.017 1.00 0.00 WT3 O ATOM 39119 H1 TIP3 2349 43.654 53.944 54.109 1.00 0.00 WT3 H ATOM 39120 H2 TIP3 2349 44.991 53.524 54.682 1.00 0.00 WT3 H ATOM 39121 OH2 TIP3 2350 39.258 77.347 64.092 1.00 0.00 WT3 O ATOM 39122 H1 TIP3 2350 39.301 77.416 63.139 1.00 0.00 WT3 H ATOM 39123 H2 TIP3 2350 39.353 76.412 64.270 1.00 0.00 WT3 H ATOM 39124 OH2 TIP3 2351 55.658 54.599 57.124 1.00 0.00 WT3 O ATOM 39125 H1 TIP3 2351 54.790 54.637 56.724 1.00 0.00 WT3 H ATOM 39126 H2 TIP3 2351 55.855 53.664 57.182 1.00 0.00 WT3 H ATOM 39127 OH2 TIP3 2352 87.816 34.720 31.338 1.00 0.00 WT3 O ATOM 39128 H1 TIP3 2352 88.136 34.047 30.737 1.00 0.00 WT3 H ATOM 39129 H2 TIP3 2352 87.143 34.279 31.857 1.00 0.00 WT3 H ATOM 39130 OH2 TIP3 2353 40.547 23.998 9.097 1.00 0.00 WT3 O ATOM 39131 H1 TIP3 2353 41.326 24.481 8.824 1.00 0.00 WT3 H ATOM 39132 H2 TIP3 2353 39.824 24.609 8.958 1.00 0.00 WT3 H ATOM 39133 OH2 TIP3 2355 89.958 18.684 4.109 1.00 0.00 WT3 O ATOM 39134 H1 TIP3 2355 89.885 18.051 4.823 1.00 0.00 WT3 H ATOM 39135 H2 TIP3 2355 89.376 18.347 3.428 1.00 0.00 WT3 H ATOM 39136 OH2 TIP3 2356 74.963 75.620 46.812 1.00 0.00 WT3 O ATOM 39137 H1 TIP3 2356 74.640 76.415 47.237 1.00 0.00 WT3 H ATOM 39138 H2 TIP3 2356 74.280 75.392 46.181 1.00 0.00 WT3 H ATOM 39139 OH2 TIP3 2357 85.730 1.299 -5.479 1.00 0.00 WT3 O ATOM 39140 H1 TIP3 2357 84.977 1.782 -5.818 1.00 0.00 WT3 H ATOM 39141 H2 TIP3 2357 86.316 1.209 -6.231 1.00 0.00 WT3 H ATOM 39142 OH2 TIP3 2358 89.527 35.995 -9.409 1.00 0.00 WT3 O ATOM 39143 H1 TIP3 2358 89.344 36.876 -9.734 1.00 0.00 WT3 H ATOM 39144 H2 TIP3 2358 89.359 36.046 -8.468 1.00 0.00 WT3 H ATOM 39145 OH2 TIP3 2359 28.362 5.802 -19.152 1.00 0.00 WT3 O ATOM 39146 H1 TIP3 2359 28.094 5.252 -18.416 1.00 0.00 WT3 H ATOM 39147 H2 TIP3 2359 27.614 5.785 -19.748 1.00 0.00 WT3 H ATOM 39148 OH2 TIP3 2360 54.699 28.049 -7.323 1.00 0.00 WT3 O ATOM 39149 H1 TIP3 2360 53.932 27.912 -6.766 1.00 0.00 WT3 H ATOM 39150 H2 TIP3 2360 55.436 28.079 -6.712 1.00 0.00 WT3 H ATOM 39151 OH2 TIP3 2361 44.106 94.172 29.677 1.00 0.00 WT3 O ATOM 39152 H1 TIP3 2361 43.587 93.999 28.892 1.00 0.00 WT3 H ATOM 39153 H2 TIP3 2361 43.565 93.852 30.398 1.00 0.00 WT3 H ATOM 39154 OH2 TIP3 2362 69.581 45.484 60.739 1.00 0.00 WT3 O ATOM 39155 H1 TIP3 2362 70.231 44.891 60.360 1.00 0.00 WT3 H ATOM 39156 H2 TIP3 2362 69.995 46.347 60.703 1.00 0.00 WT3 H ATOM 39157 OH2 TIP3 2363 23.636 50.772 1.184 1.00 0.00 WT3 O ATOM 39158 H1 TIP3 2363 24.041 50.931 0.331 1.00 0.00 WT3 H ATOM 39159 H2 TIP3 2363 22.999 50.076 1.021 1.00 0.00 WT3 H ATOM 39160 OH2 TIP3 2365 54.207 89.160 32.938 1.00 0.00 WT3 O ATOM 39161 H1 TIP3 2365 53.518 89.392 32.315 1.00 0.00 WT3 H ATOM 39162 H2 TIP3 2365 53.749 88.704 33.644 1.00 0.00 WT3 H ATOM 39163 OH2 TIP3 2366 81.651 71.073 8.552 1.00 0.00 WT3 O ATOM 39164 H1 TIP3 2366 80.831 71.566 8.543 1.00 0.00 WT3 H ATOM 39165 H2 TIP3 2366 81.481 70.336 9.138 1.00 0.00 WT3 H ATOM 39166 OH2 TIP3 2367 21.436 71.930 24.379 1.00 0.00 WT3 O ATOM 39167 H1 TIP3 2367 20.950 71.403 23.744 1.00 0.00 WT3 H ATOM 39168 H2 TIP3 2367 21.200 71.559 25.229 1.00 0.00 WT3 H ATOM 39169 OH2 TIP3 2368 37.259 80.824 48.432 1.00 0.00 WT3 O ATOM 39170 H1 TIP3 2368 37.502 80.441 47.589 1.00 0.00 WT3 H ATOM 39171 H2 TIP3 2368 36.955 81.705 48.216 1.00 0.00 WT3 H ATOM 39172 OH2 TIP3 2374 23.295 69.344 51.946 1.00 0.00 WT3 O ATOM 39173 H1 TIP3 2374 23.022 68.537 52.382 1.00 0.00 WT3 H ATOM 39174 H2 TIP3 2374 22.776 69.369 51.142 1.00 0.00 WT3 H ATOM 39175 OH2 TIP3 2375 24.170 16.684 46.989 1.00 0.00 WT3 O ATOM 39176 H1 TIP3 2375 23.878 17.581 46.827 1.00 0.00 WT3 H ATOM 39177 H2 TIP3 2375 23.615 16.145 46.425 1.00 0.00 WT3 H ATOM 39178 OH2 TIP3 2376 90.211 27.622 18.933 1.00 0.00 WT3 O ATOM 39179 H1 TIP3 2376 90.784 27.949 19.626 1.00 0.00 WT3 H ATOM 39180 H2 TIP3 2376 89.333 27.648 19.315 1.00 0.00 WT3 H ATOM 39181 OH2 TIP3 2377 52.515 96.249 46.614 1.00 0.00 WT3 O ATOM 39182 H1 TIP3 2377 52.838 96.904 47.233 1.00 0.00 WT3 H ATOM 39183 H2 TIP3 2377 53.182 96.217 45.928 1.00 0.00 WT3 H ATOM 39184 OH2 TIP3 2379 62.283 73.368 63.857 1.00 0.00 WT3 O ATOM 39185 H1 TIP3 2379 61.935 72.522 63.575 1.00 0.00 WT3 H ATOM 39186 H2 TIP3 2379 62.968 73.570 63.220 1.00 0.00 WT3 H ATOM 39187 OH2 TIP3 2380 41.449 5.981 3.708 1.00 0.00 WT3 O ATOM 39188 H1 TIP3 2380 40.996 5.571 4.445 1.00 0.00 WT3 H ATOM 39189 H2 TIP3 2380 42.022 6.633 4.111 1.00 0.00 WT3 H ATOM 39190 OH2 TIP3 2381 31.525 12.535 52.525 1.00 0.00 WT3 O ATOM 39191 H1 TIP3 2381 32.169 11.830 52.454 1.00 0.00 WT3 H ATOM 39192 H2 TIP3 2381 30.844 12.302 51.895 1.00 0.00 WT3 H ATOM 39193 OH2 TIP3 2384 34.504 33.428 41.290 1.00 0.00 WT3 O ATOM 39194 H1 TIP3 2384 33.890 34.010 41.736 1.00 0.00 WT3 H ATOM 39195 H2 TIP3 2384 34.138 33.321 40.412 1.00 0.00 WT3 H ATOM 39196 OH2 TIP3 2388 28.763 12.901 51.610 1.00 0.00 WT3 O ATOM 39197 H1 TIP3 2388 29.027 12.536 50.765 1.00 0.00 WT3 H ATOM 39198 H2 TIP3 2388 28.287 12.190 52.039 1.00 0.00 WT3 H ATOM 39199 OH2 TIP3 2390 51.775 83.200 4.316 1.00 0.00 WT3 O ATOM 39200 H1 TIP3 2390 52.341 83.384 5.065 1.00 0.00 WT3 H ATOM 39201 H2 TIP3 2390 51.562 82.270 4.399 1.00 0.00 WT3 H ATOM 39202 OH2 TIP3 2393 73.331 26.728 -4.935 1.00 0.00 WT3 O ATOM 39203 H1 TIP3 2393 74.202 27.124 -4.906 1.00 0.00 WT3 H ATOM 39204 H2 TIP3 2393 72.854 27.143 -4.216 1.00 0.00 WT3 H ATOM 39205 OH2 TIP3 2394 40.624 75.008 65.838 1.00 0.00 WT3 O ATOM 39206 H1 TIP3 2394 41.121 74.430 65.259 1.00 0.00 WT3 H ATOM 39207 H2 TIP3 2394 41.273 75.622 66.180 1.00 0.00 WT3 H ATOM 39208 OH2 TIP3 2396 89.868 14.615 43.227 1.00 0.00 WT3 O ATOM 39209 H1 TIP3 2396 89.289 13.946 43.592 1.00 0.00 WT3 H ATOM 39210 H2 TIP3 2396 89.855 15.322 43.872 1.00 0.00 WT3 H ATOM 39211 OH2 TIP3 2397 45.983 82.767 19.218 1.00 0.00 WT3 O ATOM 39212 H1 TIP3 2397 45.660 81.870 19.132 1.00 0.00 WT3 H ATOM 39213 H2 TIP3 2397 46.192 82.858 20.148 1.00 0.00 WT3 H ATOM 39214 OH2 TIP3 2398 29.349 29.384 -16.079 1.00 0.00 WT3 O ATOM 39215 H1 TIP3 2398 29.898 30.163 -15.988 1.00 0.00 WT3 H ATOM 39216 H2 TIP3 2398 29.855 28.685 -15.665 1.00 0.00 WT3 H ATOM 39217 OH2 TIP3 2402 51.397 71.478 62.237 1.00 0.00 WT3 O ATOM 39218 H1 TIP3 2402 51.694 72.369 62.055 1.00 0.00 WT3 H ATOM 39219 H2 TIP3 2402 51.129 71.135 61.385 1.00 0.00 WT3 H ATOM 39220 OH2 TIP3 2405 64.492 68.827 28.052 1.00 0.00 WT3 O ATOM 39221 H1 TIP3 2405 64.574 67.943 28.410 1.00 0.00 WT3 H ATOM 39222 H2 TIP3 2405 63.670 69.157 28.416 1.00 0.00 WT3 H ATOM 39223 OH2 TIP3 2406 75.911 73.718 -4.982 1.00 0.00 WT3 O ATOM 39224 H1 TIP3 2406 76.301 73.604 -5.848 1.00 0.00 WT3 H ATOM 39225 H2 TIP3 2406 75.486 72.880 -4.797 1.00 0.00 WT3 H ATOM 39226 OH2 TIP3 2407 68.709 71.409 64.158 1.00 0.00 WT3 O ATOM 39227 H1 TIP3 2407 69.374 70.803 63.831 1.00 0.00 WT3 H ATOM 39228 H2 TIP3 2407 67.910 71.164 63.691 1.00 0.00 WT3 H ATOM 39229 OH2 TIP3 2408 74.210 82.285 25.115 1.00 0.00 WT3 O ATOM 39230 H1 TIP3 2408 73.447 82.439 24.558 1.00 0.00 WT3 H ATOM 39231 H2 TIP3 2408 74.876 82.885 24.781 1.00 0.00 WT3 H ATOM 39232 OH2 TIP3 2409 24.658 0.134 57.552 1.00 0.00 WT3 O ATOM 39233 H1 TIP3 2409 24.798 0.698 56.793 1.00 0.00 WT3 H ATOM 39234 H2 TIP3 2409 24.333 -0.688 57.184 1.00 0.00 WT3 H ATOM 39235 OH2 TIP3 2411 27.092 85.007 63.922 1.00 0.00 WT3 O ATOM 39236 H1 TIP3 2411 26.644 85.724 64.372 1.00 0.00 WT3 H ATOM 39237 H2 TIP3 2411 27.438 85.405 63.123 1.00 0.00 WT3 H ATOM 39238 OH2 TIP3 2412 67.608 88.315 28.011 1.00 0.00 WT3 O ATOM 39239 H1 TIP3 2412 66.726 87.945 27.969 1.00 0.00 WT3 H ATOM 39240 H2 TIP3 2412 67.545 89.014 28.661 1.00 0.00 WT3 H ATOM 39241 OH2 TIP3 2413 51.289 95.953 -8.312 1.00 0.00 WT3 O ATOM 39242 H1 TIP3 2413 51.159 95.026 -8.511 1.00 0.00 WT3 H ATOM 39243 H2 TIP3 2413 52.238 96.076 -8.353 1.00 0.00 WT3 H ATOM 39244 OH2 TIP3 2414 35.600 79.957 42.051 1.00 0.00 WT3 O ATOM 39245 H1 TIP3 2414 36.393 80.416 42.326 1.00 0.00 WT3 H ATOM 39246 H2 TIP3 2414 35.900 79.337 41.385 1.00 0.00 WT3 H ATOM 39247 OH2 TIP3 2415 76.633 11.967 49.468 1.00 0.00 WT3 O ATOM 39248 H1 TIP3 2415 76.992 12.781 49.115 1.00 0.00 WT3 H ATOM 39249 H2 TIP3 2415 75.702 12.000 49.247 1.00 0.00 WT3 H ATOM 39250 OH2 TIP3 2418 26.111 72.606 -7.670 1.00 0.00 WT3 O ATOM 39251 H1 TIP3 2418 26.127 71.826 -7.116 1.00 0.00 WT3 H ATOM 39252 H2 TIP3 2418 25.196 72.886 -7.664 1.00 0.00 WT3 H ATOM 39253 OH2 TIP3 2426 31.749 30.562 13.433 1.00 0.00 WT3 O ATOM 39254 H1 TIP3 2426 32.202 30.678 14.269 1.00 0.00 WT3 H ATOM 39255 H2 TIP3 2426 30.820 30.637 13.651 1.00 0.00 WT3 H ATOM 39256 OH2 TIP3 2427 67.396 3.186 4.037 1.00 0.00 WT3 O ATOM 39257 H1 TIP3 2427 68.277 3.439 4.313 1.00 0.00 WT3 H ATOM 39258 H2 TIP3 2427 67.319 3.522 3.144 1.00 0.00 WT3 H ATOM 39259 OH2 TIP3 2432 87.242 36.297 65.856 1.00 0.00 WT3 O ATOM 39260 H1 TIP3 2432 87.768 35.958 66.581 1.00 0.00 WT3 H ATOM 39261 H2 TIP3 2432 86.844 35.519 65.464 1.00 0.00 WT3 H ATOM 39262 OH2 TIP3 2434 31.127 67.350 -15.026 1.00 0.00 WT3 O ATOM 39263 H1 TIP3 2434 31.845 67.864 -14.657 1.00 0.00 WT3 H ATOM 39264 H2 TIP3 2434 30.672 67.958 -15.609 1.00 0.00 WT3 H ATOM 39265 OH2 TIP3 2435 70.365 71.530 66.563 1.00 0.00 WT3 O ATOM 39266 H1 TIP3 2435 69.611 71.627 65.981 1.00 0.00 WT3 H ATOM 39267 H2 TIP3 2435 70.583 70.599 66.520 1.00 0.00 WT3 H ATOM 39268 OH2 TIP3 2436 86.098 72.208 -18.455 1.00 0.00 WT3 O ATOM 39269 H1 TIP3 2436 85.238 72.346 -18.852 1.00 0.00 WT3 H ATOM 39270 H2 TIP3 2436 85.912 71.752 -17.634 1.00 0.00 WT3 H ATOM 39271 OH2 TIP3 2444 84.999 58.600 15.034 1.00 0.00 WT3 O ATOM 39272 H1 TIP3 2444 85.253 58.927 14.171 1.00 0.00 WT3 H ATOM 39273 H2 TIP3 2444 85.593 57.867 15.197 1.00 0.00 WT3 H ATOM 39274 OH2 TIP3 2445 47.745 57.624 -4.178 1.00 0.00 WT3 O ATOM 39275 H1 TIP3 2445 48.648 57.684 -3.867 1.00 0.00 WT3 H ATOM 39276 H2 TIP3 2445 47.614 56.693 -4.357 1.00 0.00 WT3 H ATOM 39277 OH2 TIP3 2449 45.653 55.394 28.897 1.00 0.00 WT3 O ATOM 39278 H1 TIP3 2449 45.830 55.110 28.000 1.00 0.00 WT3 H ATOM 39279 H2 TIP3 2449 45.122 56.184 28.799 1.00 0.00 WT3 H ATOM 39280 OH2 TIP3 2451 21.902 77.158 -17.739 1.00 0.00 WT3 O ATOM 39281 H1 TIP3 2451 20.989 76.928 -17.569 1.00 0.00 WT3 H ATOM 39282 H2 TIP3 2451 22.355 76.963 -16.919 1.00 0.00 WT3 H ATOM 39283 OH2 TIP3 2453 77.320 2.550 62.195 1.00 0.00 WT3 O ATOM 39284 H1 TIP3 2453 76.829 1.962 61.621 1.00 0.00 WT3 H ATOM 39285 H2 TIP3 2453 78.239 2.356 62.008 1.00 0.00 WT3 H ATOM 39286 OH2 TIP3 2457 86.676 47.956 -13.627 1.00 0.00 WT3 O ATOM 39287 H1 TIP3 2457 86.895 48.801 -14.020 1.00 0.00 WT3 H ATOM 39288 H2 TIP3 2457 87.423 47.751 -13.065 1.00 0.00 WT3 H ATOM 39289 OH2 TIP3 2464 87.275 64.613 40.950 1.00 0.00 WT3 O ATOM 39290 H1 TIP3 2464 87.265 64.301 40.044 1.00 0.00 WT3 H ATOM 39291 H2 TIP3 2464 87.573 63.859 41.459 1.00 0.00 WT3 H ATOM 39292 OH2 TIP3 2469 79.911 25.593 0.677 1.00 0.00 WT3 O ATOM 39293 H1 TIP3 2469 79.261 25.298 0.040 1.00 0.00 WT3 H ATOM 39294 H2 TIP3 2469 79.498 26.337 1.114 1.00 0.00 WT3 H ATOM 39295 OH2 TIP3 2473 26.943 79.260 12.723 1.00 0.00 WT3 O ATOM 39296 H1 TIP3 2473 26.823 79.937 12.056 1.00 0.00 WT3 H ATOM 39297 H2 TIP3 2473 27.770 79.486 13.149 1.00 0.00 WT3 H ATOM 39298 OH2 TIP3 2475 77.797 63.671 -14.332 1.00 0.00 WT3 O ATOM 39299 H1 TIP3 2475 78.130 63.672 -13.435 1.00 0.00 WT3 H ATOM 39300 H2 TIP3 2475 76.850 63.780 -14.238 1.00 0.00 WT3 H ATOM 39301 OH2 TIP3 2476 76.548 74.436 53.420 1.00 0.00 WT3 O ATOM 39302 H1 TIP3 2476 76.113 73.794 52.859 1.00 0.00 WT3 H ATOM 39303 H2 TIP3 2476 76.594 74.014 54.278 1.00 0.00 WT3 H ATOM 39304 OH2 TIP3 2508 60.524 9.127 41.505 1.00 0.00 WT3 O ATOM 39305 H1 TIP3 2508 60.486 9.869 42.109 1.00 0.00 WT3 H ATOM 39306 H2 TIP3 2508 59.829 9.298 40.870 1.00 0.00 WT3 H ATOM 39307 OH2 TIP3 2513 21.063 75.643 -9.078 1.00 0.00 WT3 O ATOM 39308 H1 TIP3 2513 21.475 75.554 -8.219 1.00 0.00 WT3 H ATOM 39309 H2 TIP3 2513 21.794 75.648 -9.695 1.00 0.00 WT3 H ATOM 39310 OH2 TIP3 2561 20.247 28.288 5.470 1.00 0.00 WT3 O ATOM 39311 H1 TIP3 2561 20.225 28.663 6.350 1.00 0.00 WT3 H ATOM 39312 H2 TIP3 2561 20.892 28.818 5.000 1.00 0.00 WT3 H ATOM 39313 OH2 TIP3 2587 88.563 52.738 -19.072 1.00 0.00 WT3 O ATOM 39314 H1 TIP3 2587 88.988 53.587 -18.954 1.00 0.00 WT3 H ATOM 39315 H2 TIP3 2587 89.118 52.278 -19.702 1.00 0.00 WT3 H ATOM 39316 OH2 TIP3 2591 45.361 31.357 -5.097 1.00 0.00 WT3 O ATOM 39317 H1 TIP3 2591 44.457 31.616 -4.915 1.00 0.00 WT3 H ATOM 39318 H2 TIP3 2591 45.880 32.130 -4.877 1.00 0.00 WT3 H ATOM 39319 OH2 TIP3 2606 67.214 63.670 -9.122 1.00 0.00 WT3 O ATOM 39320 H1 TIP3 2606 67.093 62.723 -9.190 1.00 0.00 WT3 H ATOM 39321 H2 TIP3 2606 66.375 64.040 -9.395 1.00 0.00 WT3 H ATOM 39322 OH2 TIP3 2607 64.338 51.597 57.510 1.00 0.00 WT3 O ATOM 39323 H1 TIP3 2607 64.244 52.334 58.113 1.00 0.00 WT3 H ATOM 39324 H2 TIP3 2607 63.929 51.897 56.698 1.00 0.00 WT3 H ATOM 39325 OH2 TIP3 2608 48.507 46.753 -12.539 1.00 0.00 WT3 O ATOM 39326 H1 TIP3 2608 48.764 47.622 -12.849 1.00 0.00 WT3 H ATOM 39327 H2 TIP3 2608 48.465 46.841 -11.587 1.00 0.00 WT3 H ATOM 39328 OH2 TIP3 2610 44.125 93.742 24.817 1.00 0.00 WT3 O ATOM 39329 H1 TIP3 2610 44.298 93.572 25.744 1.00 0.00 WT3 H ATOM 39330 H2 TIP3 2610 43.409 93.147 24.595 1.00 0.00 WT3 H ATOM 39331 OH2 TIP3 2616 80.103 42.418 -9.240 1.00 0.00 WT3 O ATOM 39332 H1 TIP3 2616 79.462 43.089 -9.003 1.00 0.00 WT3 H ATOM 39333 H2 TIP3 2616 80.289 41.963 -8.419 1.00 0.00 WT3 H ATOM 39334 OH2 TIP3 2617 28.038 82.167 -17.470 1.00 0.00 WT3 O ATOM 39335 H1 TIP3 2617 27.101 82.047 -17.320 1.00 0.00 WT3 H ATOM 39336 H2 TIP3 2617 28.168 81.922 -18.386 1.00 0.00 WT3 H ATOM 39337 OH2 TIP3 2624 86.088 67.114 50.482 1.00 0.00 WT3 O ATOM 39338 H1 TIP3 2624 86.126 67.799 49.815 1.00 0.00 WT3 H ATOM 39339 H2 TIP3 2624 85.406 66.518 50.176 1.00 0.00 WT3 H ATOM 39340 OH2 TIP3 2626 29.068 81.186 67.390 1.00 0.00 WT3 O ATOM 39341 H1 TIP3 2626 29.994 80.999 67.545 1.00 0.00 WT3 H ATOM 39342 H2 TIP3 2626 29.047 81.591 66.523 1.00 0.00 WT3 H ATOM 39343 OH2 TIP3 2628 70.699 60.380 -16.846 1.00 0.00 WT3 O ATOM 39344 H1 TIP3 2628 70.878 61.176 -16.346 1.00 0.00 WT3 H ATOM 39345 H2 TIP3 2628 71.259 60.452 -17.619 1.00 0.00 WT3 H ATOM 39346 OH2 TIP3 2629 24.095 80.890 34.859 1.00 0.00 WT3 O ATOM 39347 H1 TIP3 2629 23.612 80.430 34.172 1.00 0.00 WT3 H ATOM 39348 H2 TIP3 2629 23.449 81.473 35.257 1.00 0.00 WT3 H ATOM 39349 OH2 TIP3 2630 87.018 94.494 54.270 1.00 0.00 WT3 O ATOM 39350 H1 TIP3 2630 87.576 93.734 54.105 1.00 0.00 WT3 H ATOM 39351 H2 TIP3 2630 86.852 94.471 55.212 1.00 0.00 WT3 H ATOM 39352 OH2 TIP3 2632 63.832 23.813 28.178 1.00 0.00 WT3 O ATOM 39353 H1 TIP3 2632 63.872 24.705 27.832 1.00 0.00 WT3 H ATOM 39354 H2 TIP3 2632 64.736 23.500 28.141 1.00 0.00 WT3 H ATOM 39355 OH2 TIP3 2633 50.134 28.918 2.949 1.00 0.00 WT3 O ATOM 39356 H1 TIP3 2633 49.903 27.999 2.815 1.00 0.00 WT3 H ATOM 39357 H2 TIP3 2633 51.051 28.898 3.222 1.00 0.00 WT3 H ATOM 39358 OH2 TIP3 2634 29.891 60.239 15.880 1.00 0.00 WT3 O ATOM 39359 H1 TIP3 2634 30.567 59.644 16.207 1.00 0.00 WT3 H ATOM 39360 H2 TIP3 2634 29.123 59.681 15.752 1.00 0.00 WT3 H ATOM 39361 OH2 TIP3 2638 83.496 27.085 -2.408 1.00 0.00 WT3 O ATOM 39362 H1 TIP3 2638 84.105 27.689 -2.834 1.00 0.00 WT3 H ATOM 39363 H2 TIP3 2638 82.908 27.650 -1.908 1.00 0.00 WT3 H ATOM 39364 OH2 TIP3 2644 74.994 58.300 -4.346 1.00 0.00 WT3 O ATOM 39365 H1 TIP3 2644 74.447 57.675 -3.870 1.00 0.00 WT3 H ATOM 39366 H2 TIP3 2644 75.357 57.797 -5.074 1.00 0.00 WT3 H ATOM 39367 OH2 TIP3 2646 70.497 13.679 -14.154 1.00 0.00 WT3 O ATOM 39368 H1 TIP3 2646 70.496 13.878 -15.090 1.00 0.00 WT3 H ATOM 39369 H2 TIP3 2646 70.489 14.536 -13.727 1.00 0.00 WT3 H ATOM 39370 OH2 TIP3 2649 60.628 60.694 -3.045 1.00 0.00 WT3 O ATOM 39371 H1 TIP3 2649 60.307 60.678 -2.143 1.00 0.00 WT3 H ATOM 39372 H2 TIP3 2649 59.849 60.863 -3.575 1.00 0.00 WT3 H ATOM 39373 OH2 TIP3 2650 72.995 18.469 50.522 1.00 0.00 WT3 O ATOM 39374 H1 TIP3 2650 73.330 18.076 49.716 1.00 0.00 WT3 H ATOM 39375 H2 TIP3 2650 72.386 19.145 50.225 1.00 0.00 WT3 H ATOM 39376 OH2 TIP3 2652 34.173 2.450 -10.505 1.00 0.00 WT3 O ATOM 39377 H1 TIP3 2652 34.969 2.936 -10.290 1.00 0.00 WT3 H ATOM 39378 H2 TIP3 2652 33.842 2.146 -9.660 1.00 0.00 WT3 H ATOM 39379 OH2 TIP3 2654 77.253 67.924 34.930 1.00 0.00 WT3 O ATOM 39380 H1 TIP3 2654 77.294 67.032 35.276 1.00 0.00 WT3 H ATOM 39381 H2 TIP3 2654 76.617 68.369 35.490 1.00 0.00 WT3 H ATOM 39382 OH2 TIP3 2656 44.229 39.489 26.130 1.00 0.00 WT3 O ATOM 39383 H1 TIP3 2656 44.409 38.602 26.441 1.00 0.00 WT3 H ATOM 39384 H2 TIP3 2656 45.083 39.922 26.133 1.00 0.00 WT3 H ATOM 39385 OH2 TIP3 2657 39.366 70.493 9.152 1.00 0.00 WT3 O ATOM 39386 H1 TIP3 2657 40.252 70.847 9.228 1.00 0.00 WT3 H ATOM 39387 H2 TIP3 2657 39.337 69.781 9.791 1.00 0.00 WT3 H ATOM 39388 OH2 TIP3 2659 20.813 70.312 57.633 1.00 0.00 WT3 O ATOM 39389 H1 TIP3 2659 21.055 69.623 58.251 1.00 0.00 WT3 H ATOM 39390 H2 TIP3 2659 21.601 70.454 57.109 1.00 0.00 WT3 H ATOM 39391 OH2 TIP3 2661 90.031 24.914 64.201 1.00 0.00 WT3 O ATOM 39392 H1 TIP3 2661 90.347 25.115 65.082 1.00 0.00 WT3 H ATOM 39393 H2 TIP3 2661 90.172 23.972 64.105 1.00 0.00 WT3 H ATOM 39394 OH2 TIP3 2665 29.141 96.464 25.348 1.00 0.00 WT3 O ATOM 39395 H1 TIP3 2665 28.541 95.901 25.837 1.00 0.00 WT3 H ATOM 39396 H2 TIP3 2665 29.856 96.640 25.958 1.00 0.00 WT3 H ATOM 39397 OH2 TIP3 2667 42.235 79.388 15.163 1.00 0.00 WT3 O ATOM 39398 H1 TIP3 2667 42.004 78.763 15.851 1.00 0.00 WT3 H ATOM 39399 H2 TIP3 2667 42.551 78.845 14.442 1.00 0.00 WT3 H ATOM 39400 OH2 TIP3 2669 79.785 39.178 44.806 1.00 0.00 WT3 O ATOM 39401 H1 TIP3 2669 80.638 39.508 45.090 1.00 0.00 WT3 H ATOM 39402 H2 TIP3 2669 79.727 39.425 43.883 1.00 0.00 WT3 H ATOM 39403 OH2 TIP3 2670 76.513 15.168 51.795 1.00 0.00 WT3 O ATOM 39404 H1 TIP3 2670 75.880 14.580 52.207 1.00 0.00 WT3 H ATOM 39405 H2 TIP3 2670 76.045 15.536 51.045 1.00 0.00 WT3 H ATOM 39406 OH2 TIP3 2672 31.547 49.798 -0.089 1.00 0.00 WT3 O ATOM 39407 H1 TIP3 2672 31.146 48.930 -0.054 1.00 0.00 WT3 H ATOM 39408 H2 TIP3 2672 32.209 49.785 0.602 1.00 0.00 WT3 H ATOM 39409 OH2 TIP3 2673 69.568 5.479 47.686 1.00 0.00 WT3 O ATOM 39410 H1 TIP3 2673 69.450 4.709 48.243 1.00 0.00 WT3 H ATOM 39411 H2 TIP3 2673 70.236 5.998 48.134 1.00 0.00 WT3 H ATOM 39412 OH2 TIP3 2675 39.457 38.468 27.270 1.00 0.00 WT3 O ATOM 39413 H1 TIP3 2675 39.738 39.330 26.963 1.00 0.00 WT3 H ATOM 39414 H2 TIP3 2675 40.239 37.920 27.197 1.00 0.00 WT3 H ATOM 39415 OH2 TIP3 2676 34.686 28.145 8.854 1.00 0.00 WT3 O ATOM 39416 H1 TIP3 2676 35.224 27.773 9.554 1.00 0.00 WT3 H ATOM 39417 H2 TIP3 2676 34.680 29.085 9.031 1.00 0.00 WT3 H ATOM 39418 OH2 TIP3 2677 85.644 9.693 -19.067 1.00 0.00 WT3 O ATOM 39419 H1 TIP3 2677 86.007 9.033 -18.477 1.00 0.00 WT3 H ATOM 39420 H2 TIP3 2677 85.807 10.526 -18.625 1.00 0.00 WT3 H ATOM 39421 OH2 TIP3 2678 29.866 23.136 6.247 1.00 0.00 WT3 O ATOM 39422 H1 TIP3 2678 30.037 22.964 5.322 1.00 0.00 WT3 H ATOM 39423 H2 TIP3 2678 30.380 23.919 6.445 1.00 0.00 WT3 H ATOM 39424 OH2 TIP3 2680 47.993 15.077 -6.401 1.00 0.00 WT3 O ATOM 39425 H1 TIP3 2680 48.901 15.122 -6.104 1.00 0.00 WT3 H ATOM 39426 H2 TIP3 2680 47.532 15.718 -5.859 1.00 0.00 WT3 H ATOM 39427 OH2 TIP3 2681 59.052 -0.178 37.678 1.00 0.00 WT3 O ATOM 39428 H1 TIP3 2681 59.108 -0.198 38.633 1.00 0.00 WT3 H ATOM 39429 H2 TIP3 2681 58.862 0.736 37.468 1.00 0.00 WT3 H ATOM 39430 OH2 TIP3 2682 87.325 59.028 30.511 1.00 0.00 WT3 O ATOM 39431 H1 TIP3 2682 86.428 59.072 30.841 1.00 0.00 WT3 H ATOM 39432 H2 TIP3 2682 87.256 59.288 29.592 1.00 0.00 WT3 H ATOM 39433 OH2 TIP3 2684 66.200 3.487 19.360 1.00 0.00 WT3 O ATOM 39434 H1 TIP3 2684 66.509 3.200 20.219 1.00 0.00 WT3 H ATOM 39435 H2 TIP3 2684 66.246 4.442 19.395 1.00 0.00 WT3 H ATOM 39436 OH2 TIP3 2685 57.304 13.086 40.474 1.00 0.00 WT3 O ATOM 39437 H1 TIP3 2685 58.149 12.652 40.589 1.00 0.00 WT3 H ATOM 39438 H2 TIP3 2685 56.888 12.613 39.753 1.00 0.00 WT3 H ATOM 39439 OH2 TIP3 2688 37.165 51.458 32.978 1.00 0.00 WT3 O ATOM 39440 H1 TIP3 2688 37.162 52.029 32.209 1.00 0.00 WT3 H ATOM 39441 H2 TIP3 2688 37.875 50.838 32.814 1.00 0.00 WT3 H ATOM 39442 OH2 TIP3 2689 51.974 52.797 48.246 1.00 0.00 WT3 O ATOM 39443 H1 TIP3 2689 52.752 53.293 48.501 1.00 0.00 WT3 H ATOM 39444 H2 TIP3 2689 51.766 53.111 47.366 1.00 0.00 WT3 H ATOM 39445 OH2 TIP3 2690 81.408 81.060 31.709 1.00 0.00 WT3 O ATOM 39446 H1 TIP3 2690 80.460 81.112 31.830 1.00 0.00 WT3 H ATOM 39447 H2 TIP3 2690 81.523 80.935 30.767 1.00 0.00 WT3 H ATOM 39448 OH2 TIP3 2691 74.484 35.166 36.063 1.00 0.00 WT3 O ATOM 39449 H1 TIP3 2691 75.441 35.166 36.024 1.00 0.00 WT3 H ATOM 39450 H2 TIP3 2691 74.279 34.795 36.922 1.00 0.00 WT3 H ATOM 39451 OH2 TIP3 2692 29.551 45.528 27.956 1.00 0.00 WT3 O ATOM 39452 H1 TIP3 2692 29.619 45.137 27.085 1.00 0.00 WT3 H ATOM 39453 H2 TIP3 2692 29.224 46.413 27.797 1.00 0.00 WT3 H ATOM 39454 OH2 TIP3 2693 69.309 66.825 60.466 1.00 0.00 WT3 O ATOM 39455 H1 TIP3 2693 70.026 66.340 60.874 1.00 0.00 WT3 H ATOM 39456 H2 TIP3 2693 69.126 66.347 59.657 1.00 0.00 WT3 H ATOM 39457 OH2 TIP3 2694 72.761 57.302 -13.410 1.00 0.00 WT3 O ATOM 39458 H1 TIP3 2694 72.283 56.999 -14.182 1.00 0.00 WT3 H ATOM 39459 H2 TIP3 2694 72.264 56.955 -12.668 1.00 0.00 WT3 H ATOM 39460 OH2 TIP3 2695 66.352 64.400 18.403 1.00 0.00 WT3 O ATOM 39461 H1 TIP3 2695 66.167 63.510 18.703 1.00 0.00 WT3 H ATOM 39462 H2 TIP3 2695 66.018 64.426 17.506 1.00 0.00 WT3 H ATOM 39463 OH2 TIP3 2697 77.251 68.233 -13.213 1.00 0.00 WT3 O ATOM 39464 H1 TIP3 2697 76.837 67.759 -12.491 1.00 0.00 WT3 H ATOM 39465 H2 TIP3 2697 78.111 67.823 -13.307 1.00 0.00 WT3 H ATOM 39466 OH2 TIP3 2698 66.576 24.376 48.724 1.00 0.00 WT3 O ATOM 39467 H1 TIP3 2698 65.893 24.988 48.448 1.00 0.00 WT3 H ATOM 39468 H2 TIP3 2698 67.204 24.916 49.203 1.00 0.00 WT3 H ATOM 39469 OH2 TIP3 2699 35.986 66.099 29.743 1.00 0.00 WT3 O ATOM 39470 H1 TIP3 2699 36.726 66.631 30.036 1.00 0.00 WT3 H ATOM 39471 H2 TIP3 2699 35.931 66.262 28.801 1.00 0.00 WT3 H ATOM 39472 OH2 TIP3 2701 85.256 65.947 -13.644 1.00 0.00 WT3 O ATOM 39473 H1 TIP3 2701 84.620 65.232 -13.616 1.00 0.00 WT3 H ATOM 39474 H2 TIP3 2701 85.646 65.956 -12.770 1.00 0.00 WT3 H ATOM 39475 OH2 TIP3 2702 87.669 75.418 55.275 1.00 0.00 WT3 O ATOM 39476 H1 TIP3 2702 87.116 75.914 54.670 1.00 0.00 WT3 H ATOM 39477 H2 TIP3 2702 88.395 76.009 55.475 1.00 0.00 WT3 H ATOM 39478 OH2 TIP3 2705 50.188 17.697 26.528 1.00 0.00 WT3 O ATOM 39479 H1 TIP3 2705 49.772 18.558 26.553 1.00 0.00 WT3 H ATOM 39480 H2 TIP3 2705 49.460 17.077 26.582 1.00 0.00 WT3 H ATOM 39481 OH2 TIP3 2706 49.293 65.414 13.172 1.00 0.00 WT3 O ATOM 39482 H1 TIP3 2706 49.487 66.340 13.316 1.00 0.00 WT3 H ATOM 39483 H2 TIP3 2706 50.151 64.989 13.148 1.00 0.00 WT3 H ATOM 39484 OH2 TIP3 2707 63.004 75.867 5.147 1.00 0.00 WT3 O ATOM 39485 H1 TIP3 2707 62.679 75.968 6.041 1.00 0.00 WT3 H ATOM 39486 H2 TIP3 2707 63.494 75.045 5.161 1.00 0.00 WT3 H ATOM 39487 OH2 TIP3 2709 54.613 57.017 0.885 1.00 0.00 WT3 O ATOM 39488 H1 TIP3 2709 54.079 56.983 1.679 1.00 0.00 WT3 H ATOM 39489 H2 TIP3 2709 54.683 57.949 0.682 1.00 0.00 WT3 H ATOM 39490 OH2 TIP3 2710 37.037 10.404 -8.091 1.00 0.00 WT3 O ATOM 39491 H1 TIP3 2710 37.801 10.085 -8.570 1.00 0.00 WT3 H ATOM 39492 H2 TIP3 2710 36.721 9.641 -7.607 1.00 0.00 WT3 H ATOM 39493 OH2 TIP3 2713 23.963 85.125 42.870 1.00 0.00 WT3 O ATOM 39494 H1 TIP3 2713 23.745 84.568 43.618 1.00 0.00 WT3 H ATOM 39495 H2 TIP3 2713 23.127 85.271 42.427 1.00 0.00 WT3 H ATOM 39496 OH2 TIP3 2714 80.944 52.191 -13.250 1.00 0.00 WT3 O ATOM 39497 H1 TIP3 2714 81.629 51.862 -13.831 1.00 0.00 WT3 H ATOM 39498 H2 TIP3 2714 80.276 51.506 -13.254 1.00 0.00 WT3 H ATOM 39499 OH2 TIP3 2715 28.843 40.968 47.637 1.00 0.00 WT3 O ATOM 39500 H1 TIP3 2715 28.592 40.680 46.759 1.00 0.00 WT3 H ATOM 39501 H2 TIP3 2715 28.531 41.872 47.691 1.00 0.00 WT3 H ATOM 39502 OH2 TIP3 2717 37.662 24.518 -19.422 1.00 0.00 WT3 O ATOM 39503 H1 TIP3 2717 37.250 25.081 -18.767 1.00 0.00 WT3 H ATOM 39504 H2 TIP3 2717 37.292 23.650 -19.260 1.00 0.00 WT3 H ATOM 39505 OH2 TIP3 2718 34.529 65.572 66.325 1.00 0.00 WT3 O ATOM 39506 H1 TIP3 2718 34.334 65.204 67.187 1.00 0.00 WT3 H ATOM 39507 H2 TIP3 2718 34.257 64.894 65.707 1.00 0.00 WT3 H ATOM 39508 OH2 TIP3 2719 69.056 77.618 18.187 1.00 0.00 WT3 O ATOM 39509 H1 TIP3 2719 69.008 77.488 17.240 1.00 0.00 WT3 H ATOM 39510 H2 TIP3 2719 69.987 77.532 18.394 1.00 0.00 WT3 H ATOM 39511 OH2 TIP3 2720 22.841 54.870 51.137 1.00 0.00 WT3 O ATOM 39512 H1 TIP3 2720 22.380 55.362 51.817 1.00 0.00 WT3 H ATOM 39513 H2 TIP3 2720 23.578 54.465 51.593 1.00 0.00 WT3 H ATOM 39514 OH2 TIP3 2723 55.609 37.277 12.878 1.00 0.00 WT3 O ATOM 39515 H1 TIP3 2723 54.724 37.423 13.212 1.00 0.00 WT3 H ATOM 39516 H2 TIP3 2723 56.014 36.690 13.518 1.00 0.00 WT3 H ATOM 39517 OH2 TIP3 2724 49.563 77.947 -5.899 1.00 0.00 WT3 O ATOM 39518 H1 TIP3 2724 50.110 78.412 -6.532 1.00 0.00 WT3 H ATOM 39519 H2 TIP3 2724 48.732 77.810 -6.355 1.00 0.00 WT3 H ATOM 39520 OH2 TIP3 2726 69.117 16.272 65.845 1.00 0.00 WT3 O ATOM 39521 H1 TIP3 2726 68.219 16.231 66.173 1.00 0.00 WT3 H ATOM 39522 H2 TIP3 2726 69.366 15.357 65.712 1.00 0.00 WT3 H ATOM 39523 OH2 TIP3 2727 28.764 88.300 59.877 1.00 0.00 WT3 O ATOM 39524 H1 TIP3 2727 28.260 89.022 59.501 1.00 0.00 WT3 H ATOM 39525 H2 TIP3 2727 28.459 87.524 59.405 1.00 0.00 WT3 H ATOM 39526 OH2 TIP3 2731 29.851 55.443 -12.214 1.00 0.00 WT3 O ATOM 39527 H1 TIP3 2731 29.083 55.291 -12.764 1.00 0.00 WT3 H ATOM 39528 H2 TIP3 2731 30.411 54.682 -12.366 1.00 0.00 WT3 H ATOM 39529 OH2 TIP3 2732 39.977 6.471 30.112 1.00 0.00 WT3 O ATOM 39530 H1 TIP3 2732 40.644 6.996 30.556 1.00 0.00 WT3 H ATOM 39531 H2 TIP3 2732 39.476 6.070 30.821 1.00 0.00 WT3 H ATOM 39532 OH2 TIP3 2734 64.181 94.210 50.457 1.00 0.00 WT3 O ATOM 39533 H1 TIP3 2734 63.829 94.336 51.338 1.00 0.00 WT3 H ATOM 39534 H2 TIP3 2734 64.990 93.716 50.589 1.00 0.00 WT3 H ATOM 39535 OH2 TIP3 2735 69.903 94.455 22.203 1.00 0.00 WT3 O ATOM 39536 H1 TIP3 2735 69.496 95.170 21.714 1.00 0.00 WT3 H ATOM 39537 H2 TIP3 2735 69.557 93.659 21.798 1.00 0.00 WT3 H ATOM 39538 OH2 TIP3 2736 52.547 82.016 47.228 1.00 0.00 WT3 O ATOM 39539 H1 TIP3 2736 51.862 82.662 47.398 1.00 0.00 WT3 H ATOM 39540 H2 TIP3 2736 52.237 81.535 46.461 1.00 0.00 WT3 H ATOM 39541 OH2 TIP3 2737 45.568 59.388 64.126 1.00 0.00 WT3 O ATOM 39542 H1 TIP3 2737 45.634 60.310 64.375 1.00 0.00 WT3 H ATOM 39543 H2 TIP3 2737 45.805 59.372 63.199 1.00 0.00 WT3 H ATOM 39544 OH2 TIP3 2738 67.068 69.391 11.553 1.00 0.00 WT3 O ATOM 39545 H1 TIP3 2738 66.906 68.466 11.369 1.00 0.00 WT3 H ATOM 39546 H2 TIP3 2738 67.063 69.811 10.693 1.00 0.00 WT3 H ATOM 39547 OH2 TIP3 2739 45.162 28.153 59.615 1.00 0.00 WT3 O ATOM 39548 H1 TIP3 2739 45.128 27.899 58.693 1.00 0.00 WT3 H ATOM 39549 H2 TIP3 2739 44.471 28.809 59.709 1.00 0.00 WT3 H ATOM 39550 OH2 TIP3 2740 51.454 72.271 -5.310 1.00 0.00 WT3 O ATOM 39551 H1 TIP3 2740 52.235 71.925 -4.878 1.00 0.00 WT3 H ATOM 39552 H2 TIP3 2740 51.792 72.782 -6.045 1.00 0.00 WT3 H ATOM 39553 OH2 TIP3 2741 85.628 89.685 57.192 1.00 0.00 WT3 O ATOM 39554 H1 TIP3 2741 85.969 88.823 56.953 1.00 0.00 WT3 H ATOM 39555 H2 TIP3 2741 84.757 89.717 56.797 1.00 0.00 WT3 H ATOM 39556 OH2 TIP3 2742 75.598 95.654 63.129 1.00 0.00 WT3 O ATOM 39557 H1 TIP3 2742 75.658 96.528 63.514 1.00 0.00 WT3 H ATOM 39558 H2 TIP3 2742 75.617 95.805 62.184 1.00 0.00 WT3 H ATOM 39559 OH2 TIP3 2743 24.540 34.189 -3.660 1.00 0.00 WT3 O ATOM 39560 H1 TIP3 2743 23.844 34.692 -3.238 1.00 0.00 WT3 H ATOM 39561 H2 TIP3 2743 24.998 34.826 -4.208 1.00 0.00 WT3 H ATOM 39562 OH2 TIP3 2746 23.462 73.777 27.900 1.00 0.00 WT3 O ATOM 39563 H1 TIP3 2746 22.583 73.412 27.800 1.00 0.00 WT3 H ATOM 39564 H2 TIP3 2746 24.036 73.137 27.480 1.00 0.00 WT3 H ATOM 39565 OH2 TIP3 2748 25.224 52.386 45.028 1.00 0.00 WT3 O ATOM 39566 H1 TIP3 2748 24.537 51.811 45.365 1.00 0.00 WT3 H ATOM 39567 H2 TIP3 2748 25.031 52.469 44.094 1.00 0.00 WT3 H ATOM 39568 OH2 TIP3 2752 47.204 68.248 54.455 1.00 0.00 WT3 O ATOM 39569 H1 TIP3 2752 47.553 67.623 55.090 1.00 0.00 WT3 H ATOM 39570 H2 TIP3 2752 47.460 67.893 53.603 1.00 0.00 WT3 H ATOM 39571 OH2 TIP3 2753 30.494 79.130 30.765 1.00 0.00 WT3 O ATOM 39572 H1 TIP3 2753 31.420 79.155 31.003 1.00 0.00 WT3 H ATOM 39573 H2 TIP3 2753 30.489 79.208 29.811 1.00 0.00 WT3 H ATOM 39574 OH2 TIP3 2754 21.844 22.193 60.739 1.00 0.00 WT3 O ATOM 39575 H1 TIP3 2754 21.334 22.022 61.531 1.00 0.00 WT3 H ATOM 39576 H2 TIP3 2754 22.755 22.089 61.012 1.00 0.00 WT3 H ATOM 39577 OH2 TIP3 2755 42.772 89.913 38.233 1.00 0.00 WT3 O ATOM 39578 H1 TIP3 2755 43.475 89.633 38.819 1.00 0.00 WT3 H ATOM 39579 H2 TIP3 2755 43.126 89.782 37.354 1.00 0.00 WT3 H ATOM 39580 OH2 TIP3 2756 47.460 48.868 -18.859 1.00 0.00 WT3 O ATOM 39581 H1 TIP3 2756 48.094 48.868 -19.576 1.00 0.00 WT3 H ATOM 39582 H2 TIP3 2756 46.737 48.328 -19.178 1.00 0.00 WT3 H ATOM 39583 OH2 TIP3 2757 45.498 87.385 22.993 1.00 0.00 WT3 O ATOM 39584 H1 TIP3 2757 44.789 87.687 22.426 1.00 0.00 WT3 H ATOM 39585 H2 TIP3 2757 46.289 87.768 22.613 1.00 0.00 WT3 H ATOM 39586 OH2 TIP3 2758 78.439 30.417 49.745 1.00 0.00 WT3 O ATOM 39587 H1 TIP3 2758 78.316 29.477 49.873 1.00 0.00 WT3 H ATOM 39588 H2 TIP3 2758 77.862 30.638 49.013 1.00 0.00 WT3 H ATOM 39589 OH2 TIP3 2760 53.997 86.262 -13.816 1.00 0.00 WT3 O ATOM 39590 H1 TIP3 2760 54.571 86.107 -14.566 1.00 0.00 WT3 H ATOM 39591 H2 TIP3 2760 53.984 87.213 -13.716 1.00 0.00 WT3 H ATOM 39592 OH2 TIP3 2762 37.699 21.436 19.291 1.00 0.00 WT3 O ATOM 39593 H1 TIP3 2762 37.852 20.491 19.285 1.00 0.00 WT3 H ATOM 39594 H2 TIP3 2762 38.554 21.820 19.100 1.00 0.00 WT3 H ATOM 39595 OH2 TIP3 2763 69.444 87.809 23.995 1.00 0.00 WT3 O ATOM 39596 H1 TIP3 2763 69.905 87.409 23.258 1.00 0.00 WT3 H ATOM 39597 H2 TIP3 2763 69.900 87.481 24.770 1.00 0.00 WT3 H ATOM 39598 OH2 TIP3 2764 85.712 41.693 58.788 1.00 0.00 WT3 O ATOM 39599 H1 TIP3 2764 86.142 40.843 58.696 1.00 0.00 WT3 H ATOM 39600 H2 TIP3 2764 84.974 41.526 59.375 1.00 0.00 WT3 H ATOM 39601 OH2 TIP3 2765 37.090 63.735 53.264 1.00 0.00 WT3 O ATOM 39602 H1 TIP3 2765 37.082 63.242 52.444 1.00 0.00 WT3 H ATOM 39603 H2 TIP3 2765 37.018 64.651 52.994 1.00 0.00 WT3 H ATOM 39604 OH2 TIP3 2766 57.853 70.448 65.463 1.00 0.00 WT3 O ATOM 39605 H1 TIP3 2766 57.664 71.029 66.199 1.00 0.00 WT3 H ATOM 39606 H2 TIP3 2766 57.360 70.818 64.731 1.00 0.00 WT3 H ATOM 39607 OH2 TIP3 2768 57.562 8.177 37.746 1.00 0.00 WT3 O ATOM 39608 H1 TIP3 2768 57.066 7.555 37.213 1.00 0.00 WT3 H ATOM 39609 H2 TIP3 2768 57.929 8.795 37.113 1.00 0.00 WT3 H ATOM 39610 OH2 TIP3 2769 59.198 86.209 20.533 1.00 0.00 WT3 O ATOM 39611 H1 TIP3 2769 58.801 85.366 20.314 1.00 0.00 WT3 H ATOM 39612 H2 TIP3 2769 59.727 86.031 21.311 1.00 0.00 WT3 H ATOM 39613 OH2 TIP3 2771 70.164 84.012 12.719 1.00 0.00 WT3 O ATOM 39614 H1 TIP3 2771 70.437 84.595 12.010 1.00 0.00 WT3 H ATOM 39615 H2 TIP3 2771 69.606 83.362 12.293 1.00 0.00 WT3 H ATOM 39616 OH2 TIP3 2772 21.185 88.559 15.558 1.00 0.00 WT3 O ATOM 39617 H1 TIP3 2772 20.738 88.141 16.293 1.00 0.00 WT3 H ATOM 39618 H2 TIP3 2772 21.920 87.978 15.362 1.00 0.00 WT3 H ATOM 39619 OH2 TIP3 2774 31.598 92.955 15.451 1.00 0.00 WT3 O ATOM 39620 H1 TIP3 2774 32.091 92.244 15.861 1.00 0.00 WT3 H ATOM 39621 H2 TIP3 2774 32.138 93.224 14.708 1.00 0.00 WT3 H ATOM 39622 OH2 TIP3 2775 73.525 65.537 3.224 1.00 0.00 WT3 O ATOM 39623 H1 TIP3 2775 73.723 65.104 2.393 1.00 0.00 WT3 H ATOM 39624 H2 TIP3 2775 73.299 66.435 2.979 1.00 0.00 WT3 H ATOM 39625 OH2 TIP3 2776 60.760 74.371 41.032 1.00 0.00 WT3 O ATOM 39626 H1 TIP3 2776 61.259 73.582 40.820 1.00 0.00 WT3 H ATOM 39627 H2 TIP3 2776 59.995 74.049 41.508 1.00 0.00 WT3 H ATOM 39628 OH2 TIP3 2777 41.377 93.213 44.459 1.00 0.00 WT3 O ATOM 39629 H1 TIP3 2777 41.497 93.690 43.638 1.00 0.00 WT3 H ATOM 39630 H2 TIP3 2777 42.049 93.565 45.042 1.00 0.00 WT3 H ATOM 39631 OH2 TIP3 2778 86.938 33.640 23.765 1.00 0.00 WT3 O ATOM 39632 H1 TIP3 2778 87.334 32.903 24.231 1.00 0.00 WT3 H ATOM 39633 H2 TIP3 2778 87.034 34.381 24.363 1.00 0.00 WT3 H ATOM 39634 OH2 TIP3 2779 37.027 66.184 65.932 1.00 0.00 WT3 O ATOM 39635 H1 TIP3 2779 36.072 66.121 65.908 1.00 0.00 WT3 H ATOM 39636 H2 TIP3 2779 37.327 65.532 65.298 1.00 0.00 WT3 H ATOM 39637 OH2 TIP3 2780 30.233 0.284 4.602 1.00 0.00 WT3 O ATOM 39638 H1 TIP3 2780 30.720 1.083 4.804 1.00 0.00 WT3 H ATOM 39639 H2 TIP3 2780 30.705 -0.105 3.866 1.00 0.00 WT3 H ATOM 39640 OH2 TIP3 2782 49.566 5.834 21.420 1.00 0.00 WT3 O ATOM 39641 H1 TIP3 2782 48.912 5.798 22.118 1.00 0.00 WT3 H ATOM 39642 H2 TIP3 2782 49.063 5.717 20.614 1.00 0.00 WT3 H ATOM 39643 OH2 TIP3 2783 80.042 64.614 11.833 1.00 0.00 WT3 O ATOM 39644 H1 TIP3 2783 79.632 64.292 12.635 1.00 0.00 WT3 H ATOM 39645 H2 TIP3 2783 80.413 63.832 11.423 1.00 0.00 WT3 H ATOM 39646 OH2 TIP3 2784 51.533 79.311 18.481 1.00 0.00 WT3 O ATOM 39647 H1 TIP3 2784 52.479 79.238 18.608 1.00 0.00 WT3 H ATOM 39648 H2 TIP3 2784 51.324 80.209 18.735 1.00 0.00 WT3 H ATOM 39649 OH2 TIP3 2785 66.358 56.833 65.590 1.00 0.00 WT3 O ATOM 39650 H1 TIP3 2785 66.670 56.797 64.686 1.00 0.00 WT3 H ATOM 39651 H2 TIP3 2785 65.472 57.187 65.525 1.00 0.00 WT3 H ATOM 39652 OH2 TIP3 2786 39.402 46.147 39.921 1.00 0.00 WT3 O ATOM 39653 H1 TIP3 2786 39.537 45.242 39.641 1.00 0.00 WT3 H ATOM 39654 H2 TIP3 2786 39.276 46.088 40.868 1.00 0.00 WT3 H ATOM 39655 OH2 TIP3 2791 79.287 88.645 27.991 1.00 0.00 WT3 O ATOM 39656 H1 TIP3 2791 78.902 88.247 27.210 1.00 0.00 WT3 H ATOM 39657 H2 TIP3 2791 78.875 89.507 28.050 1.00 0.00 WT3 H ATOM 39658 OH2 TIP3 2792 83.481 29.248 19.165 1.00 0.00 WT3 O ATOM 39659 H1 TIP3 2792 84.297 29.166 19.658 1.00 0.00 WT3 H ATOM 39660 H2 TIP3 2792 82.934 29.824 19.700 1.00 0.00 WT3 H ATOM 39661 OH2 TIP3 2794 36.740 86.423 15.602 1.00 0.00 WT3 O ATOM 39662 H1 TIP3 2794 36.718 86.021 14.734 1.00 0.00 WT3 H ATOM 39663 H2 TIP3 2794 36.750 85.683 16.209 1.00 0.00 WT3 H ATOM 39664 OH2 TIP3 2795 31.354 5.278 -13.174 1.00 0.00 WT3 O ATOM 39665 H1 TIP3 2795 31.792 4.452 -12.969 1.00 0.00 WT3 H ATOM 39666 H2 TIP3 2795 30.875 5.102 -13.983 1.00 0.00 WT3 H ATOM 39667 OH2 TIP3 2797 70.549 76.003 -4.166 1.00 0.00 WT3 O ATOM 39668 H1 TIP3 2797 70.467 76.066 -3.215 1.00 0.00 WT3 H ATOM 39669 H2 TIP3 2797 71.333 75.473 -4.306 1.00 0.00 WT3 H ATOM 39670 OH2 TIP3 2799 61.055 33.996 -1.262 1.00 0.00 WT3 O ATOM 39671 H1 TIP3 2799 61.135 34.784 -0.725 1.00 0.00 WT3 H ATOM 39672 H2 TIP3 2799 61.260 33.276 -0.665 1.00 0.00 WT3 H ATOM 39673 OH2 TIP3 2800 56.736 28.939 55.448 1.00 0.00 WT3 O ATOM 39674 H1 TIP3 2800 55.912 28.747 55.001 1.00 0.00 WT3 H ATOM 39675 H2 TIP3 2800 57.012 29.783 55.091 1.00 0.00 WT3 H ATOM 39676 OH2 TIP3 2801 42.143 9.555 3.060 1.00 0.00 WT3 O ATOM 39677 H1 TIP3 2801 42.763 10.126 2.606 1.00 0.00 WT3 H ATOM 39678 H2 TIP3 2801 41.305 10.014 2.999 1.00 0.00 WT3 H ATOM 39679 OH2 TIP3 2804 55.076 11.985 41.847 1.00 0.00 WT3 O ATOM 39680 H1 TIP3 2804 55.852 12.525 41.699 1.00 0.00 WT3 H ATOM 39681 H2 TIP3 2804 54.615 12.416 42.566 1.00 0.00 WT3 H ATOM 39682 OH2 TIP3 2805 65.047 72.905 54.753 1.00 0.00 WT3 O ATOM 39683 H1 TIP3 2805 64.785 73.651 54.213 1.00 0.00 WT3 H ATOM 39684 H2 TIP3 2805 65.087 72.169 54.143 1.00 0.00 WT3 H ATOM 39685 OH2 TIP3 2806 25.030 76.253 9.581 1.00 0.00 WT3 O ATOM 39686 H1 TIP3 2806 24.995 76.043 10.514 1.00 0.00 WT3 H ATOM 39687 H2 TIP3 2806 25.892 75.947 9.299 1.00 0.00 WT3 H ATOM 39688 OH2 TIP3 2808 55.832 36.154 -0.177 1.00 0.00 WT3 O ATOM 39689 H1 TIP3 2808 55.304 35.777 0.526 1.00 0.00 WT3 H ATOM 39690 H2 TIP3 2808 55.355 36.941 -0.440 1.00 0.00 WT3 H ATOM 39691 OH2 TIP3 2809 22.526 82.750 12.503 1.00 0.00 WT3 O ATOM 39692 H1 TIP3 2809 21.616 83.032 12.590 1.00 0.00 WT3 H ATOM 39693 H2 TIP3 2809 22.626 82.057 13.156 1.00 0.00 WT3 H ATOM 39694 OH2 TIP3 2810 40.430 65.027 53.998 1.00 0.00 WT3 O ATOM 39695 H1 TIP3 2810 40.059 64.184 54.259 1.00 0.00 WT3 H ATOM 39696 H2 TIP3 2810 41.368 64.858 53.903 1.00 0.00 WT3 H ATOM 39697 OH2 TIP3 2811 27.598 71.088 16.546 1.00 0.00 WT3 O ATOM 39698 H1 TIP3 2811 28.121 70.287 16.567 1.00 0.00 WT3 H ATOM 39699 H2 TIP3 2811 27.724 71.479 17.410 1.00 0.00 WT3 H ATOM 39700 OH2 TIP3 2813 76.884 60.750 59.553 1.00 0.00 WT3 O ATOM 39701 H1 TIP3 2813 77.116 60.472 58.667 1.00 0.00 WT3 H ATOM 39702 H2 TIP3 2813 77.274 60.087 60.122 1.00 0.00 WT3 H ATOM 39703 OH2 TIP3 2815 47.136 55.846 57.775 1.00 0.00 WT3 O ATOM 39704 H1 TIP3 2815 47.226 55.818 56.822 1.00 0.00 WT3 H ATOM 39705 H2 TIP3 2815 46.814 56.728 57.960 1.00 0.00 WT3 H ATOM 39706 OH2 TIP3 2817 42.150 73.026 64.732 1.00 0.00 WT3 O ATOM 39707 H1 TIP3 2817 42.665 72.249 64.513 1.00 0.00 WT3 H ATOM 39708 H2 TIP3 2817 42.534 73.725 64.203 1.00 0.00 WT3 H ATOM 39709 OH2 TIP3 2818 20.943 66.564 47.459 1.00 0.00 WT3 O ATOM 39710 H1 TIP3 2818 20.691 66.889 46.594 1.00 0.00 WT3 H ATOM 39711 H2 TIP3 2818 21.897 66.492 47.419 1.00 0.00 WT3 H ATOM 39712 OH2 TIP3 2820 40.162 47.987 16.616 1.00 0.00 WT3 O ATOM 39713 H1 TIP3 2820 40.689 47.543 17.280 1.00 0.00 WT3 H ATOM 39714 H2 TIP3 2820 40.785 48.540 16.145 1.00 0.00 WT3 H ATOM 39715 OH2 TIP3 2821 26.173 66.093 13.272 1.00 0.00 WT3 O ATOM 39716 H1 TIP3 2821 26.862 65.448 13.431 1.00 0.00 WT3 H ATOM 39717 H2 TIP3 2821 26.641 66.878 12.988 1.00 0.00 WT3 H ATOM 39718 OH2 TIP3 2824 88.296 22.300 12.075 1.00 0.00 WT3 O ATOM 39719 H1 TIP3 2824 88.776 22.694 12.803 1.00 0.00 WT3 H ATOM 39720 H2 TIP3 2824 88.965 22.120 11.415 1.00 0.00 WT3 H ATOM 39721 OH2 TIP3 2825 71.257 85.124 -9.958 1.00 0.00 WT3 O ATOM 39722 H1 TIP3 2825 71.084 84.868 -10.864 1.00 0.00 WT3 H ATOM 39723 H2 TIP3 2825 72.162 84.855 -9.801 1.00 0.00 WT3 H ATOM 39724 OH2 TIP3 2826 82.443 81.746 44.472 1.00 0.00 WT3 O ATOM 39725 H1 TIP3 2826 81.999 82.156 45.215 1.00 0.00 WT3 H ATOM 39726 H2 TIP3 2826 83.102 82.387 44.204 1.00 0.00 WT3 H ATOM 39727 OH2 TIP3 2827 32.769 62.570 5.787 1.00 0.00 WT3 O ATOM 39728 H1 TIP3 2827 33.028 63.419 6.145 1.00 0.00 WT3 H ATOM 39729 H2 TIP3 2827 32.880 61.958 6.515 1.00 0.00 WT3 H ATOM 39730 OH2 TIP3 2829 24.232 51.294 38.936 1.00 0.00 WT3 O ATOM 39731 H1 TIP3 2829 23.702 51.348 38.141 1.00 0.00 WT3 H ATOM 39732 H2 TIP3 2829 23.722 50.741 39.528 1.00 0.00 WT3 H ATOM 39733 OH2 TIP3 2830 79.127 8.953 45.932 1.00 0.00 WT3 O ATOM 39734 H1 TIP3 2830 79.016 9.854 45.630 1.00 0.00 WT3 H ATOM 39735 H2 TIP3 2830 79.473 8.486 45.171 1.00 0.00 WT3 H ATOM 39736 OH2 TIP3 2831 77.515 86.881 -2.515 1.00 0.00 WT3 O ATOM 39737 H1 TIP3 2831 78.239 86.735 -1.907 1.00 0.00 WT3 H ATOM 39738 H2 TIP3 2831 77.938 87.045 -3.358 1.00 0.00 WT3 H ATOM 39739 OH2 TIP3 2832 31.488 38.997 17.347 1.00 0.00 WT3 O ATOM 39740 H1 TIP3 2832 30.737 39.136 17.924 1.00 0.00 WT3 H ATOM 39741 H2 TIP3 2832 31.938 39.842 17.331 1.00 0.00 WT3 H ATOM 39742 OH2 TIP3 2833 71.912 84.023 38.256 1.00 0.00 WT3 O ATOM 39743 H1 TIP3 2833 71.133 84.197 37.727 1.00 0.00 WT3 H ATOM 39744 H2 TIP3 2833 71.606 83.436 38.948 1.00 0.00 WT3 H ATOM 39745 OH2 TIP3 2834 24.290 62.497 6.813 1.00 0.00 WT3 O ATOM 39746 H1 TIP3 2834 24.314 63.267 7.382 1.00 0.00 WT3 H ATOM 39747 H2 TIP3 2834 24.829 62.739 6.059 1.00 0.00 WT3 H ATOM 39748 OH2 TIP3 2835 32.615 39.262 30.730 1.00 0.00 WT3 O ATOM 39749 H1 TIP3 2835 33.342 39.088 30.131 1.00 0.00 WT3 H ATOM 39750 H2 TIP3 2835 31.850 39.347 30.161 1.00 0.00 WT3 H ATOM 39751 OH2 TIP3 2836 68.693 93.725 47.997 1.00 0.00 WT3 O ATOM 39752 H1 TIP3 2836 69.381 93.060 47.972 1.00 0.00 WT3 H ATOM 39753 H2 TIP3 2836 68.278 93.673 47.136 1.00 0.00 WT3 H ATOM 39754 OH2 TIP3 2837 48.804 3.778 -6.131 1.00 0.00 WT3 O ATOM 39755 H1 TIP3 2837 49.389 3.355 -5.503 1.00 0.00 WT3 H ATOM 39756 H2 TIP3 2837 49.376 4.342 -6.650 1.00 0.00 WT3 H ATOM 39757 OH2 TIP3 2842 56.588 87.752 55.174 1.00 0.00 WT3 O ATOM 39758 H1 TIP3 2842 56.177 87.416 54.377 1.00 0.00 WT3 H ATOM 39759 H2 TIP3 2842 57.329 88.270 54.861 1.00 0.00 WT3 H ATOM 39760 OH2 TIP3 2843 67.306 95.248 51.658 1.00 0.00 WT3 O ATOM 39761 H1 TIP3 2843 67.009 94.376 51.916 1.00 0.00 WT3 H ATOM 39762 H2 TIP3 2843 68.054 95.426 52.228 1.00 0.00 WT3 H ATOM 39763 OH2 TIP3 2844 26.185 39.463 43.258 1.00 0.00 WT3 O ATOM 39764 H1 TIP3 2844 25.875 40.346 43.055 1.00 0.00 WT3 H ATOM 39765 H2 TIP3 2844 25.608 38.885 42.758 1.00 0.00 WT3 H ATOM 39766 OH2 TIP3 2845 55.414 29.922 -9.345 1.00 0.00 WT3 O ATOM 39767 H1 TIP3 2845 55.284 30.794 -8.971 1.00 0.00 WT3 H ATOM 39768 H2 TIP3 2845 55.322 29.326 -8.601 1.00 0.00 WT3 H ATOM 39769 OH2 TIP3 2846 22.891 75.567 25.777 1.00 0.00 WT3 O ATOM 39770 H1 TIP3 2846 23.301 74.912 26.341 1.00 0.00 WT3 H ATOM 39771 H2 TIP3 2846 23.369 76.376 25.962 1.00 0.00 WT3 H ATOM 39772 OH2 TIP3 2847 35.843 74.400 27.123 1.00 0.00 WT3 O ATOM 39773 H1 TIP3 2847 36.322 73.608 26.879 1.00 0.00 WT3 H ATOM 39774 H2 TIP3 2847 36.426 74.855 27.730 1.00 0.00 WT3 H ATOM 39775 OH2 TIP3 2849 67.772 24.418 21.516 1.00 0.00 WT3 O ATOM 39776 H1 TIP3 2849 67.296 24.714 20.740 1.00 0.00 WT3 H ATOM 39777 H2 TIP3 2849 68.246 25.193 21.817 1.00 0.00 WT3 H ATOM 39778 OH2 TIP3 2852 51.210 32.895 64.145 1.00 0.00 WT3 O ATOM 39779 H1 TIP3 2852 52.091 32.913 64.521 1.00 0.00 WT3 H ATOM 39780 H2 TIP3 2852 51.290 33.379 63.323 1.00 0.00 WT3 H ATOM 39781 OH2 TIP3 2855 87.560 10.017 63.957 1.00 0.00 WT3 O ATOM 39782 H1 TIP3 2855 87.248 10.686 63.347 1.00 0.00 WT3 H ATOM 39783 H2 TIP3 2855 88.471 9.868 63.704 1.00 0.00 WT3 H ATOM 39784 OH2 TIP3 2856 76.268 92.817 58.587 1.00 0.00 WT3 O ATOM 39785 H1 TIP3 2856 76.386 93.574 58.013 1.00 0.00 WT3 H ATOM 39786 H2 TIP3 2856 75.347 92.578 58.484 1.00 0.00 WT3 H ATOM 39787 OH2 TIP3 2857 59.281 12.272 63.364 1.00 0.00 WT3 O ATOM 39788 H1 TIP3 2857 58.519 11.721 63.547 1.00 0.00 WT3 H ATOM 39789 H2 TIP3 2857 59.454 12.724 64.190 1.00 0.00 WT3 H ATOM 39790 OH2 TIP3 2862 25.370 34.525 35.620 1.00 0.00 WT3 O ATOM 39791 H1 TIP3 2862 25.533 33.797 35.021 1.00 0.00 WT3 H ATOM 39792 H2 TIP3 2862 24.432 34.696 35.541 1.00 0.00 WT3 H ATOM 39793 OH2 TIP3 2865 80.984 80.124 -4.465 1.00 0.00 WT3 O ATOM 39794 H1 TIP3 2865 80.570 80.770 -5.038 1.00 0.00 WT3 H ATOM 39795 H2 TIP3 2865 81.205 80.614 -3.673 1.00 0.00 WT3 H ATOM 39796 OH2 TIP3 2866 69.669 84.569 58.262 1.00 0.00 WT3 O ATOM 39797 H1 TIP3 2866 69.377 83.802 58.754 1.00 0.00 WT3 H ATOM 39798 H2 TIP3 2866 69.146 85.291 58.610 1.00 0.00 WT3 H ATOM 39799 OH2 TIP3 2868 72.066 89.849 8.276 1.00 0.00 WT3 O ATOM 39800 H1 TIP3 2868 71.141 89.602 8.274 1.00 0.00 WT3 H ATOM 39801 H2 TIP3 2868 72.126 90.554 7.631 1.00 0.00 WT3 H ATOM 39802 OH2 TIP3 2872 54.162 76.906 27.134 1.00 0.00 WT3 O ATOM 39803 H1 TIP3 2872 54.241 77.199 26.226 1.00 0.00 WT3 H ATOM 39804 H2 TIP3 2872 54.084 75.954 27.073 1.00 0.00 WT3 H ATOM 39805 OH2 TIP3 2873 47.561 10.026 31.192 1.00 0.00 WT3 O ATOM 39806 H1 TIP3 2873 47.958 9.482 30.512 1.00 0.00 WT3 H ATOM 39807 H2 TIP3 2873 47.802 9.598 32.014 1.00 0.00 WT3 H ATOM 39808 OH2 TIP3 2874 83.948 89.108 -14.066 1.00 0.00 WT3 O ATOM 39809 H1 TIP3 2874 84.110 88.267 -13.640 1.00 0.00 WT3 H ATOM 39810 H2 TIP3 2874 84.115 88.943 -14.994 1.00 0.00 WT3 H ATOM 39811 OH2 TIP3 2875 53.580 95.064 60.241 1.00 0.00 WT3 O ATOM 39812 H1 TIP3 2875 54.078 95.743 59.788 1.00 0.00 WT3 H ATOM 39813 H2 TIP3 2875 53.740 94.269 59.733 1.00 0.00 WT3 H ATOM 39814 OH2 TIP3 2876 24.249 52.727 34.714 1.00 0.00 WT3 O ATOM 39815 H1 TIP3 2876 24.807 53.465 34.466 1.00 0.00 WT3 H ATOM 39816 H2 TIP3 2876 24.037 52.298 33.885 1.00 0.00 WT3 H ATOM 39817 OH2 TIP3 2877 57.047 75.749 -14.856 1.00 0.00 WT3 O ATOM 39818 H1 TIP3 2877 57.783 75.970 -14.285 1.00 0.00 WT3 H ATOM 39819 H2 TIP3 2877 56.725 74.913 -14.519 1.00 0.00 WT3 H ATOM 39820 OH2 TIP3 2878 23.347 51.776 59.354 1.00 0.00 WT3 O ATOM 39821 H1 TIP3 2878 23.903 52.539 59.197 1.00 0.00 WT3 H ATOM 39822 H2 TIP3 2878 23.959 51.073 59.568 1.00 0.00 WT3 H ATOM 39823 OH2 TIP3 2885 25.514 48.098 28.707 1.00 0.00 WT3 O ATOM 39824 H1 TIP3 2885 24.685 48.371 28.316 1.00 0.00 WT3 H ATOM 39825 H2 TIP3 2885 26.169 48.670 28.305 1.00 0.00 WT3 H ATOM 39826 OH2 TIP3 2889 68.263 29.456 -4.721 1.00 0.00 WT3 O ATOM 39827 H1 TIP3 2889 68.346 28.557 -4.402 1.00 0.00 WT3 H ATOM 39828 H2 TIP3 2889 68.007 29.363 -5.638 1.00 0.00 WT3 H ATOM 39829 OH2 TIP3 2895 39.466 74.397 -6.631 1.00 0.00 WT3 O ATOM 39830 H1 TIP3 2895 39.190 73.592 -7.070 1.00 0.00 WT3 H ATOM 39831 H2 TIP3 2895 39.822 74.103 -5.792 1.00 0.00 WT3 H ATOM 39832 OH2 TIP3 2907 86.584 52.675 49.410 1.00 0.00 WT3 O ATOM 39833 H1 TIP3 2907 86.068 52.114 48.831 1.00 0.00 WT3 H ATOM 39834 H2 TIP3 2907 86.384 53.566 49.124 1.00 0.00 WT3 H ATOM 39835 OH2 TIP3 2910 20.619 60.178 62.820 1.00 0.00 WT3 O ATOM 39836 H1 TIP3 2910 19.738 60.504 63.005 1.00 0.00 WT3 H ATOM 39837 H2 TIP3 2910 21.052 60.900 62.366 1.00 0.00 WT3 H ATOM 39838 OH2 TIP3 2913 23.962 67.150 34.918 1.00 0.00 WT3 O ATOM 39839 H1 TIP3 2913 23.863 66.305 34.478 1.00 0.00 WT3 H ATOM 39840 H2 TIP3 2913 24.224 67.753 34.222 1.00 0.00 WT3 H ATOM 39841 OH2 TIP3 2926 20.975 40.216 -10.161 1.00 0.00 WT3 O ATOM 39842 H1 TIP3 2926 21.084 40.618 -9.299 1.00 0.00 WT3 H ATOM 39843 H2 TIP3 2926 20.196 39.667 -10.073 1.00 0.00 WT3 H ATOM 39844 OH2 TIP3 2944 77.840 86.724 -5.037 1.00 0.00 WT3 O ATOM 39845 H1 TIP3 2944 78.134 85.932 -5.486 1.00 0.00 WT3 H ATOM 39846 H2 TIP3 2944 78.114 87.440 -5.611 1.00 0.00 WT3 H ATOM 39847 OH2 TIP3 2957 28.751 69.589 19.180 1.00 0.00 WT3 O ATOM 39848 H1 TIP3 2957 29.012 68.833 19.706 1.00 0.00 WT3 H ATOM 39849 H2 TIP3 2957 27.820 69.451 19.007 1.00 0.00 WT3 H ATOM 39850 OH2 TIP3 3010 21.928 40.009 50.527 1.00 0.00 WT3 O ATOM 39851 H1 TIP3 3010 21.144 40.329 50.975 1.00 0.00 WT3 H ATOM 39852 H2 TIP3 3010 22.558 39.852 51.230 1.00 0.00 WT3 H ATOM 39853 OH2 TIP3 3012 70.199 81.251 64.601 1.00 0.00 WT3 O ATOM 39854 H1 TIP3 3012 70.989 81.789 64.651 1.00 0.00 WT3 H ATOM 39855 H2 TIP3 3012 70.296 80.757 63.786 1.00 0.00 WT3 H ATOM 39856 OH2 TIP3 3016 48.245 80.500 7.467 1.00 0.00 WT3 O ATOM 39857 H1 TIP3 3016 48.941 80.284 6.847 1.00 0.00 WT3 H ATOM 39858 H2 TIP3 3016 48.406 79.928 8.218 1.00 0.00 WT3 H ATOM 39859 OH2 TIP3 3024 78.115 37.178 36.332 1.00 0.00 WT3 O ATOM 39860 H1 TIP3 3024 78.675 37.669 36.933 1.00 0.00 WT3 H ATOM 39861 H2 TIP3 3024 77.951 36.348 36.780 1.00 0.00 WT3 H ATOM 39862 OH2 TIP3 3027 48.711 21.748 -6.808 1.00 0.00 WT3 O ATOM 39863 H1 TIP3 3027 48.601 20.801 -6.892 1.00 0.00 WT3 H ATOM 39864 H2 TIP3 3027 49.188 21.863 -5.987 1.00 0.00 WT3 H ATOM 39865 OH2 TIP3 3030 44.295 92.332 -6.474 1.00 0.00 WT3 O ATOM 39866 H1 TIP3 3030 44.163 92.756 -5.626 1.00 0.00 WT3 H ATOM 39867 H2 TIP3 3030 43.432 91.989 -6.707 1.00 0.00 WT3 H ATOM 39868 OH2 TIP3 3037 76.276 70.268 31.803 1.00 0.00 WT3 O ATOM 39869 H1 TIP3 3037 75.740 70.464 32.572 1.00 0.00 WT3 H ATOM 39870 H2 TIP3 3037 76.065 69.360 31.589 1.00 0.00 WT3 H ATOM 39871 OH2 TIP3 3042 23.909 83.520 65.003 1.00 0.00 WT3 O ATOM 39872 H1 TIP3 3042 24.026 84.399 64.641 1.00 0.00 WT3 H ATOM 39873 H2 TIP3 3042 24.431 83.521 65.806 1.00 0.00 WT3 H ATOM 39874 OH2 TIP3 3046 50.493 91.193 -12.283 1.00 0.00 WT3 O ATOM 39875 H1 TIP3 3046 49.993 90.443 -11.961 1.00 0.00 WT3 H ATOM 39876 H2 TIP3 3046 51.351 91.106 -11.867 1.00 0.00 WT3 H ATOM 39877 OH2 TIP3 3049 62.701 73.630 23.542 1.00 0.00 WT3 O ATOM 39878 H1 TIP3 3049 61.874 73.282 23.876 1.00 0.00 WT3 H ATOM 39879 H2 TIP3 3049 62.770 74.501 23.933 1.00 0.00 WT3 H ATOM 39880 OH2 TIP3 3050 63.375 48.417 55.818 1.00 0.00 WT3 O ATOM 39881 H1 TIP3 3050 63.265 47.680 55.217 1.00 0.00 WT3 H ATOM 39882 H2 TIP3 3050 62.673 49.024 55.585 1.00 0.00 WT3 H ATOM 39883 OH2 TIP3 3053 53.645 40.959 58.230 1.00 0.00 WT3 O ATOM 39884 H1 TIP3 3053 53.474 41.045 57.292 1.00 0.00 WT3 H ATOM 39885 H2 TIP3 3053 54.531 41.303 58.345 1.00 0.00 WT3 H ATOM 39886 OH2 TIP3 3057 49.591 73.278 -17.602 1.00 0.00 WT3 O ATOM 39887 H1 TIP3 3057 50.385 73.323 -18.135 1.00 0.00 WT3 H ATOM 39888 H2 TIP3 3057 49.732 72.528 -17.024 1.00 0.00 WT3 H ATOM 39889 OH2 TIP3 3059 57.249 2.225 12.587 1.00 0.00 WT3 O ATOM 39890 H1 TIP3 3059 58.065 1.830 12.895 1.00 0.00 WT3 H ATOM 39891 H2 TIP3 3059 57.338 2.248 11.634 1.00 0.00 WT3 H ATOM 39892 OH2 TIP3 3066 61.986 79.772 26.844 1.00 0.00 WT3 O ATOM 39893 H1 TIP3 3066 62.314 79.159 27.502 1.00 0.00 WT3 H ATOM 39894 H2 TIP3 3066 61.140 79.411 26.580 1.00 0.00 WT3 H ATOM 39895 OH2 TIP3 3070 82.352 95.075 58.600 1.00 0.00 WT3 O ATOM 39896 H1 TIP3 3070 82.221 95.870 59.117 1.00 0.00 WT3 H ATOM 39897 H2 TIP3 3070 83.026 94.589 59.075 1.00 0.00 WT3 H ATOM 39898 OH2 TIP3 3071 35.438 76.262 60.703 1.00 0.00 WT3 O ATOM 39899 H1 TIP3 3071 36.329 76.319 60.356 1.00 0.00 WT3 H ATOM 39900 H2 TIP3 3071 35.113 75.418 60.390 1.00 0.00 WT3 H ATOM 39901 OH2 TIP3 3072 59.897 29.301 -19.076 1.00 0.00 WT3 O ATOM 39902 H1 TIP3 3072 59.215 29.270 -19.747 1.00 0.00 WT3 H ATOM 39903 H2 TIP3 3072 59.656 30.043 -18.522 1.00 0.00 WT3 H ATOM 39904 OH2 TIP3 3073 64.066 66.716 51.048 1.00 0.00 WT3 O ATOM 39905 H1 TIP3 3073 63.786 65.944 50.554 1.00 0.00 WT3 H ATOM 39906 H2 TIP3 3073 64.324 67.349 50.378 1.00 0.00 WT3 H ATOM 39907 OH2 TIP3 3079 44.856 40.497 36.307 1.00 0.00 WT3 O ATOM 39908 H1 TIP3 3079 45.509 39.801 36.230 1.00 0.00 WT3 H ATOM 39909 H2 TIP3 3079 44.419 40.512 35.456 1.00 0.00 WT3 H ATOM 39910 OH2 TIP3 3080 65.905 59.316 63.582 1.00 0.00 WT3 O ATOM 39911 H1 TIP3 3080 66.492 58.875 62.967 1.00 0.00 WT3 H ATOM 39912 H2 TIP3 3080 65.364 59.883 63.034 1.00 0.00 WT3 H ATOM 39913 OH2 TIP3 3081 57.712 11.078 -16.451 1.00 0.00 WT3 O ATOM 39914 H1 TIP3 3081 58.547 11.096 -16.919 1.00 0.00 WT3 H ATOM 39915 H2 TIP3 3081 57.049 11.099 -17.142 1.00 0.00 WT3 H ATOM 39916 OH2 TIP3 3084 50.683 1.214 12.904 1.00 0.00 WT3 O ATOM 39917 H1 TIP3 3084 50.277 1.918 13.411 1.00 0.00 WT3 H ATOM 39918 H2 TIP3 3084 50.906 0.548 13.554 1.00 0.00 WT3 H ATOM 39919 OH2 TIP3 3085 29.094 76.716 62.732 1.00 0.00 WT3 O ATOM 39920 H1 TIP3 3085 29.374 77.597 62.981 1.00 0.00 WT3 H ATOM 39921 H2 TIP3 3085 28.210 76.634 63.088 1.00 0.00 WT3 H ATOM 39922 OH2 TIP3 3086 48.606 91.889 -15.882 1.00 0.00 WT3 O ATOM 39923 H1 TIP3 3086 48.644 91.816 -16.836 1.00 0.00 WT3 H ATOM 39924 H2 TIP3 3086 49.504 91.728 -15.593 1.00 0.00 WT3 H ATOM 39925 OH2 TIP3 3091 43.266 76.452 -17.101 1.00 0.00 WT3 O ATOM 39926 H1 TIP3 3091 42.872 75.590 -17.235 1.00 0.00 WT3 H ATOM 39927 H2 TIP3 3091 44.086 76.420 -17.593 1.00 0.00 WT3 H ATOM 39928 OH2 TIP3 3092 74.152 76.113 43.404 1.00 0.00 WT3 O ATOM 39929 H1 TIP3 3092 73.873 76.229 42.495 1.00 0.00 WT3 H ATOM 39930 H2 TIP3 3092 74.743 75.360 43.379 1.00 0.00 WT3 H ATOM 39931 OH2 TIP3 3095 77.806 18.894 59.488 1.00 0.00 WT3 O ATOM 39932 H1 TIP3 3095 78.433 19.617 59.495 1.00 0.00 WT3 H ATOM 39933 H2 TIP3 3095 77.329 18.997 58.664 1.00 0.00 WT3 H ATOM 39934 OH2 TIP3 3096 80.660 43.509 -3.386 1.00 0.00 WT3 O ATOM 39935 H1 TIP3 3096 80.081 43.835 -2.697 1.00 0.00 WT3 H ATOM 39936 H2 TIP3 3096 80.788 44.258 -3.967 1.00 0.00 WT3 H ATOM 39937 OH2 TIP3 3099 52.022 82.061 52.773 1.00 0.00 WT3 O ATOM 39938 H1 TIP3 3099 51.136 82.205 52.440 1.00 0.00 WT3 H ATOM 39939 H2 TIP3 3099 52.354 81.323 52.262 1.00 0.00 WT3 H ATOM 39940 OH2 TIP3 3101 79.321 66.267 -8.369 1.00 0.00 WT3 O ATOM 39941 H1 TIP3 3101 79.654 65.718 -7.658 1.00 0.00 WT3 H ATOM 39942 H2 TIP3 3101 78.523 66.659 -8.015 1.00 0.00 WT3 H ATOM 39943 OH2 TIP3 3103 83.430 60.879 45.871 1.00 0.00 WT3 O ATOM 39944 H1 TIP3 3103 83.698 60.179 46.468 1.00 0.00 WT3 H ATOM 39945 H2 TIP3 3103 83.612 60.532 44.998 1.00 0.00 WT3 H ATOM 39946 OH2 TIP3 3104 46.157 87.030 37.954 1.00 0.00 WT3 O ATOM 39947 H1 TIP3 3104 46.457 87.042 38.863 1.00 0.00 WT3 H ATOM 39948 H2 TIP3 3104 46.112 86.101 37.728 1.00 0.00 WT3 H ATOM 39949 OH2 TIP3 3105 54.952 6.549 53.816 1.00 0.00 WT3 O ATOM 39950 H1 TIP3 3105 55.569 5.901 53.477 1.00 0.00 WT3 H ATOM 39951 H2 TIP3 3105 55.409 7.385 53.727 1.00 0.00 WT3 H ATOM 39952 OH2 TIP3 3107 68.775 50.853 -0.443 1.00 0.00 WT3 O ATOM 39953 H1 TIP3 3107 69.024 50.698 0.468 1.00 0.00 WT3 H ATOM 39954 H2 TIP3 3107 67.823 50.948 -0.419 1.00 0.00 WT3 H ATOM 39955 OH2 TIP3 3108 78.554 35.234 -8.017 1.00 0.00 WT3 O ATOM 39956 H1 TIP3 3108 78.476 35.129 -7.069 1.00 0.00 WT3 H ATOM 39957 H2 TIP3 3108 79.490 35.136 -8.193 1.00 0.00 WT3 H ATOM 39958 OH2 TIP3 3109 88.035 8.157 -9.722 1.00 0.00 WT3 O ATOM 39959 H1 TIP3 3109 88.526 8.971 -9.611 1.00 0.00 WT3 H ATOM 39960 H2 TIP3 3109 88.422 7.747 -10.495 1.00 0.00 WT3 H ATOM 39961 OH2 TIP3 3111 71.859 80.527 -19.008 1.00 0.00 WT3 O ATOM 39962 H1 TIP3 3111 72.056 80.480 -18.073 1.00 0.00 WT3 H ATOM 39963 H2 TIP3 3111 72.589 81.021 -19.382 1.00 0.00 WT3 H ATOM 39964 OH2 TIP3 3112 29.533 52.648 -11.636 1.00 0.00 WT3 O ATOM 39965 H1 TIP3 3112 29.828 51.840 -12.057 1.00 0.00 WT3 H ATOM 39966 H2 TIP3 3112 28.896 53.018 -12.247 1.00 0.00 WT3 H ATOM 39967 OH2 TIP3 3113 29.944 64.158 -2.539 1.00 0.00 WT3 O ATOM 39968 H1 TIP3 3113 29.502 64.801 -3.095 1.00 0.00 WT3 H ATOM 39969 H2 TIP3 3113 30.606 64.664 -2.067 1.00 0.00 WT3 H ATOM 39970 OH2 TIP3 3114 62.269 87.318 19.456 1.00 0.00 WT3 O ATOM 39971 H1 TIP3 3114 62.235 87.160 20.399 1.00 0.00 WT3 H ATOM 39972 H2 TIP3 3114 62.268 88.271 19.371 1.00 0.00 WT3 H ATOM 39973 OH2 TIP3 3115 26.289 78.771 -17.143 1.00 0.00 WT3 O ATOM 39974 H1 TIP3 3115 26.864 78.926 -17.892 1.00 0.00 WT3 H ATOM 39975 H2 TIP3 3115 25.495 78.396 -17.524 1.00 0.00 WT3 H ATOM 39976 OH2 TIP3 3116 82.614 43.955 -17.254 1.00 0.00 WT3 O ATOM 39977 H1 TIP3 3116 81.887 44.474 -17.599 1.00 0.00 WT3 H ATOM 39978 H2 TIP3 3116 83.135 43.730 -18.025 1.00 0.00 WT3 H ATOM 39979 OH2 TIP3 3119 71.917 84.108 14.977 1.00 0.00 WT3 O ATOM 39980 H1 TIP3 3119 71.279 83.960 14.279 1.00 0.00 WT3 H ATOM 39981 H2 TIP3 3119 72.035 85.058 14.998 1.00 0.00 WT3 H ATOM 39982 OH2 TIP3 3121 77.859 8.247 -3.093 1.00 0.00 WT3 O ATOM 39983 H1 TIP3 3121 77.699 8.075 -2.166 1.00 0.00 WT3 H ATOM 39984 H2 TIP3 3121 77.900 9.201 -3.157 1.00 0.00 WT3 H ATOM 39985 OH2 TIP3 3124 50.828 15.940 10.463 1.00 0.00 WT3 O ATOM 39986 H1 TIP3 3124 51.360 16.691 10.727 1.00 0.00 WT3 H ATOM 39987 H2 TIP3 3124 50.829 15.365 11.228 1.00 0.00 WT3 H ATOM 39988 OH2 TIP3 3129 26.407 86.598 -15.178 1.00 0.00 WT3 O ATOM 39989 H1 TIP3 3129 26.256 87.489 -14.861 1.00 0.00 WT3 H ATOM 39990 H2 TIP3 3129 25.561 86.162 -15.081 1.00 0.00 WT3 H ATOM 39991 OH2 TIP3 3131 40.667 8.658 11.370 1.00 0.00 WT3 O ATOM 39992 H1 TIP3 3131 41.273 9.023 12.015 1.00 0.00 WT3 H ATOM 39993 H2 TIP3 3131 39.803 8.954 11.658 1.00 0.00 WT3 H ATOM 39994 OH2 TIP3 3133 35.443 77.002 -5.528 1.00 0.00 WT3 O ATOM 39995 H1 TIP3 3133 35.635 76.881 -6.458 1.00 0.00 WT3 H ATOM 39996 H2 TIP3 3133 36.130 77.591 -5.216 1.00 0.00 WT3 H ATOM 39997 OH2 TIP3 3134 33.383 0.211 60.053 1.00 0.00 WT3 O ATOM 39998 H1 TIP3 3134 33.622 -0.531 59.499 1.00 0.00 WT3 H ATOM 39999 H2 TIP3 3134 33.944 0.926 59.751 1.00 0.00 WT3 H ATOM 40000 OH2 TIP3 3136 31.207 84.728 42.665 1.00 0.00 WT3 O ATOM 40001 H1 TIP3 3136 31.534 84.190 41.944 1.00 0.00 WT3 H ATOM 40002 H2 TIP3 3136 30.875 84.098 43.304 1.00 0.00 WT3 H ATOM 40003 OH2 TIP3 3138 31.128 64.811 15.641 1.00 0.00 WT3 O ATOM 40004 H1 TIP3 3138 31.485 65.588 15.210 1.00 0.00 WT3 H ATOM 40005 H2 TIP3 3138 31.447 64.869 16.542 1.00 0.00 WT3 H ATOM 40006 OH2 TIP3 3139 20.455 14.077 -14.010 1.00 0.00 WT3 O ATOM 40007 H1 TIP3 3139 20.560 13.186 -14.343 1.00 0.00 WT3 H ATOM 40008 H2 TIP3 3139 20.453 13.979 -13.058 1.00 0.00 WT3 H ATOM 40009 OH2 TIP3 3140 30.034 57.563 62.969 1.00 0.00 WT3 O ATOM 40010 H1 TIP3 3140 29.797 56.991 63.699 1.00 0.00 WT3 H ATOM 40011 H2 TIP3 3140 29.336 57.434 62.327 1.00 0.00 WT3 H ATOM 40012 OH2 TIP3 3141 53.490 59.516 13.085 1.00 0.00 WT3 O ATOM 40013 H1 TIP3 3141 53.466 59.068 13.931 1.00 0.00 WT3 H ATOM 40014 H2 TIP3 3141 54.419 59.683 12.929 1.00 0.00 WT3 H ATOM 40015 OH2 TIP3 3143 72.552 78.092 -0.713 1.00 0.00 WT3 O ATOM 40016 H1 TIP3 3143 71.701 78.411 -0.413 1.00 0.00 WT3 H ATOM 40017 H2 TIP3 3143 72.879 77.561 0.014 1.00 0.00 WT3 H ATOM 40018 OH2 TIP3 3144 65.819 67.085 34.077 1.00 0.00 WT3 O ATOM 40019 H1 TIP3 3144 64.932 67.443 34.081 1.00 0.00 WT3 H ATOM 40020 H2 TIP3 3144 65.712 66.181 33.781 1.00 0.00 WT3 H ATOM 40021 OH2 TIP3 3150 62.811 50.543 7.039 1.00 0.00 WT3 O ATOM 40022 H1 TIP3 3150 63.373 49.960 7.551 1.00 0.00 WT3 H ATOM 40023 H2 TIP3 3150 62.250 50.966 7.689 1.00 0.00 WT3 H ATOM 40024 OH2 TIP3 3152 60.699 69.424 56.536 1.00 0.00 WT3 O ATOM 40025 H1 TIP3 3152 61.172 68.835 55.947 1.00 0.00 WT3 H ATOM 40026 H2 TIP3 3152 59.878 68.968 56.722 1.00 0.00 WT3 H ATOM 40027 OH2 TIP3 3154 69.615 94.118 5.469 1.00 0.00 WT3 O ATOM 40028 H1 TIP3 3154 68.819 94.480 5.858 1.00 0.00 WT3 H ATOM 40029 H2 TIP3 3154 69.513 93.170 5.554 1.00 0.00 WT3 H ATOM 40030 OH2 TIP3 3155 62.624 9.641 38.596 1.00 0.00 WT3 O ATOM 40031 H1 TIP3 3155 62.361 9.468 39.500 1.00 0.00 WT3 H ATOM 40032 H2 TIP3 3155 62.643 10.596 38.530 1.00 0.00 WT3 H ATOM 40033 OH2 TIP3 3156 28.775 68.090 -1.147 1.00 0.00 WT3 O ATOM 40034 H1 TIP3 3156 29.171 67.414 -0.598 1.00 0.00 WT3 H ATOM 40035 H2 TIP3 3156 28.708 68.855 -0.576 1.00 0.00 WT3 H ATOM 40036 OH2 TIP3 3157 24.289 31.819 -12.830 1.00 0.00 WT3 O ATOM 40037 H1 TIP3 3157 24.473 32.463 -12.147 1.00 0.00 WT3 H ATOM 40038 H2 TIP3 3157 25.029 31.890 -13.432 1.00 0.00 WT3 H ATOM 40039 OH2 TIP3 3158 41.678 48.198 0.761 1.00 0.00 WT3 O ATOM 40040 H1 TIP3 3158 41.190 47.639 1.366 1.00 0.00 WT3 H ATOM 40041 H2 TIP3 3158 41.889 48.979 1.273 1.00 0.00 WT3 H ATOM 40042 OH2 TIP3 3160 37.354 57.934 16.620 1.00 0.00 WT3 O ATOM 40043 H1 TIP3 3160 37.495 57.165 17.172 1.00 0.00 WT3 H ATOM 40044 H2 TIP3 3160 37.888 58.619 17.022 1.00 0.00 WT3 H ATOM 40045 OH2 TIP3 3161 80.902 45.364 17.132 1.00 0.00 WT3 O ATOM 40046 H1 TIP3 3161 80.136 44.830 17.342 1.00 0.00 WT3 H ATOM 40047 H2 TIP3 3161 80.733 46.205 17.558 1.00 0.00 WT3 H ATOM 40048 OH2 TIP3 3162 82.720 40.304 57.176 1.00 0.00 WT3 O ATOM 40049 H1 TIP3 3162 82.868 40.302 58.122 1.00 0.00 WT3 H ATOM 40050 H2 TIP3 3162 83.241 41.039 56.853 1.00 0.00 WT3 H ATOM 40051 OH2 TIP3 3164 41.344 7.931 -2.510 1.00 0.00 WT3 O ATOM 40052 H1 TIP3 3164 40.952 7.059 -2.566 1.00 0.00 WT3 H ATOM 40053 H2 TIP3 3164 40.602 8.519 -2.371 1.00 0.00 WT3 H ATOM 40054 OH2 TIP3 3167 61.723 29.723 49.619 1.00 0.00 WT3 O ATOM 40055 H1 TIP3 3167 60.851 29.666 49.229 1.00 0.00 WT3 H ATOM 40056 H2 TIP3 3167 61.603 30.268 50.397 1.00 0.00 WT3 H ATOM 40057 OH2 TIP3 3169 33.882 14.413 12.414 1.00 0.00 WT3 O ATOM 40058 H1 TIP3 3169 33.590 14.550 13.316 1.00 0.00 WT3 H ATOM 40059 H2 TIP3 3169 34.817 14.221 12.492 1.00 0.00 WT3 H ATOM 40060 OH2 TIP3 3173 60.693 5.315 -8.798 1.00 0.00 WT3 O ATOM 40061 H1 TIP3 3173 59.741 5.350 -8.893 1.00 0.00 WT3 H ATOM 40062 H2 TIP3 3173 60.944 4.487 -9.208 1.00 0.00 WT3 H ATOM 40063 OH2 TIP3 3174 70.435 73.342 22.377 1.00 0.00 WT3 O ATOM 40064 H1 TIP3 3174 69.531 73.365 22.063 1.00 0.00 WT3 H ATOM 40065 H2 TIP3 3174 70.579 72.430 22.628 1.00 0.00 WT3 H ATOM 40066 OH2 TIP3 3175 72.829 19.281 13.708 1.00 0.00 WT3 O ATOM 40067 H1 TIP3 3175 72.704 19.704 14.558 1.00 0.00 WT3 H ATOM 40068 H2 TIP3 3175 72.185 18.574 13.694 1.00 0.00 WT3 H ATOM 40069 OH2 TIP3 3176 23.692 28.859 2.797 1.00 0.00 WT3 O ATOM 40070 H1 TIP3 3176 23.021 28.615 2.159 1.00 0.00 WT3 H ATOM 40071 H2 TIP3 3176 23.412 29.714 3.124 1.00 0.00 WT3 H ATOM 40072 OH2 TIP3 3177 64.709 60.886 17.680 1.00 0.00 WT3 O ATOM 40073 H1 TIP3 3177 63.908 60.736 18.183 1.00 0.00 WT3 H ATOM 40074 H2 TIP3 3177 64.402 61.157 16.815 1.00 0.00 WT3 H ATOM 40075 OH2 TIP3 3178 43.667 55.954 2.763 1.00 0.00 WT3 O ATOM 40076 H1 TIP3 3178 44.572 55.955 3.073 1.00 0.00 WT3 H ATOM 40077 H2 TIP3 3178 43.203 56.530 3.371 1.00 0.00 WT3 H ATOM 40078 OH2 TIP3 3179 42.694 86.027 -12.468 1.00 0.00 WT3 O ATOM 40079 H1 TIP3 3179 42.761 85.112 -12.194 1.00 0.00 WT3 H ATOM 40080 H2 TIP3 3179 41.782 86.262 -12.298 1.00 0.00 WT3 H ATOM 40081 OH2 TIP3 3180 45.112 3.524 10.480 1.00 0.00 WT3 O ATOM 40082 H1 TIP3 3180 45.094 4.468 10.326 1.00 0.00 WT3 H ATOM 40083 H2 TIP3 3180 45.156 3.436 11.432 1.00 0.00 WT3 H ATOM 40084 OH2 TIP3 3181 25.698 70.808 51.322 1.00 0.00 WT3 O ATOM 40085 H1 TIP3 3181 25.774 71.150 50.431 1.00 0.00 WT3 H ATOM 40086 H2 TIP3 3181 24.934 70.233 51.295 1.00 0.00 WT3 H ATOM 40087 OH2 TIP3 3182 70.219 56.101 -12.809 1.00 0.00 WT3 O ATOM 40088 H1 TIP3 3182 69.527 56.761 -12.783 1.00 0.00 WT3 H ATOM 40089 H2 TIP3 3182 69.982 55.533 -13.542 1.00 0.00 WT3 H ATOM 40090 OH2 TIP3 3184 36.173 73.208 55.589 1.00 0.00 WT3 O ATOM 40091 H1 TIP3 3184 36.990 73.604 55.891 1.00 0.00 WT3 H ATOM 40092 H2 TIP3 3184 35.511 73.885 55.735 1.00 0.00 WT3 H ATOM 40093 OH2 TIP3 3185 59.770 80.805 7.481 1.00 0.00 WT3 O ATOM 40094 H1 TIP3 3185 59.155 80.102 7.273 1.00 0.00 WT3 H ATOM 40095 H2 TIP3 3185 60.589 80.355 7.688 1.00 0.00 WT3 H ATOM 40096 OH2 TIP3 3187 79.606 77.408 14.521 1.00 0.00 WT3 O ATOM 40097 H1 TIP3 3187 78.740 77.039 14.350 1.00 0.00 WT3 H ATOM 40098 H2 TIP3 3187 80.057 76.736 15.031 1.00 0.00 WT3 H ATOM 40099 OH2 TIP3 3188 64.625 73.314 5.494 1.00 0.00 WT3 O ATOM 40100 H1 TIP3 3188 65.410 73.020 5.957 1.00 0.00 WT3 H ATOM 40101 H2 TIP3 3188 64.038 72.558 5.513 1.00 0.00 WT3 H ATOM 40102 OH2 TIP3 3189 80.312 87.309 18.740 1.00 0.00 WT3 O ATOM 40103 H1 TIP3 3189 80.564 86.389 18.664 1.00 0.00 WT3 H ATOM 40104 H2 TIP3 3189 80.254 87.466 19.682 1.00 0.00 WT3 H ATOM 40105 OH2 TIP3 3192 54.553 18.888 65.770 1.00 0.00 WT3 O ATOM 40106 H1 TIP3 3192 54.693 19.826 65.638 1.00 0.00 WT3 H ATOM 40107 H2 TIP3 3192 54.439 18.536 64.887 1.00 0.00 WT3 H ATOM 40108 OH2 TIP3 3193 57.279 80.645 11.400 1.00 0.00 WT3 O ATOM 40109 H1 TIP3 3193 56.841 79.875 11.037 1.00 0.00 WT3 H ATOM 40110 H2 TIP3 3193 57.691 80.331 12.204 1.00 0.00 WT3 H ATOM 40111 OH2 TIP3 3194 27.725 25.499 13.263 1.00 0.00 WT3 O ATOM 40112 H1 TIP3 3194 27.005 25.117 13.764 1.00 0.00 WT3 H ATOM 40113 H2 TIP3 3194 27.317 26.197 12.750 1.00 0.00 WT3 H ATOM 40114 OH2 TIP3 3195 81.467 64.456 -2.085 1.00 0.00 WT3 O ATOM 40115 H1 TIP3 3195 82.047 63.803 -2.476 1.00 0.00 WT3 H ATOM 40116 H2 TIP3 3195 81.159 64.049 -1.275 1.00 0.00 WT3 H ATOM 40117 OH2 TIP3 3196 55.541 8.331 7.282 1.00 0.00 WT3 O ATOM 40118 H1 TIP3 3196 55.080 7.937 8.023 1.00 0.00 WT3 H ATOM 40119 H2 TIP3 3196 55.010 8.103 6.519 1.00 0.00 WT3 H ATOM 40120 OH2 TIP3 3198 84.919 64.286 36.754 1.00 0.00 WT3 O ATOM 40121 H1 TIP3 3198 84.014 64.109 37.008 1.00 0.00 WT3 H ATOM 40122 H2 TIP3 3198 84.973 64.001 35.842 1.00 0.00 WT3 H ATOM 40123 OH2 TIP3 3200 25.865 81.410 -2.961 1.00 0.00 WT3 O ATOM 40124 H1 TIP3 3200 26.182 82.182 -3.431 1.00 0.00 WT3 H ATOM 40125 H2 TIP3 3200 26.622 80.826 -2.921 1.00 0.00 WT3 H ATOM 40126 OH2 TIP3 3201 62.643 11.683 -14.095 1.00 0.00 WT3 O ATOM 40127 H1 TIP3 3201 62.764 12.632 -14.136 1.00 0.00 WT3 H ATOM 40128 H2 TIP3 3201 63.255 11.392 -13.419 1.00 0.00 WT3 H ATOM 40129 OH2 TIP3 3202 55.188 72.244 -6.347 1.00 0.00 WT3 O ATOM 40130 H1 TIP3 3202 55.568 72.230 -5.469 1.00 0.00 WT3 H ATOM 40131 H2 TIP3 3202 54.416 72.804 -6.264 1.00 0.00 WT3 H ATOM 40132 OH2 TIP3 3203 60.097 0.563 47.971 1.00 0.00 WT3 O ATOM 40133 H1 TIP3 3203 59.220 0.681 48.336 1.00 0.00 WT3 H ATOM 40134 H2 TIP3 3203 60.678 0.582 48.731 1.00 0.00 WT3 H ATOM 40135 OH2 TIP3 3204 64.162 45.162 4.781 1.00 0.00 WT3 O ATOM 40136 H1 TIP3 3204 63.346 45.310 5.259 1.00 0.00 WT3 H ATOM 40137 H2 TIP3 3204 63.995 44.379 4.256 1.00 0.00 WT3 H ATOM 40138 OH2 TIP3 3205 61.189 24.609 64.660 1.00 0.00 WT3 O ATOM 40139 H1 TIP3 3205 60.339 24.562 64.222 1.00 0.00 WT3 H ATOM 40140 H2 TIP3 3205 61.553 25.451 64.388 1.00 0.00 WT3 H ATOM 40141 OH2 TIP3 3206 42.636 40.977 6.892 1.00 0.00 WT3 O ATOM 40142 H1 TIP3 3206 43.381 41.431 7.286 1.00 0.00 WT3 H ATOM 40143 H2 TIP3 3206 42.088 40.724 7.635 1.00 0.00 WT3 H ATOM 40144 OH2 TIP3 3208 48.242 96.231 38.910 1.00 0.00 WT3 O ATOM 40145 H1 TIP3 3208 47.984 95.963 38.029 1.00 0.00 WT3 H ATOM 40146 H2 TIP3 3208 47.418 96.296 39.393 1.00 0.00 WT3 H ATOM 40147 OH2 TIP3 3209 84.893 77.590 34.419 1.00 0.00 WT3 O ATOM 40148 H1 TIP3 3209 84.390 78.183 33.861 1.00 0.00 WT3 H ATOM 40149 H2 TIP3 3209 85.656 77.352 33.892 1.00 0.00 WT3 H ATOM 40150 OH2 TIP3 3210 25.322 84.019 55.922 1.00 0.00 WT3 O ATOM 40151 H1 TIP3 3210 24.960 84.769 56.393 1.00 0.00 WT3 H ATOM 40152 H2 TIP3 3210 24.578 83.652 55.445 1.00 0.00 WT3 H ATOM 40153 OH2 TIP3 3211 68.949 19.554 64.328 1.00 0.00 WT3 O ATOM 40154 H1 TIP3 3211 68.799 18.874 63.671 1.00 0.00 WT3 H ATOM 40155 H2 TIP3 3211 68.895 20.376 63.840 1.00 0.00 WT3 H ATOM 40156 OH2 TIP3 3212 65.294 43.881 47.463 1.00 0.00 WT3 O ATOM 40157 H1 TIP3 3212 65.024 43.264 48.144 1.00 0.00 WT3 H ATOM 40158 H2 TIP3 3212 65.716 43.336 46.799 1.00 0.00 WT3 H ATOM 40159 OH2 TIP3 3213 22.142 60.334 56.651 1.00 0.00 WT3 O ATOM 40160 H1 TIP3 3213 22.332 59.729 57.368 1.00 0.00 WT3 H ATOM 40161 H2 TIP3 3213 22.975 60.772 56.479 1.00 0.00 WT3 H ATOM 40162 OH2 TIP3 3214 60.387 77.324 42.743 1.00 0.00 WT3 O ATOM 40163 H1 TIP3 3214 61.291 77.028 42.640 1.00 0.00 WT3 H ATOM 40164 H2 TIP3 3214 59.980 76.663 43.304 1.00 0.00 WT3 H ATOM 40165 OH2 TIP3 3215 39.627 20.670 -8.378 1.00 0.00 WT3 O ATOM 40166 H1 TIP3 3215 40.117 21.492 -8.385 1.00 0.00 WT3 H ATOM 40167 H2 TIP3 3215 39.491 20.479 -7.450 1.00 0.00 WT3 H ATOM 40168 OH2 TIP3 3216 87.817 63.030 20.216 1.00 0.00 WT3 O ATOM 40169 H1 TIP3 3216 87.682 62.915 19.275 1.00 0.00 WT3 H ATOM 40170 H2 TIP3 3216 88.647 62.587 20.395 1.00 0.00 WT3 H ATOM 40171 OH2 TIP3 3218 51.271 43.047 0.778 1.00 0.00 WT3 O ATOM 40172 H1 TIP3 3218 50.953 43.461 1.579 1.00 0.00 WT3 H ATOM 40173 H2 TIP3 3218 52.088 42.619 1.036 1.00 0.00 WT3 H ATOM 40174 OH2 TIP3 3219 72.100 72.617 20.242 1.00 0.00 WT3 O ATOM 40175 H1 TIP3 3219 71.984 71.679 20.393 1.00 0.00 WT3 H ATOM 40176 H2 TIP3 3219 71.466 73.034 20.826 1.00 0.00 WT3 H ATOM 40177 OH2 TIP3 3221 26.785 90.521 -8.908 1.00 0.00 WT3 O ATOM 40178 H1 TIP3 3221 25.867 90.522 -9.178 1.00 0.00 WT3 H ATOM 40179 H2 TIP3 3221 26.967 89.610 -8.678 1.00 0.00 WT3 H ATOM 40180 OH2 TIP3 3222 54.220 80.566 64.215 1.00 0.00 WT3 O ATOM 40181 H1 TIP3 3222 54.369 80.773 65.138 1.00 0.00 WT3 H ATOM 40182 H2 TIP3 3222 54.905 79.934 63.998 1.00 0.00 WT3 H ATOM 40183 OH2 TIP3 3223 44.027 47.988 12.177 1.00 0.00 WT3 O ATOM 40184 H1 TIP3 3223 44.756 47.890 12.790 1.00 0.00 WT3 H ATOM 40185 H2 TIP3 3223 43.283 48.233 12.727 1.00 0.00 WT3 H ATOM 40186 OH2 TIP3 3224 88.948 6.910 -11.858 1.00 0.00 WT3 O ATOM 40187 H1 TIP3 3224 89.485 7.137 -12.617 1.00 0.00 WT3 H ATOM 40188 H2 TIP3 3224 88.979 5.954 -11.819 1.00 0.00 WT3 H ATOM 40189 OH2 TIP3 3225 58.944 47.226 60.611 1.00 0.00 WT3 O ATOM 40190 H1 TIP3 3225 58.898 46.584 61.320 1.00 0.00 WT3 H ATOM 40191 H2 TIP3 3225 58.188 47.795 60.753 1.00 0.00 WT3 H ATOM 40192 OH2 TIP3 3227 51.353 64.218 -6.506 1.00 0.00 WT3 O ATOM 40193 H1 TIP3 3227 51.706 65.095 -6.358 1.00 0.00 WT3 H ATOM 40194 H2 TIP3 3227 50.405 64.342 -6.535 1.00 0.00 WT3 H ATOM 40195 OH2 TIP3 3228 82.421 70.989 18.043 1.00 0.00 WT3 O ATOM 40196 H1 TIP3 3228 82.016 71.690 18.555 1.00 0.00 WT3 H ATOM 40197 H2 TIP3 3228 82.134 70.182 18.472 1.00 0.00 WT3 H ATOM 40198 OH2 TIP3 3229 53.008 30.492 39.658 1.00 0.00 WT3 O ATOM 40199 H1 TIP3 3229 53.791 31.041 39.611 1.00 0.00 WT3 H ATOM 40200 H2 TIP3 3229 53.322 29.610 39.455 1.00 0.00 WT3 H ATOM 40201 OH2 TIP3 3230 57.274 54.448 23.710 1.00 0.00 WT3 O ATOM 40202 H1 TIP3 3230 56.509 54.298 23.155 1.00 0.00 WT3 H ATOM 40203 H2 TIP3 3230 56.917 54.825 24.513 1.00 0.00 WT3 H ATOM 40204 OH2 TIP3 3231 53.217 70.826 49.815 1.00 0.00 WT3 O ATOM 40205 H1 TIP3 3231 52.395 70.515 49.434 1.00 0.00 WT3 H ATOM 40206 H2 TIP3 3231 53.777 71.007 49.060 1.00 0.00 WT3 H ATOM 40207 OH2 TIP3 3232 67.221 57.161 58.718 1.00 0.00 WT3 O ATOM 40208 H1 TIP3 3232 66.318 57.018 59.002 1.00 0.00 WT3 H ATOM 40209 H2 TIP3 3232 67.170 57.913 58.128 1.00 0.00 WT3 H ATOM 40210 OH2 TIP3 3233 46.231 92.375 -8.157 1.00 0.00 WT3 O ATOM 40211 H1 TIP3 3233 45.421 92.446 -7.653 1.00 0.00 WT3 H ATOM 40212 H2 TIP3 3233 46.912 92.693 -7.563 1.00 0.00 WT3 H ATOM 40213 OH2 TIP3 3234 31.237 3.601 45.659 1.00 0.00 WT3 O ATOM 40214 H1 TIP3 3234 31.333 4.330 45.046 1.00 0.00 WT3 H ATOM 40215 H2 TIP3 3234 32.076 3.561 46.117 1.00 0.00 WT3 H ATOM 40216 OH2 TIP3 3235 40.413 90.226 30.662 1.00 0.00 WT3 O ATOM 40217 H1 TIP3 3235 39.925 89.892 31.414 1.00 0.00 WT3 H ATOM 40218 H2 TIP3 3235 40.513 89.468 30.085 1.00 0.00 WT3 H ATOM 40219 OH2 TIP3 3236 70.611 64.712 36.420 1.00 0.00 WT3 O ATOM 40220 H1 TIP3 3236 70.759 64.853 35.485 1.00 0.00 WT3 H ATOM 40221 H2 TIP3 3236 69.661 64.631 36.503 1.00 0.00 WT3 H ATOM 40222 OH2 TIP3 3237 60.180 5.735 31.720 1.00 0.00 WT3 O ATOM 40223 H1 TIP3 3237 60.540 5.106 31.094 1.00 0.00 WT3 H ATOM 40224 H2 TIP3 3237 59.359 5.340 32.012 1.00 0.00 WT3 H ATOM 40225 OH2 TIP3 3238 70.241 82.016 43.183 1.00 0.00 WT3 O ATOM 40226 H1 TIP3 3238 69.584 82.712 43.208 1.00 0.00 WT3 H ATOM 40227 H2 TIP3 3238 70.663 82.055 44.042 1.00 0.00 WT3 H ATOM 40228 OH2 TIP3 3240 57.060 2.597 66.248 1.00 0.00 WT3 O ATOM 40229 H1 TIP3 3240 57.677 3.097 65.714 1.00 0.00 WT3 H ATOM 40230 H2 TIP3 3240 56.643 3.251 66.809 1.00 0.00 WT3 H ATOM 40231 OH2 TIP3 3242 48.587 18.420 5.971 1.00 0.00 WT3 O ATOM 40232 H1 TIP3 3242 47.857 18.410 6.591 1.00 0.00 WT3 H ATOM 40233 H2 TIP3 3242 48.921 17.523 5.979 1.00 0.00 WT3 H ATOM 40234 OH2 TIP3 3244 55.804 76.703 -17.464 1.00 0.00 WT3 O ATOM 40235 H1 TIP3 3244 55.039 77.217 -17.723 1.00 0.00 WT3 H ATOM 40236 H2 TIP3 3244 56.209 77.212 -16.762 1.00 0.00 WT3 H ATOM 40237 OH2 TIP3 3245 25.158 58.480 45.868 1.00 0.00 WT3 O ATOM 40238 H1 TIP3 3245 25.374 57.869 46.573 1.00 0.00 WT3 H ATOM 40239 H2 TIP3 3245 25.263 57.968 45.066 1.00 0.00 WT3 H ATOM 40240 OH2 TIP3 3246 36.970 83.904 23.172 1.00 0.00 WT3 O ATOM 40241 H1 TIP3 3246 37.550 84.376 22.575 1.00 0.00 WT3 H ATOM 40242 H2 TIP3 3246 36.089 84.175 22.915 1.00 0.00 WT3 H ATOM 40243 OH2 TIP3 3247 22.192 12.090 41.310 1.00 0.00 WT3 O ATOM 40244 H1 TIP3 3247 22.980 11.557 41.419 1.00 0.00 WT3 H ATOM 40245 H2 TIP3 3247 22.399 12.917 41.745 1.00 0.00 WT3 H ATOM 40246 OH2 TIP3 3248 40.779 94.022 13.786 1.00 0.00 WT3 O ATOM 40247 H1 TIP3 3248 40.907 93.153 13.407 1.00 0.00 WT3 H ATOM 40248 H2 TIP3 3248 39.983 94.351 13.369 1.00 0.00 WT3 H ATOM 40249 OH2 TIP3 3249 66.881 66.632 36.886 1.00 0.00 WT3 O ATOM 40250 H1 TIP3 3249 65.993 66.316 37.052 1.00 0.00 WT3 H ATOM 40251 H2 TIP3 3249 66.829 67.055 36.029 1.00 0.00 WT3 H ATOM 40252 OH2 TIP3 3250 37.148 4.094 51.462 1.00 0.00 WT3 O ATOM 40253 H1 TIP3 3250 36.582 4.113 52.234 1.00 0.00 WT3 H ATOM 40254 H2 TIP3 3250 38.002 4.385 51.783 1.00 0.00 WT3 H ATOM 40255 OH2 TIP3 3251 39.530 96.621 11.435 1.00 0.00 WT3 O ATOM 40256 H1 TIP3 3251 40.247 96.667 10.803 1.00 0.00 WT3 H ATOM 40257 H2 TIP3 3251 39.939 96.825 12.277 1.00 0.00 WT3 H ATOM 40258 OH2 TIP3 3252 65.552 1.199 61.633 1.00 0.00 WT3 O ATOM 40259 H1 TIP3 3252 65.467 1.372 62.571 1.00 0.00 WT3 H ATOM 40260 H2 TIP3 3252 65.075 0.380 61.496 1.00 0.00 WT3 H ATOM 40261 OH2 TIP3 3253 56.241 76.073 -4.959 1.00 0.00 WT3 O ATOM 40262 H1 TIP3 3253 55.966 75.314 -4.445 1.00 0.00 WT3 H ATOM 40263 H2 TIP3 3253 56.092 75.814 -5.868 1.00 0.00 WT3 H ATOM 40264 OH2 TIP3 3254 48.553 89.017 37.222 1.00 0.00 WT3 O ATOM 40265 H1 TIP3 3254 48.360 88.409 37.935 1.00 0.00 WT3 H ATOM 40266 H2 TIP3 3254 48.277 88.555 36.431 1.00 0.00 WT3 H ATOM 40267 OH2 TIP3 3255 37.209 62.644 48.442 1.00 0.00 WT3 O ATOM 40268 H1 TIP3 3255 37.725 63.437 48.296 1.00 0.00 WT3 H ATOM 40269 H2 TIP3 3255 37.738 61.941 48.064 1.00 0.00 WT3 H ATOM 40270 OH2 TIP3 3256 36.197 14.526 33.342 1.00 0.00 WT3 O ATOM 40271 H1 TIP3 3256 37.123 14.769 33.329 1.00 0.00 WT3 H ATOM 40272 H2 TIP3 3256 35.734 15.352 33.483 1.00 0.00 WT3 H ATOM 40273 OH2 TIP3 3257 51.662 34.740 -8.878 1.00 0.00 WT3 O ATOM 40274 H1 TIP3 3257 51.141 34.179 -8.303 1.00 0.00 WT3 H ATOM 40275 H2 TIP3 3257 52.531 34.753 -8.477 1.00 0.00 WT3 H ATOM 40276 OH2 TIP3 3258 87.745 70.156 43.483 1.00 0.00 WT3 O ATOM 40277 H1 TIP3 3258 87.138 70.013 42.757 1.00 0.00 WT3 H ATOM 40278 H2 TIP3 3258 88.606 69.952 43.120 1.00 0.00 WT3 H ATOM 40279 OH2 TIP3 3259 83.815 11.832 38.023 1.00 0.00 WT3 O ATOM 40280 H1 TIP3 3259 84.125 12.676 37.694 1.00 0.00 WT3 H ATOM 40281 H2 TIP3 3259 83.667 11.308 37.235 1.00 0.00 WT3 H ATOM 40282 OH2 TIP3 3261 40.398 71.353 24.880 1.00 0.00 WT3 O ATOM 40283 H1 TIP3 3261 41.352 71.286 24.920 1.00 0.00 WT3 H ATOM 40284 H2 TIP3 3261 40.127 70.610 24.341 1.00 0.00 WT3 H ATOM 40285 OH2 TIP3 3262 71.639 72.417 44.903 1.00 0.00 WT3 O ATOM 40286 H1 TIP3 3262 72.340 71.767 44.862 1.00 0.00 WT3 H ATOM 40287 H2 TIP3 3262 71.507 72.685 43.993 1.00 0.00 WT3 H ATOM 40288 OH2 TIP3 3263 42.649 3.923 -16.750 1.00 0.00 WT3 O ATOM 40289 H1 TIP3 3263 42.440 4.768 -16.353 1.00 0.00 WT3 H ATOM 40290 H2 TIP3 3263 41.843 3.413 -16.668 1.00 0.00 WT3 H ATOM 40291 OH2 TIP3 3266 30.695 1.964 10.799 1.00 0.00 WT3 O ATOM 40292 H1 TIP3 3266 30.245 1.135 10.634 1.00 0.00 WT3 H ATOM 40293 H2 TIP3 3266 31.560 1.850 10.405 1.00 0.00 WT3 H ATOM 40294 OH2 TIP3 3268 78.727 77.741 22.890 1.00 0.00 WT3 O ATOM 40295 H1 TIP3 3268 78.963 76.987 23.430 1.00 0.00 WT3 H ATOM 40296 H2 TIP3 3268 78.520 78.432 23.520 1.00 0.00 WT3 H ATOM 40297 OH2 TIP3 3269 53.279 59.534 10.304 1.00 0.00 WT3 O ATOM 40298 H1 TIP3 3269 52.976 59.404 11.202 1.00 0.00 WT3 H ATOM 40299 H2 TIP3 3269 53.882 58.808 10.146 1.00 0.00 WT3 H ATOM 40300 OH2 TIP3 3271 22.370 21.105 11.426 1.00 0.00 WT3 O ATOM 40301 H1 TIP3 3271 22.535 20.730 12.291 1.00 0.00 WT3 H ATOM 40302 H2 TIP3 3271 22.844 20.534 10.822 1.00 0.00 WT3 H ATOM 40303 OH2 TIP3 3272 27.485 84.040 -10.159 1.00 0.00 WT3 O ATOM 40304 H1 TIP3 3272 26.711 83.724 -9.692 1.00 0.00 WT3 H ATOM 40305 H2 TIP3 3272 27.147 84.360 -10.995 1.00 0.00 WT3 H ATOM 40306 OH2 TIP3 3273 40.554 1.949 16.693 1.00 0.00 WT3 O ATOM 40307 H1 TIP3 3273 40.249 1.917 17.600 1.00 0.00 WT3 H ATOM 40308 H2 TIP3 3273 40.534 1.037 16.401 1.00 0.00 WT3 H ATOM 40309 OH2 TIP3 3274 72.045 16.576 56.747 1.00 0.00 WT3 O ATOM 40310 H1 TIP3 3274 71.720 15.995 56.058 1.00 0.00 WT3 H ATOM 40311 H2 TIP3 3274 72.666 17.152 56.301 1.00 0.00 WT3 H ATOM 40312 OH2 TIP3 3280 21.683 75.941 -13.211 1.00 0.00 WT3 O ATOM 40313 H1 TIP3 3280 22.101 75.764 -12.368 1.00 0.00 WT3 H ATOM 40314 H2 TIP3 3280 20.759 75.733 -13.069 1.00 0.00 WT3 H ATOM 40315 OH2 TIP3 3282 89.477 56.364 1.843 1.00 0.00 WT3 O ATOM 40316 H1 TIP3 3282 90.210 56.978 1.885 1.00 0.00 WT3 H ATOM 40317 H2 TIP3 3282 89.439 56.098 0.924 1.00 0.00 WT3 H ATOM 40318 OH2 TIP3 3286 46.090 32.062 -8.160 1.00 0.00 WT3 O ATOM 40319 H1 TIP3 3286 46.328 32.698 -7.486 1.00 0.00 WT3 H ATOM 40320 H2 TIP3 3286 46.788 31.408 -8.130 1.00 0.00 WT3 H ATOM 40321 OH2 TIP3 3287 24.671 74.470 3.428 1.00 0.00 WT3 O ATOM 40322 H1 TIP3 3287 24.574 75.143 2.754 1.00 0.00 WT3 H ATOM 40323 H2 TIP3 3287 25.297 74.842 4.050 1.00 0.00 WT3 H ATOM 40324 OH2 TIP3 3291 62.076 81.884 2.901 1.00 0.00 WT3 O ATOM 40325 H1 TIP3 3291 61.882 81.550 3.777 1.00 0.00 WT3 H ATOM 40326 H2 TIP3 3291 61.515 81.372 2.319 1.00 0.00 WT3 H ATOM 40327 OH2 TIP3 3292 51.118 85.343 59.675 1.00 0.00 WT3 O ATOM 40328 H1 TIP3 3292 50.821 84.721 59.010 1.00 0.00 WT3 H ATOM 40329 H2 TIP3 3292 50.376 85.935 59.798 1.00 0.00 WT3 H ATOM 40330 OH2 TIP3 3293 82.943 13.806 2.390 1.00 0.00 WT3 O ATOM 40331 H1 TIP3 3293 82.512 14.365 3.037 1.00 0.00 WT3 H ATOM 40332 H2 TIP3 3293 82.357 13.055 2.295 1.00 0.00 WT3 H ATOM 40333 OH2 TIP3 3294 47.118 58.302 47.321 1.00 0.00 WT3 O ATOM 40334 H1 TIP3 3294 47.307 59.158 46.938 1.00 0.00 WT3 H ATOM 40335 H2 TIP3 3294 46.372 57.974 46.820 1.00 0.00 WT3 H ATOM 40336 OH2 TIP3 3295 89.299 78.193 56.619 1.00 0.00 WT3 O ATOM 40337 H1 TIP3 3295 88.440 77.985 56.985 1.00 0.00 WT3 H ATOM 40338 H2 TIP3 3295 89.819 77.401 56.760 1.00 0.00 WT3 H ATOM 40339 OH2 TIP3 3296 25.930 7.313 60.599 1.00 0.00 WT3 O ATOM 40340 H1 TIP3 3296 26.200 7.540 59.709 1.00 0.00 WT3 H ATOM 40341 H2 TIP3 3296 26.749 7.246 61.089 1.00 0.00 WT3 H ATOM 40342 OH2 TIP3 3300 59.053 15.739 -13.148 1.00 0.00 WT3 O ATOM 40343 H1 TIP3 3300 59.217 15.144 -13.880 1.00 0.00 WT3 H ATOM 40344 H2 TIP3 3300 58.482 16.416 -13.513 1.00 0.00 WT3 H ATOM 40345 OH2 TIP3 3301 43.924 82.327 32.364 1.00 0.00 WT3 O ATOM 40346 H1 TIP3 3301 43.228 82.961 32.191 1.00 0.00 WT3 H ATOM 40347 H2 TIP3 3301 44.038 81.865 31.533 1.00 0.00 WT3 H ATOM 40348 OH2 TIP3 3302 81.386 11.300 44.852 1.00 0.00 WT3 O ATOM 40349 H1 TIP3 3302 81.573 11.876 45.594 1.00 0.00 WT3 H ATOM 40350 H2 TIP3 3302 82.184 11.322 44.324 1.00 0.00 WT3 H ATOM 40351 OH2 TIP3 3303 84.117 57.367 35.284 1.00 0.00 WT3 O ATOM 40352 H1 TIP3 3303 84.955 57.012 35.583 1.00 0.00 WT3 H ATOM 40353 H2 TIP3 3303 83.522 56.616 35.293 1.00 0.00 WT3 H ATOM 40354 OH2 TIP3 3304 84.571 39.394 10.155 1.00 0.00 WT3 O ATOM 40355 H1 TIP3 3304 83.718 39.810 10.276 1.00 0.00 WT3 H ATOM 40356 H2 TIP3 3304 85.090 39.689 10.903 1.00 0.00 WT3 H ATOM 40357 OH2 TIP3 3305 52.406 13.109 -3.054 1.00 0.00 WT3 O ATOM 40358 H1 TIP3 3305 53.187 13.388 -3.531 1.00 0.00 WT3 H ATOM 40359 H2 TIP3 3305 51.873 13.900 -2.980 1.00 0.00 WT3 H ATOM 40360 OH2 TIP3 3306 76.394 85.743 -12.398 1.00 0.00 WT3 O ATOM 40361 H1 TIP3 3306 76.581 86.543 -11.906 1.00 0.00 WT3 H ATOM 40362 H2 TIP3 3306 75.525 85.890 -12.773 1.00 0.00 WT3 H ATOM 40363 OH2 TIP3 3307 38.837 95.193 48.990 1.00 0.00 WT3 O ATOM 40364 H1 TIP3 3307 38.143 94.959 49.606 1.00 0.00 WT3 H ATOM 40365 H2 TIP3 3307 38.575 96.048 48.647 1.00 0.00 WT3 H ATOM 40366 OH2 TIP3 3309 86.022 5.026 -10.307 1.00 0.00 WT3 O ATOM 40367 H1 TIP3 3309 86.436 4.748 -9.490 1.00 0.00 WT3 H ATOM 40368 H2 TIP3 3309 85.096 4.813 -10.192 1.00 0.00 WT3 H ATOM 40369 OH2 TIP3 3310 31.562 82.471 4.548 1.00 0.00 WT3 O ATOM 40370 H1 TIP3 3310 30.934 82.940 5.097 1.00 0.00 WT3 H ATOM 40371 H2 TIP3 3310 32.367 82.453 5.067 1.00 0.00 WT3 H ATOM 40372 OH2 TIP3 3312 33.140 69.832 -16.696 1.00 0.00 WT3 O ATOM 40373 H1 TIP3 3312 34.079 69.979 -16.813 1.00 0.00 WT3 H ATOM 40374 H2 TIP3 3312 32.945 70.198 -15.833 1.00 0.00 WT3 H ATOM 40375 OH2 TIP3 3313 45.309 69.014 31.280 1.00 0.00 WT3 O ATOM 40376 H1 TIP3 3313 45.510 68.264 31.841 1.00 0.00 WT3 H ATOM 40377 H2 TIP3 3313 46.154 69.271 30.911 1.00 0.00 WT3 H ATOM 40378 OH2 TIP3 3316 61.913 8.353 9.950 1.00 0.00 WT3 O ATOM 40379 H1 TIP3 3316 62.605 8.962 10.208 1.00 0.00 WT3 H ATOM 40380 H2 TIP3 3316 61.323 8.877 9.407 1.00 0.00 WT3 H ATOM 40381 OH2 TIP3 3317 45.489 13.886 12.030 1.00 0.00 WT3 O ATOM 40382 H1 TIP3 3317 45.172 14.761 12.254 1.00 0.00 WT3 H ATOM 40383 H2 TIP3 3317 44.990 13.298 12.596 1.00 0.00 WT3 H ATOM 40384 OH2 TIP3 3324 63.290 73.645 51.620 1.00 0.00 WT3 O ATOM 40385 H1 TIP3 3324 62.372 73.580 51.355 1.00 0.00 WT3 H ATOM 40386 H2 TIP3 3324 63.315 74.392 52.218 1.00 0.00 WT3 H ATOM 40387 OH2 TIP3 3331 41.393 78.685 55.542 1.00 0.00 WT3 O ATOM 40388 H1 TIP3 3331 40.552 78.790 55.987 1.00 0.00 WT3 H ATOM 40389 H2 TIP3 3331 41.185 78.777 54.612 1.00 0.00 WT3 H ATOM 40390 OH2 TIP3 3334 37.587 89.852 -16.365 1.00 0.00 WT3 O ATOM 40391 H1 TIP3 3334 38.466 89.545 -16.591 1.00 0.00 WT3 H ATOM 40392 H2 TIP3 3334 36.999 89.284 -16.863 1.00 0.00 WT3 H ATOM 40393 OH2 TIP3 3335 55.313 67.741 57.425 1.00 0.00 WT3 O ATOM 40394 H1 TIP3 3335 55.078 67.149 58.140 1.00 0.00 WT3 H ATOM 40395 H2 TIP3 3335 54.474 68.016 57.056 1.00 0.00 WT3 H ATOM 40396 OH2 TIP3 3338 80.366 70.458 11.641 1.00 0.00 WT3 O ATOM 40397 H1 TIP3 3338 80.814 69.642 11.414 1.00 0.00 WT3 H ATOM 40398 H2 TIP3 3338 79.508 70.385 11.223 1.00 0.00 WT3 H ATOM 40399 OH2 TIP3 3347 41.321 83.877 29.047 1.00 0.00 WT3 O ATOM 40400 H1 TIP3 3347 42.064 84.367 29.399 1.00 0.00 WT3 H ATOM 40401 H2 TIP3 3347 41.718 83.165 28.546 1.00 0.00 WT3 H ATOM 40402 OH2 TIP3 3348 70.262 21.718 15.255 1.00 0.00 WT3 O ATOM 40403 H1 TIP3 3348 69.383 22.028 15.473 1.00 0.00 WT3 H ATOM 40404 H2 TIP3 3348 70.119 21.023 14.613 1.00 0.00 WT3 H ATOM 40405 OH2 TIP3 3350 30.423 80.324 57.257 1.00 0.00 WT3 O ATOM 40406 H1 TIP3 3350 31.018 79.599 57.448 1.00 0.00 WT3 H ATOM 40407 H2 TIP3 3350 30.637 80.989 57.911 1.00 0.00 WT3 H ATOM 40408 OH2 TIP3 3354 51.359 87.318 -3.780 1.00 0.00 WT3 O ATOM 40409 H1 TIP3 3354 50.512 87.256 -4.221 1.00 0.00 WT3 H ATOM 40410 H2 TIP3 3354 51.462 86.475 -3.338 1.00 0.00 WT3 H ATOM 40411 OH2 TIP3 3367 21.783 82.123 35.543 1.00 0.00 WT3 O ATOM 40412 H1 TIP3 3367 21.184 82.053 36.286 1.00 0.00 WT3 H ATOM 40413 H2 TIP3 3367 21.536 82.941 35.111 1.00 0.00 WT3 H ATOM 40414 OH2 TIP3 3369 64.355 22.761 -4.550 1.00 0.00 WT3 O ATOM 40415 H1 TIP3 3369 65.161 22.295 -4.771 1.00 0.00 WT3 H ATOM 40416 H2 TIP3 3369 64.622 23.408 -3.897 1.00 0.00 WT3 H ATOM 40417 OH2 TIP3 3382 72.568 2.688 34.612 1.00 0.00 WT3 O ATOM 40418 H1 TIP3 3382 73.450 2.316 34.626 1.00 0.00 WT3 H ATOM 40419 H2 TIP3 3382 72.499 3.172 35.436 1.00 0.00 WT3 H ATOM 40420 OH2 TIP3 3408 61.678 52.310 51.619 1.00 0.00 WT3 O ATOM 40421 H1 TIP3 3408 61.737 53.128 52.113 1.00 0.00 WT3 H ATOM 40422 H2 TIP3 3408 61.956 52.544 50.733 1.00 0.00 WT3 H ATOM 40423 OH2 TIP3 3426 33.457 50.488 9.964 1.00 0.00 WT3 O ATOM 40424 H1 TIP3 3426 34.409 50.571 9.924 1.00 0.00 WT3 H ATOM 40425 H2 TIP3 3426 33.278 49.607 9.637 1.00 0.00 WT3 H ATOM 40426 OH2 TIP3 3440 37.444 74.955 34.944 1.00 0.00 WT3 O ATOM 40427 H1 TIP3 3440 37.204 74.821 34.027 1.00 0.00 WT3 H ATOM 40428 H2 TIP3 3440 38.380 75.153 34.921 1.00 0.00 WT3 H ATOM 40429 OH2 TIP3 3447 78.948 1.495 40.045 1.00 0.00 WT3 O ATOM 40430 H1 TIP3 3447 78.882 2.434 39.874 1.00 0.00 WT3 H ATOM 40431 H2 TIP3 3447 78.304 1.098 39.459 1.00 0.00 WT3 H ATOM 40432 OH2 TIP3 3480 39.906 82.814 3.998 1.00 0.00 WT3 O ATOM 40433 H1 TIP3 3480 39.693 83.235 4.831 1.00 0.00 WT3 H ATOM 40434 H2 TIP3 3480 40.573 82.165 4.222 1.00 0.00 WT3 H ATOM 40435 OH2 TIP3 3484 50.505 68.487 66.324 1.00 0.00 WT3 O ATOM 40436 H1 TIP3 3484 50.526 69.014 65.525 1.00 0.00 WT3 H ATOM 40437 H2 TIP3 3484 49.893 68.947 66.899 1.00 0.00 WT3 H ATOM 40438 OH2 TIP3 3496 81.703 76.305 32.709 1.00 0.00 WT3 O ATOM 40439 H1 TIP3 3496 80.849 76.592 33.032 1.00 0.00 WT3 H ATOM 40440 H2 TIP3 3496 82.081 77.086 32.305 1.00 0.00 WT3 H ATOM 40441 OH2 TIP3 3497 79.175 81.314 19.271 1.00 0.00 WT3 O ATOM 40442 H1 TIP3 3497 78.999 80.419 19.560 1.00 0.00 WT3 H ATOM 40443 H2 TIP3 3497 79.787 81.660 19.920 1.00 0.00 WT3 H ATOM 40444 OH2 TIP3 3511 43.244 36.805 63.223 1.00 0.00 WT3 O ATOM 40445 H1 TIP3 3511 42.663 36.667 62.476 1.00 0.00 WT3 H ATOM 40446 H2 TIP3 3511 44.004 36.252 63.042 1.00 0.00 WT3 H ATOM 40447 OH2 TIP3 3513 55.478 87.065 5.023 1.00 0.00 WT3 O ATOM 40448 H1 TIP3 3513 56.321 86.760 5.358 1.00 0.00 WT3 H ATOM 40449 H2 TIP3 3513 54.831 86.666 5.604 1.00 0.00 WT3 H ATOM 40450 OH2 TIP3 3514 78.048 62.056 -2.153 1.00 0.00 WT3 O ATOM 40451 H1 TIP3 3514 78.136 62.233 -3.089 1.00 0.00 WT3 H ATOM 40452 H2 TIP3 3514 77.410 61.344 -2.102 1.00 0.00 WT3 H ATOM 40453 OH2 TIP3 3521 26.982 51.939 46.910 1.00 0.00 WT3 O ATOM 40454 H1 TIP3 3521 27.840 51.905 46.486 1.00 0.00 WT3 H ATOM 40455 H2 TIP3 3521 26.373 52.157 46.205 1.00 0.00 WT3 H ATOM 40456 OH2 TIP3 3526 65.683 87.971 -10.232 1.00 0.00 WT3 O ATOM 40457 H1 TIP3 3526 65.205 88.698 -9.833 1.00 0.00 WT3 H ATOM 40458 H2 TIP3 3526 65.209 87.789 -11.043 1.00 0.00 WT3 H ATOM 40459 OH2 TIP3 3527 83.297 70.949 26.727 1.00 0.00 WT3 O ATOM 40460 H1 TIP3 3527 82.521 70.581 27.149 1.00 0.00 WT3 H ATOM 40461 H2 TIP3 3527 83.745 71.427 27.425 1.00 0.00 WT3 H ATOM 40462 OH2 TIP3 3533 23.349 2.406 -3.041 1.00 0.00 WT3 O ATOM 40463 H1 TIP3 3533 23.732 2.936 -3.739 1.00 0.00 WT3 H ATOM 40464 H2 TIP3 3533 23.189 3.025 -2.329 1.00 0.00 WT3 H ATOM 40465 OH2 TIP3 3534 42.142 32.837 47.977 1.00 0.00 WT3 O ATOM 40466 H1 TIP3 3534 42.444 32.313 48.719 1.00 0.00 WT3 H ATOM 40467 H2 TIP3 3534 42.859 32.792 47.344 1.00 0.00 WT3 H ATOM 40468 OH2 TIP3 3537 67.312 48.733 0.683 1.00 0.00 WT3 O ATOM 40469 H1 TIP3 3537 67.481 48.982 1.591 1.00 0.00 WT3 H ATOM 40470 H2 TIP3 3537 66.432 49.066 0.502 1.00 0.00 WT3 H ATOM 40471 OH2 TIP3 3544 35.741 51.325 29.508 1.00 0.00 WT3 O ATOM 40472 H1 TIP3 3544 36.446 51.659 28.953 1.00 0.00 WT3 H ATOM 40473 H2 TIP3 3544 35.780 51.866 30.297 1.00 0.00 WT3 H ATOM 40474 OH2 TIP3 3545 81.134 51.812 44.784 1.00 0.00 WT3 O ATOM 40475 H1 TIP3 3545 81.545 52.667 44.660 1.00 0.00 WT3 H ATOM 40476 H2 TIP3 3545 80.234 51.932 44.479 1.00 0.00 WT3 H ATOM 40477 OH2 TIP3 3546 21.163 55.390 65.147 1.00 0.00 WT3 O ATOM 40478 H1 TIP3 3546 20.310 55.421 65.579 1.00 0.00 WT3 H ATOM 40479 H2 TIP3 3546 21.133 56.098 64.503 1.00 0.00 WT3 H ATOM 40480 OH2 TIP3 3548 47.304 77.081 -6.990 1.00 0.00 WT3 O ATOM 40481 H1 TIP3 3548 47.081 76.633 -7.806 1.00 0.00 WT3 H ATOM 40482 H2 TIP3 3548 47.164 76.423 -6.309 1.00 0.00 WT3 H ATOM 40483 OH2 TIP3 3552 55.209 7.111 15.317 1.00 0.00 WT3 O ATOM 40484 H1 TIP3 3552 54.906 7.881 15.798 1.00 0.00 WT3 H ATOM 40485 H2 TIP3 3552 55.667 6.584 15.971 1.00 0.00 WT3 H ATOM 40486 OH2 TIP3 3554 71.061 63.599 66.682 1.00 0.00 WT3 O ATOM 40487 H1 TIP3 3554 71.968 63.303 66.607 1.00 0.00 WT3 H ATOM 40488 H2 TIP3 3554 70.578 63.050 66.064 1.00 0.00 WT3 H ATOM 40489 OH2 TIP3 3555 46.908 72.613 -6.092 1.00 0.00 WT3 O ATOM 40490 H1 TIP3 3555 46.148 72.044 -5.974 1.00 0.00 WT3 H ATOM 40491 H2 TIP3 3555 47.518 72.344 -5.405 1.00 0.00 WT3 H ATOM 40492 OH2 TIP3 3556 41.564 82.512 41.786 1.00 0.00 WT3 O ATOM 40493 H1 TIP3 3556 42.476 82.272 41.622 1.00 0.00 WT3 H ATOM 40494 H2 TIP3 3556 41.056 81.904 41.249 1.00 0.00 WT3 H ATOM 40495 OH2 TIP3 3561 55.774 67.138 11.721 1.00 0.00 WT3 O ATOM 40496 H1 TIP3 3561 55.547 66.702 10.899 1.00 0.00 WT3 H ATOM 40497 H2 TIP3 3561 56.329 66.508 12.181 1.00 0.00 WT3 H ATOM 40498 OH2 TIP3 3566 37.010 95.002 29.351 1.00 0.00 WT3 O ATOM 40499 H1 TIP3 3566 37.014 94.483 28.547 1.00 0.00 WT3 H ATOM 40500 H2 TIP3 3566 37.924 95.013 29.635 1.00 0.00 WT3 H ATOM 40501 OH2 TIP3 3569 84.164 81.415 60.689 1.00 0.00 WT3 O ATOM 40502 H1 TIP3 3569 84.770 80.984 60.086 1.00 0.00 WT3 H ATOM 40503 H2 TIP3 3569 83.543 81.871 60.121 1.00 0.00 WT3 H ATOM 40504 OH2 TIP3 3571 32.083 87.338 2.049 1.00 0.00 WT3 O ATOM 40505 H1 TIP3 3571 32.175 87.322 3.001 1.00 0.00 WT3 H ATOM 40506 H2 TIP3 3571 32.932 87.040 1.721 1.00 0.00 WT3 H ATOM 40507 OH2 TIP3 3573 36.259 39.555 59.630 1.00 0.00 WT3 O ATOM 40508 H1 TIP3 3573 35.665 39.138 60.254 1.00 0.00 WT3 H ATOM 40509 H2 TIP3 3573 35.816 39.474 58.786 1.00 0.00 WT3 H ATOM 40510 OH2 TIP3 3575 39.100 4.021 65.464 1.00 0.00 WT3 O ATOM 40511 H1 TIP3 3575 40.036 4.205 65.379 1.00 0.00 WT3 H ATOM 40512 H2 TIP3 3575 39.062 3.170 65.900 1.00 0.00 WT3 H ATOM 40513 OH2 TIP3 3579 66.737 0.796 5.665 1.00 0.00 WT3 O ATOM 40514 H1 TIP3 3579 67.252 1.542 5.359 1.00 0.00 WT3 H ATOM 40515 H2 TIP3 3579 67.377 0.216 6.078 1.00 0.00 WT3 H ATOM 40516 OH2 TIP3 3580 38.927 29.576 -19.659 1.00 0.00 WT3 O ATOM 40517 H1 TIP3 3580 39.739 30.066 -19.528 1.00 0.00 WT3 H ATOM 40518 H2 TIP3 3580 38.329 29.919 -18.995 1.00 0.00 WT3 H ATOM 40519 OH2 TIP3 3585 22.858 17.792 32.354 1.00 0.00 WT3 O ATOM 40520 H1 TIP3 3585 23.747 17.812 32.000 1.00 0.00 WT3 H ATOM 40521 H2 TIP3 3585 22.492 16.966 32.038 1.00 0.00 WT3 H ATOM 40522 OH2 TIP3 3586 35.804 47.645 18.026 1.00 0.00 WT3 O ATOM 40523 H1 TIP3 3586 36.353 47.880 17.278 1.00 0.00 WT3 H ATOM 40524 H2 TIP3 3586 36.227 48.063 18.776 1.00 0.00 WT3 H ATOM 40525 OH2 TIP3 3588 24.527 77.480 -18.834 1.00 0.00 WT3 O ATOM 40526 H1 TIP3 3588 24.806 76.619 -19.146 1.00 0.00 WT3 H ATOM 40527 H2 TIP3 3588 23.638 77.340 -18.508 1.00 0.00 WT3 H ATOM 40528 OH2 TIP3 3589 43.620 74.539 57.218 1.00 0.00 WT3 O ATOM 40529 H1 TIP3 3589 44.195 75.282 57.036 1.00 0.00 WT3 H ATOM 40530 H2 TIP3 3589 42.735 74.895 57.141 1.00 0.00 WT3 H ATOM 40531 OH2 TIP3 3590 36.441 -0.221 50.301 1.00 0.00 WT3 O ATOM 40532 H1 TIP3 3590 36.074 0.468 49.748 1.00 0.00 WT3 H ATOM 40533 H2 TIP3 3590 36.655 0.220 51.124 1.00 0.00 WT3 H ATOM 40534 OH2 TIP3 3593 37.952 54.248 64.262 1.00 0.00 WT3 O ATOM 40535 H1 TIP3 3593 37.703 53.624 64.945 1.00 0.00 WT3 H ATOM 40536 H2 TIP3 3593 37.130 54.457 63.818 1.00 0.00 WT3 H ATOM 40537 OH2 TIP3 3595 49.340 63.073 66.092 1.00 0.00 WT3 O ATOM 40538 H1 TIP3 3595 49.783 62.243 66.270 1.00 0.00 WT3 H ATOM 40539 H2 TIP3 3595 50.039 63.727 66.112 1.00 0.00 WT3 H ATOM 40540 OH2 TIP3 3596 62.206 95.373 55.067 1.00 0.00 WT3 O ATOM 40541 H1 TIP3 3596 61.735 96.161 55.338 1.00 0.00 WT3 H ATOM 40542 H2 TIP3 3596 61.572 94.882 54.544 1.00 0.00 WT3 H ATOM 40543 OH2 TIP3 3597 77.327 53.910 4.199 1.00 0.00 WT3 O ATOM 40544 H1 TIP3 3597 76.394 54.110 4.278 1.00 0.00 WT3 H ATOM 40545 H2 TIP3 3597 77.768 54.704 4.501 1.00 0.00 WT3 H ATOM 40546 OH2 TIP3 3598 61.958 12.191 4.392 1.00 0.00 WT3 O ATOM 40547 H1 TIP3 3598 61.140 12.530 4.756 1.00 0.00 WT3 H ATOM 40548 H2 TIP3 3598 61.727 11.908 3.507 1.00 0.00 WT3 H ATOM 40549 OH2 TIP3 3599 39.150 41.472 -8.119 1.00 0.00 WT3 O ATOM 40550 H1 TIP3 3599 39.321 41.245 -7.205 1.00 0.00 WT3 H ATOM 40551 H2 TIP3 3599 38.207 41.353 -8.224 1.00 0.00 WT3 H ATOM 40552 OH2 TIP3 3600 53.094 85.763 16.544 1.00 0.00 WT3 O ATOM 40553 H1 TIP3 3600 53.638 86.385 17.028 1.00 0.00 WT3 H ATOM 40554 H2 TIP3 3600 53.662 85.004 16.407 1.00 0.00 WT3 H ATOM 40555 OH2 TIP3 3601 33.740 7.456 36.296 1.00 0.00 WT3 O ATOM 40556 H1 TIP3 3601 34.265 7.789 35.568 1.00 0.00 WT3 H ATOM 40557 H2 TIP3 3601 33.605 8.216 36.862 1.00 0.00 WT3 H ATOM 40558 OH2 TIP3 3603 84.895 69.008 6.424 1.00 0.00 WT3 O ATOM 40559 H1 TIP3 3603 85.100 68.093 6.234 1.00 0.00 WT3 H ATOM 40560 H2 TIP3 3603 84.002 68.988 6.767 1.00 0.00 WT3 H ATOM 40561 OH2 TIP3 3604 62.607 94.627 25.182 1.00 0.00 WT3 O ATOM 40562 H1 TIP3 3604 63.088 94.474 25.995 1.00 0.00 WT3 H ATOM 40563 H2 TIP3 3604 62.838 93.886 24.622 1.00 0.00 WT3 H ATOM 40564 OH2 TIP3 3607 52.850 95.616 -13.043 1.00 0.00 WT3 O ATOM 40565 H1 TIP3 3607 52.600 96.514 -12.826 1.00 0.00 WT3 H ATOM 40566 H2 TIP3 3607 52.198 95.334 -13.685 1.00 0.00 WT3 H ATOM 40567 OH2 TIP3 3608 64.591 85.319 41.340 1.00 0.00 WT3 O ATOM 40568 H1 TIP3 3608 63.670 85.431 41.574 1.00 0.00 WT3 H ATOM 40569 H2 TIP3 3608 65.056 85.951 41.890 1.00 0.00 WT3 H ATOM 40570 OH2 TIP3 3609 68.511 75.343 50.116 1.00 0.00 WT3 O ATOM 40571 H1 TIP3 3609 68.234 75.665 49.258 1.00 0.00 WT3 H ATOM 40572 H2 TIP3 3609 68.898 74.486 49.937 1.00 0.00 WT3 H ATOM 40573 OH2 TIP3 3610 42.906 76.337 26.099 1.00 0.00 WT3 O ATOM 40574 H1 TIP3 3610 43.821 76.060 26.152 1.00 0.00 WT3 H ATOM 40575 H2 TIP3 3610 42.487 75.925 26.855 1.00 0.00 WT3 H ATOM 40576 OH2 TIP3 3612 41.592 65.620 1.142 1.00 0.00 WT3 O ATOM 40577 H1 TIP3 3612 41.610 64.663 1.172 1.00 0.00 WT3 H ATOM 40578 H2 TIP3 3612 42.420 65.888 1.540 1.00 0.00 WT3 H ATOM 40579 OH2 TIP3 3613 82.576 74.205 66.223 1.00 0.00 WT3 O ATOM 40580 H1 TIP3 3613 81.804 74.516 66.696 1.00 0.00 WT3 H ATOM 40581 H2 TIP3 3613 82.446 73.260 66.146 1.00 0.00 WT3 H ATOM 40582 OH2 TIP3 3614 90.195 70.432 31.664 1.00 0.00 WT3 O ATOM 40583 H1 TIP3 3614 90.704 71.242 31.702 1.00 0.00 WT3 H ATOM 40584 H2 TIP3 3614 89.938 70.354 30.745 1.00 0.00 WT3 H ATOM 40585 OH2 TIP3 3615 73.813 93.057 -7.778 1.00 0.00 WT3 O ATOM 40586 H1 TIP3 3615 74.672 93.218 -8.169 1.00 0.00 WT3 H ATOM 40587 H2 TIP3 3615 73.568 93.895 -7.385 1.00 0.00 WT3 H ATOM 40588 OH2 TIP3 3616 59.116 69.484 28.359 1.00 0.00 WT3 O ATOM 40589 H1 TIP3 3616 59.380 69.101 27.522 1.00 0.00 WT3 H ATOM 40590 H2 TIP3 3616 58.169 69.347 28.397 1.00 0.00 WT3 H ATOM 40591 OH2 TIP3 3617 34.587 8.540 52.886 1.00 0.00 WT3 O ATOM 40592 H1 TIP3 3617 34.815 8.684 51.968 1.00 0.00 WT3 H ATOM 40593 H2 TIP3 3617 35.195 9.095 53.374 1.00 0.00 WT3 H ATOM 40594 OH2 TIP3 3618 40.531 10.281 -17.510 1.00 0.00 WT3 O ATOM 40595 H1 TIP3 3618 39.739 9.750 -17.420 1.00 0.00 WT3 H ATOM 40596 H2 TIP3 3618 40.636 10.398 -18.454 1.00 0.00 WT3 H ATOM 40597 OH2 TIP3 3619 85.634 82.546 54.505 1.00 0.00 WT3 O ATOM 40598 H1 TIP3 3619 85.426 82.940 53.658 1.00 0.00 WT3 H ATOM 40599 H2 TIP3 3619 86.476 82.930 54.749 1.00 0.00 WT3 H ATOM 40600 OH2 TIP3 3620 81.301 72.605 49.350 1.00 0.00 WT3 O ATOM 40601 H1 TIP3 3620 81.295 72.014 50.103 1.00 0.00 WT3 H ATOM 40602 H2 TIP3 3620 80.661 73.281 49.571 1.00 0.00 WT3 H ATOM 40603 OH2 TIP3 3621 80.272 87.637 21.382 1.00 0.00 WT3 O ATOM 40604 H1 TIP3 3621 79.909 88.515 21.502 1.00 0.00 WT3 H ATOM 40605 H2 TIP3 3621 81.220 87.763 21.423 1.00 0.00 WT3 H ATOM 40606 OH2 TIP3 3622 54.805 64.147 14.779 1.00 0.00 WT3 O ATOM 40607 H1 TIP3 3622 55.380 63.822 14.087 1.00 0.00 WT3 H ATOM 40608 H2 TIP3 3622 54.264 63.394 15.016 1.00 0.00 WT3 H ATOM 40609 OH2 TIP3 3623 72.050 30.983 -14.176 1.00 0.00 WT3 O ATOM 40610 H1 TIP3 3623 72.087 31.715 -14.792 1.00 0.00 WT3 H ATOM 40611 H2 TIP3 3623 72.234 31.377 -13.323 1.00 0.00 WT3 H ATOM 40612 OH2 TIP3 3624 55.725 70.118 3.505 1.00 0.00 WT3 O ATOM 40613 H1 TIP3 3624 55.503 70.489 4.359 1.00 0.00 WT3 H ATOM 40614 H2 TIP3 3624 56.453 69.524 3.684 1.00 0.00 WT3 H ATOM 40615 OH2 TIP3 3625 21.920 15.084 -7.697 1.00 0.00 WT3 O ATOM 40616 H1 TIP3 3625 21.944 16.026 -7.865 1.00 0.00 WT3 H ATOM 40617 H2 TIP3 3625 22.837 14.841 -7.565 1.00 0.00 WT3 H ATOM 40618 OH2 TIP3 3626 50.468 55.863 -6.478 1.00 0.00 WT3 O ATOM 40619 H1 TIP3 3626 51.133 55.181 -6.380 1.00 0.00 WT3 H ATOM 40620 H2 TIP3 3626 50.520 56.118 -7.399 1.00 0.00 WT3 H ATOM 40621 OH2 TIP3 3627 25.922 48.378 -2.093 1.00 0.00 WT3 O ATOM 40622 H1 TIP3 3627 26.136 49.102 -1.505 1.00 0.00 WT3 H ATOM 40623 H2 TIP3 3627 24.966 48.331 -2.077 1.00 0.00 WT3 H ATOM 40624 OH2 TIP3 3628 47.530 82.596 29.746 1.00 0.00 WT3 O ATOM 40625 H1 TIP3 3628 47.679 82.139 30.574 1.00 0.00 WT3 H ATOM 40626 H2 TIP3 3628 47.807 81.973 29.074 1.00 0.00 WT3 H ATOM 40627 OH2 TIP3 3629 74.633 75.352 -8.076 1.00 0.00 WT3 O ATOM 40628 H1 TIP3 3629 74.330 74.446 -8.009 1.00 0.00 WT3 H ATOM 40629 H2 TIP3 3629 75.063 75.523 -7.239 1.00 0.00 WT3 H ATOM 40630 OH2 TIP3 3630 44.011 11.593 29.430 1.00 0.00 WT3 O ATOM 40631 H1 TIP3 3630 44.156 12.270 28.768 1.00 0.00 WT3 H ATOM 40632 H2 TIP3 3630 43.073 11.640 29.619 1.00 0.00 WT3 H ATOM 40633 OH2 TIP3 3632 62.634 50.001 11.313 1.00 0.00 WT3 O ATOM 40634 H1 TIP3 3632 62.006 50.715 11.425 1.00 0.00 WT3 H ATOM 40635 H2 TIP3 3632 62.340 49.325 11.924 1.00 0.00 WT3 H ATOM 40636 OH2 TIP3 3633 80.537 31.188 6.362 1.00 0.00 WT3 O ATOM 40637 H1 TIP3 3633 80.221 32.078 6.521 1.00 0.00 WT3 H ATOM 40638 H2 TIP3 3633 80.458 30.750 7.209 1.00 0.00 WT3 H ATOM 40639 OH2 TIP3 3634 50.956 96.370 -5.456 1.00 0.00 WT3 O ATOM 40640 H1 TIP3 3634 50.968 95.935 -6.309 1.00 0.00 WT3 H ATOM 40641 H2 TIP3 3634 50.572 95.723 -4.863 1.00 0.00 WT3 H ATOM 40642 OH2 TIP3 3635 34.803 64.620 42.439 1.00 0.00 WT3 O ATOM 40643 H1 TIP3 3635 34.881 65.277 41.748 1.00 0.00 WT3 H ATOM 40644 H2 TIP3 3635 35.687 64.262 42.530 1.00 0.00 WT3 H ATOM 40645 OH2 TIP3 3636 77.583 62.592 7.678 1.00 0.00 WT3 O ATOM 40646 H1 TIP3 3636 77.822 62.798 8.582 1.00 0.00 WT3 H ATOM 40647 H2 TIP3 3636 77.618 63.433 7.223 1.00 0.00 WT3 H ATOM 40648 OH2 TIP3 3637 58.300 21.689 3.027 1.00 0.00 WT3 O ATOM 40649 H1 TIP3 3637 57.764 20.898 3.085 1.00 0.00 WT3 H ATOM 40650 H2 TIP3 3637 58.258 22.072 3.903 1.00 0.00 WT3 H ATOM 40651 OH2 TIP3 3638 45.136 71.276 66.571 1.00 0.00 WT3 O ATOM 40652 H1 TIP3 3638 46.091 71.287 66.633 1.00 0.00 WT3 H ATOM 40653 H2 TIP3 3638 44.897 70.359 66.704 1.00 0.00 WT3 H ATOM 40654 OH2 TIP3 3639 80.250 18.849 63.733 1.00 0.00 WT3 O ATOM 40655 H1 TIP3 3639 80.477 17.946 63.510 1.00 0.00 WT3 H ATOM 40656 H2 TIP3 3639 79.816 19.188 62.950 1.00 0.00 WT3 H ATOM 40657 OH2 TIP3 3640 79.154 45.012 21.808 1.00 0.00 WT3 O ATOM 40658 H1 TIP3 3640 80.068 45.075 22.086 1.00 0.00 WT3 H ATOM 40659 H2 TIP3 3640 78.863 44.159 22.131 1.00 0.00 WT3 H ATOM 40660 OH2 TIP3 3641 74.266 60.890 52.047 1.00 0.00 WT3 O ATOM 40661 H1 TIP3 3641 74.409 59.987 52.331 1.00 0.00 WT3 H ATOM 40662 H2 TIP3 3641 73.443 61.145 52.466 1.00 0.00 WT3 H ATOM 40663 OH2 TIP3 3644 33.047 46.487 27.469 1.00 0.00 WT3 O ATOM 40664 H1 TIP3 3644 32.399 46.073 26.898 1.00 0.00 WT3 H ATOM 40665 H2 TIP3 3644 33.817 46.603 26.913 1.00 0.00 WT3 H ATOM 40666 OH2 TIP3 3645 39.301 71.952 62.615 1.00 0.00 WT3 O ATOM 40667 H1 TIP3 3645 39.740 71.207 63.025 1.00 0.00 WT3 H ATOM 40668 H2 TIP3 3645 38.488 72.054 63.110 1.00 0.00 WT3 H ATOM 40669 OH2 TIP3 3646 58.496 90.418 4.772 1.00 0.00 WT3 O ATOM 40670 H1 TIP3 3646 58.261 89.917 3.991 1.00 0.00 WT3 H ATOM 40671 H2 TIP3 3646 58.683 89.753 5.436 1.00 0.00 WT3 H ATOM 40672 OH2 TIP3 3647 61.791 71.696 48.527 1.00 0.00 WT3 O ATOM 40673 H1 TIP3 3647 62.160 71.693 49.410 1.00 0.00 WT3 H ATOM 40674 H2 TIP3 3647 62.478 71.320 47.978 1.00 0.00 WT3 H ATOM 40675 OH2 TIP3 3648 56.331 9.672 59.564 1.00 0.00 WT3 O ATOM 40676 H1 TIP3 3648 55.773 9.312 58.874 1.00 0.00 WT3 H ATOM 40677 H2 TIP3 3648 56.139 9.135 60.332 1.00 0.00 WT3 H ATOM 40678 OH2 TIP3 3649 57.015 85.362 42.729 1.00 0.00 WT3 O ATOM 40679 H1 TIP3 3649 56.962 84.661 42.080 1.00 0.00 WT3 H ATOM 40680 H2 TIP3 3649 57.749 85.904 42.440 1.00 0.00 WT3 H ATOM 40681 OH2 TIP3 3650 30.737 37.838 54.963 1.00 0.00 WT3 O ATOM 40682 H1 TIP3 3650 31.392 37.808 54.266 1.00 0.00 WT3 H ATOM 40683 H2 TIP3 3650 30.181 38.584 54.737 1.00 0.00 WT3 H ATOM 40684 OH2 TIP3 3651 58.585 31.666 60.477 1.00 0.00 WT3 O ATOM 40685 H1 TIP3 3651 58.610 30.787 60.854 1.00 0.00 WT3 H ATOM 40686 H2 TIP3 3651 57.802 31.669 59.925 1.00 0.00 WT3 H ATOM 40687 OH2 TIP3 3652 32.627 65.802 -10.499 1.00 0.00 WT3 O ATOM 40688 H1 TIP3 3652 31.988 66.380 -10.916 1.00 0.00 WT3 H ATOM 40689 H2 TIP3 3652 32.360 64.920 -10.760 1.00 0.00 WT3 H ATOM 40690 OH2 TIP3 3653 66.280 80.676 -2.529 1.00 0.00 WT3 O ATOM 40691 H1 TIP3 3653 66.295 80.215 -3.368 1.00 0.00 WT3 H ATOM 40692 H2 TIP3 3653 65.959 80.025 -1.904 1.00 0.00 WT3 H ATOM 40693 OH2 TIP3 3654 60.374 84.079 16.430 1.00 0.00 WT3 O ATOM 40694 H1 TIP3 3654 59.698 84.616 16.015 1.00 0.00 WT3 H ATOM 40695 H2 TIP3 3654 59.945 83.240 16.597 1.00 0.00 WT3 H ATOM 40696 OH2 TIP3 3655 45.845 89.932 30.925 1.00 0.00 WT3 O ATOM 40697 H1 TIP3 3655 45.971 89.924 31.873 1.00 0.00 WT3 H ATOM 40698 H2 TIP3 3655 44.895 89.901 30.809 1.00 0.00 WT3 H ATOM 40699 OH2 TIP3 3656 74.986 69.227 39.685 1.00 0.00 WT3 O ATOM 40700 H1 TIP3 3656 75.519 69.952 40.011 1.00 0.00 WT3 H ATOM 40701 H2 TIP3 3656 75.117 69.240 38.737 1.00 0.00 WT3 H ATOM 40702 OH2 TIP3 3657 59.273 5.235 -11.749 1.00 0.00 WT3 O ATOM 40703 H1 TIP3 3657 59.810 5.983 -12.010 1.00 0.00 WT3 H ATOM 40704 H2 TIP3 3657 59.474 4.558 -12.394 1.00 0.00 WT3 H ATOM 40705 OH2 TIP3 3658 36.472 92.331 -3.074 1.00 0.00 WT3 O ATOM 40706 H1 TIP3 3658 36.086 92.873 -3.762 1.00 0.00 WT3 H ATOM 40707 H2 TIP3 3658 36.211 92.757 -2.258 1.00 0.00 WT3 H ATOM 40708 OH2 TIP3 3660 41.683 32.737 8.971 1.00 0.00 WT3 O ATOM 40709 H1 TIP3 3660 41.821 33.119 9.838 1.00 0.00 WT3 H ATOM 40710 H2 TIP3 3660 40.797 33.006 8.728 1.00 0.00 WT3 H ATOM 40711 OH2 TIP3 3661 50.871 37.093 61.790 1.00 0.00 WT3 O ATOM 40712 H1 TIP3 3661 50.763 37.866 62.344 1.00 0.00 WT3 H ATOM 40713 H2 TIP3 3661 50.120 36.538 62.001 1.00 0.00 WT3 H ATOM 40714 OH2 TIP3 3662 67.355 22.591 66.553 1.00 0.00 WT3 O ATOM 40715 H1 TIP3 3662 67.045 23.016 67.353 1.00 0.00 WT3 H ATOM 40716 H2 TIP3 3662 68.180 22.177 66.805 1.00 0.00 WT3 H ATOM 40717 OH2 TIP3 3663 23.502 25.933 20.531 1.00 0.00 WT3 O ATOM 40718 H1 TIP3 3663 23.662 25.147 21.052 1.00 0.00 WT3 H ATOM 40719 H2 TIP3 3663 22.571 26.119 20.656 1.00 0.00 WT3 H ATOM 40720 OH2 TIP3 3665 88.663 71.248 56.694 1.00 0.00 WT3 O ATOM 40721 H1 TIP3 3665 89.598 71.047 56.735 1.00 0.00 WT3 H ATOM 40722 H2 TIP3 3665 88.275 70.495 56.248 1.00 0.00 WT3 H ATOM 40723 OH2 TIP3 3666 21.651 50.075 19.003 1.00 0.00 WT3 O ATOM 40724 H1 TIP3 3666 22.171 50.879 18.998 1.00 0.00 WT3 H ATOM 40725 H2 TIP3 3666 21.123 50.137 19.799 1.00 0.00 WT3 H ATOM 40726 OH2 TIP3 3667 46.571 19.069 44.184 1.00 0.00 WT3 O ATOM 40727 H1 TIP3 3667 46.256 19.069 43.280 1.00 0.00 WT3 H ATOM 40728 H2 TIP3 3667 46.046 19.741 44.620 1.00 0.00 WT3 H ATOM 40729 OH2 TIP3 3669 25.945 94.568 39.886 1.00 0.00 WT3 O ATOM 40730 H1 TIP3 3669 26.083 94.841 38.979 1.00 0.00 WT3 H ATOM 40731 H2 TIP3 3669 24.994 94.560 39.992 1.00 0.00 WT3 H ATOM 40732 OH2 TIP3 3670 81.882 5.597 65.599 1.00 0.00 WT3 O ATOM 40733 H1 TIP3 3670 81.651 6.517 65.466 1.00 0.00 WT3 H ATOM 40734 H2 TIP3 3670 81.647 5.420 66.510 1.00 0.00 WT3 H ATOM 40735 OH2 TIP3 3671 45.470 91.512 34.293 1.00 0.00 WT3 O ATOM 40736 H1 TIP3 3671 46.283 91.079 34.035 1.00 0.00 WT3 H ATOM 40737 H2 TIP3 3671 44.865 90.795 34.480 1.00 0.00 WT3 H ATOM 40738 OH2 TIP3 3672 39.842 44.797 67.156 1.00 0.00 WT3 O ATOM 40739 H1 TIP3 3672 40.704 44.459 66.913 1.00 0.00 WT3 H ATOM 40740 H2 TIP3 3672 39.613 45.400 66.449 1.00 0.00 WT3 H ATOM 40741 OH2 TIP3 3673 51.153 10.166 -19.359 1.00 0.00 WT3 O ATOM 40742 H1 TIP3 3673 50.254 9.858 -19.243 1.00 0.00 WT3 H ATOM 40743 H2 TIP3 3673 51.691 9.383 -19.245 1.00 0.00 WT3 H ATOM 40744 OH2 TIP3 3674 29.412 54.302 0.882 1.00 0.00 WT3 O ATOM 40745 H1 TIP3 3674 29.599 53.491 0.410 1.00 0.00 WT3 H ATOM 40746 H2 TIP3 3674 30.259 54.574 1.237 1.00 0.00 WT3 H ATOM 40747 OH2 TIP3 3675 70.035 11.015 44.787 1.00 0.00 WT3 O ATOM 40748 H1 TIP3 3675 69.425 10.389 44.396 1.00 0.00 WT3 H ATOM 40749 H2 TIP3 3675 70.044 10.792 45.718 1.00 0.00 WT3 H ATOM 40750 OH2 TIP3 3676 37.254 57.399 -6.635 1.00 0.00 WT3 O ATOM 40751 H1 TIP3 3676 36.928 56.700 -6.068 1.00 0.00 WT3 H ATOM 40752 H2 TIP3 3676 36.471 57.744 -7.065 1.00 0.00 WT3 H ATOM 40753 OH2 TIP3 3678 71.246 66.764 20.419 1.00 0.00 WT3 O ATOM 40754 H1 TIP3 3678 71.357 66.284 21.240 1.00 0.00 WT3 H ATOM 40755 H2 TIP3 3678 71.354 66.100 19.737 1.00 0.00 WT3 H ATOM 40756 OH2 TIP3 3680 57.676 56.234 55.471 1.00 0.00 WT3 O ATOM 40757 H1 TIP3 3680 57.354 56.755 54.736 1.00 0.00 WT3 H ATOM 40758 H2 TIP3 3680 57.027 56.367 56.162 1.00 0.00 WT3 H ATOM 40759 OH2 TIP3 3682 58.176 65.958 -14.171 1.00 0.00 WT3 O ATOM 40760 H1 TIP3 3682 57.436 65.400 -14.411 1.00 0.00 WT3 H ATOM 40761 H2 TIP3 3682 58.349 65.745 -13.254 1.00 0.00 WT3 H ATOM 40762 OH2 TIP3 3684 69.369 56.372 -0.053 1.00 0.00 WT3 O ATOM 40763 H1 TIP3 3684 69.161 57.077 0.560 1.00 0.00 WT3 H ATOM 40764 H2 TIP3 3684 68.579 55.831 -0.073 1.00 0.00 WT3 H ATOM 40765 OH2 TIP3 3685 26.791 17.627 18.989 1.00 0.00 WT3 O ATOM 40766 H1 TIP3 3685 25.971 17.585 18.497 1.00 0.00 WT3 H ATOM 40767 H2 TIP3 3685 27.458 17.812 18.328 1.00 0.00 WT3 H ATOM 40768 OH2 TIP3 3686 66.823 80.022 -6.576 1.00 0.00 WT3 O ATOM 40769 H1 TIP3 3686 66.593 79.264 -6.038 1.00 0.00 WT3 H ATOM 40770 H2 TIP3 3686 67.643 80.343 -6.200 1.00 0.00 WT3 H ATOM 40771 OH2 TIP3 3688 34.183 1.235 19.879 1.00 0.00 WT3 O ATOM 40772 H1 TIP3 3688 34.388 0.391 19.476 1.00 0.00 WT3 H ATOM 40773 H2 TIP3 3688 34.918 1.405 20.467 1.00 0.00 WT3 H ATOM 40774 OH2 TIP3 3689 27.661 88.030 10.230 1.00 0.00 WT3 O ATOM 40775 H1 TIP3 3689 27.685 87.095 10.025 1.00 0.00 WT3 H ATOM 40776 H2 TIP3 3689 28.248 88.127 10.980 1.00 0.00 WT3 H ATOM 40777 OH2 TIP3 3690 25.923 39.098 54.046 1.00 0.00 WT3 O ATOM 40778 H1 TIP3 3690 25.562 39.182 54.929 1.00 0.00 WT3 H ATOM 40779 H2 TIP3 3690 26.569 39.802 53.984 1.00 0.00 WT3 H ATOM 40780 OH2 TIP3 3691 76.494 45.263 34.239 1.00 0.00 WT3 O ATOM 40781 H1 TIP3 3691 75.636 44.838 34.270 1.00 0.00 WT3 H ATOM 40782 H2 TIP3 3691 76.384 46.062 34.754 1.00 0.00 WT3 H ATOM 40783 OH2 TIP3 3692 83.504 54.785 33.422 1.00 0.00 WT3 O ATOM 40784 H1 TIP3 3692 83.762 54.247 32.673 1.00 0.00 WT3 H ATOM 40785 H2 TIP3 3692 82.863 55.400 33.066 1.00 0.00 WT3 H ATOM 40786 OH2 TIP3 3693 84.353 0.487 34.742 1.00 0.00 WT3 O ATOM 40787 H1 TIP3 3693 83.836 -0.278 34.491 1.00 0.00 WT3 H ATOM 40788 H2 TIP3 3693 83.805 0.949 35.376 1.00 0.00 WT3 H ATOM 40789 OH2 TIP3 3694 62.774 14.070 0.590 1.00 0.00 WT3 O ATOM 40790 H1 TIP3 3694 63.649 14.165 0.967 1.00 0.00 WT3 H ATOM 40791 H2 TIP3 3694 62.217 13.835 1.333 1.00 0.00 WT3 H ATOM 40792 OH2 TIP3 3695 73.763 36.672 66.290 1.00 0.00 WT3 O ATOM 40793 H1 TIP3 3695 73.104 36.161 65.819 1.00 0.00 WT3 H ATOM 40794 H2 TIP3 3695 73.491 37.582 66.171 1.00 0.00 WT3 H ATOM 40795 OH2 TIP3 3696 63.875 61.038 21.043 1.00 0.00 WT3 O ATOM 40796 H1 TIP3 3696 63.942 60.087 21.135 1.00 0.00 WT3 H ATOM 40797 H2 TIP3 3696 62.949 61.197 20.861 1.00 0.00 WT3 H ATOM 40798 OH2 TIP3 3697 26.538 9.275 32.335 1.00 0.00 WT3 O ATOM 40799 H1 TIP3 3697 27.372 9.284 32.804 1.00 0.00 WT3 H ATOM 40800 H2 TIP3 3697 26.740 9.647 31.477 1.00 0.00 WT3 H ATOM 40801 OH2 TIP3 3700 62.551 81.877 55.636 1.00 0.00 WT3 O ATOM 40802 H1 TIP3 3700 63.096 81.691 54.871 1.00 0.00 WT3 H ATOM 40803 H2 TIP3 3700 62.865 81.271 56.307 1.00 0.00 WT3 H ATOM 40804 OH2 TIP3 3701 48.270 30.319 -7.949 1.00 0.00 WT3 O ATOM 40805 H1 TIP3 3701 48.481 29.651 -8.602 1.00 0.00 WT3 H ATOM 40806 H2 TIP3 3701 48.666 29.995 -7.140 1.00 0.00 WT3 H ATOM 40807 OH2 TIP3 3703 37.029 57.411 47.161 1.00 0.00 WT3 O ATOM 40808 H1 TIP3 3703 36.815 58.318 46.941 1.00 0.00 WT3 H ATOM 40809 H2 TIP3 3703 37.964 57.332 46.972 1.00 0.00 WT3 H ATOM 40810 OH2 TIP3 3704 28.257 43.117 -3.145 1.00 0.00 WT3 O ATOM 40811 H1 TIP3 3704 27.379 43.496 -3.117 1.00 0.00 WT3 H ATOM 40812 H2 TIP3 3704 28.828 43.850 -3.375 1.00 0.00 WT3 H ATOM 40813 OH2 TIP3 3707 34.758 84.583 4.317 1.00 0.00 WT3 O ATOM 40814 H1 TIP3 3707 34.111 84.246 3.697 1.00 0.00 WT3 H ATOM 40815 H2 TIP3 3707 35.559 84.100 4.116 1.00 0.00 WT3 H ATOM 40816 OH2 TIP3 3708 82.577 53.032 22.305 1.00 0.00 WT3 O ATOM 40817 H1 TIP3 3708 82.995 53.759 22.766 1.00 0.00 WT3 H ATOM 40818 H2 TIP3 3708 82.423 53.365 21.421 1.00 0.00 WT3 H ATOM 40819 OH2 TIP3 3709 72.328 89.479 38.980 1.00 0.00 WT3 O ATOM 40820 H1 TIP3 3709 71.842 88.722 39.307 1.00 0.00 WT3 H ATOM 40821 H2 TIP3 3709 72.241 90.137 39.671 1.00 0.00 WT3 H ATOM 40822 OH2 TIP3 3710 73.987 85.635 38.093 1.00 0.00 WT3 O ATOM 40823 H1 TIP3 3710 74.162 85.677 39.034 1.00 0.00 WT3 H ATOM 40824 H2 TIP3 3710 73.155 85.168 38.025 1.00 0.00 WT3 H ATOM 40825 OH2 TIP3 3712 70.621 55.070 27.153 1.00 0.00 WT3 O ATOM 40826 H1 TIP3 3712 70.006 54.382 26.901 1.00 0.00 WT3 H ATOM 40827 H2 TIP3 3712 70.201 55.510 27.892 1.00 0.00 WT3 H ATOM 40828 OH2 TIP3 3715 62.492 74.748 31.874 1.00 0.00 WT3 O ATOM 40829 H1 TIP3 3715 62.599 73.834 31.610 1.00 0.00 WT3 H ATOM 40830 H2 TIP3 3715 61.876 75.111 31.237 1.00 0.00 WT3 H ATOM 40831 OH2 TIP3 3716 47.753 77.914 44.060 1.00 0.00 WT3 O ATOM 40832 H1 TIP3 3716 47.832 78.620 44.702 1.00 0.00 WT3 H ATOM 40833 H2 TIP3 3716 46.946 77.459 44.300 1.00 0.00 WT3 H ATOM 40834 OH2 TIP3 3717 89.441 3.899 40.157 1.00 0.00 WT3 O ATOM 40835 H1 TIP3 3717 89.386 3.252 40.860 1.00 0.00 WT3 H ATOM 40836 H2 TIP3 3717 89.362 3.387 39.352 1.00 0.00 WT3 H ATOM 40837 OH2 TIP3 3718 66.333 81.260 6.786 1.00 0.00 WT3 O ATOM 40838 H1 TIP3 3718 65.381 81.198 6.865 1.00 0.00 WT3 H ATOM 40839 H2 TIP3 3718 66.477 81.993 6.188 1.00 0.00 WT3 H ATOM 40840 OH2 TIP3 3720 53.647 56.122 62.050 1.00 0.00 WT3 O ATOM 40841 H1 TIP3 3720 53.178 56.860 61.661 1.00 0.00 WT3 H ATOM 40842 H2 TIP3 3720 52.961 55.588 62.452 1.00 0.00 WT3 H ATOM 40843 OH2 TIP3 3721 25.899 66.318 67.022 1.00 0.00 WT3 O ATOM 40844 H1 TIP3 3721 25.816 65.368 66.937 1.00 0.00 WT3 H ATOM 40845 H2 TIP3 3721 26.599 66.442 67.663 1.00 0.00 WT3 H ATOM 40846 OH2 TIP3 3722 33.794 79.379 53.941 1.00 0.00 WT3 O ATOM 40847 H1 TIP3 3722 33.697 78.773 53.206 1.00 0.00 WT3 H ATOM 40848 H2 TIP3 3722 33.225 80.116 53.720 1.00 0.00 WT3 H ATOM 40849 OH2 TIP3 3723 76.639 3.580 -12.310 1.00 0.00 WT3 O ATOM 40850 H1 TIP3 3723 75.853 3.382 -12.819 1.00 0.00 WT3 H ATOM 40851 H2 TIP3 3723 76.352 4.230 -11.668 1.00 0.00 WT3 H ATOM 40852 OH2 TIP3 3724 55.820 63.634 -12.201 1.00 0.00 WT3 O ATOM 40853 H1 TIP3 3724 54.863 63.632 -12.198 1.00 0.00 WT3 H ATOM 40854 H2 TIP3 3724 56.064 62.878 -11.666 1.00 0.00 WT3 H ATOM 40855 OH2 TIP3 3725 28.517 72.822 59.632 1.00 0.00 WT3 O ATOM 40856 H1 TIP3 3725 29.335 72.523 59.234 1.00 0.00 WT3 H ATOM 40857 H2 TIP3 3725 28.786 73.498 60.254 1.00 0.00 WT3 H ATOM 40858 OH2 TIP3 3726 32.448 16.736 20.894 1.00 0.00 WT3 O ATOM 40859 H1 TIP3 3726 33.212 16.206 21.121 1.00 0.00 WT3 H ATOM 40860 H2 TIP3 3726 32.537 16.897 19.955 1.00 0.00 WT3 H ATOM 40861 OH2 TIP3 3727 51.726 7.849 45.755 1.00 0.00 WT3 O ATOM 40862 H1 TIP3 3727 50.873 7.415 45.755 1.00 0.00 WT3 H ATOM 40863 H2 TIP3 3727 52.280 7.291 46.302 1.00 0.00 WT3 H ATOM 40864 OH2 TIP3 3728 60.780 22.951 26.721 1.00 0.00 WT3 O ATOM 40865 H1 TIP3 3728 60.014 22.858 26.154 1.00 0.00 WT3 H ATOM 40866 H2 TIP3 3728 60.957 23.892 26.734 1.00 0.00 WT3 H ATOM 40867 OH2 TIP3 3729 81.050 5.089 -17.436 1.00 0.00 WT3 O ATOM 40868 H1 TIP3 3729 81.790 5.104 -16.830 1.00 0.00 WT3 H ATOM 40869 H2 TIP3 3729 80.314 4.778 -16.909 1.00 0.00 WT3 H ATOM 40870 OH2 TIP3 3732 63.958 88.422 31.733 1.00 0.00 WT3 O ATOM 40871 H1 TIP3 3732 64.508 87.998 32.391 1.00 0.00 WT3 H ATOM 40872 H2 TIP3 3732 63.250 88.825 32.235 1.00 0.00 WT3 H ATOM 40873 OH2 TIP3 3733 27.163 36.225 36.742 1.00 0.00 WT3 O ATOM 40874 H1 TIP3 3733 26.808 37.061 36.439 1.00 0.00 WT3 H ATOM 40875 H2 TIP3 3733 26.489 35.583 36.519 1.00 0.00 WT3 H ATOM 40876 OH2 TIP3 3734 66.567 63.365 39.828 1.00 0.00 WT3 O ATOM 40877 H1 TIP3 3734 66.856 63.067 38.965 1.00 0.00 WT3 H ATOM 40878 H2 TIP3 3734 65.989 62.668 40.141 1.00 0.00 WT3 H ATOM 40879 OH2 TIP3 3736 79.509 83.151 57.948 1.00 0.00 WT3 O ATOM 40880 H1 TIP3 3736 79.149 83.948 57.559 1.00 0.00 WT3 H ATOM 40881 H2 TIP3 3736 80.253 83.453 58.468 1.00 0.00 WT3 H ATOM 40882 OH2 TIP3 3738 30.350 15.817 60.031 1.00 0.00 WT3 O ATOM 40883 H1 TIP3 3738 30.773 14.972 60.180 1.00 0.00 WT3 H ATOM 40884 H2 TIP3 3738 30.060 16.097 60.900 1.00 0.00 WT3 H ATOM 40885 OH2 TIP3 3740 82.592 59.688 10.525 1.00 0.00 WT3 O ATOM 40886 H1 TIP3 3740 81.910 59.024 10.424 1.00 0.00 WT3 H ATOM 40887 H2 TIP3 3740 83.368 59.197 10.794 1.00 0.00 WT3 H ATOM 40888 OH2 TIP3 3741 41.499 3.213 2.681 1.00 0.00 WT3 O ATOM 40889 H1 TIP3 3741 40.804 3.003 2.058 1.00 0.00 WT3 H ATOM 40890 H2 TIP3 3741 41.389 4.147 2.858 1.00 0.00 WT3 H ATOM 40891 OH2 TIP3 3742 58.037 57.100 59.186 1.00 0.00 WT3 O ATOM 40892 H1 TIP3 3742 58.470 56.331 58.817 1.00 0.00 WT3 H ATOM 40893 H2 TIP3 3742 57.170 56.787 59.444 1.00 0.00 WT3 H ATOM 40894 OH2 TIP3 3745 83.549 81.296 56.522 1.00 0.00 WT3 O ATOM 40895 H1 TIP3 3745 83.143 81.863 57.178 1.00 0.00 WT3 H ATOM 40896 H2 TIP3 3745 83.928 81.900 55.884 1.00 0.00 WT3 H ATOM 40897 OH2 TIP3 3750 25.356 29.083 43.097 1.00 0.00 WT3 O ATOM 40898 H1 TIP3 3750 26.014 28.587 43.585 1.00 0.00 WT3 H ATOM 40899 H2 TIP3 3750 24.609 29.141 43.692 1.00 0.00 WT3 H ATOM 40900 OH2 TIP3 3751 52.670 11.381 16.850 1.00 0.00 WT3 O ATOM 40901 H1 TIP3 3751 52.541 12.134 17.427 1.00 0.00 WT3 H ATOM 40902 H2 TIP3 3751 53.620 11.311 16.755 1.00 0.00 WT3 H ATOM 40903 OH2 TIP3 3753 37.303 81.008 13.216 1.00 0.00 WT3 O ATOM 40904 H1 TIP3 3753 37.914 81.164 12.497 1.00 0.00 WT3 H ATOM 40905 H2 TIP3 3753 37.854 80.709 13.940 1.00 0.00 WT3 H ATOM 40906 OH2 TIP3 3754 32.284 2.873 -12.488 1.00 0.00 WT3 O ATOM 40907 H1 TIP3 3754 32.991 2.644 -11.885 1.00 0.00 WT3 H ATOM 40908 H2 TIP3 3754 31.641 2.171 -12.382 1.00 0.00 WT3 H ATOM 40909 OH2 TIP3 3757 32.496 61.321 53.834 1.00 0.00 WT3 O ATOM 40910 H1 TIP3 3757 33.312 61.231 53.341 1.00 0.00 WT3 H ATOM 40911 H2 TIP3 3757 32.422 60.504 54.326 1.00 0.00 WT3 H ATOM 40912 OH2 TIP3 3759 46.272 53.144 -14.472 1.00 0.00 WT3 O ATOM 40913 H1 TIP3 3759 46.548 53.271 -13.564 1.00 0.00 WT3 H ATOM 40914 H2 TIP3 3759 46.838 53.727 -14.979 1.00 0.00 WT3 H ATOM 40915 OH2 TIP3 3775 79.936 17.315 56.152 1.00 0.00 WT3 O ATOM 40916 H1 TIP3 3775 80.287 17.833 56.877 1.00 0.00 WT3 H ATOM 40917 H2 TIP3 3775 79.609 17.964 55.529 1.00 0.00 WT3 H ATOM 40918 OH2 TIP3 3778 30.571 19.103 38.948 1.00 0.00 WT3 O ATOM 40919 H1 TIP3 3778 30.789 18.937 39.865 1.00 0.00 WT3 H ATOM 40920 H2 TIP3 3778 30.318 20.026 38.923 1.00 0.00 WT3 H ATOM 40921 OH2 TIP3 3787 44.723 76.456 29.743 1.00 0.00 WT3 O ATOM 40922 H1 TIP3 3787 44.398 75.885 29.047 1.00 0.00 WT3 H ATOM 40923 H2 TIP3 3787 45.673 76.343 29.723 1.00 0.00 WT3 H ATOM 40924 OH2 TIP3 3792 64.096 59.743 -10.004 1.00 0.00 WT3 O ATOM 40925 H1 TIP3 3792 63.784 59.141 -10.680 1.00 0.00 WT3 H ATOM 40926 H2 TIP3 3792 64.636 59.201 -9.430 1.00 0.00 WT3 H ATOM 40927 OH2 TIP3 3795 76.058 81.250 27.001 1.00 0.00 WT3 O ATOM 40928 H1 TIP3 3795 75.452 81.071 26.283 1.00 0.00 WT3 H ATOM 40929 H2 TIP3 3795 76.125 82.205 27.027 1.00 0.00 WT3 H ATOM 40930 OH2 TIP3 3803 59.267 93.624 -11.374 1.00 0.00 WT3 O ATOM 40931 H1 TIP3 3803 59.558 93.513 -10.469 1.00 0.00 WT3 H ATOM 40932 H2 TIP3 3803 58.321 93.756 -11.308 1.00 0.00 WT3 H ATOM 40933 OH2 TIP3 3821 81.841 72.744 10.845 1.00 0.00 WT3 O ATOM 40934 H1 TIP3 3821 82.710 72.409 10.625 1.00 0.00 WT3 H ATOM 40935 H2 TIP3 3821 81.302 71.960 10.953 1.00 0.00 WT3 H ATOM 40936 OH2 TIP3 3829 23.991 35.934 8.952 1.00 0.00 WT3 O ATOM 40937 H1 TIP3 3829 24.639 36.505 9.365 1.00 0.00 WT3 H ATOM 40938 H2 TIP3 3829 23.155 36.205 9.331 1.00 0.00 WT3 H ATOM 40939 OH2 TIP3 3834 79.095 21.925 6.803 1.00 0.00 WT3 O ATOM 40940 H1 TIP3 3834 79.557 21.087 6.783 1.00 0.00 WT3 H ATOM 40941 H2 TIP3 3834 79.607 22.468 7.402 1.00 0.00 WT3 H ATOM 40942 OH2 TIP3 3906 25.327 31.671 57.788 1.00 0.00 WT3 O ATOM 40943 H1 TIP3 3906 25.681 31.958 58.629 1.00 0.00 WT3 H ATOM 40944 H2 TIP3 3906 25.191 30.729 57.894 1.00 0.00 WT3 H ATOM 40945 OH2 TIP3 3924 63.201 73.387 57.187 1.00 0.00 WT3 O ATOM 40946 H1 TIP3 3924 63.941 73.440 56.583 1.00 0.00 WT3 H ATOM 40947 H2 TIP3 3924 62.441 73.240 56.624 1.00 0.00 WT3 H ATOM 40948 OH2 TIP3 3925 48.800 82.745 36.411 1.00 0.00 WT3 O ATOM 40949 H1 TIP3 3925 48.857 82.588 35.469 1.00 0.00 WT3 H ATOM 40950 H2 TIP3 3925 49.245 83.582 36.542 1.00 0.00 WT3 H ATOM 40951 OH2 TIP3 3931 63.902 29.210 -8.198 1.00 0.00 WT3 O ATOM 40952 H1 TIP3 3931 63.428 29.699 -7.526 1.00 0.00 WT3 H ATOM 40953 H2 TIP3 3931 64.304 29.883 -8.747 1.00 0.00 WT3 H ATOM 40954 OH2 TIP3 3933 56.183 93.245 7.306 1.00 0.00 WT3 O ATOM 40955 H1 TIP3 3933 56.049 93.993 6.724 1.00 0.00 WT3 H ATOM 40956 H2 TIP3 3933 56.064 93.602 8.186 1.00 0.00 WT3 H ATOM 40957 OH2 TIP3 3935 71.999 49.893 52.996 1.00 0.00 WT3 O ATOM 40958 H1 TIP3 3935 71.741 50.147 53.882 1.00 0.00 WT3 H ATOM 40959 H2 TIP3 3935 71.241 50.110 52.453 1.00 0.00 WT3 H ATOM 40960 OH2 TIP3 3951 26.757 15.118 54.014 1.00 0.00 WT3 O ATOM 40961 H1 TIP3 3951 27.145 14.888 54.858 1.00 0.00 WT3 H ATOM 40962 H2 TIP3 3951 25.955 14.597 53.968 1.00 0.00 WT3 H ATOM 40963 OH2 TIP3 3953 56.301 59.410 15.888 1.00 0.00 WT3 O ATOM 40964 H1 TIP3 3953 56.033 60.083 15.261 1.00 0.00 WT3 H ATOM 40965 H2 TIP3 3953 56.629 59.901 16.641 1.00 0.00 WT3 H ATOM 40966 OH2 TIP3 3973 28.233 84.033 -7.034 1.00 0.00 WT3 O ATOM 40967 H1 TIP3 3973 27.503 84.648 -6.964 1.00 0.00 WT3 H ATOM 40968 H2 TIP3 3973 27.818 83.171 -7.076 1.00 0.00 WT3 H ATOM 40969 OH2 TIP3 3974 34.651 79.897 7.349 1.00 0.00 WT3 O ATOM 40970 H1 TIP3 3974 34.748 80.268 8.226 1.00 0.00 WT3 H ATOM 40971 H2 TIP3 3974 34.657 78.949 7.487 1.00 0.00 WT3 H ATOM 40972 OH2 TIP3 3975 61.907 39.483 4.424 1.00 0.00 WT3 O ATOM 40973 H1 TIP3 3975 61.206 40.055 4.737 1.00 0.00 WT3 H ATOM 40974 H2 TIP3 3975 61.941 39.637 3.480 1.00 0.00 WT3 H ATOM 40975 OH2 TIP3 3976 35.906 36.218 -18.613 1.00 0.00 WT3 O ATOM 40976 H1 TIP3 3976 35.492 35.647 -19.259 1.00 0.00 WT3 H ATOM 40977 H2 TIP3 3976 36.714 36.511 -19.034 1.00 0.00 WT3 H ATOM 40978 OH2 TIP3 3977 53.442 12.633 44.474 1.00 0.00 WT3 O ATOM 40979 H1 TIP3 3977 53.939 12.630 45.292 1.00 0.00 WT3 H ATOM 40980 H2 TIP3 3977 53.027 11.771 44.443 1.00 0.00 WT3 H ATOM 40981 OH2 TIP3 3986 52.101 89.170 38.972 1.00 0.00 WT3 O ATOM 40982 H1 TIP3 3986 52.558 89.698 39.626 1.00 0.00 WT3 H ATOM 40983 H2 TIP3 3986 52.800 88.729 38.488 1.00 0.00 WT3 H ATOM 40984 OH2 TIP3 3991 53.673 86.319 0.811 1.00 0.00 WT3 O ATOM 40985 H1 TIP3 3991 52.721 86.232 0.751 1.00 0.00 WT3 H ATOM 40986 H2 TIP3 3991 53.922 85.734 1.526 1.00 0.00 WT3 H ATOM 40987 OH2 TIP3 3992 74.636 57.186 2.131 1.00 0.00 WT3 O ATOM 40988 H1 TIP3 3992 74.668 57.482 3.041 1.00 0.00 WT3 H ATOM 40989 H2 TIP3 3992 73.704 57.193 1.909 1.00 0.00 WT3 H ATOM 40990 OH2 TIP3 3993 75.743 53.191 51.760 1.00 0.00 WT3 O ATOM 40991 H1 TIP3 3993 75.164 52.653 51.220 1.00 0.00 WT3 H ATOM 40992 H2 TIP3 3993 75.212 53.951 51.997 1.00 0.00 WT3 H ATOM 40993 OH2 TIP3 3995 84.117 88.886 -6.577 1.00 0.00 WT3 O ATOM 40994 H1 TIP3 3995 83.619 88.334 -7.181 1.00 0.00 WT3 H ATOM 40995 H2 TIP3 3995 84.682 89.411 -7.143 1.00 0.00 WT3 H ATOM 40996 OH2 TIP3 3996 47.841 21.137 -14.891 1.00 0.00 WT3 O ATOM 40997 H1 TIP3 3996 48.605 21.663 -14.655 1.00 0.00 WT3 H ATOM 40998 H2 TIP3 3996 47.340 21.064 -14.079 1.00 0.00 WT3 H ATOM 40999 OH2 TIP3 3997 55.797 13.650 55.681 1.00 0.00 WT3 O ATOM 41000 H1 TIP3 3997 55.324 13.258 54.948 1.00 0.00 WT3 H ATOM 41001 H2 TIP3 3997 55.440 14.536 55.751 1.00 0.00 WT3 H ATOM 41002 OH2 TIP3 4000 60.222 13.697 -4.216 1.00 0.00 WT3 O ATOM 41003 H1 TIP3 4000 60.691 13.220 -4.901 1.00 0.00 WT3 H ATOM 41004 H2 TIP3 4000 60.382 14.620 -4.414 1.00 0.00 WT3 H ATOM 41005 OH2 TIP3 4001 33.222 49.598 2.558 1.00 0.00 WT3 O ATOM 41006 H1 TIP3 4001 32.937 50.447 2.897 1.00 0.00 WT3 H ATOM 41007 H2 TIP3 4001 34.164 49.699 2.419 1.00 0.00 WT3 H ATOM 41008 OH2 TIP3 4007 75.829 91.619 14.744 1.00 0.00 WT3 O ATOM 41009 H1 TIP3 4007 76.019 90.845 14.214 1.00 0.00 WT3 H ATOM 41010 H2 TIP3 4007 74.873 91.660 14.777 1.00 0.00 WT3 H ATOM 41011 OH2 TIP3 4009 90.915 49.827 37.558 1.00 0.00 WT3 O ATOM 41012 H1 TIP3 4009 90.148 50.152 37.088 1.00 0.00 WT3 H ATOM 41013 H2 TIP3 4009 90.872 48.876 37.461 1.00 0.00 WT3 H ATOM 41014 OH2 TIP3 4010 79.515 8.974 -17.047 1.00 0.00 WT3 O ATOM 41015 H1 TIP3 4010 79.610 8.566 -17.907 1.00 0.00 WT3 H ATOM 41016 H2 TIP3 4010 78.861 8.438 -16.597 1.00 0.00 WT3 H ATOM 41017 OH2 TIP3 4012 59.785 53.838 -2.037 1.00 0.00 WT3 O ATOM 41018 H1 TIP3 4012 60.317 54.412 -1.485 1.00 0.00 WT3 H ATOM 41019 H2 TIP3 4012 59.039 54.379 -2.296 1.00 0.00 WT3 H ATOM 41020 OH2 TIP3 4013 59.804 68.574 37.299 1.00 0.00 WT3 O ATOM 41021 H1 TIP3 4013 59.479 67.831 37.807 1.00 0.00 WT3 H ATOM 41022 H2 TIP3 4013 59.194 68.648 36.565 1.00 0.00 WT3 H ATOM 41023 OH2 TIP3 4014 84.303 57.119 60.662 1.00 0.00 WT3 O ATOM 41024 H1 TIP3 4014 84.705 57.987 60.693 1.00 0.00 WT3 H ATOM 41025 H2 TIP3 4014 83.867 57.087 59.810 1.00 0.00 WT3 H ATOM 41026 OH2 TIP3 4015 57.450 74.372 37.135 1.00 0.00 WT3 O ATOM 41027 H1 TIP3 4015 57.236 73.749 37.830 1.00 0.00 WT3 H ATOM 41028 H2 TIP3 4015 56.625 74.500 36.666 1.00 0.00 WT3 H ATOM 41029 OH2 TIP3 4016 82.285 77.427 -17.289 1.00 0.00 WT3 O ATOM 41030 H1 TIP3 4016 82.967 77.534 -17.951 1.00 0.00 WT3 H ATOM 41031 H2 TIP3 4016 82.505 76.607 -16.847 1.00 0.00 WT3 H ATOM 41032 OH2 TIP3 4017 40.721 0.955 -3.363 1.00 0.00 WT3 O ATOM 41033 H1 TIP3 4017 40.879 0.796 -2.432 1.00 0.00 WT3 H ATOM 41034 H2 TIP3 4017 40.395 0.120 -3.697 1.00 0.00 WT3 H ATOM 41035 OH2 TIP3 4018 54.628 77.232 1.275 1.00 0.00 WT3 O ATOM 41036 H1 TIP3 4018 54.729 77.875 1.977 1.00 0.00 WT3 H ATOM 41037 H2 TIP3 4018 55.307 76.580 1.448 1.00 0.00 WT3 H ATOM 41038 OH2 TIP3 4019 41.474 80.117 24.004 1.00 0.00 WT3 O ATOM 41039 H1 TIP3 4019 41.138 79.363 23.520 1.00 0.00 WT3 H ATOM 41040 H2 TIP3 4019 42.183 79.762 24.540 1.00 0.00 WT3 H ATOM 41041 OH2 TIP3 4020 75.678 70.852 63.109 1.00 0.00 WT3 O ATOM 41042 H1 TIP3 4020 75.980 70.030 63.496 1.00 0.00 WT3 H ATOM 41043 H2 TIP3 4020 74.836 71.020 63.532 1.00 0.00 WT3 H ATOM 41044 OH2 TIP3 4021 76.950 69.661 17.977 1.00 0.00 WT3 O ATOM 41045 H1 TIP3 4021 76.463 70.380 17.572 1.00 0.00 WT3 H ATOM 41046 H2 TIP3 4021 76.979 68.982 17.303 1.00 0.00 WT3 H ATOM 41047 OH2 TIP3 4022 65.120 42.777 1.356 1.00 0.00 WT3 O ATOM 41048 H1 TIP3 4022 64.354 42.849 1.925 1.00 0.00 WT3 H ATOM 41049 H2 TIP3 4022 65.341 43.682 1.135 1.00 0.00 WT3 H ATOM 41050 OH2 TIP3 4025 87.055 92.768 23.993 1.00 0.00 WT3 O ATOM 41051 H1 TIP3 4025 87.857 92.249 24.052 1.00 0.00 WT3 H ATOM 41052 H2 TIP3 4025 86.368 92.127 23.809 1.00 0.00 WT3 H ATOM 41053 OH2 TIP3 4026 76.185 57.829 27.703 1.00 0.00 WT3 O ATOM 41054 H1 TIP3 4026 75.417 58.380 27.553 1.00 0.00 WT3 H ATOM 41055 H2 TIP3 4026 76.057 57.076 27.126 1.00 0.00 WT3 H ATOM 41056 OH2 TIP3 4030 83.286 89.201 -18.634 1.00 0.00 WT3 O ATOM 41057 H1 TIP3 4030 83.777 89.326 -19.446 1.00 0.00 WT3 H ATOM 41058 H2 TIP3 4030 82.414 89.546 -18.825 1.00 0.00 WT3 H ATOM 41059 OH2 TIP3 4032 48.630 71.057 25.324 1.00 0.00 WT3 O ATOM 41060 H1 TIP3 4032 48.102 70.523 24.731 1.00 0.00 WT3 H ATOM 41061 H2 TIP3 4032 49.521 70.725 25.217 1.00 0.00 WT3 H ATOM 41062 OH2 TIP3 4035 25.932 33.825 8.559 1.00 0.00 WT3 O ATOM 41063 H1 TIP3 4035 26.617 34.131 9.154 1.00 0.00 WT3 H ATOM 41064 H2 TIP3 4035 25.223 34.460 8.662 1.00 0.00 WT3 H ATOM 41065 OH2 TIP3 4036 39.881 95.095 65.439 1.00 0.00 WT3 O ATOM 41066 H1 TIP3 4036 40.828 95.190 65.538 1.00 0.00 WT3 H ATOM 41067 H2 TIP3 4036 39.526 95.326 66.297 1.00 0.00 WT3 H ATOM 41068 OH2 TIP3 4037 64.923 63.253 -7.283 1.00 0.00 WT3 O ATOM 41069 H1 TIP3 4037 64.049 63.029 -6.965 1.00 0.00 WT3 H ATOM 41070 H2 TIP3 4037 65.405 63.514 -6.498 1.00 0.00 WT3 H ATOM 41071 OH2 TIP3 4039 83.203 28.148 52.576 1.00 0.00 WT3 O ATOM 41072 H1 TIP3 4039 83.431 27.925 51.673 1.00 0.00 WT3 H ATOM 41073 H2 TIP3 4039 83.970 28.612 52.910 1.00 0.00 WT3 H ATOM 41074 OH2 TIP3 4040 48.240 23.876 64.462 1.00 0.00 WT3 O ATOM 41075 H1 TIP3 4040 49.190 23.939 64.566 1.00 0.00 WT3 H ATOM 41076 H2 TIP3 4040 47.966 24.761 64.222 1.00 0.00 WT3 H ATOM 41077 OH2 TIP3 4043 34.037 93.276 -10.609 1.00 0.00 WT3 O ATOM 41078 H1 TIP3 4043 34.860 93.466 -11.060 1.00 0.00 WT3 H ATOM 41079 H2 TIP3 4043 34.203 93.514 -9.697 1.00 0.00 WT3 H ATOM 41080 OH2 TIP3 4044 58.469 21.605 36.526 1.00 0.00 WT3 O ATOM 41081 H1 TIP3 4044 59.090 22.333 36.507 1.00 0.00 WT3 H ATOM 41082 H2 TIP3 4044 57.673 21.959 36.130 1.00 0.00 WT3 H ATOM 41083 OH2 TIP3 4045 82.125 50.377 18.140 1.00 0.00 WT3 O ATOM 41084 H1 TIP3 4045 82.314 49.611 18.682 1.00 0.00 WT3 H ATOM 41085 H2 TIP3 4045 81.170 50.396 18.077 1.00 0.00 WT3 H ATOM 41086 OH2 TIP3 4047 39.711 24.060 35.877 1.00 0.00 WT3 O ATOM 41087 H1 TIP3 4047 40.055 23.705 35.057 1.00 0.00 WT3 H ATOM 41088 H2 TIP3 4047 40.316 24.767 36.104 1.00 0.00 WT3 H ATOM 41089 OH2 TIP3 4050 31.409 70.365 19.116 1.00 0.00 WT3 O ATOM 41090 H1 TIP3 4050 30.481 70.174 18.986 1.00 0.00 WT3 H ATOM 41091 H2 TIP3 4050 31.728 69.645 19.660 1.00 0.00 WT3 H ATOM 41092 OH2 TIP3 4052 43.136 71.205 24.879 1.00 0.00 WT3 O ATOM 41093 H1 TIP3 4052 43.897 70.924 25.387 1.00 0.00 WT3 H ATOM 41094 H2 TIP3 4052 43.476 71.877 24.288 1.00 0.00 WT3 H ATOM 41095 OH2 TIP3 4053 33.292 75.681 18.874 1.00 0.00 WT3 O ATOM 41096 H1 TIP3 4053 33.239 74.897 18.327 1.00 0.00 WT3 H ATOM 41097 H2 TIP3 4053 34.230 75.817 19.008 1.00 0.00 WT3 H ATOM 41098 OH2 TIP3 4054 78.388 87.484 25.712 1.00 0.00 WT3 O ATOM 41099 H1 TIP3 4054 77.462 87.274 25.836 1.00 0.00 WT3 H ATOM 41100 H2 TIP3 4054 78.829 86.635 25.710 1.00 0.00 WT3 H ATOM 41101 OH2 TIP3 4055 52.556 91.080 44.606 1.00 0.00 WT3 O ATOM 41102 H1 TIP3 4055 52.660 91.925 44.169 1.00 0.00 WT3 H ATOM 41103 H2 TIP3 4055 53.279 91.043 45.232 1.00 0.00 WT3 H ATOM 41104 OH2 TIP3 4056 90.055 87.598 25.331 1.00 0.00 WT3 O ATOM 41105 H1 TIP3 4056 89.539 88.195 24.790 1.00 0.00 WT3 H ATOM 41106 H2 TIP3 4056 89.455 86.880 25.536 1.00 0.00 WT3 H ATOM 41107 OH2 TIP3 4057 60.724 58.830 66.679 1.00 0.00 WT3 O ATOM 41108 H1 TIP3 4057 60.646 59.620 67.213 1.00 0.00 WT3 H ATOM 41109 H2 TIP3 4057 61.620 58.855 66.343 1.00 0.00 WT3 H ATOM 41110 OH2 TIP3 4059 64.686 84.829 18.693 1.00 0.00 WT3 O ATOM 41111 H1 TIP3 4059 64.090 85.200 18.041 1.00 0.00 WT3 H ATOM 41112 H2 TIP3 4059 64.301 85.073 19.535 1.00 0.00 WT3 H ATOM 41113 OH2 TIP3 4060 59.108 84.630 22.903 1.00 0.00 WT3 O ATOM 41114 H1 TIP3 4060 58.694 83.839 22.557 1.00 0.00 WT3 H ATOM 41115 H2 TIP3 4060 58.434 85.035 23.449 1.00 0.00 WT3 H ATOM 41116 OH2 TIP3 4061 61.835 72.250 37.227 1.00 0.00 WT3 O ATOM 41117 H1 TIP3 4061 61.713 71.438 37.718 1.00 0.00 WT3 H ATOM 41118 H2 TIP3 4061 61.526 72.046 36.345 1.00 0.00 WT3 H ATOM 41119 OH2 TIP3 4063 43.861 16.318 43.639 1.00 0.00 WT3 O ATOM 41120 H1 TIP3 4063 44.709 15.984 43.933 1.00 0.00 WT3 H ATOM 41121 H2 TIP3 4063 43.596 15.719 42.942 1.00 0.00 WT3 H ATOM 41122 OH2 TIP3 4064 67.827 10.350 2.084 1.00 0.00 WT3 O ATOM 41123 H1 TIP3 4064 67.122 10.884 2.449 1.00 0.00 WT3 H ATOM 41124 H2 TIP3 4064 68.077 9.763 2.797 1.00 0.00 WT3 H ATOM 41125 OH2 TIP3 4065 89.639 3.013 48.508 1.00 0.00 WT3 O ATOM 41126 H1 TIP3 4065 89.900 3.094 47.590 1.00 0.00 WT3 H ATOM 41127 H2 TIP3 4065 88.779 3.430 48.550 1.00 0.00 WT3 H ATOM 41128 OH2 TIP3 4066 58.908 85.580 66.516 1.00 0.00 WT3 O ATOM 41129 H1 TIP3 4066 58.689 85.156 65.686 1.00 0.00 WT3 H ATOM 41130 H2 TIP3 4066 59.806 85.890 66.398 1.00 0.00 WT3 H ATOM 41131 OH2 TIP3 4067 77.284 61.466 -19.244 1.00 0.00 WT3 O ATOM 41132 H1 TIP3 4067 77.621 60.614 -18.966 1.00 0.00 WT3 H ATOM 41133 H2 TIP3 4067 76.927 61.856 -18.447 1.00 0.00 WT3 H ATOM 41134 OH2 TIP3 4068 53.830 7.185 -8.802 1.00 0.00 WT3 O ATOM 41135 H1 TIP3 4068 53.133 7.364 -9.433 1.00 0.00 WT3 H ATOM 41136 H2 TIP3 4068 54.625 7.131 -9.332 1.00 0.00 WT3 H ATOM 41137 OH2 TIP3 4069 54.368 66.810 40.761 1.00 0.00 WT3 O ATOM 41138 H1 TIP3 4069 54.758 66.539 39.930 1.00 0.00 WT3 H ATOM 41139 H2 TIP3 4069 53.838 66.061 41.033 1.00 0.00 WT3 H ATOM 41140 OH2 TIP3 4072 77.114 76.095 66.644 1.00 0.00 WT3 O ATOM 41141 H1 TIP3 4072 76.731 76.943 66.420 1.00 0.00 WT3 H ATOM 41142 H2 TIP3 4072 77.597 75.834 65.860 1.00 0.00 WT3 H ATOM 41143 OH2 TIP3 4073 69.126 64.344 10.421 1.00 0.00 WT3 O ATOM 41144 H1 TIP3 4073 68.259 64.006 10.198 1.00 0.00 WT3 H ATOM 41145 H2 TIP3 4073 69.643 63.564 10.622 1.00 0.00 WT3 H ATOM 41146 OH2 TIP3 4074 82.137 85.859 2.639 1.00 0.00 WT3 O ATOM 41147 H1 TIP3 4074 82.222 85.734 3.584 1.00 0.00 WT3 H ATOM 41148 H2 TIP3 4074 81.928 86.788 2.538 1.00 0.00 WT3 H ATOM 41149 OH2 TIP3 4075 37.397 94.820 40.620 1.00 0.00 WT3 O ATOM 41150 H1 TIP3 4075 36.738 95.358 40.180 1.00 0.00 WT3 H ATOM 41151 H2 TIP3 4075 38.205 95.329 40.555 1.00 0.00 WT3 H ATOM 41152 OH2 TIP3 4076 75.912 40.544 -3.399 1.00 0.00 WT3 O ATOM 41153 H1 TIP3 4076 76.405 39.758 -3.166 1.00 0.00 WT3 H ATOM 41154 H2 TIP3 4076 75.667 40.412 -4.314 1.00 0.00 WT3 H ATOM 41155 OH2 TIP3 4077 28.231 70.548 7.886 1.00 0.00 WT3 O ATOM 41156 H1 TIP3 4077 29.120 70.239 7.709 1.00 0.00 WT3 H ATOM 41157 H2 TIP3 4077 27.767 70.430 7.058 1.00 0.00 WT3 H ATOM 41158 OH2 TIP3 4078 50.380 59.933 60.199 1.00 0.00 WT3 O ATOM 41159 H1 TIP3 4078 50.010 59.618 59.374 1.00 0.00 WT3 H ATOM 41160 H2 TIP3 4078 49.668 60.423 60.610 1.00 0.00 WT3 H ATOM 41161 OH2 TIP3 4079 23.392 34.266 45.201 1.00 0.00 WT3 O ATOM 41162 H1 TIP3 4079 22.449 34.207 45.353 1.00 0.00 WT3 H ATOM 41163 H2 TIP3 4079 23.496 35.028 44.632 1.00 0.00 WT3 H ATOM 41164 OH2 TIP3 4080 57.824 19.359 30.409 1.00 0.00 WT3 O ATOM 41165 H1 TIP3 4080 58.319 18.867 31.065 1.00 0.00 WT3 H ATOM 41166 H2 TIP3 4080 58.437 19.477 29.684 1.00 0.00 WT3 H ATOM 41167 OH2 TIP3 4081 86.301 56.204 31.709 1.00 0.00 WT3 O ATOM 41168 H1 TIP3 4081 85.834 57.038 31.758 1.00 0.00 WT3 H ATOM 41169 H2 TIP3 4081 85.613 55.541 31.759 1.00 0.00 WT3 H ATOM 41170 OH2 TIP3 4083 45.730 94.058 -19.872 1.00 0.00 WT3 O ATOM 41171 H1 TIP3 4083 46.571 94.169 -20.315 1.00 0.00 WT3 H ATOM 41172 H2 TIP3 4083 45.940 93.565 -19.079 1.00 0.00 WT3 H ATOM 41173 OH2 TIP3 4085 35.723 62.582 23.443 1.00 0.00 WT3 O ATOM 41174 H1 TIP3 4085 36.280 62.736 22.680 1.00 0.00 WT3 H ATOM 41175 H2 TIP3 4085 36.337 62.421 24.160 1.00 0.00 WT3 H ATOM 41176 OH2 TIP3 4086 31.653 66.502 -3.411 1.00 0.00 WT3 O ATOM 41177 H1 TIP3 4086 32.288 67.159 -3.125 1.00 0.00 WT3 H ATOM 41178 H2 TIP3 4086 31.790 65.762 -2.820 1.00 0.00 WT3 H ATOM 41179 OH2 TIP3 4087 50.330 79.620 33.817 1.00 0.00 WT3 O ATOM 41180 H1 TIP3 4087 50.483 78.678 33.745 1.00 0.00 WT3 H ATOM 41181 H2 TIP3 4087 49.407 79.696 34.059 1.00 0.00 WT3 H ATOM 41182 OH2 TIP3 4089 46.017 5.412 18.848 1.00 0.00 WT3 O ATOM 41183 H1 TIP3 4089 46.080 4.572 18.394 1.00 0.00 WT3 H ATOM 41184 H2 TIP3 4089 45.501 5.964 18.260 1.00 0.00 WT3 H ATOM 41185 OH2 TIP3 4091 89.221 67.752 35.371 1.00 0.00 WT3 O ATOM 41186 H1 TIP3 4091 89.762 68.093 34.659 1.00 0.00 WT3 H ATOM 41187 H2 TIP3 4091 88.590 67.177 34.938 1.00 0.00 WT3 H ATOM 41188 OH2 TIP3 4092 81.606 48.767 36.050 1.00 0.00 WT3 O ATOM 41189 H1 TIP3 4092 80.906 49.384 36.261 1.00 0.00 WT3 H ATOM 41190 H2 TIP3 4092 81.422 47.999 36.592 1.00 0.00 WT3 H ATOM 41191 OH2 TIP3 4093 40.706 90.769 51.612 1.00 0.00 WT3 O ATOM 41192 H1 TIP3 4093 41.067 91.409 50.999 1.00 0.00 WT3 H ATOM 41193 H2 TIP3 4093 39.910 90.451 51.186 1.00 0.00 WT3 H ATOM 41194 OH2 TIP3 4096 44.952 2.377 13.030 1.00 0.00 WT3 O ATOM 41195 H1 TIP3 4096 45.512 2.102 13.756 1.00 0.00 WT3 H ATOM 41196 H2 TIP3 4096 44.310 1.673 12.942 1.00 0.00 WT3 H ATOM 41197 OH2 TIP3 4097 32.328 7.899 -19.217 1.00 0.00 WT3 O ATOM 41198 H1 TIP3 4097 31.966 7.210 -19.774 1.00 0.00 WT3 H ATOM 41199 H2 TIP3 4097 31.933 7.746 -18.359 1.00 0.00 WT3 H ATOM 41200 OH2 TIP3 4098 43.130 71.930 53.225 1.00 0.00 WT3 O ATOM 41201 H1 TIP3 4098 42.504 72.258 52.579 1.00 0.00 WT3 H ATOM 41202 H2 TIP3 4098 43.362 71.056 52.912 1.00 0.00 WT3 H ATOM 41203 OH2 TIP3 4099 53.527 84.464 28.387 1.00 0.00 WT3 O ATOM 41204 H1 TIP3 4099 52.649 84.372 28.017 1.00 0.00 WT3 H ATOM 41205 H2 TIP3 4099 54.027 83.746 27.998 1.00 0.00 WT3 H ATOM 41206 OH2 TIP3 4101 52.156 66.402 59.513 1.00 0.00 WT3 O ATOM 41207 H1 TIP3 4101 51.944 67.050 58.841 1.00 0.00 WT3 H ATOM 41208 H2 TIP3 4101 53.054 66.136 59.315 1.00 0.00 WT3 H ATOM 41209 OH2 TIP3 4102 52.837 15.177 41.044 1.00 0.00 WT3 O ATOM 41210 H1 TIP3 4102 53.007 14.516 40.372 1.00 0.00 WT3 H ATOM 41211 H2 TIP3 4102 52.856 16.009 40.571 1.00 0.00 WT3 H ATOM 41212 OH2 TIP3 4103 25.789 82.797 48.878 1.00 0.00 WT3 O ATOM 41213 H1 TIP3 4103 26.668 82.454 49.036 1.00 0.00 WT3 H ATOM 41214 H2 TIP3 4103 25.517 83.158 49.722 1.00 0.00 WT3 H ATOM 41215 OH2 TIP3 4104 74.243 41.467 28.649 1.00 0.00 WT3 O ATOM 41216 H1 TIP3 4104 73.998 40.819 27.988 1.00 0.00 WT3 H ATOM 41217 H2 TIP3 4104 73.873 42.289 28.327 1.00 0.00 WT3 H ATOM 41218 OH2 TIP3 4105 60.106 94.945 50.846 1.00 0.00 WT3 O ATOM 41219 H1 TIP3 4105 60.257 94.010 50.707 1.00 0.00 WT3 H ATOM 41220 H2 TIP3 4105 60.847 95.374 50.417 1.00 0.00 WT3 H ATOM 41221 OH2 TIP3 4108 26.209 25.870 54.227 1.00 0.00 WT3 O ATOM 41222 H1 TIP3 4108 26.566 26.749 54.358 1.00 0.00 WT3 H ATOM 41223 H2 TIP3 4108 26.878 25.413 53.717 1.00 0.00 WT3 H ATOM 41224 OH2 TIP3 4109 57.563 19.944 -0.938 1.00 0.00 WT3 O ATOM 41225 H1 TIP3 4109 57.598 20.511 -0.168 1.00 0.00 WT3 H ATOM 41226 H2 TIP3 4109 58.466 19.914 -1.255 1.00 0.00 WT3 H ATOM 41227 OH2 TIP3 4110 62.143 14.954 26.746 1.00 0.00 WT3 O ATOM 41228 H1 TIP3 4110 61.757 14.983 27.621 1.00 0.00 WT3 H ATOM 41229 H2 TIP3 4110 61.528 15.442 26.197 1.00 0.00 WT3 H ATOM 41230 OH2 TIP3 4111 67.670 86.571 61.883 1.00 0.00 WT3 O ATOM 41231 H1 TIP3 4111 67.583 87.360 62.418 1.00 0.00 WT3 H ATOM 41232 H2 TIP3 4111 68.208 86.844 61.139 1.00 0.00 WT3 H ATOM 41233 OH2 TIP3 4112 77.576 82.568 55.149 1.00 0.00 WT3 O ATOM 41234 H1 TIP3 4112 78.101 82.072 54.521 1.00 0.00 WT3 H ATOM 41235 H2 TIP3 4112 77.109 81.900 55.651 1.00 0.00 WT3 H ATOM 41236 OH2 TIP3 4113 33.116 77.287 52.264 1.00 0.00 WT3 O ATOM 41237 H1 TIP3 4113 33.702 76.540 52.384 1.00 0.00 WT3 H ATOM 41238 H2 TIP3 4113 33.179 77.494 51.332 1.00 0.00 WT3 H ATOM 41239 OH2 TIP3 4114 54.442 2.183 12.479 1.00 0.00 WT3 O ATOM 41240 H1 TIP3 4114 55.363 2.096 12.723 1.00 0.00 WT3 H ATOM 41241 H2 TIP3 4114 54.110 2.884 13.041 1.00 0.00 WT3 H ATOM 41242 OH2 TIP3 4115 22.776 59.048 37.490 1.00 0.00 WT3 O ATOM 41243 H1 TIP3 4115 22.274 59.711 37.965 1.00 0.00 WT3 H ATOM 41244 H2 TIP3 4115 23.628 59.457 37.337 1.00 0.00 WT3 H ATOM 41245 OH2 TIP3 4116 54.740 29.395 5.177 1.00 0.00 WT3 O ATOM 41246 H1 TIP3 4116 55.284 29.979 5.705 1.00 0.00 WT3 H ATOM 41247 H2 TIP3 4116 53.920 29.874 5.057 1.00 0.00 WT3 H ATOM 41248 OH2 TIP3 4117 86.800 64.362 8.420 1.00 0.00 WT3 O ATOM 41249 H1 TIP3 4117 87.633 63.953 8.184 1.00 0.00 WT3 H ATOM 41250 H2 TIP3 4117 86.135 63.743 8.118 1.00 0.00 WT3 H ATOM 41251 OH2 TIP3 4118 68.307 61.575 23.415 1.00 0.00 WT3 O ATOM 41252 H1 TIP3 4118 67.926 62.441 23.268 1.00 0.00 WT3 H ATOM 41253 H2 TIP3 4118 67.829 60.998 22.820 1.00 0.00 WT3 H ATOM 41254 OH2 TIP3 4120 52.269 72.173 44.097 1.00 0.00 WT3 O ATOM 41255 H1 TIP3 4120 51.373 72.150 43.761 1.00 0.00 WT3 H ATOM 41256 H2 TIP3 4120 52.812 72.333 43.325 1.00 0.00 WT3 H ATOM 41257 OH2 TIP3 4121 54.503 58.317 58.966 1.00 0.00 WT3 O ATOM 41258 H1 TIP3 4121 55.018 57.520 59.095 1.00 0.00 WT3 H ATOM 41259 H2 TIP3 4121 54.710 58.595 58.074 1.00 0.00 WT3 H ATOM 41260 OH2 TIP3 4122 73.251 33.846 -19.147 1.00 0.00 WT3 O ATOM 41261 H1 TIP3 4122 72.693 34.339 -19.749 1.00 0.00 WT3 H ATOM 41262 H2 TIP3 4122 72.670 33.187 -18.768 1.00 0.00 WT3 H ATOM 41263 OH2 TIP3 4123 35.952 32.044 -1.861 1.00 0.00 WT3 O ATOM 41264 H1 TIP3 4123 36.509 31.403 -1.420 1.00 0.00 WT3 H ATOM 41265 H2 TIP3 4123 36.543 32.511 -2.451 1.00 0.00 WT3 H ATOM 41266 OH2 TIP3 4124 82.543 75.921 45.695 1.00 0.00 WT3 O ATOM 41267 H1 TIP3 4124 83.293 76.391 46.059 1.00 0.00 WT3 H ATOM 41268 H2 TIP3 4124 82.020 75.676 46.459 1.00 0.00 WT3 H ATOM 41269 OH2 TIP3 4127 44.961 73.937 31.985 1.00 0.00 WT3 O ATOM 41270 H1 TIP3 4127 45.372 74.250 32.791 1.00 0.00 WT3 H ATOM 41271 H2 TIP3 4127 45.585 73.305 31.627 1.00 0.00 WT3 H ATOM 41272 OH2 TIP3 4128 42.784 63.634 53.770 1.00 0.00 WT3 O ATOM 41273 H1 TIP3 4128 42.810 63.402 52.842 1.00 0.00 WT3 H ATOM 41274 H2 TIP3 4128 43.167 64.510 53.810 1.00 0.00 WT3 H ATOM 41275 OH2 TIP3 4129 32.017 95.683 24.549 1.00 0.00 WT3 O ATOM 41276 H1 TIP3 4129 31.572 95.219 25.258 1.00 0.00 WT3 H ATOM 41277 H2 TIP3 4129 32.349 94.988 23.980 1.00 0.00 WT3 H ATOM 41278 OH2 TIP3 4130 53.243 19.826 49.152 1.00 0.00 WT3 O ATOM 41279 H1 TIP3 4130 54.081 19.456 48.873 1.00 0.00 WT3 H ATOM 41280 H2 TIP3 4130 52.591 19.188 48.863 1.00 0.00 WT3 H ATOM 41281 OH2 TIP3 4131 82.001 77.691 3.876 1.00 0.00 WT3 O ATOM 41282 H1 TIP3 4131 81.952 76.775 3.603 1.00 0.00 WT3 H ATOM 41283 H2 TIP3 4131 82.799 78.022 3.462 1.00 0.00 WT3 H ATOM 41284 OH2 TIP3 4132 29.354 51.518 29.062 1.00 0.00 WT3 O ATOM 41285 H1 TIP3 4132 29.139 52.401 28.762 1.00 0.00 WT3 H ATOM 41286 H2 TIP3 4132 30.128 51.634 29.613 1.00 0.00 WT3 H ATOM 41287 OH2 TIP3 4134 63.552 81.029 13.905 1.00 0.00 WT3 O ATOM 41288 H1 TIP3 4134 64.497 81.116 13.784 1.00 0.00 WT3 H ATOM 41289 H2 TIP3 4134 63.309 80.278 13.364 1.00 0.00 WT3 H ATOM 41290 OH2 TIP3 4136 38.525 2.938 -12.346 1.00 0.00 WT3 O ATOM 41291 H1 TIP3 4136 38.884 2.340 -11.691 1.00 0.00 WT3 H ATOM 41292 H2 TIP3 4136 38.487 3.786 -11.903 1.00 0.00 WT3 H ATOM 41293 OH2 TIP3 4137 49.276 70.679 43.040 1.00 0.00 WT3 O ATOM 41294 H1 TIP3 4137 49.180 69.745 43.226 1.00 0.00 WT3 H ATOM 41295 H2 TIP3 4137 48.426 70.943 42.690 1.00 0.00 WT3 H ATOM 41296 OH2 TIP3 4138 25.168 63.443 66.243 1.00 0.00 WT3 O ATOM 41297 H1 TIP3 4138 25.401 62.817 66.929 1.00 0.00 WT3 H ATOM 41298 H2 TIP3 4138 24.819 62.903 65.534 1.00 0.00 WT3 H ATOM 41299 OH2 TIP3 4139 79.040 3.608 7.206 1.00 0.00 WT3 O ATOM 41300 H1 TIP3 4139 79.794 4.196 7.173 1.00 0.00 WT3 H ATOM 41301 H2 TIP3 4139 79.348 2.849 7.701 1.00 0.00 WT3 H ATOM 41302 OH2 TIP3 4141 38.924 51.662 -15.676 1.00 0.00 WT3 O ATOM 41303 H1 TIP3 4141 39.406 50.858 -15.868 1.00 0.00 WT3 H ATOM 41304 H2 TIP3 4141 38.017 51.458 -15.902 1.00 0.00 WT3 H ATOM 41305 OH2 TIP3 4142 46.153 85.769 13.650 1.00 0.00 WT3 O ATOM 41306 H1 TIP3 4142 46.013 85.220 12.879 1.00 0.00 WT3 H ATOM 41307 H2 TIP3 4142 46.856 85.331 14.132 1.00 0.00 WT3 H ATOM 41308 OH2 TIP3 4143 62.694 62.629 -3.498 1.00 0.00 WT3 O ATOM 41309 H1 TIP3 4143 62.043 61.969 -3.260 1.00 0.00 WT3 H ATOM 41310 H2 TIP3 4143 63.442 62.445 -2.930 1.00 0.00 WT3 H ATOM 41311 OH2 TIP3 4144 57.716 60.958 18.004 1.00 0.00 WT3 O ATOM 41312 H1 TIP3 4144 58.624 61.261 18.026 1.00 0.00 WT3 H ATOM 41313 H2 TIP3 4144 57.665 60.300 18.696 1.00 0.00 WT3 H ATOM 41314 OH2 TIP3 4145 33.798 93.253 27.451 1.00 0.00 WT3 O ATOM 41315 H1 TIP3 4145 33.950 93.333 28.392 1.00 0.00 WT3 H ATOM 41316 H2 TIP3 4145 34.306 92.484 27.191 1.00 0.00 WT3 H ATOM 41317 OH2 TIP3 4146 38.565 88.867 15.444 1.00 0.00 WT3 O ATOM 41318 H1 TIP3 4146 37.917 88.169 15.539 1.00 0.00 WT3 H ATOM 41319 H2 TIP3 4146 39.048 88.862 16.270 1.00 0.00 WT3 H ATOM 41320 OH2 TIP3 4151 20.758 82.005 38.213 1.00 0.00 WT3 O ATOM 41321 H1 TIP3 4151 20.236 82.799 38.327 1.00 0.00 WT3 H ATOM 41322 H2 TIP3 4151 20.730 81.575 39.068 1.00 0.00 WT3 H ATOM 41323 OH2 TIP3 4152 75.022 53.243 9.409 1.00 0.00 WT3 O ATOM 41324 H1 TIP3 4152 74.723 53.704 10.193 1.00 0.00 WT3 H ATOM 41325 H2 TIP3 4152 74.654 52.363 9.493 1.00 0.00 WT3 H ATOM 41326 OH2 TIP3 4154 71.829 87.248 25.933 1.00 0.00 WT3 O ATOM 41327 H1 TIP3 4154 72.382 86.498 25.714 1.00 0.00 WT3 H ATOM 41328 H2 TIP3 4154 72.446 87.949 26.140 1.00 0.00 WT3 H ATOM 41329 OH2 TIP3 4155 60.780 63.692 -16.355 1.00 0.00 WT3 O ATOM 41330 H1 TIP3 4155 60.862 62.829 -15.949 1.00 0.00 WT3 H ATOM 41331 H2 TIP3 4155 61.425 64.233 -15.900 1.00 0.00 WT3 H ATOM 41332 OH2 TIP3 4156 32.994 85.909 37.630 1.00 0.00 WT3 O ATOM 41333 H1 TIP3 4156 33.486 86.079 36.827 1.00 0.00 WT3 H ATOM 41334 H2 TIP3 4156 33.323 85.064 37.938 1.00 0.00 WT3 H ATOM 41335 OH2 TIP3 4157 67.321 34.657 -5.263 1.00 0.00 WT3 O ATOM 41336 H1 TIP3 4157 67.662 33.827 -4.931 1.00 0.00 WT3 H ATOM 41337 H2 TIP3 4157 67.811 35.326 -4.784 1.00 0.00 WT3 H ATOM 41338 OH2 TIP3 4160 21.334 10.226 63.036 1.00 0.00 WT3 O ATOM 41339 H1 TIP3 4160 21.717 10.320 62.164 1.00 0.00 WT3 H ATOM 41340 H2 TIP3 4160 22.087 10.146 63.621 1.00 0.00 WT3 H ATOM 41341 OH2 TIP3 4161 87.306 58.513 44.444 1.00 0.00 WT3 O ATOM 41342 H1 TIP3 4161 88.188 58.143 44.415 1.00 0.00 WT3 H ATOM 41343 H2 TIP3 4161 86.963 58.249 45.297 1.00 0.00 WT3 H ATOM 41344 OH2 TIP3 4162 90.322 4.895 5.951 1.00 0.00 WT3 O ATOM 41345 H1 TIP3 4162 89.726 5.134 6.661 1.00 0.00 WT3 H ATOM 41346 H2 TIP3 4162 90.299 5.645 5.356 1.00 0.00 WT3 H ATOM 41347 OH2 TIP3 4163 78.902 0.035 58.654 1.00 0.00 WT3 O ATOM 41348 H1 TIP3 4163 79.243 0.827 59.069 1.00 0.00 WT3 H ATOM 41349 H2 TIP3 4163 79.599 -0.244 58.060 1.00 0.00 WT3 H ATOM 41350 OH2 TIP3 4164 84.700 73.045 -1.121 1.00 0.00 WT3 O ATOM 41351 H1 TIP3 4164 84.353 72.153 -1.138 1.00 0.00 WT3 H ATOM 41352 H2 TIP3 4164 84.066 73.559 -1.622 1.00 0.00 WT3 H ATOM 41353 OH2 TIP3 4165 68.080 14.075 62.934 1.00 0.00 WT3 O ATOM 41354 H1 TIP3 4165 67.132 14.211 62.918 1.00 0.00 WT3 H ATOM 41355 H2 TIP3 4165 68.284 13.704 62.076 1.00 0.00 WT3 H ATOM 41356 OH2 TIP3 4166 88.477 20.354 -6.612 1.00 0.00 WT3 O ATOM 41357 H1 TIP3 4166 88.311 19.576 -6.079 1.00 0.00 WT3 H ATOM 41358 H2 TIP3 4166 88.146 20.125 -7.480 1.00 0.00 WT3 H ATOM 41359 OH2 TIP3 4173 88.915 68.871 45.582 1.00 0.00 WT3 O ATOM 41360 H1 TIP3 4173 88.479 69.198 44.795 1.00 0.00 WT3 H ATOM 41361 H2 TIP3 4173 89.499 68.182 45.265 1.00 0.00 WT3 H ATOM 41362 OH2 TIP3 4174 82.523 29.514 5.821 1.00 0.00 WT3 O ATOM 41363 H1 TIP3 4174 83.125 29.975 5.238 1.00 0.00 WT3 H ATOM 41364 H2 TIP3 4174 81.792 30.121 5.940 1.00 0.00 WT3 H ATOM 41365 OH2 TIP3 4175 69.953 58.569 1.845 1.00 0.00 WT3 O ATOM 41366 H1 TIP3 4175 69.689 58.497 2.762 1.00 0.00 WT3 H ATOM 41367 H2 TIP3 4175 70.855 58.886 1.879 1.00 0.00 WT3 H ATOM 41368 OH2 TIP3 4176 52.333 28.755 32.424 1.00 0.00 WT3 O ATOM 41369 H1 TIP3 4176 52.419 29.295 33.210 1.00 0.00 WT3 H ATOM 41370 H2 TIP3 4176 53.231 28.509 32.203 1.00 0.00 WT3 H ATOM 41371 OH2 TIP3 4177 38.247 0.762 -0.456 1.00 0.00 WT3 O ATOM 41372 H1 TIP3 4177 39.154 0.480 -0.576 1.00 0.00 WT3 H ATOM 41373 H2 TIP3 4177 37.730 0.126 -0.950 1.00 0.00 WT3 H ATOM 41374 OH2 TIP3 4179 54.003 17.719 3.764 1.00 0.00 WT3 O ATOM 41375 H1 TIP3 4179 53.294 17.414 4.331 1.00 0.00 WT3 H ATOM 41376 H2 TIP3 4179 53.628 17.704 2.883 1.00 0.00 WT3 H ATOM 41377 OH2 TIP3 4184 49.745 75.082 27.985 1.00 0.00 WT3 O ATOM 41378 H1 TIP3 4184 50.369 75.289 27.290 1.00 0.00 WT3 H ATOM 41379 H2 TIP3 4184 49.629 74.133 27.930 1.00 0.00 WT3 H ATOM 41380 OH2 TIP3 4185 73.637 96.600 30.542 1.00 0.00 WT3 O ATOM 41381 H1 TIP3 4185 73.259 96.168 29.776 1.00 0.00 WT3 H ATOM 41382 H2 TIP3 4185 72.911 96.668 31.162 1.00 0.00 WT3 H ATOM 41383 OH2 TIP3 4186 50.114 72.181 30.598 1.00 0.00 WT3 O ATOM 41384 H1 TIP3 4186 50.170 71.330 30.164 1.00 0.00 WT3 H ATOM 41385 H2 TIP3 4186 50.839 72.687 30.231 1.00 0.00 WT3 H ATOM 41386 OH2 TIP3 4191 65.788 84.587 60.020 1.00 0.00 WT3 O ATOM 41387 H1 TIP3 4191 66.372 85.107 60.572 1.00 0.00 WT3 H ATOM 41388 H2 TIP3 4191 65.169 84.190 60.633 1.00 0.00 WT3 H ATOM 41389 OH2 TIP3 4196 39.347 53.033 28.426 1.00 0.00 WT3 O ATOM 41390 H1 TIP3 4196 40.301 52.959 28.469 1.00 0.00 WT3 H ATOM 41391 H2 TIP3 4196 39.177 53.974 28.478 1.00 0.00 WT3 H ATOM 41392 OH2 TIP3 4197 49.333 15.545 45.758 1.00 0.00 WT3 O ATOM 41393 H1 TIP3 4197 49.614 15.895 44.913 1.00 0.00 WT3 H ATOM 41394 H2 TIP3 4197 49.664 14.647 45.768 1.00 0.00 WT3 H ATOM 41395 OH2 TIP3 4201 57.220 12.202 33.121 1.00 0.00 WT3 O ATOM 41396 H1 TIP3 4201 57.166 12.892 33.782 1.00 0.00 WT3 H ATOM 41397 H2 TIP3 4201 56.343 12.167 32.739 1.00 0.00 WT3 H ATOM 41398 OH2 TIP3 4202 54.846 51.235 52.755 1.00 0.00 WT3 O ATOM 41399 H1 TIP3 4202 53.902 51.335 52.633 1.00 0.00 WT3 H ATOM 41400 H2 TIP3 4202 55.177 51.012 51.885 1.00 0.00 WT3 H ATOM 41401 OH2 TIP3 4203 51.903 82.726 -6.766 1.00 0.00 WT3 O ATOM 41402 H1 TIP3 4203 52.258 82.991 -5.918 1.00 0.00 WT3 H ATOM 41403 H2 TIP3 4203 51.969 81.771 -6.766 1.00 0.00 WT3 H ATOM 41404 OH2 TIP3 4204 59.505 5.066 34.491 1.00 0.00 WT3 O ATOM 41405 H1 TIP3 4204 58.725 4.578 34.757 1.00 0.00 WT3 H ATOM 41406 H2 TIP3 4204 60.126 4.932 35.207 1.00 0.00 WT3 H ATOM 41407 OH2 TIP3 4216 72.614 55.607 65.836 1.00 0.00 WT3 O ATOM 41408 H1 TIP3 4216 71.695 55.812 66.010 1.00 0.00 WT3 H ATOM 41409 H2 TIP3 4216 72.829 54.916 66.462 1.00 0.00 WT3 H ATOM 41410 OH2 TIP3 4221 81.878 56.033 1.317 1.00 0.00 WT3 O ATOM 41411 H1 TIP3 4221 81.946 55.079 1.350 1.00 0.00 WT3 H ATOM 41412 H2 TIP3 4221 80.945 56.212 1.427 1.00 0.00 WT3 H ATOM 41413 OH2 TIP3 4223 65.282 0.297 24.637 1.00 0.00 WT3 O ATOM 41414 H1 TIP3 4223 66.181 0.616 24.716 1.00 0.00 WT3 H ATOM 41415 H2 TIP3 4223 65.231 -0.061 23.751 1.00 0.00 WT3 H ATOM 41416 OH2 TIP3 4230 88.296 81.210 23.262 1.00 0.00 WT3 O ATOM 41417 H1 TIP3 4230 87.373 80.957 23.280 1.00 0.00 WT3 H ATOM 41418 H2 TIP3 4230 88.282 82.166 23.234 1.00 0.00 WT3 H ATOM 41419 OH2 TIP3 4237 68.450 47.012 66.727 1.00 0.00 WT3 O ATOM 41420 H1 TIP3 4237 68.786 47.785 67.181 1.00 0.00 WT3 H ATOM 41421 H2 TIP3 4237 69.210 46.655 66.268 1.00 0.00 WT3 H ATOM 41422 OH2 TIP3 4239 34.115 76.277 8.881 1.00 0.00 WT3 O ATOM 41423 H1 TIP3 4239 33.743 75.986 9.714 1.00 0.00 WT3 H ATOM 41424 H2 TIP3 4239 34.423 77.167 9.055 1.00 0.00 WT3 H ATOM 41425 OH2 TIP3 4240 56.044 9.116 41.995 1.00 0.00 WT3 O ATOM 41426 H1 TIP3 4240 56.731 9.236 41.339 1.00 0.00 WT3 H ATOM 41427 H2 TIP3 4240 55.447 9.851 41.856 1.00 0.00 WT3 H ATOM 41428 OH2 TIP3 4243 21.213 11.541 2.865 1.00 0.00 WT3 O ATOM 41429 H1 TIP3 4243 21.453 11.082 3.670 1.00 0.00 WT3 H ATOM 41430 H2 TIP3 4243 21.197 12.466 3.113 1.00 0.00 WT3 H ATOM 41431 OH2 TIP3 4278 50.335 22.516 -15.284 1.00 0.00 WT3 O ATOM 41432 H1 TIP3 4278 50.921 22.758 -14.567 1.00 0.00 WT3 H ATOM 41433 H2 TIP3 4278 50.907 22.446 -16.048 1.00 0.00 WT3 H ATOM 41434 OH2 TIP3 4319 65.382 93.643 37.524 1.00 0.00 WT3 O ATOM 41435 H1 TIP3 4319 65.681 94.533 37.339 1.00 0.00 WT3 H ATOM 41436 H2 TIP3 4319 64.570 93.554 37.024 1.00 0.00 WT3 H ATOM 41437 OH2 TIP3 4323 85.039 33.285 -10.797 1.00 0.00 WT3 O ATOM 41438 H1 TIP3 4323 84.284 33.815 -11.054 1.00 0.00 WT3 H ATOM 41439 H2 TIP3 4323 84.659 32.516 -10.371 1.00 0.00 WT3 H ATOM 41440 OH2 TIP3 4356 80.305 40.596 3.446 1.00 0.00 WT3 O ATOM 41441 H1 TIP3 4356 80.816 39.791 3.356 1.00 0.00 WT3 H ATOM 41442 H2 TIP3 4356 80.046 40.614 4.367 1.00 0.00 WT3 H ATOM 41443 OH2 TIP3 4374 85.580 94.372 9.773 1.00 0.00 WT3 O ATOM 41444 H1 TIP3 4374 84.843 93.842 9.469 1.00 0.00 WT3 H ATOM 41445 H2 TIP3 4374 86.215 94.334 9.057 1.00 0.00 WT3 H ATOM 41446 OH2 TIP3 4382 86.239 92.464 33.550 1.00 0.00 WT3 O ATOM 41447 H1 TIP3 4382 86.309 91.523 33.388 1.00 0.00 WT3 H ATOM 41448 H2 TIP3 4382 87.066 92.697 33.971 1.00 0.00 WT3 H ATOM 41449 OH2 TIP3 4394 57.264 95.808 5.822 1.00 0.00 WT3 O ATOM 41450 H1 TIP3 4394 57.891 95.156 5.509 1.00 0.00 WT3 H ATOM 41451 H2 TIP3 4394 57.678 96.186 6.598 1.00 0.00 WT3 H ATOM 41452 OH2 TIP3 4401 89.374 89.087 65.532 1.00 0.00 WT3 O ATOM 41453 H1 TIP3 4401 89.723 88.581 66.265 1.00 0.00 WT3 H ATOM 41454 H2 TIP3 4401 88.460 89.249 65.765 1.00 0.00 WT3 H ATOM 41455 OH2 TIP3 4404 25.024 56.140 -19.060 1.00 0.00 WT3 O ATOM 41456 H1 TIP3 4404 24.480 56.785 -18.607 1.00 0.00 WT3 H ATOM 41457 H2 TIP3 4404 25.035 55.382 -18.475 1.00 0.00 WT3 H ATOM 41458 OH2 TIP3 4407 28.992 13.233 31.777 1.00 0.00 WT3 O ATOM 41459 H1 TIP3 4407 29.913 13.485 31.708 1.00 0.00 WT3 H ATOM 41460 H2 TIP3 4407 28.756 13.432 32.683 1.00 0.00 WT3 H ATOM 41461 OH2 TIP3 4409 79.180 32.995 55.937 1.00 0.00 WT3 O ATOM 41462 H1 TIP3 4409 79.372 32.342 55.265 1.00 0.00 WT3 H ATOM 41463 H2 TIP3 4409 79.710 33.754 55.693 1.00 0.00 WT3 H ATOM 41464 OH2 TIP3 4412 26.410 85.205 32.876 1.00 0.00 WT3 O ATOM 41465 H1 TIP3 4412 26.573 84.264 32.817 1.00 0.00 WT3 H ATOM 41466 H2 TIP3 4412 26.151 85.460 31.990 1.00 0.00 WT3 H ATOM 41467 OH2 TIP3 4414 50.936 67.989 4.184 1.00 0.00 WT3 O ATOM 41468 H1 TIP3 4414 51.125 67.955 5.121 1.00 0.00 WT3 H ATOM 41469 H2 TIP3 4414 50.930 67.073 3.907 1.00 0.00 WT3 H ATOM 41470 OH2 TIP3 4415 65.710 25.627 4.981 1.00 0.00 WT3 O ATOM 41471 H1 TIP3 4415 66.330 25.291 5.628 1.00 0.00 WT3 H ATOM 41472 H2 TIP3 4415 65.116 24.895 4.814 1.00 0.00 WT3 H ATOM 41473 OH2 TIP3 4417 53.497 44.375 33.572 1.00 0.00 WT3 O ATOM 41474 H1 TIP3 4417 52.998 43.599 33.825 1.00 0.00 WT3 H ATOM 41475 H2 TIP3 4417 53.073 44.683 32.771 1.00 0.00 WT3 H ATOM 41476 OH2 TIP3 4419 44.226 3.602 40.445 1.00 0.00 WT3 O ATOM 41477 H1 TIP3 4419 44.536 4.022 39.643 1.00 0.00 WT3 H ATOM 41478 H2 TIP3 4419 44.562 4.155 41.150 1.00 0.00 WT3 H ATOM 41479 OH2 TIP3 4427 41.414 74.353 7.015 1.00 0.00 WT3 O ATOM 41480 H1 TIP3 4427 41.496 73.471 7.379 1.00 0.00 WT3 H ATOM 41481 H2 TIP3 4427 40.893 74.237 6.220 1.00 0.00 WT3 H ATOM 41482 OH2 TIP3 4432 86.227 65.266 31.786 1.00 0.00 WT3 O ATOM 41483 H1 TIP3 4432 86.505 64.526 31.247 1.00 0.00 WT3 H ATOM 41484 H2 TIP3 4432 85.653 65.777 31.214 1.00 0.00 WT3 H ATOM 41485 OH2 TIP3 4433 44.634 87.513 61.612 1.00 0.00 WT3 O ATOM 41486 H1 TIP3 4433 45.490 87.928 61.720 1.00 0.00 WT3 H ATOM 41487 H2 TIP3 4433 44.834 86.618 61.338 1.00 0.00 WT3 H ATOM 41488 OH2 TIP3 4434 33.160 39.196 11.095 1.00 0.00 WT3 O ATOM 41489 H1 TIP3 4434 32.266 39.159 11.436 1.00 0.00 WT3 H ATOM 41490 H2 TIP3 4434 33.681 39.530 11.825 1.00 0.00 WT3 H ATOM 41491 OH2 TIP3 4436 82.430 17.319 45.458 1.00 0.00 WT3 O ATOM 41492 H1 TIP3 4436 82.148 18.081 45.963 1.00 0.00 WT3 H ATOM 41493 H2 TIP3 4436 82.434 17.621 44.550 1.00 0.00 WT3 H ATOM 41494 OH2 TIP3 4437 72.631 76.512 52.182 1.00 0.00 WT3 O ATOM 41495 H1 TIP3 4437 73.543 76.386 51.918 1.00 0.00 WT3 H ATOM 41496 H2 TIP3 4437 72.595 77.417 52.494 1.00 0.00 WT3 H ATOM 41497 OH2 TIP3 4438 57.590 46.399 -9.850 1.00 0.00 WT3 O ATOM 41498 H1 TIP3 4438 56.930 46.962 -9.445 1.00 0.00 WT3 H ATOM 41499 H2 TIP3 4438 57.680 45.662 -9.245 1.00 0.00 WT3 H ATOM 41500 OH2 TIP3 4446 28.617 72.164 41.028 1.00 0.00 WT3 O ATOM 41501 H1 TIP3 4446 28.295 71.730 41.818 1.00 0.00 WT3 H ATOM 41502 H2 TIP3 4446 29.316 71.594 40.709 1.00 0.00 WT3 H ATOM 41503 OH2 TIP3 4449 53.713 93.519 21.693 1.00 0.00 WT3 O ATOM 41504 H1 TIP3 4449 53.856 92.879 22.391 1.00 0.00 WT3 H ATOM 41505 H2 TIP3 4449 52.761 93.562 21.600 1.00 0.00 WT3 H ATOM 41506 OH2 TIP3 4451 32.514 70.217 63.766 1.00 0.00 WT3 O ATOM 41507 H1 TIP3 4451 32.670 69.883 64.649 1.00 0.00 WT3 H ATOM 41508 H2 TIP3 4451 33.383 70.248 63.365 1.00 0.00 WT3 H ATOM 41509 OH2 TIP3 4453 54.957 78.427 41.554 1.00 0.00 WT3 O ATOM 41510 H1 TIP3 4453 54.995 78.575 40.609 1.00 0.00 WT3 H ATOM 41511 H2 TIP3 4453 55.848 78.598 41.860 1.00 0.00 WT3 H ATOM 41512 OH2 TIP3 4455 65.261 48.382 -2.597 1.00 0.00 WT3 O ATOM 41513 H1 TIP3 4455 65.377 48.645 -1.684 1.00 0.00 WT3 H ATOM 41514 H2 TIP3 4455 65.693 49.070 -3.102 1.00 0.00 WT3 H ATOM 41515 OH2 TIP3 4457 28.331 52.614 57.427 1.00 0.00 WT3 O ATOM 41516 H1 TIP3 4457 28.487 53.319 56.799 1.00 0.00 WT3 H ATOM 41517 H2 TIP3 4457 27.594 52.125 57.061 1.00 0.00 WT3 H ATOM 41518 OH2 TIP3 4460 90.072 95.767 4.140 1.00 0.00 WT3 O ATOM 41519 H1 TIP3 4460 90.158 94.814 4.119 1.00 0.00 WT3 H ATOM 41520 H2 TIP3 4460 89.713 95.957 5.006 1.00 0.00 WT3 H ATOM 41521 OH2 TIP3 4464 80.501 76.346 21.016 1.00 0.00 WT3 O ATOM 41522 H1 TIP3 4464 79.809 75.795 20.649 1.00 0.00 WT3 H ATOM 41523 H2 TIP3 4464 80.038 76.979 21.565 1.00 0.00 WT3 H ATOM 41524 OH2 TIP3 4467 26.746 82.991 26.335 1.00 0.00 WT3 O ATOM 41525 H1 TIP3 4467 27.587 83.143 25.905 1.00 0.00 WT3 H ATOM 41526 H2 TIP3 4467 26.171 82.683 25.635 1.00 0.00 WT3 H ATOM 41527 OH2 TIP3 4468 38.466 70.550 2.125 1.00 0.00 WT3 O ATOM 41528 H1 TIP3 4468 37.797 70.650 2.803 1.00 0.00 WT3 H ATOM 41529 H2 TIP3 4468 39.280 70.819 2.550 1.00 0.00 WT3 H ATOM 41530 OH2 TIP3 4470 29.828 85.241 40.003 1.00 0.00 WT3 O ATOM 41531 H1 TIP3 4470 29.050 84.687 39.936 1.00 0.00 WT3 H ATOM 41532 H2 TIP3 4470 30.478 84.690 40.439 1.00 0.00 WT3 H ATOM 41533 OH2 TIP3 4472 85.571 38.111 40.843 1.00 0.00 WT3 O ATOM 41534 H1 TIP3 4472 85.719 37.521 41.583 1.00 0.00 WT3 H ATOM 41535 H2 TIP3 4472 85.696 37.562 40.070 1.00 0.00 WT3 H ATOM 41536 OH2 TIP3 4473 59.101 47.123 -0.010 1.00 0.00 WT3 O ATOM 41537 H1 TIP3 4473 59.711 46.625 0.534 1.00 0.00 WT3 H ATOM 41538 H2 TIP3 4473 59.643 47.478 -0.714 1.00 0.00 WT3 H ATOM 41539 OH2 TIP3 4475 47.316 52.877 50.717 1.00 0.00 WT3 O ATOM 41540 H1 TIP3 4475 47.738 53.528 51.277 1.00 0.00 WT3 H ATOM 41541 H2 TIP3 4475 47.861 52.848 49.930 1.00 0.00 WT3 H ATOM 41542 OH2 TIP3 4476 21.809 52.342 -7.467 1.00 0.00 WT3 O ATOM 41543 H1 TIP3 4476 21.136 52.862 -7.905 1.00 0.00 WT3 H ATOM 41544 H2 TIP3 4476 21.424 51.469 -7.386 1.00 0.00 WT3 H ATOM 41545 OH2 TIP3 4477 45.300 27.618 56.604 1.00 0.00 WT3 O ATOM 41546 H1 TIP3 4477 45.007 27.022 55.915 1.00 0.00 WT3 H ATOM 41547 H2 TIP3 4477 44.940 28.469 56.356 1.00 0.00 WT3 H ATOM 41548 OH2 TIP3 4478 66.996 32.632 2.576 1.00 0.00 WT3 O ATOM 41549 H1 TIP3 4478 66.633 32.533 3.456 1.00 0.00 WT3 H ATOM 41550 H2 TIP3 4478 67.062 33.578 2.449 1.00 0.00 WT3 H ATOM 41551 OH2 TIP3 4479 74.622 18.357 47.679 1.00 0.00 WT3 O ATOM 41552 H1 TIP3 4479 74.856 17.510 48.060 1.00 0.00 WT3 H ATOM 41553 H2 TIP3 4479 75.383 18.913 47.845 1.00 0.00 WT3 H ATOM 41554 OH2 TIP3 4480 30.152 33.016 0.068 1.00 0.00 WT3 O ATOM 41555 H1 TIP3 4480 29.912 32.940 -0.855 1.00 0.00 WT3 H ATOM 41556 H2 TIP3 4480 30.145 33.957 0.242 1.00 0.00 WT3 H ATOM 41557 OH2 TIP3 4483 88.972 29.452 -11.740 1.00 0.00 WT3 O ATOM 41558 H1 TIP3 4483 88.816 28.690 -12.299 1.00 0.00 WT3 H ATOM 41559 H2 TIP3 4483 88.440 30.147 -12.128 1.00 0.00 WT3 H ATOM 41560 OH2 TIP3 4484 42.862 11.165 6.156 1.00 0.00 WT3 O ATOM 41561 H1 TIP3 4484 42.141 11.291 6.773 1.00 0.00 WT3 H ATOM 41562 H2 TIP3 4484 42.530 10.525 5.526 1.00 0.00 WT3 H ATOM 41563 OH2 TIP3 4485 42.703 30.136 8.310 1.00 0.00 WT3 O ATOM 41564 H1 TIP3 4485 42.160 30.846 8.654 1.00 0.00 WT3 H ATOM 41565 H2 TIP3 4485 43.043 29.696 9.088 1.00 0.00 WT3 H ATOM 41566 OH2 TIP3 4489 65.557 64.732 65.936 1.00 0.00 WT3 O ATOM 41567 H1 TIP3 4489 65.113 65.396 65.409 1.00 0.00 WT3 H ATOM 41568 H2 TIP3 4489 66.086 65.232 66.557 1.00 0.00 WT3 H ATOM 41569 OH2 TIP3 4493 73.318 75.304 66.474 1.00 0.00 WT3 O ATOM 41570 H1 TIP3 4493 73.607 75.507 65.584 1.00 0.00 WT3 H ATOM 41571 H2 TIP3 4493 73.336 76.145 66.930 1.00 0.00 WT3 H ATOM 41572 OH2 TIP3 4494 69.606 1.718 30.383 1.00 0.00 WT3 O ATOM 41573 H1 TIP3 4494 68.709 1.731 30.717 1.00 0.00 WT3 H ATOM 41574 H2 TIP3 4494 70.135 1.430 31.126 1.00 0.00 WT3 H ATOM 41575 OH2 TIP3 4495 41.228 12.028 31.455 1.00 0.00 WT3 O ATOM 41576 H1 TIP3 4495 40.571 12.351 30.839 1.00 0.00 WT3 H ATOM 41577 H2 TIP3 4495 41.808 12.776 31.600 1.00 0.00 WT3 H ATOM 41578 OH2 TIP3 4496 25.780 36.958 52.580 1.00 0.00 WT3 O ATOM 41579 H1 TIP3 4496 26.442 36.694 51.941 1.00 0.00 WT3 H ATOM 41580 H2 TIP3 4496 26.269 37.441 53.246 1.00 0.00 WT3 H ATOM 41581 OH2 TIP3 4498 71.276 82.605 40.636 1.00 0.00 WT3 O ATOM 41582 H1 TIP3 4498 72.214 82.429 40.713 1.00 0.00 WT3 H ATOM 41583 H2 TIP3 4498 70.937 82.494 41.524 1.00 0.00 WT3 H ATOM 41584 OH2 TIP3 4499 23.113 88.793 45.479 1.00 0.00 WT3 O ATOM 41585 H1 TIP3 4499 23.944 89.119 45.132 1.00 0.00 WT3 H ATOM 41586 H2 TIP3 4499 23.107 89.076 46.393 1.00 0.00 WT3 H ATOM 41587 OH2 TIP3 4500 30.018 85.529 13.959 1.00 0.00 WT3 O ATOM 41588 H1 TIP3 4500 30.699 85.158 14.520 1.00 0.00 WT3 H ATOM 41589 H2 TIP3 4500 29.606 84.770 13.548 1.00 0.00 WT3 H ATOM 41590 OH2 TIP3 4501 77.523 24.781 8.504 1.00 0.00 WT3 O ATOM 41591 H1 TIP3 4501 78.411 24.672 8.844 1.00 0.00 WT3 H ATOM 41592 H2 TIP3 4501 77.190 23.888 8.412 1.00 0.00 WT3 H ATOM 41593 OH2 TIP3 4503 35.780 72.470 -6.568 1.00 0.00 WT3 O ATOM 41594 H1 TIP3 4503 35.086 72.355 -7.217 1.00 0.00 WT3 H ATOM 41595 H2 TIP3 4503 35.787 73.411 -6.389 1.00 0.00 WT3 H ATOM 41596 OH2 TIP3 4506 64.811 30.719 12.948 1.00 0.00 WT3 O ATOM 41597 H1 TIP3 4506 64.780 31.508 12.405 1.00 0.00 WT3 H ATOM 41598 H2 TIP3 4506 63.894 30.473 13.065 1.00 0.00 WT3 H ATOM 41599 OH2 TIP3 4508 47.721 79.074 47.859 1.00 0.00 WT3 O ATOM 41600 H1 TIP3 4508 48.058 78.222 47.582 1.00 0.00 WT3 H ATOM 41601 H2 TIP3 4508 46.812 78.904 48.106 1.00 0.00 WT3 H ATOM 41602 OH2 TIP3 4510 24.654 68.580 24.498 1.00 0.00 WT3 O ATOM 41603 H1 TIP3 4510 24.473 67.696 24.819 1.00 0.00 WT3 H ATOM 41604 H2 TIP3 4510 25.499 68.505 24.053 1.00 0.00 WT3 H ATOM 41605 OH2 TIP3 4511 35.347 1.325 14.071 1.00 0.00 WT3 O ATOM 41606 H1 TIP3 4511 35.670 1.292 13.171 1.00 0.00 WT3 H ATOM 41607 H2 TIP3 4511 34.399 1.427 13.982 1.00 0.00 WT3 H ATOM 41608 OH2 TIP3 4513 70.135 62.159 58.293 1.00 0.00 WT3 O ATOM 41609 H1 TIP3 4513 70.050 63.110 58.227 1.00 0.00 WT3 H ATOM 41610 H2 TIP3 4513 70.714 61.919 57.569 1.00 0.00 WT3 H ATOM 41611 OH2 TIP3 4515 84.353 77.753 59.867 1.00 0.00 WT3 O ATOM 41612 H1 TIP3 4515 84.302 77.598 60.811 1.00 0.00 WT3 H ATOM 41613 H2 TIP3 4515 84.782 78.605 59.787 1.00 0.00 WT3 H ATOM 41614 OH2 TIP3 4516 48.453 85.063 66.899 1.00 0.00 WT3 O ATOM 41615 H1 TIP3 4516 48.750 85.555 67.665 1.00 0.00 WT3 H ATOM 41616 H2 TIP3 4516 48.527 84.145 67.160 1.00 0.00 WT3 H ATOM 41617 OH2 TIP3 4517 74.586 77.599 16.323 1.00 0.00 WT3 O ATOM 41618 H1 TIP3 4517 74.187 76.758 16.101 1.00 0.00 WT3 H ATOM 41619 H2 TIP3 4517 74.354 77.740 17.240 1.00 0.00 WT3 H ATOM 41620 OH2 TIP3 4518 53.060 19.388 -13.634 1.00 0.00 WT3 O ATOM 41621 H1 TIP3 4518 53.963 19.107 -13.783 1.00 0.00 WT3 H ATOM 41622 H2 TIP3 4518 53.102 20.344 -13.642 1.00 0.00 WT3 H ATOM 41623 OH2 TIP3 4519 81.606 28.956 44.497 1.00 0.00 WT3 O ATOM 41624 H1 TIP3 4519 81.497 28.251 43.858 1.00 0.00 WT3 H ATOM 41625 H2 TIP3 4519 81.605 29.757 43.972 1.00 0.00 WT3 H ATOM 41626 OH2 TIP3 4520 64.191 85.343 5.107 1.00 0.00 WT3 O ATOM 41627 H1 TIP3 4520 63.249 85.442 5.249 1.00 0.00 WT3 H ATOM 41628 H2 TIP3 4520 64.469 86.186 4.747 1.00 0.00 WT3 H ATOM 41629 OH2 TIP3 4523 77.790 50.858 14.272 1.00 0.00 WT3 O ATOM 41630 H1 TIP3 4523 77.756 50.979 15.221 1.00 0.00 WT3 H ATOM 41631 H2 TIP3 4523 77.364 51.638 13.915 1.00 0.00 WT3 H ATOM 41632 OH2 TIP3 4524 61.770 46.567 50.936 1.00 0.00 WT3 O ATOM 41633 H1 TIP3 4524 62.114 46.787 50.071 1.00 0.00 WT3 H ATOM 41634 H2 TIP3 4524 61.003 46.022 50.759 1.00 0.00 WT3 H ATOM 41635 OH2 TIP3 4526 77.777 74.998 46.601 1.00 0.00 WT3 O ATOM 41636 H1 TIP3 4526 78.052 74.252 46.068 1.00 0.00 WT3 H ATOM 41637 H2 TIP3 4526 76.821 74.953 46.601 1.00 0.00 WT3 H ATOM 41638 OH2 TIP3 4528 61.223 58.547 -6.518 1.00 0.00 WT3 O ATOM 41639 H1 TIP3 4528 61.095 58.477 -5.572 1.00 0.00 WT3 H ATOM 41640 H2 TIP3 4528 60.502 58.043 -6.896 1.00 0.00 WT3 H ATOM 41641 OH2 TIP3 4530 70.540 62.246 13.691 1.00 0.00 WT3 O ATOM 41642 H1 TIP3 4530 70.428 61.530 13.066 1.00 0.00 WT3 H ATOM 41643 H2 TIP3 4530 69.846 62.113 14.336 1.00 0.00 WT3 H ATOM 41644 OH2 TIP3 4532 73.250 64.804 10.421 1.00 0.00 WT3 O ATOM 41645 H1 TIP3 4532 72.403 65.214 10.245 1.00 0.00 WT3 H ATOM 41646 H2 TIP3 4532 73.030 63.948 10.789 1.00 0.00 WT3 H ATOM 41647 OH2 TIP3 4533 50.886 69.585 25.048 1.00 0.00 WT3 O ATOM 41648 H1 TIP3 4533 50.677 69.010 24.311 1.00 0.00 WT3 H ATOM 41649 H2 TIP3 4533 51.828 69.474 25.179 1.00 0.00 WT3 H ATOM 41650 OH2 TIP3 4534 20.721 68.250 55.326 1.00 0.00 WT3 O ATOM 41651 H1 TIP3 4534 20.535 69.172 55.505 1.00 0.00 WT3 H ATOM 41652 H2 TIP3 4534 20.143 67.770 55.918 1.00 0.00 WT3 H ATOM 41653 OH2 TIP3 4535 66.086 19.650 -8.097 1.00 0.00 WT3 O ATOM 41654 H1 TIP3 4535 66.091 20.339 -7.433 1.00 0.00 WT3 H ATOM 41655 H2 TIP3 4535 66.828 19.090 -7.866 1.00 0.00 WT3 H ATOM 41656 OH2 TIP3 4536 50.965 70.076 0.735 1.00 0.00 WT3 O ATOM 41657 H1 TIP3 4536 50.600 69.203 0.878 1.00 0.00 WT3 H ATOM 41658 H2 TIP3 4536 51.409 70.288 1.556 1.00 0.00 WT3 H ATOM 41659 OH2 TIP3 4537 69.933 71.391 10.979 1.00 0.00 WT3 O ATOM 41660 H1 TIP3 4537 69.815 70.501 11.311 1.00 0.00 WT3 H ATOM 41661 H2 TIP3 4537 69.046 71.697 10.790 1.00 0.00 WT3 H ATOM 41662 OH2 TIP3 4538 28.349 16.912 -14.669 1.00 0.00 WT3 O ATOM 41663 H1 TIP3 4538 27.933 16.085 -14.423 1.00 0.00 WT3 H ATOM 41664 H2 TIP3 4538 29.106 16.981 -14.087 1.00 0.00 WT3 H ATOM 41665 OH2 TIP3 4539 63.235 96.064 39.203 1.00 0.00 WT3 O ATOM 41666 H1 TIP3 4539 63.928 95.835 39.822 1.00 0.00 WT3 H ATOM 41667 H2 TIP3 4539 63.334 97.006 39.068 1.00 0.00 WT3 H ATOM 41668 OH2 TIP3 4541 52.813 93.225 42.612 1.00 0.00 WT3 O ATOM 41669 H1 TIP3 4541 53.294 94.011 42.352 1.00 0.00 WT3 H ATOM 41670 H2 TIP3 4541 51.906 93.405 42.364 1.00 0.00 WT3 H ATOM 41671 OH2 TIP3 4542 56.129 51.037 -6.052 1.00 0.00 WT3 O ATOM 41672 H1 TIP3 4542 56.004 51.324 -5.148 1.00 0.00 WT3 H ATOM 41673 H2 TIP3 4542 56.954 50.551 -6.039 1.00 0.00 WT3 H ATOM 41674 OH2 TIP3 4543 41.176 95.366 19.540 1.00 0.00 WT3 O ATOM 41675 H1 TIP3 4543 41.733 95.436 18.764 1.00 0.00 WT3 H ATOM 41676 H2 TIP3 4543 40.934 94.441 19.578 1.00 0.00 WT3 H ATOM 41677 OH2 TIP3 4544 33.110 54.481 -11.910 1.00 0.00 WT3 O ATOM 41678 H1 TIP3 4544 33.419 53.724 -12.409 1.00 0.00 WT3 H ATOM 41679 H2 TIP3 4544 33.499 55.235 -12.353 1.00 0.00 WT3 H ATOM 41680 OH2 TIP3 4546 80.605 86.832 53.777 1.00 0.00 WT3 O ATOM 41681 H1 TIP3 4546 79.759 86.519 54.097 1.00 0.00 WT3 H ATOM 41682 H2 TIP3 4546 80.759 86.329 52.977 1.00 0.00 WT3 H ATOM 41683 OH2 TIP3 4547 41.770 68.252 0.571 1.00 0.00 WT3 O ATOM 41684 H1 TIP3 4547 41.118 67.551 0.604 1.00 0.00 WT3 H ATOM 41685 H2 TIP3 4547 42.564 67.826 0.249 1.00 0.00 WT3 H ATOM 41686 OH2 TIP3 4548 68.144 8.601 4.231 1.00 0.00 WT3 O ATOM 41687 H1 TIP3 4548 68.112 9.379 4.788 1.00 0.00 WT3 H ATOM 41688 H2 TIP3 4548 67.347 8.117 4.450 1.00 0.00 WT3 H ATOM 41689 OH2 TIP3 4549 79.617 53.260 34.203 1.00 0.00 WT3 O ATOM 41690 H1 TIP3 4549 79.788 53.908 34.887 1.00 0.00 WT3 H ATOM 41691 H2 TIP3 4549 79.674 53.754 33.385 1.00 0.00 WT3 H ATOM 41692 OH2 TIP3 4552 81.386 92.229 30.648 1.00 0.00 WT3 O ATOM 41693 H1 TIP3 4552 82.024 92.926 30.496 1.00 0.00 WT3 H ATOM 41694 H2 TIP3 4552 80.550 92.685 30.742 1.00 0.00 WT3 H ATOM 41695 OH2 TIP3 4553 36.610 65.034 33.044 1.00 0.00 WT3 O ATOM 41696 H1 TIP3 4553 37.214 65.545 33.582 1.00 0.00 WT3 H ATOM 41697 H2 TIP3 4553 36.548 65.522 32.223 1.00 0.00 WT3 H ATOM 41698 OH2 TIP3 4554 81.503 77.871 51.570 1.00 0.00 WT3 O ATOM 41699 H1 TIP3 4554 81.665 78.525 50.890 1.00 0.00 WT3 H ATOM 41700 H2 TIP3 4554 82.230 77.979 52.184 1.00 0.00 WT3 H ATOM 41701 OH2 TIP3 4555 35.683 76.269 53.723 1.00 0.00 WT3 O ATOM 41702 H1 TIP3 4555 36.261 75.707 53.206 1.00 0.00 WT3 H ATOM 41703 H2 TIP3 4555 35.247 75.671 54.330 1.00 0.00 WT3 H ATOM 41704 OH2 TIP3 4556 43.537 13.010 38.471 1.00 0.00 WT3 O ATOM 41705 H1 TIP3 4556 44.282 12.906 37.879 1.00 0.00 WT3 H ATOM 41706 H2 TIP3 4556 43.579 12.247 39.047 1.00 0.00 WT3 H ATOM 41707 OH2 TIP3 4557 46.622 75.313 60.990 1.00 0.00 WT3 O ATOM 41708 H1 TIP3 4557 46.422 75.807 60.194 1.00 0.00 WT3 H ATOM 41709 H2 TIP3 4557 45.967 75.607 61.624 1.00 0.00 WT3 H ATOM 41710 OH2 TIP3 4558 62.028 36.419 -5.784 1.00 0.00 WT3 O ATOM 41711 H1 TIP3 4558 62.902 36.034 -5.712 1.00 0.00 WT3 H ATOM 41712 H2 TIP3 4558 61.806 36.680 -4.891 1.00 0.00 WT3 H ATOM 41713 OH2 TIP3 4559 41.320 46.474 -14.858 1.00 0.00 WT3 O ATOM 41714 H1 TIP3 4559 41.476 47.304 -14.408 1.00 0.00 WT3 H ATOM 41715 H2 TIP3 4559 41.432 46.680 -15.786 1.00 0.00 WT3 H ATOM 41716 OH2 TIP3 4560 87.066 45.991 -8.816 1.00 0.00 WT3 O ATOM 41717 H1 TIP3 4560 86.812 45.836 -7.906 1.00 0.00 WT3 H ATOM 41718 H2 TIP3 4560 87.986 46.251 -8.767 1.00 0.00 WT3 H ATOM 41719 OH2 TIP3 4561 29.213 92.117 45.720 1.00 0.00 WT3 O ATOM 41720 H1 TIP3 4561 29.263 93.067 45.615 1.00 0.00 WT3 H ATOM 41721 H2 TIP3 4561 29.571 91.766 44.904 1.00 0.00 WT3 H ATOM 41722 OH2 TIP3 4562 37.116 11.511 -14.882 1.00 0.00 WT3 O ATOM 41723 H1 TIP3 4562 37.900 11.625 -15.420 1.00 0.00 WT3 H ATOM 41724 H2 TIP3 4562 36.491 12.146 -15.231 1.00 0.00 WT3 H ATOM 41725 OH2 TIP3 4564 30.696 75.541 58.026 1.00 0.00 WT3 O ATOM 41726 H1 TIP3 4564 30.928 76.310 57.505 1.00 0.00 WT3 H ATOM 41727 H2 TIP3 4564 31.049 75.725 58.897 1.00 0.00 WT3 H ATOM 41728 OH2 TIP3 4566 22.736 82.321 6.626 1.00 0.00 WT3 O ATOM 41729 H1 TIP3 4566 22.023 81.775 6.957 1.00 0.00 WT3 H ATOM 41730 H2 TIP3 4566 23.375 81.697 6.281 1.00 0.00 WT3 H ATOM 41731 OH2 TIP3 4567 89.181 10.325 4.019 1.00 0.00 WT3 O ATOM 41732 H1 TIP3 4567 89.822 10.815 3.504 1.00 0.00 WT3 H ATOM 41733 H2 TIP3 4567 88.382 10.849 3.969 1.00 0.00 WT3 H ATOM 41734 OH2 TIP3 4568 56.912 79.648 22.311 1.00 0.00 WT3 O ATOM 41735 H1 TIP3 4568 56.568 78.768 22.156 1.00 0.00 WT3 H ATOM 41736 H2 TIP3 4568 57.007 79.705 23.261 1.00 0.00 WT3 H ATOM 41737 OH2 TIP3 4569 45.977 87.961 -17.400 1.00 0.00 WT3 O ATOM 41738 H1 TIP3 4569 45.432 87.231 -17.694 1.00 0.00 WT3 H ATOM 41739 H2 TIP3 4569 46.199 87.745 -16.495 1.00 0.00 WT3 H ATOM 41740 OH2 TIP3 4570 75.289 16.199 39.469 1.00 0.00 WT3 O ATOM 41741 H1 TIP3 4570 76.014 16.048 38.863 1.00 0.00 WT3 H ATOM 41742 H2 TIP3 4570 75.515 17.014 39.916 1.00 0.00 WT3 H ATOM 41743 OH2 TIP3 4571 74.658 5.403 -19.363 1.00 0.00 WT3 O ATOM 41744 H1 TIP3 4571 73.728 5.373 -19.589 1.00 0.00 WT3 H ATOM 41745 H2 TIP3 4571 74.970 6.225 -19.742 1.00 0.00 WT3 H ATOM 41746 OH2 TIP3 4572 79.884 81.214 37.277 1.00 0.00 WT3 O ATOM 41747 H1 TIP3 4572 78.988 81.213 37.615 1.00 0.00 WT3 H ATOM 41748 H2 TIP3 4572 79.953 80.398 36.781 1.00 0.00 WT3 H ATOM 41749 OH2 TIP3 4573 83.530 16.639 38.828 1.00 0.00 WT3 O ATOM 41750 H1 TIP3 4573 84.167 15.996 39.139 1.00 0.00 WT3 H ATOM 41751 H2 TIP3 4573 84.062 17.369 38.510 1.00 0.00 WT3 H ATOM 41752 OH2 TIP3 4574 86.220 81.429 4.101 1.00 0.00 WT3 O ATOM 41753 H1 TIP3 4574 85.950 81.704 4.977 1.00 0.00 WT3 H ATOM 41754 H2 TIP3 4574 85.477 80.924 3.769 1.00 0.00 WT3 H ATOM 41755 OH2 TIP3 4575 58.902 64.476 55.495 1.00 0.00 WT3 O ATOM 41756 H1 TIP3 4575 58.009 64.801 55.375 1.00 0.00 WT3 H ATOM 41757 H2 TIP3 4575 59.283 64.494 54.617 1.00 0.00 WT3 H ATOM 41758 OH2 TIP3 4576 50.021 78.498 -14.010 1.00 0.00 WT3 O ATOM 41759 H1 TIP3 4576 49.389 78.193 -14.660 1.00 0.00 WT3 H ATOM 41760 H2 TIP3 4576 49.724 78.112 -13.186 1.00 0.00 WT3 H ATOM 41761 OH2 TIP3 4578 79.347 77.740 -5.226 1.00 0.00 WT3 O ATOM 41762 H1 TIP3 4578 78.460 78.101 -5.226 1.00 0.00 WT3 H ATOM 41763 H2 TIP3 4578 79.898 78.456 -4.909 1.00 0.00 WT3 H ATOM 41764 OH2 TIP3 4579 44.044 51.707 42.453 1.00 0.00 WT3 O ATOM 41765 H1 TIP3 4579 44.445 52.529 42.171 1.00 0.00 WT3 H ATOM 41766 H2 TIP3 4579 44.143 51.122 41.702 1.00 0.00 WT3 H ATOM 41767 OH2 TIP3 4581 81.527 60.219 5.794 1.00 0.00 WT3 O ATOM 41768 H1 TIP3 4581 80.600 60.106 6.003 1.00 0.00 WT3 H ATOM 41769 H2 TIP3 4581 81.670 61.164 5.837 1.00 0.00 WT3 H ATOM 41770 OH2 TIP3 4582 84.000 60.282 4.350 1.00 0.00 WT3 O ATOM 41771 H1 TIP3 4582 83.517 60.413 5.166 1.00 0.00 WT3 H ATOM 41772 H2 TIP3 4582 84.861 60.666 4.517 1.00 0.00 WT3 H ATOM 41773 OH2 TIP3 4585 66.102 6.520 29.180 1.00 0.00 WT3 O ATOM 41774 H1 TIP3 4585 66.387 7.425 29.309 1.00 0.00 WT3 H ATOM 41775 H2 TIP3 4585 65.238 6.596 28.775 1.00 0.00 WT3 H ATOM 41776 OH2 TIP3 4586 69.640 12.840 64.858 1.00 0.00 WT3 O ATOM 41777 H1 TIP3 4586 69.253 13.403 64.188 1.00 0.00 WT3 H ATOM 41778 H2 TIP3 4586 70.567 13.077 64.866 1.00 0.00 WT3 H ATOM 41779 OH2 TIP3 4587 37.514 83.574 2.699 1.00 0.00 WT3 O ATOM 41780 H1 TIP3 4587 38.373 83.153 2.662 1.00 0.00 WT3 H ATOM 41781 H2 TIP3 4587 37.436 84.034 1.862 1.00 0.00 WT3 H ATOM 41782 OH2 TIP3 4588 42.967 78.156 62.637 1.00 0.00 WT3 O ATOM 41783 H1 TIP3 4588 42.882 78.859 61.994 1.00 0.00 WT3 H ATOM 41784 H2 TIP3 4588 42.799 78.579 63.479 1.00 0.00 WT3 H ATOM 41785 OH2 TIP3 4592 26.241 31.239 54.793 1.00 0.00 WT3 O ATOM 41786 H1 TIP3 4592 25.995 31.874 54.120 1.00 0.00 WT3 H ATOM 41787 H2 TIP3 4592 25.775 31.528 55.578 1.00 0.00 WT3 H ATOM 41788 OH2 TIP3 4594 54.009 28.337 9.944 1.00 0.00 WT3 O ATOM 41789 H1 TIP3 4594 53.447 27.614 10.225 1.00 0.00 WT3 H ATOM 41790 H2 TIP3 4594 53.959 28.972 10.658 1.00 0.00 WT3 H ATOM 41791 OH2 TIP3 4596 29.955 61.053 10.160 1.00 0.00 WT3 O ATOM 41792 H1 TIP3 4596 30.683 61.665 10.055 1.00 0.00 WT3 H ATOM 41793 H2 TIP3 4596 30.315 60.338 10.686 1.00 0.00 WT3 H ATOM 41794 OH2 TIP3 4597 69.806 77.337 42.178 1.00 0.00 WT3 O ATOM 41795 H1 TIP3 4597 69.157 78.031 42.069 1.00 0.00 WT3 H ATOM 41796 H2 TIP3 4597 70.632 77.801 42.315 1.00 0.00 WT3 H ATOM 41797 OH2 TIP3 4598 40.790 84.659 14.384 1.00 0.00 WT3 O ATOM 41798 H1 TIP3 4598 40.891 85.609 14.316 1.00 0.00 WT3 H ATOM 41799 H2 TIP3 4598 41.685 84.320 14.361 1.00 0.00 WT3 H ATOM 41800 OH2 TIP3 4599 28.281 48.369 63.339 1.00 0.00 WT3 O ATOM 41801 H1 TIP3 4599 27.793 48.878 63.986 1.00 0.00 WT3 H ATOM 41802 H2 TIP3 4599 29.055 48.061 63.810 1.00 0.00 WT3 H ATOM 41803 OH2 TIP3 4600 45.138 8.868 26.033 1.00 0.00 WT3 O ATOM 41804 H1 TIP3 4600 45.401 9.193 26.894 1.00 0.00 WT3 H ATOM 41805 H2 TIP3 4600 44.874 9.651 25.551 1.00 0.00 WT3 H ATOM 41806 OH2 TIP3 4605 33.682 3.021 17.418 1.00 0.00 WT3 O ATOM 41807 H1 TIP3 4605 33.436 3.713 18.031 1.00 0.00 WT3 H ATOM 41808 H2 TIP3 4605 33.873 2.265 17.974 1.00 0.00 WT3 H ATOM 41809 OH2 TIP3 4606 61.767 87.858 23.775 1.00 0.00 WT3 O ATOM 41810 H1 TIP3 4606 62.581 88.248 23.455 1.00 0.00 WT3 H ATOM 41811 H2 TIP3 4606 62.048 87.217 24.428 1.00 0.00 WT3 H ATOM 41812 OH2 TIP3 4607 75.206 47.077 9.095 1.00 0.00 WT3 O ATOM 41813 H1 TIP3 4607 75.382 47.686 9.813 1.00 0.00 WT3 H ATOM 41814 H2 TIP3 4607 76.069 46.878 8.732 1.00 0.00 WT3 H ATOM 41815 OH2 TIP3 4610 32.059 49.340 44.494 1.00 0.00 WT3 O ATOM 41816 H1 TIP3 4610 32.541 49.319 45.321 1.00 0.00 WT3 H ATOM 41817 H2 TIP3 4610 32.398 50.111 44.039 1.00 0.00 WT3 H ATOM 41818 OH2 TIP3 4611 40.225 76.222 -14.212 1.00 0.00 WT3 O ATOM 41819 H1 TIP3 4611 39.367 75.908 -13.926 1.00 0.00 WT3 H ATOM 41820 H2 TIP3 4611 40.711 75.427 -14.432 1.00 0.00 WT3 H ATOM 41821 OH2 TIP3 4612 33.584 83.267 50.740 1.00 0.00 WT3 O ATOM 41822 H1 TIP3 4612 32.725 82.924 50.495 1.00 0.00 WT3 H ATOM 41823 H2 TIP3 4612 33.455 83.636 51.614 1.00 0.00 WT3 H ATOM 41824 OH2 TIP3 4614 62.300 73.388 28.756 1.00 0.00 WT3 O ATOM 41825 H1 TIP3 4614 62.242 72.500 28.405 1.00 0.00 WT3 H ATOM 41826 H2 TIP3 4614 61.413 73.585 29.058 1.00 0.00 WT3 H ATOM 41827 OH2 TIP3 4615 46.293 2.192 3.175 1.00 0.00 WT3 O ATOM 41828 H1 TIP3 4615 45.496 2.030 3.679 1.00 0.00 WT3 H ATOM 41829 H2 TIP3 4615 46.323 1.480 2.537 1.00 0.00 WT3 H ATOM 41830 OH2 TIP3 4616 89.606 76.857 43.439 1.00 0.00 WT3 O ATOM 41831 H1 TIP3 4616 89.934 76.089 42.972 1.00 0.00 WT3 H ATOM 41832 H2 TIP3 4616 88.872 77.166 42.908 1.00 0.00 WT3 H ATOM 41833 OH2 TIP3 4617 71.054 60.259 4.163 1.00 0.00 WT3 O ATOM 41834 H1 TIP3 4617 71.817 59.716 4.363 1.00 0.00 WT3 H ATOM 41835 H2 TIP3 4617 70.586 60.330 4.995 1.00 0.00 WT3 H ATOM 41836 OH2 TIP3 4619 46.973 71.848 45.183 1.00 0.00 WT3 O ATOM 41837 H1 TIP3 4619 46.880 72.201 44.298 1.00 0.00 WT3 H ATOM 41838 H2 TIP3 4619 47.362 70.983 45.057 1.00 0.00 WT3 H ATOM 41839 OH2 TIP3 4620 73.418 22.692 65.772 1.00 0.00 WT3 O ATOM 41840 H1 TIP3 4620 72.463 22.702 65.706 1.00 0.00 WT3 H ATOM 41841 H2 TIP3 4620 73.714 22.354 64.927 1.00 0.00 WT3 H ATOM 41842 OH2 TIP3 4624 37.055 66.438 52.567 1.00 0.00 WT3 O ATOM 41843 H1 TIP3 4624 36.631 66.936 51.869 1.00 0.00 WT3 H ATOM 41844 H2 TIP3 4624 37.485 67.101 53.107 1.00 0.00 WT3 H ATOM 41845 OH2 TIP3 4625 46.336 16.373 45.086 1.00 0.00 WT3 O ATOM 41846 H1 TIP3 4625 47.265 16.334 45.314 1.00 0.00 WT3 H ATOM 41847 H2 TIP3 4625 46.201 17.271 44.782 1.00 0.00 WT3 H ATOM 41848 OH2 TIP3 4626 23.391 91.345 35.086 1.00 0.00 WT3 O ATOM 41849 H1 TIP3 4626 22.944 90.626 34.639 1.00 0.00 WT3 H ATOM 41850 H2 TIP3 4626 24.290 91.037 35.197 1.00 0.00 WT3 H ATOM 41851 OH2 TIP3 4628 25.048 96.446 41.988 1.00 0.00 WT3 O ATOM 41852 H1 TIP3 4628 25.880 96.249 42.419 1.00 0.00 WT3 H ATOM 41853 H2 TIP3 4628 25.298 96.817 41.142 1.00 0.00 WT3 H ATOM 41854 OH2 TIP3 4630 81.114 54.596 45.202 1.00 0.00 WT3 O ATOM 41855 H1 TIP3 4630 80.436 54.526 44.530 1.00 0.00 WT3 H ATOM 41856 H2 TIP3 4630 80.845 55.343 45.738 1.00 0.00 WT3 H ATOM 41857 OH2 TIP3 4631 37.029 15.853 45.570 1.00 0.00 WT3 O ATOM 41858 H1 TIP3 4631 37.206 16.649 45.068 1.00 0.00 WT3 H ATOM 41859 H2 TIP3 4631 37.895 15.482 45.744 1.00 0.00 WT3 H ATOM 41860 OH2 TIP3 4638 50.368 91.221 50.228 1.00 0.00 WT3 O ATOM 41861 H1 TIP3 4638 50.026 90.631 50.900 1.00 0.00 WT3 H ATOM 41862 H2 TIP3 4638 50.186 90.775 49.401 1.00 0.00 WT3 H ATOM 41863 OH2 TIP3 4639 65.261 57.745 17.348 1.00 0.00 WT3 O ATOM 41864 H1 TIP3 4639 64.476 58.158 16.989 1.00 0.00 WT3 H ATOM 41865 H2 TIP3 4639 65.211 56.837 17.052 1.00 0.00 WT3 H ATOM 41866 OH2 TIP3 4644 38.883 39.236 56.583 1.00 0.00 WT3 O ATOM 41867 H1 TIP3 4644 39.574 39.744 56.158 1.00 0.00 WT3 H ATOM 41868 H2 TIP3 4644 38.093 39.440 56.082 1.00 0.00 WT3 H ATOM 41869 OH2 TIP3 4649 55.968 79.055 -7.006 1.00 0.00 WT3 O ATOM 41870 H1 TIP3 4649 55.994 78.099 -6.963 1.00 0.00 WT3 H ATOM 41871 H2 TIP3 4649 56.717 79.339 -6.481 1.00 0.00 WT3 H ATOM 41872 OH2 TIP3 4654 85.880 19.733 0.359 1.00 0.00 WT3 O ATOM 41873 H1 TIP3 4654 85.886 18.914 -0.137 1.00 0.00 WT3 H ATOM 41874 H2 TIP3 4654 86.523 20.286 -0.084 1.00 0.00 WT3 H ATOM 41875 OH2 TIP3 4656 39.231 17.767 48.407 1.00 0.00 WT3 O ATOM 41876 H1 TIP3 4656 39.086 18.601 47.960 1.00 0.00 WT3 H ATOM 41877 H2 TIP3 4656 40.035 17.423 48.019 1.00 0.00 WT3 H ATOM 41878 OH2 TIP3 4657 27.436 61.580 57.325 1.00 0.00 WT3 O ATOM 41879 H1 TIP3 4657 27.900 62.344 57.668 1.00 0.00 WT3 H ATOM 41880 H2 TIP3 4657 27.101 61.134 58.103 1.00 0.00 WT3 H ATOM 41881 OH2 TIP3 4662 82.736 55.601 4.687 1.00 0.00 WT3 O ATOM 41882 H1 TIP3 4662 82.738 55.328 5.605 1.00 0.00 WT3 H ATOM 41883 H2 TIP3 4662 82.606 54.790 4.196 1.00 0.00 WT3 H ATOM 41884 OH2 TIP3 4663 42.247 93.137 38.041 1.00 0.00 WT3 O ATOM 41885 H1 TIP3 4663 42.657 92.329 38.349 1.00 0.00 WT3 H ATOM 41886 H2 TIP3 4663 41.452 92.848 37.594 1.00 0.00 WT3 H ATOM 41887 OH2 TIP3 4695 47.552 11.211 62.296 1.00 0.00 WT3 O ATOM 41888 H1 TIP3 4695 46.743 11.716 62.378 1.00 0.00 WT3 H ATOM 41889 H2 TIP3 4695 47.460 10.505 62.936 1.00 0.00 WT3 H ATOM 41890 OH2 TIP3 4701 59.238 8.108 29.728 1.00 0.00 WT3 O ATOM 41891 H1 TIP3 4701 59.979 8.109 29.122 1.00 0.00 WT3 H ATOM 41892 H2 TIP3 4701 59.464 7.448 30.383 1.00 0.00 WT3 H ATOM 41893 OH2 TIP3 4719 67.956 43.553 4.976 1.00 0.00 WT3 O ATOM 41894 H1 TIP3 4719 67.664 44.440 5.186 1.00 0.00 WT3 H ATOM 41895 H2 TIP3 4719 68.566 43.328 5.679 1.00 0.00 WT3 H ATOM 41896 OH2 TIP3 4725 50.447 9.805 57.712 1.00 0.00 WT3 O ATOM 41897 H1 TIP3 4725 49.760 9.144 57.627 1.00 0.00 WT3 H ATOM 41898 H2 TIP3 4725 51.264 9.308 57.682 1.00 0.00 WT3 H ATOM 41899 OH2 TIP3 4797 47.274 12.156 10.579 1.00 0.00 WT3 O ATOM 41900 H1 TIP3 4797 47.178 12.837 11.245 1.00 0.00 WT3 H ATOM 41901 H2 TIP3 4797 46.992 11.352 11.014 1.00 0.00 WT3 H ATOM 41902 OH2 TIP3 4807 39.211 79.809 -18.169 1.00 0.00 WT3 O ATOM 41903 H1 TIP3 4807 40.139 79.933 -17.973 1.00 0.00 WT3 H ATOM 41904 H2 TIP3 4807 39.202 79.322 -18.993 1.00 0.00 WT3 H ATOM 41905 OH2 TIP3 4808 22.097 63.814 41.318 1.00 0.00 WT3 O ATOM 41906 H1 TIP3 4808 21.925 63.985 42.244 1.00 0.00 WT3 H ATOM 41907 H2 TIP3 4808 22.800 63.165 41.320 1.00 0.00 WT3 H ATOM 41908 OH2 TIP3 4809 84.961 14.916 52.814 1.00 0.00 WT3 O ATOM 41909 H1 TIP3 4809 85.580 15.036 52.094 1.00 0.00 WT3 H ATOM 41910 H2 TIP3 4809 84.703 13.996 52.757 1.00 0.00 WT3 H ATOM 41911 OH2 TIP3 4814 88.068 15.343 1.308 1.00 0.00 WT3 O ATOM 41912 H1 TIP3 4814 87.789 14.581 0.800 1.00 0.00 WT3 H ATOM 41913 H2 TIP3 4814 87.760 15.165 2.196 1.00 0.00 WT3 H ATOM 41914 OH2 TIP3 4834 65.790 78.105 23.072 1.00 0.00 WT3 O ATOM 41915 H1 TIP3 4834 65.722 77.150 23.045 1.00 0.00 WT3 H ATOM 41916 H2 TIP3 4834 66.321 78.329 22.307 1.00 0.00 WT3 H ATOM 41917 OH2 TIP3 4835 61.646 19.158 24.344 1.00 0.00 WT3 O ATOM 41918 H1 TIP3 4835 61.251 19.861 23.827 1.00 0.00 WT3 H ATOM 41919 H2 TIP3 4835 62.049 19.604 25.088 1.00 0.00 WT3 H ATOM 41920 OH2 TIP3 4836 79.643 78.705 -14.128 1.00 0.00 WT3 O ATOM 41921 H1 TIP3 4836 79.278 78.642 -15.011 1.00 0.00 WT3 H ATOM 41922 H2 TIP3 4836 79.135 78.077 -13.614 1.00 0.00 WT3 H ATOM 41923 OH2 TIP3 4844 74.185 68.443 23.225 1.00 0.00 WT3 O ATOM 41924 H1 TIP3 4844 73.910 68.349 24.137 1.00 0.00 WT3 H ATOM 41925 H2 TIP3 4844 73.727 69.224 22.916 1.00 0.00 WT3 H ATOM 41926 OH2 TIP3 4845 69.146 1.154 36.452 1.00 0.00 WT3 O ATOM 41927 H1 TIP3 4845 69.597 0.317 36.348 1.00 0.00 WT3 H ATOM 41928 H2 TIP3 4845 68.604 1.234 35.666 1.00 0.00 WT3 H ATOM 41929 OH2 TIP3 4847 71.437 4.844 59.769 1.00 0.00 WT3 O ATOM 41930 H1 TIP3 4847 71.673 4.753 58.846 1.00 0.00 WT3 H ATOM 41931 H2 TIP3 4847 70.487 4.728 59.787 1.00 0.00 WT3 H ATOM 41932 OH2 TIP3 4849 87.807 50.616 4.905 1.00 0.00 WT3 O ATOM 41933 H1 TIP3 4849 88.117 50.064 5.623 1.00 0.00 WT3 H ATOM 41934 H2 TIP3 4849 88.483 50.536 4.232 1.00 0.00 WT3 H ATOM 41935 OH2 TIP3 4851 34.445 49.554 25.790 1.00 0.00 WT3 O ATOM 41936 H1 TIP3 4851 34.676 49.957 24.953 1.00 0.00 WT3 H ATOM 41937 H2 TIP3 4851 34.856 48.690 25.761 1.00 0.00 WT3 H ATOM 41938 OH2 TIP3 4853 47.645 84.517 -12.660 1.00 0.00 WT3 O ATOM 41939 H1 TIP3 4853 47.042 83.779 -12.569 1.00 0.00 WT3 H ATOM 41940 H2 TIP3 4853 47.187 85.252 -12.253 1.00 0.00 WT3 H ATOM 41941 OH2 TIP3 4855 49.097 12.075 6.060 1.00 0.00 WT3 O ATOM 41942 H1 TIP3 4855 49.288 12.707 6.753 1.00 0.00 WT3 H ATOM 41943 H2 TIP3 4855 49.262 11.222 6.461 1.00 0.00 WT3 H ATOM 41944 OH2 TIP3 4857 88.154 60.418 23.081 1.00 0.00 WT3 O ATOM 41945 H1 TIP3 4857 88.141 59.461 23.125 1.00 0.00 WT3 H ATOM 41946 H2 TIP3 4857 87.231 60.671 23.089 1.00 0.00 WT3 H ATOM 41947 OH2 TIP3 4863 49.520 63.058 4.456 1.00 0.00 WT3 O ATOM 41948 H1 TIP3 4863 50.048 63.842 4.306 1.00 0.00 WT3 H ATOM 41949 H2 TIP3 4863 49.468 62.982 5.409 1.00 0.00 WT3 H ATOM 41950 OH2 TIP3 4864 57.518 60.477 -8.317 1.00 0.00 WT3 O ATOM 41951 H1 TIP3 4864 56.854 59.797 -8.201 1.00 0.00 WT3 H ATOM 41952 H2 TIP3 4864 57.383 61.072 -7.579 1.00 0.00 WT3 H ATOM 41953 OH2 TIP3 4870 49.302 62.372 58.949 1.00 0.00 WT3 O ATOM 41954 H1 TIP3 4870 49.486 62.153 58.036 1.00 0.00 WT3 H ATOM 41955 H2 TIP3 4870 49.472 63.312 59.009 1.00 0.00 WT3 H ATOM 41956 OH2 TIP3 4872 49.258 12.221 57.550 1.00 0.00 WT3 O ATOM 41957 H1 TIP3 4872 49.342 12.442 58.477 1.00 0.00 WT3 H ATOM 41958 H2 TIP3 4872 49.684 11.368 57.467 1.00 0.00 WT3 H ATOM 41959 OH2 TIP3 4873 79.359 6.815 7.973 1.00 0.00 WT3 O ATOM 41960 H1 TIP3 4873 78.530 6.386 8.185 1.00 0.00 WT3 H ATOM 41961 H2 TIP3 4873 79.782 6.225 7.349 1.00 0.00 WT3 H ATOM 41962 OH2 TIP3 4875 84.475 25.648 65.343 1.00 0.00 WT3 O ATOM 41963 H1 TIP3 4875 84.778 26.433 65.799 1.00 0.00 WT3 H ATOM 41964 H2 TIP3 4875 84.903 25.689 64.487 1.00 0.00 WT3 H ATOM 41965 OH2 TIP3 4877 33.670 68.355 -13.347 1.00 0.00 WT3 O ATOM 41966 H1 TIP3 4877 34.480 68.438 -13.850 1.00 0.00 WT3 H ATOM 41967 H2 TIP3 4877 33.953 68.044 -12.487 1.00 0.00 WT3 H ATOM 41968 OH2 TIP3 4881 64.760 83.685 10.348 1.00 0.00 WT3 O ATOM 41969 H1 TIP3 4881 64.181 83.656 9.587 1.00 0.00 WT3 H ATOM 41970 H2 TIP3 4881 65.131 82.804 10.400 1.00 0.00 WT3 H ATOM 41971 OH2 TIP3 4888 84.655 87.820 -4.180 1.00 0.00 WT3 O ATOM 41972 H1 TIP3 4888 84.606 88.096 -5.095 1.00 0.00 WT3 H ATOM 41973 H2 TIP3 4888 84.527 88.625 -3.679 1.00 0.00 WT3 H ATOM 41974 OH2 TIP3 4893 58.887 30.870 1.594 1.00 0.00 WT3 O ATOM 41975 H1 TIP3 4893 59.250 30.595 0.752 1.00 0.00 WT3 H ATOM 41976 H2 TIP3 4893 58.720 31.807 1.488 1.00 0.00 WT3 H ATOM 41977 OH2 TIP3 4894 73.116 67.597 8.226 1.00 0.00 WT3 O ATOM 41978 H1 TIP3 4894 72.563 67.771 8.988 1.00 0.00 WT3 H ATOM 41979 H2 TIP3 4894 72.581 67.860 7.477 1.00 0.00 WT3 H ATOM 41980 OH2 TIP3 4895 27.138 7.687 38.951 1.00 0.00 WT3 O ATOM 41981 H1 TIP3 4895 26.456 7.214 38.474 1.00 0.00 WT3 H ATOM 41982 H2 TIP3 4895 26.963 7.496 39.872 1.00 0.00 WT3 H ATOM 41983 OH2 TIP3 4896 74.462 4.859 -8.189 1.00 0.00 WT3 O ATOM 41984 H1 TIP3 4896 73.519 5.018 -8.239 1.00 0.00 WT3 H ATOM 41985 H2 TIP3 4896 74.562 3.934 -8.416 1.00 0.00 WT3 H ATOM 41986 OH2 TIP3 4897 34.073 59.250 20.962 1.00 0.00 WT3 O ATOM 41987 H1 TIP3 4897 33.925 59.906 21.643 1.00 0.00 WT3 H ATOM 41988 H2 TIP3 4897 34.716 59.651 20.377 1.00 0.00 WT3 H ATOM 41989 OH2 TIP3 4898 61.032 62.290 32.097 1.00 0.00 WT3 O ATOM 41990 H1 TIP3 4898 60.313 61.663 32.178 1.00 0.00 WT3 H ATOM 41991 H2 TIP3 4898 60.783 62.847 31.360 1.00 0.00 WT3 H ATOM 41992 OH2 TIP3 4899 43.280 32.831 -0.401 1.00 0.00 WT3 O ATOM 41993 H1 TIP3 4899 43.357 33.011 0.536 1.00 0.00 WT3 H ATOM 41994 H2 TIP3 4899 42.747 33.549 -0.741 1.00 0.00 WT3 H ATOM 41995 OH2 TIP3 4902 85.406 77.679 44.475 1.00 0.00 WT3 O ATOM 41996 H1 TIP3 4902 84.844 77.005 44.093 1.00 0.00 WT3 H ATOM 41997 H2 TIP3 4902 86.021 77.195 45.026 1.00 0.00 WT3 H ATOM 41998 OH2 TIP3 4905 50.764 3.288 24.393 1.00 0.00 WT3 O ATOM 41999 H1 TIP3 4905 50.150 3.255 23.659 1.00 0.00 WT3 H ATOM 42000 H2 TIP3 4905 51.627 3.337 23.982 1.00 0.00 WT3 H ATOM 42001 OH2 TIP3 4906 85.052 93.900 7.028 1.00 0.00 WT3 O ATOM 42002 H1 TIP3 4906 84.355 93.751 6.389 1.00 0.00 WT3 H ATOM 42003 H2 TIP3 4906 85.018 94.841 7.204 1.00 0.00 WT3 H ATOM 42004 OH2 TIP3 4909 40.715 53.933 -19.670 1.00 0.00 WT3 O ATOM 42005 H1 TIP3 4909 41.545 53.484 -19.831 1.00 0.00 WT3 H ATOM 42006 H2 TIP3 4909 40.894 54.850 -19.881 1.00 0.00 WT3 H ATOM 42007 OH2 TIP3 4910 22.939 27.615 57.421 1.00 0.00 WT3 O ATOM 42008 H1 TIP3 4910 23.712 27.053 57.481 1.00 0.00 WT3 H ATOM 42009 H2 TIP3 4910 22.942 28.115 58.238 1.00 0.00 WT3 H ATOM 42010 OH2 TIP3 4913 47.831 48.401 53.293 1.00 0.00 WT3 O ATOM 42011 H1 TIP3 4913 48.412 49.155 53.391 1.00 0.00 WT3 H ATOM 42012 H2 TIP3 4913 47.142 48.704 52.702 1.00 0.00 WT3 H ATOM 42013 OH2 TIP3 4914 89.643 76.758 -17.112 1.00 0.00 WT3 O ATOM 42014 H1 TIP3 4914 89.323 76.927 -16.227 1.00 0.00 WT3 H ATOM 42015 H2 TIP3 4914 88.925 77.030 -17.684 1.00 0.00 WT3 H ATOM 42016 OH2 TIP3 4915 25.113 38.030 3.248 1.00 0.00 WT3 O ATOM 42017 H1 TIP3 4915 25.078 38.262 4.176 1.00 0.00 WT3 H ATOM 42018 H2 TIP3 4915 26.013 37.735 3.108 1.00 0.00 WT3 H ATOM 42019 OH2 TIP3 4916 84.611 24.904 -10.157 1.00 0.00 WT3 O ATOM 42020 H1 TIP3 4916 84.781 24.925 -9.216 1.00 0.00 WT3 H ATOM 42021 H2 TIP3 4916 84.445 23.981 -10.351 1.00 0.00 WT3 H ATOM 42022 OH2 TIP3 4917 62.631 72.041 -5.628 1.00 0.00 WT3 O ATOM 42023 H1 TIP3 4917 63.306 72.014 -6.305 1.00 0.00 WT3 H ATOM 42024 H2 TIP3 4917 62.170 71.206 -5.714 1.00 0.00 WT3 H ATOM 42025 OH2 TIP3 4919 58.959 81.635 16.828 1.00 0.00 WT3 O ATOM 42026 H1 TIP3 4919 58.047 81.702 17.109 1.00 0.00 WT3 H ATOM 42027 H2 TIP3 4919 59.310 80.896 17.326 1.00 0.00 WT3 H ATOM 42028 OH2 TIP3 4920 62.727 7.132 -9.799 1.00 0.00 WT3 O ATOM 42029 H1 TIP3 4920 62.052 7.761 -9.544 1.00 0.00 WT3 H ATOM 42030 H2 TIP3 4920 62.493 6.327 -9.338 1.00 0.00 WT3 H ATOM 42031 OH2 TIP3 4922 36.227 88.767 38.259 1.00 0.00 WT3 O ATOM 42032 H1 TIP3 4922 36.951 89.352 38.480 1.00 0.00 WT3 H ATOM 42033 H2 TIP3 4922 36.583 87.887 38.382 1.00 0.00 WT3 H ATOM 42034 OH2 TIP3 4924 24.997 63.589 -3.733 1.00 0.00 WT3 O ATOM 42035 H1 TIP3 4924 25.731 63.406 -4.319 1.00 0.00 WT3 H ATOM 42036 H2 TIP3 4924 25.376 63.553 -2.855 1.00 0.00 WT3 H ATOM 42037 OH2 TIP3 4928 36.932 67.270 20.623 1.00 0.00 WT3 O ATOM 42038 H1 TIP3 4928 37.558 67.157 19.908 1.00 0.00 WT3 H ATOM 42039 H2 TIP3 4928 37.404 67.788 21.275 1.00 0.00 WT3 H ATOM 42040 OH2 TIP3 4929 37.057 70.652 23.632 1.00 0.00 WT3 O ATOM 42041 H1 TIP3 4929 36.386 70.034 23.341 1.00 0.00 WT3 H ATOM 42042 H2 TIP3 4929 37.884 70.247 23.372 1.00 0.00 WT3 H ATOM 42043 OH2 TIP3 4931 43.778 60.678 42.505 1.00 0.00 WT3 O ATOM 42044 H1 TIP3 4931 44.624 61.011 42.805 1.00 0.00 WT3 H ATOM 42045 H2 TIP3 4931 43.999 60.019 41.847 1.00 0.00 WT3 H ATOM 42046 OH2 TIP3 4933 72.885 61.751 27.731 1.00 0.00 WT3 O ATOM 42047 H1 TIP3 4933 72.494 61.407 28.534 1.00 0.00 WT3 H ATOM 42048 H2 TIP3 4933 72.168 61.753 27.096 1.00 0.00 WT3 H ATOM 42049 OH2 TIP3 4934 41.179 3.594 63.618 1.00 0.00 WT3 O ATOM 42050 H1 TIP3 4934 42.064 3.280 63.804 1.00 0.00 WT3 H ATOM 42051 H2 TIP3 4934 40.725 2.832 63.256 1.00 0.00 WT3 H ATOM 42052 OH2 TIP3 4935 82.463 34.525 1.170 1.00 0.00 WT3 O ATOM 42053 H1 TIP3 4935 82.692 33.596 1.158 1.00 0.00 WT3 H ATOM 42054 H2 TIP3 4935 82.972 34.889 1.895 1.00 0.00 WT3 H ATOM 42055 OH2 TIP3 4936 71.586 91.225 -19.603 1.00 0.00 WT3 O ATOM 42056 H1 TIP3 4936 71.606 92.128 -19.922 1.00 0.00 WT3 H ATOM 42057 H2 TIP3 4936 71.012 91.254 -18.838 1.00 0.00 WT3 H ATOM 42058 OH2 TIP3 4937 84.057 61.864 -4.252 1.00 0.00 WT3 O ATOM 42059 H1 TIP3 4937 84.435 61.852 -3.372 1.00 0.00 WT3 H ATOM 42060 H2 TIP3 4937 84.529 61.179 -4.725 1.00 0.00 WT3 H ATOM 42061 OH2 TIP3 4938 24.350 95.528 22.919 1.00 0.00 WT3 O ATOM 42062 H1 TIP3 4938 24.750 95.981 23.662 1.00 0.00 WT3 H ATOM 42063 H2 TIP3 4938 25.084 95.111 22.469 1.00 0.00 WT3 H ATOM 42064 OH2 TIP3 4939 41.439 46.378 -1.424 1.00 0.00 WT3 O ATOM 42065 H1 TIP3 4939 41.747 46.813 -0.629 1.00 0.00 WT3 H ATOM 42066 H2 TIP3 4939 42.011 45.617 -1.518 1.00 0.00 WT3 H ATOM 42067 OH2 TIP3 4940 31.503 6.382 63.446 1.00 0.00 WT3 O ATOM 42068 H1 TIP3 4940 30.654 6.211 63.853 1.00 0.00 WT3 H ATOM 42069 H2 TIP3 4940 31.310 6.992 62.734 1.00 0.00 WT3 H ATOM 42070 OH2 TIP3 4942 80.974 68.027 -10.382 1.00 0.00 WT3 O ATOM 42071 H1 TIP3 4942 80.663 67.634 -9.567 1.00 0.00 WT3 H ATOM 42072 H2 TIP3 4942 80.331 68.707 -10.582 1.00 0.00 WT3 H ATOM 42073 OH2 TIP3 4943 23.297 44.806 -16.551 1.00 0.00 WT3 O ATOM 42074 H1 TIP3 4943 22.946 45.690 -16.447 1.00 0.00 WT3 H ATOM 42075 H2 TIP3 4943 24.034 44.767 -15.941 1.00 0.00 WT3 H ATOM 42076 OH2 TIP3 4944 49.893 16.921 41.679 1.00 0.00 WT3 O ATOM 42077 H1 TIP3 4944 49.948 17.557 42.393 1.00 0.00 WT3 H ATOM 42078 H2 TIP3 4944 48.955 16.826 41.514 1.00 0.00 WT3 H ATOM 42079 OH2 TIP3 4945 24.791 66.111 18.993 1.00 0.00 WT3 O ATOM 42080 H1 TIP3 4945 25.183 65.313 19.346 1.00 0.00 WT3 H ATOM 42081 H2 TIP3 4945 23.856 66.019 19.171 1.00 0.00 WT3 H ATOM 42082 OH2 TIP3 4946 42.386 66.532 66.156 1.00 0.00 WT3 O ATOM 42083 H1 TIP3 4946 41.966 65.712 66.417 1.00 0.00 WT3 H ATOM 42084 H2 TIP3 4946 43.288 66.286 65.953 1.00 0.00 WT3 H ATOM 42085 OH2 TIP3 4949 27.709 69.131 -12.087 1.00 0.00 WT3 O ATOM 42086 H1 TIP3 4949 27.251 69.743 -11.511 1.00 0.00 WT3 H ATOM 42087 H2 TIP3 4949 28.588 69.499 -12.177 1.00 0.00 WT3 H ATOM 42088 OH2 TIP3 4950 79.735 63.965 56.381 1.00 0.00 WT3 O ATOM 42089 H1 TIP3 4950 80.228 64.773 56.240 1.00 0.00 WT3 H ATOM 42090 H2 TIP3 4950 79.498 63.671 55.502 1.00 0.00 WT3 H ATOM 42091 OH2 TIP3 4953 58.599 64.472 18.402 1.00 0.00 WT3 O ATOM 42092 H1 TIP3 4953 57.954 64.044 17.839 1.00 0.00 WT3 H ATOM 42093 H2 TIP3 4953 59.097 63.751 18.787 1.00 0.00 WT3 H ATOM 42094 OH2 TIP3 4954 70.084 92.008 11.950 1.00 0.00 WT3 O ATOM 42095 H1 TIP3 4954 69.786 92.208 11.063 1.00 0.00 WT3 H ATOM 42096 H2 TIP3 4954 71.038 92.078 11.904 1.00 0.00 WT3 H ATOM 42097 OH2 TIP3 4955 56.733 78.201 14.640 1.00 0.00 WT3 O ATOM 42098 H1 TIP3 4955 56.605 78.014 15.570 1.00 0.00 WT3 H ATOM 42099 H2 TIP3 4955 57.560 77.771 14.420 1.00 0.00 WT3 H ATOM 42100 OH2 TIP3 4956 33.007 14.190 47.708 1.00 0.00 WT3 O ATOM 42101 H1 TIP3 4956 33.534 13.395 47.629 1.00 0.00 WT3 H ATOM 42102 H2 TIP3 4956 33.552 14.878 47.327 1.00 0.00 WT3 H ATOM 42103 OH2 TIP3 4957 48.145 83.348 8.801 1.00 0.00 WT3 O ATOM 42104 H1 TIP3 4957 48.964 83.595 9.230 1.00 0.00 WT3 H ATOM 42105 H2 TIP3 4957 48.302 82.462 8.476 1.00 0.00 WT3 H ATOM 42106 OH2 TIP3 4958 71.352 92.955 -7.772 1.00 0.00 WT3 O ATOM 42107 H1 TIP3 4958 72.296 92.802 -7.809 1.00 0.00 WT3 H ATOM 42108 H2 TIP3 4958 70.974 92.091 -7.608 1.00 0.00 WT3 H ATOM 42109 OH2 TIP3 4959 30.321 3.191 15.903 1.00 0.00 WT3 O ATOM 42110 H1 TIP3 4959 30.501 2.273 16.104 1.00 0.00 WT3 H ATOM 42111 H2 TIP3 4959 30.231 3.611 16.758 1.00 0.00 WT3 H ATOM 42112 OH2 TIP3 4960 81.088 70.175 5.308 1.00 0.00 WT3 O ATOM 42113 H1 TIP3 4960 81.311 69.994 6.221 1.00 0.00 WT3 H ATOM 42114 H2 TIP3 4960 81.481 69.454 4.816 1.00 0.00 WT3 H ATOM 42115 OH2 TIP3 4961 23.212 27.845 -2.401 1.00 0.00 WT3 O ATOM 42116 H1 TIP3 4961 23.898 27.534 -1.811 1.00 0.00 WT3 H ATOM 42117 H2 TIP3 4961 23.686 28.239 -3.134 1.00 0.00 WT3 H ATOM 42118 OH2 TIP3 4962 26.499 20.038 59.324 1.00 0.00 WT3 O ATOM 42119 H1 TIP3 4962 26.147 19.498 58.616 1.00 0.00 WT3 H ATOM 42120 H2 TIP3 4962 27.449 19.970 59.227 1.00 0.00 WT3 H ATOM 42121 OH2 TIP3 4963 30.979 3.307 -17.686 1.00 0.00 WT3 O ATOM 42122 H1 TIP3 4963 31.782 2.818 -17.863 1.00 0.00 WT3 H ATOM 42123 H2 TIP3 4963 30.375 2.655 -17.329 1.00 0.00 WT3 H ATOM 42124 OH2 TIP3 4964 37.823 44.801 -11.480 1.00 0.00 WT3 O ATOM 42125 H1 TIP3 4964 36.996 45.194 -11.200 1.00 0.00 WT3 H ATOM 42126 H2 TIP3 4964 38.474 45.490 -11.343 1.00 0.00 WT3 H ATOM 42127 OH2 TIP3 4965 43.320 73.567 0.897 1.00 0.00 WT3 O ATOM 42128 H1 TIP3 4965 44.114 74.002 1.210 1.00 0.00 WT3 H ATOM 42129 H2 TIP3 4965 43.543 72.636 0.894 1.00 0.00 WT3 H ATOM 42130 OH2 TIP3 4967 90.369 72.328 12.218 1.00 0.00 WT3 O ATOM 42131 H1 TIP3 4967 90.410 72.914 12.975 1.00 0.00 WT3 H ATOM 42132 H2 TIP3 4967 91.102 71.726 12.341 1.00 0.00 WT3 H ATOM 42133 OH2 TIP3 4968 44.257 30.263 5.875 1.00 0.00 WT3 O ATOM 42134 H1 TIP3 4968 44.737 31.065 6.082 1.00 0.00 WT3 H ATOM 42135 H2 TIP3 4968 43.688 30.122 6.632 1.00 0.00 WT3 H ATOM 42136 OH2 TIP3 4970 74.269 70.081 5.649 1.00 0.00 WT3 O ATOM 42137 H1 TIP3 4970 74.242 70.663 4.890 1.00 0.00 WT3 H ATOM 42138 H2 TIP3 4970 73.472 70.286 6.137 1.00 0.00 WT3 H ATOM 42139 OH2 TIP3 4971 55.364 36.702 42.951 1.00 0.00 WT3 O ATOM 42140 H1 TIP3 4971 55.834 37.535 42.964 1.00 0.00 WT3 H ATOM 42141 H2 TIP3 4971 54.439 36.947 42.958 1.00 0.00 WT3 H ATOM 42142 OH2 TIP3 4972 51.635 84.333 0.230 1.00 0.00 WT3 O ATOM 42143 H1 TIP3 4972 51.796 83.450 -0.101 1.00 0.00 WT3 H ATOM 42144 H2 TIP3 4972 51.239 84.198 1.091 1.00 0.00 WT3 H ATOM 42145 OH2 TIP3 4973 78.321 63.069 48.157 1.00 0.00 WT3 O ATOM 42146 H1 TIP3 4973 77.549 63.152 47.597 1.00 0.00 WT3 H ATOM 42147 H2 TIP3 4973 77.988 63.195 49.045 1.00 0.00 WT3 H ATOM 42148 OH2 TIP3 4974 52.896 78.101 29.606 1.00 0.00 WT3 O ATOM 42149 H1 TIP3 4974 52.711 77.236 29.972 1.00 0.00 WT3 H ATOM 42150 H2 TIP3 4974 53.817 78.258 29.814 1.00 0.00 WT3 H ATOM 42151 OH2 TIP3 4975 77.899 86.980 14.217 1.00 0.00 WT3 O ATOM 42152 H1 TIP3 4975 78.026 86.266 14.841 1.00 0.00 WT3 H ATOM 42153 H2 TIP3 4975 78.584 86.851 13.562 1.00 0.00 WT3 H ATOM 42154 OH2 TIP3 4976 68.537 78.483 -2.599 1.00 0.00 WT3 O ATOM 42155 H1 TIP3 4976 67.694 78.286 -3.007 1.00 0.00 WT3 H ATOM 42156 H2 TIP3 4976 68.700 77.742 -2.015 1.00 0.00 WT3 H ATOM 42157 OH2 TIP3 4977 74.453 13.582 52.940 1.00 0.00 WT3 O ATOM 42158 H1 TIP3 4977 74.805 12.725 53.183 1.00 0.00 WT3 H ATOM 42159 H2 TIP3 4977 73.516 13.429 52.816 1.00 0.00 WT3 H ATOM 42160 OH2 TIP3 4978 61.493 13.812 20.410 1.00 0.00 WT3 O ATOM 42161 H1 TIP3 4978 61.572 14.619 20.917 1.00 0.00 WT3 H ATOM 42162 H2 TIP3 4978 61.748 13.119 21.020 1.00 0.00 WT3 H ATOM 42163 OH2 TIP3 4979 38.674 68.180 65.095 1.00 0.00 WT3 O ATOM 42164 H1 TIP3 4979 38.053 67.588 65.518 1.00 0.00 WT3 H ATOM 42165 H2 TIP3 4979 38.934 67.723 64.295 1.00 0.00 WT3 H ATOM 42166 OH2 TIP3 4980 70.396 22.443 34.388 1.00 0.00 WT3 O ATOM 42167 H1 TIP3 4980 69.946 23.248 34.132 1.00 0.00 WT3 H ATOM 42168 H2 TIP3 4980 70.062 21.779 33.785 1.00 0.00 WT3 H ATOM 42169 OH2 TIP3 4981 80.699 81.528 26.162 1.00 0.00 WT3 O ATOM 42170 H1 TIP3 4981 80.104 82.084 25.658 1.00 0.00 WT3 H ATOM 42171 H2 TIP3 4981 80.187 80.743 26.356 1.00 0.00 WT3 H ATOM 42172 OH2 TIP3 4982 22.442 54.194 56.450 1.00 0.00 WT3 O ATOM 42173 H1 TIP3 4982 21.978 54.471 57.240 1.00 0.00 WT3 H ATOM 42174 H2 TIP3 4982 21.840 53.587 56.018 1.00 0.00 WT3 H ATOM 42175 OH2 TIP3 4983 33.101 8.038 -10.200 1.00 0.00 WT3 O ATOM 42176 H1 TIP3 4983 33.299 7.148 -9.910 1.00 0.00 WT3 H ATOM 42177 H2 TIP3 4983 32.833 7.938 -11.113 1.00 0.00 WT3 H ATOM 42178 OH2 TIP3 4985 58.875 88.178 9.073 1.00 0.00 WT3 O ATOM 42179 H1 TIP3 4985 58.200 88.300 9.740 1.00 0.00 WT3 H ATOM 42180 H2 TIP3 4985 59.515 87.596 9.483 1.00 0.00 WT3 H ATOM 42181 OH2 TIP3 4987 66.633 14.570 52.325 1.00 0.00 WT3 O ATOM 42182 H1 TIP3 4987 65.789 14.558 51.874 1.00 0.00 WT3 H ATOM 42183 H2 TIP3 4987 67.137 13.871 51.908 1.00 0.00 WT3 H ATOM 42184 OH2 TIP3 4989 66.313 92.091 -5.993 1.00 0.00 WT3 O ATOM 42185 H1 TIP3 4989 65.358 92.060 -5.940 1.00 0.00 WT3 H ATOM 42186 H2 TIP3 4989 66.604 92.130 -5.082 1.00 0.00 WT3 H ATOM 42187 OH2 TIP3 4991 21.431 24.473 42.835 1.00 0.00 WT3 O ATOM 42188 H1 TIP3 4991 22.065 24.894 43.415 1.00 0.00 WT3 H ATOM 42189 H2 TIP3 4991 21.308 23.600 43.208 1.00 0.00 WT3 H ATOM 42190 OH2 TIP3 4994 43.355 1.471 38.947 1.00 0.00 WT3 O ATOM 42191 H1 TIP3 4994 42.749 2.061 38.498 1.00 0.00 WT3 H ATOM 42192 H2 TIP3 4994 43.669 1.976 39.698 1.00 0.00 WT3 H ATOM 42193 OH2 TIP3 4995 77.894 60.642 56.836 1.00 0.00 WT3 O ATOM 42194 H1 TIP3 4995 77.447 61.438 57.124 1.00 0.00 WT3 H ATOM 42195 H2 TIP3 4995 77.189 60.013 56.683 1.00 0.00 WT3 H ATOM 42196 OH2 TIP3 4996 40.816 49.216 45.165 1.00 0.00 WT3 O ATOM 42197 H1 TIP3 4996 41.696 48.852 45.260 1.00 0.00 WT3 H ATOM 42198 H2 TIP3 4996 40.934 49.984 44.606 1.00 0.00 WT3 H ATOM 42199 OH2 TIP3 4998 55.682 80.960 45.515 1.00 0.00 WT3 O ATOM 42200 H1 TIP3 4998 55.329 80.777 44.644 1.00 0.00 WT3 H ATOM 42201 H2 TIP3 4998 56.540 80.537 45.519 1.00 0.00 WT3 H ATOM 42202 OH2 TIP3 4999 60.842 11.137 26.398 1.00 0.00 WT3 O ATOM 42203 H1 TIP3 4999 60.578 11.882 26.937 1.00 0.00 WT3 H ATOM 42204 H2 TIP3 4999 60.689 11.425 25.499 1.00 0.00 WT3 H ATOM 42205 OH2 TIP3 5000 49.053 54.028 62.986 1.00 0.00 WT3 O ATOM 42206 H1 TIP3 5000 48.662 53.158 62.904 1.00 0.00 WT3 H ATOM 42207 H2 TIP3 5000 49.018 54.391 62.101 1.00 0.00 WT3 H ATOM 42208 OH2 TIP3 5001 35.278 78.628 28.880 1.00 0.00 WT3 O ATOM 42209 H1 TIP3 5001 35.791 78.558 28.076 1.00 0.00 WT3 H ATOM 42210 H2 TIP3 5001 35.871 79.040 29.509 1.00 0.00 WT3 H ATOM 42211 OH2 TIP3 5002 46.980 15.429 55.074 1.00 0.00 WT3 O ATOM 42212 H1 TIP3 5002 47.048 14.488 55.237 1.00 0.00 WT3 H ATOM 42213 H2 TIP3 5002 47.173 15.526 54.142 1.00 0.00 WT3 H ATOM 42214 OH2 TIP3 5003 37.087 55.153 58.458 1.00 0.00 WT3 O ATOM 42215 H1 TIP3 5003 37.400 54.306 58.141 1.00 0.00 WT3 H ATOM 42216 H2 TIP3 5003 36.479 54.936 59.164 1.00 0.00 WT3 H ATOM 42217 OH2 TIP3 5004 43.881 95.147 -16.563 1.00 0.00 WT3 O ATOM 42218 H1 TIP3 5004 43.389 95.741 -15.997 1.00 0.00 WT3 H ATOM 42219 H2 TIP3 5004 44.431 94.643 -15.963 1.00 0.00 WT3 H ATOM 42220 OH2 TIP3 5005 31.147 89.064 7.569 1.00 0.00 WT3 O ATOM 42221 H1 TIP3 5005 31.907 89.211 8.131 1.00 0.00 WT3 H ATOM 42222 H2 TIP3 5005 30.424 89.495 8.025 1.00 0.00 WT3 H ATOM 42223 OH2 TIP3 5006 69.775 53.562 55.341 1.00 0.00 WT3 O ATOM 42224 H1 TIP3 5006 69.691 54.024 54.507 1.00 0.00 WT3 H ATOM 42225 H2 TIP3 5006 69.862 54.257 55.993 1.00 0.00 WT3 H ATOM 42226 OH2 TIP3 5007 41.656 47.608 -4.181 1.00 0.00 WT3 O ATOM 42227 H1 TIP3 5007 41.869 47.876 -3.287 1.00 0.00 WT3 H ATOM 42228 H2 TIP3 5007 42.506 47.487 -4.603 1.00 0.00 WT3 H ATOM 42229 OH2 TIP3 5008 54.224 2.399 -17.438 1.00 0.00 WT3 O ATOM 42230 H1 TIP3 5008 53.679 1.764 -16.974 1.00 0.00 WT3 H ATOM 42231 H2 TIP3 5008 54.728 2.832 -16.748 1.00 0.00 WT3 H ATOM 42232 OH2 TIP3 5009 40.364 82.204 8.595 1.00 0.00 WT3 O ATOM 42233 H1 TIP3 5009 40.265 81.320 8.243 1.00 0.00 WT3 H ATOM 42234 H2 TIP3 5009 39.914 82.177 9.440 1.00 0.00 WT3 H ATOM 42235 OH2 TIP3 5010 61.700 2.295 -3.851 1.00 0.00 WT3 O ATOM 42236 H1 TIP3 5010 61.603 2.644 -4.738 1.00 0.00 WT3 H ATOM 42237 H2 TIP3 5010 62.120 3.001 -3.360 1.00 0.00 WT3 H ATOM 42238 OH2 TIP3 5011 32.242 31.887 35.924 1.00 0.00 WT3 O ATOM 42239 H1 TIP3 5011 32.516 31.904 36.841 1.00 0.00 WT3 H ATOM 42240 H2 TIP3 5011 32.901 32.411 35.467 1.00 0.00 WT3 H ATOM 42241 OH2 TIP3 5012 21.667 45.807 25.943 1.00 0.00 WT3 O ATOM 42242 H1 TIP3 5012 21.010 46.030 26.603 1.00 0.00 WT3 H ATOM 42243 H2 TIP3 5012 21.167 45.701 25.134 1.00 0.00 WT3 H ATOM 42244 OH2 TIP3 5013 35.364 43.366 42.019 1.00 0.00 WT3 O ATOM 42245 H1 TIP3 5013 35.190 44.071 42.643 1.00 0.00 WT3 H ATOM 42246 H2 TIP3 5013 34.585 42.811 42.061 1.00 0.00 WT3 H ATOM 42247 OH2 TIP3 5014 75.923 77.732 40.527 1.00 0.00 WT3 O ATOM 42248 H1 TIP3 5014 76.402 77.057 41.008 1.00 0.00 WT3 H ATOM 42249 H2 TIP3 5014 75.607 77.287 39.741 1.00 0.00 WT3 H ATOM 42250 OH2 TIP3 5015 88.829 33.110 25.766 1.00 0.00 WT3 O ATOM 42251 H1 TIP3 5015 89.664 32.787 26.105 1.00 0.00 WT3 H ATOM 42252 H2 TIP3 5015 88.170 32.717 26.337 1.00 0.00 WT3 H ATOM 42253 OH2 TIP3 5016 64.164 55.995 62.583 1.00 0.00 WT3 O ATOM 42254 H1 TIP3 5016 64.740 55.608 61.924 1.00 0.00 WT3 H ATOM 42255 H2 TIP3 5016 63.372 56.231 62.102 1.00 0.00 WT3 H ATOM 42256 OH2 TIP3 5017 45.089 31.596 65.671 1.00 0.00 WT3 O ATOM 42257 H1 TIP3 5017 44.223 31.190 65.623 1.00 0.00 WT3 H ATOM 42258 H2 TIP3 5017 44.941 32.422 66.131 1.00 0.00 WT3 H ATOM 42259 OH2 TIP3 5018 52.225 11.295 25.246 1.00 0.00 WT3 O ATOM 42260 H1 TIP3 5018 53.071 11.641 25.530 1.00 0.00 WT3 H ATOM 42261 H2 TIP3 5018 51.948 11.883 24.543 1.00 0.00 WT3 H ATOM 42262 OH2 TIP3 5019 87.927 52.356 13.028 1.00 0.00 WT3 O ATOM 42263 H1 TIP3 5019 88.861 52.152 13.083 1.00 0.00 WT3 H ATOM 42264 H2 TIP3 5019 87.500 51.504 12.942 1.00 0.00 WT3 H ATOM 42265 OH2 TIP3 5020 64.387 38.938 35.505 1.00 0.00 WT3 O ATOM 42266 H1 TIP3 5020 63.448 38.823 35.360 1.00 0.00 WT3 H ATOM 42267 H2 TIP3 5020 64.567 39.832 35.211 1.00 0.00 WT3 H ATOM 42268 OH2 TIP3 5021 82.131 35.258 -5.202 1.00 0.00 WT3 O ATOM 42269 H1 TIP3 5021 81.280 35.313 -4.767 1.00 0.00 WT3 H ATOM 42270 H2 TIP3 5021 82.762 35.501 -4.525 1.00 0.00 WT3 H ATOM 42271 OH2 TIP3 5022 27.908 18.075 61.850 1.00 0.00 WT3 O ATOM 42272 H1 TIP3 5022 28.686 17.651 62.211 1.00 0.00 WT3 H ATOM 42273 H2 TIP3 5022 27.198 17.815 62.436 1.00 0.00 WT3 H ATOM 42274 OH2 TIP3 5023 57.383 88.235 -14.986 1.00 0.00 WT3 O ATOM 42275 H1 TIP3 5023 56.627 87.863 -15.440 1.00 0.00 WT3 H ATOM 42276 H2 TIP3 5023 58.027 87.527 -14.971 1.00 0.00 WT3 H ATOM 42277 OH2 TIP3 5024 22.639 2.445 5.464 1.00 0.00 WT3 O ATOM 42278 H1 TIP3 5024 22.165 2.471 6.295 1.00 0.00 WT3 H ATOM 42279 H2 TIP3 5024 22.083 1.923 4.886 1.00 0.00 WT3 H ATOM 42280 OH2 TIP3 5025 77.497 95.118 1.821 1.00 0.00 WT3 O ATOM 42281 H1 TIP3 5025 76.757 94.733 1.352 1.00 0.00 WT3 H ATOM 42282 H2 TIP3 5025 77.096 95.637 2.518 1.00 0.00 WT3 H ATOM 42283 OH2 TIP3 5027 75.187 62.265 5.428 1.00 0.00 WT3 O ATOM 42284 H1 TIP3 5027 75.305 62.362 6.372 1.00 0.00 WT3 H ATOM 42285 H2 TIP3 5027 75.243 63.158 5.086 1.00 0.00 WT3 H ATOM 42286 OH2 TIP3 5031 63.858 70.242 47.666 1.00 0.00 WT3 O ATOM 42287 H1 TIP3 5031 64.327 69.743 48.335 1.00 0.00 WT3 H ATOM 42288 H2 TIP3 5031 64.025 69.768 46.852 1.00 0.00 WT3 H ATOM 42289 OH2 TIP3 5033 56.213 5.260 31.144 1.00 0.00 WT3 O ATOM 42290 H1 TIP3 5033 56.318 5.400 30.203 1.00 0.00 WT3 H ATOM 42291 H2 TIP3 5033 56.373 6.119 31.534 1.00 0.00 WT3 H ATOM 42292 OH2 TIP3 5034 67.929 11.432 46.539 1.00 0.00 WT3 O ATOM 42293 H1 TIP3 5034 67.201 11.134 47.084 1.00 0.00 WT3 H ATOM 42294 H2 TIP3 5034 68.059 10.726 45.906 1.00 0.00 WT3 H ATOM 42295 OH2 TIP3 5039 35.965 76.732 15.329 1.00 0.00 WT3 O ATOM 42296 H1 TIP3 5039 36.110 76.021 15.953 1.00 0.00 WT3 H ATOM 42297 H2 TIP3 5039 35.042 76.656 15.089 1.00 0.00 WT3 H ATOM 42298 OH2 TIP3 5041 70.489 85.706 28.696 1.00 0.00 WT3 O ATOM 42299 H1 TIP3 5041 71.196 85.305 28.190 1.00 0.00 WT3 H ATOM 42300 H2 TIP3 5041 69.717 85.179 28.488 1.00 0.00 WT3 H ATOM 42301 OH2 TIP3 5043 65.312 88.016 20.032 1.00 0.00 WT3 O ATOM 42302 H1 TIP3 5043 65.081 87.313 20.639 1.00 0.00 WT3 H ATOM 42303 H2 TIP3 5043 65.577 87.565 19.231 1.00 0.00 WT3 H ATOM 42304 OH2 TIP3 5044 25.278 54.169 2.713 1.00 0.00 WT3 O ATOM 42305 H1 TIP3 5044 25.581 53.635 3.447 1.00 0.00 WT3 H ATOM 42306 H2 TIP3 5044 25.008 54.996 3.112 1.00 0.00 WT3 H ATOM 42307 OH2 TIP3 5046 72.653 80.634 2.188 1.00 0.00 WT3 O ATOM 42308 H1 TIP3 5046 71.712 80.630 2.016 1.00 0.00 WT3 H ATOM 42309 H2 TIP3 5046 73.043 80.977 1.384 1.00 0.00 WT3 H ATOM 42310 OH2 TIP3 5047 65.935 79.135 -18.036 1.00 0.00 WT3 O ATOM 42311 H1 TIP3 5047 65.079 78.752 -17.843 1.00 0.00 WT3 H ATOM 42312 H2 TIP3 5047 65.922 79.985 -17.595 1.00 0.00 WT3 H ATOM 42313 OH2 TIP3 5048 76.685 54.510 48.882 1.00 0.00 WT3 O ATOM 42314 H1 TIP3 5048 76.034 53.999 48.400 1.00 0.00 WT3 H ATOM 42315 H2 TIP3 5048 76.689 54.126 49.759 1.00 0.00 WT3 H ATOM 42316 OH2 TIP3 5049 76.606 78.076 3.757 1.00 0.00 WT3 O ATOM 42317 H1 TIP3 5049 77.233 78.692 4.135 1.00 0.00 WT3 H ATOM 42318 H2 TIP3 5049 76.544 77.371 4.401 1.00 0.00 WT3 H ATOM 42319 OH2 TIP3 5051 44.981 20.904 65.725 1.00 0.00 WT3 O ATOM 42320 H1 TIP3 5051 45.880 21.121 65.973 1.00 0.00 WT3 H ATOM 42321 H2 TIP3 5051 44.724 21.602 65.122 1.00 0.00 WT3 H ATOM 42322 OH2 TIP3 5052 83.600 69.372 12.305 1.00 0.00 WT3 O ATOM 42323 H1 TIP3 5052 83.864 68.896 11.518 1.00 0.00 WT3 H ATOM 42324 H2 TIP3 5052 83.421 68.689 12.951 1.00 0.00 WT3 H ATOM 42325 OH2 TIP3 5056 84.102 74.151 29.409 1.00 0.00 WT3 O ATOM 42326 H1 TIP3 5056 84.549 73.496 29.947 1.00 0.00 WT3 H ATOM 42327 H2 TIP3 5056 83.213 74.184 29.761 1.00 0.00 WT3 H ATOM 42328 OH2 TIP3 5058 66.668 8.225 55.438 1.00 0.00 WT3 O ATOM 42329 H1 TIP3 5058 66.591 9.031 55.949 1.00 0.00 WT3 H ATOM 42330 H2 TIP3 5058 67.497 7.840 55.720 1.00 0.00 WT3 H ATOM 42331 OH2 TIP3 5059 74.629 87.253 4.268 1.00 0.00 WT3 O ATOM 42332 H1 TIP3 5059 74.027 87.995 4.210 1.00 0.00 WT3 H ATOM 42333 H2 TIP3 5059 74.062 86.483 4.273 1.00 0.00 WT3 H ATOM 42334 OH2 TIP3 5060 26.581 33.352 52.284 1.00 0.00 WT3 O ATOM 42335 H1 TIP3 5060 26.801 34.218 51.942 1.00 0.00 WT3 H ATOM 42336 H2 TIP3 5060 26.448 32.812 51.505 1.00 0.00 WT3 H ATOM 42337 OH2 TIP3 5061 84.258 70.478 -7.880 1.00 0.00 WT3 O ATOM 42338 H1 TIP3 5061 84.535 69.562 -7.874 1.00 0.00 WT3 H ATOM 42339 H2 TIP3 5061 83.825 70.603 -7.036 1.00 0.00 WT3 H ATOM 42340 OH2 TIP3 5063 24.885 34.084 5.839 1.00 0.00 WT3 O ATOM 42341 H1 TIP3 5063 24.920 33.761 6.740 1.00 0.00 WT3 H ATOM 42342 H2 TIP3 5063 25.706 34.562 5.723 1.00 0.00 WT3 H ATOM 42343 OH2 TIP3 5066 35.464 87.575 -11.106 1.00 0.00 WT3 O ATOM 42344 H1 TIP3 5066 35.933 87.564 -10.271 1.00 0.00 WT3 H ATOM 42345 H2 TIP3 5066 36.130 87.361 -11.759 1.00 0.00 WT3 H ATOM 42346 OH2 TIP3 5074 53.952 91.266 52.254 1.00 0.00 WT3 O ATOM 42347 H1 TIP3 5074 53.223 90.821 52.686 1.00 0.00 WT3 H ATOM 42348 H2 TIP3 5074 53.535 91.851 51.621 1.00 0.00 WT3 H ATOM 42349 OH2 TIP3 5076 48.337 10.936 25.460 1.00 0.00 WT3 O ATOM 42350 H1 TIP3 5076 48.188 11.655 24.846 1.00 0.00 WT3 H ATOM 42351 H2 TIP3 5076 48.801 10.275 24.946 1.00 0.00 WT3 H ATOM 42352 OH2 TIP3 5077 23.718 0.204 20.724 1.00 0.00 WT3 O ATOM 42353 H1 TIP3 5077 23.849 -0.313 21.520 1.00 0.00 WT3 H ATOM 42354 H2 TIP3 5077 22.770 0.210 20.595 1.00 0.00 WT3 H ATOM 42355 OH2 TIP3 5080 84.918 11.301 -0.003 1.00 0.00 WT3 O ATOM 42356 H1 TIP3 5080 85.063 11.978 0.658 1.00 0.00 WT3 H ATOM 42357 H2 TIP3 5080 84.087 11.541 -0.413 1.00 0.00 WT3 H ATOM 42358 OH2 TIP3 5084 35.195 54.887 63.061 1.00 0.00 WT3 O ATOM 42359 H1 TIP3 5084 35.049 55.035 63.996 1.00 0.00 WT3 H ATOM 42360 H2 TIP3 5084 34.489 54.297 62.799 1.00 0.00 WT3 H ATOM 42361 OH2 TIP3 5085 34.587 1.656 56.162 1.00 0.00 WT3 O ATOM 42362 H1 TIP3 5085 34.415 1.926 57.064 1.00 0.00 WT3 H ATOM 42363 H2 TIP3 5085 34.369 0.724 56.144 1.00 0.00 WT3 H ATOM 42364 OH2 TIP3 5088 35.994 28.099 -16.825 1.00 0.00 WT3 O ATOM 42365 H1 TIP3 5088 35.802 27.914 -15.906 1.00 0.00 WT3 H ATOM 42366 H2 TIP3 5088 35.393 28.807 -17.058 1.00 0.00 WT3 H ATOM 42367 OH2 TIP3 5092 86.630 86.730 -15.123 1.00 0.00 WT3 O ATOM 42368 H1 TIP3 5092 85.813 86.238 -15.038 1.00 0.00 WT3 H ATOM 42369 H2 TIP3 5092 87.244 86.277 -14.546 1.00 0.00 WT3 H ATOM 42370 OH2 TIP3 5094 58.381 93.418 55.415 1.00 0.00 WT3 O ATOM 42371 H1 TIP3 5094 59.335 93.423 55.346 1.00 0.00 WT3 H ATOM 42372 H2 TIP3 5094 58.075 93.464 54.509 1.00 0.00 WT3 H ATOM 42373 OH2 TIP3 5098 30.541 82.526 29.153 1.00 0.00 WT3 O ATOM 42374 H1 TIP3 5098 30.176 83.369 28.882 1.00 0.00 WT3 H ATOM 42375 H2 TIP3 5098 30.163 81.893 28.543 1.00 0.00 WT3 H ATOM 42376 OH2 TIP3 5105 55.174 84.665 -4.143 1.00 0.00 WT3 O ATOM 42377 H1 TIP3 5105 55.069 84.236 -4.992 1.00 0.00 WT3 H ATOM 42378 H2 TIP3 5105 55.054 85.597 -4.328 1.00 0.00 WT3 H ATOM 42379 OH2 TIP3 5114 71.992 29.358 -0.609 1.00 0.00 WT3 O ATOM 42380 H1 TIP3 5114 72.275 29.877 0.144 1.00 0.00 WT3 H ATOM 42381 H2 TIP3 5114 71.112 29.061 -0.379 1.00 0.00 WT3 H ATOM 42382 OH2 TIP3 5115 45.514 4.756 38.431 1.00 0.00 WT3 O ATOM 42383 H1 TIP3 5115 45.677 5.422 37.763 1.00 0.00 WT3 H ATOM 42384 H2 TIP3 5115 45.930 3.965 38.088 1.00 0.00 WT3 H ATOM 42385 OH2 TIP3 5116 80.353 34.983 26.170 1.00 0.00 WT3 O ATOM 42386 H1 TIP3 5116 81.168 35.406 25.899 1.00 0.00 WT3 H ATOM 42387 H2 TIP3 5116 79.699 35.303 25.548 1.00 0.00 WT3 H ATOM 42388 OH2 TIP3 5118 66.970 31.806 -8.482 1.00 0.00 WT3 O ATOM 42389 H1 TIP3 5118 66.254 32.427 -8.346 1.00 0.00 WT3 H ATOM 42390 H2 TIP3 5118 67.740 32.243 -8.118 1.00 0.00 WT3 H ATOM 42391 OH2 TIP3 5124 55.664 16.852 -7.285 1.00 0.00 WT3 O ATOM 42392 H1 TIP3 5124 56.305 16.185 -7.530 1.00 0.00 WT3 H ATOM 42393 H2 TIP3 5124 55.840 17.584 -7.877 1.00 0.00 WT3 H ATOM 42394 OH2 TIP3 5133 37.339 8.527 47.956 1.00 0.00 WT3 O ATOM 42395 H1 TIP3 5133 37.103 8.273 48.848 1.00 0.00 WT3 H ATOM 42396 H2 TIP3 5133 37.649 7.718 47.550 1.00 0.00 WT3 H ATOM 42397 OH2 TIP3 5134 40.652 60.926 8.455 1.00 0.00 WT3 O ATOM 42398 H1 TIP3 5134 41.399 60.851 9.049 1.00 0.00 WT3 H ATOM 42399 H2 TIP3 5134 40.639 60.096 7.979 1.00 0.00 WT3 H ATOM 42400 OH2 TIP3 5164 41.741 77.404 19.955 1.00 0.00 WT3 O ATOM 42401 H1 TIP3 5164 41.510 76.602 20.424 1.00 0.00 WT3 H ATOM 42402 H2 TIP3 5164 42.425 77.806 20.490 1.00 0.00 WT3 H ATOM 42403 OH2 TIP3 5166 72.617 75.898 59.519 1.00 0.00 WT3 O ATOM 42404 H1 TIP3 5166 71.799 75.874 59.023 1.00 0.00 WT3 H ATOM 42405 H2 TIP3 5166 73.078 75.101 59.259 1.00 0.00 WT3 H ATOM 42406 OH2 TIP3 5193 34.336 84.351 22.934 1.00 0.00 WT3 O ATOM 42407 H1 TIP3 5193 34.607 84.468 22.023 1.00 0.00 WT3 H ATOM 42408 H2 TIP3 5193 34.067 83.434 22.988 1.00 0.00 WT3 H ATOM 42409 OH2 TIP3 5195 41.537 53.209 6.183 1.00 0.00 WT3 O ATOM 42410 H1 TIP3 5195 42.217 52.537 6.230 1.00 0.00 WT3 H ATOM 42411 H2 TIP3 5195 41.127 53.197 7.048 1.00 0.00 WT3 H ATOM 42412 OH2 TIP3 5234 77.763 63.094 1.397 1.00 0.00 WT3 O ATOM 42413 H1 TIP3 5234 77.260 62.593 0.754 1.00 0.00 WT3 H ATOM 42414 H2 TIP3 5234 78.502 62.528 1.617 1.00 0.00 WT3 H ATOM 42415 OH2 TIP3 5251 30.709 82.361 -6.968 1.00 0.00 WT3 O ATOM 42416 H1 TIP3 5251 30.326 82.989 -6.356 1.00 0.00 WT3 H ATOM 42417 H2 TIP3 5251 30.321 81.521 -6.722 1.00 0.00 WT3 H ATOM 42418 OH2 TIP3 5252 84.150 6.055 49.725 1.00 0.00 WT3 O ATOM 42419 H1 TIP3 5252 84.752 5.806 49.023 1.00 0.00 WT3 H ATOM 42420 H2 TIP3 5252 83.344 6.305 49.272 1.00 0.00 WT3 H ATOM 42421 OH2 TIP3 5259 76.161 9.779 46.093 1.00 0.00 WT3 O ATOM 42422 H1 TIP3 5259 75.747 10.627 46.255 1.00 0.00 WT3 H ATOM 42423 H2 TIP3 5259 76.725 9.928 45.335 1.00 0.00 WT3 H ATOM 42424 OH2 TIP3 5271 21.244 15.992 6.678 1.00 0.00 WT3 O ATOM 42425 H1 TIP3 5271 21.482 16.381 5.836 1.00 0.00 WT3 H ATOM 42426 H2 TIP3 5271 20.480 16.491 6.966 1.00 0.00 WT3 H ATOM 42427 OH2 TIP3 5272 87.426 36.506 47.361 1.00 0.00 WT3 O ATOM 42428 H1 TIP3 5272 88.237 36.098 47.666 1.00 0.00 WT3 H ATOM 42429 H2 TIP3 5272 87.561 37.443 47.501 1.00 0.00 WT3 H ATOM 42430 OH2 TIP3 5284 63.063 73.406 15.007 1.00 0.00 WT3 O ATOM 42431 H1 TIP3 5284 62.203 73.204 14.640 1.00 0.00 WT3 H ATOM 42432 H2 TIP3 5284 63.657 72.785 14.585 1.00 0.00 WT3 H ATOM 42433 OH2 TIP3 5286 89.913 76.790 33.989 1.00 0.00 WT3 O ATOM 42434 H1 TIP3 5286 90.240 77.250 34.762 1.00 0.00 WT3 H ATOM 42435 H2 TIP3 5286 90.675 76.713 33.415 1.00 0.00 WT3 H ATOM 42436 OH2 TIP3 5296 75.624 53.602 46.493 1.00 0.00 WT3 O ATOM 42437 H1 TIP3 5296 75.888 53.542 45.575 1.00 0.00 WT3 H ATOM 42438 H2 TIP3 5296 74.859 54.177 46.485 1.00 0.00 WT3 H ATOM 42439 OH2 TIP3 5302 32.965 2.218 5.802 1.00 0.00 WT3 O ATOM 42440 H1 TIP3 5302 32.577 2.749 5.107 1.00 0.00 WT3 H ATOM 42441 H2 TIP3 5302 32.292 2.182 6.482 1.00 0.00 WT3 H ATOM 42442 OH2 TIP3 5304 53.120 42.076 -15.215 1.00 0.00 WT3 O ATOM 42443 H1 TIP3 5304 53.896 42.508 -14.859 1.00 0.00 WT3 H ATOM 42444 H2 TIP3 5304 52.604 42.786 -15.597 1.00 0.00 WT3 H ATOM 42445 OH2 TIP3 5306 62.309 56.690 18.686 1.00 0.00 WT3 O ATOM 42446 H1 TIP3 5306 62.276 55.807 18.319 1.00 0.00 WT3 H ATOM 42447 H2 TIP3 5306 61.395 56.975 18.706 1.00 0.00 WT3 H ATOM 42448 OH2 TIP3 5309 70.146 67.055 32.241 1.00 0.00 WT3 O ATOM 42449 H1 TIP3 5309 70.798 66.401 31.987 1.00 0.00 WT3 H ATOM 42450 H2 TIP3 5309 69.453 66.550 32.665 1.00 0.00 WT3 H ATOM 42451 OH2 TIP3 5314 56.302 81.446 55.397 1.00 0.00 WT3 O ATOM 42452 H1 TIP3 5314 55.391 81.736 55.448 1.00 0.00 WT3 H ATOM 42453 H2 TIP3 5314 56.244 80.502 55.246 1.00 0.00 WT3 H ATOM 42454 OH2 TIP3 5317 82.758 24.501 55.679 1.00 0.00 WT3 O ATOM 42455 H1 TIP3 5317 82.101 25.033 55.229 1.00 0.00 WT3 H ATOM 42456 H2 TIP3 5317 82.719 23.651 55.242 1.00 0.00 WT3 H ATOM 42457 OH2 TIP3 5318 55.764 95.481 23.675 1.00 0.00 WT3 O ATOM 42458 H1 TIP3 5318 56.092 94.736 24.178 1.00 0.00 WT3 H ATOM 42459 H2 TIP3 5318 55.992 95.278 22.768 1.00 0.00 WT3 H ATOM 42460 OH2 TIP3 5319 69.745 63.040 -2.726 1.00 0.00 WT3 O ATOM 42461 H1 TIP3 5319 68.845 62.832 -2.473 1.00 0.00 WT3 H ATOM 42462 H2 TIP3 5319 70.012 62.311 -3.285 1.00 0.00 WT3 H ATOM 42463 OH2 TIP3 5320 30.923 58.737 -17.171 1.00 0.00 WT3 O ATOM 42464 H1 TIP3 5320 30.535 58.632 -16.303 1.00 0.00 WT3 H ATOM 42465 H2 TIP3 5320 31.171 59.661 -17.213 1.00 0.00 WT3 H ATOM 42466 OH2 TIP3 5323 21.729 49.756 11.657 1.00 0.00 WT3 O ATOM 42467 H1 TIP3 5323 22.362 49.450 11.007 1.00 0.00 WT3 H ATOM 42468 H2 TIP3 5323 22.261 50.175 12.333 1.00 0.00 WT3 H ATOM 42469 OH2 TIP3 5328 47.207 22.199 48.509 1.00 0.00 WT3 O ATOM 42470 H1 TIP3 5328 47.731 23.000 48.503 1.00 0.00 WT3 H ATOM 42471 H2 TIP3 5328 47.761 21.548 48.077 1.00 0.00 WT3 H ATOM 42472 OH2 TIP3 5331 73.002 58.875 39.611 1.00 0.00 WT3 O ATOM 42473 H1 TIP3 5331 72.791 59.143 38.717 1.00 0.00 WT3 H ATOM 42474 H2 TIP3 5331 72.440 59.417 40.164 1.00 0.00 WT3 H ATOM 42475 OH2 TIP3 5332 72.537 79.938 47.013 1.00 0.00 WT3 O ATOM 42476 H1 TIP3 5332 72.928 79.507 46.253 1.00 0.00 WT3 H ATOM 42477 H2 TIP3 5332 71.686 79.513 47.119 1.00 0.00 WT3 H ATOM 42478 OH2 TIP3 5334 63.242 70.375 16.887 1.00 0.00 WT3 O ATOM 42479 H1 TIP3 5334 62.722 69.916 17.547 1.00 0.00 WT3 H ATOM 42480 H2 TIP3 5334 63.095 69.880 16.081 1.00 0.00 WT3 H ATOM 42481 OH2 TIP3 5338 48.258 58.381 52.383 1.00 0.00 WT3 O ATOM 42482 H1 TIP3 5338 47.819 59.164 52.717 1.00 0.00 WT3 H ATOM 42483 H2 TIP3 5338 48.067 58.381 51.445 1.00 0.00 WT3 H ATOM 42484 OH2 TIP3 5341 25.672 88.374 48.792 1.00 0.00 WT3 O ATOM 42485 H1 TIP3 5341 25.676 88.001 47.910 1.00 0.00 WT3 H ATOM 42486 H2 TIP3 5341 26.591 88.571 48.973 1.00 0.00 WT3 H ATOM 42487 OH2 TIP3 5350 47.250 43.100 13.055 1.00 0.00 WT3 O ATOM 42488 H1 TIP3 5350 46.462 43.641 13.094 1.00 0.00 WT3 H ATOM 42489 H2 TIP3 5350 47.141 42.467 13.765 1.00 0.00 WT3 H ATOM 42490 OH2 TIP3 5351 70.015 69.816 -5.702 1.00 0.00 WT3 O ATOM 42491 H1 TIP3 5351 70.415 69.040 -6.094 1.00 0.00 WT3 H ATOM 42492 H2 TIP3 5351 70.107 69.683 -4.758 1.00 0.00 WT3 H ATOM 42493 OH2 TIP3 5354 26.097 83.229 42.185 1.00 0.00 WT3 O ATOM 42494 H1 TIP3 5354 26.071 82.415 42.688 1.00 0.00 WT3 H ATOM 42495 H2 TIP3 5354 25.184 83.517 42.146 1.00 0.00 WT3 H ATOM 42496 OH2 TIP3 5355 41.065 24.642 -1.895 1.00 0.00 WT3 O ATOM 42497 H1 TIP3 5355 41.318 23.858 -1.407 1.00 0.00 WT3 H ATOM 42498 H2 TIP3 5355 41.888 24.982 -2.246 1.00 0.00 WT3 H ATOM 42499 OH2 TIP3 5356 51.860 43.455 54.638 1.00 0.00 WT3 O ATOM 42500 H1 TIP3 5356 51.648 44.016 55.384 1.00 0.00 WT3 H ATOM 42501 H2 TIP3 5356 51.014 43.266 54.232 1.00 0.00 WT3 H ATOM 42502 OH2 TIP3 5357 32.669 71.923 8.977 1.00 0.00 WT3 O ATOM 42503 H1 TIP3 5357 32.193 72.722 9.202 1.00 0.00 WT3 H ATOM 42504 H2 TIP3 5357 32.998 71.595 9.814 1.00 0.00 WT3 H ATOM 42505 OH2 TIP3 5358 23.255 38.338 -14.986 1.00 0.00 WT3 O ATOM 42506 H1 TIP3 5358 23.541 37.424 -14.984 1.00 0.00 WT3 H ATOM 42507 H2 TIP3 5358 22.802 38.449 -14.150 1.00 0.00 WT3 H ATOM 42508 OH2 TIP3 5359 55.589 18.606 -13.788 1.00 0.00 WT3 O ATOM 42509 H1 TIP3 5359 55.677 18.683 -12.838 1.00 0.00 WT3 H ATOM 42510 H2 TIP3 5359 56.267 19.183 -14.139 1.00 0.00 WT3 H ATOM 42511 OH2 TIP3 5360 42.939 85.660 24.085 1.00 0.00 WT3 O ATOM 42512 H1 TIP3 5360 42.027 85.823 24.323 1.00 0.00 WT3 H ATOM 42513 H2 TIP3 5360 43.013 84.706 24.058 1.00 0.00 WT3 H ATOM 42514 OH2 TIP3 5363 31.919 26.856 51.976 1.00 0.00 WT3 O ATOM 42515 H1 TIP3 5363 32.212 26.556 51.115 1.00 0.00 WT3 H ATOM 42516 H2 TIP3 5363 30.993 26.614 52.011 1.00 0.00 WT3 H ATOM 42517 OH2 TIP3 5364 66.067 3.266 55.993 1.00 0.00 WT3 O ATOM 42518 H1 TIP3 5364 67.008 3.367 56.134 1.00 0.00 WT3 H ATOM 42519 H2 TIP3 5364 65.995 2.588 55.322 1.00 0.00 WT3 H ATOM 42520 OH2 TIP3 5369 57.136 63.092 -19.620 1.00 0.00 WT3 O ATOM 42521 H1 TIP3 5369 56.351 63.589 -19.389 1.00 0.00 WT3 H ATOM 42522 H2 TIP3 5369 56.864 62.539 -20.352 1.00 0.00 WT3 H ATOM 42523 OH2 TIP3 5370 86.598 83.414 2.445 1.00 0.00 WT3 O ATOM 42524 H1 TIP3 5370 87.139 83.288 1.666 1.00 0.00 WT3 H ATOM 42525 H2 TIP3 5370 86.408 82.527 2.751 1.00 0.00 WT3 H ATOM 42526 OH2 TIP3 5371 66.511 63.671 32.658 1.00 0.00 WT3 O ATOM 42527 H1 TIP3 5371 66.229 63.203 31.871 1.00 0.00 WT3 H ATOM 42528 H2 TIP3 5371 65.750 64.191 32.913 1.00 0.00 WT3 H ATOM 42529 OH2 TIP3 5372 41.732 66.253 45.954 1.00 0.00 WT3 O ATOM 42530 H1 TIP3 5372 41.900 66.861 45.234 1.00 0.00 WT3 H ATOM 42531 H2 TIP3 5372 40.814 66.398 46.181 1.00 0.00 WT3 H ATOM 42532 OH2 TIP3 5374 36.298 84.187 56.630 1.00 0.00 WT3 O ATOM 42533 H1 TIP3 5374 35.746 84.969 56.631 1.00 0.00 WT3 H ATOM 42534 H2 TIP3 5374 35.755 83.511 56.224 1.00 0.00 WT3 H ATOM 42535 OH2 TIP3 5375 36.381 52.692 -8.958 1.00 0.00 WT3 O ATOM 42536 H1 TIP3 5375 35.617 52.115 -8.952 1.00 0.00 WT3 H ATOM 42537 H2 TIP3 5375 36.038 53.542 -9.232 1.00 0.00 WT3 H ATOM 42538 OH2 TIP3 5376 38.896 9.475 26.321 1.00 0.00 WT3 O ATOM 42539 H1 TIP3 5376 39.287 10.248 25.913 1.00 0.00 WT3 H ATOM 42540 H2 TIP3 5376 39.397 9.350 27.127 1.00 0.00 WT3 H ATOM 42541 OH2 TIP3 5377 39.561 72.844 59.612 1.00 0.00 WT3 O ATOM 42542 H1 TIP3 5377 39.571 72.623 60.543 1.00 0.00 WT3 H ATOM 42543 H2 TIP3 5377 39.944 73.720 59.570 1.00 0.00 WT3 H ATOM 42544 OH2 TIP3 5378 39.891 58.122 4.514 1.00 0.00 WT3 O ATOM 42545 H1 TIP3 5378 40.562 57.442 4.579 1.00 0.00 WT3 H ATOM 42546 H2 TIP3 5378 39.805 58.460 5.405 1.00 0.00 WT3 H ATOM 42547 OH2 TIP3 5379 82.192 73.054 -11.046 1.00 0.00 WT3 O ATOM 42548 H1 TIP3 5379 82.419 73.978 -11.146 1.00 0.00 WT3 H ATOM 42549 H2 TIP3 5379 82.003 72.954 -10.113 1.00 0.00 WT3 H ATOM 42550 OH2 TIP3 5380 51.790 79.356 -3.352 1.00 0.00 WT3 O ATOM 42551 H1 TIP3 5380 51.181 78.809 -3.849 1.00 0.00 WT3 H ATOM 42552 H2 TIP3 5380 52.615 78.870 -3.366 1.00 0.00 WT3 H ATOM 42553 OH2 TIP3 5381 44.783 46.270 -10.578 1.00 0.00 WT3 O ATOM 42554 H1 TIP3 5381 44.575 46.270 -11.512 1.00 0.00 WT3 H ATOM 42555 H2 TIP3 5381 45.243 47.096 -10.434 1.00 0.00 WT3 H ATOM 42556 OH2 TIP3 5382 67.008 7.092 61.087 1.00 0.00 WT3 O ATOM 42557 H1 TIP3 5382 66.256 6.817 60.562 1.00 0.00 WT3 H ATOM 42558 H2 TIP3 5382 67.770 6.816 60.579 1.00 0.00 WT3 H ATOM 42559 OH2 TIP3 5383 45.627 52.677 7.581 1.00 0.00 WT3 O ATOM 42560 H1 TIP3 5383 46.101 52.885 6.776 1.00 0.00 WT3 H ATOM 42561 H2 TIP3 5383 46.312 52.543 8.236 1.00 0.00 WT3 H ATOM 42562 OH2 TIP3 5384 70.553 59.859 -13.411 1.00 0.00 WT3 O ATOM 42563 H1 TIP3 5384 69.660 59.939 -13.745 1.00 0.00 WT3 H ATOM 42564 H2 TIP3 5384 70.875 59.037 -13.780 1.00 0.00 WT3 H ATOM 42565 OH2 TIP3 5385 32.541 53.983 57.540 1.00 0.00 WT3 O ATOM 42566 H1 TIP3 5385 32.538 53.800 56.601 1.00 0.00 WT3 H ATOM 42567 H2 TIP3 5385 31.615 54.004 57.783 1.00 0.00 WT3 H ATOM 42568 OH2 TIP3 5388 56.262 80.351 48.658 1.00 0.00 WT3 O ATOM 42569 H1 TIP3 5388 55.493 79.802 48.510 1.00 0.00 WT3 H ATOM 42570 H2 TIP3 5388 55.940 81.247 48.556 1.00 0.00 WT3 H ATOM 42571 OH2 TIP3 5389 39.327 55.105 31.928 1.00 0.00 WT3 O ATOM 42572 H1 TIP3 5389 38.630 54.584 31.528 1.00 0.00 WT3 H ATOM 42573 H2 TIP3 5389 39.254 55.963 31.509 1.00 0.00 WT3 H ATOM 42574 OH2 TIP3 5390 32.916 66.995 57.900 1.00 0.00 WT3 O ATOM 42575 H1 TIP3 5390 32.565 66.346 57.290 1.00 0.00 WT3 H ATOM 42576 H2 TIP3 5390 32.238 67.087 58.569 1.00 0.00 WT3 H ATOM 42577 OH2 TIP3 5392 85.522 15.075 40.133 1.00 0.00 WT3 O ATOM 42578 H1 TIP3 5392 85.610 14.878 41.066 1.00 0.00 WT3 H ATOM 42579 H2 TIP3 5392 86.420 15.073 39.801 1.00 0.00 WT3 H ATOM 42580 OH2 TIP3 5393 84.729 7.465 -15.340 1.00 0.00 WT3 O ATOM 42581 H1 TIP3 5393 83.845 7.740 -15.582 1.00 0.00 WT3 H ATOM 42582 H2 TIP3 5393 85.281 8.218 -15.552 1.00 0.00 WT3 H ATOM 42583 OH2 TIP3 5394 58.374 79.103 -5.715 1.00 0.00 WT3 O ATOM 42584 H1 TIP3 5394 59.024 79.776 -5.512 1.00 0.00 WT3 H ATOM 42585 H2 TIP3 5394 58.211 78.667 -4.878 1.00 0.00 WT3 H ATOM 42586 OH2 TIP3 5396 75.812 96.157 3.846 1.00 0.00 WT3 O ATOM 42587 H1 TIP3 5396 74.885 96.139 3.607 1.00 0.00 WT3 H ATOM 42588 H2 TIP3 5396 75.817 96.026 4.795 1.00 0.00 WT3 H ATOM 42589 OH2 TIP3 5397 55.663 46.584 58.825 1.00 0.00 WT3 O ATOM 42590 H1 TIP3 5397 55.690 47.491 58.522 1.00 0.00 WT3 H ATOM 42591 H2 TIP3 5397 55.719 46.647 59.778 1.00 0.00 WT3 H ATOM 42592 OH2 TIP3 5398 36.579 83.100 -9.983 1.00 0.00 WT3 O ATOM 42593 H1 TIP3 5398 35.842 83.528 -10.420 1.00 0.00 WT3 H ATOM 42594 H2 TIP3 5398 36.180 82.392 -9.478 1.00 0.00 WT3 H ATOM 42595 OH2 TIP3 5399 32.216 95.477 53.279 1.00 0.00 WT3 O ATOM 42596 H1 TIP3 5399 31.849 96.314 52.996 1.00 0.00 WT3 H ATOM 42597 H2 TIP3 5399 32.300 94.967 52.474 1.00 0.00 WT3 H ATOM 42598 OH2 TIP3 5400 24.898 19.304 -1.376 1.00 0.00 WT3 O ATOM 42599 H1 TIP3 5400 25.783 18.961 -1.496 1.00 0.00 WT3 H ATOM 42600 H2 TIP3 5400 25.021 20.125 -0.899 1.00 0.00 WT3 H ATOM 42601 OH2 TIP3 5401 62.550 81.304 31.878 1.00 0.00 WT3 O ATOM 42602 H1 TIP3 5401 61.842 81.144 32.502 1.00 0.00 WT3 H ATOM 42603 H2 TIP3 5401 62.994 80.460 31.797 1.00 0.00 WT3 H ATOM 42604 OH2 TIP3 5402 83.485 58.779 -19.338 1.00 0.00 WT3 O ATOM 42605 H1 TIP3 5402 83.882 58.013 -18.924 1.00 0.00 WT3 H ATOM 42606 H2 TIP3 5402 83.631 58.649 -20.275 1.00 0.00 WT3 H ATOM 42607 OH2 TIP3 5404 45.192 90.322 12.687 1.00 0.00 WT3 O ATOM 42608 H1 TIP3 5404 45.639 91.121 12.407 1.00 0.00 WT3 H ATOM 42609 H2 TIP3 5404 45.895 89.681 12.798 1.00 0.00 WT3 H ATOM 42610 OH2 TIP3 5408 82.585 72.178 4.253 1.00 0.00 WT3 O ATOM 42611 H1 TIP3 5408 83.224 72.413 4.925 1.00 0.00 WT3 H ATOM 42612 H2 TIP3 5408 81.937 71.646 4.714 1.00 0.00 WT3 H ATOM 42613 OH2 TIP3 5409 36.688 16.084 52.054 1.00 0.00 WT3 O ATOM 42614 H1 TIP3 5409 36.083 15.695 51.423 1.00 0.00 WT3 H ATOM 42615 H2 TIP3 5409 37.267 16.633 51.524 1.00 0.00 WT3 H ATOM 42616 OH2 TIP3 5413 64.378 18.335 26.615 1.00 0.00 WT3 O ATOM 42617 H1 TIP3 5413 64.429 17.934 25.747 1.00 0.00 WT3 H ATOM 42618 H2 TIP3 5413 63.649 18.953 26.551 1.00 0.00 WT3 H ATOM 42619 OH2 TIP3 5414 20.583 76.578 2.820 1.00 0.00 WT3 O ATOM 42620 H1 TIP3 5414 19.821 76.163 3.224 1.00 0.00 WT3 H ATOM 42621 H2 TIP3 5414 21.329 76.063 3.130 1.00 0.00 WT3 H ATOM 42622 OH2 TIP3 5417 61.724 63.102 50.667 1.00 0.00 WT3 O ATOM 42623 H1 TIP3 5417 62.316 62.538 50.170 1.00 0.00 WT3 H ATOM 42624 H2 TIP3 5417 60.909 63.097 50.164 1.00 0.00 WT3 H ATOM 42625 OH2 TIP3 5418 45.379 96.230 30.555 1.00 0.00 WT3 O ATOM 42626 H1 TIP3 5418 45.708 95.894 31.389 1.00 0.00 WT3 H ATOM 42627 H2 TIP3 5418 45.078 95.453 30.085 1.00 0.00 WT3 H ATOM 42628 OH2 TIP3 5419 37.051 48.203 49.193 1.00 0.00 WT3 O ATOM 42629 H1 TIP3 5419 37.379 48.702 48.444 1.00 0.00 WT3 H ATOM 42630 H2 TIP3 5419 37.787 48.175 49.803 1.00 0.00 WT3 H ATOM 42631 OH2 TIP3 5420 44.463 1.411 -17.834 1.00 0.00 WT3 O ATOM 42632 H1 TIP3 5420 44.798 2.039 -17.194 1.00 0.00 WT3 H ATOM 42633 H2 TIP3 5420 43.642 1.097 -17.455 1.00 0.00 WT3 H ATOM 42634 OH2 TIP3 5421 44.189 86.971 57.285 1.00 0.00 WT3 O ATOM 42635 H1 TIP3 5421 43.600 87.574 57.738 1.00 0.00 WT3 H ATOM 42636 H2 TIP3 5421 45.035 87.093 57.716 1.00 0.00 WT3 H ATOM 42637 OH2 TIP3 5422 31.184 58.793 10.838 1.00 0.00 WT3 O ATOM 42638 H1 TIP3 5422 31.585 58.665 11.698 1.00 0.00 WT3 H ATOM 42639 H2 TIP3 5422 31.884 59.165 10.300 1.00 0.00 WT3 H ATOM 42640 OH2 TIP3 5423 69.390 80.850 -16.316 1.00 0.00 WT3 O ATOM 42641 H1 TIP3 5423 68.919 80.064 -16.042 1.00 0.00 WT3 H ATOM 42642 H2 TIP3 5423 70.296 80.561 -16.427 1.00 0.00 WT3 H ATOM 42643 OH2 TIP3 5424 68.067 85.251 9.196 1.00 0.00 WT3 O ATOM 42644 H1 TIP3 5424 67.492 84.981 8.479 1.00 0.00 WT3 H ATOM 42645 H2 TIP3 5424 68.942 85.271 8.807 1.00 0.00 WT3 H ATOM 42646 OH2 TIP3 5426 30.748 81.546 -3.427 1.00 0.00 WT3 O ATOM 42647 H1 TIP3 5426 29.896 81.683 -3.012 1.00 0.00 WT3 H ATOM 42648 H2 TIP3 5426 31.135 82.420 -3.473 1.00 0.00 WT3 H ATOM 42649 OH2 TIP3 5427 46.625 22.976 57.890 1.00 0.00 WT3 O ATOM 42650 H1 TIP3 5427 45.742 23.242 57.634 1.00 0.00 WT3 H ATOM 42651 H2 TIP3 5427 46.539 22.703 58.803 1.00 0.00 WT3 H ATOM 42652 OH2 TIP3 5428 63.540 69.090 40.379 1.00 0.00 WT3 O ATOM 42653 H1 TIP3 5428 64.410 69.479 40.470 1.00 0.00 WT3 H ATOM 42654 H2 TIP3 5428 63.347 69.151 39.444 1.00 0.00 WT3 H ATOM 42655 OH2 TIP3 5429 78.301 63.617 26.209 1.00 0.00 WT3 O ATOM 42656 H1 TIP3 5429 77.705 64.220 25.765 1.00 0.00 WT3 H ATOM 42657 H2 TIP3 5429 78.435 64.006 27.073 1.00 0.00 WT3 H ATOM 42658 OH2 TIP3 5430 65.780 56.575 -18.651 1.00 0.00 WT3 O ATOM 42659 H1 TIP3 5430 64.911 56.385 -19.004 1.00 0.00 WT3 H ATOM 42660 H2 TIP3 5430 65.721 56.334 -17.726 1.00 0.00 WT3 H ATOM 42661 OH2 TIP3 5432 64.670 91.847 25.020 1.00 0.00 WT3 O ATOM 42662 H1 TIP3 5432 64.778 92.508 25.703 1.00 0.00 WT3 H ATOM 42663 H2 TIP3 5432 63.841 91.417 25.230 1.00 0.00 WT3 H ATOM 42664 OH2 TIP3 5434 63.582 32.616 64.426 1.00 0.00 WT3 O ATOM 42665 H1 TIP3 5434 63.179 32.472 63.570 1.00 0.00 WT3 H ATOM 42666 H2 TIP3 5434 62.865 32.925 64.980 1.00 0.00 WT3 H ATOM 42667 OH2 TIP3 5436 71.527 16.834 3.468 1.00 0.00 WT3 O ATOM 42668 H1 TIP3 5436 72.019 17.578 3.122 1.00 0.00 WT3 H ATOM 42669 H2 TIP3 5436 72.132 16.095 3.402 1.00 0.00 WT3 H ATOM 42670 OH2 TIP3 5437 28.299 79.587 33.866 1.00 0.00 WT3 O ATOM 42671 H1 TIP3 5437 27.723 80.103 34.431 1.00 0.00 WT3 H ATOM 42672 H2 TIP3 5437 28.112 78.678 34.100 1.00 0.00 WT3 H ATOM 42673 OH2 TIP3 5438 64.371 93.211 20.390 1.00 0.00 WT3 O ATOM 42674 H1 TIP3 5438 64.907 93.977 20.593 1.00 0.00 WT3 H ATOM 42675 H2 TIP3 5438 63.676 93.547 19.824 1.00 0.00 WT3 H ATOM 42676 OH2 TIP3 5440 61.879 55.452 -12.636 1.00 0.00 WT3 O ATOM 42677 H1 TIP3 5440 62.169 54.866 -13.335 1.00 0.00 WT3 H ATOM 42678 H2 TIP3 5440 60.928 55.345 -12.613 1.00 0.00 WT3 H ATOM 42679 OH2 TIP3 5441 82.445 65.120 40.354 1.00 0.00 WT3 O ATOM 42680 H1 TIP3 5441 83.380 65.274 40.490 1.00 0.00 WT3 H ATOM 42681 H2 TIP3 5441 82.153 65.865 39.830 1.00 0.00 WT3 H ATOM 42682 OH2 TIP3 5442 52.212 75.518 48.598 1.00 0.00 WT3 O ATOM 42683 H1 TIP3 5442 53.080 75.132 48.715 1.00 0.00 WT3 H ATOM 42684 H2 TIP3 5442 51.613 74.771 48.620 1.00 0.00 WT3 H ATOM 42685 OH2 TIP3 5443 72.120 47.577 47.265 1.00 0.00 WT3 O ATOM 42686 H1 TIP3 5443 72.238 46.786 46.739 1.00 0.00 WT3 H ATOM 42687 H2 TIP3 5443 72.314 47.301 48.161 1.00 0.00 WT3 H ATOM 42688 OH2 TIP3 5444 37.240 12.417 -10.875 1.00 0.00 WT3 O ATOM 42689 H1 TIP3 5444 36.604 12.554 -10.173 1.00 0.00 WT3 H ATOM 42690 H2 TIP3 5444 37.260 11.468 -10.998 1.00 0.00 WT3 H ATOM 42691 OH2 TIP3 5446 73.113 84.559 17.629 1.00 0.00 WT3 O ATOM 42692 H1 TIP3 5446 72.640 84.571 16.796 1.00 0.00 WT3 H ATOM 42693 H2 TIP3 5446 72.928 83.695 17.997 1.00 0.00 WT3 H ATOM 42694 OH2 TIP3 5447 85.002 58.154 -8.598 1.00 0.00 WT3 O ATOM 42695 H1 TIP3 5447 84.738 57.669 -7.816 1.00 0.00 WT3 H ATOM 42696 H2 TIP3 5447 85.871 57.812 -8.810 1.00 0.00 WT3 H ATOM 42697 OH2 TIP3 5448 53.453 10.647 -8.938 1.00 0.00 WT3 O ATOM 42698 H1 TIP3 5448 53.177 10.905 -9.818 1.00 0.00 WT3 H ATOM 42699 H2 TIP3 5448 52.688 10.210 -8.565 1.00 0.00 WT3 H ATOM 42700 OH2 TIP3 5449 85.401 77.216 39.488 1.00 0.00 WT3 O ATOM 42701 H1 TIP3 5449 86.125 76.601 39.602 1.00 0.00 WT3 H ATOM 42702 H2 TIP3 5449 85.610 77.686 38.680 1.00 0.00 WT3 H ATOM 42703 OH2 TIP3 5450 84.731 45.442 22.483 1.00 0.00 WT3 O ATOM 42704 H1 TIP3 5450 84.880 45.903 23.309 1.00 0.00 WT3 H ATOM 42705 H2 TIP3 5450 85.464 45.703 21.926 1.00 0.00 WT3 H ATOM 42706 OH2 TIP3 5451 71.026 23.924 57.384 1.00 0.00 WT3 O ATOM 42707 H1 TIP3 5451 71.331 23.889 56.478 1.00 0.00 WT3 H ATOM 42708 H2 TIP3 5451 71.733 24.360 57.859 1.00 0.00 WT3 H ATOM 42709 OH2 TIP3 5452 59.529 41.635 -19.556 1.00 0.00 WT3 O ATOM 42710 H1 TIP3 5452 59.052 42.319 -19.086 1.00 0.00 WT3 H ATOM 42711 H2 TIP3 5452 59.941 42.091 -20.290 1.00 0.00 WT3 H ATOM 42712 OH2 TIP3 5453 60.458 70.422 65.353 1.00 0.00 WT3 O ATOM 42713 H1 TIP3 5453 60.785 71.247 65.711 1.00 0.00 WT3 H ATOM 42714 H2 TIP3 5453 59.510 70.464 65.482 1.00 0.00 WT3 H ATOM 42715 OH2 TIP3 5455 30.482 69.042 -16.959 1.00 0.00 WT3 O ATOM 42716 H1 TIP3 5455 31.379 69.192 -17.256 1.00 0.00 WT3 H ATOM 42717 H2 TIP3 5455 30.055 68.607 -17.697 1.00 0.00 WT3 H ATOM 42718 OH2 TIP3 5456 48.040 18.824 3.349 1.00 0.00 WT3 O ATOM 42719 H1 TIP3 5456 47.819 18.340 4.145 1.00 0.00 WT3 H ATOM 42720 H2 TIP3 5456 48.321 19.684 3.661 1.00 0.00 WT3 H ATOM 42721 OH2 TIP3 5457 82.781 39.552 38.507 1.00 0.00 WT3 O ATOM 42722 H1 TIP3 5457 83.366 39.812 39.218 1.00 0.00 WT3 H ATOM 42723 H2 TIP3 5457 83.029 38.650 38.309 1.00 0.00 WT3 H ATOM 42724 OH2 TIP3 5458 62.448 46.304 53.736 1.00 0.00 WT3 O ATOM 42725 H1 TIP3 5458 62.112 46.487 52.859 1.00 0.00 WT3 H ATOM 42726 H2 TIP3 5458 61.699 46.451 54.315 1.00 0.00 WT3 H ATOM 42727 OH2 TIP3 5459 66.803 74.351 66.625 1.00 0.00 WT3 O ATOM 42728 H1 TIP3 5459 66.892 75.230 66.994 1.00 0.00 WT3 H ATOM 42729 H2 TIP3 5459 65.980 74.377 66.138 1.00 0.00 WT3 H ATOM 42730 OH2 TIP3 5460 59.732 75.177 -2.277 1.00 0.00 WT3 O ATOM 42731 H1 TIP3 5460 59.268 74.435 -1.889 1.00 0.00 WT3 H ATOM 42732 H2 TIP3 5460 59.444 75.190 -3.190 1.00 0.00 WT3 H ATOM 42733 OH2 TIP3 5461 33.049 66.579 -18.017 1.00 0.00 WT3 O ATOM 42734 H1 TIP3 5461 33.495 66.253 -17.236 1.00 0.00 WT3 H ATOM 42735 H2 TIP3 5461 33.473 67.417 -18.202 1.00 0.00 WT3 H ATOM 42736 OH2 TIP3 5462 51.417 17.880 45.148 1.00 0.00 WT3 O ATOM 42737 H1 TIP3 5462 52.162 17.556 44.641 1.00 0.00 WT3 H ATOM 42738 H2 TIP3 5462 51.739 17.918 46.049 1.00 0.00 WT3 H ATOM 42739 OH2 TIP3 5463 72.884 71.328 15.496 1.00 0.00 WT3 O ATOM 42740 H1 TIP3 5463 71.982 71.597 15.668 1.00 0.00 WT3 H ATOM 42741 H2 TIP3 5463 73.412 72.089 15.738 1.00 0.00 WT3 H ATOM 42742 OH2 TIP3 5464 83.106 81.496 15.402 1.00 0.00 WT3 O ATOM 42743 H1 TIP3 5464 82.152 81.572 15.362 1.00 0.00 WT3 H ATOM 42744 H2 TIP3 5464 83.412 82.391 15.549 1.00 0.00 WT3 H ATOM 42745 OH2 TIP3 5465 51.268 27.739 38.765 1.00 0.00 WT3 O ATOM 42746 H1 TIP3 5465 52.105 28.178 38.609 1.00 0.00 WT3 H ATOM 42747 H2 TIP3 5465 51.466 27.070 39.420 1.00 0.00 WT3 H ATOM 42748 OH2 TIP3 5466 28.810 30.200 27.063 1.00 0.00 WT3 O ATOM 42749 H1 TIP3 5466 29.345 29.420 26.915 1.00 0.00 WT3 H ATOM 42750 H2 TIP3 5466 28.918 30.393 27.994 1.00 0.00 WT3 H ATOM 42751 OH2 TIP3 5469 81.159 40.056 -15.748 1.00 0.00 WT3 O ATOM 42752 H1 TIP3 5469 81.686 40.654 -15.218 1.00 0.00 WT3 H ATOM 42753 H2 TIP3 5469 80.351 40.539 -15.923 1.00 0.00 WT3 H ATOM 42754 OH2 TIP3 5470 62.689 77.274 -15.101 1.00 0.00 WT3 O ATOM 42755 H1 TIP3 5470 62.010 76.673 -15.406 1.00 0.00 WT3 H ATOM 42756 H2 TIP3 5470 63.468 76.727 -15.001 1.00 0.00 WT3 H ATOM 42757 OH2 TIP3 5471 48.238 74.253 54.000 1.00 0.00 WT3 O ATOM 42758 H1 TIP3 5471 48.525 74.818 53.282 1.00 0.00 WT3 H ATOM 42759 H2 TIP3 5471 47.515 73.746 53.632 1.00 0.00 WT3 H ATOM 42760 OH2 TIP3 5472 58.837 3.612 0.284 1.00 0.00 WT3 O ATOM 42761 H1 TIP3 5472 59.517 3.315 0.888 1.00 0.00 WT3 H ATOM 42762 H2 TIP3 5472 58.031 3.217 0.617 1.00 0.00 WT3 H ATOM 42763 OH2 TIP3 5473 55.125 88.266 24.433 1.00 0.00 WT3 O ATOM 42764 H1 TIP3 5473 54.685 88.122 23.595 1.00 0.00 WT3 H ATOM 42765 H2 TIP3 5473 54.786 87.577 25.004 1.00 0.00 WT3 H ATOM 42766 OH2 TIP3 5474 59.769 2.095 -14.843 1.00 0.00 WT3 O ATOM 42767 H1 TIP3 5474 58.942 1.629 -14.970 1.00 0.00 WT3 H ATOM 42768 H2 TIP3 5474 60.029 1.881 -13.947 1.00 0.00 WT3 H ATOM 42769 OH2 TIP3 5476 41.738 89.186 2.671 1.00 0.00 WT3 O ATOM 42770 H1 TIP3 5476 42.134 89.903 3.166 1.00 0.00 WT3 H ATOM 42771 H2 TIP3 5476 41.624 88.486 3.314 1.00 0.00 WT3 H ATOM 42772 OH2 TIP3 5477 50.423 68.291 47.935 1.00 0.00 WT3 O ATOM 42773 H1 TIP3 5477 51.263 67.879 48.135 1.00 0.00 WT3 H ATOM 42774 H2 TIP3 5477 49.772 67.619 48.137 1.00 0.00 WT3 H ATOM 42775 OH2 TIP3 5478 62.605 68.954 37.557 1.00 0.00 WT3 O ATOM 42776 H1 TIP3 5478 63.122 68.164 37.716 1.00 0.00 WT3 H ATOM 42777 H2 TIP3 5478 61.743 68.629 37.299 1.00 0.00 WT3 H ATOM 42778 OH2 TIP3 5479 88.498 59.822 -14.254 1.00 0.00 WT3 O ATOM 42779 H1 TIP3 5479 87.591 59.945 -14.536 1.00 0.00 WT3 H ATOM 42780 H2 TIP3 5479 88.429 59.368 -13.413 1.00 0.00 WT3 H ATOM 42781 OH2 TIP3 5480 66.918 69.956 27.925 1.00 0.00 WT3 O ATOM 42782 H1 TIP3 5480 67.193 69.616 27.073 1.00 0.00 WT3 H ATOM 42783 H2 TIP3 5480 66.018 69.645 28.028 1.00 0.00 WT3 H ATOM 42784 OH2 TIP3 5481 59.842 79.678 38.407 1.00 0.00 WT3 O ATOM 42785 H1 TIP3 5481 60.388 79.268 39.077 1.00 0.00 WT3 H ATOM 42786 H2 TIP3 5481 59.737 79.002 37.737 1.00 0.00 WT3 H ATOM 42787 OH2 TIP3 5482 64.044 25.501 60.617 1.00 0.00 WT3 O ATOM 42788 H1 TIP3 5482 63.653 26.320 60.314 1.00 0.00 WT3 H ATOM 42789 H2 TIP3 5482 63.809 24.860 59.946 1.00 0.00 WT3 H ATOM 42790 OH2 TIP3 5484 26.542 81.903 34.664 1.00 0.00 WT3 O ATOM 42791 H1 TIP3 5484 25.706 81.467 34.824 1.00 0.00 WT3 H ATOM 42792 H2 TIP3 5484 26.651 81.873 33.714 1.00 0.00 WT3 H ATOM 42793 OH2 TIP3 5485 90.637 75.630 -1.553 1.00 0.00 WT3 O ATOM 42794 H1 TIP3 5485 89.856 75.086 -1.654 1.00 0.00 WT3 H ATOM 42795 H2 TIP3 5485 91.190 75.395 -2.299 1.00 0.00 WT3 H ATOM 42796 OH2 TIP3 5487 73.238 31.716 31.301 1.00 0.00 WT3 O ATOM 42797 H1 TIP3 5487 73.174 30.836 31.674 1.00 0.00 WT3 H ATOM 42798 H2 TIP3 5487 74.178 31.891 31.260 1.00 0.00 WT3 H ATOM 42799 OH2 TIP3 5489 72.228 33.847 56.219 1.00 0.00 WT3 O ATOM 42800 H1 TIP3 5489 71.796 34.526 55.700 1.00 0.00 WT3 H ATOM 42801 H2 TIP3 5489 73.130 34.152 56.311 1.00 0.00 WT3 H ATOM 42802 OH2 TIP3 5490 37.047 12.537 36.489 1.00 0.00 WT3 O ATOM 42803 H1 TIP3 5490 36.420 13.159 36.857 1.00 0.00 WT3 H ATOM 42804 H2 TIP3 5490 37.624 13.071 35.943 1.00 0.00 WT3 H ATOM 42805 OH2 TIP3 5491 76.581 95.378 -3.119 1.00 0.00 WT3 O ATOM 42806 H1 TIP3 5491 76.610 95.943 -3.891 1.00 0.00 WT3 H ATOM 42807 H2 TIP3 5491 75.771 95.625 -2.672 1.00 0.00 WT3 H ATOM 42808 OH2 TIP3 5492 42.840 50.587 62.151 1.00 0.00 WT3 O ATOM 42809 H1 TIP3 5492 42.415 50.993 62.906 1.00 0.00 WT3 H ATOM 42810 H2 TIP3 5492 42.625 51.163 61.417 1.00 0.00 WT3 H ATOM 42811 OH2 TIP3 5493 73.324 52.944 4.604 1.00 0.00 WT3 O ATOM 42812 H1 TIP3 5493 73.843 52.151 4.470 1.00 0.00 WT3 H ATOM 42813 H2 TIP3 5493 73.172 52.975 5.548 1.00 0.00 WT3 H ATOM 42814 OH2 TIP3 5494 85.678 86.518 9.438 1.00 0.00 WT3 O ATOM 42815 H1 TIP3 5494 85.666 86.834 10.341 1.00 0.00 WT3 H ATOM 42816 H2 TIP3 5494 86.586 86.630 9.157 1.00 0.00 WT3 H ATOM 42817 OH2 TIP3 5496 50.533 86.590 18.876 1.00 0.00 WT3 O ATOM 42818 H1 TIP3 5496 50.685 87.313 19.485 1.00 0.00 WT3 H ATOM 42819 H2 TIP3 5496 51.395 86.403 18.505 1.00 0.00 WT3 H ATOM 42820 OH2 TIP3 5497 85.590 2.299 -12.161 1.00 0.00 WT3 O ATOM 42821 H1 TIP3 5497 85.159 1.806 -12.859 1.00 0.00 WT3 H ATOM 42822 H2 TIP3 5497 85.785 1.645 -11.490 1.00 0.00 WT3 H ATOM 42823 OH2 TIP3 5498 56.793 21.746 26.912 1.00 0.00 WT3 O ATOM 42824 H1 TIP3 5498 57.128 22.465 26.377 1.00 0.00 WT3 H ATOM 42825 H2 TIP3 5498 55.849 21.900 26.959 1.00 0.00 WT3 H ATOM 42826 OH2 TIP3 5503 49.539 18.215 -6.593 1.00 0.00 WT3 O ATOM 42827 H1 TIP3 5503 50.419 18.351 -6.942 1.00 0.00 WT3 H ATOM 42828 H2 TIP3 5503 49.590 17.377 -6.133 1.00 0.00 WT3 H ATOM 42829 OH2 TIP3 5504 65.706 77.729 10.209 1.00 0.00 WT3 O ATOM 42830 H1 TIP3 5504 65.031 77.475 9.579 1.00 0.00 WT3 H ATOM 42831 H2 TIP3 5504 65.238 77.811 11.041 1.00 0.00 WT3 H ATOM 42832 OH2 TIP3 5505 31.035 3.515 35.331 1.00 0.00 WT3 O ATOM 42833 H1 TIP3 5505 30.986 3.622 34.381 1.00 0.00 WT3 H ATOM 42834 H2 TIP3 5505 31.712 4.133 35.607 1.00 0.00 WT3 H ATOM 42835 OH2 TIP3 5513 84.044 36.440 51.388 1.00 0.00 WT3 O ATOM 42836 H1 TIP3 5513 84.621 36.978 50.846 1.00 0.00 WT3 H ATOM 42837 H2 TIP3 5513 84.354 36.582 52.282 1.00 0.00 WT3 H ATOM 42838 OH2 TIP3 5514 79.101 1.299 47.025 1.00 0.00 WT3 O ATOM 42839 H1 TIP3 5514 79.384 2.212 47.074 1.00 0.00 WT3 H ATOM 42840 H2 TIP3 5514 79.598 0.932 46.294 1.00 0.00 WT3 H ATOM 42841 OH2 TIP3 5517 40.010 79.640 36.710 1.00 0.00 WT3 O ATOM 42842 H1 TIP3 5517 40.496 80.287 36.199 1.00 0.00 WT3 H ATOM 42843 H2 TIP3 5517 40.342 78.795 36.405 1.00 0.00 WT3 H ATOM 42844 OH2 TIP3 5518 34.498 37.097 50.000 1.00 0.00 WT3 O ATOM 42845 H1 TIP3 5518 34.999 37.551 49.322 1.00 0.00 WT3 H ATOM 42846 H2 TIP3 5518 34.095 37.799 50.511 1.00 0.00 WT3 H ATOM 42847 OH2 TIP3 5519 30.872 22.566 -6.219 1.00 0.00 WT3 O ATOM 42848 H1 TIP3 5519 31.306 23.043 -6.926 1.00 0.00 WT3 H ATOM 42849 H2 TIP3 5519 31.031 23.096 -5.438 1.00 0.00 WT3 H ATOM 42850 OH2 TIP3 5520 75.755 83.067 -19.329 1.00 0.00 WT3 O ATOM 42851 H1 TIP3 5520 75.733 83.414 -18.437 1.00 0.00 WT3 H ATOM 42852 H2 TIP3 5520 76.470 82.431 -19.321 1.00 0.00 WT3 H ATOM 42853 OH2 TIP3 5523 71.942 57.590 62.269 1.00 0.00 WT3 O ATOM 42854 H1 TIP3 5523 72.065 56.841 61.686 1.00 0.00 WT3 H ATOM 42855 H2 TIP3 5523 71.652 58.297 61.693 1.00 0.00 WT3 H ATOM 42856 OH2 TIP3 5526 30.184 56.449 21.880 1.00 0.00 WT3 O ATOM 42857 H1 TIP3 5526 29.759 56.198 22.700 1.00 0.00 WT3 H ATOM 42858 H2 TIP3 5526 31.090 56.635 22.126 1.00 0.00 WT3 H ATOM 42859 OH2 TIP3 5528 83.294 72.390 6.969 1.00 0.00 WT3 O ATOM 42860 H1 TIP3 5528 82.670 71.820 7.418 1.00 0.00 WT3 H ATOM 42861 H2 TIP3 5528 84.141 72.173 7.359 1.00 0.00 WT3 H ATOM 42862 OH2 TIP3 5529 76.711 39.836 18.731 1.00 0.00 WT3 O ATOM 42863 H1 TIP3 5529 77.326 40.387 18.246 1.00 0.00 WT3 H ATOM 42864 H2 TIP3 5529 75.862 40.009 18.325 1.00 0.00 WT3 H ATOM 42865 OH2 TIP3 5537 79.482 21.840 53.924 1.00 0.00 WT3 O ATOM 42866 H1 TIP3 5537 79.683 21.681 53.001 1.00 0.00 WT3 H ATOM 42867 H2 TIP3 5537 78.760 22.468 53.907 1.00 0.00 WT3 H ATOM 42868 OH2 TIP3 5538 84.382 64.839 -3.029 1.00 0.00 WT3 O ATOM 42869 H1 TIP3 5538 83.938 65.462 -3.605 1.00 0.00 WT3 H ATOM 42870 H2 TIP3 5538 85.289 64.836 -3.333 1.00 0.00 WT3 H ATOM 42871 OH2 TIP3 5544 77.018 9.299 48.954 1.00 0.00 WT3 O ATOM 42872 H1 TIP3 5544 77.119 10.247 48.873 1.00 0.00 WT3 H ATOM 42873 H2 TIP3 5544 77.108 8.971 48.059 1.00 0.00 WT3 H ATOM 42874 OH2 TIP3 5553 83.091 90.251 50.882 1.00 0.00 WT3 O ATOM 42875 H1 TIP3 5553 82.286 90.434 50.398 1.00 0.00 WT3 H ATOM 42876 H2 TIP3 5553 83.407 89.424 50.518 1.00 0.00 WT3 H ATOM 42877 OH2 TIP3 5561 53.714 48.000 41.791 1.00 0.00 WT3 O ATOM 42878 H1 TIP3 5561 52.899 47.497 41.812 1.00 0.00 WT3 H ATOM 42879 H2 TIP3 5561 54.054 47.867 40.906 1.00 0.00 WT3 H ATOM 42880 OH2 TIP3 5650 74.515 51.529 -12.060 1.00 0.00 WT3 O ATOM 42881 H1 TIP3 5650 74.659 51.724 -12.986 1.00 0.00 WT3 H ATOM 42882 H2 TIP3 5650 73.569 51.615 -11.941 1.00 0.00 WT3 H ATOM 42883 OH2 TIP3 5654 69.192 81.516 11.038 1.00 0.00 WT3 O ATOM 42884 H1 TIP3 5654 69.077 81.039 10.216 1.00 0.00 WT3 H ATOM 42885 H2 TIP3 5654 68.491 82.167 11.037 1.00 0.00 WT3 H ATOM 42886 OH2 TIP3 5669 90.303 53.687 60.889 1.00 0.00 WT3 O ATOM 42887 H1 TIP3 5669 89.664 54.398 60.836 1.00 0.00 WT3 H ATOM 42888 H2 TIP3 5669 91.074 54.086 61.292 1.00 0.00 WT3 H ATOM 42889 OH2 TIP3 5676 51.530 80.586 9.778 1.00 0.00 WT3 O ATOM 42890 H1 TIP3 5676 51.501 79.994 10.529 1.00 0.00 WT3 H ATOM 42891 H2 TIP3 5676 50.876 80.238 9.172 1.00 0.00 WT3 H ATOM 42892 OH2 TIP3 5678 22.871 38.665 57.736 1.00 0.00 WT3 O ATOM 42893 H1 TIP3 5678 22.273 38.375 57.046 1.00 0.00 WT3 H ATOM 42894 H2 TIP3 5678 23.434 37.908 57.900 1.00 0.00 WT3 H ATOM 42895 OH2 TIP3 5679 22.859 49.496 22.749 1.00 0.00 WT3 O ATOM 42896 H1 TIP3 5679 23.026 50.154 23.424 1.00 0.00 WT3 H ATOM 42897 H2 TIP3 5679 23.442 48.771 22.973 1.00 0.00 WT3 H ATOM 42898 OH2 TIP3 5690 36.159 71.590 19.243 1.00 0.00 WT3 O ATOM 42899 H1 TIP3 5690 36.868 71.367 19.847 1.00 0.00 WT3 H ATOM 42900 H2 TIP3 5690 36.505 71.375 18.377 1.00 0.00 WT3 H ATOM 42901 OH2 TIP3 5691 29.917 77.639 39.747 1.00 0.00 WT3 O ATOM 42902 H1 TIP3 5691 30.313 77.755 38.883 1.00 0.00 WT3 H ATOM 42903 H2 TIP3 5691 30.562 77.999 40.356 1.00 0.00 WT3 H ATOM 42904 OH2 TIP3 5692 81.819 71.049 24.094 1.00 0.00 WT3 O ATOM 42905 H1 TIP3 5692 82.120 71.086 25.002 1.00 0.00 WT3 H ATOM 42906 H2 TIP3 5692 81.873 70.122 23.862 1.00 0.00 WT3 H ATOM 42907 OH2 TIP3 5697 45.706 42.962 48.910 1.00 0.00 WT3 O ATOM 42908 H1 TIP3 5697 45.085 43.643 49.171 1.00 0.00 WT3 H ATOM 42909 H2 TIP3 5697 45.786 43.063 47.961 1.00 0.00 WT3 H ATOM 42910 OH2 TIP3 5706 22.666 83.045 -6.745 1.00 0.00 WT3 O ATOM 42911 H1 TIP3 5706 22.353 82.749 -5.891 1.00 0.00 WT3 H ATOM 42912 H2 TIP3 5706 22.946 83.949 -6.599 1.00 0.00 WT3 H ATOM 42913 OH2 TIP3 5710 34.268 70.040 -0.703 1.00 0.00 WT3 O ATOM 42914 H1 TIP3 5710 35.115 70.215 -1.112 1.00 0.00 WT3 H ATOM 42915 H2 TIP3 5710 34.432 70.125 0.236 1.00 0.00 WT3 H ATOM 42916 OH2 TIP3 5711 81.142 3.950 -9.008 1.00 0.00 WT3 O ATOM 42917 H1 TIP3 5711 80.342 3.473 -9.229 1.00 0.00 WT3 H ATOM 42918 H2 TIP3 5711 80.914 4.448 -8.222 1.00 0.00 WT3 H ATOM 42919 OH2 TIP3 5714 27.914 32.410 25.864 1.00 0.00 WT3 O ATOM 42920 H1 TIP3 5714 28.231 31.599 26.260 1.00 0.00 WT3 H ATOM 42921 H2 TIP3 5714 28.201 32.361 24.953 1.00 0.00 WT3 H ATOM 42922 OH2 TIP3 5715 48.264 54.125 -16.263 1.00 0.00 WT3 O ATOM 42923 H1 TIP3 5715 47.684 53.896 -16.989 1.00 0.00 WT3 H ATOM 42924 H2 TIP3 5715 49.106 54.311 -16.679 1.00 0.00 WT3 H ATOM 42925 OH2 TIP3 5720 67.238 39.925 23.715 1.00 0.00 WT3 O ATOM 42926 H1 TIP3 5720 66.442 40.396 23.469 1.00 0.00 WT3 H ATOM 42927 H2 TIP3 5720 67.932 40.344 23.206 1.00 0.00 WT3 H ATOM 42928 OH2 TIP3 5723 31.722 94.788 -12.134 1.00 0.00 WT3 O ATOM 42929 H1 TIP3 5723 31.308 94.214 -12.779 1.00 0.00 WT3 H ATOM 42930 H2 TIP3 5723 32.655 94.583 -12.195 1.00 0.00 WT3 H ATOM 42931 OH2 TIP3 5727 44.244 86.252 34.677 1.00 0.00 WT3 O ATOM 42932 H1 TIP3 5727 44.870 86.882 34.320 1.00 0.00 WT3 H ATOM 42933 H2 TIP3 5727 44.752 85.740 35.307 1.00 0.00 WT3 H ATOM 42934 OH2 TIP3 5733 76.361 62.816 42.823 1.00 0.00 WT3 O ATOM 42935 H1 TIP3 5733 75.599 62.776 42.244 1.00 0.00 WT3 H ATOM 42936 H2 TIP3 5733 76.357 61.978 43.284 1.00 0.00 WT3 H ATOM 42937 OH2 TIP3 5734 34.118 36.074 0.289 1.00 0.00 WT3 O ATOM 42938 H1 TIP3 5734 34.013 36.591 1.088 1.00 0.00 WT3 H ATOM 42939 H2 TIP3 5734 35.025 36.224 0.023 1.00 0.00 WT3 H ATOM 42940 OH2 TIP3 5736 73.985 65.669 22.782 1.00 0.00 WT3 O ATOM 42941 H1 TIP3 5736 73.096 65.367 22.970 1.00 0.00 WT3 H ATOM 42942 H2 TIP3 5736 73.883 66.596 22.569 1.00 0.00 WT3 H ATOM 42943 OH2 TIP3 5738 54.272 55.958 -4.836 1.00 0.00 WT3 O ATOM 42944 H1 TIP3 5738 54.045 56.793 -5.245 1.00 0.00 WT3 H ATOM 42945 H2 TIP3 5738 55.015 56.164 -4.268 1.00 0.00 WT3 H ATOM 42946 OH2 TIP3 5744 82.074 50.870 63.548 1.00 0.00 WT3 O ATOM 42947 H1 TIP3 5744 82.419 50.346 64.271 1.00 0.00 WT3 H ATOM 42948 H2 TIP3 5744 81.595 51.580 63.973 1.00 0.00 WT3 H ATOM 42949 OH2 TIP3 5749 26.939 82.704 37.224 1.00 0.00 WT3 O ATOM 42950 H1 TIP3 5749 26.845 82.369 36.332 1.00 0.00 WT3 H ATOM 42951 H2 TIP3 5749 27.249 83.603 37.111 1.00 0.00 WT3 H ATOM 42952 OH2 TIP3 5750 46.366 94.538 -15.328 1.00 0.00 WT3 O ATOM 42953 H1 TIP3 5750 46.635 94.894 -14.481 1.00 0.00 WT3 H ATOM 42954 H2 TIP3 5750 46.978 93.821 -15.493 1.00 0.00 WT3 H ATOM 42955 OH2 TIP3 5753 80.437 50.447 23.010 1.00 0.00 WT3 O ATOM 42956 H1 TIP3 5753 81.258 50.291 22.541 1.00 0.00 WT3 H ATOM 42957 H2 TIP3 5753 79.852 50.821 22.351 1.00 0.00 WT3 H ATOM 42958 OH2 TIP3 5754 62.833 23.145 3.957 1.00 0.00 WT3 O ATOM 42959 H1 TIP3 5754 62.561 23.983 4.332 1.00 0.00 WT3 H ATOM 42960 H2 TIP3 5754 62.715 23.255 3.014 1.00 0.00 WT3 H ATOM 42961 OH2 TIP3 5755 69.719 74.313 29.449 1.00 0.00 WT3 O ATOM 42962 H1 TIP3 5755 69.983 74.024 28.575 1.00 0.00 WT3 H ATOM 42963 H2 TIP3 5755 68.803 74.572 29.349 1.00 0.00 WT3 H ATOM 42964 OH2 TIP3 5756 23.937 84.694 -14.738 1.00 0.00 WT3 O ATOM 42965 H1 TIP3 5756 22.983 84.760 -14.710 1.00 0.00 WT3 H ATOM 42966 H2 TIP3 5756 24.108 83.763 -14.879 1.00 0.00 WT3 H ATOM 42967 OH2 TIP3 5757 24.328 24.384 -2.592 1.00 0.00 WT3 O ATOM 42968 H1 TIP3 5757 24.783 25.175 -2.301 1.00 0.00 WT3 H ATOM 42969 H2 TIP3 5757 24.989 23.693 -2.538 1.00 0.00 WT3 H ATOM 42970 OH2 TIP3 5758 88.253 71.513 8.478 1.00 0.00 WT3 O ATOM 42971 H1 TIP3 5758 88.659 71.034 7.755 1.00 0.00 WT3 H ATOM 42972 H2 TIP3 5758 88.743 71.239 9.253 1.00 0.00 WT3 H ATOM 42973 OH2 TIP3 5764 80.848 59.909 61.722 1.00 0.00 WT3 O ATOM 42974 H1 TIP3 5764 79.903 59.755 61.711 1.00 0.00 WT3 H ATOM 42975 H2 TIP3 5764 80.965 60.641 62.328 1.00 0.00 WT3 H ATOM 42976 OH2 TIP3 5768 29.890 33.823 29.829 1.00 0.00 WT3 O ATOM 42977 H1 TIP3 5768 29.963 34.551 30.445 1.00 0.00 WT3 H ATOM 42978 H2 TIP3 5768 29.275 34.132 29.163 1.00 0.00 WT3 H ATOM 42979 OH2 TIP3 5772 33.540 73.931 21.329 1.00 0.00 WT3 O ATOM 42980 H1 TIP3 5772 34.138 73.199 21.478 1.00 0.00 WT3 H ATOM 42981 H2 TIP3 5772 33.450 73.979 20.377 1.00 0.00 WT3 H ATOM 42982 OH2 TIP3 5774 51.364 41.627 -19.460 1.00 0.00 WT3 O ATOM 42983 H1 TIP3 5774 52.312 41.498 -19.490 1.00 0.00 WT3 H ATOM 42984 H2 TIP3 5774 51.023 40.818 -19.079 1.00 0.00 WT3 H ATOM 42985 OH2 TIP3 5776 64.869 75.038 -7.583 1.00 0.00 WT3 O ATOM 42986 H1 TIP3 5776 65.822 75.106 -7.530 1.00 0.00 WT3 H ATOM 42987 H2 TIP3 5776 64.549 75.871 -7.238 1.00 0.00 WT3 H ATOM 42988 OH2 TIP3 5777 51.442 72.891 55.104 1.00 0.00 WT3 O ATOM 42989 H1 TIP3 5777 51.524 71.965 54.877 1.00 0.00 WT3 H ATOM 42990 H2 TIP3 5777 50.809 72.907 55.822 1.00 0.00 WT3 H ATOM 42991 OH2 TIP3 5778 29.703 8.333 -9.443 1.00 0.00 WT3 O ATOM 42992 H1 TIP3 5778 30.482 7.812 -9.246 1.00 0.00 WT3 H ATOM 42993 H2 TIP3 5778 29.392 7.992 -10.281 1.00 0.00 WT3 H ATOM 42994 OH2 TIP3 5779 89.680 23.579 8.858 1.00 0.00 WT3 O ATOM 42995 H1 TIP3 5779 90.631 23.533 8.964 1.00 0.00 WT3 H ATOM 42996 H2 TIP3 5779 89.553 24.088 8.057 1.00 0.00 WT3 H ATOM 42997 OH2 TIP3 5780 69.139 39.482 29.529 1.00 0.00 WT3 O ATOM 42998 H1 TIP3 5780 69.920 39.167 29.984 1.00 0.00 WT3 H ATOM 42999 H2 TIP3 5780 68.542 38.735 29.533 1.00 0.00 WT3 H ATOM 43000 OH2 TIP3 5781 81.577 84.653 49.326 1.00 0.00 WT3 O ATOM 43001 H1 TIP3 5781 80.865 85.227 49.045 1.00 0.00 WT3 H ATOM 43002 H2 TIP3 5781 81.271 84.281 50.154 1.00 0.00 WT3 H ATOM 43003 OH2 TIP3 5782 27.898 29.887 11.225 1.00 0.00 WT3 O ATOM 43004 H1 TIP3 5782 28.302 29.609 12.047 1.00 0.00 WT3 H ATOM 43005 H2 TIP3 5782 28.623 30.237 10.707 1.00 0.00 WT3 H ATOM 43006 OH2 TIP3 5787 56.368 66.022 16.394 1.00 0.00 WT3 O ATOM 43007 H1 TIP3 5787 55.740 65.473 15.925 1.00 0.00 WT3 H ATOM 43008 H2 TIP3 5787 56.922 65.402 16.868 1.00 0.00 WT3 H ATOM 43009 OH2 TIP3 5790 66.216 66.990 27.188 1.00 0.00 WT3 O ATOM 43010 H1 TIP3 5790 65.870 67.882 27.185 1.00 0.00 WT3 H ATOM 43011 H2 TIP3 5790 65.856 66.590 26.397 1.00 0.00 WT3 H ATOM 43012 OH2 TIP3 5795 52.963 84.626 12.847 1.00 0.00 WT3 O ATOM 43013 H1 TIP3 5795 53.841 84.524 12.481 1.00 0.00 WT3 H ATOM 43014 H2 TIP3 5795 52.793 83.798 13.297 1.00 0.00 WT3 H ATOM 43015 OH2 TIP3 5797 89.315 15.588 -4.313 1.00 0.00 WT3 O ATOM 43016 H1 TIP3 5797 89.103 14.894 -3.690 1.00 0.00 WT3 H ATOM 43017 H2 TIP3 5797 90.008 16.092 -3.885 1.00 0.00 WT3 H ATOM 43018 OH2 TIP3 5798 60.091 21.161 -6.370 1.00 0.00 WT3 O ATOM 43019 H1 TIP3 5798 59.970 20.339 -6.845 1.00 0.00 WT3 H ATOM 43020 H2 TIP3 5798 60.785 20.973 -5.739 1.00 0.00 WT3 H ATOM 43021 OH2 TIP3 5799 51.892 90.192 59.658 1.00 0.00 WT3 O ATOM 43022 H1 TIP3 5799 51.522 89.656 58.957 1.00 0.00 WT3 H ATOM 43023 H2 TIP3 5799 52.306 89.563 60.249 1.00 0.00 WT3 H ATOM 43024 OH2 TIP3 5800 86.710 35.650 -8.476 1.00 0.00 WT3 O ATOM 43025 H1 TIP3 5800 85.759 35.754 -8.521 1.00 0.00 WT3 H ATOM 43026 H2 TIP3 5800 86.989 36.280 -7.811 1.00 0.00 WT3 H ATOM 43027 OH2 TIP3 5801 67.972 74.296 13.548 1.00 0.00 WT3 O ATOM 43028 H1 TIP3 5801 67.513 73.466 13.420 1.00 0.00 WT3 H ATOM 43029 H2 TIP3 5801 67.852 74.495 14.477 1.00 0.00 WT3 H ATOM 43030 OH2 TIP3 5802 67.772 8.347 12.082 1.00 0.00 WT3 O ATOM 43031 H1 TIP3 5802 67.418 8.919 12.763 1.00 0.00 WT3 H ATOM 43032 H2 TIP3 5802 68.011 7.543 12.544 1.00 0.00 WT3 H ATOM 43033 OH2 TIP3 5803 48.344 65.459 2.296 1.00 0.00 WT3 O ATOM 43034 H1 TIP3 5803 47.746 65.415 3.042 1.00 0.00 WT3 H ATOM 43035 H2 TIP3 5803 49.212 65.322 2.676 1.00 0.00 WT3 H ATOM 43036 OH2 TIP3 5808 82.450 29.150 31.411 1.00 0.00 WT3 O ATOM 43037 H1 TIP3 5808 82.277 29.611 30.590 1.00 0.00 WT3 H ATOM 43038 H2 TIP3 5808 82.921 28.360 31.148 1.00 0.00 WT3 H ATOM 43039 OH2 TIP3 5809 62.794 0.872 21.460 1.00 0.00 WT3 O ATOM 43040 H1 TIP3 5809 62.934 1.655 20.926 1.00 0.00 WT3 H ATOM 43041 H2 TIP3 5809 61.843 0.797 21.531 1.00 0.00 WT3 H ATOM 43042 OH2 TIP3 5810 70.471 23.946 41.875 1.00 0.00 WT3 O ATOM 43043 H1 TIP3 5810 70.100 23.416 42.582 1.00 0.00 WT3 H ATOM 43044 H2 TIP3 5810 71.234 23.450 41.579 1.00 0.00 WT3 H ATOM 43045 OH2 TIP3 5812 79.182 90.010 17.828 1.00 0.00 WT3 O ATOM 43046 H1 TIP3 5812 79.048 89.087 18.043 1.00 0.00 WT3 H ATOM 43047 H2 TIP3 5812 78.420 90.456 18.197 1.00 0.00 WT3 H ATOM 43048 OH2 TIP3 5813 75.722 67.411 52.809 1.00 0.00 WT3 O ATOM 43049 H1 TIP3 5813 76.300 66.928 52.218 1.00 0.00 WT3 H ATOM 43050 H2 TIP3 5813 75.892 67.033 53.672 1.00 0.00 WT3 H ATOM 43051 OH2 TIP3 5814 69.224 46.180 -3.663 1.00 0.00 WT3 O ATOM 43052 H1 TIP3 5814 69.318 46.782 -2.925 1.00 0.00 WT3 H ATOM 43053 H2 TIP3 5814 68.970 45.348 -3.263 1.00 0.00 WT3 H ATOM 43054 OH2 TIP3 5815 46.164 96.590 49.512 1.00 0.00 WT3 O ATOM 43055 H1 TIP3 5815 47.085 96.851 49.525 1.00 0.00 WT3 H ATOM 43056 H2 TIP3 5815 46.113 95.859 50.128 1.00 0.00 WT3 H ATOM 43057 OH2 TIP3 5816 67.825 60.453 26.123 1.00 0.00 WT3 O ATOM 43058 H1 TIP3 5816 67.839 60.994 25.333 1.00 0.00 WT3 H ATOM 43059 H2 TIP3 5816 66.979 60.006 26.091 1.00 0.00 WT3 H ATOM 43060 OH2 TIP3 5817 69.128 54.883 35.403 1.00 0.00 WT3 O ATOM 43061 H1 TIP3 5817 69.336 55.083 34.490 1.00 0.00 WT3 H ATOM 43062 H2 TIP3 5817 68.236 54.536 35.374 1.00 0.00 WT3 H ATOM 43063 OH2 TIP3 5818 36.450 10.241 46.168 1.00 0.00 WT3 O ATOM 43064 H1 TIP3 5818 36.761 9.593 46.800 1.00 0.00 WT3 H ATOM 43065 H2 TIP3 5818 36.923 11.042 46.393 1.00 0.00 WT3 H ATOM 43066 OH2 TIP3 5819 43.747 80.238 7.931 1.00 0.00 WT3 O ATOM 43067 H1 TIP3 5819 44.589 80.451 7.529 1.00 0.00 WT3 H ATOM 43068 H2 TIP3 5819 43.712 80.784 8.717 1.00 0.00 WT3 H ATOM 43069 OH2 TIP3 5820 74.177 78.500 61.025 1.00 0.00 WT3 O ATOM 43070 H1 TIP3 5820 74.328 78.035 61.848 1.00 0.00 WT3 H ATOM 43071 H2 TIP3 5820 73.636 77.904 60.508 1.00 0.00 WT3 H ATOM 43072 OH2 TIP3 5821 32.008 50.896 16.186 1.00 0.00 WT3 O ATOM 43073 H1 TIP3 5821 32.386 51.062 15.323 1.00 0.00 WT3 H ATOM 43074 H2 TIP3 5821 31.547 51.706 16.406 1.00 0.00 WT3 H ATOM 43075 OH2 TIP3 5823 35.464 67.270 13.487 1.00 0.00 WT3 O ATOM 43076 H1 TIP3 5823 36.080 66.667 13.903 1.00 0.00 WT3 H ATOM 43077 H2 TIP3 5823 35.655 68.120 13.885 1.00 0.00 WT3 H ATOM 43078 OH2 TIP3 5827 58.582 1.380 20.935 1.00 0.00 WT3 O ATOM 43079 H1 TIP3 5827 58.196 0.805 20.274 1.00 0.00 WT3 H ATOM 43080 H2 TIP3 5827 58.969 2.097 20.433 1.00 0.00 WT3 H ATOM 43081 OH2 TIP3 5828 84.824 72.486 47.423 1.00 0.00 WT3 O ATOM 43082 H1 TIP3 5828 84.437 73.159 47.982 1.00 0.00 WT3 H ATOM 43083 H2 TIP3 5828 84.075 72.059 47.007 1.00 0.00 WT3 H ATOM 43084 OH2 TIP3 5829 52.725 93.827 -4.514 1.00 0.00 WT3 O ATOM 43085 H1 TIP3 5829 53.377 94.204 -5.105 1.00 0.00 WT3 H ATOM 43086 H2 TIP3 5829 51.971 93.643 -5.075 1.00 0.00 WT3 H ATOM 43087 OH2 TIP3 5830 55.175 74.779 30.505 1.00 0.00 WT3 O ATOM 43088 H1 TIP3 5830 54.632 74.005 30.352 1.00 0.00 WT3 H ATOM 43089 H2 TIP3 5830 54.877 75.119 31.348 1.00 0.00 WT3 H ATOM 43090 OH2 TIP3 5832 20.493 89.511 11.852 1.00 0.00 WT3 O ATOM 43091 H1 TIP3 5832 21.216 88.891 11.757 1.00 0.00 WT3 H ATOM 43092 H2 TIP3 5832 19.975 89.166 12.580 1.00 0.00 WT3 H ATOM 43093 OH2 TIP3 5835 46.610 81.906 53.236 1.00 0.00 WT3 O ATOM 43094 H1 TIP3 5835 46.962 82.755 53.500 1.00 0.00 WT3 H ATOM 43095 H2 TIP3 5835 46.141 81.589 54.008 1.00 0.00 WT3 H ATOM 43096 OH2 TIP3 5836 42.866 17.527 66.428 1.00 0.00 WT3 O ATOM 43097 H1 TIP3 5836 42.426 18.080 67.074 1.00 0.00 WT3 H ATOM 43098 H2 TIP3 5836 42.666 16.632 66.702 1.00 0.00 WT3 H ATOM 43099 OH2 TIP3 5837 38.684 71.942 -7.653 1.00 0.00 WT3 O ATOM 43100 H1 TIP3 5837 38.986 71.253 -7.060 1.00 0.00 WT3 H ATOM 43101 H2 TIP3 5837 37.782 72.112 -7.382 1.00 0.00 WT3 H ATOM 43102 OH2 TIP3 5838 85.007 29.885 47.786 1.00 0.00 WT3 O ATOM 43103 H1 TIP3 5838 84.619 29.289 47.145 1.00 0.00 WT3 H ATOM 43104 H2 TIP3 5838 85.915 29.987 47.500 1.00 0.00 WT3 H ATOM 43105 OH2 TIP3 5839 73.328 27.457 56.693 1.00 0.00 WT3 O ATOM 43106 H1 TIP3 5839 74.041 26.880 56.965 1.00 0.00 WT3 H ATOM 43107 H2 TIP3 5839 73.089 27.147 55.819 1.00 0.00 WT3 H ATOM 43108 OH2 TIP3 5840 63.039 67.961 53.425 1.00 0.00 WT3 O ATOM 43109 H1 TIP3 5840 62.370 67.436 53.863 1.00 0.00 WT3 H ATOM 43110 H2 TIP3 5840 63.208 67.499 52.604 1.00 0.00 WT3 H ATOM 43111 OH2 TIP3 5841 68.882 48.445 -5.117 1.00 0.00 WT3 O ATOM 43112 H1 TIP3 5841 68.073 48.436 -5.627 1.00 0.00 WT3 H ATOM 43113 H2 TIP3 5841 69.024 47.529 -4.876 1.00 0.00 WT3 H ATOM 43114 OH2 TIP3 5842 75.687 80.044 -15.216 1.00 0.00 WT3 O ATOM 43115 H1 TIP3 5842 75.281 79.686 -16.006 1.00 0.00 WT3 H ATOM 43116 H2 TIP3 5842 75.518 79.386 -14.542 1.00 0.00 WT3 H ATOM 43117 OH2 TIP3 5843 47.186 88.592 62.481 1.00 0.00 WT3 O ATOM 43118 H1 TIP3 5843 47.270 89.453 62.891 1.00 0.00 WT3 H ATOM 43119 H2 TIP3 5843 47.909 88.081 62.845 1.00 0.00 WT3 H ATOM 43120 OH2 TIP3 5844 65.216 19.728 20.495 1.00 0.00 WT3 O ATOM 43121 H1 TIP3 5844 65.761 20.412 20.885 1.00 0.00 WT3 H ATOM 43122 H2 TIP3 5844 65.303 19.862 19.551 1.00 0.00 WT3 H ATOM 43123 OH2 TIP3 5845 64.259 53.602 -18.401 1.00 0.00 WT3 O ATOM 43124 H1 TIP3 5845 63.695 54.163 -18.934 1.00 0.00 WT3 H ATOM 43125 H2 TIP3 5845 64.240 54.000 -17.531 1.00 0.00 WT3 H ATOM 43126 OH2 TIP3 5846 85.102 48.273 52.740 1.00 0.00 WT3 O ATOM 43127 H1 TIP3 5846 84.796 48.504 53.617 1.00 0.00 WT3 H ATOM 43128 H2 TIP3 5846 85.895 48.794 52.617 1.00 0.00 WT3 H ATOM 43129 OH2 TIP3 5848 75.364 62.509 -0.099 1.00 0.00 WT3 O ATOM 43130 H1 TIP3 5848 74.679 61.849 0.009 1.00 0.00 WT3 H ATOM 43131 H2 TIP3 5848 74.984 63.154 -0.695 1.00 0.00 WT3 H ATOM 43132 OH2 TIP3 5850 45.704 40.116 66.764 1.00 0.00 WT3 O ATOM 43133 H1 TIP3 5850 45.881 39.178 66.702 1.00 0.00 WT3 H ATOM 43134 H2 TIP3 5850 45.829 40.324 67.690 1.00 0.00 WT3 H ATOM 43135 OH2 TIP3 5851 39.112 5.864 15.315 1.00 0.00 WT3 O ATOM 43136 H1 TIP3 5851 38.897 5.741 16.239 1.00 0.00 WT3 H ATOM 43137 H2 TIP3 5851 38.607 6.632 15.050 1.00 0.00 WT3 H ATOM 43138 OH2 TIP3 5853 26.396 61.760 -9.155 1.00 0.00 WT3 O ATOM 43139 H1 TIP3 5853 25.698 62.110 -9.709 1.00 0.00 WT3 H ATOM 43140 H2 TIP3 5853 25.954 61.142 -8.573 1.00 0.00 WT3 H ATOM 43141 OH2 TIP3 5854 49.914 70.132 56.034 1.00 0.00 WT3 O ATOM 43142 H1 TIP3 5854 49.059 70.557 56.110 1.00 0.00 WT3 H ATOM 43143 H2 TIP3 5854 49.933 69.789 55.140 1.00 0.00 WT3 H ATOM 43144 OH2 TIP3 5855 49.804 83.745 42.866 1.00 0.00 WT3 O ATOM 43145 H1 TIP3 5855 49.523 83.483 41.989 1.00 0.00 WT3 H ATOM 43146 H2 TIP3 5855 50.019 82.923 43.306 1.00 0.00 WT3 H ATOM 43147 OH2 TIP3 5856 58.323 8.429 17.317 1.00 0.00 WT3 O ATOM 43148 H1 TIP3 5856 58.654 8.001 16.527 1.00 0.00 WT3 H ATOM 43149 H2 TIP3 5856 57.482 8.004 17.486 1.00 0.00 WT3 H ATOM 43150 OH2 TIP3 5857 36.051 91.106 28.999 1.00 0.00 WT3 O ATOM 43151 H1 TIP3 5857 36.526 90.291 29.161 1.00 0.00 WT3 H ATOM 43152 H2 TIP3 5857 35.478 90.906 28.258 1.00 0.00 WT3 H ATOM 43153 OH2 TIP3 5858 42.530 78.361 65.771 1.00 0.00 WT3 O ATOM 43154 H1 TIP3 5858 42.715 78.901 66.539 1.00 0.00 WT3 H ATOM 43155 H2 TIP3 5858 42.755 77.471 66.043 1.00 0.00 WT3 H ATOM 43156 OH2 TIP3 5859 28.128 74.423 36.548 1.00 0.00 WT3 O ATOM 43157 H1 TIP3 5859 28.803 74.192 35.911 1.00 0.00 WT3 H ATOM 43158 H2 TIP3 5859 28.037 73.642 37.095 1.00 0.00 WT3 H ATOM 43159 OH2 TIP3 5860 32.942 86.685 7.727 1.00 0.00 WT3 O ATOM 43160 H1 TIP3 5860 33.258 87.549 7.991 1.00 0.00 WT3 H ATOM 43161 H2 TIP3 5860 32.180 86.527 8.285 1.00 0.00 WT3 H ATOM 43162 OH2 TIP3 5861 71.376 65.277 -2.239 1.00 0.00 WT3 O ATOM 43163 H1 TIP3 5861 71.055 65.666 -1.425 1.00 0.00 WT3 H ATOM 43164 H2 TIP3 5861 70.977 64.408 -2.263 1.00 0.00 WT3 H ATOM 43165 OH2 TIP3 5862 77.871 82.621 1.994 1.00 0.00 WT3 O ATOM 43166 H1 TIP3 5862 76.998 82.817 2.332 1.00 0.00 WT3 H ATOM 43167 H2 TIP3 5862 78.466 83.098 2.573 1.00 0.00 WT3 H ATOM 43168 OH2 TIP3 5863 40.874 19.156 -2.899 1.00 0.00 WT3 O ATOM 43169 H1 TIP3 5863 41.414 18.383 -3.065 1.00 0.00 WT3 H ATOM 43170 H2 TIP3 5863 41.346 19.637 -2.219 1.00 0.00 WT3 H ATOM 43171 OH2 TIP3 5864 70.489 56.802 8.594 1.00 0.00 WT3 O ATOM 43172 H1 TIP3 5864 70.126 57.561 8.138 1.00 0.00 WT3 H ATOM 43173 H2 TIP3 5864 70.419 57.025 9.523 1.00 0.00 WT3 H ATOM 43174 OH2 TIP3 5865 73.751 64.992 -0.111 1.00 0.00 WT3 O ATOM 43175 H1 TIP3 5865 73.849 64.815 -1.046 1.00 0.00 WT3 H ATOM 43176 H2 TIP3 5865 72.821 64.849 0.065 1.00 0.00 WT3 H ATOM 43177 OH2 TIP3 5866 72.332 94.534 5.572 1.00 0.00 WT3 O ATOM 43178 H1 TIP3 5866 72.742 94.305 6.406 1.00 0.00 WT3 H ATOM 43179 H2 TIP3 5866 71.392 94.476 5.742 1.00 0.00 WT3 H ATOM 43180 OH2 TIP3 5868 49.761 68.595 12.599 1.00 0.00 WT3 O ATOM 43181 H1 TIP3 5868 50.508 68.042 12.829 1.00 0.00 WT3 H ATOM 43182 H2 TIP3 5868 50.045 69.483 12.812 1.00 0.00 WT3 H ATOM 43183 OH2 TIP3 5870 52.757 18.240 -4.775 1.00 0.00 WT3 O ATOM 43184 H1 TIP3 5870 52.418 19.133 -4.717 1.00 0.00 WT3 H ATOM 43185 H2 TIP3 5870 53.665 18.346 -5.057 1.00 0.00 WT3 H ATOM 43186 OH2 TIP3 5871 31.608 4.688 10.865 1.00 0.00 WT3 O ATOM 43187 H1 TIP3 5871 31.022 5.384 11.161 1.00 0.00 WT3 H ATOM 43188 H2 TIP3 5871 31.191 3.880 11.165 1.00 0.00 WT3 H ATOM 43189 OH2 TIP3 5872 66.096 70.281 -10.313 1.00 0.00 WT3 O ATOM 43190 H1 TIP3 5872 65.335 70.388 -10.883 1.00 0.00 WT3 H ATOM 43191 H2 TIP3 5872 65.867 69.548 -9.741 1.00 0.00 WT3 H ATOM 43192 OH2 TIP3 5874 66.272 91.887 55.977 1.00 0.00 WT3 O ATOM 43193 H1 TIP3 5874 67.173 92.030 55.687 1.00 0.00 WT3 H ATOM 43194 H2 TIP3 5874 66.204 90.939 56.090 1.00 0.00 WT3 H ATOM 43195 OH2 TIP3 5875 47.905 79.756 -4.344 1.00 0.00 WT3 O ATOM 43196 H1 TIP3 5875 48.117 79.876 -3.418 1.00 0.00 WT3 H ATOM 43197 H2 TIP3 5875 48.444 79.015 -4.620 1.00 0.00 WT3 H ATOM 43198 OH2 TIP3 5876 21.701 69.374 18.009 1.00 0.00 WT3 O ATOM 43199 H1 TIP3 5876 22.307 69.288 18.745 1.00 0.00 WT3 H ATOM 43200 H2 TIP3 5876 21.151 68.592 18.059 1.00 0.00 WT3 H ATOM 43201 OH2 TIP3 5877 64.284 90.169 65.857 1.00 0.00 WT3 O ATOM 43202 H1 TIP3 5877 64.825 89.403 66.046 1.00 0.00 WT3 H ATOM 43203 H2 TIP3 5877 64.087 90.542 66.716 1.00 0.00 WT3 H ATOM 43204 OH2 TIP3 5878 32.753 7.280 4.612 1.00 0.00 WT3 O ATOM 43205 H1 TIP3 5878 32.886 6.851 3.766 1.00 0.00 WT3 H ATOM 43206 H2 TIP3 5878 31.872 7.651 4.558 1.00 0.00 WT3 H ATOM 43207 OH2 TIP3 5879 81.728 84.388 39.639 1.00 0.00 WT3 O ATOM 43208 H1 TIP3 5879 81.824 83.931 38.803 1.00 0.00 WT3 H ATOM 43209 H2 TIP3 5879 81.687 85.315 39.402 1.00 0.00 WT3 H ATOM 43210 OH2 TIP3 5880 32.437 63.618 36.488 1.00 0.00 WT3 O ATOM 43211 H1 TIP3 5880 31.938 62.887 36.124 1.00 0.00 WT3 H ATOM 43212 H2 TIP3 5880 33.083 63.827 35.814 1.00 0.00 WT3 H ATOM 43213 OH2 TIP3 5881 74.703 89.680 -14.857 1.00 0.00 WT3 O ATOM 43214 H1 TIP3 5881 74.599 88.736 -14.743 1.00 0.00 WT3 H ATOM 43215 H2 TIP3 5881 73.832 90.039 -14.685 1.00 0.00 WT3 H ATOM 43216 OH2 TIP3 5882 23.437 83.555 53.785 1.00 0.00 WT3 O ATOM 43217 H1 TIP3 5882 22.747 83.939 54.326 1.00 0.00 WT3 H ATOM 43218 H2 TIP3 5882 23.447 84.092 52.993 1.00 0.00 WT3 H ATOM 43219 OH2 TIP3 5883 32.702 70.190 12.228 1.00 0.00 WT3 O ATOM 43220 H1 TIP3 5883 33.465 69.795 11.805 1.00 0.00 WT3 H ATOM 43221 H2 TIP3 5883 32.017 69.524 12.157 1.00 0.00 WT3 H ATOM 43222 OH2 TIP3 5884 73.631 28.137 -8.891 1.00 0.00 WT3 O ATOM 43223 H1 TIP3 5884 73.335 27.251 -8.682 1.00 0.00 WT3 H ATOM 43224 H2 TIP3 5884 72.856 28.684 -8.765 1.00 0.00 WT3 H ATOM 43225 OH2 TIP3 5886 29.271 45.955 -17.733 1.00 0.00 WT3 O ATOM 43226 H1 TIP3 5886 28.957 45.815 -16.840 1.00 0.00 WT3 H ATOM 43227 H2 TIP3 5886 28.753 45.353 -18.267 1.00 0.00 WT3 H ATOM 43228 OH2 TIP3 5887 42.769 79.128 -3.567 1.00 0.00 WT3 O ATOM 43229 H1 TIP3 5887 43.267 79.778 -3.070 1.00 0.00 WT3 H ATOM 43230 H2 TIP3 5887 42.609 78.420 -2.943 1.00 0.00 WT3 H ATOM 43231 OH2 TIP3 5888 41.448 5.172 28.236 1.00 0.00 WT3 O ATOM 43232 H1 TIP3 5888 41.231 5.552 27.385 1.00 0.00 WT3 H ATOM 43233 H2 TIP3 5888 40.797 5.537 28.835 1.00 0.00 WT3 H ATOM 43234 OH2 TIP3 5889 57.756 75.642 2.678 1.00 0.00 WT3 O ATOM 43235 H1 TIP3 5889 58.598 75.566 3.129 1.00 0.00 WT3 H ATOM 43236 H2 TIP3 5889 57.112 75.344 3.321 1.00 0.00 WT3 H ATOM 43237 OH2 TIP3 5890 23.217 58.317 19.919 1.00 0.00 WT3 O ATOM 43238 H1 TIP3 5890 23.351 58.496 20.850 1.00 0.00 WT3 H ATOM 43239 H2 TIP3 5890 22.976 57.392 19.885 1.00 0.00 WT3 H ATOM 43240 OH2 TIP3 5891 62.506 14.215 10.511 1.00 0.00 WT3 O ATOM 43241 H1 TIP3 5891 63.442 14.251 10.312 1.00 0.00 WT3 H ATOM 43242 H2 TIP3 5891 62.427 13.524 11.169 1.00 0.00 WT3 H ATOM 43243 OH2 TIP3 5892 38.832 62.544 -6.751 1.00 0.00 WT3 O ATOM 43244 H1 TIP3 5892 37.958 62.933 -6.803 1.00 0.00 WT3 H ATOM 43245 H2 TIP3 5892 38.704 61.731 -6.262 1.00 0.00 WT3 H ATOM 43246 OH2 TIP3 5893 30.122 81.694 20.784 1.00 0.00 WT3 O ATOM 43247 H1 TIP3 5893 30.076 81.856 21.726 1.00 0.00 WT3 H ATOM 43248 H2 TIP3 5893 30.532 80.832 20.709 1.00 0.00 WT3 H ATOM 43249 OH2 TIP3 5894 27.093 57.508 29.054 1.00 0.00 WT3 O ATOM 43250 H1 TIP3 5894 27.731 57.133 29.661 1.00 0.00 WT3 H ATOM 43251 H2 TIP3 5894 27.618 58.036 28.452 1.00 0.00 WT3 H ATOM 43252 OH2 TIP3 5895 75.791 79.353 14.209 1.00 0.00 WT3 O ATOM 43253 H1 TIP3 5895 76.674 79.310 14.577 1.00 0.00 WT3 H ATOM 43254 H2 TIP3 5895 75.247 78.873 14.834 1.00 0.00 WT3 H ATOM 43255 OH2 TIP3 5898 81.072 67.716 17.900 1.00 0.00 WT3 O ATOM 43256 H1 TIP3 5898 80.175 67.701 18.236 1.00 0.00 WT3 H ATOM 43257 H2 TIP3 5898 81.005 67.343 17.021 1.00 0.00 WT3 H ATOM 43258 OH2 TIP3 5899 52.524 90.013 12.033 1.00 0.00 WT3 O ATOM 43259 H1 TIP3 5899 52.967 89.534 12.733 1.00 0.00 WT3 H ATOM 43260 H2 TIP3 5899 51.609 90.053 12.310 1.00 0.00 WT3 H ATOM 43261 OH2 TIP3 5900 70.487 56.703 -2.471 1.00 0.00 WT3 O ATOM 43262 H1 TIP3 5900 70.240 56.448 -1.582 1.00 0.00 WT3 H ATOM 43263 H2 TIP3 5900 71.416 56.481 -2.535 1.00 0.00 WT3 H ATOM 43264 OH2 TIP3 5901 66.432 10.666 25.883 1.00 0.00 WT3 O ATOM 43265 H1 TIP3 5901 66.721 9.756 25.944 1.00 0.00 WT3 H ATOM 43266 H2 TIP3 5901 66.094 10.870 26.756 1.00 0.00 WT3 H ATOM 43267 OH2 TIP3 5902 87.257 40.467 1.817 1.00 0.00 WT3 O ATOM 43268 H1 TIP3 5902 86.836 40.470 0.957 1.00 0.00 WT3 H ATOM 43269 H2 TIP3 5902 87.702 39.620 1.862 1.00 0.00 WT3 H ATOM 43270 OH2 TIP3 5903 39.807 90.628 66.355 1.00 0.00 WT3 O ATOM 43271 H1 TIP3 5903 40.335 91.161 65.760 1.00 0.00 WT3 H ATOM 43272 H2 TIP3 5903 40.236 89.772 66.354 1.00 0.00 WT3 H ATOM 43273 OH2 TIP3 5906 58.686 70.040 50.326 1.00 0.00 WT3 O ATOM 43274 H1 TIP3 5906 58.704 69.109 50.104 1.00 0.00 WT3 H ATOM 43275 H2 TIP3 5906 59.607 70.294 50.373 1.00 0.00 WT3 H ATOM 43276 OH2 TIP3 5907 72.459 74.773 32.791 1.00 0.00 WT3 O ATOM 43277 H1 TIP3 5907 71.702 75.284 32.508 1.00 0.00 WT3 H ATOM 43278 H2 TIP3 5907 73.215 75.293 32.519 1.00 0.00 WT3 H ATOM 43279 OH2 TIP3 5909 65.835 79.656 38.508 1.00 0.00 WT3 O ATOM 43280 H1 TIP3 5909 65.003 79.609 38.036 1.00 0.00 WT3 H ATOM 43281 H2 TIP3 5909 66.127 78.746 38.570 1.00 0.00 WT3 H ATOM 43282 OH2 TIP3 5910 88.712 73.086 53.828 1.00 0.00 WT3 O ATOM 43283 H1 TIP3 5910 88.768 73.860 54.388 1.00 0.00 WT3 H ATOM 43284 H2 TIP3 5910 89.623 72.857 53.643 1.00 0.00 WT3 H ATOM 43285 OH2 TIP3 5911 82.911 45.250 12.659 1.00 0.00 WT3 O ATOM 43286 H1 TIP3 5911 82.997 45.524 11.746 1.00 0.00 WT3 H ATOM 43287 H2 TIP3 5911 82.162 45.747 12.989 1.00 0.00 WT3 H ATOM 43288 OH2 TIP3 5912 70.270 9.827 11.151 1.00 0.00 WT3 O ATOM 43289 H1 TIP3 5912 70.596 8.961 11.394 1.00 0.00 WT3 H ATOM 43290 H2 TIP3 5912 69.338 9.803 11.369 1.00 0.00 WT3 H ATOM 43291 OH2 TIP3 5913 23.853 77.521 31.422 1.00 0.00 WT3 O ATOM 43292 H1 TIP3 5913 24.342 77.912 30.698 1.00 0.00 WT3 H ATOM 43293 H2 TIP3 5913 23.833 76.585 31.221 1.00 0.00 WT3 H ATOM 43294 OH2 TIP3 5916 75.850 92.728 -11.835 1.00 0.00 WT3 O ATOM 43295 H1 TIP3 5916 75.107 92.128 -11.903 1.00 0.00 WT3 H ATOM 43296 H2 TIP3 5916 76.567 92.272 -12.276 1.00 0.00 WT3 H ATOM 43297 OH2 TIP3 5917 22.438 96.154 -12.012 1.00 0.00 WT3 O ATOM 43298 H1 TIP3 5917 23.327 96.353 -12.306 1.00 0.00 WT3 H ATOM 43299 H2 TIP3 5917 22.557 95.702 -11.177 1.00 0.00 WT3 H ATOM 43300 OH2 TIP3 5918 44.387 61.742 63.019 1.00 0.00 WT3 O ATOM 43301 H1 TIP3 5918 43.589 62.266 62.943 1.00 0.00 WT3 H ATOM 43302 H2 TIP3 5918 44.110 60.947 63.475 1.00 0.00 WT3 H ATOM 43303 OH2 TIP3 5919 87.410 75.567 0.639 1.00 0.00 WT3 O ATOM 43304 H1 TIP3 5919 87.893 76.309 0.275 1.00 0.00 WT3 H ATOM 43305 H2 TIP3 5919 87.764 75.460 1.522 1.00 0.00 WT3 H ATOM 43306 OH2 TIP3 5920 73.493 34.041 46.494 1.00 0.00 WT3 O ATOM 43307 H1 TIP3 5920 73.009 33.366 46.019 1.00 0.00 WT3 H ATOM 43308 H2 TIP3 5920 73.708 34.695 45.830 1.00 0.00 WT3 H ATOM 43309 OH2 TIP3 5921 49.460 47.470 48.055 1.00 0.00 WT3 O ATOM 43310 H1 TIP3 5921 50.210 48.037 48.238 1.00 0.00 WT3 H ATOM 43311 H2 TIP3 5921 48.853 48.025 47.567 1.00 0.00 WT3 H ATOM 43312 OH2 TIP3 5922 63.843 56.819 27.002 1.00 0.00 WT3 O ATOM 43313 H1 TIP3 5922 63.084 56.295 26.747 1.00 0.00 WT3 H ATOM 43314 H2 TIP3 5922 63.526 57.722 26.987 1.00 0.00 WT3 H ATOM 43315 OH2 TIP3 5923 34.921 48.764 6.012 1.00 0.00 WT3 O ATOM 43316 H1 TIP3 5923 34.774 48.027 5.419 1.00 0.00 WT3 H ATOM 43317 H2 TIP3 5923 34.991 49.525 5.437 1.00 0.00 WT3 H ATOM 43318 OH2 TIP3 5924 56.119 17.124 5.870 1.00 0.00 WT3 O ATOM 43319 H1 TIP3 5924 56.762 17.660 5.406 1.00 0.00 WT3 H ATOM 43320 H2 TIP3 5924 56.483 16.239 5.845 1.00 0.00 WT3 H ATOM 43321 OH2 TIP3 5926 66.286 78.415 -4.236 1.00 0.00 WT3 O ATOM 43322 H1 TIP3 5926 65.387 78.113 -4.103 1.00 0.00 WT3 H ATOM 43323 H2 TIP3 5926 66.744 77.653 -4.591 1.00 0.00 WT3 H ATOM 43324 OH2 TIP3 5931 32.773 83.765 60.647 1.00 0.00 WT3 O ATOM 43325 H1 TIP3 5931 32.089 84.434 60.679 1.00 0.00 WT3 H ATOM 43326 H2 TIP3 5931 33.039 83.650 61.560 1.00 0.00 WT3 H ATOM 43327 OH2 TIP3 5932 29.602 44.910 44.599 1.00 0.00 WT3 O ATOM 43328 H1 TIP3 5932 29.545 45.155 45.523 1.00 0.00 WT3 H ATOM 43329 H2 TIP3 5932 30.491 45.154 44.340 1.00 0.00 WT3 H ATOM 43330 OH2 TIP3 5934 66.276 4.366 66.918 1.00 0.00 WT3 O ATOM 43331 H1 TIP3 5934 66.794 4.461 67.718 1.00 0.00 WT3 H ATOM 43332 H2 TIP3 5934 66.864 4.648 66.218 1.00 0.00 WT3 H ATOM 43333 OH2 TIP3 5935 60.341 89.065 11.610 1.00 0.00 WT3 O ATOM 43334 H1 TIP3 5935 60.769 88.385 11.091 1.00 0.00 WT3 H ATOM 43335 H2 TIP3 5935 59.617 88.616 12.045 1.00 0.00 WT3 H ATOM 43336 OH2 TIP3 5936 33.081 48.321 8.519 1.00 0.00 WT3 O ATOM 43337 H1 TIP3 5936 33.534 48.487 7.691 1.00 0.00 WT3 H ATOM 43338 H2 TIP3 5936 32.867 47.388 8.491 1.00 0.00 WT3 H ATOM 43339 OH2 TIP3 5938 63.573 30.799 10.368 1.00 0.00 WT3 O ATOM 43340 H1 TIP3 5938 62.961 30.726 11.101 1.00 0.00 WT3 H ATOM 43341 H2 TIP3 5938 63.031 31.083 9.631 1.00 0.00 WT3 H ATOM 43342 OH2 TIP3 5939 26.434 71.907 58.200 1.00 0.00 WT3 O ATOM 43343 H1 TIP3 5939 26.740 71.403 57.446 1.00 0.00 WT3 H ATOM 43344 H2 TIP3 5939 27.233 72.143 58.672 1.00 0.00 WT3 H ATOM 43345 OH2 TIP3 5942 24.365 76.307 0.986 1.00 0.00 WT3 O ATOM 43346 H1 TIP3 5942 24.767 76.339 0.118 1.00 0.00 WT3 H ATOM 43347 H2 TIP3 5942 23.423 76.306 0.815 1.00 0.00 WT3 H ATOM 43348 OH2 TIP3 5945 71.771 73.902 -18.477 1.00 0.00 WT3 O ATOM 43349 H1 TIP3 5945 72.445 73.825 -19.153 1.00 0.00 WT3 H ATOM 43350 H2 TIP3 5945 70.950 73.721 -18.934 1.00 0.00 WT3 H ATOM 43351 OH2 TIP3 5948 72.877 91.790 11.195 1.00 0.00 WT3 O ATOM 43352 H1 TIP3 5948 73.299 92.578 10.853 1.00 0.00 WT3 H ATOM 43353 H2 TIP3 5948 72.886 91.905 12.145 1.00 0.00 WT3 H ATOM 43354 OH2 TIP3 5949 37.398 16.037 49.136 1.00 0.00 WT3 O ATOM 43355 H1 TIP3 5949 38.089 16.623 48.827 1.00 0.00 WT3 H ATOM 43356 H2 TIP3 5949 36.640 16.608 49.266 1.00 0.00 WT3 H ATOM 43357 OH2 TIP3 5951 36.592 55.305 3.012 1.00 0.00 WT3 O ATOM 43358 H1 TIP3 5951 37.037 54.860 3.734 1.00 0.00 WT3 H ATOM 43359 H2 TIP3 5951 37.121 56.085 2.848 1.00 0.00 WT3 H ATOM 43360 OH2 TIP3 5952 70.121 35.824 -3.514 1.00 0.00 WT3 O ATOM 43361 H1 TIP3 5952 70.884 36.033 -2.976 1.00 0.00 WT3 H ATOM 43362 H2 TIP3 5952 69.499 36.529 -3.335 1.00 0.00 WT3 H ATOM 43363 OH2 TIP3 5953 74.358 34.528 57.533 1.00 0.00 WT3 O ATOM 43364 H1 TIP3 5953 74.562 33.622 57.763 1.00 0.00 WT3 H ATOM 43365 H2 TIP3 5953 75.210 34.931 57.364 1.00 0.00 WT3 H ATOM 43366 OH2 TIP3 5954 29.209 56.863 41.456 1.00 0.00 WT3 O ATOM 43367 H1 TIP3 5954 28.522 56.206 41.565 1.00 0.00 WT3 H ATOM 43368 H2 TIP3 5954 29.552 56.707 40.576 1.00 0.00 WT3 H ATOM 43369 OH2 TIP3 5955 83.109 24.272 51.651 1.00 0.00 WT3 O ATOM 43370 H1 TIP3 5955 82.578 24.518 50.893 1.00 0.00 WT3 H ATOM 43371 H2 TIP3 5955 83.088 23.315 51.657 1.00 0.00 WT3 H ATOM 43372 OH2 TIP3 5956 42.737 82.019 45.531 1.00 0.00 WT3 O ATOM 43373 H1 TIP3 5956 42.591 81.366 44.846 1.00 0.00 WT3 H ATOM 43374 H2 TIP3 5956 41.876 82.145 45.929 1.00 0.00 WT3 H ATOM 43375 OH2 TIP3 5957 68.816 87.513 52.672 1.00 0.00 WT3 O ATOM 43376 H1 TIP3 5957 68.834 87.596 51.719 1.00 0.00 WT3 H ATOM 43377 H2 TIP3 5957 68.128 86.870 52.844 1.00 0.00 WT3 H ATOM 43378 OH2 TIP3 5959 31.829 25.756 5.221 1.00 0.00 WT3 O ATOM 43379 H1 TIP3 5959 31.773 25.585 6.161 1.00 0.00 WT3 H ATOM 43380 H2 TIP3 5959 30.935 25.980 4.964 1.00 0.00 WT3 H ATOM 43381 OH2 TIP3 5965 80.942 82.350 20.913 1.00 0.00 WT3 O ATOM 43382 H1 TIP3 5965 81.224 81.843 21.674 1.00 0.00 WT3 H ATOM 43383 H2 TIP3 5965 81.675 82.938 20.732 1.00 0.00 WT3 H ATOM 43384 OH2 TIP3 5971 86.666 3.627 46.749 1.00 0.00 WT3 O ATOM 43385 H1 TIP3 5971 86.385 4.522 46.941 1.00 0.00 WT3 H ATOM 43386 H2 TIP3 5971 85.881 3.096 46.882 1.00 0.00 WT3 H ATOM 43387 OH2 TIP3 5972 36.788 86.556 -2.528 1.00 0.00 WT3 O ATOM 43388 H1 TIP3 5972 36.512 87.346 -2.062 1.00 0.00 WT3 H ATOM 43389 H2 TIP3 5972 36.786 86.810 -3.451 1.00 0.00 WT3 H ATOM 43390 OH2 TIP3 5975 82.319 71.466 47.094 1.00 0.00 WT3 O ATOM 43391 H1 TIP3 5975 81.899 71.729 47.913 1.00 0.00 WT3 H ATOM 43392 H2 TIP3 5975 81.906 70.632 46.869 1.00 0.00 WT3 H ATOM 43393 OH2 TIP3 5977 71.046 90.781 2.175 1.00 0.00 WT3 O ATOM 43394 H1 TIP3 5977 70.506 91.544 2.383 1.00 0.00 WT3 H ATOM 43395 H2 TIP3 5977 70.715 90.477 1.330 1.00 0.00 WT3 H ATOM 43396 OH2 TIP3 5981 69.045 2.819 48.996 1.00 0.00 WT3 O ATOM 43397 H1 TIP3 5981 68.157 2.491 48.854 1.00 0.00 WT3 H ATOM 43398 H2 TIP3 5981 69.607 2.057 48.857 1.00 0.00 WT3 H ATOM 43399 OH2 TIP3 5983 66.136 71.086 62.930 1.00 0.00 WT3 O ATOM 43400 H1 TIP3 5983 65.484 71.683 62.562 1.00 0.00 WT3 H ATOM 43401 H2 TIP3 5983 65.669 70.618 63.622 1.00 0.00 WT3 H ATOM 43402 OH2 TIP3 5985 48.762 1.801 34.702 1.00 0.00 WT3 O ATOM 43403 H1 TIP3 5985 49.024 1.671 35.614 1.00 0.00 WT3 H ATOM 43404 H2 TIP3 5985 49.554 2.115 34.267 1.00 0.00 WT3 H ATOM 43405 OH2 TIP3 5994 76.389 42.607 5.950 1.00 0.00 WT3 O ATOM 43406 H1 TIP3 5994 76.257 43.555 5.966 1.00 0.00 WT3 H ATOM 43407 H2 TIP3 5994 75.836 42.300 5.232 1.00 0.00 WT3 H ATOM 43408 OH2 TIP3 5996 44.759 86.129 43.957 1.00 0.00 WT3 O ATOM 43409 H1 TIP3 5996 44.359 86.998 43.940 1.00 0.00 WT3 H ATOM 43410 H2 TIP3 5996 44.038 85.529 43.767 1.00 0.00 WT3 H ATOM 43411 OH2 TIP3 6004 54.411 82.783 -9.467 1.00 0.00 WT3 O ATOM 43412 H1 TIP3 6004 53.549 82.749 -9.881 1.00 0.00 WT3 H ATOM 43413 H2 TIP3 6004 54.770 81.904 -9.587 1.00 0.00 WT3 H ATOM 43414 OH2 TIP3 6090 55.109 40.133 -8.359 1.00 0.00 WT3 O ATOM 43415 H1 TIP3 6090 54.251 40.025 -7.951 1.00 0.00 WT3 H ATOM 43416 H2 TIP3 6090 55.621 40.624 -7.716 1.00 0.00 WT3 H ATOM 43417 OH2 TIP3 6091 73.877 60.971 -3.684 1.00 0.00 WT3 O ATOM 43418 H1 TIP3 6091 74.191 60.114 -3.974 1.00 0.00 WT3 H ATOM 43419 H2 TIP3 6091 73.040 60.788 -3.258 1.00 0.00 WT3 H ATOM 43420 OH2 TIP3 6107 51.734 31.377 37.412 1.00 0.00 WT3 O ATOM 43421 H1 TIP3 6107 52.304 30.718 37.809 1.00 0.00 WT3 H ATOM 43422 H2 TIP3 6107 51.014 30.875 37.032 1.00 0.00 WT3 H ATOM 43423 OH2 TIP3 6110 66.495 62.693 -18.704 1.00 0.00 WT3 O ATOM 43424 H1 TIP3 6110 66.662 61.769 -18.520 1.00 0.00 WT3 H ATOM 43425 H2 TIP3 6110 65.559 62.806 -18.542 1.00 0.00 WT3 H ATOM 43426 OH2 TIP3 6126 51.490 76.247 41.937 1.00 0.00 WT3 O ATOM 43427 H1 TIP3 6126 51.002 75.527 41.537 1.00 0.00 WT3 H ATOM 43428 H2 TIP3 6126 51.958 76.654 41.208 1.00 0.00 WT3 H ATOM 43429 OH2 TIP3 6131 27.449 85.465 -12.680 1.00 0.00 WT3 O ATOM 43430 H1 TIP3 6131 28.301 85.061 -12.850 1.00 0.00 WT3 H ATOM 43431 H2 TIP3 6131 27.129 85.722 -13.545 1.00 0.00 WT3 H ATOM 43432 OH2 TIP3 6134 62.244 39.074 40.098 1.00 0.00 WT3 O ATOM 43433 H1 TIP3 6134 61.462 39.341 39.615 1.00 0.00 WT3 H ATOM 43434 H2 TIP3 6134 62.897 38.898 39.420 1.00 0.00 WT3 H ATOM 43435 OH2 TIP3 6136 60.848 95.335 22.066 1.00 0.00 WT3 O ATOM 43436 H1 TIP3 6136 60.719 94.747 21.322 1.00 0.00 WT3 H ATOM 43437 H2 TIP3 6136 61.795 95.471 22.102 1.00 0.00 WT3 H ATOM 43438 OH2 TIP3 6138 36.209 68.175 -14.784 1.00 0.00 WT3 O ATOM 43439 H1 TIP3 6138 36.826 68.829 -15.111 1.00 0.00 WT3 H ATOM 43440 H2 TIP3 6138 36.676 67.343 -14.862 1.00 0.00 WT3 H ATOM 43441 OH2 TIP3 6146 28.867 59.372 44.451 1.00 0.00 WT3 O ATOM 43442 H1 TIP3 6146 28.173 59.263 45.101 1.00 0.00 WT3 H ATOM 43443 H2 TIP3 6146 28.945 60.320 44.340 1.00 0.00 WT3 H ATOM 43444 OH2 TIP3 6147 72.605 9.701 -11.094 1.00 0.00 WT3 O ATOM 43445 H1 TIP3 6147 73.517 9.782 -11.375 1.00 0.00 WT3 H ATOM 43446 H2 TIP3 6147 72.533 8.804 -10.769 1.00 0.00 WT3 H ATOM 43447 OH2 TIP3 6157 89.494 67.129 -19.003 1.00 0.00 WT3 O ATOM 43448 H1 TIP3 6157 90.258 67.697 -19.101 1.00 0.00 WT3 H ATOM 43449 H2 TIP3 6157 89.037 67.473 -18.235 1.00 0.00 WT3 H ATOM 43450 OH2 TIP3 6158 35.152 29.356 4.811 1.00 0.00 WT3 O ATOM 43451 H1 TIP3 6158 35.657 28.659 5.230 1.00 0.00 WT3 H ATOM 43452 H2 TIP3 6158 34.253 29.029 4.803 1.00 0.00 WT3 H ATOM 43453 OH2 TIP3 6163 51.802 76.823 -7.051 1.00 0.00 WT3 O ATOM 43454 H1 TIP3 6163 51.802 77.624 -7.575 1.00 0.00 WT3 H ATOM 43455 H2 TIP3 6163 51.098 76.952 -6.415 1.00 0.00 WT3 H ATOM 43456 OH2 TIP3 6166 75.769 6.915 55.765 1.00 0.00 WT3 O ATOM 43457 H1 TIP3 6166 75.564 7.211 54.878 1.00 0.00 WT3 H ATOM 43458 H2 TIP3 6166 74.947 7.014 56.247 1.00 0.00 WT3 H ATOM 43459 OH2 TIP3 6174 90.465 47.953 13.079 1.00 0.00 WT3 O ATOM 43460 H1 TIP3 6174 90.503 47.125 12.601 1.00 0.00 WT3 H ATOM 43461 H2 TIP3 6174 90.964 48.566 12.538 1.00 0.00 WT3 H ATOM 43462 OH2 TIP3 6176 87.148 3.983 -8.160 1.00 0.00 WT3 O ATOM 43463 H1 TIP3 6176 87.038 3.039 -8.048 1.00 0.00 WT3 H ATOM 43464 H2 TIP3 6176 87.306 4.313 -7.276 1.00 0.00 WT3 H ATOM 43465 OH2 TIP3 6177 81.135 30.557 29.469 1.00 0.00 WT3 O ATOM 43466 H1 TIP3 6177 80.218 30.658 29.214 1.00 0.00 WT3 H ATOM 43467 H2 TIP3 6177 81.281 31.246 30.117 1.00 0.00 WT3 H ATOM 43468 OH2 TIP3 6178 39.541 75.498 5.118 1.00 0.00 WT3 O ATOM 43469 H1 TIP3 6178 40.450 75.786 5.205 1.00 0.00 WT3 H ATOM 43470 H2 TIP3 6178 39.044 76.103 5.669 1.00 0.00 WT3 H ATOM 43471 OH2 TIP3 6179 48.179 51.444 36.483 1.00 0.00 WT3 O ATOM 43472 H1 TIP3 6179 48.123 50.600 36.932 1.00 0.00 WT3 H ATOM 43473 H2 TIP3 6179 48.890 51.334 35.852 1.00 0.00 WT3 H ATOM 43474 OH2 TIP3 6181 47.674 35.449 15.395 1.00 0.00 WT3 O ATOM 43475 H1 TIP3 6181 47.725 35.194 16.316 1.00 0.00 WT3 H ATOM 43476 H2 TIP3 6181 47.093 34.800 14.998 1.00 0.00 WT3 H ATOM 43477 OH2 TIP3 6183 51.723 34.887 -5.655 1.00 0.00 WT3 O ATOM 43478 H1 TIP3 6183 51.858 35.835 -5.646 1.00 0.00 WT3 H ATOM 43479 H2 TIP3 6183 50.822 34.770 -5.355 1.00 0.00 WT3 H ATOM 43480 OH2 TIP3 6189 73.201 74.399 49.144 1.00 0.00 WT3 O ATOM 43481 H1 TIP3 6189 72.798 75.229 48.890 1.00 0.00 WT3 H ATOM 43482 H2 TIP3 6189 72.604 73.730 48.808 1.00 0.00 WT3 H ATOM 43483 OH2 TIP3 6192 28.374 7.070 61.866 1.00 0.00 WT3 O ATOM 43484 H1 TIP3 6192 29.203 7.520 61.705 1.00 0.00 WT3 H ATOM 43485 H2 TIP3 6192 28.629 6.204 62.185 1.00 0.00 WT3 H ATOM 43486 OH2 TIP3 6194 64.190 75.761 40.262 1.00 0.00 WT3 O ATOM 43487 H1 TIP3 6194 63.677 75.825 39.457 1.00 0.00 WT3 H ATOM 43488 H2 TIP3 6194 64.839 75.080 40.080 1.00 0.00 WT3 H ATOM 43489 OH2 TIP3 6195 74.671 19.082 -18.545 1.00 0.00 WT3 O ATOM 43490 H1 TIP3 6195 75.392 19.211 -19.162 1.00 0.00 WT3 H ATOM 43491 H2 TIP3 6195 73.912 18.898 -19.099 1.00 0.00 WT3 H ATOM 43492 OH2 TIP3 6198 49.388 35.270 -3.593 1.00 0.00 WT3 O ATOM 43493 H1 TIP3 6198 49.357 35.478 -2.659 1.00 0.00 WT3 H ATOM 43494 H2 TIP3 6198 48.540 35.558 -3.931 1.00 0.00 WT3 H ATOM 43495 OH2 TIP3 6199 38.246 46.451 32.435 1.00 0.00 WT3 O ATOM 43496 H1 TIP3 6199 39.047 46.552 31.921 1.00 0.00 WT3 H ATOM 43497 H2 TIP3 6199 38.363 47.040 33.180 1.00 0.00 WT3 H ATOM 43498 OH2 TIP3 6200 84.307 63.759 -19.472 1.00 0.00 WT3 O ATOM 43499 H1 TIP3 6200 84.434 63.879 -18.531 1.00 0.00 WT3 H ATOM 43500 H2 TIP3 6200 84.002 64.611 -19.784 1.00 0.00 WT3 H ATOM 43501 OH2 TIP3 6202 41.830 14.550 61.384 1.00 0.00 WT3 O ATOM 43502 H1 TIP3 6202 41.892 14.321 60.457 1.00 0.00 WT3 H ATOM 43503 H2 TIP3 6202 40.900 14.461 61.592 1.00 0.00 WT3 H ATOM 43504 OH2 TIP3 6203 71.744 28.286 -3.225 1.00 0.00 WT3 O ATOM 43505 H1 TIP3 6203 70.824 28.156 -3.455 1.00 0.00 WT3 H ATOM 43506 H2 TIP3 6203 71.733 28.993 -2.580 1.00 0.00 WT3 H ATOM 43507 OH2 TIP3 6205 85.902 83.398 61.391 1.00 0.00 WT3 O ATOM 43508 H1 TIP3 6205 85.581 83.060 62.227 1.00 0.00 WT3 H ATOM 43509 H2 TIP3 6205 85.541 82.801 60.736 1.00 0.00 WT3 H ATOM 43510 OH2 TIP3 6207 70.174 50.633 -5.470 1.00 0.00 WT3 O ATOM 43511 H1 TIP3 6207 69.578 49.900 -5.313 1.00 0.00 WT3 H ATOM 43512 H2 TIP3 6207 70.257 51.062 -4.618 1.00 0.00 WT3 H ATOM 43513 OH2 TIP3 6212 77.691 83.788 10.859 1.00 0.00 WT3 O ATOM 43514 H1 TIP3 6212 78.158 83.178 10.289 1.00 0.00 WT3 H ATOM 43515 H2 TIP3 6212 77.759 84.633 10.414 1.00 0.00 WT3 H ATOM 43516 OH2 TIP3 6213 62.366 89.581 37.894 1.00 0.00 WT3 O ATOM 43517 H1 TIP3 6213 61.715 90.029 37.354 1.00 0.00 WT3 H ATOM 43518 H2 TIP3 6213 61.876 88.889 38.337 1.00 0.00 WT3 H ATOM 43519 OH2 TIP3 6214 33.933 89.629 21.903 1.00 0.00 WT3 O ATOM 43520 H1 TIP3 6214 34.060 90.016 21.037 1.00 0.00 WT3 H ATOM 43521 H2 TIP3 6214 34.440 88.818 21.880 1.00 0.00 WT3 H ATOM 43522 OH2 TIP3 6215 67.518 54.111 -15.053 1.00 0.00 WT3 O ATOM 43523 H1 TIP3 6215 68.465 54.202 -15.159 1.00 0.00 WT3 H ATOM 43524 H2 TIP3 6215 67.331 53.214 -15.329 1.00 0.00 WT3 H ATOM 43525 OH2 TIP3 6216 62.778 45.190 46.446 1.00 0.00 WT3 O ATOM 43526 H1 TIP3 6216 63.614 44.737 46.561 1.00 0.00 WT3 H ATOM 43527 H2 TIP3 6216 62.601 45.131 45.507 1.00 0.00 WT3 H ATOM 43528 OH2 TIP3 6217 88.341 95.482 -6.080 1.00 0.00 WT3 O ATOM 43529 H1 TIP3 6217 87.846 95.367 -6.891 1.00 0.00 WT3 H ATOM 43530 H2 TIP3 6217 88.130 94.706 -5.559 1.00 0.00 WT3 H ATOM 43531 OH2 TIP3 6218 67.318 83.190 -2.084 1.00 0.00 WT3 O ATOM 43532 H1 TIP3 6218 66.655 83.777 -2.449 1.00 0.00 WT3 H ATOM 43533 H2 TIP3 6218 66.953 82.313 -2.204 1.00 0.00 WT3 H ATOM 43534 OH2 TIP3 6219 20.927 57.621 63.116 1.00 0.00 WT3 O ATOM 43535 H1 TIP3 6219 21.233 58.524 63.194 1.00 0.00 WT3 H ATOM 43536 H2 TIP3 6219 20.028 57.698 62.799 1.00 0.00 WT3 H ATOM 43537 OH2 TIP3 6220 84.455 50.924 23.096 1.00 0.00 WT3 O ATOM 43538 H1 TIP3 6220 84.062 50.768 23.955 1.00 0.00 WT3 H ATOM 43539 H2 TIP3 6220 83.784 51.402 22.609 1.00 0.00 WT3 H ATOM 43540 OH2 TIP3 6221 77.133 42.821 59.101 1.00 0.00 WT3 O ATOM 43541 H1 TIP3 6221 77.505 42.997 58.237 1.00 0.00 WT3 H ATOM 43542 H2 TIP3 6221 77.710 42.158 59.480 1.00 0.00 WT3 H ATOM 43543 OH2 TIP3 6223 25.725 92.764 12.794 1.00 0.00 WT3 O ATOM 43544 H1 TIP3 6223 25.383 91.891 12.601 1.00 0.00 WT3 H ATOM 43545 H2 TIP3 6223 25.476 92.923 13.705 1.00 0.00 WT3 H ATOM 43546 OH2 TIP3 6224 72.403 58.616 20.455 1.00 0.00 WT3 O ATOM 43547 H1 TIP3 6224 71.671 58.025 20.275 1.00 0.00 WT3 H ATOM 43548 H2 TIP3 6224 72.113 59.465 20.121 1.00 0.00 WT3 H ATOM 43549 OH2 TIP3 6225 66.872 54.273 27.488 1.00 0.00 WT3 O ATOM 43550 H1 TIP3 6225 66.297 53.885 26.828 1.00 0.00 WT3 H ATOM 43551 H2 TIP3 6225 66.643 55.203 27.488 1.00 0.00 WT3 H ATOM 43552 OH2 TIP3 6227 78.928 43.428 30.352 1.00 0.00 WT3 O ATOM 43553 H1 TIP3 6227 78.661 42.915 31.115 1.00 0.00 WT3 H ATOM 43554 H2 TIP3 6227 78.484 43.010 29.614 1.00 0.00 WT3 H ATOM 43555 OH2 TIP3 6230 82.038 75.176 12.279 1.00 0.00 WT3 O ATOM 43556 H1 TIP3 6230 82.859 75.519 12.630 1.00 0.00 WT3 H ATOM 43557 H2 TIP3 6230 82.280 74.784 11.439 1.00 0.00 WT3 H ATOM 43558 OH2 TIP3 6231 62.320 90.393 25.003 1.00 0.00 WT3 O ATOM 43559 H1 TIP3 6231 61.640 91.034 24.795 1.00 0.00 WT3 H ATOM 43560 H2 TIP3 6231 61.950 89.553 24.729 1.00 0.00 WT3 H ATOM 43561 OH2 TIP3 6232 90.110 71.580 46.188 1.00 0.00 WT3 O ATOM 43562 H1 TIP3 6232 89.470 72.276 46.339 1.00 0.00 WT3 H ATOM 43563 H2 TIP3 6232 89.581 70.799 46.025 1.00 0.00 WT3 H ATOM 43564 OH2 TIP3 6233 34.181 72.952 -8.595 1.00 0.00 WT3 O ATOM 43565 H1 TIP3 6233 33.746 73.755 -8.309 1.00 0.00 WT3 H ATOM 43566 H2 TIP3 6233 34.122 72.974 -9.550 1.00 0.00 WT3 H ATOM 43567 OH2 TIP3 6235 42.288 80.376 61.225 1.00 0.00 WT3 O ATOM 43568 H1 TIP3 6235 41.578 80.466 60.590 1.00 0.00 WT3 H ATOM 43569 H2 TIP3 6235 42.004 80.891 61.980 1.00 0.00 WT3 H ATOM 43570 OH2 TIP3 6236 81.096 84.599 18.430 1.00 0.00 WT3 O ATOM 43571 H1 TIP3 6236 81.247 83.672 18.248 1.00 0.00 WT3 H ATOM 43572 H2 TIP3 6236 80.399 84.605 19.086 1.00 0.00 WT3 H ATOM 43573 OH2 TIP3 6237 75.261 18.747 4.699 1.00 0.00 WT3 O ATOM 43574 H1 TIP3 6237 76.075 18.697 5.201 1.00 0.00 WT3 H ATOM 43575 H2 TIP3 6237 74.748 19.424 5.140 1.00 0.00 WT3 H ATOM 43576 OH2 TIP3 6238 36.518 37.896 47.990 1.00 0.00 WT3 O ATOM 43577 H1 TIP3 6238 37.397 37.755 48.342 1.00 0.00 WT3 H ATOM 43578 H2 TIP3 6238 36.616 37.783 47.045 1.00 0.00 WT3 H ATOM 43579 OH2 TIP3 6240 70.006 94.388 53.978 1.00 0.00 WT3 O ATOM 43580 H1 TIP3 6240 70.340 93.492 53.957 1.00 0.00 WT3 H ATOM 43581 H2 TIP3 6240 70.590 94.877 53.398 1.00 0.00 WT3 H ATOM 43582 OH2 TIP3 6241 81.237 95.666 10.113 1.00 0.00 WT3 O ATOM 43583 H1 TIP3 6241 81.649 96.255 10.745 1.00 0.00 WT3 H ATOM 43584 H2 TIP3 6241 81.204 94.820 10.559 1.00 0.00 WT3 H ATOM 43585 OH2 TIP3 6242 26.816 33.298 12.660 1.00 0.00 WT3 O ATOM 43586 H1 TIP3 6242 27.622 33.029 12.219 1.00 0.00 WT3 H ATOM 43587 H2 TIP3 6242 26.817 34.254 12.598 1.00 0.00 WT3 H ATOM 43588 OH2 TIP3 6243 50.551 66.018 54.298 1.00 0.00 WT3 O ATOM 43589 H1 TIP3 6243 50.473 65.306 54.933 1.00 0.00 WT3 H ATOM 43590 H2 TIP3 6243 49.664 66.133 53.956 1.00 0.00 WT3 H ATOM 43591 OH2 TIP3 6245 78.456 90.505 38.965 1.00 0.00 WT3 O ATOM 43592 H1 TIP3 6245 78.277 91.379 39.312 1.00 0.00 WT3 H ATOM 43593 H2 TIP3 6245 77.602 90.183 38.676 1.00 0.00 WT3 H ATOM 43594 OH2 TIP3 6246 50.672 11.782 15.027 1.00 0.00 WT3 O ATOM 43595 H1 TIP3 6246 51.270 11.796 15.775 1.00 0.00 WT3 H ATOM 43596 H2 TIP3 6246 51.247 11.772 14.261 1.00 0.00 WT3 H ATOM 43597 OH2 TIP3 6247 35.492 72.927 32.956 1.00 0.00 WT3 O ATOM 43598 H1 TIP3 6247 35.567 72.636 33.865 1.00 0.00 WT3 H ATOM 43599 H2 TIP3 6247 36.355 72.756 32.577 1.00 0.00 WT3 H ATOM 43600 OH2 TIP3 6248 38.105 66.655 62.454 1.00 0.00 WT3 O ATOM 43601 H1 TIP3 6248 37.201 66.936 62.600 1.00 0.00 WT3 H ATOM 43602 H2 TIP3 6248 38.070 65.700 62.505 1.00 0.00 WT3 H ATOM 43603 OH2 TIP3 6249 25.079 21.153 -4.626 1.00 0.00 WT3 O ATOM 43604 H1 TIP3 6249 24.411 21.775 -4.914 1.00 0.00 WT3 H ATOM 43605 H2 TIP3 6249 25.470 21.561 -3.853 1.00 0.00 WT3 H ATOM 43606 OH2 TIP3 6250 79.708 23.656 4.437 1.00 0.00 WT3 O ATOM 43607 H1 TIP3 6250 79.048 24.247 4.799 1.00 0.00 WT3 H ATOM 43608 H2 TIP3 6250 79.808 22.973 5.101 1.00 0.00 WT3 H ATOM 43609 OH2 TIP3 6251 71.987 81.638 11.907 1.00 0.00 WT3 O ATOM 43610 H1 TIP3 6251 72.212 82.404 11.379 1.00 0.00 WT3 H ATOM 43611 H2 TIP3 6251 71.111 81.391 11.611 1.00 0.00 WT3 H ATOM 43612 OH2 TIP3 6253 88.529 23.509 34.055 1.00 0.00 WT3 O ATOM 43613 H1 TIP3 6253 88.799 24.412 34.220 1.00 0.00 WT3 H ATOM 43614 H2 TIP3 6253 89.259 22.978 34.373 1.00 0.00 WT3 H ATOM 43615 OH2 TIP3 6254 70.990 35.133 18.685 1.00 0.00 WT3 O ATOM 43616 H1 TIP3 6254 70.860 34.330 18.180 1.00 0.00 WT3 H ATOM 43617 H2 TIP3 6254 71.189 35.800 18.028 1.00 0.00 WT3 H ATOM 43618 OH2 TIP3 6255 21.615 85.531 6.083 1.00 0.00 WT3 O ATOM 43619 H1 TIP3 6255 22.010 85.136 6.861 1.00 0.00 WT3 H ATOM 43620 H2 TIP3 6255 21.296 86.383 6.381 1.00 0.00 WT3 H ATOM 43621 OH2 TIP3 6256 63.948 21.177 63.265 1.00 0.00 WT3 O ATOM 43622 H1 TIP3 6256 64.788 21.205 63.721 1.00 0.00 WT3 H ATOM 43623 H2 TIP3 6256 64.170 21.306 62.343 1.00 0.00 WT3 H ATOM 43624 OH2 TIP3 6257 77.612 60.497 4.066 1.00 0.00 WT3 O ATOM 43625 H1 TIP3 6257 76.767 60.869 4.318 1.00 0.00 WT3 H ATOM 43626 H2 TIP3 6257 78.021 60.246 4.894 1.00 0.00 WT3 H ATOM 43627 OH2 TIP3 6258 65.411 78.504 2.170 1.00 0.00 WT3 O ATOM 43628 H1 TIP3 6258 64.545 78.524 2.577 1.00 0.00 WT3 H ATOM 43629 H2 TIP3 6258 65.973 78.984 2.779 1.00 0.00 WT3 H ATOM 43630 OH2 TIP3 6260 58.965 73.454 -15.754 1.00 0.00 WT3 O ATOM 43631 H1 TIP3 6260 58.174 73.508 -15.218 1.00 0.00 WT3 H ATOM 43632 H2 TIP3 6260 58.961 72.560 -16.096 1.00 0.00 WT3 H ATOM 43633 OH2 TIP3 6261 65.306 80.695 28.627 1.00 0.00 WT3 O ATOM 43634 H1 TIP3 6261 66.201 80.689 28.289 1.00 0.00 WT3 H ATOM 43635 H2 TIP3 6261 65.021 79.783 28.570 1.00 0.00 WT3 H ATOM 43636 OH2 TIP3 6263 22.428 1.606 -9.231 1.00 0.00 WT3 O ATOM 43637 H1 TIP3 6263 22.927 0.791 -9.283 1.00 0.00 WT3 H ATOM 43638 H2 TIP3 6263 23.020 2.273 -9.578 1.00 0.00 WT3 H ATOM 43639 OH2 TIP3 6264 72.000 8.440 1.191 1.00 0.00 WT3 O ATOM 43640 H1 TIP3 6264 72.871 8.535 1.576 1.00 0.00 WT3 H ATOM 43641 H2 TIP3 6264 71.926 9.172 0.579 1.00 0.00 WT3 H ATOM 43642 OH2 TIP3 6266 70.268 37.560 -15.228 1.00 0.00 WT3 O ATOM 43643 H1 TIP3 6266 70.692 36.728 -15.018 1.00 0.00 WT3 H ATOM 43644 H2 TIP3 6266 70.990 38.181 -15.318 1.00 0.00 WT3 H ATOM 43645 OH2 TIP3 6268 61.399 96.092 7.701 1.00 0.00 WT3 O ATOM 43646 H1 TIP3 6268 61.293 95.904 6.768 1.00 0.00 WT3 H ATOM 43647 H2 TIP3 6268 62.302 96.398 7.783 1.00 0.00 WT3 H ATOM 43648 OH2 TIP3 6269 53.106 27.118 -13.780 1.00 0.00 WT3 O ATOM 43649 H1 TIP3 6269 53.115 26.940 -12.840 1.00 0.00 WT3 H ATOM 43650 H2 TIP3 6269 52.567 27.904 -13.870 1.00 0.00 WT3 H ATOM 43651 OH2 TIP3 6270 67.652 38.026 36.254 1.00 0.00 WT3 O ATOM 43652 H1 TIP3 6270 67.912 38.250 35.361 1.00 0.00 WT3 H ATOM 43653 H2 TIP3 6270 67.217 38.813 36.583 1.00 0.00 WT3 H ATOM 43654 OH2 TIP3 6271 25.010 24.491 28.114 1.00 0.00 WT3 O ATOM 43655 H1 TIP3 6271 25.292 24.107 27.284 1.00 0.00 WT3 H ATOM 43656 H2 TIP3 6271 24.871 25.417 27.915 1.00 0.00 WT3 H ATOM 43657 OH2 TIP3 6272 28.791 17.176 -8.994 1.00 0.00 WT3 O ATOM 43658 H1 TIP3 6272 27.840 17.213 -8.890 1.00 0.00 WT3 H ATOM 43659 H2 TIP3 6272 29.130 17.160 -8.099 1.00 0.00 WT3 H ATOM 43660 OH2 TIP3 6273 30.907 34.395 44.078 1.00 0.00 WT3 O ATOM 43661 H1 TIP3 6273 31.609 33.800 44.341 1.00 0.00 WT3 H ATOM 43662 H2 TIP3 6273 31.360 35.160 43.723 1.00 0.00 WT3 H ATOM 43663 OH2 TIP3 6274 82.722 4.537 0.582 1.00 0.00 WT3 O ATOM 43664 H1 TIP3 6274 83.010 3.762 1.064 1.00 0.00 WT3 H ATOM 43665 H2 TIP3 6274 82.852 5.262 1.193 1.00 0.00 WT3 H ATOM 43666 OH2 TIP3 6275 80.801 65.776 4.220 1.00 0.00 WT3 O ATOM 43667 H1 TIP3 6275 80.767 65.376 3.351 1.00 0.00 WT3 H ATOM 43668 H2 TIP3 6275 81.633 66.249 4.235 1.00 0.00 WT3 H ATOM 43669 OH2 TIP3 6276 54.581 95.513 -5.532 1.00 0.00 WT3 O ATOM 43670 H1 TIP3 6276 54.117 96.255 -5.919 1.00 0.00 WT3 H ATOM 43671 H2 TIP3 6276 55.001 95.079 -6.274 1.00 0.00 WT3 H ATOM 43672 OH2 TIP3 6277 39.051 48.611 51.406 1.00 0.00 WT3 O ATOM 43673 H1 TIP3 6277 39.085 49.558 51.546 1.00 0.00 WT3 H ATOM 43674 H2 TIP3 6277 39.921 48.300 51.655 1.00 0.00 WT3 H ATOM 43675 OH2 TIP3 6278 84.537 72.151 31.286 1.00 0.00 WT3 O ATOM 43676 H1 TIP3 6278 84.154 72.682 31.984 1.00 0.00 WT3 H ATOM 43677 H2 TIP3 6278 83.821 71.588 30.991 1.00 0.00 WT3 H ATOM 43678 OH2 TIP3 6279 65.699 11.827 28.564 1.00 0.00 WT3 O ATOM 43679 H1 TIP3 6279 64.902 11.650 29.063 1.00 0.00 WT3 H ATOM 43680 H2 TIP3 6279 65.824 12.773 28.637 1.00 0.00 WT3 H ATOM 43681 OH2 TIP3 6280 65.889 77.598 29.317 1.00 0.00 WT3 O ATOM 43682 H1 TIP3 6280 66.176 77.617 28.404 1.00 0.00 WT3 H ATOM 43683 H2 TIP3 6280 65.931 76.673 29.562 1.00 0.00 WT3 H ATOM 43684 OH2 TIP3 6281 90.210 83.439 45.846 1.00 0.00 WT3 O ATOM 43685 H1 TIP3 6281 90.984 83.946 46.092 1.00 0.00 WT3 H ATOM 43686 H2 TIP3 6281 89.471 83.987 46.108 1.00 0.00 WT3 H ATOM 43687 OH2 TIP3 6282 80.974 59.164 23.695 1.00 0.00 WT3 O ATOM 43688 H1 TIP3 6282 80.041 59.029 23.862 1.00 0.00 WT3 H ATOM 43689 H2 TIP3 6282 81.234 59.844 24.317 1.00 0.00 WT3 H ATOM 43690 OH2 TIP3 6283 51.978 67.832 42.627 1.00 0.00 WT3 O ATOM 43691 H1 TIP3 6283 52.094 66.932 42.322 1.00 0.00 WT3 H ATOM 43692 H2 TIP3 6283 52.815 68.057 43.033 1.00 0.00 WT3 H ATOM 43693 OH2 TIP3 6284 65.259 36.713 46.112 1.00 0.00 WT3 O ATOM 43694 H1 TIP3 6284 64.314 36.715 45.960 1.00 0.00 WT3 H ATOM 43695 H2 TIP3 6284 65.545 37.589 45.853 1.00 0.00 WT3 H ATOM 43696 OH2 TIP3 6285 59.338 13.447 66.543 1.00 0.00 WT3 O ATOM 43697 H1 TIP3 6285 58.490 13.105 66.260 1.00 0.00 WT3 H ATOM 43698 H2 TIP3 6285 59.167 13.829 67.404 1.00 0.00 WT3 H ATOM 43699 OH2 TIP3 6286 71.137 74.405 63.271 1.00 0.00 WT3 O ATOM 43700 H1 TIP3 6286 70.420 74.693 63.835 1.00 0.00 WT3 H ATOM 43701 H2 TIP3 6286 70.719 73.840 62.621 1.00 0.00 WT3 H ATOM 43702 OH2 TIP3 6287 28.052 51.688 -9.294 1.00 0.00 WT3 O ATOM 43703 H1 TIP3 6287 28.764 51.642 -8.656 1.00 0.00 WT3 H ATOM 43704 H2 TIP3 6287 28.442 52.109 -10.060 1.00 0.00 WT3 H ATOM 43705 OH2 TIP3 6288 32.821 12.406 62.423 1.00 0.00 WT3 O ATOM 43706 H1 TIP3 6288 33.710 12.749 62.508 1.00 0.00 WT3 H ATOM 43707 H2 TIP3 6288 32.868 11.523 62.790 1.00 0.00 WT3 H ATOM 43708 OH2 TIP3 6289 76.379 10.472 1.820 1.00 0.00 WT3 O ATOM 43709 H1 TIP3 6289 76.877 11.283 1.919 1.00 0.00 WT3 H ATOM 43710 H2 TIP3 6289 76.617 10.148 0.951 1.00 0.00 WT3 H ATOM 43711 OH2 TIP3 6290 21.462 94.875 -3.851 1.00 0.00 WT3 O ATOM 43712 H1 TIP3 6290 21.062 94.109 -3.439 1.00 0.00 WT3 H ATOM 43713 H2 TIP3 6290 21.066 95.622 -3.403 1.00 0.00 WT3 H ATOM 43714 OH2 TIP3 6292 79.641 7.643 53.315 1.00 0.00 WT3 O ATOM 43715 H1 TIP3 6292 80.455 7.139 53.326 1.00 0.00 WT3 H ATOM 43716 H2 TIP3 6292 79.324 7.606 54.218 1.00 0.00 WT3 H ATOM 43717 OH2 TIP3 6295 85.363 75.097 35.263 1.00 0.00 WT3 O ATOM 43718 H1 TIP3 6295 84.442 74.840 35.309 1.00 0.00 WT3 H ATOM 43719 H2 TIP3 6295 85.343 76.054 35.233 1.00 0.00 WT3 H ATOM 43720 OH2 TIP3 6296 27.452 43.059 12.214 1.00 0.00 WT3 O ATOM 43721 H1 TIP3 6296 28.387 42.981 12.025 1.00 0.00 WT3 H ATOM 43722 H2 TIP3 6296 27.273 43.997 12.154 1.00 0.00 WT3 H ATOM 43723 OH2 TIP3 6297 90.668 90.239 49.678 1.00 0.00 WT3 O ATOM 43724 H1 TIP3 6297 89.942 89.627 49.563 1.00 0.00 WT3 H ATOM 43725 H2 TIP3 6297 90.677 90.428 50.616 1.00 0.00 WT3 H ATOM 43726 OH2 TIP3 6298 40.071 82.157 13.782 1.00 0.00 WT3 O ATOM 43727 H1 TIP3 6298 39.995 83.110 13.725 1.00 0.00 WT3 H ATOM 43728 H2 TIP3 6298 39.403 81.900 14.417 1.00 0.00 WT3 H ATOM 43729 OH2 TIP3 6299 35.027 30.170 55.575 1.00 0.00 WT3 O ATOM 43730 H1 TIP3 6299 34.648 30.388 54.723 1.00 0.00 WT3 H ATOM 43731 H2 TIP3 6299 35.932 30.475 55.520 1.00 0.00 WT3 H ATOM 43732 OH2 TIP3 6300 40.397 96.118 60.275 1.00 0.00 WT3 O ATOM 43733 H1 TIP3 6300 40.225 95.648 61.091 1.00 0.00 WT3 H ATOM 43734 H2 TIP3 6300 39.666 95.881 59.704 1.00 0.00 WT3 H ATOM 43735 OH2 TIP3 6301 72.815 75.437 10.285 1.00 0.00 WT3 O ATOM 43736 H1 TIP3 6301 73.094 74.717 9.719 1.00 0.00 WT3 H ATOM 43737 H2 TIP3 6301 73.630 75.864 10.550 1.00 0.00 WT3 H ATOM 43738 OH2 TIP3 6303 69.732 86.723 1.833 1.00 0.00 WT3 O ATOM 43739 H1 TIP3 6303 70.007 87.167 1.030 1.00 0.00 WT3 H ATOM 43740 H2 TIP3 6303 70.526 86.295 2.154 1.00 0.00 WT3 H ATOM 43741 OH2 TIP3 6304 63.299 59.111 -14.580 1.00 0.00 WT3 O ATOM 43742 H1 TIP3 6304 63.946 59.566 -15.119 1.00 0.00 WT3 H ATOM 43743 H2 TIP3 6304 63.048 59.751 -13.914 1.00 0.00 WT3 H ATOM 43744 OH2 TIP3 6305 52.413 70.170 3.047 1.00 0.00 WT3 O ATOM 43745 H1 TIP3 6305 52.019 69.314 3.220 1.00 0.00 WT3 H ATOM 43746 H2 TIP3 6305 53.174 70.205 3.626 1.00 0.00 WT3 H ATOM 43747 OH2 TIP3 6307 55.932 13.992 7.384 1.00 0.00 WT3 O ATOM 43748 H1 TIP3 6307 55.631 13.466 8.125 1.00 0.00 WT3 H ATOM 43749 H2 TIP3 6307 55.362 14.760 7.387 1.00 0.00 WT3 H ATOM 43750 OH2 TIP3 6308 47.071 40.677 14.319 1.00 0.00 WT3 O ATOM 43751 H1 TIP3 6308 46.440 40.693 15.038 1.00 0.00 WT3 H ATOM 43752 H2 TIP3 6308 47.512 39.832 14.405 1.00 0.00 WT3 H ATOM 43753 OH2 TIP3 6309 70.021 94.277 -19.143 1.00 0.00 WT3 O ATOM 43754 H1 TIP3 6309 70.480 94.582 -18.361 1.00 0.00 WT3 H ATOM 43755 H2 TIP3 6309 69.196 94.762 -19.141 1.00 0.00 WT3 H ATOM 43756 OH2 TIP3 6311 72.718 94.225 24.205 1.00 0.00 WT3 O ATOM 43757 H1 TIP3 6311 72.320 93.584 24.794 1.00 0.00 WT3 H ATOM 43758 H2 TIP3 6311 71.976 94.644 23.769 1.00 0.00 WT3 H ATOM 43759 OH2 TIP3 6312 34.510 76.145 63.890 1.00 0.00 WT3 O ATOM 43760 H1 TIP3 6312 34.587 75.446 63.242 1.00 0.00 WT3 H ATOM 43761 H2 TIP3 6312 33.812 76.707 63.554 1.00 0.00 WT3 H ATOM 43762 OH2 TIP3 6313 81.381 92.210 44.386 1.00 0.00 WT3 O ATOM 43763 H1 TIP3 6313 81.148 92.717 45.164 1.00 0.00 WT3 H ATOM 43764 H2 TIP3 6313 80.807 92.548 43.699 1.00 0.00 WT3 H ATOM 43765 OH2 TIP3 6317 41.663 69.664 31.177 1.00 0.00 WT3 O ATOM 43766 H1 TIP3 6317 42.448 69.394 31.653 1.00 0.00 WT3 H ATOM 43767 H2 TIP3 6317 41.514 70.568 31.454 1.00 0.00 WT3 H ATOM 43768 OH2 TIP3 6318 85.659 55.496 44.312 1.00 0.00 WT3 O ATOM 43769 H1 TIP3 6318 85.211 56.339 44.379 1.00 0.00 WT3 H ATOM 43770 H2 TIP3 6318 86.537 55.715 43.999 1.00 0.00 WT3 H ATOM 43771 OH2 TIP3 6319 39.201 93.048 58.504 1.00 0.00 WT3 O ATOM 43772 H1 TIP3 6319 40.074 93.121 58.116 1.00 0.00 WT3 H ATOM 43773 H2 TIP3 6319 38.970 93.946 58.744 1.00 0.00 WT3 H ATOM 43774 OH2 TIP3 6320 63.861 85.704 -0.717 1.00 0.00 WT3 O ATOM 43775 H1 TIP3 6320 64.552 85.091 -0.468 1.00 0.00 WT3 H ATOM 43776 H2 TIP3 6320 64.289 86.321 -1.311 1.00 0.00 WT3 H ATOM 43777 OH2 TIP3 6321 88.642 93.104 34.614 1.00 0.00 WT3 O ATOM 43778 H1 TIP3 6321 88.773 92.683 35.463 1.00 0.00 WT3 H ATOM 43779 H2 TIP3 6321 89.459 92.951 34.141 1.00 0.00 WT3 H ATOM 43780 OH2 TIP3 6323 25.194 38.562 5.861 1.00 0.00 WT3 O ATOM 43781 H1 TIP3 6323 25.937 39.160 5.782 1.00 0.00 WT3 H ATOM 43782 H2 TIP3 6323 24.849 38.722 6.739 1.00 0.00 WT3 H ATOM 43783 OH2 TIP3 6325 82.858 65.937 35.422 1.00 0.00 WT3 O ATOM 43784 H1 TIP3 6325 81.915 65.771 35.410 1.00 0.00 WT3 H ATOM 43785 H2 TIP3 6325 83.235 65.219 34.913 1.00 0.00 WT3 H ATOM 43786 OH2 TIP3 6327 87.372 91.722 43.025 1.00 0.00 WT3 O ATOM 43787 H1 TIP3 6327 87.766 92.049 43.834 1.00 0.00 WT3 H ATOM 43788 H2 TIP3 6327 87.281 90.780 43.165 1.00 0.00 WT3 H ATOM 43789 OH2 TIP3 6328 60.282 78.632 14.814 1.00 0.00 WT3 O ATOM 43790 H1 TIP3 6328 61.088 78.926 15.238 1.00 0.00 WT3 H ATOM 43791 H2 TIP3 6328 60.495 77.766 14.466 1.00 0.00 WT3 H ATOM 43792 OH2 TIP3 6329 27.789 28.972 8.189 1.00 0.00 WT3 O ATOM 43793 H1 TIP3 6329 27.577 28.746 9.095 1.00 0.00 WT3 H ATOM 43794 H2 TIP3 6329 27.384 29.828 8.054 1.00 0.00 WT3 H ATOM 43795 OH2 TIP3 6330 44.429 90.580 50.975 1.00 0.00 WT3 O ATOM 43796 H1 TIP3 6330 44.283 89.646 50.825 1.00 0.00 WT3 H ATOM 43797 H2 TIP3 6330 45.055 90.836 50.298 1.00 0.00 WT3 H ATOM 43798 OH2 TIP3 6331 74.190 76.057 38.537 1.00 0.00 WT3 O ATOM 43799 H1 TIP3 6331 73.682 76.013 39.348 1.00 0.00 WT3 H ATOM 43800 H2 TIP3 6331 74.623 75.205 38.480 1.00 0.00 WT3 H ATOM 43801 OH2 TIP3 6332 25.234 67.725 58.988 1.00 0.00 WT3 O ATOM 43802 H1 TIP3 6332 25.658 68.269 58.325 1.00 0.00 WT3 H ATOM 43803 H2 TIP3 6332 24.519 67.291 58.522 1.00 0.00 WT3 H ATOM 43804 OH2 TIP3 6333 69.070 87.730 -3.343 1.00 0.00 WT3 O ATOM 43805 H1 TIP3 6333 69.408 87.041 -3.916 1.00 0.00 WT3 H ATOM 43806 H2 TIP3 6333 68.250 88.004 -3.754 1.00 0.00 WT3 H ATOM 43807 OH2 TIP3 6335 48.238 86.775 46.850 1.00 0.00 WT3 O ATOM 43808 H1 TIP3 6335 49.055 86.372 46.556 1.00 0.00 WT3 H ATOM 43809 H2 TIP3 6335 47.886 87.202 46.069 1.00 0.00 WT3 H ATOM 43810 OH2 TIP3 6337 84.771 48.009 23.792 1.00 0.00 WT3 O ATOM 43811 H1 TIP3 6337 83.854 47.942 24.058 1.00 0.00 WT3 H ATOM 43812 H2 TIP3 6337 84.737 48.150 22.846 1.00 0.00 WT3 H ATOM 43813 OH2 TIP3 6339 86.449 5.017 56.211 1.00 0.00 WT3 O ATOM 43814 H1 TIP3 6339 85.885 5.775 56.371 1.00 0.00 WT3 H ATOM 43815 H2 TIP3 6339 87.077 5.320 55.555 1.00 0.00 WT3 H ATOM 43816 OH2 TIP3 6340 30.616 51.950 41.901 1.00 0.00 WT3 O ATOM 43817 H1 TIP3 6340 31.282 51.675 42.531 1.00 0.00 WT3 H ATOM 43818 H2 TIP3 6340 31.024 52.669 41.418 1.00 0.00 WT3 H ATOM 43819 OH2 TIP3 6342 70.850 54.713 5.645 1.00 0.00 WT3 O ATOM 43820 H1 TIP3 6342 70.760 54.962 6.565 1.00 0.00 WT3 H ATOM 43821 H2 TIP3 6342 70.632 53.781 5.626 1.00 0.00 WT3 H ATOM 43822 OH2 TIP3 6344 66.061 55.323 31.093 1.00 0.00 WT3 O ATOM 43823 H1 TIP3 6344 65.534 55.121 30.320 1.00 0.00 WT3 H ATOM 43824 H2 TIP3 6344 65.444 55.723 31.706 1.00 0.00 WT3 H ATOM 43825 OH2 TIP3 6345 55.969 78.169 -1.137 1.00 0.00 WT3 O ATOM 43826 H1 TIP3 6345 56.000 78.751 -0.378 1.00 0.00 WT3 H ATOM 43827 H2 TIP3 6345 56.100 77.293 -0.774 1.00 0.00 WT3 H ATOM 43828 OH2 TIP3 6346 35.970 4.210 20.347 1.00 0.00 WT3 O ATOM 43829 H1 TIP3 6346 36.029 4.590 21.224 1.00 0.00 WT3 H ATOM 43830 H2 TIP3 6346 35.094 4.447 20.042 1.00 0.00 WT3 H ATOM 43831 OH2 TIP3 6347 47.827 54.436 -9.580 1.00 0.00 WT3 O ATOM 43832 H1 TIP3 6347 48.251 55.279 -9.734 1.00 0.00 WT3 H ATOM 43833 H2 TIP3 6347 47.593 54.450 -8.652 1.00 0.00 WT3 H ATOM 43834 OH2 TIP3 6348 59.122 88.225 -1.355 1.00 0.00 WT3 O ATOM 43835 H1 TIP3 6348 58.546 87.994 -2.084 1.00 0.00 WT3 H ATOM 43836 H2 TIP3 6348 59.441 87.385 -1.026 1.00 0.00 WT3 H ATOM 43837 OH2 TIP3 6349 50.659 90.708 37.473 1.00 0.00 WT3 O ATOM 43838 H1 TIP3 6349 51.163 90.138 38.054 1.00 0.00 WT3 H ATOM 43839 H2 TIP3 6349 49.861 90.213 37.286 1.00 0.00 WT3 H ATOM 43840 OH2 TIP3 6351 27.448 10.750 40.296 1.00 0.00 WT3 O ATOM 43841 H1 TIP3 6351 27.946 10.821 39.481 1.00 0.00 WT3 H ATOM 43842 H2 TIP3 6351 28.115 10.669 40.978 1.00 0.00 WT3 H ATOM 43843 OH2 TIP3 6353 20.349 17.789 -15.678 1.00 0.00 WT3 O ATOM 43844 H1 TIP3 6353 20.405 18.474 -16.345 1.00 0.00 WT3 H ATOM 43845 H2 TIP3 6353 20.289 18.265 -14.850 1.00 0.00 WT3 H ATOM 43846 OH2 TIP3 6356 29.452 26.711 30.187 1.00 0.00 WT3 O ATOM 43847 H1 TIP3 6356 29.821 26.398 29.361 1.00 0.00 WT3 H ATOM 43848 H2 TIP3 6356 30.167 27.195 30.600 1.00 0.00 WT3 H ATOM 43849 OH2 TIP3 6357 29.811 50.408 58.580 1.00 0.00 WT3 O ATOM 43850 H1 TIP3 6357 29.518 51.078 57.962 1.00 0.00 WT3 H ATOM 43851 H2 TIP3 6357 30.754 50.550 58.657 1.00 0.00 WT3 H ATOM 43852 OH2 TIP3 6359 43.537 16.053 6.381 1.00 0.00 WT3 O ATOM 43853 H1 TIP3 6359 44.291 15.675 5.929 1.00 0.00 WT3 H ATOM 43854 H2 TIP3 6359 42.865 16.130 5.705 1.00 0.00 WT3 H ATOM 43855 OH2 TIP3 6360 34.761 44.021 50.982 1.00 0.00 WT3 O ATOM 43856 H1 TIP3 6360 34.241 43.287 50.655 1.00 0.00 WT3 H ATOM 43857 H2 TIP3 6360 35.313 44.273 50.241 1.00 0.00 WT3 H ATOM 43858 OH2 TIP3 6361 51.180 59.791 -9.812 1.00 0.00 WT3 O ATOM 43859 H1 TIP3 6361 52.061 60.015 -10.113 1.00 0.00 WT3 H ATOM 43860 H2 TIP3 6361 51.313 59.065 -9.203 1.00 0.00 WT3 H ATOM 43861 OH2 TIP3 6362 56.624 79.162 17.614 1.00 0.00 WT3 O ATOM 43862 H1 TIP3 6362 56.625 80.119 17.585 1.00 0.00 WT3 H ATOM 43863 H2 TIP3 6362 56.004 78.944 18.310 1.00 0.00 WT3 H ATOM 43864 OH2 TIP3 6363 75.525 78.458 37.592 1.00 0.00 WT3 O ATOM 43865 H1 TIP3 6363 74.975 79.238 37.661 1.00 0.00 WT3 H ATOM 43866 H2 TIP3 6363 74.907 77.727 37.606 1.00 0.00 WT3 H ATOM 43867 OH2 TIP3 6364 47.972 9.628 64.730 1.00 0.00 WT3 O ATOM 43868 H1 TIP3 6364 48.852 9.357 64.471 1.00 0.00 WT3 H ATOM 43869 H2 TIP3 6364 47.490 8.807 64.836 1.00 0.00 WT3 H ATOM 43870 OH2 TIP3 6365 87.255 95.612 33.557 1.00 0.00 WT3 O ATOM 43871 H1 TIP3 6365 86.884 95.732 32.682 1.00 0.00 WT3 H ATOM 43872 H2 TIP3 6365 87.576 94.710 33.559 1.00 0.00 WT3 H ATOM 43873 OH2 TIP3 6366 21.602 5.659 -14.153 1.00 0.00 WT3 O ATOM 43874 H1 TIP3 6366 21.038 5.919 -13.424 1.00 0.00 WT3 H ATOM 43875 H2 TIP3 6366 21.004 5.555 -14.893 1.00 0.00 WT3 H ATOM 43876 OH2 TIP3 6369 36.465 76.871 -12.455 1.00 0.00 WT3 O ATOM 43877 H1 TIP3 6369 35.973 77.592 -12.847 1.00 0.00 WT3 H ATOM 43878 H2 TIP3 6369 37.096 77.298 -11.876 1.00 0.00 WT3 H ATOM 43879 OH2 TIP3 6370 61.186 43.021 39.253 1.00 0.00 WT3 O ATOM 43880 H1 TIP3 6370 62.053 42.936 38.856 1.00 0.00 WT3 H ATOM 43881 H2 TIP3 6370 61.055 43.965 39.344 1.00 0.00 WT3 H ATOM 43882 OH2 TIP3 6371 29.286 55.137 4.166 1.00 0.00 WT3 O ATOM 43883 H1 TIP3 6371 29.239 55.790 3.468 1.00 0.00 WT3 H ATOM 43884 H2 TIP3 6371 28.858 54.362 3.800 1.00 0.00 WT3 H ATOM 43885 OH2 TIP3 6372 79.734 26.279 32.000 1.00 0.00 WT3 O ATOM 43886 H1 TIP3 6372 79.491 27.158 32.291 1.00 0.00 WT3 H ATOM 43887 H2 TIP3 6372 80.351 26.425 31.283 1.00 0.00 WT3 H ATOM 43888 OH2 TIP3 6373 57.259 8.799 -1.180 1.00 0.00 WT3 O ATOM 43889 H1 TIP3 6373 57.581 8.295 -0.433 1.00 0.00 WT3 H ATOM 43890 H2 TIP3 6373 57.943 8.707 -1.844 1.00 0.00 WT3 H ATOM 43891 OH2 TIP3 6374 68.569 72.868 46.191 1.00 0.00 WT3 O ATOM 43892 H1 TIP3 6374 68.716 72.011 45.790 1.00 0.00 WT3 H ATOM 43893 H2 TIP3 6374 68.236 73.413 45.477 1.00 0.00 WT3 H ATOM 43894 OH2 TIP3 6375 46.641 79.796 -6.646 1.00 0.00 WT3 O ATOM 43895 H1 TIP3 6375 46.867 79.008 -7.142 1.00 0.00 WT3 H ATOM 43896 H2 TIP3 6375 47.159 79.732 -5.844 1.00 0.00 WT3 H ATOM 43897 OH2 TIP3 6377 87.193 87.230 19.819 1.00 0.00 WT3 O ATOM 43898 H1 TIP3 6377 86.934 86.905 20.681 1.00 0.00 WT3 H ATOM 43899 H2 TIP3 6377 87.774 87.968 20.006 1.00 0.00 WT3 H ATOM 43900 OH2 TIP3 6380 52.996 74.721 39.544 1.00 0.00 WT3 O ATOM 43901 H1 TIP3 6380 52.475 73.928 39.413 1.00 0.00 WT3 H ATOM 43902 H2 TIP3 6380 53.373 74.906 38.684 1.00 0.00 WT3 H ATOM 43903 OH2 TIP3 6381 41.640 74.526 -18.535 1.00 0.00 WT3 O ATOM 43904 H1 TIP3 6381 41.193 75.181 -19.069 1.00 0.00 WT3 H ATOM 43905 H2 TIP3 6381 41.443 73.692 -18.962 1.00 0.00 WT3 H ATOM 43906 OH2 TIP3 6384 32.926 30.593 30.759 1.00 0.00 WT3 O ATOM 43907 H1 TIP3 6384 33.697 30.911 30.289 1.00 0.00 WT3 H ATOM 43908 H2 TIP3 6384 32.391 31.375 30.898 1.00 0.00 WT3 H ATOM 43909 OH2 TIP3 6386 30.263 86.717 34.843 1.00 0.00 WT3 O ATOM 43910 H1 TIP3 6386 30.107 87.531 34.364 1.00 0.00 WT3 H ATOM 43911 H2 TIP3 6386 30.660 86.996 35.668 1.00 0.00 WT3 H ATOM 43912 OH2 TIP3 6388 66.086 31.362 9.596 1.00 0.00 WT3 O ATOM 43913 H1 TIP3 6388 66.487 31.935 10.250 1.00 0.00 WT3 H ATOM 43914 H2 TIP3 6388 65.261 31.084 9.994 1.00 0.00 WT3 H ATOM 43915 OH2 TIP3 6390 42.490 88.319 -6.711 1.00 0.00 WT3 O ATOM 43916 H1 TIP3 6390 42.199 87.888 -5.907 1.00 0.00 WT3 H ATOM 43917 H2 TIP3 6390 41.867 88.029 -7.377 1.00 0.00 WT3 H ATOM 43918 OH2 TIP3 6391 47.325 75.076 29.688 1.00 0.00 WT3 O ATOM 43919 H1 TIP3 6391 47.158 74.144 29.549 1.00 0.00 WT3 H ATOM 43920 H2 TIP3 6391 48.152 75.241 29.235 1.00 0.00 WT3 H ATOM 43921 OH2 TIP3 6393 38.719 89.782 -8.887 1.00 0.00 WT3 O ATOM 43922 H1 TIP3 6393 37.768 89.834 -8.801 1.00 0.00 WT3 H ATOM 43923 H2 TIP3 6393 38.873 89.745 -9.832 1.00 0.00 WT3 H ATOM 43924 OH2 TIP3 6395 34.210 13.242 29.821 1.00 0.00 WT3 O ATOM 43925 H1 TIP3 6395 34.583 14.123 29.845 1.00 0.00 WT3 H ATOM 43926 H2 TIP3 6395 33.772 13.190 28.972 1.00 0.00 WT3 H ATOM 43927 OH2 TIP3 6400 87.679 42.606 53.399 1.00 0.00 WT3 O ATOM 43928 H1 TIP3 6400 87.249 43.426 53.643 1.00 0.00 WT3 H ATOM 43929 H2 TIP3 6400 88.330 42.863 52.746 1.00 0.00 WT3 H ATOM 43930 OH2 TIP3 6401 39.913 94.354 62.457 1.00 0.00 WT3 O ATOM 43931 H1 TIP3 6401 39.565 93.635 61.929 1.00 0.00 WT3 H ATOM 43932 H2 TIP3 6401 39.641 94.148 63.352 1.00 0.00 WT3 H ATOM 43933 OH2 TIP3 6403 40.076 73.125 32.699 1.00 0.00 WT3 O ATOM 43934 H1 TIP3 6403 39.600 73.173 33.528 1.00 0.00 WT3 H ATOM 43935 H2 TIP3 6403 40.997 73.080 32.954 1.00 0.00 WT3 H ATOM 43936 OH2 TIP3 6411 47.355 6.748 39.867 1.00 0.00 WT3 O ATOM 43937 H1 TIP3 6411 46.827 5.963 39.724 1.00 0.00 WT3 H ATOM 43938 H2 TIP3 6411 47.567 7.058 38.987 1.00 0.00 WT3 H ATOM 43939 OH2 TIP3 6417 39.613 88.266 26.256 1.00 0.00 WT3 O ATOM 43940 H1 TIP3 6417 40.287 88.510 25.621 1.00 0.00 WT3 H ATOM 43941 H2 TIP3 6417 38.786 88.437 25.805 1.00 0.00 WT3 H ATOM 43942 OH2 TIP3 6420 79.657 3.299 64.855 1.00 0.00 WT3 O ATOM 43943 H1 TIP3 6420 79.792 3.277 65.802 1.00 0.00 WT3 H ATOM 43944 H2 TIP3 6420 78.975 3.959 64.725 1.00 0.00 WT3 H ATOM 43945 OH2 TIP3 6421 87.914 4.155 2.929 1.00 0.00 WT3 O ATOM 43946 H1 TIP3 6421 87.780 5.009 3.340 1.00 0.00 WT3 H ATOM 43947 H2 TIP3 6421 88.693 4.269 2.386 1.00 0.00 WT3 H ATOM 43948 OH2 TIP3 6424 90.661 40.621 17.227 1.00 0.00 WT3 O ATOM 43949 H1 TIP3 6424 89.774 40.312 17.412 1.00 0.00 WT3 H ATOM 43950 H2 TIP3 6424 91.160 40.404 18.014 1.00 0.00 WT3 H ATOM 43951 OH2 TIP3 6428 21.765 94.315 8.626 1.00 0.00 WT3 O ATOM 43952 H1 TIP3 6428 21.429 94.860 7.914 1.00 0.00 WT3 H ATOM 43953 H2 TIP3 6428 21.542 94.796 9.422 1.00 0.00 WT3 H ATOM 43954 OH2 TIP3 6429 68.616 17.846 -8.346 1.00 0.00 WT3 O ATOM 43955 H1 TIP3 6429 69.079 17.542 -7.565 1.00 0.00 WT3 H ATOM 43956 H2 TIP3 6429 68.528 17.066 -8.892 1.00 0.00 WT3 H ATOM 43957 OH2 TIP3 6441 73.660 20.602 42.523 1.00 0.00 WT3 O ATOM 43958 H1 TIP3 6441 74.421 20.210 42.952 1.00 0.00 WT3 H ATOM 43959 H2 TIP3 6441 73.637 20.195 41.657 1.00 0.00 WT3 H ATOM 43960 OH2 TIP3 6492 66.431 3.313 52.761 1.00 0.00 WT3 O ATOM 43961 H1 TIP3 6492 65.839 2.661 53.137 1.00 0.00 WT3 H ATOM 43962 H2 TIP3 6492 66.081 4.154 53.057 1.00 0.00 WT3 H ATOM 43963 OH2 TIP3 6499 57.357 65.426 13.281 1.00 0.00 WT3 O ATOM 43964 H1 TIP3 6499 58.008 65.275 13.966 1.00 0.00 WT3 H ATOM 43965 H2 TIP3 6499 56.949 64.571 13.145 1.00 0.00 WT3 H ATOM 43966 OH2 TIP3 6536 36.268 77.463 5.630 1.00 0.00 WT3 O ATOM 43967 H1 TIP3 6536 37.137 77.850 5.734 1.00 0.00 WT3 H ATOM 43968 H2 TIP3 6536 36.308 76.647 6.129 1.00 0.00 WT3 H ATOM 43969 OH2 TIP3 6551 69.703 64.941 58.026 1.00 0.00 WT3 O ATOM 43970 H1 TIP3 6551 68.765 65.111 58.111 1.00 0.00 WT3 H ATOM 43971 H2 TIP3 6551 69.987 65.511 57.311 1.00 0.00 WT3 H ATOM 43972 OH2 TIP3 6555 79.904 40.770 66.579 1.00 0.00 WT3 O ATOM 43973 H1 TIP3 6555 80.190 40.287 67.355 1.00 0.00 WT3 H ATOM 43974 H2 TIP3 6555 79.386 40.138 66.081 1.00 0.00 WT3 H ATOM 43975 OH2 TIP3 6569 24.072 53.750 -12.871 1.00 0.00 WT3 O ATOM 43976 H1 TIP3 6569 24.650 54.038 -12.164 1.00 0.00 WT3 H ATOM 43977 H2 TIP3 6569 23.559 53.039 -12.486 1.00 0.00 WT3 H ATOM 43978 OH2 TIP3 6571 33.447 72.248 -15.086 1.00 0.00 WT3 O ATOM 43979 H1 TIP3 6571 34.389 72.169 -15.234 1.00 0.00 WT3 H ATOM 43980 H2 TIP3 6571 33.283 73.191 -15.078 1.00 0.00 WT3 H ATOM 43981 OH2 TIP3 6575 83.447 73.707 33.178 1.00 0.00 WT3 O ATOM 43982 H1 TIP3 6575 83.349 73.838 34.121 1.00 0.00 WT3 H ATOM 43983 H2 TIP3 6575 83.089 74.504 32.787 1.00 0.00 WT3 H ATOM 43984 OH2 TIP3 6579 84.541 54.347 -12.222 1.00 0.00 WT3 O ATOM 43985 H1 TIP3 6579 85.027 54.729 -12.953 1.00 0.00 WT3 H ATOM 43986 H2 TIP3 6579 84.441 53.424 -12.457 1.00 0.00 WT3 H ATOM 43987 OH2 TIP3 6592 63.498 61.313 34.067 1.00 0.00 WT3 O ATOM 43988 H1 TIP3 6592 62.886 62.031 33.906 1.00 0.00 WT3 H ATOM 43989 H2 TIP3 6592 63.345 60.701 33.347 1.00 0.00 WT3 H ATOM 43990 OH2 TIP3 6595 71.703 75.737 17.288 1.00 0.00 WT3 O ATOM 43991 H1 TIP3 6595 71.322 74.868 17.159 1.00 0.00 WT3 H ATOM 43992 H2 TIP3 6595 71.020 76.344 17.002 1.00 0.00 WT3 H ATOM 43993 OH2 TIP3 6597 31.346 54.394 44.944 1.00 0.00 WT3 O ATOM 43994 H1 TIP3 6597 31.866 54.680 45.695 1.00 0.00 WT3 H ATOM 43995 H2 TIP3 6597 30.602 54.996 44.923 1.00 0.00 WT3 H ATOM 43996 OH2 TIP3 6602 41.323 28.515 5.131 1.00 0.00 WT3 O ATOM 43997 H1 TIP3 6602 41.449 27.975 4.351 1.00 0.00 WT3 H ATOM 43998 H2 TIP3 6602 42.210 28.705 5.437 1.00 0.00 WT3 H ATOM 43999 OH2 TIP3 6603 67.415 47.185 13.374 1.00 0.00 WT3 O ATOM 44000 H1 TIP3 6603 66.806 47.388 14.084 1.00 0.00 WT3 H ATOM 44001 H2 TIP3 6603 66.882 47.229 12.580 1.00 0.00 WT3 H ATOM 44002 OH2 TIP3 6606 81.905 75.969 25.598 1.00 0.00 WT3 O ATOM 44003 H1 TIP3 6606 82.049 76.254 26.501 1.00 0.00 WT3 H ATOM 44004 H2 TIP3 6606 81.645 75.051 25.675 1.00 0.00 WT3 H ATOM 44005 OH2 TIP3 6613 67.122 65.570 58.494 1.00 0.00 WT3 O ATOM 44006 H1 TIP3 6613 66.834 65.633 59.405 1.00 0.00 WT3 H ATOM 44007 H2 TIP3 6613 66.395 65.142 58.042 1.00 0.00 WT3 H ATOM 44008 OH2 TIP3 6614 45.890 60.034 -6.568 1.00 0.00 WT3 O ATOM 44009 H1 TIP3 6614 46.315 60.143 -5.717 1.00 0.00 WT3 H ATOM 44010 H2 TIP3 6614 46.568 59.656 -7.128 1.00 0.00 WT3 H ATOM 44011 OH2 TIP3 6615 87.707 39.573 30.509 1.00 0.00 WT3 O ATOM 44012 H1 TIP3 6615 86.781 39.809 30.563 1.00 0.00 WT3 H ATOM 44013 H2 TIP3 6615 87.800 38.828 31.103 1.00 0.00 WT3 H ATOM 44014 OH2 TIP3 6616 83.093 2.707 8.070 1.00 0.00 WT3 O ATOM 44015 H1 TIP3 6616 83.410 3.322 7.409 1.00 0.00 WT3 H ATOM 44016 H2 TIP3 6616 83.587 2.927 8.860 1.00 0.00 WT3 H ATOM 44017 OH2 TIP3 6618 82.304 68.371 -4.256 1.00 0.00 WT3 O ATOM 44018 H1 TIP3 6618 81.667 68.166 -3.571 1.00 0.00 WT3 H ATOM 44019 H2 TIP3 6618 81.773 68.550 -5.032 1.00 0.00 WT3 H ATOM 44020 OH2 TIP3 6620 27.756 44.686 3.267 1.00 0.00 WT3 O ATOM 44021 H1 TIP3 6620 27.218 44.967 4.007 1.00 0.00 WT3 H ATOM 44022 H2 TIP3 6620 27.795 45.453 2.694 1.00 0.00 WT3 H ATOM 44023 OH2 TIP3 6621 44.428 87.810 -9.160 1.00 0.00 WT3 O ATOM 44024 H1 TIP3 6621 43.985 88.064 -8.351 1.00 0.00 WT3 H ATOM 44025 H2 TIP3 6621 44.375 88.586 -9.717 1.00 0.00 WT3 H ATOM 44026 OH2 TIP3 6622 77.160 44.523 10.608 1.00 0.00 WT3 O ATOM 44027 H1 TIP3 6622 77.935 43.980 10.459 1.00 0.00 WT3 H ATOM 44028 H2 TIP3 6622 76.521 43.927 10.998 1.00 0.00 WT3 H ATOM 44029 OH2 TIP3 6623 86.247 76.602 -6.184 1.00 0.00 WT3 O ATOM 44030 H1 TIP3 6623 87.080 76.935 -6.520 1.00 0.00 WT3 H ATOM 44031 H2 TIP3 6623 86.162 75.732 -6.575 1.00 0.00 WT3 H ATOM 44032 OH2 TIP3 6625 79.460 6.730 49.790 1.00 0.00 WT3 O ATOM 44033 H1 TIP3 6625 79.493 7.673 49.955 1.00 0.00 WT3 H ATOM 44034 H2 TIP3 6625 78.820 6.399 50.420 1.00 0.00 WT3 H ATOM 44035 OH2 TIP3 6627 48.488 86.127 8.210 1.00 0.00 WT3 O ATOM 44036 H1 TIP3 6627 48.569 86.503 9.087 1.00 0.00 WT3 H ATOM 44037 H2 TIP3 6627 48.636 85.190 8.337 1.00 0.00 WT3 H ATOM 44038 OH2 TIP3 6628 59.386 74.757 53.656 1.00 0.00 WT3 O ATOM 44039 H1 TIP3 6628 59.664 74.484 52.782 1.00 0.00 WT3 H ATOM 44040 H2 TIP3 6628 59.878 75.562 53.823 1.00 0.00 WT3 H ATOM 44041 OH2 TIP3 6629 34.212 73.400 -1.883 1.00 0.00 WT3 O ATOM 44042 H1 TIP3 6629 34.940 73.575 -2.478 1.00 0.00 WT3 H ATOM 44043 H2 TIP3 6629 34.604 72.909 -1.161 1.00 0.00 WT3 H ATOM 44044 OH2 TIP3 6632 66.071 9.166 14.573 1.00 0.00 WT3 O ATOM 44045 H1 TIP3 6632 65.826 9.422 13.683 1.00 0.00 WT3 H ATOM 44046 H2 TIP3 6632 65.693 9.846 15.130 1.00 0.00 WT3 H ATOM 44047 OH2 TIP3 6634 74.015 64.076 -14.918 1.00 0.00 WT3 O ATOM 44048 H1 TIP3 6634 73.086 64.244 -14.761 1.00 0.00 WT3 H ATOM 44049 H2 TIP3 6634 74.458 64.439 -14.151 1.00 0.00 WT3 H ATOM 44050 OH2 TIP3 6637 83.571 2.857 -9.300 1.00 0.00 WT3 O ATOM 44051 H1 TIP3 6637 82.692 3.228 -9.228 1.00 0.00 WT3 H ATOM 44052 H2 TIP3 6637 83.428 1.953 -9.581 1.00 0.00 WT3 H ATOM 44053 OH2 TIP3 6639 61.553 51.164 36.083 1.00 0.00 WT3 O ATOM 44054 H1 TIP3 6639 61.131 50.320 35.925 1.00 0.00 WT3 H ATOM 44055 H2 TIP3 6639 60.836 51.798 36.071 1.00 0.00 WT3 H ATOM 44056 OH2 TIP3 6640 89.340 93.050 1.076 1.00 0.00 WT3 O ATOM 44057 H1 TIP3 6640 88.542 92.649 0.731 1.00 0.00 WT3 H ATOM 44058 H2 TIP3 6640 89.218 93.048 2.025 1.00 0.00 WT3 H ATOM 44059 OH2 TIP3 6641 47.032 29.492 2.480 1.00 0.00 WT3 O ATOM 44060 H1 TIP3 6641 47.930 29.776 2.309 1.00 0.00 WT3 H ATOM 44061 H2 TIP3 6641 46.670 29.309 1.613 1.00 0.00 WT3 H ATOM 44062 OH2 TIP3 6644 54.935 5.181 -3.485 1.00 0.00 WT3 O ATOM 44063 H1 TIP3 6644 54.400 5.295 -2.700 1.00 0.00 WT3 H ATOM 44064 H2 TIP3 6644 54.443 5.623 -4.177 1.00 0.00 WT3 H ATOM 44065 OH2 TIP3 6645 27.712 91.468 -17.352 1.00 0.00 WT3 O ATOM 44066 H1 TIP3 6645 28.028 92.046 -18.047 1.00 0.00 WT3 H ATOM 44067 H2 TIP3 6645 28.369 91.543 -16.660 1.00 0.00 WT3 H ATOM 44068 OH2 TIP3 6648 53.317 68.576 22.060 1.00 0.00 WT3 O ATOM 44069 H1 TIP3 6648 53.911 67.937 21.666 1.00 0.00 WT3 H ATOM 44070 H2 TIP3 6648 52.460 68.150 22.042 1.00 0.00 WT3 H ATOM 44071 OH2 TIP3 6649 83.469 77.373 56.973 1.00 0.00 WT3 O ATOM 44072 H1 TIP3 6649 82.827 78.027 56.698 1.00 0.00 WT3 H ATOM 44073 H2 TIP3 6649 83.548 77.497 57.919 1.00 0.00 WT3 H ATOM 44074 OH2 TIP3 6650 63.567 56.785 31.674 1.00 0.00 WT3 O ATOM 44075 H1 TIP3 6650 62.745 56.643 32.144 1.00 0.00 WT3 H ATOM 44076 H2 TIP3 6650 63.477 56.268 30.873 1.00 0.00 WT3 H ATOM 44077 OH2 TIP3 6651 67.727 61.942 42.592 1.00 0.00 WT3 O ATOM 44078 H1 TIP3 6651 66.961 61.719 43.119 1.00 0.00 WT3 H ATOM 44079 H2 TIP3 6651 67.365 62.283 41.774 1.00 0.00 WT3 H ATOM 44080 OH2 TIP3 6652 54.102 88.909 -12.934 1.00 0.00 WT3 O ATOM 44081 H1 TIP3 6652 53.268 89.304 -12.678 1.00 0.00 WT3 H ATOM 44082 H2 TIP3 6652 54.683 89.074 -12.192 1.00 0.00 WT3 H ATOM 44083 OH2 TIP3 6653 21.336 7.258 67.494 1.00 0.00 WT3 O ATOM 44084 H1 TIP3 6653 22.275 7.424 67.406 1.00 0.00 WT3 H ATOM 44085 H2 TIP3 6653 21.111 6.739 66.721 1.00 0.00 WT3 H ATOM 44086 OH2 TIP3 6655 49.209 5.418 -17.324 1.00 0.00 WT3 O ATOM 44087 H1 TIP3 6655 50.046 5.215 -16.908 1.00 0.00 WT3 H ATOM 44088 H2 TIP3 6655 49.405 6.142 -17.919 1.00 0.00 WT3 H ATOM 44089 OH2 TIP3 6658 37.873 59.959 34.056 1.00 0.00 WT3 O ATOM 44090 H1 TIP3 6658 37.153 59.372 33.824 1.00 0.00 WT3 H ATOM 44091 H2 TIP3 6658 38.550 59.777 33.405 1.00 0.00 WT3 H ATOM 44092 OH2 TIP3 6659 60.518 40.887 49.777 1.00 0.00 WT3 O ATOM 44093 H1 TIP3 6659 60.926 41.723 49.551 1.00 0.00 WT3 H ATOM 44094 H2 TIP3 6659 59.608 40.980 49.495 1.00 0.00 WT3 H ATOM 44095 OH2 TIP3 6660 40.748 8.166 49.847 1.00 0.00 WT3 O ATOM 44096 H1 TIP3 6660 41.326 8.403 50.572 1.00 0.00 WT3 H ATOM 44097 H2 TIP3 6660 40.251 8.963 49.665 1.00 0.00 WT3 H ATOM 44098 OH2 TIP3 6661 57.377 79.531 -17.293 1.00 0.00 WT3 O ATOM 44099 H1 TIP3 6661 58.079 79.066 -16.838 1.00 0.00 WT3 H ATOM 44100 H2 TIP3 6661 56.684 79.622 -16.638 1.00 0.00 WT3 H ATOM 44101 OH2 TIP3 6662 55.429 12.384 51.596 1.00 0.00 WT3 O ATOM 44102 H1 TIP3 6662 55.375 13.234 51.160 1.00 0.00 WT3 H ATOM 44103 H2 TIP3 6662 55.238 12.574 52.515 1.00 0.00 WT3 H ATOM 44104 OH2 TIP3 6664 44.145 68.608 52.534 1.00 0.00 WT3 O ATOM 44105 H1 TIP3 6664 43.583 69.077 51.917 1.00 0.00 WT3 H ATOM 44106 H2 TIP3 6664 45.003 68.588 52.111 1.00 0.00 WT3 H ATOM 44107 OH2 TIP3 6665 89.790 9.106 -6.173 1.00 0.00 WT3 O ATOM 44108 H1 TIP3 6665 90.747 9.127 -6.152 1.00 0.00 WT3 H ATOM 44109 H2 TIP3 6665 89.529 10.024 -6.100 1.00 0.00 WT3 H ATOM 44110 OH2 TIP3 6666 38.650 38.260 24.414 1.00 0.00 WT3 O ATOM 44111 H1 TIP3 6666 39.514 37.905 24.204 1.00 0.00 WT3 H ATOM 44112 H2 TIP3 6666 38.775 38.716 25.247 1.00 0.00 WT3 H ATOM 44113 OH2 TIP3 6668 61.798 9.806 23.877 1.00 0.00 WT3 O ATOM 44114 H1 TIP3 6668 61.667 9.648 24.812 1.00 0.00 WT3 H ATOM 44115 H2 TIP3 6668 62.739 9.692 23.744 1.00 0.00 WT3 H ATOM 44116 OH2 TIP3 6670 31.321 85.873 62.556 1.00 0.00 WT3 O ATOM 44117 H1 TIP3 6670 30.524 85.885 62.027 1.00 0.00 WT3 H ATOM 44118 H2 TIP3 6670 31.013 85.739 63.452 1.00 0.00 WT3 H ATOM 44119 OH2 TIP3 6671 26.856 83.451 8.560 1.00 0.00 WT3 O ATOM 44120 H1 TIP3 6671 26.746 82.664 8.027 1.00 0.00 WT3 H ATOM 44121 H2 TIP3 6671 27.028 84.148 7.928 1.00 0.00 WT3 H ATOM 44122 OH2 TIP3 6673 65.350 7.375 23.482 1.00 0.00 WT3 O ATOM 44123 H1 TIP3 6673 64.528 6.982 23.776 1.00 0.00 WT3 H ATOM 44124 H2 TIP3 6673 66.020 6.976 24.038 1.00 0.00 WT3 H ATOM 44125 OH2 TIP3 6674 43.657 60.411 38.159 1.00 0.00 WT3 O ATOM 44126 H1 TIP3 6674 43.646 59.890 37.356 1.00 0.00 WT3 H ATOM 44127 H2 TIP3 6674 43.613 59.766 38.864 1.00 0.00 WT3 H ATOM 44128 OH2 TIP3 6677 89.621 9.800 53.496 1.00 0.00 WT3 O ATOM 44129 H1 TIP3 6677 90.468 9.375 53.356 1.00 0.00 WT3 H ATOM 44130 H2 TIP3 6677 88.981 9.094 53.406 1.00 0.00 WT3 H ATOM 44131 OH2 TIP3 6679 26.001 39.111 14.387 1.00 0.00 WT3 O ATOM 44132 H1 TIP3 6679 26.802 39.633 14.443 1.00 0.00 WT3 H ATOM 44133 H2 TIP3 6679 26.290 38.211 14.536 1.00 0.00 WT3 H ATOM 44134 OH2 TIP3 6680 32.229 79.705 22.826 1.00 0.00 WT3 O ATOM 44135 H1 TIP3 6680 31.805 79.452 22.006 1.00 0.00 WT3 H ATOM 44136 H2 TIP3 6680 32.825 80.413 22.580 1.00 0.00 WT3 H ATOM 44137 OH2 TIP3 6681 31.435 57.544 18.797 1.00 0.00 WT3 O ATOM 44138 H1 TIP3 6681 31.938 57.444 19.605 1.00 0.00 WT3 H ATOM 44139 H2 TIP3 6681 30.851 58.283 18.967 1.00 0.00 WT3 H ATOM 44140 OH2 TIP3 6682 74.598 48.229 46.355 1.00 0.00 WT3 O ATOM 44141 H1 TIP3 6682 74.510 49.158 46.143 1.00 0.00 WT3 H ATOM 44142 H2 TIP3 6682 73.717 47.957 46.611 1.00 0.00 WT3 H ATOM 44143 OH2 TIP3 6684 83.646 10.528 41.772 1.00 0.00 WT3 O ATOM 44144 H1 TIP3 6684 84.393 10.806 42.301 1.00 0.00 WT3 H ATOM 44145 H2 TIP3 6684 83.801 9.599 41.607 1.00 0.00 WT3 H ATOM 44146 OH2 TIP3 6685 36.398 9.581 54.466 1.00 0.00 WT3 O ATOM 44147 H1 TIP3 6685 35.724 9.923 55.053 1.00 0.00 WT3 H ATOM 44148 H2 TIP3 6685 37.038 10.290 54.397 1.00 0.00 WT3 H ATOM 44149 OH2 TIP3 6686 81.994 59.870 -2.672 1.00 0.00 WT3 O ATOM 44150 H1 TIP3 6686 82.843 59.904 -3.113 1.00 0.00 WT3 H ATOM 44151 H2 TIP3 6686 82.174 60.173 -1.782 1.00 0.00 WT3 H ATOM 44152 OH2 TIP3 6687 43.707 64.686 -1.184 1.00 0.00 WT3 O ATOM 44153 H1 TIP3 6687 44.636 64.851 -1.019 1.00 0.00 WT3 H ATOM 44154 H2 TIP3 6687 43.449 64.067 -0.500 1.00 0.00 WT3 H ATOM 44155 OH2 TIP3 6689 90.112 44.747 36.325 1.00 0.00 WT3 O ATOM 44156 H1 TIP3 6689 90.476 45.632 36.352 1.00 0.00 WT3 H ATOM 44157 H2 TIP3 6689 90.753 44.240 35.826 1.00 0.00 WT3 H ATOM 44158 OH2 TIP3 6690 60.572 65.732 -11.658 1.00 0.00 WT3 O ATOM 44159 H1 TIP3 6690 59.622 65.624 -11.607 1.00 0.00 WT3 H ATOM 44160 H2 TIP3 6690 60.737 65.974 -12.569 1.00 0.00 WT3 H ATOM 44161 OH2 TIP3 6691 69.794 61.566 47.883 1.00 0.00 WT3 O ATOM 44162 H1 TIP3 6691 69.882 60.691 47.505 1.00 0.00 WT3 H ATOM 44163 H2 TIP3 6691 69.405 61.417 48.745 1.00 0.00 WT3 H ATOM 44164 OH2 TIP3 6692 75.792 91.493 1.327 1.00 0.00 WT3 O ATOM 44165 H1 TIP3 6692 75.983 92.296 0.842 1.00 0.00 WT3 H ATOM 44166 H2 TIP3 6692 75.089 91.737 1.929 1.00 0.00 WT3 H ATOM 44167 OH2 TIP3 6694 81.643 43.061 29.117 1.00 0.00 WT3 O ATOM 44168 H1 TIP3 6694 81.879 43.653 29.831 1.00 0.00 WT3 H ATOM 44169 H2 TIP3 6694 80.730 43.272 28.922 1.00 0.00 WT3 H ATOM 44170 OH2 TIP3 6695 83.419 79.283 32.703 1.00 0.00 WT3 O ATOM 44171 H1 TIP3 6695 84.033 79.646 32.065 1.00 0.00 WT3 H ATOM 44172 H2 TIP3 6695 82.599 79.748 32.539 1.00 0.00 WT3 H ATOM 44173 OH2 TIP3 6697 64.439 93.674 -19.660 1.00 0.00 WT3 O ATOM 44174 H1 TIP3 6697 65.112 93.761 -20.335 1.00 0.00 WT3 H ATOM 44175 H2 TIP3 6697 63.949 94.495 -19.702 1.00 0.00 WT3 H ATOM 44176 OH2 TIP3 6698 57.804 21.331 43.438 1.00 0.00 WT3 O ATOM 44177 H1 TIP3 6698 58.565 21.465 42.872 1.00 0.00 WT3 H ATOM 44178 H2 TIP3 6698 58.104 21.592 44.308 1.00 0.00 WT3 H ATOM 44179 OH2 TIP3 6700 89.805 60.302 27.263 1.00 0.00 WT3 O ATOM 44180 H1 TIP3 6700 90.174 60.963 26.678 1.00 0.00 WT3 H ATOM 44181 H2 TIP3 6700 90.501 59.651 27.359 1.00 0.00 WT3 H ATOM 44182 OH2 TIP3 6701 55.925 83.603 -6.915 1.00 0.00 WT3 O ATOM 44183 H1 TIP3 6701 56.518 83.425 -7.645 1.00 0.00 WT3 H ATOM 44184 H2 TIP3 6701 55.052 83.591 -7.308 1.00 0.00 WT3 H ATOM 44185 OH2 TIP3 6702 54.716 12.583 10.434 1.00 0.00 WT3 O ATOM 44186 H1 TIP3 6702 54.636 13.330 11.026 1.00 0.00 WT3 H ATOM 44187 H2 TIP3 6702 53.817 12.386 10.173 1.00 0.00 WT3 H ATOM 44188 OH2 TIP3 6703 68.287 57.039 46.818 1.00 0.00 WT3 O ATOM 44189 H1 TIP3 6703 68.885 56.395 46.439 1.00 0.00 WT3 H ATOM 44190 H2 TIP3 6703 67.815 56.558 47.498 1.00 0.00 WT3 H ATOM 44191 OH2 TIP3 6704 22.976 12.757 -0.642 1.00 0.00 WT3 O ATOM 44192 H1 TIP3 6704 23.255 12.578 0.256 1.00 0.00 WT3 H ATOM 44193 H2 TIP3 6704 22.095 12.385 -0.698 1.00 0.00 WT3 H ATOM 44194 OH2 TIP3 6705 58.133 83.384 -11.284 1.00 0.00 WT3 O ATOM 44195 H1 TIP3 6705 57.978 82.655 -11.885 1.00 0.00 WT3 H ATOM 44196 H2 TIP3 6705 58.958 83.165 -10.850 1.00 0.00 WT3 H ATOM 44197 OH2 TIP3 6706 20.889 62.698 17.566 1.00 0.00 WT3 O ATOM 44198 H1 TIP3 6706 21.406 61.958 17.883 1.00 0.00 WT3 H ATOM 44199 H2 TIP3 6706 21.474 63.161 16.967 1.00 0.00 WT3 H ATOM 44200 OH2 TIP3 6708 43.116 8.371 -13.743 1.00 0.00 WT3 O ATOM 44201 H1 TIP3 6708 42.533 8.856 -13.160 1.00 0.00 WT3 H ATOM 44202 H2 TIP3 6708 43.261 8.961 -14.483 1.00 0.00 WT3 H ATOM 44203 OH2 TIP3 6709 58.455 31.260 -14.610 1.00 0.00 WT3 O ATOM 44204 H1 TIP3 6709 58.234 31.264 -13.678 1.00 0.00 WT3 H ATOM 44205 H2 TIP3 6709 57.635 31.476 -15.052 1.00 0.00 WT3 H ATOM 44206 OH2 TIP3 6710 21.648 31.168 42.230 1.00 0.00 WT3 O ATOM 44207 H1 TIP3 6710 21.285 32.046 42.117 1.00 0.00 WT3 H ATOM 44208 H2 TIP3 6710 22.534 31.227 41.871 1.00 0.00 WT3 H ATOM 44209 OH2 TIP3 6712 83.639 34.908 33.142 1.00 0.00 WT3 O ATOM 44210 H1 TIP3 6712 84.514 34.524 33.195 1.00 0.00 WT3 H ATOM 44211 H2 TIP3 6712 83.791 35.819 32.892 1.00 0.00 WT3 H ATOM 44212 OH2 TIP3 6714 66.380 76.880 59.277 1.00 0.00 WT3 O ATOM 44213 H1 TIP3 6714 65.797 77.626 59.138 1.00 0.00 WT3 H ATOM 44214 H2 TIP3 6714 66.812 77.065 60.111 1.00 0.00 WT3 H ATOM 44215 OH2 TIP3 6715 52.116 61.695 -0.098 1.00 0.00 WT3 O ATOM 44216 H1 TIP3 6715 52.799 61.043 -0.253 1.00 0.00 WT3 H ATOM 44217 H2 TIP3 6715 51.895 61.596 0.828 1.00 0.00 WT3 H ATOM 44218 OH2 TIP3 6716 48.360 88.280 30.853 1.00 0.00 WT3 O ATOM 44219 H1 TIP3 6716 47.926 87.487 30.538 1.00 0.00 WT3 H ATOM 44220 H2 TIP3 6716 47.644 88.846 31.143 1.00 0.00 WT3 H ATOM 44221 OH2 TIP3 6717 58.304 87.571 59.448 1.00 0.00 WT3 O ATOM 44222 H1 TIP3 6717 57.992 86.690 59.657 1.00 0.00 WT3 H ATOM 44223 H2 TIP3 6717 57.515 88.113 59.454 1.00 0.00 WT3 H ATOM 44224 OH2 TIP3 6718 69.414 10.896 8.083 1.00 0.00 WT3 O ATOM 44225 H1 TIP3 6718 69.726 11.441 8.806 1.00 0.00 WT3 H ATOM 44226 H2 TIP3 6718 70.205 10.663 7.598 1.00 0.00 WT3 H ATOM 44227 OH2 TIP3 6719 63.987 18.998 54.103 1.00 0.00 WT3 O ATOM 44228 H1 TIP3 6719 63.206 19.152 54.634 1.00 0.00 WT3 H ATOM 44229 H2 TIP3 6719 64.277 18.120 54.352 1.00 0.00 WT3 H ATOM 44230 OH2 TIP3 6720 26.840 29.516 -2.034 1.00 0.00 WT3 O ATOM 44231 H1 TIP3 6720 26.454 30.360 -2.267 1.00 0.00 WT3 H ATOM 44232 H2 TIP3 6720 27.071 29.605 -1.109 1.00 0.00 WT3 H ATOM 44233 OH2 TIP3 6721 34.612 28.302 12.051 1.00 0.00 WT3 O ATOM 44234 H1 TIP3 6721 35.001 28.827 12.750 1.00 0.00 WT3 H ATOM 44235 H2 TIP3 6721 33.690 28.557 12.044 1.00 0.00 WT3 H ATOM 44236 OH2 TIP3 6722 67.561 7.951 -16.345 1.00 0.00 WT3 O ATOM 44237 H1 TIP3 6722 68.262 8.376 -16.840 1.00 0.00 WT3 H ATOM 44238 H2 TIP3 6722 67.513 8.443 -15.525 1.00 0.00 WT3 H ATOM 44239 OH2 TIP3 6723 77.013 53.594 -12.880 1.00 0.00 WT3 O ATOM 44240 H1 TIP3 6723 77.307 53.257 -12.034 1.00 0.00 WT3 H ATOM 44241 H2 TIP3 6723 76.373 54.271 -12.660 1.00 0.00 WT3 H ATOM 44242 OH2 TIP3 6724 40.732 53.504 58.842 1.00 0.00 WT3 O ATOM 44243 H1 TIP3 6724 40.272 53.873 58.088 1.00 0.00 WT3 H ATOM 44244 H2 TIP3 6724 40.336 53.935 59.599 1.00 0.00 WT3 H ATOM 44245 OH2 TIP3 6726 56.293 64.401 47.577 1.00 0.00 WT3 O ATOM 44246 H1 TIP3 6726 55.447 64.277 47.146 1.00 0.00 WT3 H ATOM 44247 H2 TIP3 6726 56.933 64.362 46.866 1.00 0.00 WT3 H ATOM 44248 OH2 TIP3 6727 36.576 77.255 0.270 1.00 0.00 WT3 O ATOM 44249 H1 TIP3 6727 36.226 77.434 1.143 1.00 0.00 WT3 H ATOM 44250 H2 TIP3 6727 37.492 77.530 0.317 1.00 0.00 WT3 H ATOM 44251 OH2 TIP3 6728 47.593 73.900 24.843 1.00 0.00 WT3 O ATOM 44252 H1 TIP3 6728 47.761 74.576 24.188 1.00 0.00 WT3 H ATOM 44253 H2 TIP3 6728 48.161 73.172 24.588 1.00 0.00 WT3 H ATOM 44254 OH2 TIP3 6729 50.912 28.961 20.772 1.00 0.00 WT3 O ATOM 44255 H1 TIP3 6729 50.103 29.082 21.268 1.00 0.00 WT3 H ATOM 44256 H2 TIP3 6729 51.233 29.849 20.616 1.00 0.00 WT3 H ATOM 44257 OH2 TIP3 6730 68.603 92.308 59.978 1.00 0.00 WT3 O ATOM 44258 H1 TIP3 6730 68.716 92.818 60.780 1.00 0.00 WT3 H ATOM 44259 H2 TIP3 6730 68.944 92.871 59.284 1.00 0.00 WT3 H ATOM 44260 OH2 TIP3 6731 39.446 12.423 -16.075 1.00 0.00 WT3 O ATOM 44261 H1 TIP3 6731 40.080 11.805 -16.437 1.00 0.00 WT3 H ATOM 44262 H2 TIP3 6731 39.067 12.855 -16.840 1.00 0.00 WT3 H ATOM 44263 OH2 TIP3 6732 28.133 67.954 47.809 1.00 0.00 WT3 O ATOM 44264 H1 TIP3 6732 28.477 67.071 47.671 1.00 0.00 WT3 H ATOM 44265 H2 TIP3 6732 28.531 68.478 47.114 1.00 0.00 WT3 H ATOM 44266 OH2 TIP3 6733 35.187 12.793 17.738 1.00 0.00 WT3 O ATOM 44267 H1 TIP3 6733 36.082 13.131 17.685 1.00 0.00 WT3 H ATOM 44268 H2 TIP3 6733 35.041 12.646 18.673 1.00 0.00 WT3 H ATOM 44269 OH2 TIP3 6734 29.292 95.127 14.249 1.00 0.00 WT3 O ATOM 44270 H1 TIP3 6734 29.905 94.476 14.590 1.00 0.00 WT3 H ATOM 44271 H2 TIP3 6734 29.847 95.859 13.977 1.00 0.00 WT3 H ATOM 44272 OH2 TIP3 6735 52.490 57.956 60.771 1.00 0.00 WT3 O ATOM 44273 H1 TIP3 6735 53.128 58.181 60.094 1.00 0.00 WT3 H ATOM 44274 H2 TIP3 6735 52.062 58.785 60.982 1.00 0.00 WT3 H ATOM 44275 OH2 TIP3 6736 53.726 90.016 25.861 1.00 0.00 WT3 O ATOM 44276 H1 TIP3 6736 54.446 89.451 25.581 1.00 0.00 WT3 H ATOM 44277 H2 TIP3 6736 54.025 90.393 26.689 1.00 0.00 WT3 H ATOM 44278 OH2 TIP3 6737 60.989 52.601 30.457 1.00 0.00 WT3 O ATOM 44279 H1 TIP3 6737 60.294 53.198 30.181 1.00 0.00 WT3 H ATOM 44280 H2 TIP3 6737 61.289 52.191 29.646 1.00 0.00 WT3 H ATOM 44281 OH2 TIP3 6738 62.535 81.373 23.056 1.00 0.00 WT3 O ATOM 44282 H1 TIP3 6738 63.231 81.427 23.711 1.00 0.00 WT3 H ATOM 44283 H2 TIP3 6738 61.875 80.804 23.452 1.00 0.00 WT3 H ATOM 44284 OH2 TIP3 6739 26.288 21.813 -17.852 1.00 0.00 WT3 O ATOM 44285 H1 TIP3 6739 26.068 21.335 -17.053 1.00 0.00 WT3 H ATOM 44286 H2 TIP3 6739 26.851 21.214 -18.342 1.00 0.00 WT3 H ATOM 44287 OH2 TIP3 6740 24.824 2.611 34.509 1.00 0.00 WT3 O ATOM 44288 H1 TIP3 6740 25.104 1.965 35.157 1.00 0.00 WT3 H ATOM 44289 H2 TIP3 6740 25.429 3.345 34.626 1.00 0.00 WT3 H ATOM 44290 OH2 TIP3 6741 51.113 74.279 32.885 1.00 0.00 WT3 O ATOM 44291 H1 TIP3 6741 50.356 73.722 32.705 1.00 0.00 WT3 H ATOM 44292 H2 TIP3 6741 51.749 73.695 33.297 1.00 0.00 WT3 H ATOM 44293 OH2 TIP3 6742 38.434 94.208 17.254 1.00 0.00 WT3 O ATOM 44294 H1 TIP3 6742 38.941 93.703 17.890 1.00 0.00 WT3 H ATOM 44295 H2 TIP3 6742 37.728 94.601 17.768 1.00 0.00 WT3 H ATOM 44296 OH2 TIP3 6743 83.370 59.035 65.134 1.00 0.00 WT3 O ATOM 44297 H1 TIP3 6743 82.899 59.849 65.311 1.00 0.00 WT3 H ATOM 44298 H2 TIP3 6743 82.758 58.511 64.616 1.00 0.00 WT3 H ATOM 44299 OH2 TIP3 6744 87.333 76.960 14.978 1.00 0.00 WT3 O ATOM 44300 H1 TIP3 6744 87.907 76.900 15.742 1.00 0.00 WT3 H ATOM 44301 H2 TIP3 6744 87.256 77.899 14.809 1.00 0.00 WT3 H ATOM 44302 OH2 TIP3 6745 84.083 27.958 15.676 1.00 0.00 WT3 O ATOM 44303 H1 TIP3 6745 83.354 28.171 16.259 1.00 0.00 WT3 H ATOM 44304 H2 TIP3 6745 83.747 27.256 15.118 1.00 0.00 WT3 H ATOM 44305 OH2 TIP3 6746 60.218 2.052 14.649 1.00 0.00 WT3 O ATOM 44306 H1 TIP3 6746 60.293 2.404 13.762 1.00 0.00 WT3 H ATOM 44307 H2 TIP3 6746 60.550 1.157 14.580 1.00 0.00 WT3 H ATOM 44308 OH2 TIP3 6747 86.189 78.893 41.713 1.00 0.00 WT3 O ATOM 44309 H1 TIP3 6747 85.494 78.634 42.318 1.00 0.00 WT3 H ATOM 44310 H2 TIP3 6747 85.802 78.784 40.844 1.00 0.00 WT3 H ATOM 44311 OH2 TIP3 6749 45.778 26.348 28.859 1.00 0.00 WT3 O ATOM 44312 H1 TIP3 6749 45.514 26.857 29.626 1.00 0.00 WT3 H ATOM 44313 H2 TIP3 6749 45.202 26.653 28.158 1.00 0.00 WT3 H ATOM 44314 OH2 TIP3 6750 60.051 67.413 41.057 1.00 0.00 WT3 O ATOM 44315 H1 TIP3 6750 59.530 67.786 40.346 1.00 0.00 WT3 H ATOM 44316 H2 TIP3 6750 60.488 66.658 40.663 1.00 0.00 WT3 H ATOM 44317 OH2 TIP3 6751 31.230 34.896 21.576 1.00 0.00 WT3 O ATOM 44318 H1 TIP3 6751 31.090 33.949 21.579 1.00 0.00 WT3 H ATOM 44319 H2 TIP3 6751 30.377 35.265 21.806 1.00 0.00 WT3 H ATOM 44320 OH2 TIP3 6752 78.364 58.965 61.974 1.00 0.00 WT3 O ATOM 44321 H1 TIP3 6752 77.872 58.453 61.332 1.00 0.00 WT3 H ATOM 44322 H2 TIP3 6752 77.927 58.789 62.807 1.00 0.00 WT3 H ATOM 44323 OH2 TIP3 6753 27.679 5.660 6.589 1.00 0.00 WT3 O ATOM 44324 H1 TIP3 6753 28.211 5.358 7.325 1.00 0.00 WT3 H ATOM 44325 H2 TIP3 6753 27.345 4.857 6.189 1.00 0.00 WT3 H ATOM 44326 OH2 TIP3 6755 59.751 84.735 36.220 1.00 0.00 WT3 O ATOM 44327 H1 TIP3 6755 59.842 83.820 36.487 1.00 0.00 WT3 H ATOM 44328 H2 TIP3 6755 59.087 84.719 35.531 1.00 0.00 WT3 H ATOM 44329 OH2 TIP3 6757 33.029 93.496 46.313 1.00 0.00 WT3 O ATOM 44330 H1 TIP3 6757 33.235 92.691 45.838 1.00 0.00 WT3 H ATOM 44331 H2 TIP3 6757 33.504 94.180 45.842 1.00 0.00 WT3 H ATOM 44332 OH2 TIP3 6760 89.795 86.053 47.135 1.00 0.00 WT3 O ATOM 44333 H1 TIP3 6760 90.548 86.041 47.725 1.00 0.00 WT3 H ATOM 44334 H2 TIP3 6760 89.138 85.512 47.573 1.00 0.00 WT3 H ATOM 44335 OH2 TIP3 6761 74.649 66.953 30.340 1.00 0.00 WT3 O ATOM 44336 H1 TIP3 6761 73.864 67.165 29.835 1.00 0.00 WT3 H ATOM 44337 H2 TIP3 6761 74.924 66.098 30.009 1.00 0.00 WT3 H ATOM 44338 OH2 TIP3 6762 66.197 82.972 35.867 1.00 0.00 WT3 O ATOM 44339 H1 TIP3 6762 66.107 82.731 36.789 1.00 0.00 WT3 H ATOM 44340 H2 TIP3 6762 65.336 82.795 35.487 1.00 0.00 WT3 H ATOM 44341 OH2 TIP3 6763 81.648 28.532 24.299 1.00 0.00 WT3 O ATOM 44342 H1 TIP3 6763 82.449 28.245 23.859 1.00 0.00 WT3 H ATOM 44343 H2 TIP3 6763 81.656 29.485 24.213 1.00 0.00 WT3 H ATOM 44344 OH2 TIP3 6764 55.330 86.645 -16.579 1.00 0.00 WT3 O ATOM 44345 H1 TIP3 6764 54.519 87.094 -16.816 1.00 0.00 WT3 H ATOM 44346 H2 TIP3 6764 55.811 86.568 -17.403 1.00 0.00 WT3 H ATOM 44347 OH2 TIP3 6765 61.446 87.682 -15.745 1.00 0.00 WT3 O ATOM 44348 H1 TIP3 6765 60.716 87.220 -15.333 1.00 0.00 WT3 H ATOM 44349 H2 TIP3 6765 61.165 88.596 -15.776 1.00 0.00 WT3 H ATOM 44350 OH2 TIP3 6766 69.902 33.823 49.575 1.00 0.00 WT3 O ATOM 44351 H1 TIP3 6766 68.996 33.685 49.851 1.00 0.00 WT3 H ATOM 44352 H2 TIP3 6766 70.001 33.278 48.794 1.00 0.00 WT3 H ATOM 44353 OH2 TIP3 6767 58.827 69.056 59.823 1.00 0.00 WT3 O ATOM 44354 H1 TIP3 6767 59.350 68.642 60.509 1.00 0.00 WT3 H ATOM 44355 H2 TIP3 6767 59.469 69.482 59.255 1.00 0.00 WT3 H ATOM 44356 OH2 TIP3 6769 44.846 39.258 -5.929 1.00 0.00 WT3 O ATOM 44357 H1 TIP3 6769 45.051 40.118 -5.560 1.00 0.00 WT3 H ATOM 44358 H2 TIP3 6769 45.312 38.639 -5.368 1.00 0.00 WT3 H ATOM 44359 OH2 TIP3 6770 81.583 42.305 59.926 1.00 0.00 WT3 O ATOM 44360 H1 TIP3 6770 81.646 43.238 60.133 1.00 0.00 WT3 H ATOM 44361 H2 TIP3 6770 80.707 42.201 59.556 1.00 0.00 WT3 H ATOM 44362 OH2 TIP3 6771 38.117 90.753 7.814 1.00 0.00 WT3 O ATOM 44363 H1 TIP3 6771 38.174 90.169 8.570 1.00 0.00 WT3 H ATOM 44364 H2 TIP3 6771 37.314 90.487 7.365 1.00 0.00 WT3 H ATOM 44365 OH2 TIP3 6772 32.064 92.576 -17.687 1.00 0.00 WT3 O ATOM 44366 H1 TIP3 6772 31.645 92.607 -18.547 1.00 0.00 WT3 H ATOM 44367 H2 TIP3 6772 32.449 93.445 -17.576 1.00 0.00 WT3 H ATOM 44368 OH2 TIP3 6773 73.036 85.555 31.928 1.00 0.00 WT3 O ATOM 44369 H1 TIP3 6773 72.757 85.168 31.098 1.00 0.00 WT3 H ATOM 44370 H2 TIP3 6773 73.753 84.994 32.225 1.00 0.00 WT3 H ATOM 44371 OH2 TIP3 6774 56.890 2.931 44.290 1.00 0.00 WT3 O ATOM 44372 H1 TIP3 6774 56.907 2.674 43.368 1.00 0.00 WT3 H ATOM 44373 H2 TIP3 6774 57.768 2.723 44.612 1.00 0.00 WT3 H ATOM 44374 OH2 TIP3 6775 82.925 90.924 -5.289 1.00 0.00 WT3 O ATOM 44375 H1 TIP3 6775 82.658 91.685 -5.805 1.00 0.00 WT3 H ATOM 44376 H2 TIP3 6775 83.119 90.249 -5.940 1.00 0.00 WT3 H ATOM 44377 OH2 TIP3 6776 21.790 90.910 41.968 1.00 0.00 WT3 O ATOM 44378 H1 TIP3 6776 21.938 90.213 41.329 1.00 0.00 WT3 H ATOM 44379 H2 TIP3 6776 21.067 91.420 41.603 1.00 0.00 WT3 H ATOM 44380 OH2 TIP3 6778 29.779 72.797 50.943 1.00 0.00 WT3 O ATOM 44381 H1 TIP3 6778 29.309 72.072 51.356 1.00 0.00 WT3 H ATOM 44382 H2 TIP3 6778 30.057 72.451 50.095 1.00 0.00 WT3 H ATOM 44383 OH2 TIP3 6779 64.651 16.964 -18.789 1.00 0.00 WT3 O ATOM 44384 H1 TIP3 6779 64.397 17.548 -18.075 1.00 0.00 WT3 H ATOM 44385 H2 TIP3 6779 64.706 17.533 -19.557 1.00 0.00 WT3 H ATOM 44386 OH2 TIP3 6780 50.186 70.842 49.527 1.00 0.00 WT3 O ATOM 44387 H1 TIP3 6780 50.189 70.518 50.428 1.00 0.00 WT3 H ATOM 44388 H2 TIP3 6780 49.385 70.484 49.146 1.00 0.00 WT3 H ATOM 44389 OH2 TIP3 6781 28.875 89.077 33.291 1.00 0.00 WT3 O ATOM 44390 H1 TIP3 6781 28.272 88.675 33.916 1.00 0.00 WT3 H ATOM 44391 H2 TIP3 6781 28.404 89.058 32.457 1.00 0.00 WT3 H ATOM 44392 OH2 TIP3 6782 52.908 53.877 57.186 1.00 0.00 WT3 O ATOM 44393 H1 TIP3 6782 52.646 54.687 56.748 1.00 0.00 WT3 H ATOM 44394 H2 TIP3 6782 52.780 54.056 58.117 1.00 0.00 WT3 H ATOM 44395 OH2 TIP3 6783 22.594 35.417 -2.154 1.00 0.00 WT3 O ATOM 44396 H1 TIP3 6783 21.946 34.947 -1.628 1.00 0.00 WT3 H ATOM 44397 H2 TIP3 6783 23.110 35.908 -1.515 1.00 0.00 WT3 H ATOM 44398 OH2 TIP3 6785 41.616 77.171 11.302 1.00 0.00 WT3 O ATOM 44399 H1 TIP3 6785 42.547 76.947 11.289 1.00 0.00 WT3 H ATOM 44400 H2 TIP3 6785 41.251 76.636 12.008 1.00 0.00 WT3 H ATOM 44401 OH2 TIP3 6786 46.953 -0.148 11.863 1.00 0.00 WT3 O ATOM 44402 H1 TIP3 6786 47.157 0.786 11.911 1.00 0.00 WT3 H ATOM 44403 H2 TIP3 6786 46.330 -0.295 12.574 1.00 0.00 WT3 H ATOM 44404 OH2 TIP3 6787 54.012 19.535 15.737 1.00 0.00 WT3 O ATOM 44405 H1 TIP3 6787 53.289 18.910 15.787 1.00 0.00 WT3 H ATOM 44406 H2 TIP3 6787 53.616 20.332 15.385 1.00 0.00 WT3 H ATOM 44407 OH2 TIP3 6788 24.281 90.675 17.359 1.00 0.00 WT3 O ATOM 44408 H1 TIP3 6788 24.856 90.053 17.805 1.00 0.00 WT3 H ATOM 44409 H2 TIP3 6788 24.877 91.281 16.918 1.00 0.00 WT3 H ATOM 44410 OH2 TIP3 6789 59.542 76.583 6.467 1.00 0.00 WT3 O ATOM 44411 H1 TIP3 6789 58.777 76.294 6.964 1.00 0.00 WT3 H ATOM 44412 H2 TIP3 6789 60.290 76.281 6.982 1.00 0.00 WT3 H ATOM 44413 OH2 TIP3 6791 70.612 94.134 0.174 1.00 0.00 WT3 O ATOM 44414 H1 TIP3 6791 71.446 94.581 0.316 1.00 0.00 WT3 H ATOM 44415 H2 TIP3 6791 70.436 93.685 1.000 1.00 0.00 WT3 H ATOM 44416 OH2 TIP3 6792 60.463 93.441 -8.438 1.00 0.00 WT3 O ATOM 44417 H1 TIP3 6792 60.922 94.274 -8.333 1.00 0.00 WT3 H ATOM 44418 H2 TIP3 6792 60.716 92.929 -7.670 1.00 0.00 WT3 H ATOM 44419 OH2 TIP3 6794 54.354 82.383 5.367 1.00 0.00 WT3 O ATOM 44420 H1 TIP3 6794 54.766 82.756 6.146 1.00 0.00 WT3 H ATOM 44421 H2 TIP3 6794 54.674 82.923 4.644 1.00 0.00 WT3 H ATOM 44422 OH2 TIP3 6795 74.838 43.773 41.231 1.00 0.00 WT3 O ATOM 44423 H1 TIP3 6795 74.996 43.043 40.633 1.00 0.00 WT3 H ATOM 44424 H2 TIP3 6795 73.886 43.879 41.235 1.00 0.00 WT3 H ATOM 44425 OH2 TIP3 6799 58.532 75.628 44.257 1.00 0.00 WT3 O ATOM 44426 H1 TIP3 6799 57.970 75.804 43.502 1.00 0.00 WT3 H ATOM 44427 H2 TIP3 6799 58.004 75.064 44.822 1.00 0.00 WT3 H ATOM 44428 OH2 TIP3 6800 30.319 43.159 17.463 1.00 0.00 WT3 O ATOM 44429 H1 TIP3 6800 31.207 43.423 17.704 1.00 0.00 WT3 H ATOM 44430 H2 TIP3 6800 29.752 43.659 18.050 1.00 0.00 WT3 H ATOM 44431 OH2 TIP3 6802 25.931 86.715 41.387 1.00 0.00 WT3 O ATOM 44432 H1 TIP3 6802 25.255 86.174 41.796 1.00 0.00 WT3 H ATOM 44433 H2 TIP3 6802 26.148 86.256 40.576 1.00 0.00 WT3 H ATOM 44434 OH2 TIP3 6803 65.256 18.958 23.196 1.00 0.00 WT3 O ATOM 44435 H1 TIP3 6803 65.093 19.063 22.258 1.00 0.00 WT3 H ATOM 44436 H2 TIP3 6803 64.978 19.788 23.582 1.00 0.00 WT3 H ATOM 44437 OH2 TIP3 6804 79.149 68.192 29.972 1.00 0.00 WT3 O ATOM 44438 H1 TIP3 6804 78.541 68.679 29.416 1.00 0.00 WT3 H ATOM 44439 H2 TIP3 6804 78.621 67.917 30.722 1.00 0.00 WT3 H ATOM 44440 OH2 TIP3 6806 65.432 63.586 15.870 1.00 0.00 WT3 O ATOM 44441 H1 TIP3 6806 65.284 64.352 15.316 1.00 0.00 WT3 H ATOM 44442 H2 TIP3 6806 64.847 62.917 15.514 1.00 0.00 WT3 H ATOM 44443 OH2 TIP3 6808 63.526 96.249 11.385 1.00 0.00 WT3 O ATOM 44444 H1 TIP3 6808 63.899 95.377 11.515 1.00 0.00 WT3 H ATOM 44445 H2 TIP3 6808 63.544 96.650 12.254 1.00 0.00 WT3 H ATOM 44446 OH2 TIP3 6813 45.252 30.600 -12.888 1.00 0.00 WT3 O ATOM 44447 H1 TIP3 6813 45.103 30.267 -12.003 1.00 0.00 WT3 H ATOM 44448 H2 TIP3 6813 46.119 30.272 -13.125 1.00 0.00 WT3 H ATOM 44449 OH2 TIP3 6814 75.379 87.768 15.245 1.00 0.00 WT3 O ATOM 44450 H1 TIP3 6814 76.288 87.643 14.974 1.00 0.00 WT3 H ATOM 44451 H2 TIP3 6814 75.282 87.216 16.022 1.00 0.00 WT3 H ATOM 44452 OH2 TIP3 6817 46.897 87.996 16.459 1.00 0.00 WT3 O ATOM 44453 H1 TIP3 6817 47.247 87.413 17.133 1.00 0.00 WT3 H ATOM 44454 H2 TIP3 6817 47.660 88.248 15.940 1.00 0.00 WT3 H ATOM 44455 OH2 TIP3 6818 31.884 40.104 -0.296 1.00 0.00 WT3 O ATOM 44456 H1 TIP3 6818 31.853 39.362 0.308 1.00 0.00 WT3 H ATOM 44457 H2 TIP3 6818 32.663 39.947 -0.830 1.00 0.00 WT3 H ATOM 44458 OH2 TIP3 6819 33.299 45.314 14.351 1.00 0.00 WT3 O ATOM 44459 H1 TIP3 6819 33.655 46.192 14.217 1.00 0.00 WT3 H ATOM 44460 H2 TIP3 6819 34.056 44.733 14.268 1.00 0.00 WT3 H ATOM 44461 OH2 TIP3 6820 42.568 69.393 -10.218 1.00 0.00 WT3 O ATOM 44462 H1 TIP3 6820 41.999 70.016 -10.670 1.00 0.00 WT3 H ATOM 44463 H2 TIP3 6820 42.197 69.324 -9.338 1.00 0.00 WT3 H ATOM 44464 OH2 TIP3 6823 81.215 87.040 42.664 1.00 0.00 WT3 O ATOM 44465 H1 TIP3 6823 80.685 87.837 42.662 1.00 0.00 WT3 H ATOM 44466 H2 TIP3 6823 80.652 86.379 43.067 1.00 0.00 WT3 H ATOM 44467 OH2 TIP3 6824 56.859 20.024 40.039 1.00 0.00 WT3 O ATOM 44468 H1 TIP3 6824 56.209 20.719 40.144 1.00 0.00 WT3 H ATOM 44469 H2 TIP3 6824 56.374 19.297 39.649 1.00 0.00 WT3 H ATOM 44470 OH2 TIP3 6825 52.024 20.622 5.036 1.00 0.00 WT3 O ATOM 44471 H1 TIP3 6825 52.432 20.941 5.841 1.00 0.00 WT3 H ATOM 44472 H2 TIP3 6825 52.411 19.758 4.896 1.00 0.00 WT3 H ATOM 44473 OH2 TIP3 6826 60.248 13.318 61.246 1.00 0.00 WT3 O ATOM 44474 H1 TIP3 6826 59.696 12.869 60.606 1.00 0.00 WT3 H ATOM 44475 H2 TIP3 6826 60.035 12.901 62.081 1.00 0.00 WT3 H ATOM 44476 OH2 TIP3 6827 72.916 24.394 -2.705 1.00 0.00 WT3 O ATOM 44477 H1 TIP3 6827 73.734 24.835 -2.474 1.00 0.00 WT3 H ATOM 44478 H2 TIP3 6827 73.183 23.684 -3.289 1.00 0.00 WT3 H ATOM 44479 OH2 TIP3 6837 23.069 79.522 38.099 1.00 0.00 WT3 O ATOM 44480 H1 TIP3 6837 23.976 79.241 37.975 1.00 0.00 WT3 H ATOM 44481 H2 TIP3 6837 22.626 79.270 37.289 1.00 0.00 WT3 H ATOM 44482 OH2 TIP3 6838 69.146 81.452 16.650 1.00 0.00 WT3 O ATOM 44483 H1 TIP3 6838 70.058 81.258 16.868 1.00 0.00 WT3 H ATOM 44484 H2 TIP3 6838 69.025 81.084 15.775 1.00 0.00 WT3 H ATOM 44485 OH2 TIP3 6841 71.417 70.234 41.928 1.00 0.00 WT3 O ATOM 44486 H1 TIP3 6841 71.461 69.452 42.478 1.00 0.00 WT3 H ATOM 44487 H2 TIP3 6841 70.990 69.938 41.124 1.00 0.00 WT3 H ATOM 44488 OH2 TIP3 6842 57.017 95.955 -10.377 1.00 0.00 WT3 O ATOM 44489 H1 TIP3 6842 56.649 95.950 -9.493 1.00 0.00 WT3 H ATOM 44490 H2 TIP3 6842 56.814 95.087 -10.726 1.00 0.00 WT3 H ATOM 44491 OH2 TIP3 6843 27.138 4.464 -17.208 1.00 0.00 WT3 O ATOM 44492 H1 TIP3 6843 27.156 3.508 -17.248 1.00 0.00 WT3 H ATOM 44493 H2 TIP3 6843 26.957 4.663 -16.289 1.00 0.00 WT3 H ATOM 44494 OH2 TIP3 6845 40.969 64.447 60.219 1.00 0.00 WT3 O ATOM 44495 H1 TIP3 6845 40.946 65.296 59.777 1.00 0.00 WT3 H ATOM 44496 H2 TIP3 6845 40.929 64.660 61.151 1.00 0.00 WT3 H ATOM 44497 OH2 TIP3 6853 88.711 72.858 65.694 1.00 0.00 WT3 O ATOM 44498 H1 TIP3 6853 88.246 72.765 64.862 1.00 0.00 WT3 H ATOM 44499 H2 TIP3 6853 89.447 73.437 65.494 1.00 0.00 WT3 H ATOM 44500 OH2 TIP3 6855 44.147 84.235 5.309 1.00 0.00 WT3 O ATOM 44501 H1 TIP3 6855 44.632 83.712 4.670 1.00 0.00 WT3 H ATOM 44502 H2 TIP3 6855 44.796 84.460 5.976 1.00 0.00 WT3 H ATOM 44503 OH2 TIP3 6857 65.533 68.229 3.081 1.00 0.00 WT3 O ATOM 44504 H1 TIP3 6857 65.885 68.183 2.193 1.00 0.00 WT3 H ATOM 44505 H2 TIP3 6857 66.133 67.698 3.605 1.00 0.00 WT3 H ATOM 44506 OH2 TIP3 6860 52.420 24.641 -14.975 1.00 0.00 WT3 O ATOM 44507 H1 TIP3 6860 52.499 25.500 -14.559 1.00 0.00 WT3 H ATOM 44508 H2 TIP3 6860 52.678 24.019 -14.295 1.00 0.00 WT3 H ATOM 44509 OH2 TIP3 6863 23.242 24.704 35.750 1.00 0.00 WT3 O ATOM 44510 H1 TIP3 6863 23.816 25.064 35.074 1.00 0.00 WT3 H ATOM 44511 H2 TIP3 6863 23.834 24.461 36.462 1.00 0.00 WT3 H ATOM 44512 OH2 TIP3 6864 63.374 91.516 -15.440 1.00 0.00 WT3 O ATOM 44513 H1 TIP3 6864 63.502 90.611 -15.725 1.00 0.00 WT3 H ATOM 44514 H2 TIP3 6864 63.896 92.036 -16.051 1.00 0.00 WT3 H ATOM 44515 OH2 TIP3 6865 60.365 83.647 32.892 1.00 0.00 WT3 O ATOM 44516 H1 TIP3 6865 59.748 82.937 32.712 1.00 0.00 WT3 H ATOM 44517 H2 TIP3 6865 60.878 83.335 33.637 1.00 0.00 WT3 H ATOM 44518 OH2 TIP3 6872 87.204 15.832 -12.666 1.00 0.00 WT3 O ATOM 44519 H1 TIP3 6872 87.881 16.159 -13.258 1.00 0.00 WT3 H ATOM 44520 H2 TIP3 6872 87.433 16.200 -11.813 1.00 0.00 WT3 H ATOM 44521 OH2 TIP3 6877 60.976 85.282 -2.661 1.00 0.00 WT3 O ATOM 44522 H1 TIP3 6877 60.346 84.695 -3.079 1.00 0.00 WT3 H ATOM 44523 H2 TIP3 6877 61.206 85.913 -3.343 1.00 0.00 WT3 H ATOM 44524 OH2 TIP3 6878 74.910 0.221 10.151 1.00 0.00 WT3 O ATOM 44525 H1 TIP3 6878 74.818 1.164 10.286 1.00 0.00 WT3 H ATOM 44526 H2 TIP3 6878 75.823 0.035 10.370 1.00 0.00 WT3 H ATOM 44527 OH2 TIP3 6881 61.653 17.010 15.436 1.00 0.00 WT3 O ATOM 44528 H1 TIP3 6881 61.840 16.685 16.317 1.00 0.00 WT3 H ATOM 44529 H2 TIP3 6881 61.632 17.962 15.530 1.00 0.00 WT3 H ATOM 44530 OH2 TIP3 6892 57.947 93.051 2.095 1.00 0.00 WT3 O ATOM 44531 H1 TIP3 6892 57.549 93.321 2.922 1.00 0.00 WT3 H ATOM 44532 H2 TIP3 6892 58.889 93.064 2.267 1.00 0.00 WT3 H ATOM 44533 OH2 TIP3 6895 86.793 11.075 45.911 1.00 0.00 WT3 O ATOM 44534 H1 TIP3 6895 86.315 11.892 46.058 1.00 0.00 WT3 H ATOM 44535 H2 TIP3 6895 87.651 11.224 46.309 1.00 0.00 WT3 H ATOM 44536 OH2 TIP3 6896 74.578 95.629 25.637 1.00 0.00 WT3 O ATOM 44537 H1 TIP3 6896 74.171 95.300 24.836 1.00 0.00 WT3 H ATOM 44538 H2 TIP3 6896 74.313 96.548 25.680 1.00 0.00 WT3 H ATOM 44539 OH2 TIP3 6909 54.494 10.302 36.485 1.00 0.00 WT3 O ATOM 44540 H1 TIP3 6909 55.181 10.049 35.869 1.00 0.00 WT3 H ATOM 44541 H2 TIP3 6909 54.550 11.256 36.529 1.00 0.00 WT3 H ATOM 44542 OH2 TIP3 6916 51.729 11.451 -13.885 1.00 0.00 WT3 O ATOM 44543 H1 TIP3 6916 51.567 12.352 -13.607 1.00 0.00 WT3 H ATOM 44544 H2 TIP3 6916 51.652 11.476 -14.838 1.00 0.00 WT3 H ATOM 44545 OH2 TIP3 6921 81.256 81.341 6.744 1.00 0.00 WT3 O ATOM 44546 H1 TIP3 6921 80.455 80.919 6.435 1.00 0.00 WT3 H ATOM 44547 H2 TIP3 6921 81.963 80.793 6.403 1.00 0.00 WT3 H ATOM 44548 OH2 TIP3 6952 42.245 0.342 30.623 1.00 0.00 WT3 O ATOM 44549 H1 TIP3 6952 43.056 0.039 30.216 1.00 0.00 WT3 H ATOM 44550 H2 TIP3 6952 42.251 1.290 30.493 1.00 0.00 WT3 H ATOM 44551 OH2 TIP3 6953 71.071 68.316 -10.315 1.00 0.00 WT3 O ATOM 44552 H1 TIP3 6953 71.169 67.912 -11.178 1.00 0.00 WT3 H ATOM 44553 H2 TIP3 6953 70.309 68.889 -10.404 1.00 0.00 WT3 H ATOM 44554 OH2 TIP3 6955 48.748 47.105 2.137 1.00 0.00 WT3 O ATOM 44555 H1 TIP3 6955 49.674 46.888 2.035 1.00 0.00 WT3 H ATOM 44556 H2 TIP3 6955 48.721 47.689 2.895 1.00 0.00 WT3 H ATOM 44557 OH2 TIP3 6967 62.881 4.147 27.817 1.00 0.00 WT3 O ATOM 44558 H1 TIP3 6967 62.044 4.433 27.449 1.00 0.00 WT3 H ATOM 44559 H2 TIP3 6967 63.210 4.912 28.288 1.00 0.00 WT3 H ATOM 44560 OH2 TIP3 6976 72.492 83.460 52.004 1.00 0.00 WT3 O ATOM 44561 H1 TIP3 6976 73.198 83.246 51.394 1.00 0.00 WT3 H ATOM 44562 H2 TIP3 6976 72.095 84.252 51.643 1.00 0.00 WT3 H ATOM 44563 OH2 TIP3 6979 43.882 20.482 34.572 1.00 0.00 WT3 O ATOM 44564 H1 TIP3 6979 44.103 20.818 33.703 1.00 0.00 WT3 H ATOM 44565 H2 TIP3 6979 43.802 19.536 34.450 1.00 0.00 WT3 H ATOM 44566 OH2 TIP3 6988 27.877 41.109 7.856 1.00 0.00 WT3 O ATOM 44567 H1 TIP3 6988 27.159 41.130 8.488 1.00 0.00 WT3 H ATOM 44568 H2 TIP3 6988 28.479 40.447 8.199 1.00 0.00 WT3 H ATOM 44569 OH2 TIP3 6994 63.696 56.218 37.287 1.00 0.00 WT3 O ATOM 44570 H1 TIP3 6994 62.832 56.573 37.497 1.00 0.00 WT3 H ATOM 44571 H2 TIP3 6994 63.530 55.569 36.604 1.00 0.00 WT3 H ATOM 44572 OH2 TIP3 7003 59.668 69.723 25.236 1.00 0.00 WT3 O ATOM 44573 H1 TIP3 7003 59.300 70.122 24.447 1.00 0.00 WT3 H ATOM 44574 H2 TIP3 7003 59.811 68.807 24.997 1.00 0.00 WT3 H ATOM 44575 OH2 TIP3 7012 30.747 55.545 52.042 1.00 0.00 WT3 O ATOM 44576 H1 TIP3 7012 30.930 56.046 51.247 1.00 0.00 WT3 H ATOM 44577 H2 TIP3 7012 30.036 56.023 52.469 1.00 0.00 WT3 H ATOM 44578 OH2 TIP3 7016 61.824 45.107 11.064 1.00 0.00 WT3 O ATOM 44579 H1 TIP3 7016 61.108 44.490 11.213 1.00 0.00 WT3 H ATOM 44580 H2 TIP3 7016 61.582 45.882 11.572 1.00 0.00 WT3 H ATOM 44581 OH2 TIP3 7017 37.453 83.065 -4.792 1.00 0.00 WT3 O ATOM 44582 H1 TIP3 7017 36.541 83.349 -4.736 1.00 0.00 WT3 H ATOM 44583 H2 TIP3 7017 37.406 82.109 -4.808 1.00 0.00 WT3 H ATOM 44584 OH2 TIP3 7019 51.908 67.596 51.158 1.00 0.00 WT3 O ATOM 44585 H1 TIP3 7019 52.634 67.809 51.744 1.00 0.00 WT3 H ATOM 44586 H2 TIP3 7019 52.270 66.949 50.553 1.00 0.00 WT3 H ATOM 44587 OH2 TIP3 7020 21.852 71.489 -17.473 1.00 0.00 WT3 O ATOM 44588 H1 TIP3 7020 22.445 72.135 -17.089 1.00 0.00 WT3 H ATOM 44589 H2 TIP3 7020 21.599 70.929 -16.739 1.00 0.00 WT3 H ATOM 44590 OH2 TIP3 7021 58.041 76.941 16.581 1.00 0.00 WT3 O ATOM 44591 H1 TIP3 7021 58.485 76.390 17.226 1.00 0.00 WT3 H ATOM 44592 H2 TIP3 7021 58.100 77.826 16.941 1.00 0.00 WT3 H ATOM 44593 OH2 TIP3 7023 22.188 70.989 16.077 1.00 0.00 WT3 O ATOM 44594 H1 TIP3 7023 21.832 70.381 16.725 1.00 0.00 WT3 H ATOM 44595 H2 TIP3 7023 23.137 70.932 16.191 1.00 0.00 WT3 H ATOM 44596 OH2 TIP3 7027 43.315 22.327 -5.192 1.00 0.00 WT3 O ATOM 44597 H1 TIP3 7027 44.268 22.250 -5.165 1.00 0.00 WT3 H ATOM 44598 H2 TIP3 7027 43.024 22.023 -4.333 1.00 0.00 WT3 H ATOM 44599 OH2 TIP3 7029 55.478 82.695 12.876 1.00 0.00 WT3 O ATOM 44600 H1 TIP3 7029 56.004 82.039 13.333 1.00 0.00 WT3 H ATOM 44601 H2 TIP3 7029 55.001 82.199 12.210 1.00 0.00 WT3 H ATOM 44602 OH2 TIP3 7040 42.284 63.751 -19.252 1.00 0.00 WT3 O ATOM 44603 H1 TIP3 7040 42.234 63.847 -18.301 1.00 0.00 WT3 H ATOM 44604 H2 TIP3 7040 43.106 64.178 -19.494 1.00 0.00 WT3 H ATOM 44605 OH2 TIP3 7041 28.095 69.042 5.553 1.00 0.00 WT3 O ATOM 44606 H1 TIP3 7041 27.913 68.487 4.795 1.00 0.00 WT3 H ATOM 44607 H2 TIP3 7041 28.989 68.814 5.809 1.00 0.00 WT3 H ATOM 44608 OH2 TIP3 7042 49.579 95.061 26.688 1.00 0.00 WT3 O ATOM 44609 H1 TIP3 7042 48.880 95.649 26.404 1.00 0.00 WT3 H ATOM 44610 H2 TIP3 7042 50.273 95.182 26.040 1.00 0.00 WT3 H ATOM 44611 OH2 TIP3 7043 24.686 27.957 39.273 1.00 0.00 WT3 O ATOM 44612 H1 TIP3 7043 24.297 27.109 39.058 1.00 0.00 WT3 H ATOM 44613 H2 TIP3 7043 24.038 28.599 38.984 1.00 0.00 WT3 H ATOM 44614 OH2 TIP3 7048 64.175 86.321 38.783 1.00 0.00 WT3 O ATOM 44615 H1 TIP3 7048 64.533 86.097 39.641 1.00 0.00 WT3 H ATOM 44616 H2 TIP3 7048 63.295 85.942 38.783 1.00 0.00 WT3 H ATOM 44617 OH2 TIP3 7050 71.666 58.003 26.007 1.00 0.00 WT3 O ATOM 44618 H1 TIP3 7050 70.769 58.338 26.014 1.00 0.00 WT3 H ATOM 44619 H2 TIP3 7050 71.576 57.071 26.205 1.00 0.00 WT3 H ATOM 44620 OH2 TIP3 7051 89.133 67.813 53.074 1.00 0.00 WT3 O ATOM 44621 H1 TIP3 7051 89.467 68.272 52.303 1.00 0.00 WT3 H ATOM 44622 H2 TIP3 7051 89.658 67.014 53.123 1.00 0.00 WT3 H ATOM 44623 OH2 TIP3 7052 20.592 20.476 59.332 1.00 0.00 WT3 O ATOM 44624 H1 TIP3 7052 21.457 20.068 59.326 1.00 0.00 WT3 H ATOM 44625 H2 TIP3 7052 20.689 21.236 59.907 1.00 0.00 WT3 H ATOM 44626 OH2 TIP3 7053 56.007 57.940 20.061 1.00 0.00 WT3 O ATOM 44627 H1 TIP3 7053 56.594 57.216 19.846 1.00 0.00 WT3 H ATOM 44628 H2 TIP3 7053 55.373 57.956 19.343 1.00 0.00 WT3 H ATOM 44629 OH2 TIP3 7054 50.148 59.299 5.008 1.00 0.00 WT3 O ATOM 44630 H1 TIP3 7054 50.940 58.857 4.702 1.00 0.00 WT3 H ATOM 44631 H2 TIP3 7054 50.469 60.073 5.471 1.00 0.00 WT3 H ATOM 44632 OH2 TIP3 7056 46.432 74.774 3.754 1.00 0.00 WT3 O ATOM 44633 H1 TIP3 7056 46.792 74.029 3.272 1.00 0.00 WT3 H ATOM 44634 H2 TIP3 7056 45.792 74.386 4.351 1.00 0.00 WT3 H ATOM 44635 OH2 TIP3 7058 81.326 78.114 -2.323 1.00 0.00 WT3 O ATOM 44636 H1 TIP3 7058 80.743 77.491 -2.757 1.00 0.00 WT3 H ATOM 44637 H2 TIP3 7058 80.982 78.184 -1.432 1.00 0.00 WT3 H ATOM 44638 OH2 TIP3 7059 87.095 24.560 2.807 1.00 0.00 WT3 O ATOM 44639 H1 TIP3 7059 87.631 24.284 2.064 1.00 0.00 WT3 H ATOM 44640 H2 TIP3 7059 87.358 23.980 3.522 1.00 0.00 WT3 H ATOM 44641 OH2 TIP3 7060 54.268 85.680 41.135 1.00 0.00 WT3 O ATOM 44642 H1 TIP3 7060 55.092 86.168 41.162 1.00 0.00 WT3 H ATOM 44643 H2 TIP3 7060 54.178 85.314 42.015 1.00 0.00 WT3 H ATOM 44644 OH2 TIP3 7062 31.516 19.478 54.684 1.00 0.00 WT3 O ATOM 44645 H1 TIP3 7062 32.029 18.707 54.442 1.00 0.00 WT3 H ATOM 44646 H2 TIP3 7062 32.115 20.011 55.206 1.00 0.00 WT3 H ATOM 44647 OH2 TIP3 7063 23.623 85.392 57.660 1.00 0.00 WT3 O ATOM 44648 H1 TIP3 7063 23.817 86.107 58.267 1.00 0.00 WT3 H ATOM 44649 H2 TIP3 7063 23.053 84.805 58.156 1.00 0.00 WT3 H ATOM 44650 OH2 TIP3 7065 82.638 22.623 -5.355 1.00 0.00 WT3 O ATOM 44651 H1 TIP3 7065 83.487 22.553 -4.919 1.00 0.00 WT3 H ATOM 44652 H2 TIP3 7065 82.523 21.781 -5.795 1.00 0.00 WT3 H ATOM 44653 OH2 TIP3 7069 61.635 47.540 61.220 1.00 0.00 WT3 O ATOM 44654 H1 TIP3 7069 62.188 48.092 60.667 1.00 0.00 WT3 H ATOM 44655 H2 TIP3 7069 60.827 47.429 60.717 1.00 0.00 WT3 H ATOM 44656 OH2 TIP3 7071 28.817 65.251 29.174 1.00 0.00 WT3 O ATOM 44657 H1 TIP3 7071 29.504 65.885 28.965 1.00 0.00 WT3 H ATOM 44658 H2 TIP3 7071 28.255 65.241 28.400 1.00 0.00 WT3 H ATOM 44659 OH2 TIP3 7073 53.567 95.191 26.077 1.00 0.00 WT3 O ATOM 44660 H1 TIP3 7073 53.402 94.336 26.475 1.00 0.00 WT3 H ATOM 44661 H2 TIP3 7073 54.219 95.599 26.647 1.00 0.00 WT3 H ATOM 44662 OH2 TIP3 7074 66.116 59.244 39.161 1.00 0.00 WT3 O ATOM 44663 H1 TIP3 7074 65.234 59.130 38.807 1.00 0.00 WT3 H ATOM 44664 H2 TIP3 7074 66.687 58.818 38.522 1.00 0.00 WT3 H ATOM 44665 OH2 TIP3 7075 22.691 64.042 62.026 1.00 0.00 WT3 O ATOM 44666 H1 TIP3 7075 23.554 64.162 61.628 1.00 0.00 WT3 H ATOM 44667 H2 TIP3 7075 22.360 63.232 61.639 1.00 0.00 WT3 H ATOM 44668 OH2 TIP3 7076 86.527 16.275 -16.538 1.00 0.00 WT3 O ATOM 44669 H1 TIP3 7076 87.327 15.767 -16.403 1.00 0.00 WT3 H ATOM 44670 H2 TIP3 7076 86.076 16.239 -15.695 1.00 0.00 WT3 H ATOM 44671 OH2 TIP3 7077 62.682 26.995 64.382 1.00 0.00 WT3 O ATOM 44672 H1 TIP3 7077 63.572 26.645 64.334 1.00 0.00 WT3 H ATOM 44673 H2 TIP3 7077 62.756 27.760 64.954 1.00 0.00 WT3 H ATOM 44674 OH2 TIP3 7078 48.560 37.269 52.155 1.00 0.00 WT3 O ATOM 44675 H1 TIP3 7078 48.111 37.836 51.529 1.00 0.00 WT3 H ATOM 44676 H2 TIP3 7078 48.951 36.580 51.617 1.00 0.00 WT3 H ATOM 44677 OH2 TIP3 7079 89.146 34.168 21.789 1.00 0.00 WT3 O ATOM 44678 H1 TIP3 7079 89.202 35.083 21.513 1.00 0.00 WT3 H ATOM 44679 H2 TIP3 7079 88.556 34.180 22.543 1.00 0.00 WT3 H ATOM 44680 OH2 TIP3 7081 80.828 82.004 66.417 1.00 0.00 WT3 O ATOM 44681 H1 TIP3 7081 80.735 82.932 66.201 1.00 0.00 WT3 H ATOM 44682 H2 TIP3 7081 81.736 81.914 66.705 1.00 0.00 WT3 H ATOM 44683 OH2 TIP3 7082 27.699 20.575 41.943 1.00 0.00 WT3 O ATOM 44684 H1 TIP3 7082 28.374 21.168 42.271 1.00 0.00 WT3 H ATOM 44685 H2 TIP3 7082 26.886 21.077 42.007 1.00 0.00 WT3 H ATOM 44686 OH2 TIP3 7086 23.594 93.998 30.759 1.00 0.00 WT3 O ATOM 44687 H1 TIP3 7086 24.543 93.937 30.647 1.00 0.00 WT3 H ATOM 44688 H2 TIP3 7086 23.464 93.980 31.707 1.00 0.00 WT3 H ATOM 44689 OH2 TIP3 7088 59.424 87.713 25.991 1.00 0.00 WT3 O ATOM 44690 H1 TIP3 7088 60.307 87.347 25.930 1.00 0.00 WT3 H ATOM 44691 H2 TIP3 7088 58.956 87.113 26.572 1.00 0.00 WT3 H ATOM 44692 OH2 TIP3 7089 82.754 56.542 55.268 1.00 0.00 WT3 O ATOM 44693 H1 TIP3 7089 81.808 56.420 55.189 1.00 0.00 WT3 H ATOM 44694 H2 TIP3 7089 82.933 56.435 56.202 1.00 0.00 WT3 H ATOM 44695 OH2 TIP3 7090 45.032 92.918 9.242 1.00 0.00 WT3 O ATOM 44696 H1 TIP3 7090 44.823 92.046 8.906 1.00 0.00 WT3 H ATOM 44697 H2 TIP3 7090 45.666 92.760 9.942 1.00 0.00 WT3 H ATOM 44698 OH2 TIP3 7091 61.607 23.616 -5.007 1.00 0.00 WT3 O ATOM 44699 H1 TIP3 7091 62.394 23.282 -4.578 1.00 0.00 WT3 H ATOM 44700 H2 TIP3 7091 60.987 23.760 -4.293 1.00 0.00 WT3 H ATOM 44701 OH2 TIP3 7092 74.441 54.951 15.643 1.00 0.00 WT3 O ATOM 44702 H1 TIP3 7092 74.319 54.011 15.778 1.00 0.00 WT3 H ATOM 44703 H2 TIP3 7092 75.362 55.040 15.396 1.00 0.00 WT3 H ATOM 44704 OH2 TIP3 7095 73.463 3.770 39.284 1.00 0.00 WT3 O ATOM 44705 H1 TIP3 7095 74.285 3.718 38.798 1.00 0.00 WT3 H ATOM 44706 H2 TIP3 7095 73.718 4.068 40.157 1.00 0.00 WT3 H ATOM 44707 OH2 TIP3 7096 66.598 39.441 -12.237 1.00 0.00 WT3 O ATOM 44708 H1 TIP3 7096 67.211 39.263 -12.950 1.00 0.00 WT3 H ATOM 44709 H2 TIP3 7096 65.777 39.662 -12.676 1.00 0.00 WT3 H ATOM 44710 OH2 TIP3 7097 36.606 37.397 2.560 1.00 0.00 WT3 O ATOM 44711 H1 TIP3 7097 37.515 37.300 2.276 1.00 0.00 WT3 H ATOM 44712 H2 TIP3 7097 36.646 38.031 3.276 1.00 0.00 WT3 H ATOM 44713 OH2 TIP3 7098 80.470 10.266 59.481 1.00 0.00 WT3 O ATOM 44714 H1 TIP3 7098 80.735 11.186 59.470 1.00 0.00 WT3 H ATOM 44715 H2 TIP3 7098 79.543 10.280 59.244 1.00 0.00 WT3 H ATOM 44716 OH2 TIP3 7099 86.662 75.709 30.499 1.00 0.00 WT3 O ATOM 44717 H1 TIP3 7099 87.143 75.445 29.715 1.00 0.00 WT3 H ATOM 44718 H2 TIP3 7099 85.767 75.406 30.345 1.00 0.00 WT3 H ATOM 44719 OH2 TIP3 7101 72.409 64.165 42.466 1.00 0.00 WT3 O ATOM 44720 H1 TIP3 7101 72.048 64.895 41.962 1.00 0.00 WT3 H ATOM 44721 H2 TIP3 7101 71.658 63.598 42.639 1.00 0.00 WT3 H ATOM 44722 OH2 TIP3 7102 25.881 9.418 -19.751 1.00 0.00 WT3 O ATOM 44723 H1 TIP3 7102 26.795 9.194 -19.927 1.00 0.00 WT3 H ATOM 44724 H2 TIP3 7102 25.381 8.688 -20.117 1.00 0.00 WT3 H ATOM 44725 OH2 TIP3 7103 62.173 74.052 -7.936 1.00 0.00 WT3 O ATOM 44726 H1 TIP3 7103 63.057 74.362 -7.743 1.00 0.00 WT3 H ATOM 44727 H2 TIP3 7103 62.095 73.230 -7.452 1.00 0.00 WT3 H ATOM 44728 OH2 TIP3 7104 80.388 1.568 53.365 1.00 0.00 WT3 O ATOM 44729 H1 TIP3 7104 80.901 1.877 54.112 1.00 0.00 WT3 H ATOM 44730 H2 TIP3 7104 80.839 1.926 52.600 1.00 0.00 WT3 H ATOM 44731 OH2 TIP3 7106 37.917 83.981 17.281 1.00 0.00 WT3 O ATOM 44732 H1 TIP3 7106 37.354 83.776 16.535 1.00 0.00 WT3 H ATOM 44733 H2 TIP3 7106 38.228 83.129 17.588 1.00 0.00 WT3 H ATOM 44734 OH2 TIP3 7111 30.944 89.891 -3.406 1.00 0.00 WT3 O ATOM 44735 H1 TIP3 7111 30.294 89.475 -2.839 1.00 0.00 WT3 H ATOM 44736 H2 TIP3 7111 31.680 90.085 -2.826 1.00 0.00 WT3 H ATOM 44737 OH2 TIP3 7113 68.757 79.590 35.465 1.00 0.00 WT3 O ATOM 44738 H1 TIP3 7113 68.658 78.704 35.117 1.00 0.00 WT3 H ATOM 44739 H2 TIP3 7113 67.978 80.055 35.162 1.00 0.00 WT3 H ATOM 44740 OH2 TIP3 7114 65.712 14.742 -14.916 1.00 0.00 WT3 O ATOM 44741 H1 TIP3 7114 66.319 15.468 -14.775 1.00 0.00 WT3 H ATOM 44742 H2 TIP3 7114 65.067 14.829 -14.214 1.00 0.00 WT3 H ATOM 44743 OH2 TIP3 7115 35.200 87.520 20.535 1.00 0.00 WT3 O ATOM 44744 H1 TIP3 7115 34.334 87.447 20.134 1.00 0.00 WT3 H ATOM 44745 H2 TIP3 7115 35.808 87.257 19.843 1.00 0.00 WT3 H ATOM 44746 OH2 TIP3 7117 69.721 79.141 6.146 1.00 0.00 WT3 O ATOM 44747 H1 TIP3 7117 68.799 78.983 5.942 1.00 0.00 WT3 H ATOM 44748 H2 TIP3 7117 69.851 78.735 7.003 1.00 0.00 WT3 H ATOM 44749 OH2 TIP3 7118 66.852 72.017 56.688 1.00 0.00 WT3 O ATOM 44750 H1 TIP3 7118 67.100 72.750 57.252 1.00 0.00 WT3 H ATOM 44751 H2 TIP3 7118 66.315 72.414 56.002 1.00 0.00 WT3 H ATOM 44752 OH2 TIP3 7119 66.478 63.640 -4.847 1.00 0.00 WT3 O ATOM 44753 H1 TIP3 7119 67.387 63.856 -5.054 1.00 0.00 WT3 H ATOM 44754 H2 TIP3 7119 66.405 62.705 -5.036 1.00 0.00 WT3 H ATOM 44755 OH2 TIP3 7120 87.512 21.577 8.577 1.00 0.00 WT3 O ATOM 44756 H1 TIP3 7120 87.926 22.436 8.666 1.00 0.00 WT3 H ATOM 44757 H2 TIP3 7120 87.975 21.021 9.204 1.00 0.00 WT3 H ATOM 44758 OH2 TIP3 7121 31.090 65.261 -19.908 1.00 0.00 WT3 O ATOM 44759 H1 TIP3 7121 31.945 65.584 -19.623 1.00 0.00 WT3 H ATOM 44760 H2 TIP3 7121 30.565 65.236 -19.108 1.00 0.00 WT3 H ATOM 44761 OH2 TIP3 7122 28.305 56.397 6.749 1.00 0.00 WT3 O ATOM 44762 H1 TIP3 7122 28.741 55.999 5.995 1.00 0.00 WT3 H ATOM 44763 H2 TIP3 7122 29.020 56.690 7.313 1.00 0.00 WT3 H ATOM 44764 OH2 TIP3 7123 25.202 82.079 24.229 1.00 0.00 WT3 O ATOM 44765 H1 TIP3 7123 24.635 81.548 23.671 1.00 0.00 WT3 H ATOM 44766 H2 TIP3 7123 24.972 82.983 24.013 1.00 0.00 WT3 H ATOM 44767 OH2 TIP3 7126 46.756 62.698 -8.127 1.00 0.00 WT3 O ATOM 44768 H1 TIP3 7126 47.488 62.122 -7.905 1.00 0.00 WT3 H ATOM 44769 H2 TIP3 7126 46.610 63.216 -7.335 1.00 0.00 WT3 H ATOM 44770 OH2 TIP3 7127 71.962 78.924 42.243 1.00 0.00 WT3 O ATOM 44771 H1 TIP3 7127 71.303 79.339 41.687 1.00 0.00 WT3 H ATOM 44772 H2 TIP3 7127 72.798 79.236 41.897 1.00 0.00 WT3 H ATOM 44773 OH2 TIP3 7128 31.313 34.546 52.599 1.00 0.00 WT3 O ATOM 44774 H1 TIP3 7128 31.238 35.410 52.195 1.00 0.00 WT3 H ATOM 44775 H2 TIP3 7128 31.098 33.932 51.896 1.00 0.00 WT3 H ATOM 44776 OH2 TIP3 7129 61.923 85.066 38.242 1.00 0.00 WT3 O ATOM 44777 H1 TIP3 7129 61.513 85.187 37.385 1.00 0.00 WT3 H ATOM 44778 H2 TIP3 7129 62.408 84.245 38.162 1.00 0.00 WT3 H ATOM 44779 OH2 TIP3 7131 58.480 21.723 48.871 1.00 0.00 WT3 O ATOM 44780 H1 TIP3 7131 57.774 21.164 48.545 1.00 0.00 WT3 H ATOM 44781 H2 TIP3 7131 58.086 22.207 49.597 1.00 0.00 WT3 H ATOM 44782 OH2 TIP3 7133 40.761 73.486 -4.514 1.00 0.00 WT3 O ATOM 44783 H1 TIP3 7133 40.868 72.703 -3.973 1.00 0.00 WT3 H ATOM 44784 H2 TIP3 7133 41.655 73.771 -4.703 1.00 0.00 WT3 H ATOM 44785 OH2 TIP3 7134 28.091 68.146 2.018 1.00 0.00 WT3 O ATOM 44786 H1 TIP3 7134 27.511 68.745 1.548 1.00 0.00 WT3 H ATOM 44787 H2 TIP3 7134 27.504 67.613 2.554 1.00 0.00 WT3 H ATOM 44788 OH2 TIP3 7135 21.697 53.077 37.656 1.00 0.00 WT3 O ATOM 44789 H1 TIP3 7135 21.365 53.643 38.353 1.00 0.00 WT3 H ATOM 44790 H2 TIP3 7135 21.121 52.312 37.673 1.00 0.00 WT3 H ATOM 44791 OH2 TIP3 7136 64.217 82.854 48.755 1.00 0.00 WT3 O ATOM 44792 H1 TIP3 7136 63.826 83.716 48.897 1.00 0.00 WT3 H ATOM 44793 H2 TIP3 7136 65.138 83.036 48.565 1.00 0.00 WT3 H ATOM 44794 OH2 TIP3 7137 44.652 27.034 45.127 1.00 0.00 WT3 O ATOM 44795 H1 TIP3 7137 44.815 26.851 44.202 1.00 0.00 WT3 H ATOM 44796 H2 TIP3 7137 44.459 27.971 45.156 1.00 0.00 WT3 H ATOM 44797 OH2 TIP3 7139 26.797 54.255 7.673 1.00 0.00 WT3 O ATOM 44798 H1 TIP3 7139 26.587 54.706 8.491 1.00 0.00 WT3 H ATOM 44799 H2 TIP3 7139 27.315 54.888 7.176 1.00 0.00 WT3 H ATOM 44800 OH2 TIP3 7140 88.660 61.265 10.851 1.00 0.00 WT3 O ATOM 44801 H1 TIP3 7140 88.806 61.825 11.614 1.00 0.00 WT3 H ATOM 44802 H2 TIP3 7140 89.482 61.305 10.363 1.00 0.00 WT3 H ATOM 44803 OH2 TIP3 7141 61.152 92.288 -6.099 1.00 0.00 WT3 O ATOM 44804 H1 TIP3 7141 60.618 91.495 -6.147 1.00 0.00 WT3 H ATOM 44805 H2 TIP3 7141 60.647 92.885 -5.547 1.00 0.00 WT3 H ATOM 44806 OH2 TIP3 7142 70.453 33.346 24.962 1.00 0.00 WT3 O ATOM 44807 H1 TIP3 7142 70.276 34.248 25.229 1.00 0.00 WT3 H ATOM 44808 H2 TIP3 7142 70.173 33.307 24.047 1.00 0.00 WT3 H ATOM 44809 OH2 TIP3 7143 25.516 46.980 53.024 1.00 0.00 WT3 O ATOM 44810 H1 TIP3 7143 26.450 46.778 52.962 1.00 0.00 WT3 H ATOM 44811 H2 TIP3 7143 25.084 46.253 52.575 1.00 0.00 WT3 H ATOM 44812 OH2 TIP3 7144 45.050 14.026 27.582 1.00 0.00 WT3 O ATOM 44813 H1 TIP3 7144 45.004 14.238 26.650 1.00 0.00 WT3 H ATOM 44814 H2 TIP3 7144 45.942 13.704 27.712 1.00 0.00 WT3 H ATOM 44815 OH2 TIP3 7145 51.158 91.975 -14.625 1.00 0.00 WT3 O ATOM 44816 H1 TIP3 7145 51.734 91.230 -14.796 1.00 0.00 WT3 H ATOM 44817 H2 TIP3 7145 50.737 91.766 -13.791 1.00 0.00 WT3 H ATOM 44818 OH2 TIP3 7146 34.705 30.233 36.985 1.00 0.00 WT3 O ATOM 44819 H1 TIP3 7146 35.053 30.446 37.851 1.00 0.00 WT3 H ATOM 44820 H2 TIP3 7146 35.173 30.816 36.388 1.00 0.00 WT3 H ATOM 44821 OH2 TIP3 7147 72.632 81.164 8.318 1.00 0.00 WT3 O ATOM 44822 H1 TIP3 7147 73.432 81.257 7.800 1.00 0.00 WT3 H ATOM 44823 H2 TIP3 7147 72.543 80.221 8.454 1.00 0.00 WT3 H ATOM 44824 OH2 TIP3 7148 51.204 25.090 17.992 1.00 0.00 WT3 O ATOM 44825 H1 TIP3 7148 50.971 26.013 17.894 1.00 0.00 WT3 H ATOM 44826 H2 TIP3 7148 50.707 24.643 17.307 1.00 0.00 WT3 H ATOM 44827 OH2 TIP3 7150 66.863 16.486 57.661 1.00 0.00 WT3 O ATOM 44828 H1 TIP3 7150 66.602 17.066 56.945 1.00 0.00 WT3 H ATOM 44829 H2 TIP3 7150 67.325 15.767 57.231 1.00 0.00 WT3 H ATOM 44830 OH2 TIP3 7152 33.784 88.501 25.835 1.00 0.00 WT3 O ATOM 44831 H1 TIP3 7152 34.029 87.800 25.231 1.00 0.00 WT3 H ATOM 44832 H2 TIP3 7152 34.224 88.276 26.655 1.00 0.00 WT3 H ATOM 44833 OH2 TIP3 7153 34.790 55.198 19.701 1.00 0.00 WT3 O ATOM 44834 H1 TIP3 7153 34.816 54.561 20.416 1.00 0.00 WT3 H ATOM 44835 H2 TIP3 7153 35.688 55.226 19.372 1.00 0.00 WT3 H ATOM 44836 OH2 TIP3 7154 60.202 78.158 18.163 1.00 0.00 WT3 O ATOM 44837 H1 TIP3 7154 60.531 77.699 17.391 1.00 0.00 WT3 H ATOM 44838 H2 TIP3 7154 60.941 78.165 18.772 1.00 0.00 WT3 H ATOM 44839 OH2 TIP3 7155 80.166 54.566 58.899 1.00 0.00 WT3 O ATOM 44840 H1 TIP3 7155 79.750 54.236 59.695 1.00 0.00 WT3 H ATOM 44841 H2 TIP3 7155 80.164 55.517 59.003 1.00 0.00 WT3 H ATOM 44842 OH2 TIP3 7156 90.006 93.088 16.373 1.00 0.00 WT3 O ATOM 44843 H1 TIP3 7156 90.732 93.035 15.752 1.00 0.00 WT3 H ATOM 44844 H2 TIP3 7156 90.422 93.048 17.233 1.00 0.00 WT3 H ATOM 44845 OH2 TIP3 7157 33.224 68.522 20.822 1.00 0.00 WT3 O ATOM 44846 H1 TIP3 7157 33.757 68.823 20.085 1.00 0.00 WT3 H ATOM 44847 H2 TIP3 7157 33.829 68.505 21.564 1.00 0.00 WT3 H ATOM 44848 OH2 TIP3 7158 67.080 60.899 52.203 1.00 0.00 WT3 O ATOM 44849 H1 TIP3 7158 66.746 60.056 51.896 1.00 0.00 WT3 H ATOM 44850 H2 TIP3 7158 66.299 61.389 52.459 1.00 0.00 WT3 H ATOM 44851 OH2 TIP3 7159 45.145 2.955 17.541 1.00 0.00 WT3 O ATOM 44852 H1 TIP3 7159 45.207 2.759 16.606 1.00 0.00 WT3 H ATOM 44853 H2 TIP3 7159 45.189 2.099 17.969 1.00 0.00 WT3 H ATOM 44854 OH2 TIP3 7160 43.952 36.959 -15.011 1.00 0.00 WT3 O ATOM 44855 H1 TIP3 7160 43.923 37.910 -14.899 1.00 0.00 WT3 H ATOM 44856 H2 TIP3 7160 43.530 36.612 -14.225 1.00 0.00 WT3 H ATOM 44857 OH2 TIP3 7161 74.045 95.738 -6.535 1.00 0.00 WT3 O ATOM 44858 H1 TIP3 7161 74.715 96.093 -7.119 1.00 0.00 WT3 H ATOM 44859 H2 TIP3 7161 73.483 96.486 -6.332 1.00 0.00 WT3 H ATOM 44860 OH2 TIP3 7162 74.465 67.164 62.562 1.00 0.00 WT3 O ATOM 44861 H1 TIP3 7162 74.231 66.898 61.672 1.00 0.00 WT3 H ATOM 44862 H2 TIP3 7162 73.628 67.366 62.979 1.00 0.00 WT3 H ATOM 44863 OH2 TIP3 7163 76.536 59.989 29.666 1.00 0.00 WT3 O ATOM 44864 H1 TIP3 7163 77.243 60.504 29.277 1.00 0.00 WT3 H ATOM 44865 H2 TIP3 7163 76.161 59.504 28.932 1.00 0.00 WT3 H ATOM 44866 OH2 TIP3 7164 37.576 90.771 20.199 1.00 0.00 WT3 O ATOM 44867 H1 TIP3 7164 36.859 91.325 19.892 1.00 0.00 WT3 H ATOM 44868 H2 TIP3 7164 37.221 89.882 20.171 1.00 0.00 WT3 H ATOM 44869 OH2 TIP3 7165 73.440 20.237 58.015 1.00 0.00 WT3 O ATOM 44870 H1 TIP3 7165 72.682 20.582 58.488 1.00 0.00 WT3 H ATOM 44871 H2 TIP3 7165 74.184 20.729 58.362 1.00 0.00 WT3 H ATOM 44872 OH2 TIP3 7166 51.508 34.180 61.650 1.00 0.00 WT3 O ATOM 44873 H1 TIP3 7166 51.360 35.111 61.818 1.00 0.00 WT3 H ATOM 44874 H2 TIP3 7166 51.214 34.050 60.748 1.00 0.00 WT3 H ATOM 44875 OH2 TIP3 7167 90.177 78.199 46.653 1.00 0.00 WT3 O ATOM 44876 H1 TIP3 7167 89.428 78.773 46.492 1.00 0.00 WT3 H ATOM 44877 H2 TIP3 7167 90.067 77.911 47.560 1.00 0.00 WT3 H ATOM 44878 OH2 TIP3 7168 74.511 49.501 -15.674 1.00 0.00 WT3 O ATOM 44879 H1 TIP3 7168 73.725 49.672 -16.193 1.00 0.00 WT3 H ATOM 44880 H2 TIP3 7168 74.342 48.657 -15.254 1.00 0.00 WT3 H ATOM 44881 OH2 TIP3 7169 65.564 13.050 -4.214 1.00 0.00 WT3 O ATOM 44882 H1 TIP3 7169 66.505 13.211 -4.146 1.00 0.00 WT3 H ATOM 44883 H2 TIP3 7169 65.187 13.909 -4.408 1.00 0.00 WT3 H ATOM 44884 OH2 TIP3 7170 84.640 16.035 -10.117 1.00 0.00 WT3 O ATOM 44885 H1 TIP3 7170 85.422 16.021 -10.669 1.00 0.00 WT3 H ATOM 44886 H2 TIP3 7170 84.434 15.112 -9.970 1.00 0.00 WT3 H ATOM 44887 OH2 TIP3 7172 33.433 77.444 6.173 1.00 0.00 WT3 O ATOM 44888 H1 TIP3 7172 34.183 76.923 5.887 1.00 0.00 WT3 H ATOM 44889 H2 TIP3 7172 33.471 78.236 5.638 1.00 0.00 WT3 H ATOM 44890 OH2 TIP3 7173 78.694 71.690 5.316 1.00 0.00 WT3 O ATOM 44891 H1 TIP3 7173 77.934 71.147 5.106 1.00 0.00 WT3 H ATOM 44892 H2 TIP3 7173 79.443 71.195 4.983 1.00 0.00 WT3 H ATOM 44893 OH2 TIP3 7175 48.429 14.218 62.792 1.00 0.00 WT3 O ATOM 44894 H1 TIP3 7175 47.592 13.760 62.865 1.00 0.00 WT3 H ATOM 44895 H2 TIP3 7175 48.743 14.004 61.914 1.00 0.00 WT3 H ATOM 44896 OH2 TIP3 7177 73.858 48.180 41.985 1.00 0.00 WT3 O ATOM 44897 H1 TIP3 7177 73.778 48.431 41.065 1.00 0.00 WT3 H ATOM 44898 H2 TIP3 7177 72.959 48.188 42.315 1.00 0.00 WT3 H ATOM 44899 OH2 TIP3 7178 23.080 16.283 8.583 1.00 0.00 WT3 O ATOM 44900 H1 TIP3 7178 22.472 16.282 7.843 1.00 0.00 WT3 H ATOM 44901 H2 TIP3 7178 23.589 15.479 8.475 1.00 0.00 WT3 H ATOM 44902 OH2 TIP3 7180 40.219 82.517 46.815 1.00 0.00 WT3 O ATOM 44903 H1 TIP3 7180 40.582 82.118 47.605 1.00 0.00 WT3 H ATOM 44904 H2 TIP3 7180 39.345 82.810 47.073 1.00 0.00 WT3 H ATOM 44905 OH2 TIP3 7181 69.387 40.463 64.179 1.00 0.00 WT3 O ATOM 44906 H1 TIP3 7181 68.996 41.296 64.443 1.00 0.00 WT3 H ATOM 44907 H2 TIP3 7181 68.849 40.168 63.444 1.00 0.00 WT3 H ATOM 44908 OH2 TIP3 7182 58.652 75.056 -4.661 1.00 0.00 WT3 O ATOM 44909 H1 TIP3 7182 58.862 74.525 -5.430 1.00 0.00 WT3 H ATOM 44910 H2 TIP3 7182 57.912 75.596 -4.936 1.00 0.00 WT3 H ATOM 44911 OH2 TIP3 7183 82.399 54.112 -18.798 1.00 0.00 WT3 O ATOM 44912 H1 TIP3 7183 81.659 53.515 -18.907 1.00 0.00 WT3 H ATOM 44913 H2 TIP3 7183 82.470 54.563 -19.639 1.00 0.00 WT3 H ATOM 44914 OH2 TIP3 7184 48.584 75.705 16.955 1.00 0.00 WT3 O ATOM 44915 H1 TIP3 7184 48.982 74.887 16.655 1.00 0.00 WT3 H ATOM 44916 H2 TIP3 7184 49.107 75.963 17.714 1.00 0.00 WT3 H ATOM 44917 OH2 TIP3 7186 70.919 88.768 53.962 1.00 0.00 WT3 O ATOM 44918 H1 TIP3 7186 70.122 88.342 53.648 1.00 0.00 WT3 H ATOM 44919 H2 TIP3 7186 70.888 88.665 54.914 1.00 0.00 WT3 H ATOM 44920 OH2 TIP3 7187 42.015 28.053 13.158 1.00 0.00 WT3 O ATOM 44921 H1 TIP3 7187 41.639 27.899 14.024 1.00 0.00 WT3 H ATOM 44922 H2 TIP3 7187 42.860 27.605 13.179 1.00 0.00 WT3 H ATOM 44923 OH2 TIP3 7189 25.111 86.323 -3.393 1.00 0.00 WT3 O ATOM 44924 H1 TIP3 7189 25.603 85.618 -3.813 1.00 0.00 WT3 H ATOM 44925 H2 TIP3 7189 25.308 86.231 -2.461 1.00 0.00 WT3 H ATOM 44926 OH2 TIP3 7190 31.257 20.916 -16.578 1.00 0.00 WT3 O ATOM 44927 H1 TIP3 7190 30.382 20.580 -16.771 1.00 0.00 WT3 H ATOM 44928 H2 TIP3 7190 31.156 21.868 -16.589 1.00 0.00 WT3 H ATOM 44929 OH2 TIP3 7191 21.951 7.912 4.195 1.00 0.00 WT3 O ATOM 44930 H1 TIP3 7191 22.394 7.728 3.367 1.00 0.00 WT3 H ATOM 44931 H2 TIP3 7191 21.101 7.480 4.113 1.00 0.00 WT3 H ATOM 44932 OH2 TIP3 7192 59.072 7.192 15.222 1.00 0.00 WT3 O ATOM 44933 H1 TIP3 7192 58.471 6.503 14.942 1.00 0.00 WT3 H ATOM 44934 H2 TIP3 7192 59.767 7.188 14.563 1.00 0.00 WT3 H ATOM 44935 OH2 TIP3 7193 25.194 46.178 9.728 1.00 0.00 WT3 O ATOM 44936 H1 TIP3 7193 25.162 45.867 10.633 1.00 0.00 WT3 H ATOM 44937 H2 TIP3 7193 25.967 46.742 9.696 1.00 0.00 WT3 H ATOM 44938 OH2 TIP3 7194 32.325 26.239 12.866 1.00 0.00 WT3 O ATOM 44939 H1 TIP3 7194 32.588 25.546 13.471 1.00 0.00 WT3 H ATOM 44940 H2 TIP3 7194 33.099 26.392 12.325 1.00 0.00 WT3 H ATOM 44941 OH2 TIP3 7195 32.002 74.768 7.112 1.00 0.00 WT3 O ATOM 44942 H1 TIP3 7195 32.454 73.982 7.418 1.00 0.00 WT3 H ATOM 44943 H2 TIP3 7195 32.617 75.481 7.285 1.00 0.00 WT3 H ATOM 44944 OH2 TIP3 7196 44.902 38.137 49.254 1.00 0.00 WT3 O ATOM 44945 H1 TIP3 7196 44.376 37.881 48.496 1.00 0.00 WT3 H ATOM 44946 H2 TIP3 7196 44.631 39.036 49.442 1.00 0.00 WT3 H ATOM 44947 OH2 TIP3 7197 52.189 81.668 33.778 1.00 0.00 WT3 O ATOM 44948 H1 TIP3 7197 51.556 80.951 33.812 1.00 0.00 WT3 H ATOM 44949 H2 TIP3 7197 52.695 81.580 34.586 1.00 0.00 WT3 H ATOM 44950 OH2 TIP3 7198 46.640 27.104 -14.297 1.00 0.00 WT3 O ATOM 44951 H1 TIP3 7198 46.384 26.934 -13.391 1.00 0.00 WT3 H ATOM 44952 H2 TIP3 7198 47.084 26.303 -14.576 1.00 0.00 WT3 H ATOM 44953 OH2 TIP3 7199 66.807 91.063 42.676 1.00 0.00 WT3 O ATOM 44954 H1 TIP3 7199 66.553 90.662 41.845 1.00 0.00 WT3 H ATOM 44955 H2 TIP3 7199 67.024 91.967 42.449 1.00 0.00 WT3 H ATOM 44956 OH2 TIP3 7200 27.591 21.926 1.493 1.00 0.00 WT3 O ATOM 44957 H1 TIP3 7200 27.931 22.800 1.681 1.00 0.00 WT3 H ATOM 44958 H2 TIP3 7200 27.413 21.547 2.354 1.00 0.00 WT3 H ATOM 44959 OH2 TIP3 7201 47.291 72.275 41.905 1.00 0.00 WT3 O ATOM 44960 H1 TIP3 7201 47.767 73.084 41.719 1.00 0.00 WT3 H ATOM 44961 H2 TIP3 7201 46.703 72.165 41.158 1.00 0.00 WT3 H ATOM 44962 OH2 TIP3 7202 50.950 33.386 6.870 1.00 0.00 WT3 O ATOM 44963 H1 TIP3 7202 51.202 34.271 7.133 1.00 0.00 WT3 H ATOM 44964 H2 TIP3 7202 50.518 33.020 7.642 1.00 0.00 WT3 H ATOM 44965 OH2 TIP3 7203 89.426 70.500 -19.366 1.00 0.00 WT3 O ATOM 44966 H1 TIP3 7203 90.361 70.627 -19.527 1.00 0.00 WT3 H ATOM 44967 H2 TIP3 7203 89.090 70.134 -20.184 1.00 0.00 WT3 H ATOM 44968 OH2 TIP3 7204 88.628 64.091 2.374 1.00 0.00 WT3 O ATOM 44969 H1 TIP3 7204 89.261 64.746 2.669 1.00 0.00 WT3 H ATOM 44970 H2 TIP3 7204 88.641 63.420 3.055 1.00 0.00 WT3 H ATOM 44971 OH2 TIP3 7205 86.967 88.602 42.791 1.00 0.00 WT3 O ATOM 44972 H1 TIP3 7205 87.890 88.659 43.039 1.00 0.00 WT3 H ATOM 44973 H2 TIP3 7205 86.881 87.741 42.382 1.00 0.00 WT3 H ATOM 44974 OH2 TIP3 7206 31.117 60.301 59.903 1.00 0.00 WT3 O ATOM 44975 H1 TIP3 7206 32.031 60.584 59.882 1.00 0.00 WT3 H ATOM 44976 H2 TIP3 7206 31.081 59.559 59.299 1.00 0.00 WT3 H ATOM 44977 OH2 TIP3 7208 58.694 76.634 -7.408 1.00 0.00 WT3 O ATOM 44978 H1 TIP3 7208 57.772 76.630 -7.665 1.00 0.00 WT3 H ATOM 44979 H2 TIP3 7208 58.777 77.390 -6.826 1.00 0.00 WT3 H ATOM 44980 OH2 TIP3 7209 45.211 16.522 51.049 1.00 0.00 WT3 O ATOM 44981 H1 TIP3 7209 44.485 16.640 50.436 1.00 0.00 WT3 H ATOM 44982 H2 TIP3 7209 44.975 17.059 51.805 1.00 0.00 WT3 H ATOM 44983 OH2 TIP3 7210 53.730 86.746 26.655 1.00 0.00 WT3 O ATOM 44984 H1 TIP3 7210 53.933 85.933 27.117 1.00 0.00 WT3 H ATOM 44985 H2 TIP3 7210 53.137 87.214 27.242 1.00 0.00 WT3 H ATOM 44986 OH2 TIP3 7211 42.471 58.141 58.852 1.00 0.00 WT3 O ATOM 44987 H1 TIP3 7211 42.853 57.530 59.482 1.00 0.00 WT3 H ATOM 44988 H2 TIP3 7211 42.853 58.989 59.079 1.00 0.00 WT3 H ATOM 44989 OH2 TIP3 7213 27.211 64.335 5.162 1.00 0.00 WT3 O ATOM 44990 H1 TIP3 7213 26.905 64.857 5.903 1.00 0.00 WT3 H ATOM 44991 H2 TIP3 7213 28.015 63.922 5.475 1.00 0.00 WT3 H ATOM 44992 OH2 TIP3 7215 73.516 92.317 18.890 1.00 0.00 WT3 O ATOM 44993 H1 TIP3 7215 74.026 91.861 19.559 1.00 0.00 WT3 H ATOM 44994 H2 TIP3 7215 72.862 92.814 19.382 1.00 0.00 WT3 H ATOM 44995 OH2 TIP3 7216 62.233 84.610 23.649 1.00 0.00 WT3 O ATOM 44996 H1 TIP3 7216 61.295 84.758 23.526 1.00 0.00 WT3 H ATOM 44997 H2 TIP3 7216 62.294 83.705 23.954 1.00 0.00 WT3 H ATOM 44998 OH2 TIP3 7217 55.179 73.892 -3.777 1.00 0.00 WT3 O ATOM 44999 H1 TIP3 7217 54.430 74.085 -3.213 1.00 0.00 WT3 H ATOM 45000 H2 TIP3 7217 55.900 73.727 -3.169 1.00 0.00 WT3 H ATOM 45001 OH2 TIP3 7219 33.957 71.746 6.563 1.00 0.00 WT3 O ATOM 45002 H1 TIP3 7219 33.547 71.459 7.378 1.00 0.00 WT3 H ATOM 45003 H2 TIP3 7219 34.807 71.305 6.554 1.00 0.00 WT3 H ATOM 45004 OH2 TIP3 7222 80.222 3.997 -1.207 1.00 0.00 WT3 O ATOM 45005 H1 TIP3 7222 79.445 4.469 -0.910 1.00 0.00 WT3 H ATOM 45006 H2 TIP3 7222 80.856 4.108 -0.499 1.00 0.00 WT3 H ATOM 45007 OH2 TIP3 7223 78.052 48.732 6.633 1.00 0.00 WT3 O ATOM 45008 H1 TIP3 7223 77.917 48.194 7.412 1.00 0.00 WT3 H ATOM 45009 H2 TIP3 7223 78.156 49.621 6.970 1.00 0.00 WT3 H ATOM 45010 OH2 TIP3 7224 48.544 5.218 30.796 1.00 0.00 WT3 O ATOM 45011 H1 TIP3 7224 47.972 4.619 30.316 1.00 0.00 WT3 H ATOM 45012 H2 TIP3 7224 47.986 5.584 31.483 1.00 0.00 WT3 H ATOM 45013 OH2 TIP3 7227 85.557 60.189 22.205 1.00 0.00 WT3 O ATOM 45014 H1 TIP3 7227 85.729 59.831 21.334 1.00 0.00 WT3 H ATOM 45015 H2 TIP3 7227 84.617 60.371 22.208 1.00 0.00 WT3 H ATOM 45016 OH2 TIP3 7228 75.407 43.649 -1.927 1.00 0.00 WT3 O ATOM 45017 H1 TIP3 7228 75.334 44.183 -1.135 1.00 0.00 WT3 H ATOM 45018 H2 TIP3 7228 74.793 42.928 -1.788 1.00 0.00 WT3 H ATOM 45019 OH2 TIP3 7229 39.658 84.741 -6.669 1.00 0.00 WT3 O ATOM 45020 H1 TIP3 7229 39.901 84.475 -5.783 1.00 0.00 WT3 H ATOM 45021 H2 TIP3 7229 40.270 84.272 -7.237 1.00 0.00 WT3 H ATOM 45022 OH2 TIP3 7230 39.192 18.473 51.417 1.00 0.00 WT3 O ATOM 45023 H1 TIP3 7230 39.716 17.801 51.853 1.00 0.00 WT3 H ATOM 45024 H2 TIP3 7230 39.274 18.274 50.484 1.00 0.00 WT3 H ATOM 45025 OH2 TIP3 7231 69.495 1.302 27.223 1.00 0.00 WT3 O ATOM 45026 H1 TIP3 7231 69.755 1.307 28.144 1.00 0.00 WT3 H ATOM 45027 H2 TIP3 7231 69.164 0.417 27.072 1.00 0.00 WT3 H ATOM 45028 OH2 TIP3 7232 42.938 63.083 0.883 1.00 0.00 WT3 O ATOM 45029 H1 TIP3 7232 42.473 62.250 0.959 1.00 0.00 WT3 H ATOM 45030 H2 TIP3 7232 43.646 63.021 1.524 1.00 0.00 WT3 H ATOM 45031 OH2 TIP3 7234 24.356 37.617 34.197 1.00 0.00 WT3 O ATOM 45032 H1 TIP3 7234 24.065 38.507 34.396 1.00 0.00 WT3 H ATOM 45033 H2 TIP3 7234 25.022 37.428 34.858 1.00 0.00 WT3 H ATOM 45034 OH2 TIP3 7235 21.626 76.986 0.334 1.00 0.00 WT3 O ATOM 45035 H1 TIP3 7235 21.214 76.930 1.196 1.00 0.00 WT3 H ATOM 45036 H2 TIP3 7235 21.047 76.488 -0.242 1.00 0.00 WT3 H ATOM 45037 OH2 TIP3 7238 55.609 29.418 21.934 1.00 0.00 WT3 O ATOM 45038 H1 TIP3 7238 56.131 30.210 22.068 1.00 0.00 WT3 H ATOM 45039 H2 TIP3 7238 54.992 29.412 22.665 1.00 0.00 WT3 H ATOM 45040 OH2 TIP3 7239 66.832 59.762 22.050 1.00 0.00 WT3 O ATOM 45041 H1 TIP3 7239 66.021 59.743 22.558 1.00 0.00 WT3 H ATOM 45042 H2 TIP3 7239 66.585 59.423 21.190 1.00 0.00 WT3 H ATOM 45043 OH2 TIP3 7240 42.149 60.488 10.737 1.00 0.00 WT3 O ATOM 45044 H1 TIP3 7240 42.154 61.119 11.457 1.00 0.00 WT3 H ATOM 45045 H2 TIP3 7240 42.877 59.898 10.929 1.00 0.00 WT3 H ATOM 45046 OH2 TIP3 7241 80.067 3.219 -19.616 1.00 0.00 WT3 O ATOM 45047 H1 TIP3 7241 80.171 3.831 -18.888 1.00 0.00 WT3 H ATOM 45048 H2 TIP3 7241 79.696 2.432 -19.218 1.00 0.00 WT3 H ATOM 45049 OH2 TIP3 7243 29.416 10.237 54.081 1.00 0.00 WT3 O ATOM 45050 H1 TIP3 7243 30.239 9.812 54.320 1.00 0.00 WT3 H ATOM 45051 H2 TIP3 7243 29.053 10.543 54.912 1.00 0.00 WT3 H ATOM 45052 OH2 TIP3 7244 86.532 96.100 20.975 1.00 0.00 WT3 O ATOM 45053 H1 TIP3 7244 85.713 95.613 21.062 1.00 0.00 WT3 H ATOM 45054 H2 TIP3 7244 86.261 96.984 20.729 1.00 0.00 WT3 H ATOM 45055 OH2 TIP3 7245 36.074 92.132 -19.018 1.00 0.00 WT3 O ATOM 45056 H1 TIP3 7245 35.293 92.495 -19.436 1.00 0.00 WT3 H ATOM 45057 H2 TIP3 7245 35.735 91.546 -18.342 1.00 0.00 WT3 H ATOM 45058 OH2 TIP3 7247 38.655 80.798 15.768 1.00 0.00 WT3 O ATOM 45059 H1 TIP3 7247 38.543 79.852 15.859 1.00 0.00 WT3 H ATOM 45060 H2 TIP3 7247 39.238 81.041 16.488 1.00 0.00 WT3 H ATOM 45061 OH2 TIP3 7248 37.780 74.776 52.112 1.00 0.00 WT3 O ATOM 45062 H1 TIP3 7248 38.557 74.246 52.286 1.00 0.00 WT3 H ATOM 45063 H2 TIP3 7248 38.111 75.540 51.640 1.00 0.00 WT3 H ATOM 45064 OH2 TIP3 7249 75.773 51.254 59.840 1.00 0.00 WT3 O ATOM 45065 H1 TIP3 7249 76.269 51.314 60.657 1.00 0.00 WT3 H ATOM 45066 H2 TIP3 7249 75.025 50.697 60.053 1.00 0.00 WT3 H ATOM 45067 OH2 TIP3 7250 68.157 77.660 -19.637 1.00 0.00 WT3 O ATOM 45068 H1 TIP3 7250 67.935 77.788 -18.715 1.00 0.00 WT3 H ATOM 45069 H2 TIP3 7250 68.607 78.466 -19.889 1.00 0.00 WT3 H ATOM 45070 OH2 TIP3 7252 90.257 17.954 40.022 1.00 0.00 WT3 O ATOM 45071 H1 TIP3 7252 90.391 17.008 40.085 1.00 0.00 WT3 H ATOM 45072 H2 TIP3 7252 89.351 18.086 40.301 1.00 0.00 WT3 H ATOM 45073 OH2 TIP3 7253 64.978 91.956 47.436 1.00 0.00 WT3 O ATOM 45074 H1 TIP3 7253 65.532 92.253 48.157 1.00 0.00 WT3 H ATOM 45075 H2 TIP3 7253 65.359 92.360 46.657 1.00 0.00 WT3 H ATOM 45076 OH2 TIP3 7254 86.719 32.641 27.534 1.00 0.00 WT3 O ATOM 45077 H1 TIP3 7254 86.003 33.246 27.344 1.00 0.00 WT3 H ATOM 45078 H2 TIP3 7254 86.358 32.037 28.183 1.00 0.00 WT3 H ATOM 45079 OH2 TIP3 7256 48.607 -0.147 2.828 1.00 0.00 WT3 O ATOM 45080 H1 TIP3 7256 49.216 0.582 2.714 1.00 0.00 WT3 H ATOM 45081 H2 TIP3 7256 47.918 0.012 2.183 1.00 0.00 WT3 H ATOM 45082 OH2 TIP3 7257 62.611 63.056 41.393 1.00 0.00 WT3 O ATOM 45083 H1 TIP3 7257 62.771 62.852 40.472 1.00 0.00 WT3 H ATOM 45084 H2 TIP3 7257 61.937 62.432 41.663 1.00 0.00 WT3 H ATOM 45085 OH2 TIP3 7258 62.606 79.380 56.996 1.00 0.00 WT3 O ATOM 45086 H1 TIP3 7258 62.665 78.492 56.644 1.00 0.00 WT3 H ATOM 45087 H2 TIP3 7258 61.705 79.453 57.313 1.00 0.00 WT3 H ATOM 45088 OH2 TIP3 7259 79.556 63.918 38.174 1.00 0.00 WT3 O ATOM 45089 H1 TIP3 7259 79.677 64.862 38.278 1.00 0.00 WT3 H ATOM 45090 H2 TIP3 7259 78.677 63.828 37.806 1.00 0.00 WT3 H ATOM 45091 OH2 TIP3 7260 64.199 52.473 23.103 1.00 0.00 WT3 O ATOM 45092 H1 TIP3 7260 64.013 51.742 22.514 1.00 0.00 WT3 H ATOM 45093 H2 TIP3 7260 63.339 52.748 23.423 1.00 0.00 WT3 H ATOM 45094 OH2 TIP3 7262 25.333 82.987 -8.710 1.00 0.00 WT3 O ATOM 45095 H1 TIP3 7262 25.192 82.465 -9.499 1.00 0.00 WT3 H ATOM 45096 H2 TIP3 7262 24.633 83.640 -8.726 1.00 0.00 WT3 H ATOM 45097 OH2 TIP3 7264 33.754 2.268 -7.692 1.00 0.00 WT3 O ATOM 45098 H1 TIP3 7264 32.913 2.715 -7.796 1.00 0.00 WT3 H ATOM 45099 H2 TIP3 7264 33.524 1.398 -7.365 1.00 0.00 WT3 H ATOM 45100 OH2 TIP3 7266 43.627 13.447 51.151 1.00 0.00 WT3 O ATOM 45101 H1 TIP3 7266 43.929 13.615 52.044 1.00 0.00 WT3 H ATOM 45102 H2 TIP3 7266 42.996 14.145 50.977 1.00 0.00 WT3 H ATOM 45103 OH2 TIP3 7267 66.685 90.913 1.140 1.00 0.00 WT3 O ATOM 45104 H1 TIP3 7267 67.620 90.881 1.342 1.00 0.00 WT3 H ATOM 45105 H2 TIP3 7267 66.480 90.035 0.819 1.00 0.00 WT3 H ATOM 45106 OH2 TIP3 7270 77.978 93.414 13.920 1.00 0.00 WT3 O ATOM 45107 H1 TIP3 7270 77.405 92.648 13.943 1.00 0.00 WT3 H ATOM 45108 H2 TIP3 7270 78.808 93.105 14.285 1.00 0.00 WT3 H ATOM 45109 OH2 TIP3 7275 56.699 75.245 40.504 1.00 0.00 WT3 O ATOM 45110 H1 TIP3 7275 56.666 74.320 40.262 1.00 0.00 WT3 H ATOM 45111 H2 TIP3 7275 56.043 75.663 39.947 1.00 0.00 WT3 H ATOM 45112 OH2 TIP3 7280 67.543 59.638 45.539 1.00 0.00 WT3 O ATOM 45113 H1 TIP3 7280 67.777 59.715 44.614 1.00 0.00 WT3 H ATOM 45114 H2 TIP3 7280 67.238 58.736 45.635 1.00 0.00 WT3 H ATOM 45115 OH2 TIP3 7281 72.723 71.338 37.428 1.00 0.00 WT3 O ATOM 45116 H1 TIP3 7281 71.770 71.312 37.514 1.00 0.00 WT3 H ATOM 45117 H2 TIP3 7281 72.942 72.268 37.468 1.00 0.00 WT3 H ATOM 45118 OH2 TIP3 7282 76.088 13.102 -15.809 1.00 0.00 WT3 O ATOM 45119 H1 TIP3 7282 76.381 12.191 -15.784 1.00 0.00 WT3 H ATOM 45120 H2 TIP3 7282 75.499 13.185 -15.059 1.00 0.00 WT3 H ATOM 45121 OH2 TIP3 7283 25.432 11.844 51.009 1.00 0.00 WT3 O ATOM 45122 H1 TIP3 7283 26.099 11.168 51.131 1.00 0.00 WT3 H ATOM 45123 H2 TIP3 7283 24.861 11.495 50.324 1.00 0.00 WT3 H ATOM 45124 OH2 TIP3 7284 25.644 7.493 7.422 1.00 0.00 WT3 O ATOM 45125 H1 TIP3 7284 25.650 7.155 8.318 1.00 0.00 WT3 H ATOM 45126 H2 TIP3 7284 26.345 7.014 6.980 1.00 0.00 WT3 H ATOM 45127 OH2 TIP3 7286 50.078 83.376 58.068 1.00 0.00 WT3 O ATOM 45128 H1 TIP3 7286 49.733 82.905 57.310 1.00 0.00 WT3 H ATOM 45129 H2 TIP3 7286 49.869 82.816 58.815 1.00 0.00 WT3 H ATOM 45130 OH2 TIP3 7295 59.566 30.044 8.945 1.00 0.00 WT3 O ATOM 45131 H1 TIP3 7295 58.699 30.335 9.228 1.00 0.00 WT3 H ATOM 45132 H2 TIP3 7295 59.754 29.283 9.495 1.00 0.00 WT3 H ATOM 45133 OH2 TIP3 7299 40.061 79.142 30.493 1.00 0.00 WT3 O ATOM 45134 H1 TIP3 7299 40.835 79.690 30.629 1.00 0.00 WT3 H ATOM 45135 H2 TIP3 7299 40.080 78.927 29.561 1.00 0.00 WT3 H ATOM 45136 OH2 TIP3 7301 76.011 2.768 51.260 1.00 0.00 WT3 O ATOM 45137 H1 TIP3 7301 75.881 3.065 50.359 1.00 0.00 WT3 H ATOM 45138 H2 TIP3 7301 75.156 2.430 51.526 1.00 0.00 WT3 H ATOM 45139 OH2 TIP3 7302 55.787 0.481 -3.584 1.00 0.00 WT3 O ATOM 45140 H1 TIP3 7302 56.416 1.107 -3.943 1.00 0.00 WT3 H ATOM 45141 H2 TIP3 7302 55.451 0.013 -4.348 1.00 0.00 WT3 H ATOM 45142 OH2 TIP3 7305 90.097 85.623 16.190 1.00 0.00 WT3 O ATOM 45143 H1 TIP3 7305 90.044 84.857 16.762 1.00 0.00 WT3 H ATOM 45144 H2 TIP3 7305 89.904 86.365 16.763 1.00 0.00 WT3 H ATOM 45145 OH2 TIP3 7311 78.616 68.608 52.703 1.00 0.00 WT3 O ATOM 45146 H1 TIP3 7311 78.367 69.518 52.864 1.00 0.00 WT3 H ATOM 45147 H2 TIP3 7311 79.074 68.629 51.863 1.00 0.00 WT3 H ATOM 45148 OH2 TIP3 7312 55.959 74.814 4.679 1.00 0.00 WT3 O ATOM 45149 H1 TIP3 7312 55.176 74.264 4.644 1.00 0.00 WT3 H ATOM 45150 H2 TIP3 7312 56.657 74.219 4.953 1.00 0.00 WT3 H ATOM 45151 OH2 TIP3 7322 54.363 63.932 60.636 1.00 0.00 WT3 O ATOM 45152 H1 TIP3 7322 53.455 63.632 60.624 1.00 0.00 WT3 H ATOM 45153 H2 TIP3 7322 54.516 64.269 59.753 1.00 0.00 WT3 H ATOM 45154 OH2 TIP3 7340 73.547 87.304 28.678 1.00 0.00 WT3 O ATOM 45155 H1 TIP3 7340 73.026 87.773 29.330 1.00 0.00 WT3 H ATOM 45156 H2 TIP3 7340 72.933 86.686 28.280 1.00 0.00 WT3 H ATOM 45157 OH2 TIP3 7343 77.537 2.665 32.290 1.00 0.00 WT3 O ATOM 45158 H1 TIP3 7343 76.961 3.103 31.663 1.00 0.00 WT3 H ATOM 45159 H2 TIP3 7343 77.523 1.745 32.026 1.00 0.00 WT3 H ATOM 45160 OH2 TIP3 7366 85.066 41.942 52.445 1.00 0.00 WT3 O ATOM 45161 H1 TIP3 7366 84.376 42.335 52.979 1.00 0.00 WT3 H ATOM 45162 H2 TIP3 7366 85.864 42.057 52.960 1.00 0.00 WT3 H ATOM 45163 OH2 TIP3 7408 90.309 61.621 20.286 1.00 0.00 WT3 O ATOM 45164 H1 TIP3 7408 90.258 60.688 20.075 1.00 0.00 WT3 H ATOM 45165 H2 TIP3 7408 90.913 61.981 19.636 1.00 0.00 WT3 H ATOM 45166 OH2 TIP3 7412 70.842 41.915 47.654 1.00 0.00 WT3 O ATOM 45167 H1 TIP3 7412 71.698 42.255 47.914 1.00 0.00 WT3 H ATOM 45168 H2 TIP3 7412 71.017 41.018 47.367 1.00 0.00 WT3 H ATOM 45169 OH2 TIP3 7415 48.618 88.050 44.470 1.00 0.00 WT3 O ATOM 45170 H1 TIP3 7415 48.884 87.667 43.635 1.00 0.00 WT3 H ATOM 45171 H2 TIP3 7415 48.355 88.944 44.251 1.00 0.00 WT3 H ATOM 45172 OH2 TIP3 7418 49.377 18.406 1.038 1.00 0.00 WT3 O ATOM 45173 H1 TIP3 7418 49.083 18.653 1.915 1.00 0.00 WT3 H ATOM 45174 H2 TIP3 7418 48.617 17.981 0.641 1.00 0.00 WT3 H ATOM 45175 OH2 TIP3 7431 23.649 72.116 9.422 1.00 0.00 WT3 O ATOM 45176 H1 TIP3 7431 23.648 72.926 8.912 1.00 0.00 WT3 H ATOM 45177 H2 TIP3 7431 23.761 72.403 10.328 1.00 0.00 WT3 H ATOM 45178 OH2 TIP3 7435 48.366 92.489 13.254 1.00 0.00 WT3 O ATOM 45179 H1 TIP3 7435 47.778 92.696 13.980 1.00 0.00 WT3 H ATOM 45180 H2 TIP3 7435 49.182 92.220 13.674 1.00 0.00 WT3 H ATOM 45181 OH2 TIP3 7436 43.589 55.692 32.894 1.00 0.00 WT3 O ATOM 45182 H1 TIP3 7436 43.022 55.969 33.614 1.00 0.00 WT3 H ATOM 45183 H2 TIP3 7436 44.355 55.313 33.324 1.00 0.00 WT3 H ATOM 45184 OH2 TIP3 7437 70.033 36.485 -0.193 1.00 0.00 WT3 O ATOM 45185 H1 TIP3 7437 70.550 35.762 -0.548 1.00 0.00 WT3 H ATOM 45186 H2 TIP3 7437 69.933 36.275 0.736 1.00 0.00 WT3 H ATOM 45187 OH2 TIP3 7439 81.469 2.442 3.752 1.00 0.00 WT3 O ATOM 45188 H1 TIP3 7439 80.751 1.942 3.363 1.00 0.00 WT3 H ATOM 45189 H2 TIP3 7439 81.713 1.944 4.533 1.00 0.00 WT3 H ATOM 45190 OH2 TIP3 7451 86.090 67.595 45.511 1.00 0.00 WT3 O ATOM 45191 H1 TIP3 7451 85.456 68.245 45.207 1.00 0.00 WT3 H ATOM 45192 H2 TIP3 7451 86.799 67.632 44.869 1.00 0.00 WT3 H ATOM 45193 OH2 TIP3 7456 55.262 71.993 23.592 1.00 0.00 WT3 O ATOM 45194 H1 TIP3 7456 55.632 71.192 23.221 1.00 0.00 WT3 H ATOM 45195 H2 TIP3 7456 55.632 72.698 23.060 1.00 0.00 WT3 H ATOM 45196 OH2 TIP3 7461 32.524 21.043 57.168 1.00 0.00 WT3 O ATOM 45197 H1 TIP3 7461 32.093 21.074 58.022 1.00 0.00 WT3 H ATOM 45198 H2 TIP3 7461 32.265 21.858 56.739 1.00 0.00 WT3 H ATOM 45199 OH2 TIP3 7467 41.281 96.430 38.467 1.00 0.00 WT3 O ATOM 45200 H1 TIP3 7467 41.436 95.627 38.964 1.00 0.00 WT3 H ATOM 45201 H2 TIP3 7467 42.111 96.905 38.514 1.00 0.00 WT3 H ATOM 45202 OH2 TIP3 7471 75.545 82.262 -12.583 1.00 0.00 WT3 O ATOM 45203 H1 TIP3 7471 74.862 81.617 -12.764 1.00 0.00 WT3 H ATOM 45204 H2 TIP3 7471 76.251 81.757 -12.181 1.00 0.00 WT3 H ATOM 45205 OH2 TIP3 7472 60.438 4.079 26.660 1.00 0.00 WT3 O ATOM 45206 H1 TIP3 7472 59.839 3.497 27.128 1.00 0.00 WT3 H ATOM 45207 H2 TIP3 7472 60.622 3.625 25.838 1.00 0.00 WT3 H ATOM 45208 OH2 TIP3 7473 75.246 49.836 52.450 1.00 0.00 WT3 O ATOM 45209 H1 TIP3 7473 74.513 50.447 52.375 1.00 0.00 WT3 H ATOM 45210 H2 TIP3 7473 75.777 50.185 53.166 1.00 0.00 WT3 H ATOM 45211 OH2 TIP3 7474 41.077 46.549 28.743 1.00 0.00 WT3 O ATOM 45212 H1 TIP3 7474 40.595 45.929 28.196 1.00 0.00 WT3 H ATOM 45213 H2 TIP3 7474 41.890 46.710 28.263 1.00 0.00 WT3 H ATOM 45214 OH2 TIP3 7476 20.951 53.237 49.629 1.00 0.00 WT3 O ATOM 45215 H1 TIP3 7476 21.343 53.266 48.757 1.00 0.00 WT3 H ATOM 45216 H2 TIP3 7476 21.663 53.482 50.221 1.00 0.00 WT3 H ATOM 45217 OH2 TIP3 7479 28.745 56.585 57.434 1.00 0.00 WT3 O ATOM 45218 H1 TIP3 7479 29.351 55.970 57.848 1.00 0.00 WT3 H ATOM 45219 H2 TIP3 7479 28.121 56.030 56.966 1.00 0.00 WT3 H ATOM 45220 OH2 TIP3 7480 52.434 47.442 -7.215 1.00 0.00 WT3 O ATOM 45221 H1 TIP3 7480 51.879 47.805 -7.905 1.00 0.00 WT3 H ATOM 45222 H2 TIP3 7480 53.159 48.062 -7.139 1.00 0.00 WT3 H ATOM 45223 OH2 TIP3 7483 71.698 2.264 10.039 1.00 0.00 WT3 O ATOM 45224 H1 TIP3 7483 70.891 1.751 10.071 1.00 0.00 WT3 H ATOM 45225 H2 TIP3 7483 71.407 3.158 9.860 1.00 0.00 WT3 H ATOM 45226 OH2 TIP3 7486 83.120 48.600 15.636 1.00 0.00 WT3 O ATOM 45227 H1 TIP3 7486 82.626 49.008 16.347 1.00 0.00 WT3 H ATOM 45228 H2 TIP3 7486 82.688 48.904 14.838 1.00 0.00 WT3 H ATOM 45229 OH2 TIP3 7490 52.289 36.907 42.837 1.00 0.00 WT3 O ATOM 45230 H1 TIP3 7490 51.674 36.917 42.104 1.00 0.00 WT3 H ATOM 45231 H2 TIP3 7490 51.835 37.376 43.538 1.00 0.00 WT3 H ATOM 45232 OH2 TIP3 7492 61.251 54.891 61.487 1.00 0.00 WT3 O ATOM 45233 H1 TIP3 7492 60.306 54.791 61.601 1.00 0.00 WT3 H ATOM 45234 H2 TIP3 7492 61.377 55.827 61.331 1.00 0.00 WT3 H ATOM 45235 OH2 TIP3 7493 90.559 50.154 44.766 1.00 0.00 WT3 O ATOM 45236 H1 TIP3 7493 90.736 49.666 45.570 1.00 0.00 WT3 H ATOM 45237 H2 TIP3 7493 89.896 49.635 44.311 1.00 0.00 WT3 H ATOM 45238 OH2 TIP3 7494 61.982 41.479 -3.537 1.00 0.00 WT3 O ATOM 45239 H1 TIP3 7494 61.370 41.902 -4.140 1.00 0.00 WT3 H ATOM 45240 H2 TIP3 7494 62.174 42.149 -2.882 1.00 0.00 WT3 H ATOM 45241 OH2 TIP3 7495 46.167 12.252 -0.529 1.00 0.00 WT3 O ATOM 45242 H1 TIP3 7495 45.265 12.556 -0.636 1.00 0.00 WT3 H ATOM 45243 H2 TIP3 7495 46.387 12.469 0.377 1.00 0.00 WT3 H ATOM 45244 OH2 TIP3 7497 26.537 39.359 -7.726 1.00 0.00 WT3 O ATOM 45245 H1 TIP3 7497 27.195 40.046 -7.840 1.00 0.00 WT3 H ATOM 45246 H2 TIP3 7497 26.579 39.139 -6.796 1.00 0.00 WT3 H ATOM 45247 OH2 TIP3 7498 41.119 58.337 15.117 1.00 0.00 WT3 O ATOM 45248 H1 TIP3 7498 42.036 58.463 14.873 1.00 0.00 WT3 H ATOM 45249 H2 TIP3 7498 41.051 58.712 15.995 1.00 0.00 WT3 H ATOM 45250 OH2 TIP3 7500 75.469 44.755 59.536 1.00 0.00 WT3 O ATOM 45251 H1 TIP3 7500 74.876 44.161 59.996 1.00 0.00 WT3 H ATOM 45252 H2 TIP3 7500 76.113 44.179 59.123 1.00 0.00 WT3 H ATOM 45253 OH2 TIP3 7501 28.902 60.247 -4.459 1.00 0.00 WT3 O ATOM 45254 H1 TIP3 7501 29.562 60.377 -5.139 1.00 0.00 WT3 H ATOM 45255 H2 TIP3 7501 29.407 60.100 -3.659 1.00 0.00 WT3 H ATOM 45256 OH2 TIP3 7503 63.195 83.189 44.854 1.00 0.00 WT3 O ATOM 45257 H1 TIP3 7503 63.960 82.617 44.802 1.00 0.00 WT3 H ATOM 45258 H2 TIP3 7503 63.270 83.615 45.707 1.00 0.00 WT3 H ATOM 45259 OH2 TIP3 7504 60.699 79.750 1.602 1.00 0.00 WT3 O ATOM 45260 H1 TIP3 7504 59.777 79.638 1.831 1.00 0.00 WT3 H ATOM 45261 H2 TIP3 7504 61.170 79.190 2.219 1.00 0.00 WT3 H ATOM 45262 OH2 TIP3 7505 58.331 69.857 -5.611 1.00 0.00 WT3 O ATOM 45263 H1 TIP3 7505 57.975 70.353 -4.875 1.00 0.00 WT3 H ATOM 45264 H2 TIP3 7505 57.876 69.016 -5.577 1.00 0.00 WT3 H ATOM 45265 OH2 TIP3 7507 41.082 94.217 52.126 1.00 0.00 WT3 O ATOM 45266 H1 TIP3 7507 41.139 93.593 52.850 1.00 0.00 WT3 H ATOM 45267 H2 TIP3 7507 41.313 93.707 51.350 1.00 0.00 WT3 H ATOM 45268 OH2 TIP3 7508 74.403 96.218 -9.845 1.00 0.00 WT3 O ATOM 45269 H1 TIP3 7508 73.563 95.758 -9.849 1.00 0.00 WT3 H ATOM 45270 H2 TIP3 7508 75.054 95.526 -9.725 1.00 0.00 WT3 H ATOM 45271 OH2 TIP3 7509 53.960 53.929 49.460 1.00 0.00 WT3 O ATOM 45272 H1 TIP3 7509 54.840 54.135 49.143 1.00 0.00 WT3 H ATOM 45273 H2 TIP3 7509 53.781 54.597 50.121 1.00 0.00 WT3 H ATOM 45274 OH2 TIP3 7510 80.183 32.523 -7.291 1.00 0.00 WT3 O ATOM 45275 H1 TIP3 7510 79.955 31.677 -7.677 1.00 0.00 WT3 H ATOM 45276 H2 TIP3 7510 80.796 32.308 -6.588 1.00 0.00 WT3 H ATOM 45277 OH2 TIP3 7511 51.168 50.797 -10.488 1.00 0.00 WT3 O ATOM 45278 H1 TIP3 7511 51.461 51.510 -11.055 1.00 0.00 WT3 H ATOM 45279 H2 TIP3 7511 50.614 51.223 -9.834 1.00 0.00 WT3 H ATOM 45280 OH2 TIP3 7513 86.121 66.212 10.102 1.00 0.00 WT3 O ATOM 45281 H1 TIP3 7513 86.303 65.515 9.472 1.00 0.00 WT3 H ATOM 45282 H2 TIP3 7513 85.507 65.821 10.723 1.00 0.00 WT3 H ATOM 45283 OH2 TIP3 7516 81.465 92.282 3.488 1.00 0.00 WT3 O ATOM 45284 H1 TIP3 7516 82.119 92.395 4.177 1.00 0.00 WT3 H ATOM 45285 H2 TIP3 7516 81.928 92.498 2.679 1.00 0.00 WT3 H ATOM 45286 OH2 TIP3 7519 22.311 50.934 6.963 1.00 0.00 WT3 O ATOM 45287 H1 TIP3 7519 22.747 51.764 6.768 1.00 0.00 WT3 H ATOM 45288 H2 TIP3 7519 22.995 50.391 7.356 1.00 0.00 WT3 H ATOM 45289 OH2 TIP3 7520 74.078 49.783 36.472 1.00 0.00 WT3 O ATOM 45290 H1 TIP3 7520 74.541 50.234 35.766 1.00 0.00 WT3 H ATOM 45291 H2 TIP3 7520 73.675 50.486 36.982 1.00 0.00 WT3 H ATOM 45292 OH2 TIP3 7522 85.377 50.432 26.113 1.00 0.00 WT3 O ATOM 45293 H1 TIP3 7522 85.610 50.037 25.273 1.00 0.00 WT3 H ATOM 45294 H2 TIP3 7522 84.439 50.608 26.044 1.00 0.00 WT3 H ATOM 45295 OH2 TIP3 7523 51.768 23.903 31.575 1.00 0.00 WT3 O ATOM 45296 H1 TIP3 7523 50.927 24.350 31.480 1.00 0.00 WT3 H ATOM 45297 H2 TIP3 7523 51.591 23.000 31.312 1.00 0.00 WT3 H ATOM 45298 OH2 TIP3 7524 47.086 87.359 -14.787 1.00 0.00 WT3 O ATOM 45299 H1 TIP3 7524 47.203 88.193 -14.333 1.00 0.00 WT3 H ATOM 45300 H2 TIP3 7524 46.243 87.030 -14.473 1.00 0.00 WT3 H ATOM 45301 OH2 TIP3 7525 61.314 58.928 22.492 1.00 0.00 WT3 O ATOM 45302 H1 TIP3 7525 60.820 59.702 22.763 1.00 0.00 WT3 H ATOM 45303 H2 TIP3 7525 60.752 58.190 22.725 1.00 0.00 WT3 H ATOM 45304 OH2 TIP3 7526 22.754 52.129 21.043 1.00 0.00 WT3 O ATOM 45305 H1 TIP3 7526 22.830 51.453 21.716 1.00 0.00 WT3 H ATOM 45306 H2 TIP3 7526 23.610 52.556 21.032 1.00 0.00 WT3 H ATOM 45307 OH2 TIP3 7527 88.469 66.210 6.663 1.00 0.00 WT3 O ATOM 45308 H1 TIP3 7527 87.841 66.918 6.803 1.00 0.00 WT3 H ATOM 45309 H2 TIP3 7527 87.932 65.421 6.600 1.00 0.00 WT3 H ATOM 45310 OH2 TIP3 7528 20.967 41.462 48.569 1.00 0.00 WT3 O ATOM 45311 H1 TIP3 7528 21.369 40.741 49.055 1.00 0.00 WT3 H ATOM 45312 H2 TIP3 7528 20.069 41.500 48.897 1.00 0.00 WT3 H ATOM 45313 OH2 TIP3 7529 56.555 72.620 27.968 1.00 0.00 WT3 O ATOM 45314 H1 TIP3 7529 56.446 71.969 27.275 1.00 0.00 WT3 H ATOM 45315 H2 TIP3 7529 55.861 72.420 28.597 1.00 0.00 WT3 H ATOM 45316 OH2 TIP3 7530 51.729 68.312 32.078 1.00 0.00 WT3 O ATOM 45317 H1 TIP3 7530 52.539 68.755 32.329 1.00 0.00 WT3 H ATOM 45318 H2 TIP3 7530 52.000 67.668 31.424 1.00 0.00 WT3 H ATOM 45319 OH2 TIP3 7531 86.061 36.460 28.901 1.00 0.00 WT3 O ATOM 45320 H1 TIP3 7531 85.635 36.756 28.097 1.00 0.00 WT3 H ATOM 45321 H2 TIP3 7531 86.956 36.250 28.635 1.00 0.00 WT3 H ATOM 45322 OH2 TIP3 7532 72.390 84.177 47.706 1.00 0.00 WT3 O ATOM 45323 H1 TIP3 7532 71.517 83.972 47.371 1.00 0.00 WT3 H ATOM 45324 H2 TIP3 7532 72.937 84.249 46.924 1.00 0.00 WT3 H ATOM 45325 OH2 TIP3 7537 23.921 73.335 11.825 1.00 0.00 WT3 O ATOM 45326 H1 TIP3 7537 24.002 74.217 12.187 1.00 0.00 WT3 H ATOM 45327 H2 TIP3 7537 23.462 72.838 12.503 1.00 0.00 WT3 H ATOM 45328 OH2 TIP3 7538 21.096 77.660 6.613 1.00 0.00 WT3 O ATOM 45329 H1 TIP3 7538 21.972 77.491 6.960 1.00 0.00 WT3 H ATOM 45330 H2 TIP3 7538 20.510 77.489 7.350 1.00 0.00 WT3 H ATOM 45331 OH2 TIP3 7539 77.941 90.914 -9.200 1.00 0.00 WT3 O ATOM 45332 H1 TIP3 7539 77.553 90.740 -10.058 1.00 0.00 WT3 H ATOM 45333 H2 TIP3 7539 77.250 91.360 -8.710 1.00 0.00 WT3 H ATOM 45334 OH2 TIP3 7540 78.077 30.213 23.316 1.00 0.00 WT3 O ATOM 45335 H1 TIP3 7540 78.543 30.976 22.973 1.00 0.00 WT3 H ATOM 45336 H2 TIP3 7540 78.152 30.294 24.267 1.00 0.00 WT3 H ATOM 45337 OH2 TIP3 7541 28.911 5.170 50.490 1.00 0.00 WT3 O ATOM 45338 H1 TIP3 7541 28.738 5.982 50.967 1.00 0.00 WT3 H ATOM 45339 H2 TIP3 7541 28.066 4.721 50.466 1.00 0.00 WT3 H ATOM 45340 OH2 TIP3 7542 82.594 63.806 21.134 1.00 0.00 WT3 O ATOM 45341 H1 TIP3 7542 82.687 64.421 20.406 1.00 0.00 WT3 H ATOM 45342 H2 TIP3 7542 81.660 63.597 21.154 1.00 0.00 WT3 H ATOM 45343 OH2 TIP3 7544 82.760 74.238 35.869 1.00 0.00 WT3 O ATOM 45344 H1 TIP3 7544 82.622 73.334 36.153 1.00 0.00 WT3 H ATOM 45345 H2 TIP3 7544 81.877 74.591 35.755 1.00 0.00 WT3 H ATOM 45346 OH2 TIP3 7545 35.784 60.549 19.054 1.00 0.00 WT3 O ATOM 45347 H1 TIP3 7545 35.700 61.309 18.479 1.00 0.00 WT3 H ATOM 45348 H2 TIP3 7545 36.726 60.383 19.096 1.00 0.00 WT3 H ATOM 45349 OH2 TIP3 7547 69.079 33.865 64.592 1.00 0.00 WT3 O ATOM 45350 H1 TIP3 7547 68.558 34.310 63.924 1.00 0.00 WT3 H ATOM 45351 H2 TIP3 7547 68.680 34.127 65.422 1.00 0.00 WT3 H ATOM 45352 OH2 TIP3 7550 30.798 90.435 0.698 1.00 0.00 WT3 O ATOM 45353 H1 TIP3 7550 30.055 89.866 0.899 1.00 0.00 WT3 H ATOM 45354 H2 TIP3 7550 30.402 91.234 0.351 1.00 0.00 WT3 H ATOM 45355 OH2 TIP3 7551 31.294 20.368 20.861 1.00 0.00 WT3 O ATOM 45356 H1 TIP3 7551 32.175 20.000 20.935 1.00 0.00 WT3 H ATOM 45357 H2 TIP3 7551 31.432 21.259 20.538 1.00 0.00 WT3 H ATOM 45358 OH2 TIP3 7552 64.486 71.647 -7.574 1.00 0.00 WT3 O ATOM 45359 H1 TIP3 7552 64.036 71.295 -8.342 1.00 0.00 WT3 H ATOM 45360 H2 TIP3 7552 65.401 71.393 -7.695 1.00 0.00 WT3 H ATOM 45361 OH2 TIP3 7553 36.426 80.685 34.190 1.00 0.00 WT3 O ATOM 45362 H1 TIP3 7553 36.387 79.740 34.039 1.00 0.00 WT3 H ATOM 45363 H2 TIP3 7553 37.223 80.967 33.742 1.00 0.00 WT3 H ATOM 45364 OH2 TIP3 7554 44.794 73.303 46.287 1.00 0.00 WT3 O ATOM 45365 H1 TIP3 7554 44.320 72.496 46.086 1.00 0.00 WT3 H ATOM 45366 H2 TIP3 7554 45.718 73.056 46.243 1.00 0.00 WT3 H ATOM 45367 OH2 TIP3 7555 63.446 56.123 -3.824 1.00 0.00 WT3 O ATOM 45368 H1 TIP3 7555 63.124 57.020 -3.733 1.00 0.00 WT3 H ATOM 45369 H2 TIP3 7555 63.612 55.834 -2.927 1.00 0.00 WT3 H ATOM 45370 OH2 TIP3 7556 61.554 53.657 23.248 1.00 0.00 WT3 O ATOM 45371 H1 TIP3 7556 60.827 53.140 23.596 1.00 0.00 WT3 H ATOM 45372 H2 TIP3 7556 61.342 53.776 22.323 1.00 0.00 WT3 H ATOM 45373 OH2 TIP3 7557 58.003 18.717 26.046 1.00 0.00 WT3 O ATOM 45374 H1 TIP3 7557 57.083 18.905 26.232 1.00 0.00 WT3 H ATOM 45375 H2 TIP3 7557 58.446 18.830 26.887 1.00 0.00 WT3 H ATOM 45376 OH2 TIP3 7558 33.511 75.268 43.124 1.00 0.00 WT3 O ATOM 45377 H1 TIP3 7558 33.460 74.402 42.719 1.00 0.00 WT3 H ATOM 45378 H2 TIP3 7558 34.224 75.708 42.660 1.00 0.00 WT3 H ATOM 45379 OH2 TIP3 7559 26.119 19.153 6.920 1.00 0.00 WT3 O ATOM 45380 H1 TIP3 7559 27.017 18.848 7.054 1.00 0.00 WT3 H ATOM 45381 H2 TIP3 7559 25.921 18.925 6.012 1.00 0.00 WT3 H ATOM 45382 OH2 TIP3 7560 88.891 78.071 0.584 1.00 0.00 WT3 O ATOM 45383 H1 TIP3 7560 88.783 78.377 1.484 1.00 0.00 WT3 H ATOM 45384 H2 TIP3 7560 89.828 78.163 0.410 1.00 0.00 WT3 H ATOM 45385 OH2 TIP3 7561 37.559 77.538 -16.885 1.00 0.00 WT3 O ATOM 45386 H1 TIP3 7561 37.995 78.061 -16.212 1.00 0.00 WT3 H ATOM 45387 H2 TIP3 7561 38.245 77.353 -17.526 1.00 0.00 WT3 H ATOM 45388 OH2 TIP3 7562 69.732 65.932 63.671 1.00 0.00 WT3 O ATOM 45389 H1 TIP3 7562 70.129 65.679 62.837 1.00 0.00 WT3 H ATOM 45390 H2 TIP3 7562 70.456 66.295 64.181 1.00 0.00 WT3 H ATOM 45391 OH2 TIP3 7563 78.445 60.255 18.424 1.00 0.00 WT3 O ATOM 45392 H1 TIP3 7563 77.937 61.004 18.115 1.00 0.00 WT3 H ATOM 45393 H2 TIP3 7563 77.992 59.969 19.218 1.00 0.00 WT3 H ATOM 45394 OH2 TIP3 7564 75.363 7.662 65.942 1.00 0.00 WT3 O ATOM 45395 H1 TIP3 7564 74.441 7.707 66.194 1.00 0.00 WT3 H ATOM 45396 H2 TIP3 7564 75.433 8.242 65.184 1.00 0.00 WT3 H ATOM 45397 OH2 TIP3 7567 69.916 60.093 35.499 1.00 0.00 WT3 O ATOM 45398 H1 TIP3 7567 69.496 60.347 34.677 1.00 0.00 WT3 H ATOM 45399 H2 TIP3 7567 70.558 60.784 35.663 1.00 0.00 WT3 H ATOM 45400 OH2 TIP3 7568 29.011 46.951 -6.963 1.00 0.00 WT3 O ATOM 45401 H1 TIP3 7568 28.191 46.480 -6.810 1.00 0.00 WT3 H ATOM 45402 H2 TIP3 7568 28.738 47.811 -7.280 1.00 0.00 WT3 H ATOM 45403 OH2 TIP3 7570 27.729 24.983 35.625 1.00 0.00 WT3 O ATOM 45404 H1 TIP3 7570 28.607 25.319 35.803 1.00 0.00 WT3 H ATOM 45405 H2 TIP3 7570 27.559 25.223 34.714 1.00 0.00 WT3 H ATOM 45406 OH2 TIP3 7571 88.913 41.516 50.845 1.00 0.00 WT3 O ATOM 45407 H1 TIP3 7571 88.593 40.788 50.313 1.00 0.00 WT3 H ATOM 45408 H2 TIP3 7571 89.259 41.102 51.635 1.00 0.00 WT3 H ATOM 45409 OH2 TIP3 7572 54.781 16.972 60.193 1.00 0.00 WT3 O ATOM 45410 H1 TIP3 7572 54.804 17.834 59.779 1.00 0.00 WT3 H ATOM 45411 H2 TIP3 7572 55.074 16.369 59.509 1.00 0.00 WT3 H ATOM 45412 OH2 TIP3 7574 78.489 1.915 -6.701 1.00 0.00 WT3 O ATOM 45413 H1 TIP3 7574 79.360 1.563 -6.515 1.00 0.00 WT3 H ATOM 45414 H2 TIP3 7574 78.368 2.609 -6.053 1.00 0.00 WT3 H ATOM 45415 OH2 TIP3 7575 44.216 80.433 -14.531 1.00 0.00 WT3 O ATOM 45416 H1 TIP3 7575 43.789 79.976 -13.807 1.00 0.00 WT3 H ATOM 45417 H2 TIP3 7575 43.498 80.685 -15.112 1.00 0.00 WT3 H ATOM 45418 OH2 TIP3 7576 41.219 92.886 2.779 1.00 0.00 WT3 O ATOM 45419 H1 TIP3 7576 41.699 92.749 3.596 1.00 0.00 WT3 H ATOM 45420 H2 TIP3 7576 40.298 92.872 3.037 1.00 0.00 WT3 H ATOM 45421 OH2 TIP3 7578 46.367 68.298 65.272 1.00 0.00 WT3 O ATOM 45422 H1 TIP3 7578 47.037 68.898 64.943 1.00 0.00 WT3 H ATOM 45423 H2 TIP3 7578 45.911 67.994 64.487 1.00 0.00 WT3 H ATOM 45424 OH2 TIP3 7579 38.115 69.783 32.076 1.00 0.00 WT3 O ATOM 45425 H1 TIP3 7579 38.565 69.479 32.864 1.00 0.00 WT3 H ATOM 45426 H2 TIP3 7579 38.655 69.463 31.353 1.00 0.00 WT3 H ATOM 45427 OH2 TIP3 7580 68.588 62.114 1.126 1.00 0.00 WT3 O ATOM 45428 H1 TIP3 7580 69.463 61.808 1.365 1.00 0.00 WT3 H ATOM 45429 H2 TIP3 7580 68.655 63.069 1.144 1.00 0.00 WT3 H ATOM 45430 OH2 TIP3 7581 59.415 2.292 39.774 1.00 0.00 WT3 O ATOM 45431 H1 TIP3 7581 59.519 2.697 38.913 1.00 0.00 WT3 H ATOM 45432 H2 TIP3 7581 59.855 2.893 40.376 1.00 0.00 WT3 H ATOM 45433 OH2 TIP3 7582 51.652 8.445 28.150 1.00 0.00 WT3 O ATOM 45434 H1 TIP3 7582 51.211 9.219 27.801 1.00 0.00 WT3 H ATOM 45435 H2 TIP3 7582 52.579 8.592 27.965 1.00 0.00 WT3 H ATOM 45436 OH2 TIP3 7584 83.335 40.598 41.437 1.00 0.00 WT3 O ATOM 45437 H1 TIP3 7584 83.495 41.542 41.417 1.00 0.00 WT3 H ATOM 45438 H2 TIP3 7584 83.490 40.348 42.348 1.00 0.00 WT3 H ATOM 45439 OH2 TIP3 7585 26.312 9.549 57.428 1.00 0.00 WT3 O ATOM 45440 H1 TIP3 7585 26.602 10.104 56.705 1.00 0.00 WT3 H ATOM 45441 H2 TIP3 7585 26.193 10.153 58.162 1.00 0.00 WT3 H ATOM 45442 OH2 TIP3 7586 26.258 7.016 -11.992 1.00 0.00 WT3 O ATOM 45443 H1 TIP3 7586 27.085 7.467 -11.821 1.00 0.00 WT3 H ATOM 45444 H2 TIP3 7586 26.361 6.160 -11.576 1.00 0.00 WT3 H ATOM 45445 OH2 TIP3 7587 21.429 18.476 52.165 1.00 0.00 WT3 O ATOM 45446 H1 TIP3 7587 20.980 18.749 51.365 1.00 0.00 WT3 H ATOM 45447 H2 TIP3 7587 22.127 19.122 52.281 1.00 0.00 WT3 H ATOM 45448 OH2 TIP3 7588 74.971 72.603 36.051 1.00 0.00 WT3 O ATOM 45449 H1 TIP3 7588 75.279 73.412 35.641 1.00 0.00 WT3 H ATOM 45450 H2 TIP3 7588 74.117 72.442 35.650 1.00 0.00 WT3 H ATOM 45451 OH2 TIP3 7589 22.310 88.439 -5.922 1.00 0.00 WT3 O ATOM 45452 H1 TIP3 7589 22.789 89.192 -6.269 1.00 0.00 WT3 H ATOM 45453 H2 TIP3 7589 22.111 88.678 -5.017 1.00 0.00 WT3 H ATOM 45454 OH2 TIP3 7590 67.314 68.220 -2.291 1.00 0.00 WT3 O ATOM 45455 H1 TIP3 7590 66.835 67.409 -2.464 1.00 0.00 WT3 H ATOM 45456 H2 TIP3 7590 66.895 68.871 -2.854 1.00 0.00 WT3 H ATOM 45457 OH2 TIP3 7591 69.133 80.337 14.092 1.00 0.00 WT3 O ATOM 45458 H1 TIP3 7591 69.161 80.955 13.362 1.00 0.00 WT3 H ATOM 45459 H2 TIP3 7591 69.010 79.482 13.679 1.00 0.00 WT3 H ATOM 45460 OH2 TIP3 7592 47.464 17.830 30.810 1.00 0.00 WT3 O ATOM 45461 H1 TIP3 7592 47.104 17.761 29.925 1.00 0.00 WT3 H ATOM 45462 H2 TIP3 7592 48.412 17.780 30.688 1.00 0.00 WT3 H ATOM 45463 OH2 TIP3 7593 33.721 3.262 25.462 1.00 0.00 WT3 O ATOM 45464 H1 TIP3 7593 33.736 3.118 24.516 1.00 0.00 WT3 H ATOM 45465 H2 TIP3 7593 34.552 3.696 25.652 1.00 0.00 WT3 H ATOM 45466 OH2 TIP3 7594 89.057 75.097 47.930 1.00 0.00 WT3 O ATOM 45467 H1 TIP3 7594 88.421 75.329 47.253 1.00 0.00 WT3 H ATOM 45468 H2 TIP3 7594 89.128 74.144 47.875 1.00 0.00 WT3 H ATOM 45469 OH2 TIP3 7595 33.317 82.806 29.482 1.00 0.00 WT3 O ATOM 45470 H1 TIP3 7595 33.455 82.117 28.831 1.00 0.00 WT3 H ATOM 45471 H2 TIP3 7595 32.431 82.652 29.809 1.00 0.00 WT3 H ATOM 45472 OH2 TIP3 7596 59.976 79.412 -15.476 1.00 0.00 WT3 O ATOM 45473 H1 TIP3 7596 59.945 78.587 -15.961 1.00 0.00 WT3 H ATOM 45474 H2 TIP3 7596 60.720 79.313 -14.882 1.00 0.00 WT3 H ATOM 45475 OH2 TIP3 7597 60.712 16.695 11.029 1.00 0.00 WT3 O ATOM 45476 H1 TIP3 7597 60.886 16.535 10.101 1.00 0.00 WT3 H ATOM 45477 H2 TIP3 7597 60.074 16.024 11.272 1.00 0.00 WT3 H ATOM 45478 OH2 TIP3 7598 82.339 4.941 32.147 1.00 0.00 WT3 O ATOM 45479 H1 TIP3 7598 81.849 4.799 31.337 1.00 0.00 WT3 H ATOM 45480 H2 TIP3 7598 81.972 4.307 32.764 1.00 0.00 WT3 H ATOM 45481 OH2 TIP3 7599 33.592 34.295 16.258 1.00 0.00 WT3 O ATOM 45482 H1 TIP3 7599 34.470 34.116 16.595 1.00 0.00 WT3 H ATOM 45483 H2 TIP3 7599 33.270 35.018 16.798 1.00 0.00 WT3 H ATOM 45484 OH2 TIP3 7600 31.034 27.014 -14.784 1.00 0.00 WT3 O ATOM 45485 H1 TIP3 7600 30.571 26.405 -15.360 1.00 0.00 WT3 H ATOM 45486 H2 TIP3 7600 31.678 26.471 -14.330 1.00 0.00 WT3 H ATOM 45487 OH2 TIP3 7602 80.949 95.869 56.709 1.00 0.00 WT3 O ATOM 45488 H1 TIP3 7602 81.143 95.374 55.914 1.00 0.00 WT3 H ATOM 45489 H2 TIP3 7602 81.469 95.443 57.390 1.00 0.00 WT3 H ATOM 45490 OH2 TIP3 7604 69.302 3.211 -13.547 1.00 0.00 WT3 O ATOM 45491 H1 TIP3 7604 69.872 3.782 -13.031 1.00 0.00 WT3 H ATOM 45492 H2 TIP3 7604 68.442 3.630 -13.506 1.00 0.00 WT3 H ATOM 45493 OH2 TIP3 7605 82.189 14.847 -5.713 1.00 0.00 WT3 O ATOM 45494 H1 TIP3 7605 82.159 15.444 -4.966 1.00 0.00 WT3 H ATOM 45495 H2 TIP3 7605 82.933 15.150 -6.234 1.00 0.00 WT3 H ATOM 45496 OH2 TIP3 7606 84.168 42.689 32.985 1.00 0.00 WT3 O ATOM 45497 H1 TIP3 7606 84.099 41.742 33.108 1.00 0.00 WT3 H ATOM 45498 H2 TIP3 7606 84.501 42.792 32.094 1.00 0.00 WT3 H ATOM 45499 OH2 TIP3 7608 59.435 29.818 6.272 1.00 0.00 WT3 O ATOM 45500 H1 TIP3 7608 59.669 29.780 7.200 1.00 0.00 WT3 H ATOM 45501 H2 TIP3 7608 59.402 30.753 6.072 1.00 0.00 WT3 H ATOM 45502 OH2 TIP3 7609 42.331 13.754 15.012 1.00 0.00 WT3 O ATOM 45503 H1 TIP3 7609 42.298 14.588 15.481 1.00 0.00 WT3 H ATOM 45504 H2 TIP3 7609 43.161 13.779 14.536 1.00 0.00 WT3 H ATOM 45505 OH2 TIP3 7610 26.588 89.243 18.654 1.00 0.00 WT3 O ATOM 45506 H1 TIP3 7610 26.602 89.567 19.555 1.00 0.00 WT3 H ATOM 45507 H2 TIP3 7610 27.504 89.046 18.456 1.00 0.00 WT3 H ATOM 45508 OH2 TIP3 7611 43.377 14.021 1.385 1.00 0.00 WT3 O ATOM 45509 H1 TIP3 7611 43.255 13.739 0.478 1.00 0.00 WT3 H ATOM 45510 H2 TIP3 7611 43.018 14.908 1.411 1.00 0.00 WT3 H ATOM 45511 OH2 TIP3 7612 66.102 82.387 38.682 1.00 0.00 WT3 O ATOM 45512 H1 TIP3 7612 66.295 82.710 39.563 1.00 0.00 WT3 H ATOM 45513 H2 TIP3 7612 65.946 81.450 38.800 1.00 0.00 WT3 H ATOM 45514 OH2 TIP3 7613 32.094 17.248 28.944 1.00 0.00 WT3 O ATOM 45515 H1 TIP3 7613 32.689 17.150 29.687 1.00 0.00 WT3 H ATOM 45516 H2 TIP3 7613 31.284 17.584 29.327 1.00 0.00 WT3 H ATOM 45517 OH2 TIP3 7614 24.593 37.837 38.208 1.00 0.00 WT3 O ATOM 45518 H1 TIP3 7614 25.006 38.701 38.186 1.00 0.00 WT3 H ATOM 45519 H2 TIP3 7614 23.789 37.943 37.701 1.00 0.00 WT3 H ATOM 45520 OH2 TIP3 7615 71.857 51.395 -11.531 1.00 0.00 WT3 O ATOM 45521 H1 TIP3 7615 71.166 51.034 -12.085 1.00 0.00 WT3 H ATOM 45522 H2 TIP3 7615 71.668 51.054 -10.657 1.00 0.00 WT3 H ATOM 45523 OH2 TIP3 7616 30.090 77.258 14.072 1.00 0.00 WT3 O ATOM 45524 H1 TIP3 7616 30.211 76.480 14.616 1.00 0.00 WT3 H ATOM 45525 H2 TIP3 7616 29.470 76.984 13.396 1.00 0.00 WT3 H ATOM 45526 OH2 TIP3 7617 71.122 57.011 54.284 1.00 0.00 WT3 O ATOM 45527 H1 TIP3 7617 70.424 57.445 53.795 1.00 0.00 WT3 H ATOM 45528 H2 TIP3 7617 70.674 56.580 55.012 1.00 0.00 WT3 H ATOM 45529 OH2 TIP3 7618 54.341 14.825 43.353 1.00 0.00 WT3 O ATOM 45530 H1 TIP3 7618 53.721 14.838 42.623 1.00 0.00 WT3 H ATOM 45531 H2 TIP3 7618 54.076 14.071 43.879 1.00 0.00 WT3 H ATOM 45532 OH2 TIP3 7619 88.469 39.839 13.701 1.00 0.00 WT3 O ATOM 45533 H1 TIP3 7619 88.333 38.941 13.400 1.00 0.00 WT3 H ATOM 45534 H2 TIP3 7619 89.288 40.109 13.286 1.00 0.00 WT3 H ATOM 45535 OH2 TIP3 7620 79.170 2.202 -3.257 1.00 0.00 WT3 O ATOM 45536 H1 TIP3 7620 79.658 2.949 -2.913 1.00 0.00 WT3 H ATOM 45537 H2 TIP3 7620 78.251 2.426 -3.110 1.00 0.00 WT3 H ATOM 45538 OH2 TIP3 7621 62.625 86.149 26.039 1.00 0.00 WT3 O ATOM 45539 H1 TIP3 7621 62.447 85.695 26.862 1.00 0.00 WT3 H ATOM 45540 H2 TIP3 7621 62.737 85.448 25.397 1.00 0.00 WT3 H ATOM 45541 OH2 TIP3 7623 44.354 11.522 42.645 1.00 0.00 WT3 O ATOM 45542 H1 TIP3 7623 43.604 10.944 42.508 1.00 0.00 WT3 H ATOM 45543 H2 TIP3 7623 45.103 11.026 42.314 1.00 0.00 WT3 H ATOM 45544 OH2 TIP3 7624 60.710 89.765 56.491 1.00 0.00 WT3 O ATOM 45545 H1 TIP3 7624 59.918 89.925 55.978 1.00 0.00 WT3 H ATOM 45546 H2 TIP3 7624 60.591 88.886 56.850 1.00 0.00 WT3 H ATOM 45547 OH2 TIP3 7625 87.370 21.218 -14.892 1.00 0.00 WT3 O ATOM 45548 H1 TIP3 7625 88.184 21.041 -15.364 1.00 0.00 WT3 H ATOM 45549 H2 TIP3 7625 87.470 20.754 -14.060 1.00 0.00 WT3 H ATOM 45550 OH2 TIP3 7626 81.858 84.608 23.912 1.00 0.00 WT3 O ATOM 45551 H1 TIP3 7626 82.267 83.771 24.135 1.00 0.00 WT3 H ATOM 45552 H2 TIP3 7626 82.322 84.901 23.128 1.00 0.00 WT3 H ATOM 45553 OH2 TIP3 7627 85.511 81.423 17.724 1.00 0.00 WT3 O ATOM 45554 H1 TIP3 7627 86.114 80.867 18.218 1.00 0.00 WT3 H ATOM 45555 H2 TIP3 7627 84.648 81.222 18.087 1.00 0.00 WT3 H ATOM 45556 OH2 TIP3 7628 33.390 81.467 42.730 1.00 0.00 WT3 O ATOM 45557 H1 TIP3 7628 34.094 80.853 42.522 1.00 0.00 WT3 H ATOM 45558 H2 TIP3 7628 33.812 82.326 42.727 1.00 0.00 WT3 H ATOM 45559 OH2 TIP3 7629 89.379 76.332 30.828 1.00 0.00 WT3 O ATOM 45560 H1 TIP3 7629 89.602 75.548 30.328 1.00 0.00 WT3 H ATOM 45561 H2 TIP3 7629 88.479 76.533 30.570 1.00 0.00 WT3 H ATOM 45562 OH2 TIP3 7630 28.368 73.371 -5.914 1.00 0.00 WT3 O ATOM 45563 H1 TIP3 7630 27.877 72.653 -5.515 1.00 0.00 WT3 H ATOM 45564 H2 TIP3 7630 29.144 72.953 -6.287 1.00 0.00 WT3 H ATOM 45565 OH2 TIP3 7631 43.023 52.972 17.176 1.00 0.00 WT3 O ATOM 45566 H1 TIP3 7631 42.794 53.629 17.833 1.00 0.00 WT3 H ATOM 45567 H2 TIP3 7631 43.904 53.215 16.891 1.00 0.00 WT3 H ATOM 45568 OH2 TIP3 7632 74.306 31.735 63.370 1.00 0.00 WT3 O ATOM 45569 H1 TIP3 7632 73.651 32.199 62.848 1.00 0.00 WT3 H ATOM 45570 H2 TIP3 7632 74.862 32.426 63.728 1.00 0.00 WT3 H ATOM 45571 OH2 TIP3 7633 74.978 61.343 10.875 1.00 0.00 WT3 O ATOM 45572 H1 TIP3 7633 74.207 61.561 11.397 1.00 0.00 WT3 H ATOM 45573 H2 TIP3 7633 74.667 60.688 10.249 1.00 0.00 WT3 H ATOM 45574 OH2 TIP3 7634 89.406 58.961 16.641 1.00 0.00 WT3 O ATOM 45575 H1 TIP3 7634 89.524 58.018 16.525 1.00 0.00 WT3 H ATOM 45576 H2 TIP3 7634 89.183 59.062 17.566 1.00 0.00 WT3 H ATOM 45577 OH2 TIP3 7635 52.984 72.652 4.920 1.00 0.00 WT3 O ATOM 45578 H1 TIP3 7635 52.797 72.975 5.802 1.00 0.00 WT3 H ATOM 45579 H2 TIP3 7635 53.088 71.707 5.029 1.00 0.00 WT3 H ATOM 45580 OH2 TIP3 7636 80.400 70.223 36.183 1.00 0.00 WT3 O ATOM 45581 H1 TIP3 7636 80.470 69.885 35.289 1.00 0.00 WT3 H ATOM 45582 H2 TIP3 7636 81.235 69.994 36.591 1.00 0.00 WT3 H ATOM 45583 OH2 TIP3 7637 89.044 26.277 33.870 1.00 0.00 WT3 O ATOM 45584 H1 TIP3 7637 89.379 26.264 32.974 1.00 0.00 WT3 H ATOM 45585 H2 TIP3 7637 88.161 26.637 33.791 1.00 0.00 WT3 H ATOM 45586 OH2 TIP3 7638 68.008 2.664 62.240 1.00 0.00 WT3 O ATOM 45587 H1 TIP3 7638 67.389 2.371 61.571 1.00 0.00 WT3 H ATOM 45588 H2 TIP3 7638 68.781 2.116 62.108 1.00 0.00 WT3 H ATOM 45589 OH2 TIP3 7639 43.040 94.186 11.312 1.00 0.00 WT3 O ATOM 45590 H1 TIP3 7639 43.391 94.207 10.422 1.00 0.00 WT3 H ATOM 45591 H2 TIP3 7639 42.448 93.434 11.319 1.00 0.00 WT3 H ATOM 45592 OH2 TIP3 7640 67.811 74.757 58.211 1.00 0.00 WT3 O ATOM 45593 H1 TIP3 7640 68.093 74.913 57.310 1.00 0.00 WT3 H ATOM 45594 H2 TIP3 7640 67.577 75.624 58.543 1.00 0.00 WT3 H ATOM 45595 OH2 TIP3 7641 36.597 71.078 3.993 1.00 0.00 WT3 O ATOM 45596 H1 TIP3 7641 36.415 71.989 4.226 1.00 0.00 WT3 H ATOM 45597 H2 TIP3 7641 36.469 70.592 4.807 1.00 0.00 WT3 H ATOM 45598 OH2 TIP3 7642 80.898 43.747 -13.458 1.00 0.00 WT3 O ATOM 45599 H1 TIP3 7642 81.032 44.216 -12.634 1.00 0.00 WT3 H ATOM 45600 H2 TIP3 7642 79.949 43.643 -13.523 1.00 0.00 WT3 H ATOM 45601 OH2 TIP3 7643 53.114 74.138 -1.619 1.00 0.00 WT3 O ATOM 45602 H1 TIP3 7643 53.018 74.919 -1.075 1.00 0.00 WT3 H ATOM 45603 H2 TIP3 7643 53.848 73.661 -1.229 1.00 0.00 WT3 H ATOM 45604 OH2 TIP3 7644 35.206 54.525 9.333 1.00 0.00 WT3 O ATOM 45605 H1 TIP3 7644 35.599 55.011 10.058 1.00 0.00 WT3 H ATOM 45606 H2 TIP3 7644 35.912 53.966 9.009 1.00 0.00 WT3 H ATOM 45607 OH2 TIP3 7645 74.522 85.372 64.700 1.00 0.00 WT3 O ATOM 45608 H1 TIP3 7645 75.099 85.487 63.945 1.00 0.00 WT3 H ATOM 45609 H2 TIP3 7645 75.097 85.463 65.459 1.00 0.00 WT3 H ATOM 45610 OH2 TIP3 7646 56.984 84.577 26.327 1.00 0.00 WT3 O ATOM 45611 H1 TIP3 7646 57.369 84.937 27.126 1.00 0.00 WT3 H ATOM 45612 H2 TIP3 7646 57.073 85.278 25.681 1.00 0.00 WT3 H ATOM 45613 OH2 TIP3 7647 80.974 19.744 5.597 1.00 0.00 WT3 O ATOM 45614 H1 TIP3 7647 81.343 19.837 6.475 1.00 0.00 WT3 H ATOM 45615 H2 TIP3 7647 81.438 20.395 5.071 1.00 0.00 WT3 H ATOM 45616 OH2 TIP3 7649 79.028 50.203 4.334 1.00 0.00 WT3 O ATOM 45617 H1 TIP3 7649 78.823 49.756 5.155 1.00 0.00 WT3 H ATOM 45618 H2 TIP3 7649 79.972 50.086 4.226 1.00 0.00 WT3 H ATOM 45619 OH2 TIP3 7650 65.303 87.442 -18.843 1.00 0.00 WT3 O ATOM 45620 H1 TIP3 7650 65.869 86.998 -19.475 1.00 0.00 WT3 H ATOM 45621 H2 TIP3 7650 65.904 87.795 -18.188 1.00 0.00 WT3 H ATOM 45622 OH2 TIP3 7651 53.073 79.110 45.137 1.00 0.00 WT3 O ATOM 45623 H1 TIP3 7651 53.936 79.522 45.181 1.00 0.00 WT3 H ATOM 45624 H2 TIP3 7651 53.242 78.236 44.785 1.00 0.00 WT3 H ATOM 45625 OH2 TIP3 7652 22.755 53.223 64.530 1.00 0.00 WT3 O ATOM 45626 H1 TIP3 7652 23.537 53.608 64.924 1.00 0.00 WT3 H ATOM 45627 H2 TIP3 7652 22.037 53.785 64.823 1.00 0.00 WT3 H ATOM 45628 OH2 TIP3 7653 47.908 80.629 3.729 1.00 0.00 WT3 O ATOM 45629 H1 TIP3 7653 47.806 80.203 4.580 1.00 0.00 WT3 H ATOM 45630 H2 TIP3 7653 48.584 80.118 3.284 1.00 0.00 WT3 H ATOM 45631 OH2 TIP3 7654 55.805 25.508 -3.849 1.00 0.00 WT3 O ATOM 45632 H1 TIP3 7654 55.083 25.399 -3.229 1.00 0.00 WT3 H ATOM 45633 H2 TIP3 7654 55.818 24.692 -4.348 1.00 0.00 WT3 H ATOM 45634 OH2 TIP3 7656 20.377 61.785 2.554 1.00 0.00 WT3 O ATOM 45635 H1 TIP3 7656 21.136 62.355 2.434 1.00 0.00 WT3 H ATOM 45636 H2 TIP3 7656 20.563 61.305 3.361 1.00 0.00 WT3 H ATOM 45637 OH2 TIP3 7657 53.634 94.037 32.564 1.00 0.00 WT3 O ATOM 45638 H1 TIP3 7657 53.211 94.774 33.005 1.00 0.00 WT3 H ATOM 45639 H2 TIP3 7657 53.549 94.235 31.631 1.00 0.00 WT3 H ATOM 45640 OH2 TIP3 7658 58.940 76.889 -10.235 1.00 0.00 WT3 O ATOM 45641 H1 TIP3 7658 59.566 76.169 -10.316 1.00 0.00 WT3 H ATOM 45642 H2 TIP3 7658 58.777 76.961 -9.295 1.00 0.00 WT3 H ATOM 45643 OH2 TIP3 7659 46.361 1.070 40.807 1.00 0.00 WT3 O ATOM 45644 H1 TIP3 7659 45.941 0.336 40.358 1.00 0.00 WT3 H ATOM 45645 H2 TIP3 7659 45.676 1.734 40.875 1.00 0.00 WT3 H ATOM 45646 OH2 TIP3 7661 25.908 59.610 -1.246 1.00 0.00 WT3 O ATOM 45647 H1 TIP3 7661 25.212 60.048 -0.757 1.00 0.00 WT3 H ATOM 45648 H2 TIP3 7661 26.713 60.039 -0.955 1.00 0.00 WT3 H ATOM 45649 OH2 TIP3 7663 60.834 67.343 60.403 1.00 0.00 WT3 O ATOM 45650 H1 TIP3 7663 61.695 67.714 60.209 1.00 0.00 WT3 H ATOM 45651 H2 TIP3 7663 60.532 66.987 59.567 1.00 0.00 WT3 H ATOM 45652 OH2 TIP3 7664 53.132 88.285 2.769 1.00 0.00 WT3 O ATOM 45653 H1 TIP3 7664 53.490 88.511 3.628 1.00 0.00 WT3 H ATOM 45654 H2 TIP3 7664 52.321 87.816 2.962 1.00 0.00 WT3 H ATOM 45655 OH2 TIP3 7665 64.149 63.476 -13.659 1.00 0.00 WT3 O ATOM 45656 H1 TIP3 7665 63.854 63.793 -12.805 1.00 0.00 WT3 H ATOM 45657 H2 TIP3 7665 63.814 64.120 -14.283 1.00 0.00 WT3 H ATOM 45658 OH2 TIP3 7666 88.451 1.221 34.093 1.00 0.00 WT3 O ATOM 45659 H1 TIP3 7666 87.993 1.997 34.417 1.00 0.00 WT3 H ATOM 45660 H2 TIP3 7666 87.773 0.546 34.043 1.00 0.00 WT3 H ATOM 45661 OH2 TIP3 7668 65.722 11.794 2.977 1.00 0.00 WT3 O ATOM 45662 H1 TIP3 7668 65.116 12.532 2.911 1.00 0.00 WT3 H ATOM 45663 H2 TIP3 7668 65.522 11.395 3.824 1.00 0.00 WT3 H ATOM 45664 OH2 TIP3 7669 43.245 36.519 59.724 1.00 0.00 WT3 O ATOM 45665 H1 TIP3 7669 43.953 36.692 60.345 1.00 0.00 WT3 H ATOM 45666 H2 TIP3 7669 43.391 37.144 59.014 1.00 0.00 WT3 H ATOM 45667 OH2 TIP3 7670 67.138 30.126 -14.075 1.00 0.00 WT3 O ATOM 45668 H1 TIP3 7670 66.481 30.131 -13.379 1.00 0.00 WT3 H ATOM 45669 H2 TIP3 7670 67.854 30.662 -13.733 1.00 0.00 WT3 H ATOM 45670 OH2 TIP3 7671 65.420 41.941 10.638 1.00 0.00 WT3 O ATOM 45671 H1 TIP3 7671 65.503 41.293 11.337 1.00 0.00 WT3 H ATOM 45672 H2 TIP3 7671 65.105 42.731 11.078 1.00 0.00 WT3 H ATOM 45673 OH2 TIP3 7674 32.134 63.711 -14.053 1.00 0.00 WT3 O ATOM 45674 H1 TIP3 7674 32.707 63.014 -14.371 1.00 0.00 WT3 H ATOM 45675 H2 TIP3 7674 32.592 64.521 -14.281 1.00 0.00 WT3 H ATOM 45676 OH2 TIP3 7675 69.912 81.122 22.863 1.00 0.00 WT3 O ATOM 45677 H1 TIP3 7675 69.088 80.711 22.601 1.00 0.00 WT3 H ATOM 45678 H2 TIP3 7675 69.777 81.369 23.778 1.00 0.00 WT3 H ATOM 45679 OH2 TIP3 7676 81.129 42.413 43.251 1.00 0.00 WT3 O ATOM 45680 H1 TIP3 7676 81.137 42.738 44.151 1.00 0.00 WT3 H ATOM 45681 H2 TIP3 7676 80.615 43.060 42.767 1.00 0.00 WT3 H ATOM 45682 OH2 TIP3 7677 25.818 72.681 61.476 1.00 0.00 WT3 O ATOM 45683 H1 TIP3 7677 26.513 72.026 61.529 1.00 0.00 WT3 H ATOM 45684 H2 TIP3 7677 26.265 73.486 61.214 1.00 0.00 WT3 H ATOM 45685 OH2 TIP3 7678 38.747 93.127 35.715 1.00 0.00 WT3 O ATOM 45686 H1 TIP3 7678 38.913 92.280 36.129 1.00 0.00 WT3 H ATOM 45687 H2 TIP3 7678 39.451 93.221 35.073 1.00 0.00 WT3 H ATOM 45688 OH2 TIP3 7679 74.534 2.714 10.477 1.00 0.00 WT3 O ATOM 45689 H1 TIP3 7679 73.661 2.338 10.366 1.00 0.00 WT3 H ATOM 45690 H2 TIP3 7679 74.377 3.646 10.627 1.00 0.00 WT3 H ATOM 45691 OH2 TIP3 7680 31.587 61.506 3.668 1.00 0.00 WT3 O ATOM 45692 H1 TIP3 7680 31.839 60.649 4.012 1.00 0.00 WT3 H ATOM 45693 H2 TIP3 7680 31.921 62.131 4.310 1.00 0.00 WT3 H ATOM 45694 OH2 TIP3 7681 69.857 55.966 -17.081 1.00 0.00 WT3 O ATOM 45695 H1 TIP3 7681 70.729 55.754 -16.749 1.00 0.00 WT3 H ATOM 45696 H2 TIP3 7681 69.442 55.115 -17.226 1.00 0.00 WT3 H ATOM 45697 OH2 TIP3 7682 64.321 77.727 -6.312 1.00 0.00 WT3 O ATOM 45698 H1 TIP3 7682 63.957 78.582 -6.085 1.00 0.00 WT3 H ATOM 45699 H2 TIP3 7682 64.188 77.194 -5.528 1.00 0.00 WT3 H ATOM 45700 OH2 TIP3 7683 78.252 30.142 26.037 1.00 0.00 WT3 O ATOM 45701 H1 TIP3 7683 78.520 31.046 26.202 1.00 0.00 WT3 H ATOM 45702 H2 TIP3 7683 77.469 30.022 26.573 1.00 0.00 WT3 H ATOM 45703 OH2 TIP3 7684 90.597 55.764 -3.337 1.00 0.00 WT3 O ATOM 45704 H1 TIP3 7684 90.541 54.813 -3.427 1.00 0.00 WT3 H ATOM 45705 H2 TIP3 7684 89.964 56.103 -3.971 1.00 0.00 WT3 H ATOM 45706 OH2 TIP3 7685 62.231 94.442 32.793 1.00 0.00 WT3 O ATOM 45707 H1 TIP3 7685 62.004 94.899 31.984 1.00 0.00 WT3 H ATOM 45708 H2 TIP3 7685 62.719 93.671 32.505 1.00 0.00 WT3 H ATOM 45709 OH2 TIP3 7686 83.962 0.500 -13.520 1.00 0.00 WT3 O ATOM 45710 H1 TIP3 7686 83.526 0.544 -12.669 1.00 0.00 WT3 H ATOM 45711 H2 TIP3 7686 83.942 -0.429 -13.751 1.00 0.00 WT3 H ATOM 45712 OH2 TIP3 7690 86.743 92.493 67.009 1.00 0.00 WT3 O ATOM 45713 H1 TIP3 7690 86.478 92.949 67.808 1.00 0.00 WT3 H ATOM 45714 H2 TIP3 7690 87.288 93.127 66.541 1.00 0.00 WT3 H ATOM 45715 OH2 TIP3 7691 83.633 86.442 -13.252 1.00 0.00 WT3 O ATOM 45716 H1 TIP3 7691 84.070 86.105 -12.470 1.00 0.00 WT3 H ATOM 45717 H2 TIP3 7691 83.219 85.674 -13.645 1.00 0.00 WT3 H ATOM 45718 OH2 TIP3 7694 78.045 82.911 33.556 1.00 0.00 WT3 O ATOM 45719 H1 TIP3 7694 77.206 83.135 33.152 1.00 0.00 WT3 H ATOM 45720 H2 TIP3 7694 78.274 83.681 34.075 1.00 0.00 WT3 H ATOM 45721 OH2 TIP3 7695 71.134 32.658 45.673 1.00 0.00 WT3 O ATOM 45722 H1 TIP3 7695 71.272 32.401 46.584 1.00 0.00 WT3 H ATOM 45723 H2 TIP3 7695 71.157 31.835 45.185 1.00 0.00 WT3 H ATOM 45724 OH2 TIP3 7696 21.917 82.258 -4.113 1.00 0.00 WT3 O ATOM 45725 H1 TIP3 7696 22.331 83.066 -3.810 1.00 0.00 WT3 H ATOM 45726 H2 TIP3 7696 21.087 82.221 -3.639 1.00 0.00 WT3 H ATOM 45727 OH2 TIP3 7697 21.072 93.365 29.586 1.00 0.00 WT3 O ATOM 45728 H1 TIP3 7697 21.972 93.475 29.894 1.00 0.00 WT3 H ATOM 45729 H2 TIP3 7697 21.099 93.627 28.666 1.00 0.00 WT3 H ATOM 45730 OH2 TIP3 7698 56.714 41.810 1.873 1.00 0.00 WT3 O ATOM 45731 H1 TIP3 7698 57.116 42.389 2.521 1.00 0.00 WT3 H ATOM 45732 H2 TIP3 7698 55.806 41.721 2.161 1.00 0.00 WT3 H ATOM 45733 OH2 TIP3 7700 38.513 77.762 -10.848 1.00 0.00 WT3 O ATOM 45734 H1 TIP3 7700 39.317 77.674 -10.335 1.00 0.00 WT3 H ATOM 45735 H2 TIP3 7700 38.123 78.581 -10.542 1.00 0.00 WT3 H ATOM 45736 OH2 TIP3 7701 33.450 53.096 -3.322 1.00 0.00 WT3 O ATOM 45737 H1 TIP3 7701 33.397 53.712 -2.592 1.00 0.00 WT3 H ATOM 45738 H2 TIP3 7701 32.542 52.846 -3.492 1.00 0.00 WT3 H ATOM 45739 OH2 TIP3 7702 49.277 88.066 14.366 1.00 0.00 WT3 O ATOM 45740 H1 TIP3 7702 50.002 87.482 14.587 1.00 0.00 WT3 H ATOM 45741 H2 TIP3 7702 49.673 88.937 14.329 1.00 0.00 WT3 H ATOM 45742 OH2 TIP3 7704 88.056 78.485 5.955 1.00 0.00 WT3 O ATOM 45743 H1 TIP3 7704 88.909 78.606 5.538 1.00 0.00 WT3 H ATOM 45744 H2 TIP3 7704 87.976 77.538 6.069 1.00 0.00 WT3 H ATOM 45745 OH2 TIP3 7705 42.307 66.664 51.926 1.00 0.00 WT3 O ATOM 45746 H1 TIP3 7705 43.007 67.148 52.363 1.00 0.00 WT3 H ATOM 45747 H2 TIP3 7705 42.558 66.658 51.003 1.00 0.00 WT3 H ATOM 45748 OH2 TIP3 7706 52.812 78.384 15.767 1.00 0.00 WT3 O ATOM 45749 H1 TIP3 7706 51.953 78.593 16.135 1.00 0.00 WT3 H ATOM 45750 H2 TIP3 7706 53.051 79.160 15.259 1.00 0.00 WT3 H ATOM 45751 OH2 TIP3 7707 32.725 95.625 -18.323 1.00 0.00 WT3 O ATOM 45752 H1 TIP3 7707 32.131 96.328 -18.059 1.00 0.00 WT3 H ATOM 45753 H2 TIP3 7707 33.032 95.884 -19.191 1.00 0.00 WT3 H ATOM 45754 OH2 TIP3 7708 66.519 9.954 62.122 1.00 0.00 WT3 O ATOM 45755 H1 TIP3 7708 66.735 9.047 61.906 1.00 0.00 WT3 H ATOM 45756 H2 TIP3 7708 67.325 10.310 62.495 1.00 0.00 WT3 H ATOM 45757 OH2 TIP3 7709 82.117 18.434 42.878 1.00 0.00 WT3 O ATOM 45758 H1 TIP3 7709 81.998 18.252 41.946 1.00 0.00 WT3 H ATOM 45759 H2 TIP3 7709 81.912 19.364 42.970 1.00 0.00 WT3 H ATOM 45760 OH2 TIP3 7710 80.700 92.926 14.219 1.00 0.00 WT3 O ATOM 45761 H1 TIP3 7710 80.344 92.100 14.546 1.00 0.00 WT3 H ATOM 45762 H2 TIP3 7710 80.878 93.440 15.007 1.00 0.00 WT3 H ATOM 45763 OH2 TIP3 7712 68.257 13.923 -3.989 1.00 0.00 WT3 O ATOM 45764 H1 TIP3 7712 68.282 14.154 -4.918 1.00 0.00 WT3 H ATOM 45765 H2 TIP3 7712 69.143 13.617 -3.794 1.00 0.00 WT3 H ATOM 45766 OH2 TIP3 7713 55.743 20.421 52.274 1.00 0.00 WT3 O ATOM 45767 H1 TIP3 7713 55.210 19.702 52.614 1.00 0.00 WT3 H ATOM 45768 H2 TIP3 7713 55.199 20.824 51.597 1.00 0.00 WT3 H ATOM 45769 OH2 TIP3 7714 31.377 96.126 62.127 1.00 0.00 WT3 O ATOM 45770 H1 TIP3 7714 31.981 96.574 61.535 1.00 0.00 WT3 H ATOM 45771 H2 TIP3 7714 30.827 95.595 61.552 1.00 0.00 WT3 H ATOM 45772 OH2 TIP3 7716 53.349 16.152 1.390 1.00 0.00 WT3 O ATOM 45773 H1 TIP3 7716 53.282 15.431 0.764 1.00 0.00 WT3 H ATOM 45774 H2 TIP3 7716 54.114 15.937 1.924 1.00 0.00 WT3 H ATOM 45775 OH2 TIP3 7717 22.130 18.776 -12.209 1.00 0.00 WT3 O ATOM 45776 H1 TIP3 7717 21.216 18.896 -12.469 1.00 0.00 WT3 H ATOM 45777 H2 TIP3 7717 22.394 19.627 -11.860 1.00 0.00 WT3 H ATOM 45778 OH2 TIP3 7721 38.050 3.897 23.502 1.00 0.00 WT3 O ATOM 45779 H1 TIP3 7721 38.200 4.630 24.099 1.00 0.00 WT3 H ATOM 45780 H2 TIP3 7721 37.291 4.162 22.983 1.00 0.00 WT3 H ATOM 45781 OH2 TIP3 7722 75.240 16.266 4.032 1.00 0.00 WT3 O ATOM 45782 H1 TIP3 7722 74.481 15.994 3.517 1.00 0.00 WT3 H ATOM 45783 H2 TIP3 7722 75.251 17.221 3.958 1.00 0.00 WT3 H ATOM 45784 OH2 TIP3 7723 51.270 79.223 56.464 1.00 0.00 WT3 O ATOM 45785 H1 TIP3 7723 51.516 79.122 55.545 1.00 0.00 WT3 H ATOM 45786 H2 TIP3 7723 50.974 80.130 56.535 1.00 0.00 WT3 H ATOM 45787 OH2 TIP3 7724 28.768 86.063 58.142 1.00 0.00 WT3 O ATOM 45788 H1 TIP3 7724 29.312 85.352 57.802 1.00 0.00 WT3 H ATOM 45789 H2 TIP3 7724 28.374 86.458 57.364 1.00 0.00 WT3 H ATOM 45790 OH2 TIP3 7733 34.470 21.055 26.853 1.00 0.00 WT3 O ATOM 45791 H1 TIP3 7733 35.242 20.603 26.513 1.00 0.00 WT3 H ATOM 45792 H2 TIP3 7733 33.759 20.422 26.756 1.00 0.00 WT3 H ATOM 45793 OH2 TIP3 7734 33.934 66.552 26.412 1.00 0.00 WT3 O ATOM 45794 H1 TIP3 7734 34.577 66.169 25.816 1.00 0.00 WT3 H ATOM 45795 H2 TIP3 7734 34.157 67.482 26.442 1.00 0.00 WT3 H ATOM 45796 OH2 TIP3 7735 72.564 78.039 11.924 1.00 0.00 WT3 O ATOM 45797 H1 TIP3 7735 72.473 77.382 11.234 1.00 0.00 WT3 H ATOM 45798 H2 TIP3 7735 73.025 78.765 11.505 1.00 0.00 WT3 H ATOM 45799 OH2 TIP3 7739 73.109 2.862 50.887 1.00 0.00 WT3 O ATOM 45800 H1 TIP3 7739 72.812 2.178 50.286 1.00 0.00 WT3 H ATOM 45801 H2 TIP3 7739 73.589 3.476 50.332 1.00 0.00 WT3 H ATOM 45802 OH2 TIP3 7743 32.216 78.697 25.444 1.00 0.00 WT3 O ATOM 45803 H1 TIP3 7743 33.110 79.006 25.593 1.00 0.00 WT3 H ATOM 45804 H2 TIP3 7743 32.057 78.862 24.515 1.00 0.00 WT3 H ATOM 45805 OH2 TIP3 7744 52.149 52.175 21.427 1.00 0.00 WT3 O ATOM 45806 H1 TIP3 7744 51.521 51.675 20.906 1.00 0.00 WT3 H ATOM 45807 H2 TIP3 7744 52.481 52.843 20.827 1.00 0.00 WT3 H ATOM 45808 OH2 TIP3 7757 36.310 69.479 29.107 1.00 0.00 WT3 O ATOM 45809 H1 TIP3 7757 36.936 70.186 28.950 1.00 0.00 WT3 H ATOM 45810 H2 TIP3 7757 36.833 68.679 29.051 1.00 0.00 WT3 H ATOM 45811 OH2 TIP3 7791 56.992 70.865 62.829 1.00 0.00 WT3 O ATOM 45812 H1 TIP3 7791 56.271 71.480 62.695 1.00 0.00 WT3 H ATOM 45813 H2 TIP3 7791 56.678 70.042 62.456 1.00 0.00 WT3 H ATOM 45814 OH2 TIP3 7855 87.537 6.423 49.212 1.00 0.00 WT3 O ATOM 45815 H1 TIP3 7855 87.581 7.363 49.385 1.00 0.00 WT3 H ATOM 45816 H2 TIP3 7855 88.324 6.065 49.622 1.00 0.00 WT3 H ATOM 45817 OH2 TIP3 7867 54.658 89.461 49.574 1.00 0.00 WT3 O ATOM 45818 H1 TIP3 7867 54.879 89.889 50.401 1.00 0.00 WT3 H ATOM 45819 H2 TIP3 7867 55.283 88.740 49.503 1.00 0.00 WT3 H ATOM 45820 OH2 TIP3 7869 56.829 65.850 27.230 1.00 0.00 WT3 O ATOM 45821 H1 TIP3 7869 56.940 65.482 28.107 1.00 0.00 WT3 H ATOM 45822 H2 TIP3 7869 56.512 65.118 26.702 1.00 0.00 WT3 H ATOM 45823 OH2 TIP3 7872 54.249 30.592 -0.489 1.00 0.00 WT3 O ATOM 45824 H1 TIP3 7872 53.339 30.411 -0.251 1.00 0.00 WT3 H ATOM 45825 H2 TIP3 7872 54.759 30.277 0.257 1.00 0.00 WT3 H ATOM 45826 OH2 TIP3 7876 74.508 5.677 10.524 1.00 0.00 WT3 O ATOM 45827 H1 TIP3 7876 74.130 6.437 10.082 1.00 0.00 WT3 H ATOM 45828 H2 TIP3 7876 75.409 5.635 10.202 1.00 0.00 WT3 H ATOM 45829 OH2 TIP3 7883 58.989 44.263 -12.025 1.00 0.00 WT3 O ATOM 45830 H1 TIP3 7883 58.956 44.155 -11.074 1.00 0.00 WT3 H ATOM 45831 H2 TIP3 7883 58.165 43.891 -12.338 1.00 0.00 WT3 H ATOM 45832 OH2 TIP3 7886 68.504 67.257 28.685 1.00 0.00 WT3 O ATOM 45833 H1 TIP3 7886 68.445 68.068 29.191 1.00 0.00 WT3 H ATOM 45834 H2 TIP3 7886 67.643 67.167 28.276 1.00 0.00 WT3 H ATOM 45835 OH2 TIP3 7891 82.040 92.201 39.698 1.00 0.00 WT3 O ATOM 45836 H1 TIP3 7891 82.652 92.670 39.131 1.00 0.00 WT3 H ATOM 45837 H2 TIP3 7891 81.187 92.587 39.501 1.00 0.00 WT3 H ATOM 45838 OH2 TIP3 7894 48.318 25.540 38.252 1.00 0.00 WT3 O ATOM 45839 H1 TIP3 7894 47.440 25.280 37.974 1.00 0.00 WT3 H ATOM 45840 H2 TIP3 7894 48.337 25.352 39.191 1.00 0.00 WT3 H ATOM 45841 OH2 TIP3 7895 76.607 89.431 -3.539 1.00 0.00 WT3 O ATOM 45842 H1 TIP3 7895 77.474 89.389 -3.136 1.00 0.00 WT3 H ATOM 45843 H2 TIP3 7895 76.122 90.058 -3.003 1.00 0.00 WT3 H ATOM 45844 OH2 TIP3 7896 39.326 54.201 0.030 1.00 0.00 WT3 O ATOM 45845 H1 TIP3 7896 40.009 54.584 0.580 1.00 0.00 WT3 H ATOM 45846 H2 TIP3 7896 39.516 54.528 -0.850 1.00 0.00 WT3 H ATOM 45847 OH2 TIP3 7897 37.838 88.873 47.587 1.00 0.00 WT3 O ATOM 45848 H1 TIP3 7897 36.986 89.303 47.510 1.00 0.00 WT3 H ATOM 45849 H2 TIP3 7897 38.473 89.564 47.400 1.00 0.00 WT3 H ATOM 45850 OH2 TIP3 7901 76.255 76.147 -3.923 1.00 0.00 WT3 O ATOM 45851 H1 TIP3 7901 76.185 75.196 -3.996 1.00 0.00 WT3 H ATOM 45852 H2 TIP3 7901 75.795 76.360 -3.111 1.00 0.00 WT3 H ATOM 45853 OH2 TIP3 7908 85.422 29.441 6.764 1.00 0.00 WT3 O ATOM 45854 H1 TIP3 7908 86.163 29.905 7.155 1.00 0.00 WT3 H ATOM 45855 H2 TIP3 7908 84.676 30.026 6.898 1.00 0.00 WT3 H ATOM 45856 OH2 TIP3 7915 80.534 47.052 40.901 1.00 0.00 WT3 O ATOM 45857 H1 TIP3 7915 81.069 46.942 41.688 1.00 0.00 WT3 H ATOM 45858 H2 TIP3 7915 79.773 47.552 41.197 1.00 0.00 WT3 H ATOM 45859 OH2 TIP3 7922 43.241 95.059 57.438 1.00 0.00 WT3 O ATOM 45860 H1 TIP3 7922 43.402 95.680 58.148 1.00 0.00 WT3 H ATOM 45861 H2 TIP3 7922 43.084 95.609 56.670 1.00 0.00 WT3 H ATOM 45862 OH2 TIP3 7923 62.571 70.197 -2.463 1.00 0.00 WT3 O ATOM 45863 H1 TIP3 7923 61.908 69.678 -2.008 1.00 0.00 WT3 H ATOM 45864 H2 TIP3 7923 63.014 70.684 -1.768 1.00 0.00 WT3 H ATOM 45865 OH2 TIP3 7924 77.656 39.384 40.473 1.00 0.00 WT3 O ATOM 45866 H1 TIP3 7924 78.438 39.634 40.965 1.00 0.00 WT3 H ATOM 45867 H2 TIP3 7924 77.759 39.814 39.624 1.00 0.00 WT3 H ATOM 45868 OH2 TIP3 7926 63.600 1.425 13.387 1.00 0.00 WT3 O ATOM 45869 H1 TIP3 7926 63.131 1.108 14.158 1.00 0.00 WT3 H ATOM 45870 H2 TIP3 7926 64.033 2.226 13.683 1.00 0.00 WT3 H ATOM 45871 OH2 TIP3 7927 49.920 76.904 4.436 1.00 0.00 WT3 O ATOM 45872 H1 TIP3 7927 49.680 77.098 5.342 1.00 0.00 WT3 H ATOM 45873 H2 TIP3 7927 50.047 75.955 4.419 1.00 0.00 WT3 H ATOM 45874 OH2 TIP3 7929 29.761 85.692 1.854 1.00 0.00 WT3 O ATOM 45875 H1 TIP3 7929 30.594 86.161 1.903 1.00 0.00 WT3 H ATOM 45876 H2 TIP3 7929 30.007 84.767 1.832 1.00 0.00 WT3 H ATOM 45877 OH2 TIP3 7930 89.037 79.738 18.771 1.00 0.00 WT3 O ATOM 45878 H1 TIP3 7930 89.852 79.959 18.321 1.00 0.00 WT3 H ATOM 45879 H2 TIP3 7930 89.281 79.682 19.695 1.00 0.00 WT3 H ATOM 45880 OH2 TIP3 7931 67.085 30.116 65.987 1.00 0.00 WT3 O ATOM 45881 H1 TIP3 7931 67.108 30.201 65.034 1.00 0.00 WT3 H ATOM 45882 H2 TIP3 7931 66.197 30.380 66.229 1.00 0.00 WT3 H ATOM 45883 OH2 TIP3 7932 35.769 14.458 15.235 1.00 0.00 WT3 O ATOM 45884 H1 TIP3 7932 35.242 13.829 15.727 1.00 0.00 WT3 H ATOM 45885 H2 TIP3 7932 36.154 15.025 15.904 1.00 0.00 WT3 H ATOM 45886 OH2 TIP3 7933 77.133 25.996 31.124 1.00 0.00 WT3 O ATOM 45887 H1 TIP3 7933 77.364 26.625 30.441 1.00 0.00 WT3 H ATOM 45888 H2 TIP3 7933 77.868 26.027 31.737 1.00 0.00 WT3 H ATOM 45889 OH2 TIP3 7937 74.454 86.776 44.054 1.00 0.00 WT3 O ATOM 45890 H1 TIP3 7937 73.548 86.702 43.752 1.00 0.00 WT3 H ATOM 45891 H2 TIP3 7937 74.671 87.700 43.935 1.00 0.00 WT3 H ATOM 45892 OH2 TIP3 7938 43.283 16.010 48.303 1.00 0.00 WT3 O ATOM 45893 H1 TIP3 7938 43.732 15.541 47.600 1.00 0.00 WT3 H ATOM 45894 H2 TIP3 7938 42.379 16.091 47.998 1.00 0.00 WT3 H ATOM 45895 OH2 TIP3 7939 82.017 5.132 41.356 1.00 0.00 WT3 O ATOM 45896 H1 TIP3 7939 82.394 5.040 40.481 1.00 0.00 WT3 H ATOM 45897 H2 TIP3 7939 82.748 4.963 41.951 1.00 0.00 WT3 H ATOM 45898 OH2 TIP3 7941 38.212 74.754 -19.576 1.00 0.00 WT3 O ATOM 45899 H1 TIP3 7941 38.515 75.619 -19.300 1.00 0.00 WT3 H ATOM 45900 H2 TIP3 7941 38.944 74.391 -20.074 1.00 0.00 WT3 H ATOM 45901 OH2 TIP3 7942 49.344 66.407 5.829 1.00 0.00 WT3 O ATOM 45902 H1 TIP3 7942 49.545 66.175 6.736 1.00 0.00 WT3 H ATOM 45903 H2 TIP3 7942 49.944 65.874 5.306 1.00 0.00 WT3 H ATOM 45904 OH2 TIP3 7943 50.678 79.666 6.098 1.00 0.00 WT3 O ATOM 45905 H1 TIP3 7943 51.633 79.682 6.164 1.00 0.00 WT3 H ATOM 45906 H2 TIP3 7943 50.451 78.737 6.133 1.00 0.00 WT3 H ATOM 45907 OH2 TIP3 7945 77.173 63.301 10.359 1.00 0.00 WT3 O ATOM 45908 H1 TIP3 7945 76.502 62.742 10.750 1.00 0.00 WT3 H ATOM 45909 H2 TIP3 7945 76.709 64.103 10.122 1.00 0.00 WT3 H ATOM 45910 OH2 TIP3 7947 64.366 93.546 27.166 1.00 0.00 WT3 O ATOM 45911 H1 TIP3 7947 64.880 94.339 27.321 1.00 0.00 WT3 H ATOM 45912 H2 TIP3 7947 64.129 93.239 28.041 1.00 0.00 WT3 H ATOM 45913 OH2 TIP3 7948 83.031 40.827 -17.611 1.00 0.00 WT3 O ATOM 45914 H1 TIP3 7948 83.668 41.366 -18.079 1.00 0.00 WT3 H ATOM 45915 H2 TIP3 7948 82.324 41.432 -17.386 1.00 0.00 WT3 H ATOM 45916 OH2 TIP3 7949 55.625 26.134 19.331 1.00 0.00 WT3 O ATOM 45917 H1 TIP3 7949 54.970 26.280 18.649 1.00 0.00 WT3 H ATOM 45918 H2 TIP3 7949 55.230 26.497 20.124 1.00 0.00 WT3 H ATOM 45919 OH2 TIP3 7950 77.170 67.465 31.889 1.00 0.00 WT3 O ATOM 45920 H1 TIP3 7950 76.335 67.180 31.518 1.00 0.00 WT3 H ATOM 45921 H2 TIP3 7950 76.961 67.711 32.790 1.00 0.00 WT3 H ATOM 45922 OH2 TIP3 7951 79.717 54.332 12.503 1.00 0.00 WT3 O ATOM 45923 H1 TIP3 7951 78.989 54.599 13.064 1.00 0.00 WT3 H ATOM 45924 H2 TIP3 7951 80.169 53.652 13.002 1.00 0.00 WT3 H ATOM 45925 OH2 TIP3 7952 48.698 58.516 9.806 1.00 0.00 WT3 O ATOM 45926 H1 TIP3 7952 49.575 58.140 9.729 1.00 0.00 WT3 H ATOM 45927 H2 TIP3 7952 48.646 58.818 10.713 1.00 0.00 WT3 H ATOM 45928 OH2 TIP3 7953 23.978 46.324 65.887 1.00 0.00 WT3 O ATOM 45929 H1 TIP3 7953 23.661 45.804 66.625 1.00 0.00 WT3 H ATOM 45930 H2 TIP3 7953 24.930 46.323 65.984 1.00 0.00 WT3 H ATOM 45931 OH2 TIP3 7955 68.231 5.369 7.831 1.00 0.00 WT3 O ATOM 45932 H1 TIP3 7955 67.649 5.350 8.590 1.00 0.00 WT3 H ATOM 45933 H2 TIP3 7955 67.734 5.835 7.159 1.00 0.00 WT3 H ATOM 45934 OH2 TIP3 7957 46.344 93.958 33.919 1.00 0.00 WT3 O ATOM 45935 H1 TIP3 7957 46.254 93.006 33.975 1.00 0.00 WT3 H ATOM 45936 H2 TIP3 7957 47.226 94.097 33.575 1.00 0.00 WT3 H ATOM 45937 OH2 TIP3 7958 69.382 91.229 56.090 1.00 0.00 WT3 O ATOM 45938 H1 TIP3 7958 69.626 91.654 56.912 1.00 0.00 WT3 H ATOM 45939 H2 TIP3 7958 70.127 90.664 55.881 1.00 0.00 WT3 H ATOM 45940 OH2 TIP3 7960 33.121 21.842 -13.650 1.00 0.00 WT3 O ATOM 45941 H1 TIP3 7960 33.193 20.913 -13.870 1.00 0.00 WT3 H ATOM 45942 H2 TIP3 7960 32.417 21.882 -13.003 1.00 0.00 WT3 H ATOM 45943 OH2 TIP3 7961 42.022 15.170 -19.803 1.00 0.00 WT3 O ATOM 45944 H1 TIP3 7961 42.963 15.164 -19.627 1.00 0.00 WT3 H ATOM 45945 H2 TIP3 7961 41.680 14.425 -19.308 1.00 0.00 WT3 H ATOM 45946 OH2 TIP3 7962 22.028 59.531 59.879 1.00 0.00 WT3 O ATOM 45947 H1 TIP3 7962 21.444 60.025 60.454 1.00 0.00 WT3 H ATOM 45948 H2 TIP3 7962 21.647 58.654 59.846 1.00 0.00 WT3 H ATOM 45949 OH2 TIP3 7963 43.759 42.525 0.904 1.00 0.00 WT3 O ATOM 45950 H1 TIP3 7963 44.508 42.737 1.460 1.00 0.00 WT3 H ATOM 45951 H2 TIP3 7963 43.196 41.982 1.457 1.00 0.00 WT3 H ATOM 45952 OH2 TIP3 7964 89.502 8.317 1.000 1.00 0.00 WT3 O ATOM 45953 H1 TIP3 7964 90.225 8.897 1.238 1.00 0.00 WT3 H ATOM 45954 H2 TIP3 7964 89.820 7.839 0.235 1.00 0.00 WT3 H ATOM 45955 OH2 TIP3 7965 22.006 53.077 -0.669 1.00 0.00 WT3 O ATOM 45956 H1 TIP3 7965 22.787 53.107 -1.221 1.00 0.00 WT3 H ATOM 45957 H2 TIP3 7965 21.981 53.933 -0.241 1.00 0.00 WT3 H ATOM 45958 OH2 TIP3 7966 77.990 44.711 17.325 1.00 0.00 WT3 O ATOM 45959 H1 TIP3 7966 78.186 44.954 18.229 1.00 0.00 WT3 H ATOM 45960 H2 TIP3 7966 77.121 45.076 17.161 1.00 0.00 WT3 H ATOM 45961 OH2 TIP3 7967 52.910 95.758 39.583 1.00 0.00 WT3 O ATOM 45962 H1 TIP3 7967 53.609 95.390 39.043 1.00 0.00 WT3 H ATOM 45963 H2 TIP3 7967 52.121 95.667 39.050 1.00 0.00 WT3 H ATOM 45964 OH2 TIP3 7969 51.318 95.903 24.764 1.00 0.00 WT3 O ATOM 45965 H1 TIP3 7969 51.560 96.388 23.974 1.00 0.00 WT3 H ATOM 45966 H2 TIP3 7969 52.127 95.469 25.035 1.00 0.00 WT3 H ATOM 45967 OH2 TIP3 7970 83.390 80.513 19.616 1.00 0.00 WT3 O ATOM 45968 H1 TIP3 7970 83.412 80.521 20.573 1.00 0.00 WT3 H ATOM 45969 H2 TIP3 7970 83.246 79.595 19.387 1.00 0.00 WT3 H ATOM 45970 OH2 TIP3 7973 84.950 84.688 57.552 1.00 0.00 WT3 O ATOM 45971 H1 TIP3 7973 84.515 83.851 57.714 1.00 0.00 WT3 H ATOM 45972 H2 TIP3 7973 84.913 85.145 58.392 1.00 0.00 WT3 H ATOM 45973 OH2 TIP3 7974 20.984 5.928 -17.408 1.00 0.00 WT3 O ATOM 45974 H1 TIP3 7974 21.218 6.222 -18.289 1.00 0.00 WT3 H ATOM 45975 H2 TIP3 7974 20.811 6.736 -16.924 1.00 0.00 WT3 H ATOM 45976 OH2 TIP3 7976 68.123 77.420 8.939 1.00 0.00 WT3 O ATOM 45977 H1 TIP3 7976 67.557 77.370 9.710 1.00 0.00 WT3 H ATOM 45978 H2 TIP3 7976 67.638 76.957 8.255 1.00 0.00 WT3 H ATOM 45979 OH2 TIP3 7978 62.981 69.897 62.928 1.00 0.00 WT3 O ATOM 45980 H1 TIP3 7978 62.063 69.624 62.936 1.00 0.00 WT3 H ATOM 45981 H2 TIP3 7978 63.194 69.994 62.000 1.00 0.00 WT3 H ATOM 45982 OH2 TIP3 7980 48.585 70.037 10.383 1.00 0.00 WT3 O ATOM 45983 H1 TIP3 7980 48.750 69.642 11.239 1.00 0.00 WT3 H ATOM 45984 H2 TIP3 7980 47.635 70.156 10.353 1.00 0.00 WT3 H ATOM 45985 OH2 TIP3 7981 43.513 71.028 60.815 1.00 0.00 WT3 O ATOM 45986 H1 TIP3 7981 43.133 70.321 61.335 1.00 0.00 WT3 H ATOM 45987 H2 TIP3 7981 42.948 71.092 60.046 1.00 0.00 WT3 H ATOM 45988 OH2 TIP3 7982 41.266 85.960 -17.562 1.00 0.00 WT3 O ATOM 45989 H1 TIP3 7982 41.985 85.451 -17.937 1.00 0.00 WT3 H ATOM 45990 H2 TIP3 7982 40.486 85.427 -17.722 1.00 0.00 WT3 H ATOM 45991 OH2 TIP3 7983 35.290 20.506 33.528 1.00 0.00 WT3 O ATOM 45992 H1 TIP3 7983 34.957 19.629 33.335 1.00 0.00 WT3 H ATOM 45993 H2 TIP3 7983 34.995 21.042 32.792 1.00 0.00 WT3 H ATOM 45994 OH2 TIP3 7984 70.637 85.466 -15.464 1.00 0.00 WT3 O ATOM 45995 H1 TIP3 7984 70.977 84.637 -15.801 1.00 0.00 WT3 H ATOM 45996 H2 TIP3 7984 69.738 85.507 -15.789 1.00 0.00 WT3 H ATOM 45997 OH2 TIP3 7985 67.610 78.397 53.082 1.00 0.00 WT3 O ATOM 45998 H1 TIP3 7985 67.171 78.732 53.863 1.00 0.00 WT3 H ATOM 45999 H2 TIP3 7985 67.282 77.503 52.987 1.00 0.00 WT3 H ATOM 46000 OH2 TIP3 7986 22.009 68.882 49.520 1.00 0.00 WT3 O ATOM 46001 H1 TIP3 7986 22.746 68.513 49.033 1.00 0.00 WT3 H ATOM 46002 H2 TIP3 7986 21.742 69.646 49.009 1.00 0.00 WT3 H ATOM 46003 OH2 TIP3 7987 26.385 60.846 -12.543 1.00 0.00 WT3 O ATOM 46004 H1 TIP3 7987 27.222 60.709 -12.099 1.00 0.00 WT3 H ATOM 46005 H2 TIP3 7987 26.363 61.784 -12.732 1.00 0.00 WT3 H ATOM 46006 OH2 TIP3 7988 57.968 5.915 -7.131 1.00 0.00 WT3 O ATOM 46007 H1 TIP3 7988 57.508 5.426 -7.814 1.00 0.00 WT3 H ATOM 46008 H2 TIP3 7988 57.695 5.498 -6.313 1.00 0.00 WT3 H ATOM 46009 OH2 TIP3 7989 73.631 36.926 -9.633 1.00 0.00 WT3 O ATOM 46010 H1 TIP3 7989 74.318 37.237 -9.044 1.00 0.00 WT3 H ATOM 46011 H2 TIP3 7989 73.013 37.656 -9.688 1.00 0.00 WT3 H ATOM 46012 OH2 TIP3 7990 86.554 22.096 5.994 1.00 0.00 WT3 O ATOM 46013 H1 TIP3 7990 86.724 21.817 6.893 1.00 0.00 WT3 H ATOM 46014 H2 TIP3 7990 87.408 22.377 5.664 1.00 0.00 WT3 H ATOM 46015 OH2 TIP3 7991 42.832 90.100 13.779 1.00 0.00 WT3 O ATOM 46016 H1 TIP3 7991 42.506 89.212 13.638 1.00 0.00 WT3 H ATOM 46017 H2 TIP3 7991 43.674 90.122 13.324 1.00 0.00 WT3 H ATOM 46018 OH2 TIP3 7992 26.040 37.187 61.371 1.00 0.00 WT3 O ATOM 46019 H1 TIP3 7992 26.145 36.472 60.743 1.00 0.00 WT3 H ATOM 46020 H2 TIP3 7992 26.880 37.229 61.829 1.00 0.00 WT3 H ATOM 46021 OH2 TIP3 7993 45.678 56.275 63.052 1.00 0.00 WT3 O ATOM 46022 H1 TIP3 7993 46.231 56.983 62.720 1.00 0.00 WT3 H ATOM 46023 H2 TIP3 7993 46.235 55.808 63.675 1.00 0.00 WT3 H ATOM 46024 OH2 TIP3 7995 83.318 67.753 38.489 1.00 0.00 WT3 O ATOM 46025 H1 TIP3 7995 83.901 68.272 39.043 1.00 0.00 WT3 H ATOM 46026 H2 TIP3 7995 83.478 68.077 37.602 1.00 0.00 WT3 H ATOM 46027 OH2 TIP3 7996 84.468 96.900 3.541 1.00 0.00 WT3 O ATOM 46028 H1 TIP3 7996 85.196 96.731 2.944 1.00 0.00 WT3 H ATOM 46029 H2 TIP3 7996 83.843 96.198 3.363 1.00 0.00 WT3 H ATOM 46030 OH2 TIP3 7997 81.353 55.419 31.921 1.00 0.00 WT3 O ATOM 46031 H1 TIP3 7997 80.763 54.891 31.383 1.00 0.00 WT3 H ATOM 46032 H2 TIP3 7997 81.984 55.782 31.300 1.00 0.00 WT3 H ATOM 46033 OH2 TIP3 7999 70.093 65.203 -18.434 1.00 0.00 WT3 O ATOM 46034 H1 TIP3 7999 70.573 65.983 -18.712 1.00 0.00 WT3 H ATOM 46035 H2 TIP3 7999 70.398 64.511 -19.022 1.00 0.00 WT3 H ATOM 46036 OH2 TIP3 8001 75.945 84.429 -16.891 1.00 0.00 WT3 O ATOM 46037 H1 TIP3 8001 76.530 84.517 -16.138 1.00 0.00 WT3 H ATOM 46038 H2 TIP3 8001 75.205 85.001 -16.688 1.00 0.00 WT3 H ATOM 46039 OH2 TIP3 8002 83.181 43.919 -1.863 1.00 0.00 WT3 O ATOM 46040 H1 TIP3 8002 82.470 43.804 -2.493 1.00 0.00 WT3 H ATOM 46041 H2 TIP3 8002 83.665 44.681 -2.182 1.00 0.00 WT3 H ATOM 46042 OH2 TIP3 8003 50.324 89.229 19.990 1.00 0.00 WT3 O ATOM 46043 H1 TIP3 8003 49.525 89.602 20.364 1.00 0.00 WT3 H ATOM 46044 H2 TIP3 8003 51.034 89.646 20.477 1.00 0.00 WT3 H ATOM 46045 OH2 TIP3 8004 74.313 93.775 64.676 1.00 0.00 WT3 O ATOM 46046 H1 TIP3 8004 74.504 94.018 65.582 1.00 0.00 WT3 H ATOM 46047 H2 TIP3 8004 74.651 94.504 64.155 1.00 0.00 WT3 H ATOM 46048 OH2 TIP3 8005 48.416 95.492 23.620 1.00 0.00 WT3 O ATOM 46049 H1 TIP3 8005 49.326 95.281 23.829 1.00 0.00 WT3 H ATOM 46050 H2 TIP3 8005 48.473 96.089 22.873 1.00 0.00 WT3 H ATOM 46051 OH2 TIP3 8006 31.654 58.390 23.449 1.00 0.00 WT3 O ATOM 46052 H1 TIP3 8006 32.164 59.059 22.993 1.00 0.00 WT3 H ATOM 46053 H2 TIP3 8006 32.249 57.644 23.525 1.00 0.00 WT3 H ATOM 46054 OH2 TIP3 8007 62.647 49.209 14.124 1.00 0.00 WT3 O ATOM 46055 H1 TIP3 8007 62.757 49.345 15.065 1.00 0.00 WT3 H ATOM 46056 H2 TIP3 8007 61.707 49.076 14.009 1.00 0.00 WT3 H ATOM 46057 OH2 TIP3 8008 50.743 68.787 53.685 1.00 0.00 WT3 O ATOM 46058 H1 TIP3 8008 50.360 68.528 52.846 1.00 0.00 WT3 H ATOM 46059 H2 TIP3 8008 50.814 67.970 54.179 1.00 0.00 WT3 H ATOM 46060 OH2 TIP3 8009 90.196 44.308 16.441 1.00 0.00 WT3 O ATOM 46061 H1 TIP3 8009 90.796 43.676 16.046 1.00 0.00 WT3 H ATOM 46062 H2 TIP3 8009 90.473 44.363 17.356 1.00 0.00 WT3 H ATOM 46063 OH2 TIP3 8011 64.946 4.092 63.688 1.00 0.00 WT3 O ATOM 46064 H1 TIP3 8011 64.572 4.340 62.842 1.00 0.00 WT3 H ATOM 46065 H2 TIP3 8011 65.805 4.515 63.704 1.00 0.00 WT3 H ATOM 46066 OH2 TIP3 8013 71.100 58.198 42.078 1.00 0.00 WT3 O ATOM 46067 H1 TIP3 8013 70.253 58.600 41.886 1.00 0.00 WT3 H ATOM 46068 H2 TIP3 8013 71.150 57.449 41.483 1.00 0.00 WT3 H ATOM 46069 OH2 TIP3 8014 90.480 46.046 -13.135 1.00 0.00 WT3 O ATOM 46070 H1 TIP3 8014 89.916 45.556 -12.537 1.00 0.00 WT3 H ATOM 46071 H2 TIP3 8014 90.023 46.017 -13.975 1.00 0.00 WT3 H ATOM 46072 OH2 TIP3 8016 24.589 89.015 -3.106 1.00 0.00 WT3 O ATOM 46073 H1 TIP3 8016 24.708 88.290 -3.719 1.00 0.00 WT3 H ATOM 46074 H2 TIP3 8016 25.260 88.878 -2.437 1.00 0.00 WT3 H ATOM 46075 OH2 TIP3 8017 24.440 32.628 11.358 1.00 0.00 WT3 O ATOM 46076 H1 TIP3 8017 23.781 33.269 11.624 1.00 0.00 WT3 H ATOM 46077 H2 TIP3 8017 25.275 33.025 11.607 1.00 0.00 WT3 H ATOM 46078 OH2 TIP3 8018 68.446 67.487 66.402 1.00 0.00 WT3 O ATOM 46079 H1 TIP3 8018 68.122 67.212 65.544 1.00 0.00 WT3 H ATOM 46080 H2 TIP3 8018 67.996 66.914 67.023 1.00 0.00 WT3 H ATOM 46081 OH2 TIP3 8019 88.182 75.701 3.503 1.00 0.00 WT3 O ATOM 46082 H1 TIP3 8019 88.644 74.863 3.504 1.00 0.00 WT3 H ATOM 46083 H2 TIP3 8019 87.982 75.866 4.424 1.00 0.00 WT3 H ATOM 46084 OH2 TIP3 8022 69.856 49.456 10.259 1.00 0.00 WT3 O ATOM 46085 H1 TIP3 8022 69.980 49.715 11.172 1.00 0.00 WT3 H ATOM 46086 H2 TIP3 8022 68.949 49.153 10.217 1.00 0.00 WT3 H ATOM 46087 OH2 TIP3 8023 29.864 91.021 -5.478 1.00 0.00 WT3 O ATOM 46088 H1 TIP3 8023 30.217 90.720 -4.641 1.00 0.00 WT3 H ATOM 46089 H2 TIP3 8023 30.442 90.635 -6.136 1.00 0.00 WT3 H ATOM 46090 OH2 TIP3 8024 37.146 59.251 9.084 1.00 0.00 WT3 O ATOM 46091 H1 TIP3 8024 37.909 58.794 8.729 1.00 0.00 WT3 H ATOM 46092 H2 TIP3 8024 36.834 58.684 9.789 1.00 0.00 WT3 H ATOM 46093 OH2 TIP3 8025 90.212 69.115 42.226 1.00 0.00 WT3 O ATOM 46094 H1 TIP3 8025 89.832 68.423 41.685 1.00 0.00 WT3 H ATOM 46095 H2 TIP3 8025 91.156 69.029 42.097 1.00 0.00 WT3 H ATOM 46096 OH2 TIP3 8026 23.240 39.487 41.991 1.00 0.00 WT3 O ATOM 46097 H1 TIP3 8026 23.147 40.081 41.246 1.00 0.00 WT3 H ATOM 46098 H2 TIP3 8026 22.938 38.641 41.663 1.00 0.00 WT3 H ATOM 46099 OH2 TIP3 8027 81.497 22.113 61.439 1.00 0.00 WT3 O ATOM 46100 H1 TIP3 8027 81.664 22.987 61.790 1.00 0.00 WT3 H ATOM 46101 H2 TIP3 8027 82.206 21.574 61.790 1.00 0.00 WT3 H ATOM 46102 OH2 TIP3 8028 66.419 43.607 34.370 1.00 0.00 WT3 O ATOM 46103 H1 TIP3 8028 66.672 43.684 35.290 1.00 0.00 WT3 H ATOM 46104 H2 TIP3 8028 67.249 43.559 33.896 1.00 0.00 WT3 H ATOM 46105 OH2 TIP3 8029 70.261 53.951 -14.669 1.00 0.00 WT3 O ATOM 46106 H1 TIP3 8029 71.145 54.213 -14.927 1.00 0.00 WT3 H ATOM 46107 H2 TIP3 8029 70.101 53.139 -15.150 1.00 0.00 WT3 H ATOM 46108 OH2 TIP3 8030 69.870 28.690 -17.966 1.00 0.00 WT3 O ATOM 46109 H1 TIP3 8030 69.351 29.399 -17.587 1.00 0.00 WT3 H ATOM 46110 H2 TIP3 8030 70.773 28.897 -17.721 1.00 0.00 WT3 H ATOM 46111 OH2 TIP3 8032 30.494 95.845 43.691 1.00 0.00 WT3 O ATOM 46112 H1 TIP3 8032 30.394 96.435 44.438 1.00 0.00 WT3 H ATOM 46113 H2 TIP3 8032 29.661 95.375 43.643 1.00 0.00 WT3 H ATOM 46114 OH2 TIP3 8034 65.907 73.496 31.346 1.00 0.00 WT3 O ATOM 46115 H1 TIP3 8034 65.475 73.578 30.496 1.00 0.00 WT3 H ATOM 46116 H2 TIP3 8034 66.454 72.715 31.263 1.00 0.00 WT3 H ATOM 46117 OH2 TIP3 8035 40.833 92.832 20.592 1.00 0.00 WT3 O ATOM 46118 H1 TIP3 8035 41.256 92.719 21.443 1.00 0.00 WT3 H ATOM 46119 H2 TIP3 8035 40.876 91.967 20.185 1.00 0.00 WT3 H ATOM 46120 OH2 TIP3 8036 89.406 62.709 13.188 1.00 0.00 WT3 O ATOM 46121 H1 TIP3 8036 89.119 62.189 13.939 1.00 0.00 WT3 H ATOM 46122 H2 TIP3 8036 90.303 62.965 13.402 1.00 0.00 WT3 H ATOM 46123 OH2 TIP3 8037 27.874 50.560 -15.497 1.00 0.00 WT3 O ATOM 46124 H1 TIP3 8037 27.406 50.494 -16.330 1.00 0.00 WT3 H ATOM 46125 H2 TIP3 8037 28.739 50.894 -15.734 1.00 0.00 WT3 H ATOM 46126 OH2 TIP3 8038 23.337 81.048 59.142 1.00 0.00 WT3 O ATOM 46127 H1 TIP3 8038 23.289 80.749 60.050 1.00 0.00 WT3 H ATOM 46128 H2 TIP3 8038 24.268 81.215 58.994 1.00 0.00 WT3 H ATOM 46129 OH2 TIP3 8039 47.279 21.707 30.169 1.00 0.00 WT3 O ATOM 46130 H1 TIP3 8039 46.592 21.210 29.724 1.00 0.00 WT3 H ATOM 46131 H2 TIP3 8039 47.394 22.490 29.630 1.00 0.00 WT3 H ATOM 46132 OH2 TIP3 8040 85.992 61.773 51.615 1.00 0.00 WT3 O ATOM 46133 H1 TIP3 8040 86.044 62.505 52.230 1.00 0.00 WT3 H ATOM 46134 H2 TIP3 8040 86.745 61.223 51.833 1.00 0.00 WT3 H ATOM 46135 OH2 TIP3 8041 52.865 19.506 52.541 1.00 0.00 WT3 O ATOM 46136 H1 TIP3 8041 52.985 18.744 51.974 1.00 0.00 WT3 H ATOM 46137 H2 TIP3 8041 51.920 19.554 52.681 1.00 0.00 WT3 H ATOM 46138 OH2 TIP3 8042 90.133 51.523 6.467 1.00 0.00 WT3 O ATOM 46139 H1 TIP3 8042 89.961 51.961 7.300 1.00 0.00 WT3 H ATOM 46140 H2 TIP3 8042 90.885 50.958 6.643 1.00 0.00 WT3 H ATOM 46141 OH2 TIP3 8043 82.595 5.550 -5.869 1.00 0.00 WT3 O ATOM 46142 H1 TIP3 8043 81.797 5.610 -6.395 1.00 0.00 WT3 H ATOM 46143 H2 TIP3 8043 82.470 4.767 -5.332 1.00 0.00 WT3 H ATOM 46144 OH2 TIP3 8045 72.349 35.547 31.482 1.00 0.00 WT3 O ATOM 46145 H1 TIP3 8045 72.674 35.268 30.626 1.00 0.00 WT3 H ATOM 46146 H2 TIP3 8045 73.137 35.641 32.018 1.00 0.00 WT3 H ATOM 46147 OH2 TIP3 8046 60.602 86.508 0.690 1.00 0.00 WT3 O ATOM 46148 H1 TIP3 8046 61.021 87.315 0.990 1.00 0.00 WT3 H ATOM 46149 H2 TIP3 8046 59.667 86.661 0.821 1.00 0.00 WT3 H ATOM 46150 OH2 TIP3 8047 85.065 29.981 -16.226 1.00 0.00 WT3 O ATOM 46151 H1 TIP3 8047 84.837 30.855 -15.910 1.00 0.00 WT3 H ATOM 46152 H2 TIP3 8047 85.946 30.079 -16.588 1.00 0.00 WT3 H ATOM 46153 OH2 TIP3 8049 79.859 56.277 19.198 1.00 0.00 WT3 O ATOM 46154 H1 TIP3 8049 79.886 56.635 18.311 1.00 0.00 WT3 H ATOM 46155 H2 TIP3 8049 80.155 56.995 19.756 1.00 0.00 WT3 H ATOM 46156 OH2 TIP3 8051 49.949 42.079 -14.112 1.00 0.00 WT3 O ATOM 46157 H1 TIP3 8051 50.555 41.773 -13.438 1.00 0.00 WT3 H ATOM 46158 H2 TIP3 8051 49.701 41.287 -14.589 1.00 0.00 WT3 H ATOM 46159 OH2 TIP3 8052 46.609 9.773 14.153 1.00 0.00 WT3 O ATOM 46160 H1 TIP3 8052 45.853 9.909 14.724 1.00 0.00 WT3 H ATOM 46161 H2 TIP3 8052 47.245 9.315 14.702 1.00 0.00 WT3 H ATOM 46162 OH2 TIP3 8053 61.071 91.381 3.510 1.00 0.00 WT3 O ATOM 46163 H1 TIP3 8053 61.388 92.039 4.129 1.00 0.00 WT3 H ATOM 46164 H2 TIP3 8053 60.251 91.068 3.893 1.00 0.00 WT3 H ATOM 46165 OH2 TIP3 8054 50.914 76.197 44.859 1.00 0.00 WT3 O ATOM 46166 H1 TIP3 8054 51.375 75.447 45.233 1.00 0.00 WT3 H ATOM 46167 H2 TIP3 8054 50.828 75.987 43.929 1.00 0.00 WT3 H ATOM 46168 OH2 TIP3 8055 38.967 29.578 33.829 1.00 0.00 WT3 O ATOM 46169 H1 TIP3 8055 38.220 30.086 33.512 1.00 0.00 WT3 H ATOM 46170 H2 TIP3 8055 39.455 29.352 33.037 1.00 0.00 WT3 H ATOM 46171 OH2 TIP3 8056 82.665 74.893 -5.969 1.00 0.00 WT3 O ATOM 46172 H1 TIP3 8056 83.123 75.460 -5.348 1.00 0.00 WT3 H ATOM 46173 H2 TIP3 8056 82.497 74.087 -5.481 1.00 0.00 WT3 H ATOM 46174 OH2 TIP3 8057 37.706 85.472 -8.509 1.00 0.00 WT3 O ATOM 46175 H1 TIP3 8057 38.245 85.190 -7.770 1.00 0.00 WT3 H ATOM 46176 H2 TIP3 8057 37.618 84.690 -9.054 1.00 0.00 WT3 H ATOM 46177 OH2 TIP3 8058 71.302 0.704 14.208 1.00 0.00 WT3 O ATOM 46178 H1 TIP3 8058 71.869 0.199 13.624 1.00 0.00 WT3 H ATOM 46179 H2 TIP3 8058 71.051 0.085 14.893 1.00 0.00 WT3 H ATOM 46180 OH2 TIP3 8059 44.004 83.436 43.775 1.00 0.00 WT3 O ATOM 46181 H1 TIP3 8059 43.503 83.050 44.493 1.00 0.00 WT3 H ATOM 46182 H2 TIP3 8059 44.427 82.689 43.350 1.00 0.00 WT3 H ATOM 46183 OH2 TIP3 8060 83.004 61.837 52.437 1.00 0.00 WT3 O ATOM 46184 H1 TIP3 8060 83.914 62.081 52.605 1.00 0.00 WT3 H ATOM 46185 H2 TIP3 8060 82.644 61.642 53.302 1.00 0.00 WT3 H ATOM 46186 OH2 TIP3 8061 54.777 23.458 -5.190 1.00 0.00 WT3 O ATOM 46187 H1 TIP3 8061 55.073 22.818 -5.838 1.00 0.00 WT3 H ATOM 46188 H2 TIP3 8061 53.952 23.103 -4.861 1.00 0.00 WT3 H ATOM 46189 OH2 TIP3 8062 49.010 68.359 57.931 1.00 0.00 WT3 O ATOM 46190 H1 TIP3 8062 49.130 68.862 58.737 1.00 0.00 WT3 H ATOM 46191 H2 TIP3 8062 49.390 68.909 57.246 1.00 0.00 WT3 H ATOM 46192 OH2 TIP3 8063 87.033 24.031 55.781 1.00 0.00 WT3 O ATOM 46193 H1 TIP3 8063 87.547 24.710 56.218 1.00 0.00 WT3 H ATOM 46194 H2 TIP3 8063 86.127 24.332 55.853 1.00 0.00 WT3 H ATOM 46195 OH2 TIP3 8064 82.834 58.471 0.255 1.00 0.00 WT3 O ATOM 46196 H1 TIP3 8064 82.214 57.851 0.640 1.00 0.00 WT3 H ATOM 46197 H2 TIP3 8064 82.710 59.277 0.756 1.00 0.00 WT3 H ATOM 46198 OH2 TIP3 8065 36.742 21.011 21.871 1.00 0.00 WT3 O ATOM 46199 H1 TIP3 8065 36.965 21.184 20.956 1.00 0.00 WT3 H ATOM 46200 H2 TIP3 8065 36.779 20.058 21.951 1.00 0.00 WT3 H ATOM 46201 OH2 TIP3 8066 70.285 62.764 43.581 1.00 0.00 WT3 O ATOM 46202 H1 TIP3 8066 70.269 63.051 44.494 1.00 0.00 WT3 H ATOM 46203 H2 TIP3 8066 69.442 62.329 43.452 1.00 0.00 WT3 H ATOM 46204 OH2 TIP3 8067 24.286 55.078 -5.833 1.00 0.00 WT3 O ATOM 46205 H1 TIP3 8067 24.042 54.310 -5.317 1.00 0.00 WT3 H ATOM 46206 H2 TIP3 8067 23.487 55.603 -5.875 1.00 0.00 WT3 H ATOM 46207 OH2 TIP3 8068 67.083 93.014 2.870 1.00 0.00 WT3 O ATOM 46208 H1 TIP3 8068 66.865 92.419 2.153 1.00 0.00 WT3 H ATOM 46209 H2 TIP3 8068 66.501 93.763 2.746 1.00 0.00 WT3 H ATOM 46210 OH2 TIP3 8069 76.420 30.194 66.699 1.00 0.00 WT3 O ATOM 46211 H1 TIP3 8069 76.262 29.373 66.232 1.00 0.00 WT3 H ATOM 46212 H2 TIP3 8069 76.939 30.720 66.090 1.00 0.00 WT3 H ATOM 46213 OH2 TIP3 8070 55.407 31.828 7.013 1.00 0.00 WT3 O ATOM 46214 H1 TIP3 8070 55.337 31.020 7.523 1.00 0.00 WT3 H ATOM 46215 H2 TIP3 8070 56.027 32.368 7.504 1.00 0.00 WT3 H ATOM 46216 OH2 TIP3 8071 87.521 74.587 41.771 1.00 0.00 WT3 O ATOM 46217 H1 TIP3 8071 87.875 75.463 41.617 1.00 0.00 WT3 H ATOM 46218 H2 TIP3 8071 87.834 74.069 41.030 1.00 0.00 WT3 H ATOM 46219 OH2 TIP3 8073 80.351 62.099 -16.581 1.00 0.00 WT3 O ATOM 46220 H1 TIP3 8073 80.522 63.038 -16.516 1.00 0.00 WT3 H ATOM 46221 H2 TIP3 8073 81.001 61.780 -17.207 1.00 0.00 WT3 H ATOM 46222 OH2 TIP3 8074 37.680 21.191 65.015 1.00 0.00 WT3 O ATOM 46223 H1 TIP3 8074 37.571 21.653 65.846 1.00 0.00 WT3 H ATOM 46224 H2 TIP3 8074 38.193 21.790 64.473 1.00 0.00 WT3 H ATOM 46225 OH2 TIP3 8075 36.707 12.853 24.453 1.00 0.00 WT3 O ATOM 46226 H1 TIP3 8075 37.538 12.931 24.922 1.00 0.00 WT3 H ATOM 46227 H2 TIP3 8075 36.720 13.571 23.820 1.00 0.00 WT3 H ATOM 46228 OH2 TIP3 8076 61.570 71.749 -14.266 1.00 0.00 WT3 O ATOM 46229 H1 TIP3 8076 60.659 71.635 -14.536 1.00 0.00 WT3 H ATOM 46230 H2 TIP3 8076 61.519 71.989 -13.341 1.00 0.00 WT3 H ATOM 46231 OH2 TIP3 8077 67.252 2.506 22.066 1.00 0.00 WT3 O ATOM 46232 H1 TIP3 8077 66.474 3.061 22.112 1.00 0.00 WT3 H ATOM 46233 H2 TIP3 8077 67.307 2.098 22.930 1.00 0.00 WT3 H ATOM 46234 OH2 TIP3 8079 78.174 25.630 5.668 1.00 0.00 WT3 O ATOM 46235 H1 TIP3 8079 78.058 25.143 6.483 1.00 0.00 WT3 H ATOM 46236 H2 TIP3 8079 77.516 26.324 5.707 1.00 0.00 WT3 H ATOM 46237 OH2 TIP3 8080 69.062 1.810 15.652 1.00 0.00 WT3 O ATOM 46238 H1 TIP3 8080 69.880 1.681 15.172 1.00 0.00 WT3 H ATOM 46239 H2 TIP3 8080 68.859 2.738 15.534 1.00 0.00 WT3 H ATOM 46240 OH2 TIP3 8081 75.057 69.158 -17.345 1.00 0.00 WT3 O ATOM 46241 H1 TIP3 8081 75.496 68.310 -17.283 1.00 0.00 WT3 H ATOM 46242 H2 TIP3 8081 75.240 69.584 -16.507 1.00 0.00 WT3 H ATOM 46243 OH2 TIP3 8082 65.611 5.826 25.776 1.00 0.00 WT3 O ATOM 46244 H1 TIP3 8082 64.673 5.698 25.920 1.00 0.00 WT3 H ATOM 46245 H2 TIP3 8082 65.987 4.950 25.854 1.00 0.00 WT3 H ATOM 46246 OH2 TIP3 8083 37.507 88.709 29.242 1.00 0.00 WT3 O ATOM 46247 H1 TIP3 8083 36.838 88.127 28.879 1.00 0.00 WT3 H ATOM 46248 H2 TIP3 8083 38.309 88.473 28.775 1.00 0.00 WT3 H ATOM 46249 OH2 TIP3 8084 70.377 22.970 3.109 1.00 0.00 WT3 O ATOM 46250 H1 TIP3 8084 70.957 23.388 2.473 1.00 0.00 WT3 H ATOM 46251 H2 TIP3 8084 69.751 23.653 3.348 1.00 0.00 WT3 H ATOM 46252 OH2 TIP3 8085 42.494 2.373 60.540 1.00 0.00 WT3 O ATOM 46253 H1 TIP3 8085 41.718 2.774 60.931 1.00 0.00 WT3 H ATOM 46254 H2 TIP3 8085 42.196 2.049 59.690 1.00 0.00 WT3 H ATOM 46255 OH2 TIP3 8086 47.157 79.832 -11.833 1.00 0.00 WT3 O ATOM 46256 H1 TIP3 8086 46.376 79.535 -12.300 1.00 0.00 WT3 H ATOM 46257 H2 TIP3 8086 47.691 79.044 -11.733 1.00 0.00 WT3 H ATOM 46258 OH2 TIP3 8087 82.894 65.383 -8.521 1.00 0.00 WT3 O ATOM 46259 H1 TIP3 8087 82.133 65.639 -8.000 1.00 0.00 WT3 H ATOM 46260 H2 TIP3 8087 83.502 65.002 -7.887 1.00 0.00 WT3 H ATOM 46261 OH2 TIP3 8088 63.648 14.079 3.491 1.00 0.00 WT3 O ATOM 46262 H1 TIP3 8088 63.037 13.684 4.113 1.00 0.00 WT3 H ATOM 46263 H2 TIP3 8088 63.378 14.996 3.441 1.00 0.00 WT3 H ATOM 46264 OH2 TIP3 8089 69.301 84.902 39.902 1.00 0.00 WT3 O ATOM 46265 H1 TIP3 8089 69.734 84.049 39.939 1.00 0.00 WT3 H ATOM 46266 H2 TIP3 8089 68.387 84.716 40.117 1.00 0.00 WT3 H ATOM 46267 OH2 TIP3 8090 59.494 58.717 45.707 1.00 0.00 WT3 O ATOM 46268 H1 TIP3 8090 59.137 58.464 46.558 1.00 0.00 WT3 H ATOM 46269 H2 TIP3 8090 58.845 58.411 45.073 1.00 0.00 WT3 H ATOM 46270 OH2 TIP3 8091 78.974 49.951 66.789 1.00 0.00 WT3 O ATOM 46271 H1 TIP3 8091 78.673 49.450 67.546 1.00 0.00 WT3 H ATOM 46272 H2 TIP3 8091 79.620 49.384 66.367 1.00 0.00 WT3 H ATOM 46273 OH2 TIP3 8092 29.867 60.441 63.219 1.00 0.00 WT3 O ATOM 46274 H1 TIP3 8092 29.967 60.891 62.381 1.00 0.00 WT3 H ATOM 46275 H2 TIP3 8092 30.169 59.548 63.051 1.00 0.00 WT3 H ATOM 46276 OH2 TIP3 8093 45.207 35.534 -18.767 1.00 0.00 WT3 O ATOM 46277 H1 TIP3 8093 45.819 34.802 -18.842 1.00 0.00 WT3 H ATOM 46278 H2 TIP3 8093 45.764 36.302 -18.642 1.00 0.00 WT3 H ATOM 46279 OH2 TIP3 8094 77.745 59.025 37.769 1.00 0.00 WT3 O ATOM 46280 H1 TIP3 8094 76.809 59.186 37.646 1.00 0.00 WT3 H ATOM 46281 H2 TIP3 8094 78.061 58.771 36.902 1.00 0.00 WT3 H ATOM 46282 OH2 TIP3 8095 68.717 33.254 33.256 1.00 0.00 WT3 O ATOM 46283 H1 TIP3 8095 69.446 33.847 33.433 1.00 0.00 WT3 H ATOM 46284 H2 TIP3 8095 68.101 33.777 32.743 1.00 0.00 WT3 H ATOM 46285 OH2 TIP3 8096 33.627 79.708 31.446 1.00 0.00 WT3 O ATOM 46286 H1 TIP3 8096 33.815 79.753 30.508 1.00 0.00 WT3 H ATOM 46287 H2 TIP3 8096 33.874 78.819 31.698 1.00 0.00 WT3 H ATOM 46288 OH2 TIP3 8097 77.769 71.567 61.286 1.00 0.00 WT3 O ATOM 46289 H1 TIP3 8097 77.036 71.891 61.808 1.00 0.00 WT3 H ATOM 46290 H2 TIP3 8097 78.546 71.786 61.800 1.00 0.00 WT3 H ATOM 46291 OH2 TIP3 8099 26.784 8.591 44.234 1.00 0.00 WT3 O ATOM 46292 H1 TIP3 8099 26.621 8.282 43.343 1.00 0.00 WT3 H ATOM 46293 H2 TIP3 8099 26.438 9.483 44.245 1.00 0.00 WT3 H ATOM 46294 OH2 TIP3 8100 77.437 79.927 49.229 1.00 0.00 WT3 O ATOM 46295 H1 TIP3 8100 76.630 80.150 49.693 1.00 0.00 WT3 H ATOM 46296 H2 TIP3 8100 77.883 79.309 49.807 1.00 0.00 WT3 H ATOM 46297 OH2 TIP3 8101 57.836 19.894 22.098 1.00 0.00 WT3 O ATOM 46298 H1 TIP3 8101 57.681 19.668 23.015 1.00 0.00 WT3 H ATOM 46299 H2 TIP3 8101 57.588 20.816 22.032 1.00 0.00 WT3 H ATOM 46300 OH2 TIP3 8102 29.447 84.181 24.878 1.00 0.00 WT3 O ATOM 46301 H1 TIP3 8102 29.635 83.244 24.824 1.00 0.00 WT3 H ATOM 46302 H2 TIP3 8102 30.007 84.498 25.586 1.00 0.00 WT3 H ATOM 46303 OH2 TIP3 8103 37.521 30.116 -0.836 1.00 0.00 WT3 O ATOM 46304 H1 TIP3 8103 36.778 29.668 -0.432 1.00 0.00 WT3 H ATOM 46305 H2 TIP3 8103 38.183 30.152 -0.146 1.00 0.00 WT3 H ATOM 46306 OH2 TIP3 8104 44.126 74.862 9.502 1.00 0.00 WT3 O ATOM 46307 H1 TIP3 8104 44.653 74.822 8.704 1.00 0.00 WT3 H ATOM 46308 H2 TIP3 8104 44.006 73.947 9.756 1.00 0.00 WT3 H ATOM 46309 OH2 TIP3 8105 78.568 48.862 -1.808 1.00 0.00 WT3 O ATOM 46310 H1 TIP3 8105 78.868 49.770 -1.860 1.00 0.00 WT3 H ATOM 46311 H2 TIP3 8105 77.616 48.927 -1.745 1.00 0.00 WT3 H ATOM 46312 OH2 TIP3 8106 74.155 76.778 2.268 1.00 0.00 WT3 O ATOM 46313 H1 TIP3 8106 73.760 76.115 2.834 1.00 0.00 WT3 H ATOM 46314 H2 TIP3 8106 74.639 76.276 1.612 1.00 0.00 WT3 H ATOM 46315 OH2 TIP3 8107 89.008 31.543 0.071 1.00 0.00 WT3 O ATOM 46316 H1 TIP3 8107 89.346 31.652 0.960 1.00 0.00 WT3 H ATOM 46317 H2 TIP3 8107 89.759 31.723 -0.494 1.00 0.00 WT3 H ATOM 46318 OH2 TIP3 8108 74.241 79.973 66.432 1.00 0.00 WT3 O ATOM 46319 H1 TIP3 8108 73.601 79.511 65.890 1.00 0.00 WT3 H ATOM 46320 H2 TIP3 8108 75.079 79.825 65.993 1.00 0.00 WT3 H ATOM 46321 OH2 TIP3 8109 80.206 27.615 11.175 1.00 0.00 WT3 O ATOM 46322 H1 TIP3 8109 80.545 26.949 10.577 1.00 0.00 WT3 H ATOM 46323 H2 TIP3 8109 79.581 27.145 11.728 1.00 0.00 WT3 H ATOM 46324 OH2 TIP3 8110 21.406 50.218 -19.061 1.00 0.00 WT3 O ATOM 46325 H1 TIP3 8110 20.690 50.362 -19.680 1.00 0.00 WT3 H ATOM 46326 H2 TIP3 8110 21.773 49.370 -19.311 1.00 0.00 WT3 H ATOM 46327 OH2 TIP3 8111 61.923 80.950 10.338 1.00 0.00 WT3 O ATOM 46328 H1 TIP3 8111 62.766 80.637 10.666 1.00 0.00 WT3 H ATOM 46329 H2 TIP3 8111 61.385 81.058 11.122 1.00 0.00 WT3 H ATOM 46330 OH2 TIP3 8112 29.079 70.602 52.740 1.00 0.00 WT3 O ATOM 46331 H1 TIP3 8112 28.764 69.961 52.102 1.00 0.00 WT3 H ATOM 46332 H2 TIP3 8112 29.519 70.078 53.410 1.00 0.00 WT3 H ATOM 46333 OH2 TIP3 8113 87.511 66.276 28.192 1.00 0.00 WT3 O ATOM 46334 H1 TIP3 8113 87.178 67.083 28.585 1.00 0.00 WT3 H ATOM 46335 H2 TIP3 8113 86.984 65.582 28.588 1.00 0.00 WT3 H ATOM 46336 OH2 TIP3 8114 81.540 5.282 3.368 1.00 0.00 WT3 O ATOM 46337 H1 TIP3 8114 80.781 5.376 2.793 1.00 0.00 WT3 H ATOM 46338 H2 TIP3 8114 81.724 4.343 3.371 1.00 0.00 WT3 H ATOM 46339 OH2 TIP3 8116 40.802 95.093 -11.205 1.00 0.00 WT3 O ATOM 46340 H1 TIP3 8116 41.140 94.254 -10.892 1.00 0.00 WT3 H ATOM 46341 H2 TIP3 8116 41.579 95.645 -11.296 1.00 0.00 WT3 H ATOM 46342 OH2 TIP3 8117 72.290 79.969 21.363 1.00 0.00 WT3 O ATOM 46343 H1 TIP3 8117 72.673 80.005 22.239 1.00 0.00 WT3 H ATOM 46344 H2 TIP3 8117 71.517 80.531 21.415 1.00 0.00 WT3 H ATOM 46345 OH2 TIP3 8118 82.805 92.691 27.959 1.00 0.00 WT3 O ATOM 46346 H1 TIP3 8118 83.484 92.018 27.916 1.00 0.00 WT3 H ATOM 46347 H2 TIP3 8118 82.172 92.438 27.286 1.00 0.00 WT3 H ATOM 46348 OH2 TIP3 8121 54.170 80.397 19.951 1.00 0.00 WT3 O ATOM 46349 H1 TIP3 8121 54.752 79.638 19.925 1.00 0.00 WT3 H ATOM 46350 H2 TIP3 8121 54.275 80.750 20.835 1.00 0.00 WT3 H ATOM 46351 OH2 TIP3 8122 50.260 0.488 16.800 1.00 0.00 WT3 O ATOM 46352 H1 TIP3 8122 50.794 0.958 17.441 1.00 0.00 WT3 H ATOM 46353 H2 TIP3 8122 50.881 0.218 16.123 1.00 0.00 WT3 H ATOM 46354 OH2 TIP3 8123 85.781 67.874 53.237 1.00 0.00 WT3 O ATOM 46355 H1 TIP3 8123 86.406 67.817 53.960 1.00 0.00 WT3 H ATOM 46356 H2 TIP3 8123 86.319 67.805 52.449 1.00 0.00 WT3 H ATOM 46357 OH2 TIP3 8128 28.733 65.693 8.345 1.00 0.00 WT3 O ATOM 46358 H1 TIP3 8128 28.848 65.354 9.233 1.00 0.00 WT3 H ATOM 46359 H2 TIP3 8128 27.948 65.253 8.019 1.00 0.00 WT3 H ATOM 46360 OH2 TIP3 8129 74.684 81.500 42.828 1.00 0.00 WT3 O ATOM 46361 H1 TIP3 8129 74.406 80.999 42.061 1.00 0.00 WT3 H ATOM 46362 H2 TIP3 8129 74.961 80.837 43.460 1.00 0.00 WT3 H ATOM 46363 OH2 TIP3 8133 35.613 78.399 10.340 1.00 0.00 WT3 O ATOM 46364 H1 TIP3 8133 35.881 77.629 10.841 1.00 0.00 WT3 H ATOM 46365 H2 TIP3 8133 36.391 78.957 10.323 1.00 0.00 WT3 H ATOM 46366 OH2 TIP3 8135 78.846 95.286 -15.095 1.00 0.00 WT3 O ATOM 46367 H1 TIP3 8135 78.363 96.112 -15.051 1.00 0.00 WT3 H ATOM 46368 H2 TIP3 8135 79.532 95.443 -15.743 1.00 0.00 WT3 H ATOM 46369 OH2 TIP3 8137 57.903 64.432 21.872 1.00 0.00 WT3 O ATOM 46370 H1 TIP3 8137 57.302 64.167 21.175 1.00 0.00 WT3 H ATOM 46371 H2 TIP3 8137 58.549 64.986 21.434 1.00 0.00 WT3 H ATOM 46372 OH2 TIP3 8138 89.368 72.103 2.462 1.00 0.00 WT3 O ATOM 46373 H1 TIP3 8138 89.821 71.420 1.967 1.00 0.00 WT3 H ATOM 46374 H2 TIP3 8138 88.634 72.358 1.903 1.00 0.00 WT3 H ATOM 46375 OH2 TIP3 8142 66.942 45.434 0.591 1.00 0.00 WT3 O ATOM 46376 H1 TIP3 8142 67.301 44.830 1.240 1.00 0.00 WT3 H ATOM 46377 H2 TIP3 8142 67.114 46.304 0.951 1.00 0.00 WT3 H ATOM 46378 OH2 TIP3 8143 84.159 88.821 42.775 1.00 0.00 WT3 O ATOM 46379 H1 TIP3 8143 85.098 88.634 42.808 1.00 0.00 WT3 H ATOM 46380 H2 TIP3 8143 83.799 88.143 42.203 1.00 0.00 WT3 H ATOM 46381 OH2 TIP3 8146 73.082 56.074 -3.003 1.00 0.00 WT3 O ATOM 46382 H1 TIP3 8146 73.016 55.548 -3.799 1.00 0.00 WT3 H ATOM 46383 H2 TIP3 8146 73.972 55.920 -2.686 1.00 0.00 WT3 H ATOM 46384 OH2 TIP3 8147 89.936 22.381 65.465 1.00 0.00 WT3 O ATOM 46385 H1 TIP3 8147 90.377 21.809 66.094 1.00 0.00 WT3 H ATOM 46386 H2 TIP3 8147 89.021 22.385 65.745 1.00 0.00 WT3 H ATOM 46387 OH2 TIP3 8150 89.775 34.707 8.808 1.00 0.00 WT3 O ATOM 46388 H1 TIP3 8150 89.770 35.076 7.925 1.00 0.00 WT3 H ATOM 46389 H2 TIP3 8150 90.497 34.078 8.801 1.00 0.00 WT3 H ATOM 46390 OH2 TIP3 8154 45.750 90.451 21.694 1.00 0.00 WT3 O ATOM 46391 H1 TIP3 8154 44.829 90.227 21.563 1.00 0.00 WT3 H ATOM 46392 H2 TIP3 8154 46.231 89.696 21.355 1.00 0.00 WT3 H ATOM 46393 OH2 TIP3 8155 30.023 57.805 8.649 1.00 0.00 WT3 O ATOM 46394 H1 TIP3 8155 30.383 58.515 8.117 1.00 0.00 WT3 H ATOM 46395 H2 TIP3 8155 30.369 57.964 9.527 1.00 0.00 WT3 H ATOM 46396 OH2 TIP3 8158 82.425 0.945 60.186 1.00 0.00 WT3 O ATOM 46397 H1 TIP3 8158 82.041 1.611 60.757 1.00 0.00 WT3 H ATOM 46398 H2 TIP3 8158 83.282 0.764 60.571 1.00 0.00 WT3 H ATOM 46399 OH2 TIP3 8159 61.037 78.703 -3.134 1.00 0.00 WT3 O ATOM 46400 H1 TIP3 8159 60.125 78.414 -3.158 1.00 0.00 WT3 H ATOM 46401 H2 TIP3 8159 61.283 78.646 -2.211 1.00 0.00 WT3 H ATOM 46402 OH2 TIP3 8170 34.528 69.805 35.263 1.00 0.00 WT3 O ATOM 46403 H1 TIP3 8170 35.178 70.497 35.139 1.00 0.00 WT3 H ATOM 46404 H2 TIP3 8170 34.982 69.139 35.778 1.00 0.00 WT3 H ATOM 46405 OH2 TIP3 8174 86.953 40.676 -11.327 1.00 0.00 WT3 O ATOM 46406 H1 TIP3 8174 87.318 40.134 -12.027 1.00 0.00 WT3 H ATOM 46407 H2 TIP3 8174 86.135 41.017 -11.690 1.00 0.00 WT3 H ATOM 46408 OH2 TIP3 8178 84.613 41.252 36.476 1.00 0.00 WT3 O ATOM 46409 H1 TIP3 8178 85.202 41.685 37.094 1.00 0.00 WT3 H ATOM 46410 H2 TIP3 8178 85.195 40.777 35.883 1.00 0.00 WT3 H ATOM 46411 OH2 TIP3 8180 48.647 87.853 6.073 1.00 0.00 WT3 O ATOM 46412 H1 TIP3 8180 48.564 87.242 6.805 1.00 0.00 WT3 H ATOM 46413 H2 TIP3 8180 49.166 88.577 6.422 1.00 0.00 WT3 H ATOM 46414 OH2 TIP3 8183 86.473 56.258 36.061 1.00 0.00 WT3 O ATOM 46415 H1 TIP3 8183 86.329 55.570 36.710 1.00 0.00 WT3 H ATOM 46416 H2 TIP3 8183 87.162 55.912 35.493 1.00 0.00 WT3 H ATOM 46417 OH2 TIP3 8185 90.194 83.439 18.017 1.00 0.00 WT3 O ATOM 46418 H1 TIP3 8185 91.136 83.606 18.047 1.00 0.00 WT3 H ATOM 46419 H2 TIP3 8185 89.960 83.224 18.920 1.00 0.00 WT3 H ATOM 46420 OH2 TIP3 8201 30.480 22.782 34.161 1.00 0.00 WT3 O ATOM 46421 H1 TIP3 8201 30.448 23.326 33.374 1.00 0.00 WT3 H ATOM 46422 H2 TIP3 8201 29.582 22.470 34.273 1.00 0.00 WT3 H ATOM 46423 OH2 TIP3 8202 51.287 79.617 65.696 1.00 0.00 WT3 O ATOM 46424 H1 TIP3 8202 51.033 80.313 66.302 1.00 0.00 WT3 H ATOM 46425 H2 TIP3 8202 51.821 79.023 66.223 1.00 0.00 WT3 H ATOM 46426 OH2 TIP3 8206 49.917 77.454 29.383 1.00 0.00 WT3 O ATOM 46427 H1 TIP3 8206 49.672 76.728 28.809 1.00 0.00 WT3 H ATOM 46428 H2 TIP3 8206 50.641 77.112 29.907 1.00 0.00 WT3 H ATOM 46429 OH2 TIP3 8219 26.292 27.263 41.241 1.00 0.00 WT3 O ATOM 46430 H1 TIP3 8219 25.834 27.729 41.940 1.00 0.00 WT3 H ATOM 46431 H2 TIP3 8219 26.041 27.724 40.441 1.00 0.00 WT3 H ATOM 46432 OH2 TIP3 8228 86.360 53.476 -0.582 1.00 0.00 WT3 O ATOM 46433 H1 TIP3 8228 86.104 52.555 -0.626 1.00 0.00 WT3 H ATOM 46434 H2 TIP3 8228 85.906 53.815 0.189 1.00 0.00 WT3 H ATOM 46435 OH2 TIP3 8267 25.603 67.018 -1.730 1.00 0.00 WT3 O ATOM 46436 H1 TIP3 8267 24.678 66.980 -1.973 1.00 0.00 WT3 H ATOM 46437 H2 TIP3 8267 25.622 66.744 -0.813 1.00 0.00 WT3 H ATOM 46438 OH2 TIP3 8270 30.708 73.537 -10.540 1.00 0.00 WT3 O ATOM 46439 H1 TIP3 8270 29.916 73.800 -10.072 1.00 0.00 WT3 H ATOM 46440 H2 TIP3 8270 30.569 72.613 -10.747 1.00 0.00 WT3 H ATOM 46441 OH2 TIP3 8290 90.501 40.341 40.274 1.00 0.00 WT3 O ATOM 46442 H1 TIP3 8290 89.572 40.114 40.319 1.00 0.00 WT3 H ATOM 46443 H2 TIP3 8290 90.642 40.592 39.362 1.00 0.00 WT3 H ATOM 46444 OH2 TIP3 8304 63.819 82.794 -8.012 1.00 0.00 WT3 O ATOM 46445 H1 TIP3 8304 64.402 82.487 -8.706 1.00 0.00 WT3 H ATOM 46446 H2 TIP3 8304 63.692 83.724 -8.199 1.00 0.00 WT3 H ATOM 46447 OH2 TIP3 8309 64.864 64.656 41.834 1.00 0.00 WT3 O ATOM 46448 H1 TIP3 8309 64.037 64.339 41.471 1.00 0.00 WT3 H ATOM 46449 H2 TIP3 8309 65.523 64.403 41.188 1.00 0.00 WT3 H ATOM 46450 OH2 TIP3 8319 50.217 81.498 44.278 1.00 0.00 WT3 O ATOM 46451 H1 TIP3 8319 49.968 81.115 45.119 1.00 0.00 WT3 H ATOM 46452 H2 TIP3 8319 50.486 80.751 43.744 1.00 0.00 WT3 H ATOM 46453 OH2 TIP3 8322 27.702 56.336 19.758 1.00 0.00 WT3 O ATOM 46454 H1 TIP3 8322 28.562 56.495 20.148 1.00 0.00 WT3 H ATOM 46455 H2 TIP3 8322 27.093 56.821 20.315 1.00 0.00 WT3 H ATOM 46456 OH2 TIP3 8324 70.192 89.645 13.414 1.00 0.00 WT3 O ATOM 46457 H1 TIP3 8324 70.017 89.831 14.337 1.00 0.00 WT3 H ATOM 46458 H2 TIP3 8324 69.964 90.456 12.959 1.00 0.00 WT3 H ATOM 46459 OH2 TIP3 8327 66.177 10.824 56.830 1.00 0.00 WT3 O ATOM 46460 H1 TIP3 8327 66.123 10.704 57.778 1.00 0.00 WT3 H ATOM 46461 H2 TIP3 8327 65.354 11.254 56.595 1.00 0.00 WT3 H ATOM 46462 OH2 TIP3 8339 65.483 21.629 52.352 1.00 0.00 WT3 O ATOM 46463 H1 TIP3 8339 64.852 22.349 52.318 1.00 0.00 WT3 H ATOM 46464 H2 TIP3 8339 66.083 21.802 51.627 1.00 0.00 WT3 H ATOM 46465 OH2 TIP3 8345 22.998 74.724 8.797 1.00 0.00 WT3 O ATOM 46466 H1 TIP3 8345 22.295 75.362 8.918 1.00 0.00 WT3 H ATOM 46467 H2 TIP3 8345 23.803 75.223 8.940 1.00 0.00 WT3 H ATOM 46468 OH2 TIP3 8348 89.372 71.867 19.633 1.00 0.00 WT3 O ATOM 46469 H1 TIP3 8348 89.147 70.958 19.828 1.00 0.00 WT3 H ATOM 46470 H2 TIP3 8348 88.595 72.219 19.199 1.00 0.00 WT3 H ATOM 46471 OH2 TIP3 8349 38.086 54.676 14.233 1.00 0.00 WT3 O ATOM 46472 H1 TIP3 8349 38.721 55.267 14.638 1.00 0.00 WT3 H ATOM 46473 H2 TIP3 8349 38.233 53.834 14.662 1.00 0.00 WT3 H ATOM 46474 OH2 TIP3 8354 26.634 67.799 9.100 1.00 0.00 WT3 O ATOM 46475 H1 TIP3 8354 27.379 67.643 8.520 1.00 0.00 WT3 H ATOM 46476 H2 TIP3 8354 26.519 68.749 9.093 1.00 0.00 WT3 H ATOM 46477 OH2 TIP3 8355 83.495 78.601 65.033 1.00 0.00 WT3 O ATOM 46478 H1 TIP3 8355 84.257 79.103 64.745 1.00 0.00 WT3 H ATOM 46479 H2 TIP3 8355 83.303 78.938 65.908 1.00 0.00 WT3 H ATOM 46480 OH2 TIP3 8359 51.946 39.084 30.318 1.00 0.00 WT3 O ATOM 46481 H1 TIP3 8359 52.613 38.917 29.652 1.00 0.00 WT3 H ATOM 46482 H2 TIP3 8359 51.175 39.357 29.822 1.00 0.00 WT3 H ATOM 46483 OH2 TIP3 8360 64.783 73.288 62.100 1.00 0.00 WT3 O ATOM 46484 H1 TIP3 8360 65.710 73.360 62.329 1.00 0.00 WT3 H ATOM 46485 H2 TIP3 8360 64.737 73.586 61.192 1.00 0.00 WT3 H ATOM 46486 OH2 TIP3 8364 37.321 57.751 -9.973 1.00 0.00 WT3 O ATOM 46487 H1 TIP3 8364 37.379 58.127 -10.851 1.00 0.00 WT3 H ATOM 46488 H2 TIP3 8364 36.475 58.051 -9.639 1.00 0.00 WT3 H ATOM 46489 OH2 TIP3 8365 89.312 77.558 16.838 1.00 0.00 WT3 O ATOM 46490 H1 TIP3 8365 89.092 78.271 17.437 1.00 0.00 WT3 H ATOM 46491 H2 TIP3 8365 89.836 76.955 17.364 1.00 0.00 WT3 H ATOM 46492 OH2 TIP3 8369 32.273 41.156 54.419 1.00 0.00 WT3 O ATOM 46493 H1 TIP3 8369 32.911 40.733 53.845 1.00 0.00 WT3 H ATOM 46494 H2 TIP3 8369 32.670 41.999 54.639 1.00 0.00 WT3 H ATOM 46495 OH2 TIP3 8370 70.962 4.366 15.661 1.00 0.00 WT3 O ATOM 46496 H1 TIP3 8370 70.864 4.664 16.566 1.00 0.00 WT3 H ATOM 46497 H2 TIP3 8370 71.860 4.039 15.612 1.00 0.00 WT3 H ATOM 46498 OH2 TIP3 8372 26.948 19.274 46.704 1.00 0.00 WT3 O ATOM 46499 H1 TIP3 8372 26.463 19.676 45.983 1.00 0.00 WT3 H ATOM 46500 H2 TIP3 8372 27.695 19.856 46.844 1.00 0.00 WT3 H ATOM 46501 OH2 TIP3 8375 26.275 79.400 59.485 1.00 0.00 WT3 O ATOM 46502 H1 TIP3 8375 25.752 78.630 59.261 1.00 0.00 WT3 H ATOM 46503 H2 TIP3 8375 26.668 79.672 58.656 1.00 0.00 WT3 H ATOM 46504 OH2 TIP3 8376 79.989 66.944 15.612 1.00 0.00 WT3 O ATOM 46505 H1 TIP3 8376 79.152 66.537 15.838 1.00 0.00 WT3 H ATOM 46506 H2 TIP3 8376 80.052 66.851 14.662 1.00 0.00 WT3 H ATOM 46507 OH2 TIP3 8377 64.933 16.290 54.365 1.00 0.00 WT3 O ATOM 46508 H1 TIP3 8377 65.319 16.432 53.501 1.00 0.00 WT3 H ATOM 46509 H2 TIP3 8377 64.848 15.340 54.437 1.00 0.00 WT3 H ATOM 46510 OH2 TIP3 8378 69.261 44.414 -8.836 1.00 0.00 WT3 O ATOM 46511 H1 TIP3 8378 68.790 45.004 -8.247 1.00 0.00 WT3 H ATOM 46512 H2 TIP3 8378 69.048 43.537 -8.518 1.00 0.00 WT3 H ATOM 46513 OH2 TIP3 8381 69.404 67.647 12.882 1.00 0.00 WT3 O ATOM 46514 H1 TIP3 8381 68.542 67.538 12.481 1.00 0.00 WT3 H ATOM 46515 H2 TIP3 8381 69.696 66.755 13.071 1.00 0.00 WT3 H ATOM 46516 OH2 TIP3 8382 30.770 78.136 53.992 1.00 0.00 WT3 O ATOM 46517 H1 TIP3 8382 31.533 77.880 53.474 1.00 0.00 WT3 H ATOM 46518 H2 TIP3 8382 30.468 78.949 53.588 1.00 0.00 WT3 H ATOM 46519 OH2 TIP3 8384 36.554 52.525 17.512 1.00 0.00 WT3 O ATOM 46520 H1 TIP3 8384 37.418 52.236 17.804 1.00 0.00 WT3 H ATOM 46521 H2 TIP3 8384 36.481 53.424 17.832 1.00 0.00 WT3 H ATOM 46522 OH2 TIP3 8386 31.897 7.905 -12.522 1.00 0.00 WT3 O ATOM 46523 H1 TIP3 8386 31.831 6.996 -12.816 1.00 0.00 WT3 H ATOM 46524 H2 TIP3 8386 32.312 8.364 -13.253 1.00 0.00 WT3 H ATOM 46525 OH2 TIP3 8388 53.165 89.074 -2.048 1.00 0.00 WT3 O ATOM 46526 H1 TIP3 8388 52.891 88.417 -2.689 1.00 0.00 WT3 H ATOM 46527 H2 TIP3 8388 54.053 88.813 -1.802 1.00 0.00 WT3 H ATOM 46528 OH2 TIP3 8389 89.437 66.916 40.759 1.00 0.00 WT3 O ATOM 46529 H1 TIP3 8389 90.093 66.574 40.151 1.00 0.00 WT3 H ATOM 46530 H2 TIP3 8389 88.889 66.161 40.971 1.00 0.00 WT3 H ATOM 46531 OH2 TIP3 8391 58.759 67.217 49.338 1.00 0.00 WT3 O ATOM 46532 H1 TIP3 8391 59.195 66.954 48.527 1.00 0.00 WT3 H ATOM 46533 H2 TIP3 8391 57.825 67.161 49.138 1.00 0.00 WT3 H ATOM 46534 OH2 TIP3 8392 73.874 80.365 57.362 1.00 0.00 WT3 O ATOM 46535 H1 TIP3 8392 74.129 79.771 58.067 1.00 0.00 WT3 H ATOM 46536 H2 TIP3 8392 73.515 79.793 56.684 1.00 0.00 WT3 H ATOM 46537 OH2 TIP3 8393 63.984 45.719 -0.969 1.00 0.00 WT3 O ATOM 46538 H1 TIP3 8393 64.874 45.767 -0.621 1.00 0.00 WT3 H ATOM 46539 H2 TIP3 8393 63.546 46.494 -0.617 1.00 0.00 WT3 H ATOM 46540 OH2 TIP3 8394 85.069 51.395 15.465 1.00 0.00 WT3 O ATOM 46541 H1 TIP3 8394 84.737 51.936 14.749 1.00 0.00 WT3 H ATOM 46542 H2 TIP3 8394 85.224 50.538 15.066 1.00 0.00 WT3 H ATOM 46543 OH2 TIP3 8396 70.435 69.453 19.709 1.00 0.00 WT3 O ATOM 46544 H1 TIP3 8396 70.464 69.567 18.759 1.00 0.00 WT3 H ATOM 46545 H2 TIP3 8396 70.675 68.537 19.848 1.00 0.00 WT3 H ATOM 46546 OH2 TIP3 8397 57.181 72.036 52.878 1.00 0.00 WT3 O ATOM 46547 H1 TIP3 8397 56.954 71.274 53.412 1.00 0.00 WT3 H ATOM 46548 H2 TIP3 8397 58.046 71.830 52.523 1.00 0.00 WT3 H ATOM 46549 OH2 TIP3 8399 81.669 45.962 59.114 1.00 0.00 WT3 O ATOM 46550 H1 TIP3 8399 82.196 45.879 59.909 1.00 0.00 WT3 H ATOM 46551 H2 TIP3 8399 82.308 46.111 58.417 1.00 0.00 WT3 H ATOM 46552 OH2 TIP3 8401 35.098 36.407 -13.495 1.00 0.00 WT3 O ATOM 46553 H1 TIP3 8401 35.826 35.791 -13.420 1.00 0.00 WT3 H ATOM 46554 H2 TIP3 8401 35.024 36.579 -14.434 1.00 0.00 WT3 H ATOM 46555 OH2 TIP3 8402 83.691 57.237 -6.099 1.00 0.00 WT3 O ATOM 46556 H1 TIP3 8402 82.836 57.280 -5.669 1.00 0.00 WT3 H ATOM 46557 H2 TIP3 8402 83.843 56.302 -6.237 1.00 0.00 WT3 H ATOM 46558 OH2 TIP3 8403 73.019 53.914 35.713 1.00 0.00 WT3 O ATOM 46559 H1 TIP3 8403 72.698 53.183 35.184 1.00 0.00 WT3 H ATOM 46560 H2 TIP3 8403 72.254 54.208 36.206 1.00 0.00 WT3 H ATOM 46561 OH2 TIP3 8404 71.479 84.687 63.967 1.00 0.00 WT3 O ATOM 46562 H1 TIP3 8404 71.417 84.685 64.922 1.00 0.00 WT3 H ATOM 46563 H2 TIP3 8404 71.759 85.575 63.746 1.00 0.00 WT3 H ATOM 46564 OH2 TIP3 8406 62.583 74.186 2.638 1.00 0.00 WT3 O ATOM 46565 H1 TIP3 8406 62.381 74.745 3.389 1.00 0.00 WT3 H ATOM 46566 H2 TIP3 8406 61.829 73.602 2.563 1.00 0.00 WT3 H ATOM 46567 OH2 TIP3 8408 28.000 42.231 -7.095 1.00 0.00 WT3 O ATOM 46568 H1 TIP3 8408 28.667 42.876 -6.860 1.00 0.00 WT3 H ATOM 46569 H2 TIP3 8408 27.260 42.432 -6.522 1.00 0.00 WT3 H ATOM 46570 OH2 TIP3 8409 42.152 94.871 22.241 1.00 0.00 WT3 O ATOM 46571 H1 TIP3 8409 42.546 94.109 21.816 1.00 0.00 WT3 H ATOM 46572 H2 TIP3 8409 41.833 95.411 21.519 1.00 0.00 WT3 H ATOM 46573 OH2 TIP3 8410 30.292 46.985 23.496 1.00 0.00 WT3 O ATOM 46574 H1 TIP3 8410 31.146 46.827 23.093 1.00 0.00 WT3 H ATOM 46575 H2 TIP3 8410 30.313 47.907 23.749 1.00 0.00 WT3 H ATOM 46576 OH2 TIP3 8411 37.594 40.188 22.144 1.00 0.00 WT3 O ATOM 46577 H1 TIP3 8411 37.781 39.633 22.901 1.00 0.00 WT3 H ATOM 46578 H2 TIP3 8411 38.429 40.614 21.948 1.00 0.00 WT3 H ATOM 46579 OH2 TIP3 8412 63.319 23.189 58.688 1.00 0.00 WT3 O ATOM 46580 H1 TIP3 8412 62.895 23.459 57.873 1.00 0.00 WT3 H ATOM 46581 H2 TIP3 8412 63.156 22.248 58.744 1.00 0.00 WT3 H ATOM 46582 OH2 TIP3 8413 50.716 53.503 51.030 1.00 0.00 WT3 O ATOM 46583 H1 TIP3 8413 50.224 54.310 50.877 1.00 0.00 WT3 H ATOM 46584 H2 TIP3 8413 50.913 53.172 50.154 1.00 0.00 WT3 H ATOM 46585 OH2 TIP3 8414 37.986 85.068 33.590 1.00 0.00 WT3 O ATOM 46586 H1 TIP3 8414 37.834 84.641 32.747 1.00 0.00 WT3 H ATOM 46587 H2 TIP3 8414 38.094 85.995 33.374 1.00 0.00 WT3 H ATOM 46588 OH2 TIP3 8415 33.471 32.892 19.600 1.00 0.00 WT3 O ATOM 46589 H1 TIP3 8415 33.274 33.215 20.480 1.00 0.00 WT3 H ATOM 46590 H2 TIP3 8415 34.200 33.436 19.302 1.00 0.00 WT3 H ATOM 46591 OH2 TIP3 8416 84.993 72.422 62.177 1.00 0.00 WT3 O ATOM 46592 H1 TIP3 8416 84.811 72.977 61.420 1.00 0.00 WT3 H ATOM 46593 H2 TIP3 8416 84.405 71.674 62.074 1.00 0.00 WT3 H ATOM 46594 OH2 TIP3 8419 34.470 22.441 22.271 1.00 0.00 WT3 O ATOM 46595 H1 TIP3 8419 35.127 21.747 22.221 1.00 0.00 WT3 H ATOM 46596 H2 TIP3 8419 34.384 22.621 23.207 1.00 0.00 WT3 H ATOM 46597 OH2 TIP3 8420 36.600 91.739 -12.060 1.00 0.00 WT3 O ATOM 46598 H1 TIP3 8420 37.193 92.393 -11.688 1.00 0.00 WT3 H ATOM 46599 H2 TIP3 8420 36.322 91.214 -11.310 1.00 0.00 WT3 H ATOM 46600 OH2 TIP3 8421 90.877 43.562 12.992 1.00 0.00 WT3 O ATOM 46601 H1 TIP3 8421 91.020 43.609 13.938 1.00 0.00 WT3 H ATOM 46602 H2 TIP3 8421 89.929 43.474 12.897 1.00 0.00 WT3 H ATOM 46603 OH2 TIP3 8422 82.695 50.696 25.069 1.00 0.00 WT3 O ATOM 46604 H1 TIP3 8422 81.952 50.094 25.023 1.00 0.00 WT3 H ATOM 46605 H2 TIP3 8422 82.466 51.305 25.772 1.00 0.00 WT3 H ATOM 46606 OH2 TIP3 8423 85.571 65.056 46.162 1.00 0.00 WT3 O ATOM 46607 H1 TIP3 8423 85.218 64.793 45.312 1.00 0.00 WT3 H ATOM 46608 H2 TIP3 8423 85.925 65.933 46.015 1.00 0.00 WT3 H ATOM 46609 OH2 TIP3 8424 54.508 49.376 59.491 1.00 0.00 WT3 O ATOM 46610 H1 TIP3 8424 54.065 49.275 60.334 1.00 0.00 WT3 H ATOM 46611 H2 TIP3 8424 53.798 49.484 58.858 1.00 0.00 WT3 H ATOM 46612 OH2 TIP3 8425 48.653 50.559 55.778 1.00 0.00 WT3 O ATOM 46613 H1 TIP3 8425 49.328 50.962 56.325 1.00 0.00 WT3 H ATOM 46614 H2 TIP3 8425 49.114 50.301 54.980 1.00 0.00 WT3 H ATOM 46615 OH2 TIP3 8426 78.562 32.556 -10.945 1.00 0.00 WT3 O ATOM 46616 H1 TIP3 8426 79.072 31.986 -10.369 1.00 0.00 WT3 H ATOM 46617 H2 TIP3 8426 78.479 32.061 -11.760 1.00 0.00 WT3 H ATOM 46618 OH2 TIP3 8427 70.987 1.630 -15.249 1.00 0.00 WT3 O ATOM 46619 H1 TIP3 8427 70.475 2.002 -14.531 1.00 0.00 WT3 H ATOM 46620 H2 TIP3 8427 70.879 0.684 -15.156 1.00 0.00 WT3 H ATOM 46621 OH2 TIP3 8428 71.282 25.980 -0.195 1.00 0.00 WT3 O ATOM 46622 H1 TIP3 8428 71.793 25.608 -0.914 1.00 0.00 WT3 H ATOM 46623 H2 TIP3 8428 70.612 26.510 -0.626 1.00 0.00 WT3 H ATOM 46624 OH2 TIP3 8429 84.013 52.428 -2.443 1.00 0.00 WT3 O ATOM 46625 H1 TIP3 8429 84.019 52.473 -1.487 1.00 0.00 WT3 H ATOM 46626 H2 TIP3 8429 83.580 53.235 -2.719 1.00 0.00 WT3 H ATOM 46627 OH2 TIP3 8430 40.607 7.485 39.798 1.00 0.00 WT3 O ATOM 46628 H1 TIP3 8430 41.473 7.141 40.015 1.00 0.00 WT3 H ATOM 46629 H2 TIP3 8430 40.393 8.072 40.524 1.00 0.00 WT3 H ATOM 46630 OH2 TIP3 8431 55.993 80.468 -9.566 1.00 0.00 WT3 O ATOM 46631 H1 TIP3 8431 55.991 79.944 -8.765 1.00 0.00 WT3 H ATOM 46632 H2 TIP3 8431 56.909 80.480 -9.843 1.00 0.00 WT3 H ATOM 46633 OH2 TIP3 8432 73.322 78.354 8.663 1.00 0.00 WT3 O ATOM 46634 H1 TIP3 8432 72.541 77.802 8.691 1.00 0.00 WT3 H ATOM 46635 H2 TIP3 8432 73.927 77.885 8.088 1.00 0.00 WT3 H ATOM 46636 OH2 TIP3 8433 55.231 4.664 49.050 1.00 0.00 WT3 O ATOM 46637 H1 TIP3 8433 55.207 4.059 49.791 1.00 0.00 WT3 H ATOM 46638 H2 TIP3 8433 55.678 5.440 49.388 1.00 0.00 WT3 H ATOM 46639 OH2 TIP3 8434 87.235 34.159 56.592 1.00 0.00 WT3 O ATOM 46640 H1 TIP3 8434 86.815 33.311 56.450 1.00 0.00 WT3 H ATOM 46641 H2 TIP3 8434 87.930 33.980 57.224 1.00 0.00 WT3 H ATOM 46642 OH2 TIP3 8435 69.445 83.787 55.372 1.00 0.00 WT3 O ATOM 46643 H1 TIP3 8435 68.926 82.985 55.440 1.00 0.00 WT3 H ATOM 46644 H2 TIP3 8435 69.665 84.008 56.277 1.00 0.00 WT3 H ATOM 46645 OH2 TIP3 8437 29.004 60.226 48.564 1.00 0.00 WT3 O ATOM 46646 H1 TIP3 8437 28.969 60.815 47.811 1.00 0.00 WT3 H ATOM 46647 H2 TIP3 8437 28.091 60.128 48.835 1.00 0.00 WT3 H ATOM 46648 OH2 TIP3 8438 89.742 9.699 36.791 1.00 0.00 WT3 O ATOM 46649 H1 TIP3 8438 89.194 9.518 36.027 1.00 0.00 WT3 H ATOM 46650 H2 TIP3 8438 90.638 9.584 36.477 1.00 0.00 WT3 H ATOM 46651 OH2 TIP3 8439 73.104 94.560 50.190 1.00 0.00 WT3 O ATOM 46652 H1 TIP3 8439 72.402 93.971 50.466 1.00 0.00 WT3 H ATOM 46653 H2 TIP3 8439 73.852 93.985 50.030 1.00 0.00 WT3 H ATOM 46654 OH2 TIP3 8441 62.270 63.868 61.583 1.00 0.00 WT3 O ATOM 46655 H1 TIP3 8441 62.785 64.668 61.689 1.00 0.00 WT3 H ATOM 46656 H2 TIP3 8441 62.361 63.644 60.657 1.00 0.00 WT3 H ATOM 46657 OH2 TIP3 8442 82.967 36.644 -13.996 1.00 0.00 WT3 O ATOM 46658 H1 TIP3 8442 82.591 35.772 -13.881 1.00 0.00 WT3 H ATOM 46659 H2 TIP3 8442 82.672 36.920 -14.864 1.00 0.00 WT3 H ATOM 46660 OH2 TIP3 8443 70.335 80.851 -6.430 1.00 0.00 WT3 O ATOM 46661 H1 TIP3 8443 70.440 80.287 -5.663 1.00 0.00 WT3 H ATOM 46662 H2 TIP3 8443 70.967 81.557 -6.297 1.00 0.00 WT3 H ATOM 46663 OH2 TIP3 8444 31.107 0.445 13.594 1.00 0.00 WT3 O ATOM 46664 H1 TIP3 8444 31.749 0.429 12.883 1.00 0.00 WT3 H ATOM 46665 H2 TIP3 8444 31.032 1.370 13.827 1.00 0.00 WT3 H ATOM 46666 OH2 TIP3 8445 36.363 69.859 6.544 1.00 0.00 WT3 O ATOM 46667 H1 TIP3 8445 36.958 70.273 7.169 1.00 0.00 WT3 H ATOM 46668 H2 TIP3 8445 36.635 68.941 6.526 1.00 0.00 WT3 H ATOM 46669 OH2 TIP3 8446 54.989 68.081 18.585 1.00 0.00 WT3 O ATOM 46670 H1 TIP3 8446 55.506 68.141 17.782 1.00 0.00 WT3 H ATOM 46671 H2 TIP3 8446 54.145 67.727 18.302 1.00 0.00 WT3 H ATOM 46672 OH2 TIP3 8447 50.078 56.607 -14.598 1.00 0.00 WT3 O ATOM 46673 H1 TIP3 8447 50.721 56.956 -15.215 1.00 0.00 WT3 H ATOM 46674 H2 TIP3 8447 49.424 57.301 -14.515 1.00 0.00 WT3 H ATOM 46675 OH2 TIP3 8448 21.270 80.633 66.023 1.00 0.00 WT3 O ATOM 46676 H1 TIP3 8448 21.330 80.852 66.953 1.00 0.00 WT3 H ATOM 46677 H2 TIP3 8448 21.706 79.785 65.947 1.00 0.00 WT3 H ATOM 46678 OH2 TIP3 8450 23.896 64.742 8.472 1.00 0.00 WT3 O ATOM 46679 H1 TIP3 8450 24.133 65.276 9.230 1.00 0.00 WT3 H ATOM 46680 H2 TIP3 8450 23.047 64.363 8.701 1.00 0.00 WT3 H ATOM 46681 OH2 TIP3 8451 47.677 39.891 26.666 1.00 0.00 WT3 O ATOM 46682 H1 TIP3 8451 47.567 39.961 25.718 1.00 0.00 WT3 H ATOM 46683 H2 TIP3 8451 48.348 39.218 26.781 1.00 0.00 WT3 H ATOM 46684 OH2 TIP3 8453 79.235 26.591 -14.318 1.00 0.00 WT3 O ATOM 46685 H1 TIP3 8453 78.386 26.509 -13.883 1.00 0.00 WT3 H ATOM 46686 H2 TIP3 8453 79.023 26.869 -15.209 1.00 0.00 WT3 H ATOM 46687 OH2 TIP3 8455 33.916 79.290 3.438 1.00 0.00 WT3 O ATOM 46688 H1 TIP3 8455 33.096 79.483 2.984 1.00 0.00 WT3 H ATOM 46689 H2 TIP3 8455 34.531 79.948 3.113 1.00 0.00 WT3 H ATOM 46690 OH2 TIP3 8456 66.387 54.872 -6.795 1.00 0.00 WT3 O ATOM 46691 H1 TIP3 8456 66.786 55.724 -6.620 1.00 0.00 WT3 H ATOM 46692 H2 TIP3 8456 66.862 54.536 -7.555 1.00 0.00 WT3 H ATOM 46693 OH2 TIP3 8457 51.931 84.457 -12.759 1.00 0.00 WT3 O ATOM 46694 H1 TIP3 8457 52.705 85.007 -12.880 1.00 0.00 WT3 H ATOM 46695 H2 TIP3 8457 52.221 83.577 -13.000 1.00 0.00 WT3 H ATOM 46696 OH2 TIP3 8458 21.405 85.380 24.469 1.00 0.00 WT3 O ATOM 46697 H1 TIP3 8458 21.005 86.240 24.592 1.00 0.00 WT3 H ATOM 46698 H2 TIP3 8458 22.324 85.506 24.706 1.00 0.00 WT3 H ATOM 46699 OH2 TIP3 8459 74.227 71.772 25.371 1.00 0.00 WT3 O ATOM 46700 H1 TIP3 8459 73.298 71.994 25.306 1.00 0.00 WT3 H ATOM 46701 H2 TIP3 8459 74.522 71.705 24.462 1.00 0.00 WT3 H ATOM 46702 OH2 TIP3 8461 25.944 48.082 -19.318 1.00 0.00 WT3 O ATOM 46703 H1 TIP3 8461 26.279 47.334 -19.814 1.00 0.00 WT3 H ATOM 46704 H2 TIP3 8461 25.872 47.761 -18.419 1.00 0.00 WT3 H ATOM 46705 OH2 TIP3 8462 45.915 31.838 53.218 1.00 0.00 WT3 O ATOM 46706 H1 TIP3 8462 44.977 31.918 53.391 1.00 0.00 WT3 H ATOM 46707 H2 TIP3 8462 46.331 32.375 53.894 1.00 0.00 WT3 H ATOM 46708 OH2 TIP3 8463 85.473 79.851 -7.318 1.00 0.00 WT3 O ATOM 46709 H1 TIP3 8463 84.610 79.497 -7.106 1.00 0.00 WT3 H ATOM 46710 H2 TIP3 8463 85.371 80.800 -7.238 1.00 0.00 WT3 H ATOM 46711 OH2 TIP3 8464 53.649 36.587 -14.877 1.00 0.00 WT3 O ATOM 46712 H1 TIP3 8464 52.705 36.491 -15.004 1.00 0.00 WT3 H ATOM 46713 H2 TIP3 8464 53.842 37.476 -15.174 1.00 0.00 WT3 H ATOM 46714 OH2 TIP3 8465 85.075 45.958 -15.189 1.00 0.00 WT3 O ATOM 46715 H1 TIP3 8465 85.433 45.097 -14.970 1.00 0.00 WT3 H ATOM 46716 H2 TIP3 8465 85.185 46.474 -14.391 1.00 0.00 WT3 H ATOM 46717 OH2 TIP3 8466 64.208 38.633 5.666 1.00 0.00 WT3 O ATOM 46718 H1 TIP3 8466 63.812 37.967 6.229 1.00 0.00 WT3 H ATOM 46719 H2 TIP3 8466 63.468 39.152 5.351 1.00 0.00 WT3 H ATOM 46720 OH2 TIP3 8467 43.906 60.604 46.341 1.00 0.00 WT3 O ATOM 46721 H1 TIP3 8467 43.875 59.878 45.717 1.00 0.00 WT3 H ATOM 46722 H2 TIP3 8467 44.424 61.277 45.900 1.00 0.00 WT3 H ATOM 46723 OH2 TIP3 8468 28.424 81.639 49.771 1.00 0.00 WT3 O ATOM 46724 H1 TIP3 8468 29.108 81.242 49.232 1.00 0.00 WT3 H ATOM 46725 H2 TIP3 8468 28.798 82.473 50.055 1.00 0.00 WT3 H ATOM 46726 OH2 TIP3 8469 65.505 57.881 36.055 1.00 0.00 WT3 O ATOM 46727 H1 TIP3 8469 64.821 58.532 35.897 1.00 0.00 WT3 H ATOM 46728 H2 TIP3 8469 65.174 57.358 36.785 1.00 0.00 WT3 H ATOM 46729 OH2 TIP3 8470 55.511 48.880 -9.199 1.00 0.00 WT3 O ATOM 46730 H1 TIP3 8470 54.777 49.055 -8.610 1.00 0.00 WT3 H ATOM 46731 H2 TIP3 8470 55.673 49.717 -9.635 1.00 0.00 WT3 H ATOM 46732 OH2 TIP3 8472 32.132 81.312 53.299 1.00 0.00 WT3 O ATOM 46733 H1 TIP3 8472 31.729 81.097 52.458 1.00 0.00 WT3 H ATOM 46734 H2 TIP3 8472 31.456 81.800 53.770 1.00 0.00 WT3 H ATOM 46735 OH2 TIP3 8473 69.545 34.381 10.785 1.00 0.00 WT3 O ATOM 46736 H1 TIP3 8473 70.128 34.335 11.542 1.00 0.00 WT3 H ATOM 46737 H2 TIP3 8473 68.778 34.859 11.102 1.00 0.00 WT3 H ATOM 46738 OH2 TIP3 8474 70.381 58.863 46.779 1.00 0.00 WT3 O ATOM 46739 H1 TIP3 8474 69.539 58.418 46.871 1.00 0.00 WT3 H ATOM 46740 H2 TIP3 8474 70.965 58.199 46.414 1.00 0.00 WT3 H ATOM 46741 OH2 TIP3 8475 25.196 52.267 14.746 1.00 0.00 WT3 O ATOM 46742 H1 TIP3 8475 25.083 51.638 14.034 1.00 0.00 WT3 H ATOM 46743 H2 TIP3 8475 25.874 51.882 15.301 1.00 0.00 WT3 H ATOM 46744 OH2 TIP3 8476 82.778 82.682 33.196 1.00 0.00 WT3 O ATOM 46745 H1 TIP3 8476 82.460 81.827 32.908 1.00 0.00 WT3 H ATOM 46746 H2 TIP3 8476 82.166 82.947 33.883 1.00 0.00 WT3 H ATOM 46747 OH2 TIP3 8477 22.257 87.724 12.495 1.00 0.00 WT3 O ATOM 46748 H1 TIP3 8477 23.066 87.352 12.844 1.00 0.00 WT3 H ATOM 46749 H2 TIP3 8477 21.571 87.122 12.786 1.00 0.00 WT3 H ATOM 46750 OH2 TIP3 8478 21.645 86.108 48.322 1.00 0.00 WT3 O ATOM 46751 H1 TIP3 8478 22.022 86.983 48.414 1.00 0.00 WT3 H ATOM 46752 H2 TIP3 8478 22.058 85.751 47.536 1.00 0.00 WT3 H ATOM 46753 OH2 TIP3 8479 21.555 48.620 41.738 1.00 0.00 WT3 O ATOM 46754 H1 TIP3 8479 21.234 48.453 40.852 1.00 0.00 WT3 H ATOM 46755 H2 TIP3 8479 20.816 48.404 42.307 1.00 0.00 WT3 H ATOM 46756 OH2 TIP3 8480 81.117 51.370 32.156 1.00 0.00 WT3 O ATOM 46757 H1 TIP3 8480 81.718 51.232 32.888 1.00 0.00 WT3 H ATOM 46758 H2 TIP3 8480 80.406 51.893 32.525 1.00 0.00 WT3 H ATOM 46759 OH2 TIP3 8481 73.158 24.270 48.396 1.00 0.00 WT3 O ATOM 46760 H1 TIP3 8481 73.659 25.008 48.743 1.00 0.00 WT3 H ATOM 46761 H2 TIP3 8481 72.945 24.524 47.498 1.00 0.00 WT3 H ATOM 46762 OH2 TIP3 8482 49.117 92.533 -18.546 1.00 0.00 WT3 O ATOM 46763 H1 TIP3 8482 49.695 92.637 -19.302 1.00 0.00 WT3 H ATOM 46764 H2 TIP3 8482 48.492 93.254 -18.621 1.00 0.00 WT3 H ATOM 46765 OH2 TIP3 8483 52.392 66.590 62.278 1.00 0.00 WT3 O ATOM 46766 H1 TIP3 8483 52.425 66.303 61.366 1.00 0.00 WT3 H ATOM 46767 H2 TIP3 8483 52.975 67.348 62.313 1.00 0.00 WT3 H ATOM 46768 OH2 TIP3 8484 51.514 79.958 63.152 1.00 0.00 WT3 O ATOM 46769 H1 TIP3 8484 51.570 79.879 64.105 1.00 0.00 WT3 H ATOM 46770 H2 TIP3 8484 52.353 80.337 62.893 1.00 0.00 WT3 H ATOM 46771 OH2 TIP3 8485 65.026 92.821 -16.909 1.00 0.00 WT3 O ATOM 46772 H1 TIP3 8485 65.967 92.646 -16.895 1.00 0.00 WT3 H ATOM 46773 H2 TIP3 8485 64.900 93.395 -17.664 1.00 0.00 WT3 H ATOM 46774 OH2 TIP3 8486 31.819 65.941 42.709 1.00 0.00 WT3 O ATOM 46775 H1 TIP3 8486 32.564 65.499 42.302 1.00 0.00 WT3 H ATOM 46776 H2 TIP3 8486 31.236 66.150 41.979 1.00 0.00 WT3 H ATOM 46777 OH2 TIP3 8487 79.408 66.359 64.439 1.00 0.00 WT3 O ATOM 46778 H1 TIP3 8487 78.634 66.165 63.911 1.00 0.00 WT3 H ATOM 46779 H2 TIP3 8487 79.152 66.131 65.333 1.00 0.00 WT3 H ATOM 46780 OH2 TIP3 8489 36.668 48.330 54.830 1.00 0.00 WT3 O ATOM 46781 H1 TIP3 8489 37.415 48.911 54.978 1.00 0.00 WT3 H ATOM 46782 H2 TIP3 8489 37.042 47.449 54.850 1.00 0.00 WT3 H ATOM 46783 OH2 TIP3 8490 53.164 9.733 47.143 1.00 0.00 WT3 O ATOM 46784 H1 TIP3 8490 52.874 9.716 48.055 1.00 0.00 WT3 H ATOM 46785 H2 TIP3 8490 52.391 9.476 46.640 1.00 0.00 WT3 H ATOM 46786 OH2 TIP3 8491 49.995 1.732 53.489 1.00 0.00 WT3 O ATOM 46787 H1 TIP3 8491 50.503 1.031 53.899 1.00 0.00 WT3 H ATOM 46788 H2 TIP3 8491 50.048 2.460 54.108 1.00 0.00 WT3 H ATOM 46789 OH2 TIP3 8492 77.812 16.059 -0.962 1.00 0.00 WT3 O ATOM 46790 H1 TIP3 8492 77.598 16.731 -0.315 1.00 0.00 WT3 H ATOM 46791 H2 TIP3 8492 77.207 15.341 -0.773 1.00 0.00 WT3 H ATOM 46792 OH2 TIP3 8494 70.899 95.515 -5.033 1.00 0.00 WT3 O ATOM 46793 H1 TIP3 8494 71.336 95.761 -4.218 1.00 0.00 WT3 H ATOM 46794 H2 TIP3 8494 71.463 94.842 -5.414 1.00 0.00 WT3 H ATOM 46795 OH2 TIP3 8495 72.464 41.117 57.014 1.00 0.00 WT3 O ATOM 46796 H1 TIP3 8495 71.524 41.231 56.877 1.00 0.00 WT3 H ATOM 46797 H2 TIP3 8495 72.807 42.008 57.085 1.00 0.00 WT3 H ATOM 46798 OH2 TIP3 8496 76.538 90.617 18.362 1.00 0.00 WT3 O ATOM 46799 H1 TIP3 8496 76.285 89.785 17.963 1.00 0.00 WT3 H ATOM 46800 H2 TIP3 8496 76.153 90.591 19.238 1.00 0.00 WT3 H ATOM 46801 OH2 TIP3 8497 56.415 72.806 39.344 1.00 0.00 WT3 O ATOM 46802 H1 TIP3 8497 57.015 72.193 38.919 1.00 0.00 WT3 H ATOM 46803 H2 TIP3 8497 55.735 72.251 39.726 1.00 0.00 WT3 H ATOM 46804 OH2 TIP3 8498 74.336 82.245 0.094 1.00 0.00 WT3 O ATOM 46805 H1 TIP3 8498 75.246 81.950 0.126 1.00 0.00 WT3 H ATOM 46806 H2 TIP3 8498 73.906 81.630 -0.501 1.00 0.00 WT3 H ATOM 46807 OH2 TIP3 8499 21.230 27.583 -11.662 1.00 0.00 WT3 O ATOM 46808 H1 TIP3 8499 21.216 28.002 -12.523 1.00 0.00 WT3 H ATOM 46809 H2 TIP3 8499 21.634 26.729 -11.817 1.00 0.00 WT3 H ATOM 46810 OH2 TIP3 8501 51.989 23.385 62.513 1.00 0.00 WT3 O ATOM 46811 H1 TIP3 8501 51.184 23.633 62.059 1.00 0.00 WT3 H ATOM 46812 H2 TIP3 8501 52.691 23.625 61.907 1.00 0.00 WT3 H ATOM 46813 OH2 TIP3 8502 31.765 81.726 -13.295 1.00 0.00 WT3 O ATOM 46814 H1 TIP3 8502 32.279 82.145 -13.985 1.00 0.00 WT3 H ATOM 46815 H2 TIP3 8502 32.199 80.886 -13.147 1.00 0.00 WT3 H ATOM 46816 OH2 TIP3 8503 62.420 52.389 38.519 1.00 0.00 WT3 O ATOM 46817 H1 TIP3 8503 61.761 53.082 38.546 1.00 0.00 WT3 H ATOM 46818 H2 TIP3 8503 62.025 51.702 37.981 1.00 0.00 WT3 H ATOM 46819 OH2 TIP3 8505 30.563 23.633 -16.877 1.00 0.00 WT3 O ATOM 46820 H1 TIP3 8505 30.092 24.459 -16.772 1.00 0.00 WT3 H ATOM 46821 H2 TIP3 8505 31.471 23.892 -17.036 1.00 0.00 WT3 H ATOM 46822 OH2 TIP3 8507 69.296 9.027 -2.154 1.00 0.00 WT3 O ATOM 46823 H1 TIP3 8507 70.017 9.656 -2.181 1.00 0.00 WT3 H ATOM 46824 H2 TIP3 8507 69.213 8.798 -1.228 1.00 0.00 WT3 H ATOM 46825 OH2 TIP3 8508 84.409 1.741 -16.218 1.00 0.00 WT3 O ATOM 46826 H1 TIP3 8508 85.298 1.411 -16.349 1.00 0.00 WT3 H ATOM 46827 H2 TIP3 8508 84.165 1.435 -15.345 1.00 0.00 WT3 H ATOM 46828 OH2 TIP3 8509 43.874 82.652 -10.164 1.00 0.00 WT3 O ATOM 46829 H1 TIP3 8509 44.170 81.800 -9.843 1.00 0.00 WT3 H ATOM 46830 H2 TIP3 8509 44.469 83.282 -9.758 1.00 0.00 WT3 H ATOM 46831 OH2 TIP3 8510 28.810 77.510 23.646 1.00 0.00 WT3 O ATOM 46832 H1 TIP3 8510 28.918 78.301 24.174 1.00 0.00 WT3 H ATOM 46833 H2 TIP3 8510 27.996 77.118 23.963 1.00 0.00 WT3 H ATOM 46834 OH2 TIP3 8512 35.944 7.675 -13.261 1.00 0.00 WT3 O ATOM 46835 H1 TIP3 8512 35.320 7.404 -12.587 1.00 0.00 WT3 H ATOM 46836 H2 TIP3 8512 36.218 6.858 -13.677 1.00 0.00 WT3 H ATOM 46837 OH2 TIP3 8513 53.112 74.068 -6.676 1.00 0.00 WT3 O ATOM 46838 H1 TIP3 8513 52.477 74.519 -6.120 1.00 0.00 WT3 H ATOM 46839 H2 TIP3 8513 53.253 74.665 -7.412 1.00 0.00 WT3 H ATOM 46840 OH2 TIP3 8514 19.966 59.366 7.274 1.00 0.00 WT3 O ATOM 46841 H1 TIP3 8514 20.491 58.738 7.770 1.00 0.00 WT3 H ATOM 46842 H2 TIP3 8514 20.541 59.655 6.566 1.00 0.00 WT3 H ATOM 46843 OH2 TIP3 8515 41.835 47.435 -17.330 1.00 0.00 WT3 O ATOM 46844 H1 TIP3 8515 42.437 46.722 -17.544 1.00 0.00 WT3 H ATOM 46845 H2 TIP3 8515 42.175 48.189 -17.813 1.00 0.00 WT3 H ATOM 46846 OH2 TIP3 8516 35.532 46.848 0.674 1.00 0.00 WT3 O ATOM 46847 H1 TIP3 8516 35.461 47.784 0.483 1.00 0.00 WT3 H ATOM 46848 H2 TIP3 8516 34.626 46.549 0.748 1.00 0.00 WT3 H ATOM 46849 OH2 TIP3 8517 77.219 76.561 36.412 1.00 0.00 WT3 O ATOM 46850 H1 TIP3 8517 77.990 76.648 36.973 1.00 0.00 WT3 H ATOM 46851 H2 TIP3 8517 76.647 77.281 36.678 1.00 0.00 WT3 H ATOM 46852 OH2 TIP3 8518 59.618 96.731 -13.009 1.00 0.00 WT3 O ATOM 46853 H1 TIP3 8518 59.395 96.056 -13.650 1.00 0.00 WT3 H ATOM 46854 H2 TIP3 8518 58.955 96.640 -12.325 1.00 0.00 WT3 H ATOM 46855 OH2 TIP3 8519 80.886 68.518 9.725 1.00 0.00 WT3 O ATOM 46856 H1 TIP3 8519 81.717 68.201 10.080 1.00 0.00 WT3 H ATOM 46857 H2 TIP3 8519 80.347 67.732 9.637 1.00 0.00 WT3 H ATOM 46858 OH2 TIP3 8520 39.210 81.507 1.397 1.00 0.00 WT3 O ATOM 46859 H1 TIP3 8520 40.082 81.864 1.567 1.00 0.00 WT3 H ATOM 46860 H2 TIP3 8520 38.862 81.300 2.265 1.00 0.00 WT3 H ATOM 46861 OH2 TIP3 8521 23.111 73.067 -13.265 1.00 0.00 WT3 O ATOM 46862 H1 TIP3 8521 22.163 73.015 -13.143 1.00 0.00 WT3 H ATOM 46863 H2 TIP3 8521 23.455 73.259 -12.393 1.00 0.00 WT3 H ATOM 46864 OH2 TIP3 8522 84.371 56.865 -17.520 1.00 0.00 WT3 O ATOM 46865 H1 TIP3 8522 84.894 57.044 -16.739 1.00 0.00 WT3 H ATOM 46866 H2 TIP3 8522 84.273 55.913 -17.530 1.00 0.00 WT3 H ATOM 46867 OH2 TIP3 8523 20.621 16.293 34.263 1.00 0.00 WT3 O ATOM 46868 H1 TIP3 8523 20.279 17.129 33.947 1.00 0.00 WT3 H ATOM 46869 H2 TIP3 8523 20.352 16.254 35.181 1.00 0.00 WT3 H ATOM 46870 OH2 TIP3 8524 65.930 5.187 40.129 1.00 0.00 WT3 O ATOM 46871 H1 TIP3 8524 65.712 4.950 41.031 1.00 0.00 WT3 H ATOM 46872 H2 TIP3 8524 66.526 5.932 40.214 1.00 0.00 WT3 H ATOM 46873 OH2 TIP3 8525 47.232 84.051 54.736 1.00 0.00 WT3 O ATOM 46874 H1 TIP3 8525 46.714 84.351 55.482 1.00 0.00 WT3 H ATOM 46875 H2 TIP3 8525 48.051 84.543 54.799 1.00 0.00 WT3 H ATOM 46876 OH2 TIP3 8526 24.204 78.549 45.846 1.00 0.00 WT3 O ATOM 46877 H1 TIP3 8526 24.592 79.192 46.440 1.00 0.00 WT3 H ATOM 46878 H2 TIP3 8526 24.328 77.709 46.288 1.00 0.00 WT3 H ATOM 46879 OH2 TIP3 8527 60.172 65.576 62.917 1.00 0.00 WT3 O ATOM 46880 H1 TIP3 8527 60.785 64.841 62.907 1.00 0.00 WT3 H ATOM 46881 H2 TIP3 8527 60.478 66.153 62.218 1.00 0.00 WT3 H ATOM 46882 OH2 TIP3 8528 66.297 49.139 -6.290 1.00 0.00 WT3 O ATOM 46883 H1 TIP3 8528 65.367 48.989 -6.119 1.00 0.00 WT3 H ATOM 46884 H2 TIP3 8528 66.545 49.833 -5.679 1.00 0.00 WT3 H ATOM 46885 OH2 TIP3 8529 39.868 92.904 47.504 1.00 0.00 WT3 O ATOM 46886 H1 TIP3 8529 39.256 93.592 47.765 1.00 0.00 WT3 H ATOM 46887 H2 TIP3 8529 39.492 92.538 46.703 1.00 0.00 WT3 H ATOM 46888 OH2 TIP3 8530 36.197 7.725 -7.079 1.00 0.00 WT3 O ATOM 46889 H1 TIP3 8530 36.435 6.988 -7.641 1.00 0.00 WT3 H ATOM 46890 H2 TIP3 8530 35.328 7.502 -6.746 1.00 0.00 WT3 H ATOM 46891 OH2 TIP3 8531 25.746 69.358 -3.668 1.00 0.00 WT3 O ATOM 46892 H1 TIP3 8531 25.810 68.824 -2.876 1.00 0.00 WT3 H ATOM 46893 H2 TIP3 8531 26.199 70.172 -3.446 1.00 0.00 WT3 H ATOM 46894 OH2 TIP3 8532 59.199 50.797 51.832 1.00 0.00 WT3 O ATOM 46895 H1 TIP3 8532 59.972 51.361 51.822 1.00 0.00 WT3 H ATOM 46896 H2 TIP3 8532 59.550 49.907 51.834 1.00 0.00 WT3 H ATOM 46897 OH2 TIP3 8534 89.589 91.989 13.318 1.00 0.00 WT3 O ATOM 46898 H1 TIP3 8534 89.186 91.581 14.084 1.00 0.00 WT3 H ATOM 46899 H2 TIP3 8534 90.514 92.077 13.551 1.00 0.00 WT3 H ATOM 46900 OH2 TIP3 8535 22.593 32.728 -9.992 1.00 0.00 WT3 O ATOM 46901 H1 TIP3 8535 21.798 32.214 -9.847 1.00 0.00 WT3 H ATOM 46902 H2 TIP3 8535 22.280 33.625 -10.113 1.00 0.00 WT3 H ATOM 46903 OH2 TIP3 8536 33.989 82.922 -14.858 1.00 0.00 WT3 O ATOM 46904 H1 TIP3 8536 34.107 83.725 -14.351 1.00 0.00 WT3 H ATOM 46905 H2 TIP3 8536 34.776 82.861 -15.399 1.00 0.00 WT3 H ATOM 46906 OH2 TIP3 8538 28.161 95.670 -7.977 1.00 0.00 WT3 O ATOM 46907 H1 TIP3 8538 28.003 95.750 -7.037 1.00 0.00 WT3 H ATOM 46908 H2 TIP3 8538 28.285 94.732 -8.121 1.00 0.00 WT3 H ATOM 46909 OH2 TIP3 8539 84.831 4.508 -1.937 1.00 0.00 WT3 O ATOM 46910 H1 TIP3 8539 85.061 5.171 -1.286 1.00 0.00 WT3 H ATOM 46911 H2 TIP3 8539 85.031 4.918 -2.779 1.00 0.00 WT3 H ATOM 46912 OH2 TIP3 8541 81.995 66.744 64.168 1.00 0.00 WT3 O ATOM 46913 H1 TIP3 8541 82.231 66.774 63.241 1.00 0.00 WT3 H ATOM 46914 H2 TIP3 8541 81.074 66.484 64.172 1.00 0.00 WT3 H ATOM 46915 OH2 TIP3 8542 73.758 51.935 1.797 1.00 0.00 WT3 O ATOM 46916 H1 TIP3 8542 73.178 52.505 2.301 1.00 0.00 WT3 H ATOM 46917 H2 TIP3 8542 74.259 51.458 2.459 1.00 0.00 WT3 H ATOM 46918 OH2 TIP3 8543 24.821 91.564 32.005 1.00 0.00 WT3 O ATOM 46919 H1 TIP3 8543 25.725 91.362 32.246 1.00 0.00 WT3 H ATOM 46920 H2 TIP3 8543 24.853 91.715 31.060 1.00 0.00 WT3 H ATOM 46921 OH2 TIP3 8544 30.028 10.003 -5.513 1.00 0.00 WT3 O ATOM 46922 H1 TIP3 8544 29.197 9.711 -5.137 1.00 0.00 WT3 H ATOM 46923 H2 TIP3 8544 29.818 10.212 -6.423 1.00 0.00 WT3 H ATOM 46924 OH2 TIP3 8545 47.932 76.734 26.548 1.00 0.00 WT3 O ATOM 46925 H1 TIP3 8545 48.437 76.022 26.942 1.00 0.00 WT3 H ATOM 46926 H2 TIP3 8545 48.281 76.813 25.660 1.00 0.00 WT3 H ATOM 46927 OH2 TIP3 8546 53.756 62.123 4.314 1.00 0.00 WT3 O ATOM 46928 H1 TIP3 8546 54.475 61.695 3.849 1.00 0.00 WT3 H ATOM 46929 H2 TIP3 8546 53.414 62.763 3.689 1.00 0.00 WT3 H ATOM 46930 OH2 TIP3 8547 79.800 92.364 48.079 1.00 0.00 WT3 O ATOM 46931 H1 TIP3 8547 78.975 92.334 47.595 1.00 0.00 WT3 H ATOM 46932 H2 TIP3 8547 80.464 92.531 47.410 1.00 0.00 WT3 H ATOM 46933 OH2 TIP3 8548 70.346 71.618 52.067 1.00 0.00 WT3 O ATOM 46934 H1 TIP3 8548 69.588 71.471 51.502 1.00 0.00 WT3 H ATOM 46935 H2 TIP3 8548 70.721 72.442 51.755 1.00 0.00 WT3 H ATOM 46936 OH2 TIP3 8549 32.597 37.812 6.828 1.00 0.00 WT3 O ATOM 46937 H1 TIP3 8549 31.997 38.339 6.301 1.00 0.00 WT3 H ATOM 46938 H2 TIP3 8549 33.035 38.444 7.398 1.00 0.00 WT3 H ATOM 46939 OH2 TIP3 8550 58.942 95.257 8.127 1.00 0.00 WT3 O ATOM 46940 H1 TIP3 8550 59.799 95.650 7.967 1.00 0.00 WT3 H ATOM 46941 H2 TIP3 8550 59.104 94.314 8.112 1.00 0.00 WT3 H ATOM 46942 OH2 TIP3 8552 21.757 23.098 9.673 1.00 0.00 WT3 O ATOM 46943 H1 TIP3 8552 22.356 23.770 9.998 1.00 0.00 WT3 H ATOM 46944 H2 TIP3 8552 21.726 22.446 10.373 1.00 0.00 WT3 H ATOM 46945 OH2 TIP3 8554 32.941 93.589 23.114 1.00 0.00 WT3 O ATOM 46946 H1 TIP3 8554 33.834 93.796 22.840 1.00 0.00 WT3 H ATOM 46947 H2 TIP3 8554 33.038 92.846 23.709 1.00 0.00 WT3 H ATOM 46948 OH2 TIP3 8555 31.632 92.783 8.117 1.00 0.00 WT3 O ATOM 46949 H1 TIP3 8555 31.019 92.107 8.406 1.00 0.00 WT3 H ATOM 46950 H2 TIP3 8555 31.750 93.344 8.883 1.00 0.00 WT3 H ATOM 46951 OH2 TIP3 8556 34.265 15.407 26.839 1.00 0.00 WT3 O ATOM 46952 H1 TIP3 8556 34.869 15.862 26.252 1.00 0.00 WT3 H ATOM 46953 H2 TIP3 8556 33.975 16.081 27.454 1.00 0.00 WT3 H ATOM 46954 OH2 TIP3 8557 26.004 55.508 10.509 1.00 0.00 WT3 O ATOM 46955 H1 TIP3 8557 26.410 56.374 10.536 1.00 0.00 WT3 H ATOM 46956 H2 TIP3 8557 25.835 55.293 11.426 1.00 0.00 WT3 H ATOM 46957 OH2 TIP3 8558 80.706 91.727 26.319 1.00 0.00 WT3 O ATOM 46958 H1 TIP3 8558 80.175 92.404 25.899 1.00 0.00 WT3 H ATOM 46959 H2 TIP3 8558 80.697 90.997 25.699 1.00 0.00 WT3 H ATOM 46960 OH2 TIP3 8560 25.181 33.999 -11.127 1.00 0.00 WT3 O ATOM 46961 H1 TIP3 8560 25.249 34.946 -11.249 1.00 0.00 WT3 H ATOM 46962 H2 TIP3 8560 24.413 33.884 -10.567 1.00 0.00 WT3 H ATOM 46963 OH2 TIP3 8561 31.762 46.285 -10.634 1.00 0.00 WT3 O ATOM 46964 H1 TIP3 8561 30.996 45.918 -10.193 1.00 0.00 WT3 H ATOM 46965 H2 TIP3 8561 31.450 47.105 -11.015 1.00 0.00 WT3 H ATOM 46966 OH2 TIP3 8562 41.121 23.503 46.077 1.00 0.00 WT3 O ATOM 46967 H1 TIP3 8562 41.868 23.984 46.435 1.00 0.00 WT3 H ATOM 46968 H2 TIP3 8562 40.620 24.162 45.596 1.00 0.00 WT3 H ATOM 46969 OH2 TIP3 8564 33.664 77.459 -16.942 1.00 0.00 WT3 O ATOM 46970 H1 TIP3 8564 33.082 76.967 -17.521 1.00 0.00 WT3 H ATOM 46971 H2 TIP3 8564 33.074 77.935 -16.358 1.00 0.00 WT3 H ATOM 46972 OH2 TIP3 8565 47.093 80.293 45.363 1.00 0.00 WT3 O ATOM 46973 H1 TIP3 8565 47.446 80.215 46.249 1.00 0.00 WT3 H ATOM 46974 H2 TIP3 8565 47.524 81.067 45.001 1.00 0.00 WT3 H ATOM 46975 OH2 TIP3 8566 35.562 4.831 30.186 1.00 0.00 WT3 O ATOM 46976 H1 TIP3 8566 35.121 4.543 29.386 1.00 0.00 WT3 H ATOM 46977 H2 TIP3 8566 34.867 5.218 30.717 1.00 0.00 WT3 H ATOM 46978 OH2 TIP3 8567 25.267 42.656 -18.181 1.00 0.00 WT3 O ATOM 46979 H1 TIP3 8567 25.013 42.719 -17.260 1.00 0.00 WT3 H ATOM 46980 H2 TIP3 8567 25.508 41.737 -18.301 1.00 0.00 WT3 H ATOM 46981 OH2 TIP3 8571 77.005 80.849 -10.981 1.00 0.00 WT3 O ATOM 46982 H1 TIP3 8571 77.091 79.917 -11.181 1.00 0.00 WT3 H ATOM 46983 H2 TIP3 8571 76.340 80.885 -10.293 1.00 0.00 WT3 H ATOM 46984 OH2 TIP3 8573 67.497 78.205 61.447 1.00 0.00 WT3 O ATOM 46985 H1 TIP3 8573 66.980 79.010 61.414 1.00 0.00 WT3 H ATOM 46986 H2 TIP3 8573 68.387 78.498 61.642 1.00 0.00 WT3 H ATOM 46987 OH2 TIP3 8574 52.792 13.269 39.120 1.00 0.00 WT3 O ATOM 46988 H1 TIP3 8574 51.900 13.540 39.333 1.00 0.00 WT3 H ATOM 46989 H2 TIP3 8574 52.833 12.350 39.384 1.00 0.00 WT3 H ATOM 46990 OH2 TIP3 8577 38.237 32.874 -15.923 1.00 0.00 WT3 O ATOM 46991 H1 TIP3 8577 38.480 32.501 -15.076 1.00 0.00 WT3 H ATOM 46992 H2 TIP3 8577 38.926 33.510 -16.112 1.00 0.00 WT3 H ATOM 46993 OH2 TIP3 8579 63.062 18.449 39.976 1.00 0.00 WT3 O ATOM 46994 H1 TIP3 8579 62.855 18.297 40.898 1.00 0.00 WT3 H ATOM 46995 H2 TIP3 8579 62.230 18.713 39.584 1.00 0.00 WT3 H ATOM 46996 OH2 TIP3 8581 28.540 61.734 41.235 1.00 0.00 WT3 O ATOM 46997 H1 TIP3 8581 29.496 61.694 41.238 1.00 0.00 WT3 H ATOM 46998 H2 TIP3 8581 28.300 61.802 42.159 1.00 0.00 WT3 H ATOM 46999 OH2 TIP3 8582 47.347 2.387 38.344 1.00 0.00 WT3 O ATOM 47000 H1 TIP3 8582 47.903 1.887 37.746 1.00 0.00 WT3 H ATOM 47001 H2 TIP3 8582 47.592 2.078 39.216 1.00 0.00 WT3 H ATOM 47002 OH2 TIP3 8583 86.859 58.081 46.929 1.00 0.00 WT3 O ATOM 47003 H1 TIP3 8583 86.328 57.864 47.695 1.00 0.00 WT3 H ATOM 47004 H2 TIP3 8583 87.724 58.283 47.286 1.00 0.00 WT3 H ATOM 47005 OH2 TIP3 8584 27.975 54.766 -6.220 1.00 0.00 WT3 O ATOM 47006 H1 TIP3 8584 27.381 54.035 -6.051 1.00 0.00 WT3 H ATOM 47007 H2 TIP3 8584 28.519 54.471 -6.950 1.00 0.00 WT3 H ATOM 47008 OH2 TIP3 8585 69.131 45.664 22.375 1.00 0.00 WT3 O ATOM 47009 H1 TIP3 8585 69.506 46.545 22.377 1.00 0.00 WT3 H ATOM 47010 H2 TIP3 8585 68.185 45.805 22.386 1.00 0.00 WT3 H ATOM 47011 OH2 TIP3 8590 53.098 77.913 -20.155 1.00 0.00 WT3 O ATOM 47012 H1 TIP3 8590 53.578 78.442 -19.518 1.00 0.00 WT3 H ATOM 47013 H2 TIP3 8590 52.335 77.593 -19.674 1.00 0.00 WT3 H ATOM 47014 OH2 TIP3 8591 53.151 10.552 40.178 1.00 0.00 WT3 O ATOM 47015 H1 TIP3 8591 52.731 9.927 40.770 1.00 0.00 WT3 H ATOM 47016 H2 TIP3 8591 53.832 10.965 40.710 1.00 0.00 WT3 H ATOM 47017 OH2 TIP3 8594 83.202 5.246 -14.460 1.00 0.00 WT3 O ATOM 47018 H1 TIP3 8594 83.628 4.909 -15.248 1.00 0.00 WT3 H ATOM 47019 H2 TIP3 8594 83.078 6.179 -14.635 1.00 0.00 WT3 H ATOM 47020 OH2 TIP3 8598 75.928 65.517 9.468 1.00 0.00 WT3 O ATOM 47021 H1 TIP3 8598 75.119 65.260 9.910 1.00 0.00 WT3 H ATOM 47022 H2 TIP3 8598 76.276 66.232 10.000 1.00 0.00 WT3 H ATOM 47023 OH2 TIP3 8600 61.595 26.032 36.074 1.00 0.00 WT3 O ATOM 47024 H1 TIP3 8600 62.153 26.806 35.992 1.00 0.00 WT3 H ATOM 47025 H2 TIP3 8600 61.244 25.895 35.194 1.00 0.00 WT3 H ATOM 47026 OH2 TIP3 8602 65.325 28.186 14.082 1.00 0.00 WT3 O ATOM 47027 H1 TIP3 8602 64.913 29.028 13.889 1.00 0.00 WT3 H ATOM 47028 H2 TIP3 8602 66.215 28.270 13.738 1.00 0.00 WT3 H ATOM 47029 OH2 TIP3 8605 24.716 39.457 65.844 1.00 0.00 WT3 O ATOM 47030 H1 TIP3 8605 23.923 39.970 65.686 1.00 0.00 WT3 H ATOM 47031 H2 TIP3 8605 24.636 38.705 65.257 1.00 0.00 WT3 H ATOM 47032 OH2 TIP3 8614 89.118 23.518 45.638 1.00 0.00 WT3 O ATOM 47033 H1 TIP3 8614 88.669 23.152 46.400 1.00 0.00 WT3 H ATOM 47034 H2 TIP3 8614 89.103 22.815 44.990 1.00 0.00 WT3 H ATOM 47035 OH2 TIP3 8615 59.149 74.010 0.782 1.00 0.00 WT3 O ATOM 47036 H1 TIP3 8615 58.275 73.776 1.095 1.00 0.00 WT3 H ATOM 47037 H2 TIP3 8615 59.745 73.634 1.430 1.00 0.00 WT3 H ATOM 47038 OH2 TIP3 8621 83.431 78.449 53.457 1.00 0.00 WT3 O ATOM 47039 H1 TIP3 8621 83.587 78.203 54.368 1.00 0.00 WT3 H ATOM 47040 H2 TIP3 8621 84.172 79.011 53.229 1.00 0.00 WT3 H ATOM 47041 OH2 TIP3 8625 46.680 76.369 6.665 1.00 0.00 WT3 O ATOM 47042 H1 TIP3 8625 47.402 75.922 6.223 1.00 0.00 WT3 H ATOM 47043 H2 TIP3 8625 45.985 75.713 6.713 1.00 0.00 WT3 H ATOM 47044 OH2 TIP3 8627 66.507 84.868 7.110 1.00 0.00 WT3 O ATOM 47045 H1 TIP3 8627 66.426 84.234 6.397 1.00 0.00 WT3 H ATOM 47046 H2 TIP3 8627 65.621 84.942 7.467 1.00 0.00 WT3 H ATOM 47047 OH2 TIP3 8635 42.513 92.585 50.380 1.00 0.00 WT3 O ATOM 47048 H1 TIP3 8635 43.075 92.698 49.614 1.00 0.00 WT3 H ATOM 47049 H2 TIP3 8635 43.002 91.993 50.951 1.00 0.00 WT3 H ATOM 47050 OH2 TIP3 8637 79.204 9.975 37.257 1.00 0.00 WT3 O ATOM 47051 H1 TIP3 8637 78.950 10.247 38.139 1.00 0.00 WT3 H ATOM 47052 H2 TIP3 8637 78.393 10.017 36.750 1.00 0.00 WT3 H ATOM 47053 OH2 TIP3 8638 28.425 42.361 32.743 1.00 0.00 WT3 O ATOM 47054 H1 TIP3 8638 28.787 42.961 32.091 1.00 0.00 WT3 H ATOM 47055 H2 TIP3 8638 27.476 42.431 32.633 1.00 0.00 WT3 H ATOM 47056 OH2 TIP3 8640 73.614 18.366 35.227 1.00 0.00 WT3 O ATOM 47057 H1 TIP3 8640 72.923 18.681 34.644 1.00 0.00 WT3 H ATOM 47058 H2 TIP3 8640 73.299 17.516 35.534 1.00 0.00 WT3 H ATOM 47059 OH2 TIP3 8645 73.595 67.127 -15.181 1.00 0.00 WT3 O ATOM 47060 H1 TIP3 8645 73.872 67.848 -14.615 1.00 0.00 WT3 H ATOM 47061 H2 TIP3 8645 74.412 66.761 -15.521 1.00 0.00 WT3 H ATOM 47062 OH2 TIP3 8647 57.369 0.874 30.282 1.00 0.00 WT3 O ATOM 47063 H1 TIP3 8647 56.817 0.105 30.419 1.00 0.00 WT3 H ATOM 47064 H2 TIP3 8647 57.780 1.030 31.132 1.00 0.00 WT3 H ATOM 47065 OH2 TIP3 8649 21.747 39.772 9.115 1.00 0.00 WT3 O ATOM 47066 H1 TIP3 8649 21.736 40.101 8.216 1.00 0.00 WT3 H ATOM 47067 H2 TIP3 8649 21.071 40.280 9.565 1.00 0.00 WT3 H ATOM 47068 OH2 TIP3 8669 37.518 6.676 64.422 1.00 0.00 WT3 O ATOM 47069 H1 TIP3 8669 38.145 5.988 64.646 1.00 0.00 WT3 H ATOM 47070 H2 TIP3 8669 36.789 6.543 65.028 1.00 0.00 WT3 H ATOM 47071 OH2 TIP3 8753 20.573 55.370 39.558 1.00 0.00 WT3 O ATOM 47072 H1 TIP3 8753 21.468 55.703 39.633 1.00 0.00 WT3 H ATOM 47073 H2 TIP3 8753 20.267 55.301 40.462 1.00 0.00 WT3 H ATOM 47074 OH2 TIP3 8760 45.623 91.367 -17.803 1.00 0.00 WT3 O ATOM 47075 H1 TIP3 8760 46.269 91.036 -18.427 1.00 0.00 WT3 H ATOM 47076 H2 TIP3 8760 45.384 90.603 -17.277 1.00 0.00 WT3 H ATOM 47077 OH2 TIP3 8762 62.527 21.439 47.645 1.00 0.00 WT3 O ATOM 47078 H1 TIP3 8762 61.987 21.976 47.064 1.00 0.00 WT3 H ATOM 47079 H2 TIP3 8762 63.192 21.059 47.071 1.00 0.00 WT3 H ATOM 47080 OH2 TIP3 8777 47.172 70.016 1.586 1.00 0.00 WT3 O ATOM 47081 H1 TIP3 8777 47.177 69.467 2.370 1.00 0.00 WT3 H ATOM 47082 H2 TIP3 8777 47.697 69.531 0.950 1.00 0.00 WT3 H ATOM 47083 OH2 TIP3 8779 34.547 59.931 -6.659 1.00 0.00 WT3 O ATOM 47084 H1 TIP3 8779 35.277 60.484 -6.378 1.00 0.00 WT3 H ATOM 47085 H2 TIP3 8779 33.824 60.542 -6.801 1.00 0.00 WT3 H ATOM 47086 OH2 TIP3 8780 52.320 72.648 -10.349 1.00 0.00 WT3 O ATOM 47087 H1 TIP3 8780 51.595 72.064 -10.128 1.00 0.00 WT3 H ATOM 47088 H2 TIP3 8780 52.841 72.698 -9.548 1.00 0.00 WT3 H ATOM 47089 OH2 TIP3 8782 75.107 92.592 49.635 1.00 0.00 WT3 O ATOM 47090 H1 TIP3 8782 75.963 92.300 49.949 1.00 0.00 WT3 H ATOM 47091 H2 TIP3 8782 74.769 91.849 49.134 1.00 0.00 WT3 H ATOM 47092 OH2 TIP3 8790 66.755 39.899 38.418 1.00 0.00 WT3 O ATOM 47093 H1 TIP3 8790 67.663 40.165 38.275 1.00 0.00 WT3 H ATOM 47094 H2 TIP3 8790 66.433 40.499 39.091 1.00 0.00 WT3 H ATOM 47095 OH2 TIP3 8792 56.462 2.165 0.893 1.00 0.00 WT3 O ATOM 47096 H1 TIP3 8792 56.270 1.749 1.733 1.00 0.00 WT3 H ATOM 47097 H2 TIP3 8792 55.977 2.990 0.917 1.00 0.00 WT3 H ATOM 47098 OH2 TIP3 8794 22.357 10.800 -16.959 1.00 0.00 WT3 O ATOM 47099 H1 TIP3 8794 22.851 11.100 -17.722 1.00 0.00 WT3 H ATOM 47100 H2 TIP3 8794 22.968 10.235 -16.485 1.00 0.00 WT3 H ATOM 47101 OH2 TIP3 8799 28.594 96.269 -4.890 1.00 0.00 WT3 O ATOM 47102 H1 TIP3 8799 29.046 96.509 -4.082 1.00 0.00 WT3 H ATOM 47103 H2 TIP3 8799 27.676 96.485 -4.726 1.00 0.00 WT3 H ATOM 47104 OH2 TIP3 8801 83.572 40.744 13.470 1.00 0.00 WT3 O ATOM 47105 H1 TIP3 8801 83.227 39.851 13.446 1.00 0.00 WT3 H ATOM 47106 H2 TIP3 8801 83.445 41.026 14.376 1.00 0.00 WT3 H ATOM 47107 OH2 TIP3 8802 54.194 44.835 56.550 1.00 0.00 WT3 O ATOM 47108 H1 TIP3 8802 54.297 45.441 57.283 1.00 0.00 WT3 H ATOM 47109 H2 TIP3 8802 54.267 45.386 55.771 1.00 0.00 WT3 H ATOM 47110 OH2 TIP3 8803 26.330 69.884 -6.310 1.00 0.00 WT3 O ATOM 47111 H1 TIP3 8803 25.951 69.606 -5.476 1.00 0.00 WT3 H ATOM 47112 H2 TIP3 8803 27.186 69.457 -6.338 1.00 0.00 WT3 H ATOM 47113 OH2 TIP3 8807 57.847 86.715 -4.295 1.00 0.00 WT3 O ATOM 47114 H1 TIP3 8807 57.865 85.785 -4.071 1.00 0.00 WT3 H ATOM 47115 H2 TIP3 8807 56.971 86.859 -4.652 1.00 0.00 WT3 H ATOM 47116 OH2 TIP3 8813 32.937 94.899 65.710 1.00 0.00 WT3 O ATOM 47117 H1 TIP3 8813 33.008 95.363 64.876 1.00 0.00 WT3 H ATOM 47118 H2 TIP3 8813 33.216 94.005 65.511 1.00 0.00 WT3 H ATOM 47119 OH2 TIP3 8816 89.247 66.678 -13.379 1.00 0.00 WT3 O ATOM 47120 H1 TIP3 8816 88.694 67.390 -13.057 1.00 0.00 WT3 H ATOM 47121 H2 TIP3 8816 88.656 65.929 -13.452 1.00 0.00 WT3 H ATOM 47122 OH2 TIP3 8820 83.738 68.252 -9.893 1.00 0.00 WT3 O ATOM 47123 H1 TIP3 8820 84.177 68.778 -10.560 1.00 0.00 WT3 H ATOM 47124 H2 TIP3 8820 82.824 68.534 -9.927 1.00 0.00 WT3 H ATOM 47125 OH2 TIP3 8822 75.412 8.180 51.218 1.00 0.00 WT3 O ATOM 47126 H1 TIP3 8822 75.983 8.795 50.756 1.00 0.00 WT3 H ATOM 47127 H2 TIP3 8822 75.780 7.318 51.024 1.00 0.00 WT3 H ATOM 47128 OH2 TIP3 8823 67.037 75.550 41.718 1.00 0.00 WT3 O ATOM 47129 H1 TIP3 8823 67.934 75.752 41.984 1.00 0.00 WT3 H ATOM 47130 H2 TIP3 8823 66.618 76.404 41.620 1.00 0.00 WT3 H ATOM 47131 OH2 TIP3 8824 28.292 55.401 24.145 1.00 0.00 WT3 O ATOM 47132 H1 TIP3 8824 27.450 55.427 23.690 1.00 0.00 WT3 H ATOM 47133 H2 TIP3 8824 28.360 56.255 24.572 1.00 0.00 WT3 H ATOM 47134 OH2 TIP3 8829 88.168 30.857 -14.298 1.00 0.00 WT3 O ATOM 47135 H1 TIP3 8829 88.806 31.552 -14.461 1.00 0.00 WT3 H ATOM 47136 H2 TIP3 8829 87.452 31.041 -14.907 1.00 0.00 WT3 H ATOM 47137 OH2 TIP3 8830 83.320 77.714 -8.280 1.00 0.00 WT3 O ATOM 47138 H1 TIP3 8830 83.489 77.721 -7.338 1.00 0.00 WT3 H ATOM 47139 H2 TIP3 8830 82.377 77.564 -8.354 1.00 0.00 WT3 H ATOM 47140 OH2 TIP3 8831 73.018 74.920 13.716 1.00 0.00 WT3 O ATOM 47141 H1 TIP3 8831 73.243 75.606 13.087 1.00 0.00 WT3 H ATOM 47142 H2 TIP3 8831 72.489 74.299 13.215 1.00 0.00 WT3 H ATOM 47143 OH2 TIP3 8833 66.540 75.565 22.683 1.00 0.00 WT3 O ATOM 47144 H1 TIP3 8833 66.880 74.812 23.167 1.00 0.00 WT3 H ATOM 47145 H2 TIP3 8833 67.316 75.978 22.305 1.00 0.00 WT3 H ATOM 47146 OH2 TIP3 8836 63.396 16.266 13.601 1.00 0.00 WT3 O ATOM 47147 H1 TIP3 8836 62.999 16.476 12.756 1.00 0.00 WT3 H ATOM 47148 H2 TIP3 8836 62.683 16.366 14.232 1.00 0.00 WT3 H ATOM 47149 OH2 TIP3 8837 42.738 32.328 54.297 1.00 0.00 WT3 O ATOM 47150 H1 TIP3 8837 43.069 32.278 55.194 1.00 0.00 WT3 H ATOM 47151 H2 TIP3 8837 42.421 33.227 54.209 1.00 0.00 WT3 H ATOM 47152 OH2 TIP3 8838 39.378 39.858 40.205 1.00 0.00 WT3 O ATOM 47153 H1 TIP3 8838 39.188 40.281 39.368 1.00 0.00 WT3 H ATOM 47154 H2 TIP3 8838 39.144 38.940 40.069 1.00 0.00 WT3 H ATOM 47155 OH2 TIP3 8840 27.648 17.561 65.346 1.00 0.00 WT3 O ATOM 47156 H1 TIP3 8840 28.106 17.230 66.118 1.00 0.00 WT3 H ATOM 47157 H2 TIP3 8840 27.928 18.474 65.274 1.00 0.00 WT3 H ATOM 47158 OH2 TIP3 8842 35.246 0.942 -13.224 1.00 0.00 WT3 O ATOM 47159 H1 TIP3 8842 34.703 1.060 -12.444 1.00 0.00 WT3 H ATOM 47160 H2 TIP3 8842 35.675 1.789 -13.347 1.00 0.00 WT3 H ATOM 47161 OH2 TIP3 8843 51.456 75.552 54.075 1.00 0.00 WT3 O ATOM 47162 H1 TIP3 8843 51.676 75.240 53.197 1.00 0.00 WT3 H ATOM 47163 H2 TIP3 8843 51.550 74.780 54.634 1.00 0.00 WT3 H ATOM 47164 OH2 TIP3 8844 74.912 23.118 63.018 1.00 0.00 WT3 O ATOM 47165 H1 TIP3 8844 75.326 22.256 63.066 1.00 0.00 WT3 H ATOM 47166 H2 TIP3 8844 73.976 22.931 62.957 1.00 0.00 WT3 H ATOM 47167 OH2 TIP3 8845 48.708 26.422 50.302 1.00 0.00 WT3 O ATOM 47168 H1 TIP3 8845 48.250 25.840 50.908 1.00 0.00 WT3 H ATOM 47169 H2 TIP3 8845 48.062 27.092 50.078 1.00 0.00 WT3 H ATOM 47170 OH2 TIP3 8846 59.181 55.829 -15.741 1.00 0.00 WT3 O ATOM 47171 H1 TIP3 8846 59.371 54.986 -15.330 1.00 0.00 WT3 H ATOM 47172 H2 TIP3 8846 59.949 56.368 -15.551 1.00 0.00 WT3 H ATOM 47173 OH2 TIP3 8847 87.554 19.643 -12.608 1.00 0.00 WT3 O ATOM 47174 H1 TIP3 8847 87.168 20.450 -12.266 1.00 0.00 WT3 H ATOM 47175 H2 TIP3 8847 86.930 18.958 -12.368 1.00 0.00 WT3 H ATOM 47176 OH2 TIP3 8848 41.561 53.957 -16.883 1.00 0.00 WT3 O ATOM 47177 H1 TIP3 8848 41.132 53.764 -17.717 1.00 0.00 WT3 H ATOM 47178 H2 TIP3 8848 41.040 54.664 -16.502 1.00 0.00 WT3 H ATOM 47179 OH2 TIP3 8849 66.816 55.695 52.419 1.00 0.00 WT3 O ATOM 47180 H1 TIP3 8849 66.148 55.010 52.386 1.00 0.00 WT3 H ATOM 47181 H2 TIP3 8849 67.644 55.228 52.303 1.00 0.00 WT3 H ATOM 47182 OH2 TIP3 8852 48.788 61.353 50.820 1.00 0.00 WT3 O ATOM 47183 H1 TIP3 8852 48.737 61.295 49.866 1.00 0.00 WT3 H ATOM 47184 H2 TIP3 8852 49.720 61.253 51.018 1.00 0.00 WT3 H ATOM 47185 OH2 TIP3 8855 27.188 73.203 38.811 1.00 0.00 WT3 O ATOM 47186 H1 TIP3 8855 27.874 73.036 39.456 1.00 0.00 WT3 H ATOM 47187 H2 TIP3 8855 26.432 73.479 39.329 1.00 0.00 WT3 H ATOM 47188 OH2 TIP3 8856 63.907 65.746 62.788 1.00 0.00 WT3 O ATOM 47189 H1 TIP3 8856 64.782 65.936 62.448 1.00 0.00 WT3 H ATOM 47190 H2 TIP3 8856 63.739 66.445 63.420 1.00 0.00 WT3 H ATOM 47191 OH2 TIP3 8857 55.249 3.343 32.915 1.00 0.00 WT3 O ATOM 47192 H1 TIP3 8857 55.672 4.022 32.390 1.00 0.00 WT3 H ATOM 47193 H2 TIP3 8857 54.593 2.962 32.332 1.00 0.00 WT3 H ATOM 47194 OH2 TIP3 8859 62.039 31.035 8.045 1.00 0.00 WT3 O ATOM 47195 H1 TIP3 8859 62.140 30.420 7.319 1.00 0.00 WT3 H ATOM 47196 H2 TIP3 8859 61.209 30.790 8.453 1.00 0.00 WT3 H ATOM 47197 OH2 TIP3 8861 23.950 55.320 65.933 1.00 0.00 WT3 O ATOM 47198 H1 TIP3 8861 24.611 55.651 66.541 1.00 0.00 WT3 H ATOM 47199 H2 TIP3 8861 23.788 56.050 65.335 1.00 0.00 WT3 H ATOM 47200 OH2 TIP3 8863 27.098 90.049 58.807 1.00 0.00 WT3 O ATOM 47201 H1 TIP3 8863 26.521 89.536 58.242 1.00 0.00 WT3 H ATOM 47202 H2 TIP3 8863 26.701 90.920 58.828 1.00 0.00 WT3 H ATOM 47203 OH2 TIP3 8864 82.121 79.816 -13.687 1.00 0.00 WT3 O ATOM 47204 H1 TIP3 8864 81.341 79.459 -14.112 1.00 0.00 WT3 H ATOM 47205 H2 TIP3 8864 81.898 79.838 -12.757 1.00 0.00 WT3 H ATOM 47206 OH2 TIP3 8865 33.107 45.462 2.164 1.00 0.00 WT3 O ATOM 47207 H1 TIP3 8865 33.119 44.689 1.599 1.00 0.00 WT3 H ATOM 47208 H2 TIP3 8865 32.276 45.402 2.635 1.00 0.00 WT3 H ATOM 47209 OH2 TIP3 8866 45.232 14.389 -8.761 1.00 0.00 WT3 O ATOM 47210 H1 TIP3 8866 46.094 14.277 -9.162 1.00 0.00 WT3 H ATOM 47211 H2 TIP3 8866 45.146 15.334 -8.636 1.00 0.00 WT3 H ATOM 47212 OH2 TIP3 8867 40.441 44.816 33.523 1.00 0.00 WT3 O ATOM 47213 H1 TIP3 8867 41.254 44.592 33.070 1.00 0.00 WT3 H ATOM 47214 H2 TIP3 8867 40.169 45.646 33.132 1.00 0.00 WT3 H ATOM 47215 OH2 TIP3 8869 54.919 85.861 47.429 1.00 0.00 WT3 O ATOM 47216 H1 TIP3 8869 54.005 86.141 47.470 1.00 0.00 WT3 H ATOM 47217 H2 TIP3 8869 55.219 86.143 46.565 1.00 0.00 WT3 H ATOM 47218 OH2 TIP3 8870 89.134 73.787 -16.868 1.00 0.00 WT3 O ATOM 47219 H1 TIP3 8870 89.284 74.539 -16.296 1.00 0.00 WT3 H ATOM 47220 H2 TIP3 8870 89.260 73.025 -16.302 1.00 0.00 WT3 H ATOM 47221 OH2 TIP3 8871 67.706 61.053 -2.795 1.00 0.00 WT3 O ATOM 47222 H1 TIP3 8871 66.933 60.708 -3.243 1.00 0.00 WT3 H ATOM 47223 H2 TIP3 8871 67.475 61.030 -1.867 1.00 0.00 WT3 H ATOM 47224 OH2 TIP3 8878 43.955 57.807 49.710 1.00 0.00 WT3 O ATOM 47225 H1 TIP3 8878 44.175 58.727 49.566 1.00 0.00 WT3 H ATOM 47226 H2 TIP3 8878 44.781 57.340 49.587 1.00 0.00 WT3 H ATOM 47227 OH2 TIP3 8879 82.637 36.287 55.543 1.00 0.00 WT3 O ATOM 47228 H1 TIP3 8879 83.572 36.488 55.509 1.00 0.00 WT3 H ATOM 47229 H2 TIP3 8879 82.294 36.859 56.229 1.00 0.00 WT3 H ATOM 47230 OH2 TIP3 8881 22.996 55.914 0.395 1.00 0.00 WT3 O ATOM 47231 H1 TIP3 8881 23.744 55.416 0.064 1.00 0.00 WT3 H ATOM 47232 H2 TIP3 8881 22.824 55.543 1.260 1.00 0.00 WT3 H ATOM 47233 OH2 TIP3 8882 72.961 43.428 48.820 1.00 0.00 WT3 O ATOM 47234 H1 TIP3 8882 73.733 42.891 49.000 1.00 0.00 WT3 H ATOM 47235 H2 TIP3 8882 73.129 43.809 47.958 1.00 0.00 WT3 H ATOM 47236 OH2 TIP3 8883 65.660 39.075 9.467 1.00 0.00 WT3 O ATOM 47237 H1 TIP3 8883 65.833 40.016 9.495 1.00 0.00 WT3 H ATOM 47238 H2 TIP3 8883 64.765 39.005 9.136 1.00 0.00 WT3 H ATOM 47239 OH2 TIP3 8884 31.363 30.377 -0.003 1.00 0.00 WT3 O ATOM 47240 H1 TIP3 8884 31.854 30.009 0.732 1.00 0.00 WT3 H ATOM 47241 H2 TIP3 8884 31.201 31.286 0.248 1.00 0.00 WT3 H ATOM 47242 OH2 TIP3 8885 67.211 84.993 22.539 1.00 0.00 WT3 O ATOM 47243 H1 TIP3 8885 67.061 84.174 22.067 1.00 0.00 WT3 H ATOM 47244 H2 TIP3 8885 66.387 85.473 22.456 1.00 0.00 WT3 H ATOM 47245 OH2 TIP3 8886 62.596 49.158 -14.577 1.00 0.00 WT3 O ATOM 47246 H1 TIP3 8886 62.774 49.949 -14.068 1.00 0.00 WT3 H ATOM 47247 H2 TIP3 8886 62.539 48.460 -13.924 1.00 0.00 WT3 H ATOM 47248 OH2 TIP3 8887 21.936 3.603 -16.605 1.00 0.00 WT3 O ATOM 47249 H1 TIP3 8887 21.502 4.385 -16.946 1.00 0.00 WT3 H ATOM 47250 H2 TIP3 8887 21.227 2.975 -16.469 1.00 0.00 WT3 H ATOM 47251 OH2 TIP3 8888 38.480 37.878 -5.117 1.00 0.00 WT3 O ATOM 47252 H1 TIP3 8888 39.111 37.240 -5.451 1.00 0.00 WT3 H ATOM 47253 H2 TIP3 8888 38.850 38.167 -4.283 1.00 0.00 WT3 H ATOM 47254 OH2 TIP3 8893 42.984 52.818 -19.683 1.00 0.00 WT3 O ATOM 47255 H1 TIP3 8893 43.779 52.492 -19.260 1.00 0.00 WT3 H ATOM 47256 H2 TIP3 8893 43.300 53.302 -20.445 1.00 0.00 WT3 H ATOM 47257 OH2 TIP3 8894 42.595 86.037 21.011 1.00 0.00 WT3 O ATOM 47258 H1 TIP3 8894 42.704 85.688 21.895 1.00 0.00 WT3 H ATOM 47259 H2 TIP3 8894 42.280 85.294 20.497 1.00 0.00 WT3 H ATOM 47260 OH2 TIP3 8895 78.247 58.749 -18.329 1.00 0.00 WT3 O ATOM 47261 H1 TIP3 8895 78.007 59.092 -17.468 1.00 0.00 WT3 H ATOM 47262 H2 TIP3 8895 79.176 58.531 -18.250 1.00 0.00 WT3 H ATOM 47263 OH2 TIP3 8896 28.254 92.534 67.342 1.00 0.00 WT3 O ATOM 47264 H1 TIP3 8896 27.641 92.366 66.627 1.00 0.00 WT3 H ATOM 47265 H2 TIP3 8896 28.986 91.940 67.175 1.00 0.00 WT3 H ATOM 47266 OH2 TIP3 8897 84.488 11.860 -12.508 1.00 0.00 WT3 O ATOM 47267 H1 TIP3 8897 85.376 11.504 -12.509 1.00 0.00 WT3 H ATOM 47268 H2 TIP3 8897 84.569 12.708 -12.072 1.00 0.00 WT3 H ATOM 47269 OH2 TIP3 8898 33.162 69.448 55.625 1.00 0.00 WT3 O ATOM 47270 H1 TIP3 8898 33.292 68.553 55.310 1.00 0.00 WT3 H ATOM 47271 H2 TIP3 8898 32.455 69.794 55.081 1.00 0.00 WT3 H ATOM 47272 OH2 TIP3 8899 65.840 37.879 61.072 1.00 0.00 WT3 O ATOM 47273 H1 TIP3 8899 66.613 37.325 61.179 1.00 0.00 WT3 H ATOM 47274 H2 TIP3 8899 65.962 38.587 61.704 1.00 0.00 WT3 H ATOM 47275 OH2 TIP3 8900 51.844 89.581 53.185 1.00 0.00 WT3 O ATOM 47276 H1 TIP3 8900 52.150 89.267 52.334 1.00 0.00 WT3 H ATOM 47277 H2 TIP3 8900 51.104 90.152 52.979 1.00 0.00 WT3 H ATOM 47278 OH2 TIP3 8901 34.214 9.522 3.197 1.00 0.00 WT3 O ATOM 47279 H1 TIP3 8901 34.540 8.987 2.473 1.00 0.00 WT3 H ATOM 47280 H2 TIP3 8901 34.028 8.893 3.894 1.00 0.00 WT3 H ATOM 47281 OH2 TIP3 8902 49.409 39.676 29.278 1.00 0.00 WT3 O ATOM 47282 H1 TIP3 8902 49.237 40.594 29.068 1.00 0.00 WT3 H ATOM 47283 H2 TIP3 8902 49.948 39.361 28.553 1.00 0.00 WT3 H ATOM 47284 OH2 TIP3 8903 70.397 39.469 -4.284 1.00 0.00 WT3 O ATOM 47285 H1 TIP3 8903 70.950 40.135 -3.875 1.00 0.00 WT3 H ATOM 47286 H2 TIP3 8903 69.534 39.878 -4.345 1.00 0.00 WT3 H ATOM 47287 OH2 TIP3 8904 84.524 64.555 50.025 1.00 0.00 WT3 O ATOM 47288 H1 TIP3 8904 84.767 63.782 49.516 1.00 0.00 WT3 H ATOM 47289 H2 TIP3 8904 83.574 64.491 50.119 1.00 0.00 WT3 H ATOM 47290 OH2 TIP3 8905 77.556 2.850 10.973 1.00 0.00 WT3 O ATOM 47291 H1 TIP3 8905 76.663 2.751 11.302 1.00 0.00 WT3 H ATOM 47292 H2 TIP3 8905 78.096 2.356 11.589 1.00 0.00 WT3 H ATOM 47293 OH2 TIP3 8907 82.858 51.560 -4.763 1.00 0.00 WT3 O ATOM 47294 H1 TIP3 8907 83.191 51.418 -3.877 1.00 0.00 WT3 H ATOM 47295 H2 TIP3 8907 83.177 50.808 -5.263 1.00 0.00 WT3 H ATOM 47296 OH2 TIP3 8910 56.902 72.866 2.333 1.00 0.00 WT3 O ATOM 47297 H1 TIP3 8910 56.329 72.171 2.656 1.00 0.00 WT3 H ATOM 47298 H2 TIP3 8910 57.294 73.240 3.123 1.00 0.00 WT3 H ATOM 47299 OH2 TIP3 8911 80.374 26.638 3.789 1.00 0.00 WT3 O ATOM 47300 H1 TIP3 8911 81.121 26.052 3.668 1.00 0.00 WT3 H ATOM 47301 H2 TIP3 8911 79.795 26.168 4.389 1.00 0.00 WT3 H ATOM 47302 OH2 TIP3 8912 73.135 21.214 -18.601 1.00 0.00 WT3 O ATOM 47303 H1 TIP3 8912 73.555 21.686 -19.320 1.00 0.00 WT3 H ATOM 47304 H2 TIP3 8912 73.681 20.439 -18.471 1.00 0.00 WT3 H ATOM 47305 OH2 TIP3 8913 47.936 58.554 -14.555 1.00 0.00 WT3 O ATOM 47306 H1 TIP3 8913 47.731 59.190 -13.870 1.00 0.00 WT3 H ATOM 47307 H2 TIP3 8913 48.110 59.085 -15.332 1.00 0.00 WT3 H ATOM 47308 OH2 TIP3 8914 66.868 93.483 -9.405 1.00 0.00 WT3 O ATOM 47309 H1 TIP3 8914 66.093 93.287 -9.931 1.00 0.00 WT3 H ATOM 47310 H2 TIP3 8914 66.614 93.258 -8.510 1.00 0.00 WT3 H ATOM 47311 OH2 TIP3 8915 23.907 78.388 12.206 1.00 0.00 WT3 O ATOM 47312 H1 TIP3 8915 23.233 78.974 12.550 1.00 0.00 WT3 H ATOM 47313 H2 TIP3 8915 24.619 78.971 11.942 1.00 0.00 WT3 H ATOM 47314 OH2 TIP3 8917 75.375 79.917 51.509 1.00 0.00 WT3 O ATOM 47315 H1 TIP3 8917 74.564 79.653 51.943 1.00 0.00 WT3 H ATOM 47316 H2 TIP3 8917 76.066 79.678 52.127 1.00 0.00 WT3 H ATOM 47317 OH2 TIP3 8918 83.408 78.494 29.445 1.00 0.00 WT3 O ATOM 47318 H1 TIP3 8918 82.890 77.691 29.479 1.00 0.00 WT3 H ATOM 47319 H2 TIP3 8918 82.767 79.188 29.293 1.00 0.00 WT3 H ATOM 47320 OH2 TIP3 8919 33.127 76.084 2.210 1.00 0.00 WT3 O ATOM 47321 H1 TIP3 8919 32.684 76.927 2.120 1.00 0.00 WT3 H ATOM 47322 H2 TIP3 8919 33.241 75.775 1.311 1.00 0.00 WT3 H ATOM 47323 OH2 TIP3 8920 32.358 61.031 45.361 1.00 0.00 WT3 O ATOM 47324 H1 TIP3 8920 32.142 60.155 45.680 1.00 0.00 WT3 H ATOM 47325 H2 TIP3 8920 33.071 60.890 44.738 1.00 0.00 WT3 H ATOM 47326 OH2 TIP3 8921 36.471 56.061 30.735 1.00 0.00 WT3 O ATOM 47327 H1 TIP3 8921 36.991 56.856 30.616 1.00 0.00 WT3 H ATOM 47328 H2 TIP3 8921 35.752 56.149 30.109 1.00 0.00 WT3 H ATOM 47329 OH2 TIP3 8922 39.357 64.155 35.214 1.00 0.00 WT3 O ATOM 47330 H1 TIP3 8922 40.179 64.288 35.685 1.00 0.00 WT3 H ATOM 47331 H2 TIP3 8922 39.308 64.890 34.603 1.00 0.00 WT3 H ATOM 47332 OH2 TIP3 8923 25.640 80.120 42.351 1.00 0.00 WT3 O ATOM 47333 H1 TIP3 8923 25.246 79.561 41.681 1.00 0.00 WT3 H ATOM 47334 H2 TIP3 8923 26.573 79.908 42.324 1.00 0.00 WT3 H ATOM 47335 OH2 TIP3 8924 40.287 80.653 -15.010 1.00 0.00 WT3 O ATOM 47336 H1 TIP3 8924 40.509 79.844 -15.472 1.00 0.00 WT3 H ATOM 47337 H2 TIP3 8924 39.953 80.361 -14.162 1.00 0.00 WT3 H ATOM 47338 OH2 TIP3 8926 28.008 92.130 2.697 1.00 0.00 WT3 O ATOM 47339 H1 TIP3 8926 28.908 92.119 3.023 1.00 0.00 WT3 H ATOM 47340 H2 TIP3 8926 27.999 92.827 2.041 1.00 0.00 WT3 H ATOM 47341 OH2 TIP3 8927 85.792 40.088 -9.009 1.00 0.00 WT3 O ATOM 47342 H1 TIP3 8927 86.156 40.828 -8.522 1.00 0.00 WT3 H ATOM 47343 H2 TIP3 8927 86.114 40.208 -9.902 1.00 0.00 WT3 H ATOM 47344 OH2 TIP3 8928 45.483 76.405 -18.691 1.00 0.00 WT3 O ATOM 47345 H1 TIP3 8928 45.715 77.267 -19.036 1.00 0.00 WT3 H ATOM 47346 H2 TIP3 8928 46.304 75.913 -18.702 1.00 0.00 WT3 H ATOM 47347 OH2 TIP3 8929 61.228 33.514 16.143 1.00 0.00 WT3 O ATOM 47348 H1 TIP3 8929 60.847 32.940 16.808 1.00 0.00 WT3 H ATOM 47349 H2 TIP3 8929 60.746 33.307 15.342 1.00 0.00 WT3 H ATOM 47350 OH2 TIP3 8930 33.643 80.099 34.224 1.00 0.00 WT3 O ATOM 47351 H1 TIP3 8930 34.229 80.836 34.395 1.00 0.00 WT3 H ATOM 47352 H2 TIP3 8930 33.625 80.022 33.271 1.00 0.00 WT3 H ATOM 47353 OH2 TIP3 8931 56.669 49.486 56.583 1.00 0.00 WT3 O ATOM 47354 H1 TIP3 8931 56.060 49.393 55.850 1.00 0.00 WT3 H ATOM 47355 H2 TIP3 8931 57.488 49.774 56.180 1.00 0.00 WT3 H ATOM 47356 OH2 TIP3 8932 42.105 92.061 25.153 1.00 0.00 WT3 O ATOM 47357 H1 TIP3 8932 41.657 92.223 25.983 1.00 0.00 WT3 H ATOM 47358 H2 TIP3 8932 41.556 91.416 24.706 1.00 0.00 WT3 H ATOM 47359 OH2 TIP3 8933 43.230 26.680 32.375 1.00 0.00 WT3 O ATOM 47360 H1 TIP3 8933 42.612 26.169 31.852 1.00 0.00 WT3 H ATOM 47361 H2 TIP3 8933 44.070 26.237 32.254 1.00 0.00 WT3 H ATOM 47362 OH2 TIP3 8934 69.339 92.255 24.472 1.00 0.00 WT3 O ATOM 47363 H1 TIP3 8934 68.719 91.548 24.293 1.00 0.00 WT3 H ATOM 47364 H2 TIP3 8934 69.304 92.808 23.691 1.00 0.00 WT3 H ATOM 47365 OH2 TIP3 8935 34.014 56.063 -3.212 1.00 0.00 WT3 O ATOM 47366 H1 TIP3 8935 33.602 55.500 -2.557 1.00 0.00 WT3 H ATOM 47367 H2 TIP3 8935 34.776 55.566 -3.511 1.00 0.00 WT3 H ATOM 47368 OH2 TIP3 8936 55.508 84.515 65.875 1.00 0.00 WT3 O ATOM 47369 H1 TIP3 8936 54.874 83.800 65.937 1.00 0.00 WT3 H ATOM 47370 H2 TIP3 8936 54.973 85.310 65.876 1.00 0.00 WT3 H ATOM 47371 OH2 TIP3 8937 77.367 13.318 42.445 1.00 0.00 WT3 O ATOM 47372 H1 TIP3 8937 77.402 13.375 41.490 1.00 0.00 WT3 H ATOM 47373 H2 TIP3 8937 76.432 13.295 42.649 1.00 0.00 WT3 H ATOM 47374 OH2 TIP3 8938 24.087 30.825 47.983 1.00 0.00 WT3 O ATOM 47375 H1 TIP3 8938 23.682 31.084 47.155 1.00 0.00 WT3 H ATOM 47376 H2 TIP3 8938 23.755 29.942 48.146 1.00 0.00 WT3 H ATOM 47377 OH2 TIP3 8939 42.065 1.424 10.440 1.00 0.00 WT3 O ATOM 47378 H1 TIP3 8939 42.283 1.225 11.350 1.00 0.00 WT3 H ATOM 47379 H2 TIP3 8939 42.823 1.121 9.940 1.00 0.00 WT3 H ATOM 47380 OH2 TIP3 8940 44.539 69.797 -12.015 1.00 0.00 WT3 O ATOM 47381 H1 TIP3 8940 45.376 69.841 -11.552 1.00 0.00 WT3 H ATOM 47382 H2 TIP3 8940 43.895 69.622 -11.328 1.00 0.00 WT3 H ATOM 47383 OH2 TIP3 8941 50.479 92.716 65.611 1.00 0.00 WT3 O ATOM 47384 H1 TIP3 8941 50.942 93.297 65.008 1.00 0.00 WT3 H ATOM 47385 H2 TIP3 8941 50.784 91.838 65.381 1.00 0.00 WT3 H ATOM 47386 OH2 TIP3 8942 49.885 4.664 36.678 1.00 0.00 WT3 O ATOM 47387 H1 TIP3 8942 50.002 4.329 37.568 1.00 0.00 WT3 H ATOM 47388 H2 TIP3 8942 50.775 4.751 36.336 1.00 0.00 WT3 H ATOM 47389 OH2 TIP3 8943 27.196 25.883 -0.377 1.00 0.00 WT3 O ATOM 47390 H1 TIP3 8943 28.065 26.094 -0.720 1.00 0.00 WT3 H ATOM 47391 H2 TIP3 8943 27.257 24.963 -0.121 1.00 0.00 WT3 H ATOM 47392 OH2 TIP3 8944 36.601 94.494 36.413 1.00 0.00 WT3 O ATOM 47393 H1 TIP3 8944 37.206 93.777 36.223 1.00 0.00 WT3 H ATOM 47394 H2 TIP3 8944 35.966 94.469 35.697 1.00 0.00 WT3 H ATOM 47395 OH2 TIP3 8945 69.644 3.531 -17.909 1.00 0.00 WT3 O ATOM 47396 H1 TIP3 8945 68.982 4.185 -18.135 1.00 0.00 WT3 H ATOM 47397 H2 TIP3 8945 70.096 3.900 -17.150 1.00 0.00 WT3 H ATOM 47398 OH2 TIP3 8946 37.941 1.529 42.762 1.00 0.00 WT3 O ATOM 47399 H1 TIP3 8946 38.486 1.149 42.072 1.00 0.00 WT3 H ATOM 47400 H2 TIP3 8946 37.153 0.986 42.772 1.00 0.00 WT3 H ATOM 47401 OH2 TIP3 8947 47.382 42.492 -13.949 1.00 0.00 WT3 O ATOM 47402 H1 TIP3 8947 47.221 42.655 -13.019 1.00 0.00 WT3 H ATOM 47403 H2 TIP3 8947 48.336 42.454 -14.023 1.00 0.00 WT3 H ATOM 47404 OH2 TIP3 8948 48.281 71.238 66.408 1.00 0.00 WT3 O ATOM 47405 H1 TIP3 8948 48.781 71.036 67.199 1.00 0.00 WT3 H ATOM 47406 H2 TIP3 8948 48.923 71.187 65.699 1.00 0.00 WT3 H ATOM 47407 OH2 TIP3 8949 44.320 95.053 0.762 1.00 0.00 WT3 O ATOM 47408 H1 TIP3 8949 43.787 95.492 1.425 1.00 0.00 WT3 H ATOM 47409 H2 TIP3 8949 43.750 94.369 0.410 1.00 0.00 WT3 H ATOM 47410 OH2 TIP3 8951 24.722 81.133 -19.115 1.00 0.00 WT3 O ATOM 47411 H1 TIP3 8951 25.156 80.732 -19.868 1.00 0.00 WT3 H ATOM 47412 H2 TIP3 8951 23.925 80.616 -18.994 1.00 0.00 WT3 H ATOM 47413 OH2 TIP3 8952 25.998 69.771 30.436 1.00 0.00 WT3 O ATOM 47414 H1 TIP3 8952 25.861 70.130 29.559 1.00 0.00 WT3 H ATOM 47415 H2 TIP3 8952 26.630 70.364 30.842 1.00 0.00 WT3 H ATOM 47416 OH2 TIP3 8953 54.537 5.068 24.810 1.00 0.00 WT3 O ATOM 47417 H1 TIP3 8953 53.840 5.403 25.374 1.00 0.00 WT3 H ATOM 47418 H2 TIP3 8953 54.390 5.496 23.966 1.00 0.00 WT3 H ATOM 47419 OH2 TIP3 8954 62.069 3.833 -0.605 1.00 0.00 WT3 O ATOM 47420 H1 TIP3 8954 62.840 3.605 -1.125 1.00 0.00 WT3 H ATOM 47421 H2 TIP3 8954 61.673 2.990 -0.382 1.00 0.00 WT3 H ATOM 47422 OH2 TIP3 8956 34.944 94.838 33.807 1.00 0.00 WT3 O ATOM 47423 H1 TIP3 8956 34.243 94.193 33.904 1.00 0.00 WT3 H ATOM 47424 H2 TIP3 8956 35.364 94.614 32.977 1.00 0.00 WT3 H ATOM 47425 OH2 TIP3 8958 74.263 82.195 63.806 1.00 0.00 WT3 O ATOM 47426 H1 TIP3 8958 75.144 81.999 64.125 1.00 0.00 WT3 H ATOM 47427 H2 TIP3 8958 74.116 83.108 64.055 1.00 0.00 WT3 H ATOM 47428 OH2 TIP3 8959 56.561 90.292 33.429 1.00 0.00 WT3 O ATOM 47429 H1 TIP3 8959 55.638 90.097 33.268 1.00 0.00 WT3 H ATOM 47430 H2 TIP3 8959 56.795 89.745 34.179 1.00 0.00 WT3 H ATOM 47431 OH2 TIP3 8960 30.749 82.172 47.334 1.00 0.00 WT3 O ATOM 47432 H1 TIP3 8960 29.882 81.792 47.196 1.00 0.00 WT3 H ATOM 47433 H2 TIP3 8960 31.318 81.699 46.726 1.00 0.00 WT3 H ATOM 47434 OH2 TIP3 8961 32.523 72.526 47.301 1.00 0.00 WT3 O ATOM 47435 H1 TIP3 8961 32.680 73.352 46.843 1.00 0.00 WT3 H ATOM 47436 H2 TIP3 8961 33.316 72.012 47.146 1.00 0.00 WT3 H ATOM 47437 OH2 TIP3 8962 74.492 41.311 46.665 1.00 0.00 WT3 O ATOM 47438 H1 TIP3 8962 75.319 41.490 46.218 1.00 0.00 WT3 H ATOM 47439 H2 TIP3 8962 74.736 41.189 47.583 1.00 0.00 WT3 H ATOM 47440 OH2 TIP3 8965 29.472 82.653 6.300 1.00 0.00 WT3 O ATOM 47441 H1 TIP3 8965 29.560 82.024 7.017 1.00 0.00 WT3 H ATOM 47442 H2 TIP3 8965 28.714 83.185 6.539 1.00 0.00 WT3 H ATOM 47443 OH2 TIP3 8966 62.935 4.609 2.183 1.00 0.00 WT3 O ATOM 47444 H1 TIP3 8966 62.239 4.299 2.764 1.00 0.00 WT3 H ATOM 47445 H2 TIP3 8966 62.479 4.872 1.384 1.00 0.00 WT3 H ATOM 47446 OH2 TIP3 8969 34.693 89.551 64.098 1.00 0.00 WT3 O ATOM 47447 H1 TIP3 8969 35.547 89.119 64.062 1.00 0.00 WT3 H ATOM 47448 H2 TIP3 8969 34.331 89.440 63.219 1.00 0.00 WT3 H ATOM 47449 OH2 TIP3 8970 77.801 85.009 47.966 1.00 0.00 WT3 O ATOM 47450 H1 TIP3 8970 77.367 85.686 47.448 1.00 0.00 WT3 H ATOM 47451 H2 TIP3 8970 78.022 85.441 48.791 1.00 0.00 WT3 H ATOM 47452 OH2 TIP3 8971 87.612 82.784 29.028 1.00 0.00 WT3 O ATOM 47453 H1 TIP3 8971 88.091 82.946 28.215 1.00 0.00 WT3 H ATOM 47454 H2 TIP3 8971 87.812 83.541 29.579 1.00 0.00 WT3 H ATOM 47455 OH2 TIP3 8972 55.154 32.814 -13.845 1.00 0.00 WT3 O ATOM 47456 H1 TIP3 8972 55.568 32.365 -14.582 1.00 0.00 WT3 H ATOM 47457 H2 TIP3 8972 55.382 33.735 -13.966 1.00 0.00 WT3 H ATOM 47458 OH2 TIP3 8973 78.922 1.037 12.967 1.00 0.00 WT3 O ATOM 47459 H1 TIP3 8973 78.267 0.345 12.877 1.00 0.00 WT3 H ATOM 47460 H2 TIP3 8973 78.727 1.443 13.812 1.00 0.00 WT3 H ATOM 47461 OH2 TIP3 8974 24.969 12.860 53.999 1.00 0.00 WT3 O ATOM 47462 H1 TIP3 8974 24.097 13.245 53.916 1.00 0.00 WT3 H ATOM 47463 H2 TIP3 8974 25.187 12.566 53.114 1.00 0.00 WT3 H ATOM 47464 OH2 TIP3 8975 36.696 42.304 17.869 1.00 0.00 WT3 O ATOM 47465 H1 TIP3 8975 37.532 42.177 18.319 1.00 0.00 WT3 H ATOM 47466 H2 TIP3 8975 36.750 41.739 17.098 1.00 0.00 WT3 H ATOM 47467 OH2 TIP3 8976 38.884 87.381 35.970 1.00 0.00 WT3 O ATOM 47468 H1 TIP3 8976 39.179 87.610 36.851 1.00 0.00 WT3 H ATOM 47469 H2 TIP3 8976 38.800 86.428 35.984 1.00 0.00 WT3 H ATOM 47470 OH2 TIP3 8977 36.354 87.661 -4.890 1.00 0.00 WT3 O ATOM 47471 H1 TIP3 8977 37.186 88.125 -4.988 1.00 0.00 WT3 H ATOM 47472 H2 TIP3 8977 36.033 87.553 -5.785 1.00 0.00 WT3 H ATOM 47473 OH2 TIP3 8978 31.343 15.524 -14.514 1.00 0.00 WT3 O ATOM 47474 H1 TIP3 8978 31.120 14.681 -14.120 1.00 0.00 WT3 H ATOM 47475 H2 TIP3 8978 31.388 15.347 -15.453 1.00 0.00 WT3 H ATOM 47476 OH2 TIP3 8979 68.574 66.048 39.349 1.00 0.00 WT3 O ATOM 47477 H1 TIP3 8979 68.658 65.104 39.483 1.00 0.00 WT3 H ATOM 47478 H2 TIP3 8979 68.052 66.132 38.551 1.00 0.00 WT3 H ATOM 47479 OH2 TIP3 8980 19.959 27.729 61.214 1.00 0.00 WT3 O ATOM 47480 H1 TIP3 8980 20.277 26.866 61.480 1.00 0.00 WT3 H ATOM 47481 H2 TIP3 8980 20.610 28.341 61.558 1.00 0.00 WT3 H ATOM 47482 OH2 TIP3 8981 75.078 90.267 20.747 1.00 0.00 WT3 O ATOM 47483 H1 TIP3 8981 74.237 89.810 20.743 1.00 0.00 WT3 H ATOM 47484 H2 TIP3 8981 75.342 90.276 21.667 1.00 0.00 WT3 H ATOM 47485 OH2 TIP3 8982 76.851 71.022 27.427 1.00 0.00 WT3 O ATOM 47486 H1 TIP3 8982 76.760 70.161 27.834 1.00 0.00 WT3 H ATOM 47487 H2 TIP3 8982 76.058 71.494 27.684 1.00 0.00 WT3 H ATOM 47488 OH2 TIP3 8983 58.544 2.429 10.254 1.00 0.00 WT3 O ATOM 47489 H1 TIP3 8983 58.689 2.826 9.395 1.00 0.00 WT3 H ATOM 47490 H2 TIP3 8983 59.050 1.616 10.231 1.00 0.00 WT3 H ATOM 47491 OH2 TIP3 8984 67.764 51.158 34.197 1.00 0.00 WT3 O ATOM 47492 H1 TIP3 8984 67.076 50.571 33.885 1.00 0.00 WT3 H ATOM 47493 H2 TIP3 8984 68.194 51.469 33.400 1.00 0.00 WT3 H ATOM 47494 OH2 TIP3 8985 74.456 26.634 64.017 1.00 0.00 WT3 O ATOM 47495 H1 TIP3 8985 73.897 27.362 63.745 1.00 0.00 WT3 H ATOM 47496 H2 TIP3 8985 74.389 26.000 63.303 1.00 0.00 WT3 H ATOM 47497 OH2 TIP3 8986 73.799 30.418 4.987 1.00 0.00 WT3 O ATOM 47498 H1 TIP3 8986 73.548 31.037 5.673 1.00 0.00 WT3 H ATOM 47499 H2 TIP3 8986 73.860 29.575 5.436 1.00 0.00 WT3 H ATOM 47500 OH2 TIP3 8987 23.058 7.905 54.510 1.00 0.00 WT3 O ATOM 47501 H1 TIP3 8987 22.715 8.364 55.277 1.00 0.00 WT3 H ATOM 47502 H2 TIP3 8987 23.620 7.220 54.873 1.00 0.00 WT3 H ATOM 47503 OH2 TIP3 8988 56.752 96.120 3.047 1.00 0.00 WT3 O ATOM 47504 H1 TIP3 8988 56.835 96.061 3.999 1.00 0.00 WT3 H ATOM 47505 H2 TIP3 8988 56.082 95.473 2.825 1.00 0.00 WT3 H ATOM 47506 OH2 TIP3 8992 31.289 73.643 37.269 1.00 0.00 WT3 O ATOM 47507 H1 TIP3 8992 31.133 73.537 36.331 1.00 0.00 WT3 H ATOM 47508 H2 TIP3 8992 32.238 73.564 37.366 1.00 0.00 WT3 H ATOM 47509 OH2 TIP3 8993 78.896 76.432 53.709 1.00 0.00 WT3 O ATOM 47510 H1 TIP3 8993 78.729 75.680 53.141 1.00 0.00 WT3 H ATOM 47511 H2 TIP3 8993 79.838 76.404 53.874 1.00 0.00 WT3 H ATOM 47512 OH2 TIP3 8995 51.575 88.814 43.081 1.00 0.00 WT3 O ATOM 47513 H1 TIP3 8995 50.978 89.164 42.420 1.00 0.00 WT3 H ATOM 47514 H2 TIP3 8995 51.856 89.581 43.581 1.00 0.00 WT3 H ATOM 47515 OH2 TIP3 8996 86.047 25.984 38.538 1.00 0.00 WT3 O ATOM 47516 H1 TIP3 8996 86.668 26.448 39.100 1.00 0.00 WT3 H ATOM 47517 H2 TIP3 8996 86.048 25.086 38.869 1.00 0.00 WT3 H ATOM 47518 OH2 TIP3 8997 33.658 5.757 46.063 1.00 0.00 WT3 O ATOM 47519 H1 TIP3 8997 34.078 5.058 46.565 1.00 0.00 WT3 H ATOM 47520 H2 TIP3 8997 34.166 5.809 45.253 1.00 0.00 WT3 H ATOM 47521 OH2 TIP3 8998 70.470 19.923 -15.606 1.00 0.00 WT3 O ATOM 47522 H1 TIP3 8998 70.550 19.697 -14.679 1.00 0.00 WT3 H ATOM 47523 H2 TIP3 8998 70.824 20.810 -15.668 1.00 0.00 WT3 H ATOM 47524 OH2 TIP3 9001 26.918 45.867 12.935 1.00 0.00 WT3 O ATOM 47525 H1 TIP3 9001 26.809 45.839 13.885 1.00 0.00 WT3 H ATOM 47526 H2 TIP3 9001 26.769 46.784 12.703 1.00 0.00 WT3 H ATOM 47527 OH2 TIP3 9003 83.444 31.042 24.964 1.00 0.00 WT3 O ATOM 47528 H1 TIP3 9003 83.299 30.675 25.836 1.00 0.00 WT3 H ATOM 47529 H2 TIP3 9003 82.696 31.621 24.820 1.00 0.00 WT3 H ATOM 47530 OH2 TIP3 9004 28.843 92.870 15.885 1.00 0.00 WT3 O ATOM 47531 H1 TIP3 9004 28.481 92.018 16.128 1.00 0.00 WT3 H ATOM 47532 H2 TIP3 9004 29.679 92.917 16.349 1.00 0.00 WT3 H ATOM 47533 OH2 TIP3 9006 55.599 23.024 32.200 1.00 0.00 WT3 O ATOM 47534 H1 TIP3 9006 55.436 23.537 31.409 1.00 0.00 WT3 H ATOM 47535 H2 TIP3 9006 55.515 22.113 31.917 1.00 0.00 WT3 H ATOM 47536 OH2 TIP3 9008 64.539 30.485 66.480 1.00 0.00 WT3 O ATOM 47537 H1 TIP3 9008 63.970 31.166 66.838 1.00 0.00 WT3 H ATOM 47538 H2 TIP3 9008 64.170 29.666 66.810 1.00 0.00 WT3 H ATOM 47539 OH2 TIP3 9009 21.462 58.388 26.878 1.00 0.00 WT3 O ATOM 47540 H1 TIP3 9009 22.327 58.790 26.806 1.00 0.00 WT3 H ATOM 47541 H2 TIP3 9009 21.328 57.952 26.037 1.00 0.00 WT3 H ATOM 47542 OH2 TIP3 9010 63.337 27.970 -20.062 1.00 0.00 WT3 O ATOM 47543 H1 TIP3 9010 62.723 27.387 -19.615 1.00 0.00 WT3 H ATOM 47544 H2 TIP3 9010 64.198 27.593 -19.884 1.00 0.00 WT3 H ATOM 47545 OH2 TIP3 9014 53.651 24.198 -8.172 1.00 0.00 WT3 O ATOM 47546 H1 TIP3 9014 53.527 25.144 -8.098 1.00 0.00 WT3 H ATOM 47547 H2 TIP3 9014 52.797 23.826 -7.949 1.00 0.00 WT3 H ATOM 47548 OH2 TIP3 9015 82.840 53.502 16.351 1.00 0.00 WT3 O ATOM 47549 H1 TIP3 9015 82.464 53.319 15.490 1.00 0.00 WT3 H ATOM 47550 H2 TIP3 9015 83.646 52.986 16.376 1.00 0.00 WT3 H ATOM 47551 OH2 TIP3 9017 23.806 79.850 18.392 1.00 0.00 WT3 O ATOM 47552 H1 TIP3 9017 24.218 79.013 18.176 1.00 0.00 WT3 H ATOM 47553 H2 TIP3 9017 24.442 80.509 18.116 1.00 0.00 WT3 H ATOM 47554 OH2 TIP3 9018 24.162 37.615 63.687 1.00 0.00 WT3 O ATOM 47555 H1 TIP3 9018 25.110 37.482 63.689 1.00 0.00 WT3 H ATOM 47556 H2 TIP3 9018 23.833 36.996 63.035 1.00 0.00 WT3 H ATOM 47557 OH2 TIP3 9019 61.334 7.842 -2.144 1.00 0.00 WT3 O ATOM 47558 H1 TIP3 9019 61.336 8.177 -3.041 1.00 0.00 WT3 H ATOM 47559 H2 TIP3 9019 61.515 8.609 -1.601 1.00 0.00 WT3 H ATOM 47560 OH2 TIP3 9020 31.018 62.672 65.234 1.00 0.00 WT3 O ATOM 47561 H1 TIP3 9020 30.682 63.546 65.434 1.00 0.00 WT3 H ATOM 47562 H2 TIP3 9020 30.378 62.302 64.626 1.00 0.00 WT3 H ATOM 47563 OH2 TIP3 9022 71.521 47.964 33.840 1.00 0.00 WT3 O ATOM 47564 H1 TIP3 9022 71.455 48.224 34.759 1.00 0.00 WT3 H ATOM 47565 H2 TIP3 9022 70.873 47.266 33.742 1.00 0.00 WT3 H ATOM 47566 OH2 TIP3 9023 59.733 11.224 46.326 1.00 0.00 WT3 O ATOM 47567 H1 TIP3 9023 60.469 10.789 46.756 1.00 0.00 WT3 H ATOM 47568 H2 TIP3 9023 58.996 10.625 46.446 1.00 0.00 WT3 H ATOM 47569 OH2 TIP3 9024 37.924 45.908 19.616 1.00 0.00 WT3 O ATOM 47570 H1 TIP3 9024 38.583 45.303 19.274 1.00 0.00 WT3 H ATOM 47571 H2 TIP3 9024 38.377 46.749 19.670 1.00 0.00 WT3 H ATOM 47572 OH2 TIP3 9026 27.143 96.758 48.183 1.00 0.00 WT3 O ATOM 47573 H1 TIP3 9026 26.373 96.192 48.230 1.00 0.00 WT3 H ATOM 47574 H2 TIP3 9026 27.669 96.389 47.473 1.00 0.00 WT3 H ATOM 47575 OH2 TIP3 9027 61.301 54.181 20.693 1.00 0.00 WT3 O ATOM 47576 H1 TIP3 9027 61.497 54.090 19.761 1.00 0.00 WT3 H ATOM 47577 H2 TIP3 9027 60.672 54.902 20.737 1.00 0.00 WT3 H ATOM 47578 OH2 TIP3 9030 40.044 78.251 22.740 1.00 0.00 WT3 O ATOM 47579 H1 TIP3 9030 39.866 78.325 21.803 1.00 0.00 WT3 H ATOM 47580 H2 TIP3 9030 40.628 77.496 22.815 1.00 0.00 WT3 H ATOM 47581 OH2 TIP3 9039 87.826 79.629 46.364 1.00 0.00 WT3 O ATOM 47582 H1 TIP3 9039 88.201 80.328 45.829 1.00 0.00 WT3 H ATOM 47583 H2 TIP3 9039 86.881 79.774 46.320 1.00 0.00 WT3 H ATOM 47584 OH2 TIP3 9041 38.830 78.837 33.767 1.00 0.00 WT3 O ATOM 47585 H1 TIP3 9041 39.186 77.973 33.974 1.00 0.00 WT3 H ATOM 47586 H2 TIP3 9041 39.569 79.435 33.880 1.00 0.00 WT3 H ATOM 47587 OH2 TIP3 9042 88.502 91.871 27.216 1.00 0.00 WT3 O ATOM 47588 H1 TIP3 9042 88.156 92.692 26.867 1.00 0.00 WT3 H ATOM 47589 H2 TIP3 9042 88.440 91.969 28.166 1.00 0.00 WT3 H ATOM 47590 OH2 TIP3 9047 41.017 19.781 -19.943 1.00 0.00 WT3 O ATOM 47591 H1 TIP3 9047 40.278 19.639 -20.534 1.00 0.00 WT3 H ATOM 47592 H2 TIP3 9047 40.841 19.209 -19.196 1.00 0.00 WT3 H ATOM 47593 OH2 TIP3 9050 29.678 82.886 1.425 1.00 0.00 WT3 O ATOM 47594 H1 TIP3 9050 29.187 82.228 1.917 1.00 0.00 WT3 H ATOM 47595 H2 TIP3 9050 30.350 82.385 0.961 1.00 0.00 WT3 H ATOM 47596 OH2 TIP3 9053 34.993 81.976 55.049 1.00 0.00 WT3 O ATOM 47597 H1 TIP3 9053 34.242 81.475 54.730 1.00 0.00 WT3 H ATOM 47598 H2 TIP3 9053 35.756 81.496 54.728 1.00 0.00 WT3 H ATOM 47599 OH2 TIP3 9054 46.403 56.364 3.647 1.00 0.00 WT3 O ATOM 47600 H1 TIP3 9054 47.186 56.855 3.398 1.00 0.00 WT3 H ATOM 47601 H2 TIP3 9054 45.981 56.907 4.313 1.00 0.00 WT3 H ATOM 47602 OH2 TIP3 9055 63.766 2.627 24.893 1.00 0.00 WT3 O ATOM 47603 H1 TIP3 9055 64.171 2.921 25.709 1.00 0.00 WT3 H ATOM 47604 H2 TIP3 9055 64.201 1.798 24.694 1.00 0.00 WT3 H ATOM 47605 OH2 TIP3 9057 61.073 60.659 44.565 1.00 0.00 WT3 O ATOM 47606 H1 TIP3 9057 60.601 60.581 43.736 1.00 0.00 WT3 H ATOM 47607 H2 TIP3 9057 60.658 60.015 45.139 1.00 0.00 WT3 H ATOM 47608 OH2 TIP3 9060 30.969 4.944 21.478 1.00 0.00 WT3 O ATOM 47609 H1 TIP3 9060 30.034 5.114 21.589 1.00 0.00 WT3 H ATOM 47610 H2 TIP3 9060 31.381 5.374 22.227 1.00 0.00 WT3 H ATOM 47611 OH2 TIP3 9061 82.961 41.222 1.991 1.00 0.00 WT3 O ATOM 47612 H1 TIP3 9061 82.128 41.665 1.828 1.00 0.00 WT3 H ATOM 47613 H2 TIP3 9061 82.729 40.466 2.531 1.00 0.00 WT3 H ATOM 47614 OH2 TIP3 9063 67.321 34.697 8.102 1.00 0.00 WT3 O ATOM 47615 H1 TIP3 9063 66.368 34.772 8.057 1.00 0.00 WT3 H ATOM 47616 H2 TIP3 9063 67.610 35.530 8.476 1.00 0.00 WT3 H ATOM 47617 OH2 TIP3 9066 38.787 8.819 -2.250 1.00 0.00 WT3 O ATOM 47618 H1 TIP3 9066 38.439 9.162 -3.073 1.00 0.00 WT3 H ATOM 47619 H2 TIP3 9066 38.173 8.129 -1.999 1.00 0.00 WT3 H ATOM 47620 OH2 TIP3 9067 80.834 18.139 -19.922 1.00 0.00 WT3 O ATOM 47621 H1 TIP3 9067 81.392 17.423 -19.619 1.00 0.00 WT3 H ATOM 47622 H2 TIP3 9067 80.402 18.459 -19.129 1.00 0.00 WT3 H ATOM 47623 OH2 TIP3 9070 57.917 89.710 -4.384 1.00 0.00 WT3 O ATOM 47624 H1 TIP3 9070 57.036 89.336 -4.384 1.00 0.00 WT3 H ATOM 47625 H2 TIP3 9070 57.983 90.172 -3.549 1.00 0.00 WT3 H ATOM 47626 OH2 TIP3 9072 84.995 68.893 -13.544 1.00 0.00 WT3 O ATOM 47627 H1 TIP3 9072 84.980 67.936 -13.520 1.00 0.00 WT3 H ATOM 47628 H2 TIP3 9072 84.075 69.148 -13.486 1.00 0.00 WT3 H ATOM 47629 OH2 TIP3 9082 84.650 85.576 60.520 1.00 0.00 WT3 O ATOM 47630 H1 TIP3 9082 85.176 84.826 60.799 1.00 0.00 WT3 H ATOM 47631 H2 TIP3 9082 84.012 85.697 61.222 1.00 0.00 WT3 H ATOM 47632 OH2 TIP3 9084 55.891 7.801 61.285 1.00 0.00 WT3 O ATOM 47633 H1 TIP3 9084 55.182 7.188 61.092 1.00 0.00 WT3 H ATOM 47634 H2 TIP3 9084 56.666 7.404 60.888 1.00 0.00 WT3 H ATOM 47635 OH2 TIP3 9090 87.606 66.294 63.909 1.00 0.00 WT3 O ATOM 47636 H1 TIP3 9090 87.288 65.397 64.016 1.00 0.00 WT3 H ATOM 47637 H2 TIP3 9090 87.573 66.666 64.790 1.00 0.00 WT3 H ATOM 47638 OH2 TIP3 9094 62.778 74.889 26.688 1.00 0.00 WT3 O ATOM 47639 H1 TIP3 9094 62.894 74.141 27.275 1.00 0.00 WT3 H ATOM 47640 H2 TIP3 9094 61.863 74.839 26.413 1.00 0.00 WT3 H ATOM 47641 OH2 TIP3 9096 67.849 77.660 12.869 1.00 0.00 WT3 O ATOM 47642 H1 TIP3 9096 66.916 77.773 12.684 1.00 0.00 WT3 H ATOM 47643 H2 TIP3 9096 68.100 76.884 12.369 1.00 0.00 WT3 H ATOM 47644 OH2 TIP3 9109 63.289 55.728 53.694 1.00 0.00 WT3 O ATOM 47645 H1 TIP3 9109 62.603 55.078 53.849 1.00 0.00 WT3 H ATOM 47646 H2 TIP3 9109 63.949 55.262 53.180 1.00 0.00 WT3 H ATOM 47647 OH2 TIP3 9117 86.058 23.745 34.812 1.00 0.00 WT3 O ATOM 47648 H1 TIP3 9117 86.294 24.009 35.701 1.00 0.00 WT3 H ATOM 47649 H2 TIP3 9117 86.880 23.447 34.424 1.00 0.00 WT3 H ATOM 47650 OH2 TIP3 9129 74.146 60.631 -9.446 1.00 0.00 WT3 O ATOM 47651 H1 TIP3 9129 73.605 60.698 -8.659 1.00 0.00 WT3 H ATOM 47652 H2 TIP3 9129 73.531 60.395 -10.140 1.00 0.00 WT3 H ATOM 47653 OH2 TIP3 9137 65.461 40.225 20.712 1.00 0.00 WT3 O ATOM 47654 H1 TIP3 9137 65.093 40.178 21.594 1.00 0.00 WT3 H ATOM 47655 H2 TIP3 9137 65.991 39.432 20.631 1.00 0.00 WT3 H ATOM 47656 OH2 TIP3 9146 65.085 10.968 43.089 1.00 0.00 WT3 O ATOM 47657 H1 TIP3 9146 65.644 11.730 42.935 1.00 0.00 WT3 H ATOM 47658 H2 TIP3 9146 64.247 11.337 43.369 1.00 0.00 WT3 H ATOM 47659 OH2 TIP3 9151 45.585 79.893 13.841 1.00 0.00 WT3 O ATOM 47660 H1 TIP3 9151 45.397 79.090 14.328 1.00 0.00 WT3 H ATOM 47661 H2 TIP3 9151 45.001 79.857 13.084 1.00 0.00 WT3 H ATOM 47662 OH2 TIP3 9165 76.550 57.474 -13.685 1.00 0.00 WT3 O ATOM 47663 H1 TIP3 9165 76.076 56.884 -13.099 1.00 0.00 WT3 H ATOM 47664 H2 TIP3 9165 76.175 58.337 -13.512 1.00 0.00 WT3 H ATOM 47665 OH2 TIP3 9168 35.955 38.439 -5.706 1.00 0.00 WT3 O ATOM 47666 H1 TIP3 9168 35.730 39.149 -5.105 1.00 0.00 WT3 H ATOM 47667 H2 TIP3 9168 36.906 38.497 -5.801 1.00 0.00 WT3 H ATOM 47668 OH2 TIP3 9169 87.876 39.998 17.655 1.00 0.00 WT3 O ATOM 47669 H1 TIP3 9169 87.511 39.280 17.137 1.00 0.00 WT3 H ATOM 47670 H2 TIP3 9169 87.118 40.534 17.889 1.00 0.00 WT3 H ATOM 47671 OH2 TIP3 9178 20.236 42.962 43.952 1.00 0.00 WT3 O ATOM 47672 H1 TIP3 9178 20.685 43.718 43.573 1.00 0.00 WT3 H ATOM 47673 H2 TIP3 9178 20.525 42.943 44.864 1.00 0.00 WT3 H ATOM 47674 OH2 TIP3 9201 34.460 88.634 56.250 1.00 0.00 WT3 O ATOM 47675 H1 TIP3 9201 34.167 89.311 55.639 1.00 0.00 WT3 H ATOM 47676 H2 TIP3 9201 33.707 88.483 56.820 1.00 0.00 WT3 H ATOM 47677 OH2 TIP3 9210 34.719 34.908 24.951 1.00 0.00 WT3 O ATOM 47678 H1 TIP3 9210 35.275 35.616 24.627 1.00 0.00 WT3 H ATOM 47679 H2 TIP3 9210 35.114 34.655 25.785 1.00 0.00 WT3 H ATOM 47680 OH2 TIP3 9212 89.328 63.315 33.491 1.00 0.00 WT3 O ATOM 47681 H1 TIP3 9212 89.586 62.468 33.127 1.00 0.00 WT3 H ATOM 47682 H2 TIP3 9212 88.403 63.210 33.712 1.00 0.00 WT3 H ATOM 47683 OH2 TIP3 9214 76.653 55.704 39.656 1.00 0.00 WT3 O ATOM 47684 H1 TIP3 9214 76.202 55.486 40.471 1.00 0.00 WT3 H ATOM 47685 H2 TIP3 9214 76.011 55.520 38.970 1.00 0.00 WT3 H ATOM 47686 OH2 TIP3 9226 73.842 50.901 -3.978 1.00 0.00 WT3 O ATOM 47687 H1 TIP3 9226 73.355 50.077 -3.993 1.00 0.00 WT3 H ATOM 47688 H2 TIP3 9226 73.248 51.525 -3.561 1.00 0.00 WT3 H ATOM 47689 OH2 TIP3 9230 45.800 82.570 58.774 1.00 0.00 WT3 O ATOM 47690 H1 TIP3 9230 45.613 81.726 58.363 1.00 0.00 WT3 H ATOM 47691 H2 TIP3 9230 46.666 82.460 59.166 1.00 0.00 WT3 H ATOM 47692 OH2 TIP3 9231 50.532 1.699 -9.700 1.00 0.00 WT3 O ATOM 47693 H1 TIP3 9231 50.524 1.022 -9.023 1.00 0.00 WT3 H ATOM 47694 H2 TIP3 9231 50.629 1.217 -10.521 1.00 0.00 WT3 H ATOM 47695 OH2 TIP3 9234 84.722 79.240 15.969 1.00 0.00 WT3 O ATOM 47696 H1 TIP3 9234 84.438 80.149 16.073 1.00 0.00 WT3 H ATOM 47697 H2 TIP3 9234 84.140 78.740 16.541 1.00 0.00 WT3 H ATOM 47698 OH2 TIP3 9240 23.803 85.317 13.089 1.00 0.00 WT3 O ATOM 47699 H1 TIP3 9240 23.646 84.377 13.170 1.00 0.00 WT3 H ATOM 47700 H2 TIP3 9240 24.585 85.384 12.542 1.00 0.00 WT3 H ATOM 47701 OH2 TIP3 9241 30.100 63.185 51.588 1.00 0.00 WT3 O ATOM 47702 H1 TIP3 9241 30.710 63.602 50.980 1.00 0.00 WT3 H ATOM 47703 H2 TIP3 9241 29.421 62.810 51.027 1.00 0.00 WT3 H ATOM 47704 OH2 TIP3 9243 49.554 91.824 53.597 1.00 0.00 WT3 O ATOM 47705 H1 TIP3 9243 49.046 91.077 53.912 1.00 0.00 WT3 H ATOM 47706 H2 TIP3 9243 48.905 92.408 53.204 1.00 0.00 WT3 H ATOM 47707 OH2 TIP3 9246 83.826 66.261 16.437 1.00 0.00 WT3 O ATOM 47708 H1 TIP3 9246 83.943 67.097 15.985 1.00 0.00 WT3 H ATOM 47709 H2 TIP3 9246 84.405 65.655 15.975 1.00 0.00 WT3 H ATOM 47710 OH2 TIP3 9250 39.964 55.395 -2.623 1.00 0.00 WT3 O ATOM 47711 H1 TIP3 9250 40.435 54.925 -3.310 1.00 0.00 WT3 H ATOM 47712 H2 TIP3 9250 40.437 56.222 -2.529 1.00 0.00 WT3 H ATOM 47713 OH2 TIP3 9252 38.651 75.015 56.579 1.00 0.00 WT3 O ATOM 47714 H1 TIP3 9252 38.418 75.869 56.216 1.00 0.00 WT3 H ATOM 47715 H2 TIP3 9252 39.499 74.809 56.186 1.00 0.00 WT3 H ATOM 47716 OH2 TIP3 9253 65.076 34.624 22.932 1.00 0.00 WT3 O ATOM 47717 H1 TIP3 9253 64.482 34.027 22.478 1.00 0.00 WT3 H ATOM 47718 H2 TIP3 9253 64.906 35.479 22.536 1.00 0.00 WT3 H ATOM 47719 OH2 TIP3 9255 66.953 67.807 0.483 1.00 0.00 WT3 O ATOM 47720 H1 TIP3 9255 66.071 68.077 0.226 1.00 0.00 WT3 H ATOM 47721 H2 TIP3 9255 67.478 67.913 -0.311 1.00 0.00 WT3 H ATOM 47722 OH2 TIP3 9257 80.248 50.883 36.924 1.00 0.00 WT3 O ATOM 47723 H1 TIP3 9257 80.888 51.586 37.038 1.00 0.00 WT3 H ATOM 47724 H2 TIP3 9257 79.399 51.323 36.968 1.00 0.00 WT3 H ATOM 47725 OH2 TIP3 9260 72.947 15.340 50.417 1.00 0.00 WT3 O ATOM 47726 H1 TIP3 9260 72.049 15.009 50.400 1.00 0.00 WT3 H ATOM 47727 H2 TIP3 9260 72.917 16.079 51.025 1.00 0.00 WT3 H ATOM 47728 OH2 TIP3 9261 71.214 71.354 -14.200 1.00 0.00 WT3 O ATOM 47729 H1 TIP3 9261 71.395 70.430 -14.376 1.00 0.00 WT3 H ATOM 47730 H2 TIP3 9261 71.632 71.524 -13.356 1.00 0.00 WT3 H ATOM 47731 OH2 TIP3 4 65.531 52.572 25.567 1.00 0.00 WT4 O ATOM 47732 H1 TIP3 4 65.620 52.138 24.718 1.00 0.00 WT4 H ATOM 47733 H2 TIP3 4 64.604 52.804 25.621 1.00 0.00 WT4 H ATOM 47734 OH2 TIP3 5 31.393 38.678 2.634 1.00 0.00 WT4 O ATOM 47735 H1 TIP3 5 31.551 39.169 3.440 1.00 0.00 WT4 H ATOM 47736 H2 TIP3 5 32.102 38.036 2.601 1.00 0.00 WT4 H ATOM 47737 OH2 TIP3 7 43.193 5.369 -13.682 1.00 0.00 WT4 O ATOM 47738 H1 TIP3 7 42.289 5.268 -13.385 1.00 0.00 WT4 H ATOM 47739 H2 TIP3 7 43.387 6.297 -13.549 1.00 0.00 WT4 H ATOM 47740 OH2 TIP3 11 23.399 90.491 21.605 1.00 0.00 WT4 O ATOM 47741 H1 TIP3 11 22.973 90.582 20.753 1.00 0.00 WT4 H ATOM 47742 H2 TIP3 11 24.313 90.724 21.443 1.00 0.00 WT4 H ATOM 47743 OH2 TIP3 21 84.149 58.933 40.532 1.00 0.00 WT4 O ATOM 47744 H1 TIP3 21 83.668 58.998 41.357 1.00 0.00 WT4 H ATOM 47745 H2 TIP3 21 83.484 59.057 39.856 1.00 0.00 WT4 H ATOM 47746 OH2 TIP3 22 76.382 32.583 -8.609 1.00 0.00 WT4 O ATOM 47747 H1 TIP3 22 76.492 31.869 -7.981 1.00 0.00 WT4 H ATOM 47748 H2 TIP3 22 77.089 33.195 -8.404 1.00 0.00 WT4 H ATOM 47749 OH2 TIP3 23 37.347 51.689 -1.428 1.00 0.00 WT4 O ATOM 47750 H1 TIP3 23 38.088 51.250 -1.010 1.00 0.00 WT4 H ATOM 47751 H2 TIP3 23 36.869 50.986 -1.868 1.00 0.00 WT4 H ATOM 47752 OH2 TIP3 24 70.608 60.526 22.382 1.00 0.00 WT4 O ATOM 47753 H1 TIP3 24 69.806 61.025 22.540 1.00 0.00 WT4 H ATOM 47754 H2 TIP3 24 70.421 59.654 22.730 1.00 0.00 WT4 H ATOM 47755 OH2 TIP3 25 60.703 54.525 38.527 1.00 0.00 WT4 O ATOM 47756 H1 TIP3 25 60.422 54.656 39.433 1.00 0.00 WT4 H ATOM 47757 H2 TIP3 25 59.993 54.024 38.125 1.00 0.00 WT4 H ATOM 47758 OH2 TIP3 27 52.596 47.100 -18.170 1.00 0.00 WT4 O ATOM 47759 H1 TIP3 27 53.497 47.237 -17.877 1.00 0.00 WT4 H ATOM 47760 H2 TIP3 27 52.306 46.320 -17.697 1.00 0.00 WT4 H ATOM 47761 OH2 TIP3 29 89.773 85.400 64.625 1.00 0.00 WT4 O ATOM 47762 H1 TIP3 29 89.499 84.941 63.831 1.00 0.00 WT4 H ATOM 47763 H2 TIP3 29 90.149 86.222 64.310 1.00 0.00 WT4 H ATOM 47764 OH2 TIP3 31 69.164 96.290 48.761 1.00 0.00 WT4 O ATOM 47765 H1 TIP3 31 68.914 95.404 48.498 1.00 0.00 WT4 H ATOM 47766 H2 TIP3 31 68.469 96.569 49.356 1.00 0.00 WT4 H ATOM 47767 OH2 TIP3 43 28.159 46.474 53.921 1.00 0.00 WT4 O ATOM 47768 H1 TIP3 43 27.932 47.301 54.347 1.00 0.00 WT4 H ATOM 47769 H2 TIP3 43 29.033 46.623 53.560 1.00 0.00 WT4 H ATOM 47770 OH2 TIP3 44 38.728 87.528 -19.435 1.00 0.00 WT4 O ATOM 47771 H1 TIP3 44 38.197 86.840 -19.033 1.00 0.00 WT4 H ATOM 47772 H2 TIP3 44 38.854 88.172 -18.737 1.00 0.00 WT4 H ATOM 47773 OH2 TIP3 46 90.267 50.545 -12.353 1.00 0.00 WT4 O ATOM 47774 H1 TIP3 46 89.564 50.145 -11.842 1.00 0.00 WT4 H ATOM 47775 H2 TIP3 46 89.818 51.137 -12.957 1.00 0.00 WT4 H ATOM 47776 OH2 TIP3 47 52.925 70.326 54.472 1.00 0.00 WT4 O ATOM 47777 H1 TIP3 47 53.519 70.533 53.751 1.00 0.00 WT4 H ATOM 47778 H2 TIP3 47 52.252 69.772 54.077 1.00 0.00 WT4 H ATOM 47779 OH2 TIP3 48 62.206 24.724 48.999 1.00 0.00 WT4 O ATOM 47780 H1 TIP3 48 63.084 24.650 48.626 1.00 0.00 WT4 H ATOM 47781 H2 TIP3 48 61.744 25.321 48.411 1.00 0.00 WT4 H ATOM 47782 OH2 TIP3 50 34.915 70.452 1.867 1.00 0.00 WT4 O ATOM 47783 H1 TIP3 50 35.714 70.522 2.389 1.00 0.00 WT4 H ATOM 47784 H2 TIP3 50 34.481 69.665 2.195 1.00 0.00 WT4 H ATOM 47785 OH2 TIP3 64 41.800 83.376 -11.648 1.00 0.00 WT4 O ATOM 47786 H1 TIP3 64 40.965 83.054 -11.310 1.00 0.00 WT4 H ATOM 47787 H2 TIP3 64 42.452 83.051 -11.027 1.00 0.00 WT4 H ATOM 47788 OH2 TIP3 66 66.957 30.457 45.129 1.00 0.00 WT4 O ATOM 47789 H1 TIP3 66 67.720 29.886 45.037 1.00 0.00 WT4 H ATOM 47790 H2 TIP3 66 67.311 31.343 45.053 1.00 0.00 WT4 H ATOM 47791 OH2 TIP3 67 71.500 51.926 63.176 1.00 0.00 WT4 O ATOM 47792 H1 TIP3 67 71.678 51.987 62.238 1.00 0.00 WT4 H ATOM 47793 H2 TIP3 67 70.585 52.194 63.264 1.00 0.00 WT4 H ATOM 47794 OH2 TIP3 68 38.809 64.655 48.745 1.00 0.00 WT4 O ATOM 47795 H1 TIP3 68 39.682 64.514 48.380 1.00 0.00 WT4 H ATOM 47796 H2 TIP3 68 38.967 64.918 49.651 1.00 0.00 WT4 H ATOM 47797 OH2 TIP3 69 43.736 64.325 40.350 1.00 0.00 WT4 O ATOM 47798 H1 TIP3 69 42.864 64.535 40.685 1.00 0.00 WT4 H ATOM 47799 H2 TIP3 69 44.336 64.680 41.005 1.00 0.00 WT4 H ATOM 47800 OH2 TIP3 70 49.994 60.357 47.471 1.00 0.00 WT4 O ATOM 47801 H1 TIP3 70 49.253 60.748 47.008 1.00 0.00 WT4 H ATOM 47802 H2 TIP3 70 50.728 60.440 46.862 1.00 0.00 WT4 H ATOM 47803 OH2 TIP3 72 68.061 87.030 -16.013 1.00 0.00 WT4 O ATOM 47804 H1 TIP3 72 67.706 87.918 -15.980 1.00 0.00 WT4 H ATOM 47805 H2 TIP3 72 68.303 86.902 -16.930 1.00 0.00 WT4 H ATOM 47806 OH2 TIP3 83 87.475 91.615 58.696 1.00 0.00 WT4 O ATOM 47807 H1 TIP3 83 87.487 92.416 58.171 1.00 0.00 WT4 H ATOM 47808 H2 TIP3 83 86.963 90.996 58.177 1.00 0.00 WT4 H ATOM 47809 OH2 TIP3 86 40.474 46.962 59.449 1.00 0.00 WT4 O ATOM 47810 H1 TIP3 86 40.370 47.851 59.109 1.00 0.00 WT4 H ATOM 47811 H2 TIP3 86 40.290 46.396 58.699 1.00 0.00 WT4 H ATOM 47812 OH2 TIP3 87 24.050 46.940 39.047 1.00 0.00 WT4 O ATOM 47813 H1 TIP3 87 24.448 47.460 39.745 1.00 0.00 WT4 H ATOM 47814 H2 TIP3 87 24.779 46.448 38.669 1.00 0.00 WT4 H ATOM 47815 OH2 TIP3 88 82.336 79.718 40.993 1.00 0.00 WT4 O ATOM 47816 H1 TIP3 88 82.707 78.959 40.542 1.00 0.00 WT4 H ATOM 47817 H2 TIP3 88 81.470 79.830 40.601 1.00 0.00 WT4 H ATOM 47818 OH2 TIP3 90 86.911 87.254 16.997 1.00 0.00 WT4 O ATOM 47819 H1 TIP3 90 87.029 87.100 17.934 1.00 0.00 WT4 H ATOM 47820 H2 TIP3 90 87.794 87.194 16.631 1.00 0.00 WT4 H ATOM 47821 OH2 TIP3 91 37.649 56.638 66.728 1.00 0.00 WT4 O ATOM 47822 H1 TIP3 91 38.142 56.445 67.525 1.00 0.00 WT4 H ATOM 47823 H2 TIP3 91 37.117 55.856 66.579 1.00 0.00 WT4 H ATOM 47824 OH2 TIP3 93 57.070 67.685 53.176 1.00 0.00 WT4 O ATOM 47825 H1 TIP3 93 56.308 67.640 52.598 1.00 0.00 WT4 H ATOM 47826 H2 TIP3 93 56.917 67.000 53.828 1.00 0.00 WT4 H ATOM 47827 OH2 TIP3 107 74.588 77.363 63.589 1.00 0.00 WT4 O ATOM 47828 H1 TIP3 107 73.773 77.646 64.004 1.00 0.00 WT4 H ATOM 47829 H2 TIP3 107 75.262 77.918 63.981 1.00 0.00 WT4 H ATOM 47830 OH2 TIP3 108 75.169 66.155 7.153 1.00 0.00 WT4 O ATOM 47831 H1 TIP3 108 74.370 66.630 7.382 1.00 0.00 WT4 H ATOM 47832 H2 TIP3 108 75.576 65.951 7.994 1.00 0.00 WT4 H ATOM 47833 OH2 TIP3 109 53.896 57.009 -11.480 1.00 0.00 WT4 O ATOM 47834 H1 TIP3 109 54.766 57.151 -11.107 1.00 0.00 WT4 H ATOM 47835 H2 TIP3 109 53.526 57.888 -11.567 1.00 0.00 WT4 H ATOM 47836 OH2 TIP3 110 43.381 93.122 66.226 1.00 0.00 WT4 O ATOM 47837 H1 TIP3 110 44.337 93.101 66.276 1.00 0.00 WT4 H ATOM 47838 H2 TIP3 110 43.092 93.019 67.132 1.00 0.00 WT4 H ATOM 47839 OH2 TIP3 111 42.237 49.152 32.104 1.00 0.00 WT4 O ATOM 47840 H1 TIP3 111 42.536 49.713 32.820 1.00 0.00 WT4 H ATOM 47841 H2 TIP3 111 41.565 49.669 31.659 1.00 0.00 WT4 H ATOM 47842 OH2 TIP3 112 23.483 8.973 43.535 1.00 0.00 WT4 O ATOM 47843 H1 TIP3 112 24.113 9.530 43.078 1.00 0.00 WT4 H ATOM 47844 H2 TIP3 112 23.104 8.425 42.848 1.00 0.00 WT4 H ATOM 47845 OH2 TIP3 113 86.241 79.054 -18.925 1.00 0.00 WT4 O ATOM 47846 H1 TIP3 113 86.267 78.128 -18.683 1.00 0.00 WT4 H ATOM 47847 H2 TIP3 113 85.936 79.499 -18.135 1.00 0.00 WT4 H ATOM 47848 OH2 TIP3 114 24.123 61.378 -10.630 1.00 0.00 WT4 O ATOM 47849 H1 TIP3 114 24.832 60.995 -11.146 1.00 0.00 WT4 H ATOM 47850 H2 TIP3 114 23.695 61.990 -11.227 1.00 0.00 WT4 H ATOM 47851 OH2 TIP3 129 60.353 28.102 28.211 1.00 0.00 WT4 O ATOM 47852 H1 TIP3 129 59.896 28.666 27.586 1.00 0.00 WT4 H ATOM 47853 H2 TIP3 129 59.930 28.282 29.050 1.00 0.00 WT4 H ATOM 47854 OH2 TIP3 130 35.319 24.795 45.248 1.00 0.00 WT4 O ATOM 47855 H1 TIP3 130 35.199 23.928 44.861 1.00 0.00 WT4 H ATOM 47856 H2 TIP3 130 36.079 24.699 45.822 1.00 0.00 WT4 H ATOM 47857 OH2 TIP3 132 66.666 69.985 -7.265 1.00 0.00 WT4 O ATOM 47858 H1 TIP3 132 66.506 69.727 -6.357 1.00 0.00 WT4 H ATOM 47859 H2 TIP3 132 66.428 69.214 -7.779 1.00 0.00 WT4 H ATOM 47860 OH2 TIP3 133 81.286 92.432 50.109 1.00 0.00 WT4 O ATOM 47861 H1 TIP3 133 80.759 92.093 49.386 1.00 0.00 WT4 H ATOM 47862 H2 TIP3 133 80.657 92.586 50.814 1.00 0.00 WT4 H ATOM 47863 OH2 TIP3 144 22.301 16.823 4.185 1.00 0.00 WT4 O ATOM 47864 H1 TIP3 144 23.076 17.321 3.924 1.00 0.00 WT4 H ATOM 47865 H2 TIP3 144 21.726 16.856 3.420 1.00 0.00 WT4 H ATOM 47866 OH2 TIP3 145 66.446 83.082 20.534 1.00 0.00 WT4 O ATOM 47867 H1 TIP3 145 66.154 82.336 20.010 1.00 0.00 WT4 H ATOM 47868 H2 TIP3 145 66.115 83.849 20.066 1.00 0.00 WT4 H ATOM 47869 OH2 TIP3 149 42.561 39.589 63.750 1.00 0.00 WT4 O ATOM 47870 H1 TIP3 149 42.910 38.700 63.682 1.00 0.00 WT4 H ATOM 47871 H2 TIP3 149 42.266 39.799 62.864 1.00 0.00 WT4 H ATOM 47872 OH2 TIP3 150 77.980 94.110 23.395 1.00 0.00 WT4 O ATOM 47873 H1 TIP3 150 78.022 94.647 24.186 1.00 0.00 WT4 H ATOM 47874 H2 TIP3 150 77.150 93.638 23.469 1.00 0.00 WT4 H ATOM 47875 OH2 TIP3 151 43.581 15.812 38.489 1.00 0.00 WT4 O ATOM 47876 H1 TIP3 151 44.260 16.179 37.923 1.00 0.00 WT4 H ATOM 47877 H2 TIP3 151 43.750 14.870 38.486 1.00 0.00 WT4 H ATOM 47878 OH2 TIP3 152 23.959 57.942 64.806 1.00 0.00 WT4 O ATOM 47879 H1 TIP3 152 24.183 58.784 65.203 1.00 0.00 WT4 H ATOM 47880 H2 TIP3 152 23.725 58.157 63.903 1.00 0.00 WT4 H ATOM 47881 OH2 TIP3 154 89.622 41.198 3.591 1.00 0.00 WT4 O ATOM 47882 H1 TIP3 154 89.787 41.810 2.874 1.00 0.00 WT4 H ATOM 47883 H2 TIP3 154 88.819 40.743 3.339 1.00 0.00 WT4 H ATOM 47884 OH2 TIP3 167 38.344 88.944 61.279 1.00 0.00 WT4 O ATOM 47885 H1 TIP3 167 37.639 88.315 61.120 1.00 0.00 WT4 H ATOM 47886 H2 TIP3 167 37.902 89.791 61.331 1.00 0.00 WT4 H ATOM 47887 OH2 TIP3 171 36.659 81.996 -13.443 1.00 0.00 WT4 O ATOM 47888 H1 TIP3 171 36.392 82.912 -13.370 1.00 0.00 WT4 H ATOM 47889 H2 TIP3 171 37.464 81.939 -12.928 1.00 0.00 WT4 H ATOM 47890 OH2 TIP3 192 75.205 34.184 64.219 1.00 0.00 WT4 O ATOM 47891 H1 TIP3 192 74.626 34.923 64.406 1.00 0.00 WT4 H ATOM 47892 H2 TIP3 192 75.977 34.340 64.765 1.00 0.00 WT4 H ATOM 47893 OH2 TIP3 193 61.896 35.506 -11.937 1.00 0.00 WT4 O ATOM 47894 H1 TIP3 193 61.334 35.967 -11.314 1.00 0.00 WT4 H ATOM 47895 H2 TIP3 193 62.129 34.691 -11.492 1.00 0.00 WT4 H ATOM 47896 OH2 TIP3 212 90.018 11.738 49.867 1.00 0.00 WT4 O ATOM 47897 H1 TIP3 212 90.945 11.973 49.877 1.00 0.00 WT4 H ATOM 47898 H2 TIP3 212 89.667 12.111 50.676 1.00 0.00 WT4 H ATOM 47899 OH2 TIP3 236 88.534 70.415 63.578 1.00 0.00 WT4 O ATOM 47900 H1 TIP3 236 87.619 70.206 63.390 1.00 0.00 WT4 H ATOM 47901 H2 TIP3 236 88.700 70.019 64.434 1.00 0.00 WT4 H ATOM 47902 OH2 TIP3 237 81.309 96.368 12.973 1.00 0.00 WT4 O ATOM 47903 H1 TIP3 237 80.557 96.961 12.969 1.00 0.00 WT4 H ATOM 47904 H2 TIP3 237 80.953 95.527 12.689 1.00 0.00 WT4 H ATOM 47905 OH2 TIP3 239 47.187 32.636 48.072 1.00 0.00 WT4 O ATOM 47906 H1 TIP3 239 47.847 32.745 48.756 1.00 0.00 WT4 H ATOM 47907 H2 TIP3 239 46.817 33.511 47.954 1.00 0.00 WT4 H ATOM 47908 OH2 TIP3 256 70.964 63.868 33.003 1.00 0.00 WT4 O ATOM 47909 H1 TIP3 256 71.170 64.391 32.228 1.00 0.00 WT4 H ATOM 47910 H2 TIP3 256 70.767 62.997 32.659 1.00 0.00 WT4 H ATOM 47911 OH2 TIP3 407 89.483 46.531 59.596 1.00 0.00 WT4 O ATOM 47912 H1 TIP3 407 89.371 46.941 60.455 1.00 0.00 WT4 H ATOM 47913 H2 TIP3 407 89.112 45.655 59.698 1.00 0.00 WT4 H ATOM 47914 OH2 TIP3 430 81.409 72.212 -2.834 1.00 0.00 WT4 O ATOM 47915 H1 TIP3 430 80.509 72.448 -3.059 1.00 0.00 WT4 H ATOM 47916 H2 TIP3 430 81.324 71.412 -2.315 1.00 0.00 WT4 H ATOM 47917 OH2 TIP3 443 77.285 68.328 -4.448 1.00 0.00 WT4 O ATOM 47918 H1 TIP3 443 76.552 68.779 -4.029 1.00 0.00 WT4 H ATOM 47919 H2 TIP3 443 77.469 67.584 -3.875 1.00 0.00 WT4 H ATOM 47920 OH2 TIP3 444 60.316 80.772 12.701 1.00 0.00 WT4 O ATOM 47921 H1 TIP3 444 59.871 80.073 13.181 1.00 0.00 WT4 H ATOM 47922 H2 TIP3 444 60.549 81.413 13.373 1.00 0.00 WT4 H ATOM 47923 OH2 TIP3 447 55.978 78.947 62.304 1.00 0.00 WT4 O ATOM 47924 H1 TIP3 447 56.916 78.778 62.381 1.00 0.00 WT4 H ATOM 47925 H2 TIP3 447 55.858 79.225 61.396 1.00 0.00 WT4 H ATOM 47926 OH2 TIP3 449 23.267 72.868 65.250 1.00 0.00 WT4 O ATOM 47927 H1 TIP3 449 22.801 73.701 65.184 1.00 0.00 WT4 H ATOM 47928 H2 TIP3 449 22.717 72.330 65.820 1.00 0.00 WT4 H ATOM 47929 OH2 TIP3 450 43.740 26.387 5.060 1.00 0.00 WT4 O ATOM 47930 H1 TIP3 450 44.319 27.084 4.753 1.00 0.00 WT4 H ATOM 47931 H2 TIP3 450 43.743 26.475 6.013 1.00 0.00 WT4 H ATOM 47932 OH2 TIP3 465 26.482 62.167 11.842 1.00 0.00 WT4 O ATOM 47933 H1 TIP3 465 26.625 61.441 12.448 1.00 0.00 WT4 H ATOM 47934 H2 TIP3 465 25.628 62.521 12.087 1.00 0.00 WT4 H ATOM 47935 OH2 TIP3 466 89.264 52.186 58.232 1.00 0.00 WT4 O ATOM 47936 H1 TIP3 466 89.816 52.685 58.833 1.00 0.00 WT4 H ATOM 47937 H2 TIP3 466 89.148 51.337 58.660 1.00 0.00 WT4 H ATOM 47938 OH2 TIP3 467 22.896 85.271 46.224 1.00 0.00 WT4 O ATOM 47939 H1 TIP3 467 22.847 84.771 45.409 1.00 0.00 WT4 H ATOM 47940 H2 TIP3 467 23.338 86.084 45.980 1.00 0.00 WT4 H ATOM 47941 OH2 TIP3 469 63.811 45.362 57.894 1.00 0.00 WT4 O ATOM 47942 H1 TIP3 469 63.661 46.220 58.292 1.00 0.00 WT4 H ATOM 47943 H2 TIP3 469 63.033 44.852 58.122 1.00 0.00 WT4 H ATOM 47944 OH2 TIP3 478 33.531 75.688 11.555 1.00 0.00 WT4 O ATOM 47945 H1 TIP3 478 33.341 74.774 11.767 1.00 0.00 WT4 H ATOM 47946 H2 TIP3 478 32.670 76.092 11.446 1.00 0.00 WT4 H ATOM 47947 OH2 TIP3 484 30.747 76.164 18.224 1.00 0.00 WT4 O ATOM 47948 H1 TIP3 484 31.609 76.282 18.623 1.00 0.00 WT4 H ATOM 47949 H2 TIP3 484 30.462 75.300 18.521 1.00 0.00 WT4 H ATOM 47950 OH2 TIP3 485 27.630 67.981 60.648 1.00 0.00 WT4 O ATOM 47951 H1 TIP3 485 27.604 68.897 60.926 1.00 0.00 WT4 H ATOM 47952 H2 TIP3 485 26.882 67.888 60.058 1.00 0.00 WT4 H ATOM 47953 OH2 TIP3 486 85.301 41.531 19.273 1.00 0.00 WT4 O ATOM 47954 H1 TIP3 486 84.665 41.092 18.708 1.00 0.00 WT4 H ATOM 47955 H2 TIP3 486 85.412 42.397 18.882 1.00 0.00 WT4 H ATOM 47956 OH2 TIP3 488 83.863 52.549 59.171 1.00 0.00 WT4 O ATOM 47957 H1 TIP3 488 83.722 53.256 59.801 1.00 0.00 WT4 H ATOM 47958 H2 TIP3 488 82.988 52.203 58.997 1.00 0.00 WT4 H ATOM 47959 OH2 TIP3 489 29.601 15.950 -11.371 1.00 0.00 WT4 O ATOM 47960 H1 TIP3 489 29.012 16.371 -10.745 1.00 0.00 WT4 H ATOM 47961 H2 TIP3 489 29.675 15.047 -11.061 1.00 0.00 WT4 H ATOM 47962 OH2 TIP3 492 47.545 22.272 55.204 1.00 0.00 WT4 O ATOM 47963 H1 TIP3 492 48.448 22.297 55.519 1.00 0.00 WT4 H ATOM 47964 H2 TIP3 492 47.074 22.877 55.777 1.00 0.00 WT4 H ATOM 47965 OH2 TIP3 503 25.667 61.097 39.945 1.00 0.00 WT4 O ATOM 47966 H1 TIP3 503 25.434 61.656 39.205 1.00 0.00 WT4 H ATOM 47967 H2 TIP3 503 26.501 61.448 40.258 1.00 0.00 WT4 H ATOM 47968 OH2 TIP3 506 67.174 94.578 63.996 1.00 0.00 WT4 O ATOM 47969 H1 TIP3 506 66.932 93.736 64.381 1.00 0.00 WT4 H ATOM 47970 H2 TIP3 506 66.832 95.229 64.609 1.00 0.00 WT4 H ATOM 47971 OH2 TIP3 507 24.843 73.307 -4.792 1.00 0.00 WT4 O ATOM 47972 H1 TIP3 507 25.066 73.791 -5.587 1.00 0.00 WT4 H ATOM 47973 H2 TIP3 507 25.679 72.957 -4.483 1.00 0.00 WT4 H ATOM 47974 OH2 TIP3 508 44.632 1.521 32.531 1.00 0.00 WT4 O ATOM 47975 H1 TIP3 508 44.593 0.782 31.923 1.00 0.00 WT4 H ATOM 47976 H2 TIP3 508 45.294 1.267 33.174 1.00 0.00 WT4 H ATOM 47977 OH2 TIP3 509 30.827 83.582 -9.456 1.00 0.00 WT4 O ATOM 47978 H1 TIP3 509 30.654 83.322 -8.551 1.00 0.00 WT4 H ATOM 47979 H2 TIP3 509 30.588 84.508 -9.489 1.00 0.00 WT4 H ATOM 47980 OH2 TIP3 511 85.014 76.299 14.237 1.00 0.00 WT4 O ATOM 47981 H1 TIP3 511 85.946 76.415 14.424 1.00 0.00 WT4 H ATOM 47982 H2 TIP3 511 84.937 76.461 13.297 1.00 0.00 WT4 H ATOM 47983 OH2 TIP3 512 71.025 60.111 54.406 1.00 0.00 WT4 O ATOM 47984 H1 TIP3 512 70.249 60.056 54.964 1.00 0.00 WT4 H ATOM 47985 H2 TIP3 512 71.326 61.014 54.502 1.00 0.00 WT4 H ATOM 47986 OH2 TIP3 513 36.803 6.791 59.146 1.00 0.00 WT4 O ATOM 47987 H1 TIP3 513 37.512 6.422 59.673 1.00 0.00 WT4 H ATOM 47988 H2 TIP3 513 36.971 7.733 59.144 1.00 0.00 WT4 H ATOM 47989 OH2 TIP3 517 66.610 75.548 -11.330 1.00 0.00 WT4 O ATOM 47990 H1 TIP3 517 65.778 75.541 -11.803 1.00 0.00 WT4 H ATOM 47991 H2 TIP3 517 67.277 75.513 -12.016 1.00 0.00 WT4 H ATOM 47992 OH2 TIP3 528 51.504 67.782 -17.735 1.00 0.00 WT4 O ATOM 47993 H1 TIP3 528 51.167 67.646 -16.850 1.00 0.00 WT4 H ATOM 47994 H2 TIP3 528 51.603 66.900 -18.093 1.00 0.00 WT4 H ATOM 47995 OH2 TIP3 529 22.153 73.032 -5.390 1.00 0.00 WT4 O ATOM 47996 H1 TIP3 529 22.539 72.182 -5.177 1.00 0.00 WT4 H ATOM 47997 H2 TIP3 529 22.895 73.637 -5.398 1.00 0.00 WT4 H ATOM 47998 OH2 TIP3 530 45.388 88.939 -2.114 1.00 0.00 WT4 O ATOM 47999 H1 TIP3 530 46.160 88.854 -1.555 1.00 0.00 WT4 H ATOM 48000 H2 TIP3 530 45.051 89.815 -1.925 1.00 0.00 WT4 H ATOM 48001 OH2 TIP3 532 28.584 2.048 49.247 1.00 0.00 WT4 O ATOM 48002 H1 TIP3 532 28.844 2.597 48.508 1.00 0.00 WT4 H ATOM 48003 H2 TIP3 532 28.275 1.235 48.846 1.00 0.00 WT4 H ATOM 48004 OH2 TIP3 533 46.237 63.379 -5.472 1.00 0.00 WT4 O ATOM 48005 H1 TIP3 533 46.639 62.946 -4.719 1.00 0.00 WT4 H ATOM 48006 H2 TIP3 533 45.307 63.434 -5.250 1.00 0.00 WT4 H ATOM 48007 OH2 TIP3 535 33.158 83.090 38.333 1.00 0.00 WT4 O ATOM 48008 H1 TIP3 535 33.301 82.514 37.582 1.00 0.00 WT4 H ATOM 48009 H2 TIP3 535 34.023 83.183 38.732 1.00 0.00 WT4 H ATOM 48010 OH2 TIP3 543 30.830 40.735 -4.978 1.00 0.00 WT4 O ATOM 48011 H1 TIP3 543 31.481 41.202 -4.453 1.00 0.00 WT4 H ATOM 48012 H2 TIP3 543 30.389 40.158 -4.354 1.00 0.00 WT4 H ATOM 48013 OH2 TIP3 547 42.246 82.378 6.368 1.00 0.00 WT4 O ATOM 48014 H1 TIP3 547 43.109 82.636 6.043 1.00 0.00 WT4 H ATOM 48015 H2 TIP3 547 42.227 82.690 7.272 1.00 0.00 WT4 H ATOM 48016 OH2 TIP3 549 86.590 78.044 56.973 1.00 0.00 WT4 O ATOM 48017 H1 TIP3 549 86.339 78.687 57.636 1.00 0.00 WT4 H ATOM 48018 H2 TIP3 549 86.105 77.253 57.211 1.00 0.00 WT4 H ATOM 48019 OH2 TIP3 550 70.311 17.810 61.748 1.00 0.00 WT4 O ATOM 48020 H1 TIP3 550 69.453 17.613 62.122 1.00 0.00 WT4 H ATOM 48021 H2 TIP3 550 70.170 17.794 60.801 1.00 0.00 WT4 H ATOM 48022 OH2 TIP3 551 86.857 12.085 -18.025 1.00 0.00 WT4 O ATOM 48023 H1 TIP3 551 86.918 12.132 -17.071 1.00 0.00 WT4 H ATOM 48024 H2 TIP3 551 86.221 12.760 -18.259 1.00 0.00 WT4 H ATOM 48025 OH2 TIP3 554 44.439 76.890 11.142 1.00 0.00 WT4 O ATOM 48026 H1 TIP3 554 44.452 76.091 10.616 1.00 0.00 WT4 H ATOM 48027 H2 TIP3 554 45.199 77.388 10.842 1.00 0.00 WT4 H ATOM 48028 OH2 TIP3 558 38.396 13.602 17.875 1.00 0.00 WT4 O ATOM 48029 H1 TIP3 558 38.767 14.073 17.129 1.00 0.00 WT4 H ATOM 48030 H2 TIP3 558 39.042 13.709 18.572 1.00 0.00 WT4 H ATOM 48031 OH2 TIP3 562 69.399 22.403 44.002 1.00 0.00 WT4 O ATOM 48032 H1 TIP3 562 69.408 22.742 44.897 1.00 0.00 WT4 H ATOM 48033 H2 TIP3 562 69.372 21.452 44.105 1.00 0.00 WT4 H ATOM 48034 OH2 TIP3 568 66.476 60.791 -0.222 1.00 0.00 WT4 O ATOM 48035 H1 TIP3 568 66.550 60.145 0.481 1.00 0.00 WT4 H ATOM 48036 H2 TIP3 568 66.928 61.565 0.115 1.00 0.00 WT4 H ATOM 48037 OH2 TIP3 572 76.409 70.828 -13.936 1.00 0.00 WT4 O ATOM 48038 H1 TIP3 572 76.454 71.421 -13.186 1.00 0.00 WT4 H ATOM 48039 H2 TIP3 572 76.967 70.090 -13.691 1.00 0.00 WT4 H ATOM 48040 OH2 TIP3 573 22.190 4.409 56.741 1.00 0.00 WT4 O ATOM 48041 H1 TIP3 573 22.830 5.111 56.862 1.00 0.00 WT4 H ATOM 48042 H2 TIP3 573 21.482 4.621 57.349 1.00 0.00 WT4 H ATOM 48043 OH2 TIP3 574 71.320 82.608 45.670 1.00 0.00 WT4 O ATOM 48044 H1 TIP3 574 72.265 82.750 45.616 1.00 0.00 WT4 H ATOM 48045 H2 TIP3 574 71.206 82.041 46.432 1.00 0.00 WT4 H ATOM 48046 OH2 TIP3 575 24.863 48.085 50.591 1.00 0.00 WT4 O ATOM 48047 H1 TIP3 575 23.978 47.909 50.910 1.00 0.00 WT4 H ATOM 48048 H2 TIP3 575 25.433 47.840 51.321 1.00 0.00 WT4 H ATOM 48049 OH2 TIP3 584 81.037 84.554 -11.761 1.00 0.00 WT4 O ATOM 48050 H1 TIP3 584 80.281 85.109 -11.567 1.00 0.00 WT4 H ATOM 48051 H2 TIP3 584 81.744 84.916 -11.227 1.00 0.00 WT4 H ATOM 48052 OH2 TIP3 591 28.673 50.953 51.838 1.00 0.00 WT4 O ATOM 48053 H1 TIP3 591 29.253 50.780 52.580 1.00 0.00 WT4 H ATOM 48054 H2 TIP3 591 28.611 50.114 51.382 1.00 0.00 WT4 H ATOM 48055 OH2 TIP3 592 82.127 38.770 14.870 1.00 0.00 WT4 O ATOM 48056 H1 TIP3 592 81.198 38.620 14.699 1.00 0.00 WT4 H ATOM 48057 H2 TIP3 592 82.142 39.498 15.492 1.00 0.00 WT4 H ATOM 48058 OH2 TIP3 593 59.640 77.148 51.728 1.00 0.00 WT4 O ATOM 48059 H1 TIP3 593 59.236 77.831 51.193 1.00 0.00 WT4 H ATOM 48060 H2 TIP3 593 59.043 76.403 51.657 1.00 0.00 WT4 H ATOM 48061 OH2 TIP3 594 49.762 66.890 8.739 1.00 0.00 WT4 O ATOM 48062 H1 TIP3 594 49.341 67.359 9.460 1.00 0.00 WT4 H ATOM 48063 H2 TIP3 594 50.240 66.178 9.164 1.00 0.00 WT4 H ATOM 48064 OH2 TIP3 595 84.433 13.861 65.451 1.00 0.00 WT4 O ATOM 48065 H1 TIP3 595 85.162 13.276 65.657 1.00 0.00 WT4 H ATOM 48066 H2 TIP3 595 83.679 13.471 65.894 1.00 0.00 WT4 H ATOM 48067 OH2 TIP3 612 71.547 6.710 41.565 1.00 0.00 WT4 O ATOM 48068 H1 TIP3 612 70.831 6.347 42.086 1.00 0.00 WT4 H ATOM 48069 H2 TIP3 612 72.340 6.463 42.041 1.00 0.00 WT4 H ATOM 48070 OH2 TIP3 613 56.315 85.832 49.980 1.00 0.00 WT4 O ATOM 48071 H1 TIP3 613 55.715 85.814 49.234 1.00 0.00 WT4 H ATOM 48072 H2 TIP3 613 55.940 85.211 50.605 1.00 0.00 WT4 H ATOM 48073 OH2 TIP3 617 82.250 93.053 47.017 1.00 0.00 WT4 O ATOM 48074 H1 TIP3 617 82.663 92.736 47.820 1.00 0.00 WT4 H ATOM 48075 H2 TIP3 617 82.411 93.997 47.022 1.00 0.00 WT4 H ATOM 48076 OH2 TIP3 632 58.672 48.782 3.196 1.00 0.00 WT4 O ATOM 48077 H1 TIP3 632 59.617 48.934 3.226 1.00 0.00 WT4 H ATOM 48078 H2 TIP3 632 58.470 48.711 2.263 1.00 0.00 WT4 H ATOM 48079 OH2 TIP3 634 38.417 82.159 62.821 1.00 0.00 WT4 O ATOM 48080 H1 TIP3 634 38.311 82.742 62.070 1.00 0.00 WT4 H ATOM 48081 H2 TIP3 634 38.251 81.283 62.471 1.00 0.00 WT4 H ATOM 48082 OH2 TIP3 635 79.661 42.711 26.713 1.00 0.00 WT4 O ATOM 48083 H1 TIP3 635 79.294 41.836 26.832 1.00 0.00 WT4 H ATOM 48084 H2 TIP3 635 79.919 42.740 25.792 1.00 0.00 WT4 H ATOM 48085 OH2 TIP3 638 33.648 38.803 25.101 1.00 0.00 WT4 O ATOM 48086 H1 TIP3 638 34.326 38.141 25.237 1.00 0.00 WT4 H ATOM 48087 H2 TIP3 638 33.788 39.109 24.205 1.00 0.00 WT4 H ATOM 48088 OH2 TIP3 640 44.534 13.560 53.832 1.00 0.00 WT4 O ATOM 48089 H1 TIP3 640 44.440 13.680 54.777 1.00 0.00 WT4 H ATOM 48090 H2 TIP3 640 45.370 13.974 53.619 1.00 0.00 WT4 H ATOM 48091 OH2 TIP3 656 70.433 89.979 34.354 1.00 0.00 WT4 O ATOM 48092 H1 TIP3 656 69.593 90.088 34.799 1.00 0.00 WT4 H ATOM 48093 H2 TIP3 656 70.337 89.168 33.855 1.00 0.00 WT4 H ATOM 48094 OH2 TIP3 659 89.656 66.773 4.113 1.00 0.00 WT4 O ATOM 48095 H1 TIP3 659 90.357 66.153 3.914 1.00 0.00 WT4 H ATOM 48096 H2 TIP3 659 89.466 66.631 5.040 1.00 0.00 WT4 H ATOM 48097 OH2 TIP3 660 30.170 17.090 -6.055 1.00 0.00 WT4 O ATOM 48098 H1 TIP3 660 31.080 17.304 -5.849 1.00 0.00 WT4 H ATOM 48099 H2 TIP3 660 29.682 17.334 -5.268 1.00 0.00 WT4 H ATOM 48100 OH2 TIP3 682 30.154 53.809 -7.760 1.00 0.00 WT4 O ATOM 48101 H1 TIP3 682 30.545 52.990 -8.064 1.00 0.00 WT4 H ATOM 48102 H2 TIP3 682 30.887 54.305 -7.396 1.00 0.00 WT4 H ATOM 48103 OH2 TIP3 695 85.360 78.496 27.690 1.00 0.00 WT4 O ATOM 48104 H1 TIP3 695 84.657 78.417 28.335 1.00 0.00 WT4 H ATOM 48105 H2 TIP3 695 85.585 77.592 27.470 1.00 0.00 WT4 H ATOM 48106 OH2 TIP3 697 65.043 48.715 8.209 1.00 0.00 WT4 O ATOM 48107 H1 TIP3 697 65.548 49.456 8.545 1.00 0.00 WT4 H ATOM 48108 H2 TIP3 697 64.799 48.218 8.990 1.00 0.00 WT4 H ATOM 48109 OH2 TIP3 758 90.666 59.589 -0.115 1.00 0.00 WT4 O ATOM 48110 H1 TIP3 758 89.984 60.261 -0.096 1.00 0.00 WT4 H ATOM 48111 H2 TIP3 758 91.419 60.023 -0.516 1.00 0.00 WT4 H ATOM 48112 OH2 TIP3 805 64.531 19.056 65.873 1.00 0.00 WT4 O ATOM 48113 H1 TIP3 805 63.886 19.565 66.364 1.00 0.00 WT4 H ATOM 48114 H2 TIP3 805 65.163 19.704 65.563 1.00 0.00 WT4 H ATOM 48115 OH2 TIP3 822 80.687 47.007 38.270 1.00 0.00 WT4 O ATOM 48116 H1 TIP3 822 80.827 46.902 39.211 1.00 0.00 WT4 H ATOM 48117 H2 TIP3 822 80.103 46.287 38.031 1.00 0.00 WT4 H ATOM 48118 OH2 TIP3 848 40.930 55.721 2.039 1.00 0.00 WT4 O ATOM 48119 H1 TIP3 848 41.803 56.049 2.256 1.00 0.00 WT4 H ATOM 48120 H2 TIP3 848 40.367 56.494 2.080 1.00 0.00 WT4 H ATOM 48121 OH2 TIP3 849 33.622 45.177 6.850 1.00 0.00 WT4 O ATOM 48122 H1 TIP3 849 34.486 45.166 6.438 1.00 0.00 WT4 H ATOM 48123 H2 TIP3 849 33.798 45.363 7.772 1.00 0.00 WT4 H ATOM 48124 OH2 TIP3 866 43.121 54.644 56.966 1.00 0.00 WT4 O ATOM 48125 H1 TIP3 866 42.570 54.326 57.682 1.00 0.00 WT4 H ATOM 48126 H2 TIP3 866 44.004 54.359 57.199 1.00 0.00 WT4 H ATOM 48127 OH2 TIP3 867 22.772 63.181 2.806 1.00 0.00 WT4 O ATOM 48128 H1 TIP3 867 23.430 62.947 3.461 1.00 0.00 WT4 H ATOM 48129 H2 TIP3 867 23.261 63.238 1.985 1.00 0.00 WT4 H ATOM 48130 OH2 TIP3 887 55.268 23.498 41.661 1.00 0.00 WT4 O ATOM 48131 H1 TIP3 887 54.649 23.841 42.306 1.00 0.00 WT4 H ATOM 48132 H2 TIP3 887 56.106 23.896 41.898 1.00 0.00 WT4 H ATOM 48133 OH2 TIP3 888 60.066 27.270 1.171 1.00 0.00 WT4 O ATOM 48134 H1 TIP3 888 59.801 28.026 0.648 1.00 0.00 WT4 H ATOM 48135 H2 TIP3 888 60.605 27.639 1.871 1.00 0.00 WT4 H ATOM 48136 OH2 TIP3 891 38.297 43.482 42.013 1.00 0.00 WT4 O ATOM 48137 H1 TIP3 891 37.394 43.431 41.700 1.00 0.00 WT4 H ATOM 48138 H2 TIP3 891 38.219 43.742 42.931 1.00 0.00 WT4 H ATOM 48139 OH2 TIP3 906 24.130 23.643 -12.007 1.00 0.00 WT4 O ATOM 48140 H1 TIP3 906 24.929 23.800 -11.504 1.00 0.00 WT4 H ATOM 48141 H2 TIP3 906 23.920 22.723 -11.843 1.00 0.00 WT4 H ATOM 48142 OH2 TIP3 908 88.554 47.591 37.040 1.00 0.00 WT4 O ATOM 48143 H1 TIP3 908 88.134 48.442 36.913 1.00 0.00 WT4 H ATOM 48144 H2 TIP3 908 88.343 47.352 37.942 1.00 0.00 WT4 H ATOM 48145 OH2 TIP3 912 58.230 50.641 54.882 1.00 0.00 WT4 O ATOM 48146 H1 TIP3 912 58.248 50.802 53.939 1.00 0.00 WT4 H ATOM 48147 H2 TIP3 912 57.925 51.465 55.261 1.00 0.00 WT4 H ATOM 48148 OH2 TIP3 924 45.764 41.983 -1.134 1.00 0.00 WT4 O ATOM 48149 H1 TIP3 924 44.976 42.473 -0.900 1.00 0.00 WT4 H ATOM 48150 H2 TIP3 924 46.154 41.739 -0.295 1.00 0.00 WT4 H ATOM 48151 OH2 TIP3 927 67.948 36.661 38.474 1.00 0.00 WT4 O ATOM 48152 H1 TIP3 927 67.904 37.121 37.636 1.00 0.00 WT4 H ATOM 48153 H2 TIP3 927 67.975 37.358 39.130 1.00 0.00 WT4 H ATOM 48154 OH2 TIP3 928 54.246 43.566 -7.569 1.00 0.00 WT4 O ATOM 48155 H1 TIP3 928 55.123 43.189 -7.497 1.00 0.00 WT4 H ATOM 48156 H2 TIP3 928 54.046 43.878 -6.687 1.00 0.00 WT4 H ATOM 48157 OH2 TIP3 929 39.233 30.415 23.276 1.00 0.00 WT4 O ATOM 48158 H1 TIP3 929 40.175 30.308 23.408 1.00 0.00 WT4 H ATOM 48159 H2 TIP3 929 39.086 31.358 23.343 1.00 0.00 WT4 H ATOM 48160 OH2 TIP3 930 50.215 14.229 21.491 1.00 0.00 WT4 O ATOM 48161 H1 TIP3 930 50.911 14.883 21.564 1.00 0.00 WT4 H ATOM 48162 H2 TIP3 930 49.438 14.667 21.838 1.00 0.00 WT4 H ATOM 48163 OH2 TIP3 932 83.862 78.000 47.000 1.00 0.00 WT4 O ATOM 48164 H1 TIP3 932 84.149 78.219 46.113 1.00 0.00 WT4 H ATOM 48165 H2 TIP3 932 83.334 78.751 47.273 1.00 0.00 WT4 H ATOM 48166 OH2 TIP3 942 49.963 46.184 60.930 1.00 0.00 WT4 O ATOM 48167 H1 TIP3 942 49.588 46.828 60.329 1.00 0.00 WT4 H ATOM 48168 H2 TIP3 942 50.116 45.410 60.388 1.00 0.00 WT4 H ATOM 48169 OH2 TIP3 947 51.017 77.465 -18.734 1.00 0.00 WT4 O ATOM 48170 H1 TIP3 947 50.159 77.041 -18.769 1.00 0.00 WT4 H ATOM 48171 H2 TIP3 947 51.179 77.604 -17.801 1.00 0.00 WT4 H ATOM 48172 OH2 TIP3 948 25.512 72.986 53.457 1.00 0.00 WT4 O ATOM 48173 H1 TIP3 948 25.597 72.429 52.683 1.00 0.00 WT4 H ATOM 48174 H2 TIP3 948 26.108 73.717 53.293 1.00 0.00 WT4 H ATOM 48175 OH2 TIP3 950 74.755 73.991 59.579 1.00 0.00 WT4 O ATOM 48176 H1 TIP3 950 74.697 74.341 60.469 1.00 0.00 WT4 H ATOM 48177 H2 TIP3 950 74.695 73.042 59.690 1.00 0.00 WT4 H ATOM 48178 OH2 TIP3 951 66.121 75.832 32.420 1.00 0.00 WT4 O ATOM 48179 H1 TIP3 951 65.564 75.753 33.195 1.00 0.00 WT4 H ATOM 48180 H2 TIP3 951 66.162 74.944 32.064 1.00 0.00 WT4 H ATOM 48181 OH2 TIP3 952 45.291 74.992 25.372 1.00 0.00 WT4 O ATOM 48182 H1 TIP3 952 44.809 74.573 24.659 1.00 0.00 WT4 H ATOM 48183 H2 TIP3 952 46.119 74.514 25.415 1.00 0.00 WT4 H ATOM 48184 OH2 TIP3 953 51.412 55.319 63.373 1.00 0.00 WT4 O ATOM 48185 H1 TIP3 953 50.606 54.809 63.453 1.00 0.00 WT4 H ATOM 48186 H2 TIP3 953 51.887 55.146 64.186 1.00 0.00 WT4 H ATOM 48187 OH2 TIP3 956 66.849 8.150 65.714 1.00 0.00 WT4 O ATOM 48188 H1 TIP3 956 66.379 8.818 66.213 1.00 0.00 WT4 H ATOM 48189 H2 TIP3 956 66.161 7.590 65.355 1.00 0.00 WT4 H ATOM 48190 OH2 TIP3 964 25.437 16.040 10.781 1.00 0.00 WT4 O ATOM 48191 H1 TIP3 964 24.536 16.310 10.602 1.00 0.00 WT4 H ATOM 48192 H2 TIP3 964 25.874 16.087 9.930 1.00 0.00 WT4 H ATOM 48193 OH2 TIP3 970 35.959 77.189 2.849 1.00 0.00 WT4 O ATOM 48194 H1 TIP3 970 36.190 77.142 3.776 1.00 0.00 WT4 H ATOM 48195 H2 TIP3 970 35.183 77.749 2.823 1.00 0.00 WT4 H ATOM 48196 OH2 TIP3 972 26.096 73.324 65.605 1.00 0.00 WT4 O ATOM 48197 H1 TIP3 972 25.149 73.365 65.468 1.00 0.00 WT4 H ATOM 48198 H2 TIP3 972 26.224 72.562 66.170 1.00 0.00 WT4 H ATOM 48199 OH2 TIP3 974 35.570 39.323 38.660 1.00 0.00 WT4 O ATOM 48200 H1 TIP3 974 34.772 39.634 38.233 1.00 0.00 WT4 H ATOM 48201 H2 TIP3 974 36.061 38.888 37.963 1.00 0.00 WT4 H ATOM 48202 OH2 TIP3 985 31.158 94.010 26.571 1.00 0.00 WT4 O ATOM 48203 H1 TIP3 985 30.440 93.604 27.056 1.00 0.00 WT4 H ATOM 48204 H2 TIP3 985 31.951 93.690 27.002 1.00 0.00 WT4 H ATOM 48205 OH2 TIP3 987 27.334 62.792 54.239 1.00 0.00 WT4 O ATOM 48206 H1 TIP3 987 27.725 62.149 54.829 1.00 0.00 WT4 H ATOM 48207 H2 TIP3 987 28.059 63.369 53.998 1.00 0.00 WT4 H ATOM 48208 OH2 TIP3 988 53.851 84.537 3.259 1.00 0.00 WT4 O ATOM 48209 H1 TIP3 988 53.548 85.139 3.939 1.00 0.00 WT4 H ATOM 48210 H2 TIP3 988 53.123 83.928 3.135 1.00 0.00 WT4 H ATOM 48211 OH2 TIP3 992 85.660 67.650 22.894 1.00 0.00 WT4 O ATOM 48212 H1 TIP3 992 85.713 67.648 23.850 1.00 0.00 WT4 H ATOM 48213 H2 TIP3 992 85.077 66.920 22.684 1.00 0.00 WT4 H ATOM 48214 OH2 TIP3 993 84.835 53.207 -19.242 1.00 0.00 WT4 O ATOM 48215 H1 TIP3 993 84.739 52.256 -19.287 1.00 0.00 WT4 H ATOM 48216 H2 TIP3 993 83.995 53.517 -18.904 1.00 0.00 WT4 H ATOM 48217 OH2 TIP3 995 87.775 63.947 -2.134 1.00 0.00 WT4 O ATOM 48218 H1 TIP3 995 88.584 63.469 -2.315 1.00 0.00 WT4 H ATOM 48219 H2 TIP3 995 87.187 63.291 -1.760 1.00 0.00 WT4 H ATOM 48220 OH2 TIP3 1007 40.604 90.023 21.975 1.00 0.00 WT4 O ATOM 48221 H1 TIP3 1007 39.774 89.769 21.571 1.00 0.00 WT4 H ATOM 48222 H2 TIP3 1007 40.359 90.660 22.646 1.00 0.00 WT4 H ATOM 48223 OH2 TIP3 1010 89.709 7.694 3.823 1.00 0.00 WT4 O ATOM 48224 H1 TIP3 1010 89.932 7.725 2.893 1.00 0.00 WT4 H ATOM 48225 H2 TIP3 1010 89.576 8.610 4.068 1.00 0.00 WT4 H ATOM 48226 OH2 TIP3 1011 65.115 21.343 39.717 1.00 0.00 WT4 O ATOM 48227 H1 TIP3 1011 65.302 20.477 39.355 1.00 0.00 WT4 H ATOM 48228 H2 TIP3 1011 64.367 21.204 40.298 1.00 0.00 WT4 H ATOM 48229 OH2 TIP3 1013 52.168 7.198 -16.029 1.00 0.00 WT4 O ATOM 48230 H1 TIP3 1013 51.669 7.698 -15.383 1.00 0.00 WT4 H ATOM 48231 H2 TIP3 1013 52.058 6.285 -15.762 1.00 0.00 WT4 H ATOM 48232 OH2 TIP3 1014 39.688 51.526 0.463 1.00 0.00 WT4 O ATOM 48233 H1 TIP3 1014 39.875 52.464 0.417 1.00 0.00 WT4 H ATOM 48234 H2 TIP3 1014 39.668 51.331 1.400 1.00 0.00 WT4 H ATOM 48235 OH2 TIP3 1017 86.043 32.042 45.670 1.00 0.00 WT4 O ATOM 48236 H1 TIP3 1017 86.477 31.910 46.512 1.00 0.00 WT4 H ATOM 48237 H2 TIP3 1017 85.581 32.875 45.765 1.00 0.00 WT4 H ATOM 48238 OH2 TIP3 1018 28.824 81.054 3.547 1.00 0.00 WT4 O ATOM 48239 H1 TIP3 1018 29.693 81.330 3.840 1.00 0.00 WT4 H ATOM 48240 H2 TIP3 1018 28.887 80.102 3.473 1.00 0.00 WT4 H ATOM 48241 OH2 TIP3 1027 72.155 68.683 25.427 1.00 0.00 WT4 O ATOM 48242 H1 TIP3 1027 72.178 68.939 26.349 1.00 0.00 WT4 H ATOM 48243 H2 TIP3 1027 71.489 67.997 25.386 1.00 0.00 WT4 H ATOM 48244 OH2 TIP3 1032 31.165 51.126 -13.410 1.00 0.00 WT4 O ATOM 48245 H1 TIP3 1032 31.403 50.994 -14.328 1.00 0.00 WT4 H ATOM 48246 H2 TIP3 1032 31.554 51.969 -13.180 1.00 0.00 WT4 H ATOM 48247 OH2 TIP3 1033 57.981 91.289 60.637 1.00 0.00 WT4 O ATOM 48248 H1 TIP3 1033 58.341 90.797 61.376 1.00 0.00 WT4 H ATOM 48249 H2 TIP3 1033 58.712 91.370 60.024 1.00 0.00 WT4 H ATOM 48250 OH2 TIP3 1040 55.492 96.365 49.963 1.00 0.00 WT4 O ATOM 48251 H1 TIP3 1040 55.644 95.450 49.727 1.00 0.00 WT4 H ATOM 48252 H2 TIP3 1040 54.947 96.324 50.748 1.00 0.00 WT4 H ATOM 48253 OH2 TIP3 1051 87.296 4.864 41.888 1.00 0.00 WT4 O ATOM 48254 H1 TIP3 1051 87.576 4.511 42.732 1.00 0.00 WT4 H ATOM 48255 H2 TIP3 1051 88.005 4.639 41.286 1.00 0.00 WT4 H ATOM 48256 OH2 TIP3 1053 26.814 76.633 60.561 1.00 0.00 WT4 O ATOM 48257 H1 TIP3 1053 25.873 76.488 60.458 1.00 0.00 WT4 H ATOM 48258 H2 TIP3 1053 26.964 76.569 61.504 1.00 0.00 WT4 H ATOM 48259 OH2 TIP3 1054 66.099 26.077 -16.984 1.00 0.00 WT4 O ATOM 48260 H1 TIP3 1054 66.036 26.819 -17.585 1.00 0.00 WT4 H ATOM 48261 H2 TIP3 1054 66.770 26.337 -16.353 1.00 0.00 WT4 H ATOM 48262 OH2 TIP3 1055 60.164 74.975 17.610 1.00 0.00 WT4 O ATOM 48263 H1 TIP3 1055 59.758 74.159 17.316 1.00 0.00 WT4 H ATOM 48264 H2 TIP3 1055 60.767 74.707 18.304 1.00 0.00 WT4 H ATOM 48265 OH2 TIP3 1058 59.795 85.741 62.468 1.00 0.00 WT4 O ATOM 48266 H1 TIP3 1058 59.593 84.998 61.900 1.00 0.00 WT4 H ATOM 48267 H2 TIP3 1058 58.966 85.944 62.902 1.00 0.00 WT4 H ATOM 48268 OH2 TIP3 1059 69.754 41.172 40.126 1.00 0.00 WT4 O ATOM 48269 H1 TIP3 1059 68.908 41.529 40.397 1.00 0.00 WT4 H ATOM 48270 H2 TIP3 1059 69.687 41.093 39.174 1.00 0.00 WT4 H ATOM 48271 OH2 TIP3 1076 85.255 91.994 18.590 1.00 0.00 WT4 O ATOM 48272 H1 TIP3 1076 85.252 91.465 19.388 1.00 0.00 WT4 H ATOM 48273 H2 TIP3 1076 85.003 91.384 17.897 1.00 0.00 WT4 H ATOM 48274 OH2 TIP3 1094 88.892 9.307 44.584 1.00 0.00 WT4 O ATOM 48275 H1 TIP3 1094 88.676 8.446 44.226 1.00 0.00 WT4 H ATOM 48276 H2 TIP3 1094 88.049 9.671 44.856 1.00 0.00 WT4 H ATOM 48277 OH2 TIP3 1096 75.033 36.871 11.452 1.00 0.00 WT4 O ATOM 48278 H1 TIP3 1096 74.764 37.649 11.940 1.00 0.00 WT4 H ATOM 48279 H2 TIP3 1096 74.301 36.262 11.549 1.00 0.00 WT4 H ATOM 48280 OH2 TIP3 1098 79.189 92.361 -4.484 1.00 0.00 WT4 O ATOM 48281 H1 TIP3 1098 78.886 92.479 -3.584 1.00 0.00 WT4 H ATOM 48282 H2 TIP3 1098 78.406 92.096 -4.968 1.00 0.00 WT4 H ATOM 48283 OH2 TIP3 1112 62.455 36.066 23.983 1.00 0.00 WT4 O ATOM 48284 H1 TIP3 1112 62.546 35.127 24.143 1.00 0.00 WT4 H ATOM 48285 H2 TIP3 1112 61.519 36.193 23.827 1.00 0.00 WT4 H ATOM 48286 OH2 TIP3 1115 44.866 72.475 35.272 1.00 0.00 WT4 O ATOM 48287 H1 TIP3 1115 45.141 71.562 35.184 1.00 0.00 WT4 H ATOM 48288 H2 TIP3 1115 45.509 72.969 34.762 1.00 0.00 WT4 H ATOM 48289 OH2 TIP3 1117 70.841 73.840 42.322 1.00 0.00 WT4 O ATOM 48290 H1 TIP3 1117 70.007 73.858 41.854 1.00 0.00 WT4 H ATOM 48291 H2 TIP3 1117 71.392 73.248 41.810 1.00 0.00 WT4 H ATOM 48292 OH2 TIP3 1119 49.991 94.986 -3.179 1.00 0.00 WT4 O ATOM 48293 H1 TIP3 1119 50.069 95.604 -2.453 1.00 0.00 WT4 H ATOM 48294 H2 TIP3 1119 49.395 94.310 -2.857 1.00 0.00 WT4 H ATOM 48295 OH2 TIP3 1122 30.227 62.287 46.931 1.00 0.00 WT4 O ATOM 48296 H1 TIP3 1122 31.001 61.846 46.582 1.00 0.00 WT4 H ATOM 48297 H2 TIP3 1122 30.116 63.055 46.372 1.00 0.00 WT4 H ATOM 48298 OH2 TIP3 1137 37.244 92.812 49.786 1.00 0.00 WT4 O ATOM 48299 H1 TIP3 1137 36.471 93.017 50.313 1.00 0.00 WT4 H ATOM 48300 H2 TIP3 1137 37.980 93.136 50.305 1.00 0.00 WT4 H ATOM 48301 OH2 TIP3 1201 36.950 77.117 43.431 1.00 0.00 WT4 O ATOM 48302 H1 TIP3 1201 37.538 76.380 43.595 1.00 0.00 WT4 H ATOM 48303 H2 TIP3 1201 36.170 76.721 43.043 1.00 0.00 WT4 H ATOM 48304 OH2 TIP3 1301 29.737 20.620 53.107 1.00 0.00 WT4 O ATOM 48305 H1 TIP3 1301 29.900 20.687 54.047 1.00 0.00 WT4 H ATOM 48306 H2 TIP3 1301 30.607 20.649 52.710 1.00 0.00 WT4 H ATOM 48307 OH2 TIP3 1305 88.855 61.983 39.619 1.00 0.00 WT4 O ATOM 48308 H1 TIP3 1305 89.732 62.318 39.433 1.00 0.00 WT4 H ATOM 48309 H2 TIP3 1305 88.591 61.541 38.812 1.00 0.00 WT4 H ATOM 48310 OH2 TIP3 1307 50.798 87.984 -0.665 1.00 0.00 WT4 O ATOM 48311 H1 TIP3 1307 50.861 87.054 -0.444 1.00 0.00 WT4 H ATOM 48312 H2 TIP3 1307 51.625 88.182 -1.104 1.00 0.00 WT4 H ATOM 48313 OH2 TIP3 1308 30.680 79.648 27.696 1.00 0.00 WT4 O ATOM 48314 H1 TIP3 1308 29.778 79.942 27.827 1.00 0.00 WT4 H ATOM 48315 H2 TIP3 1308 30.692 79.302 26.804 1.00 0.00 WT4 H ATOM 48316 OH2 TIP3 1322 81.226 75.108 50.988 1.00 0.00 WT4 O ATOM 48317 H1 TIP3 1322 81.589 75.991 51.063 1.00 0.00 WT4 H ATOM 48318 H2 TIP3 1322 80.381 75.232 50.554 1.00 0.00 WT4 H ATOM 48319 OH2 TIP3 1327 41.437 48.418 41.564 1.00 0.00 WT4 O ATOM 48320 H1 TIP3 1327 41.362 49.278 41.152 1.00 0.00 WT4 H ATOM 48321 H2 TIP3 1327 40.551 48.219 41.868 1.00 0.00 WT4 H ATOM 48322 OH2 TIP3 1328 20.960 37.912 39.459 1.00 0.00 WT4 O ATOM 48323 H1 TIP3 1328 20.491 38.688 39.767 1.00 0.00 WT4 H ATOM 48324 H2 TIP3 1328 21.657 37.783 40.102 1.00 0.00 WT4 H ATOM 48325 OH2 TIP3 1329 42.114 71.823 55.882 1.00 0.00 WT4 O ATOM 48326 H1 TIP3 1329 42.769 71.727 55.190 1.00 0.00 WT4 H ATOM 48327 H2 TIP3 1329 41.485 72.453 55.531 1.00 0.00 WT4 H ATOM 48328 OH2 TIP3 1330 37.101 67.169 15.710 1.00 0.00 WT4 O ATOM 48329 H1 TIP3 1330 37.556 67.153 16.552 1.00 0.00 WT4 H ATOM 48330 H2 TIP3 1330 37.769 67.442 15.082 1.00 0.00 WT4 H ATOM 48331 OH2 TIP3 1331 31.297 71.166 40.059 1.00 0.00 WT4 O ATOM 48332 H1 TIP3 1331 31.998 70.909 40.659 1.00 0.00 WT4 H ATOM 48333 H2 TIP3 1331 31.697 71.122 39.191 1.00 0.00 WT4 H ATOM 48334 OH2 TIP3 1333 43.734 3.492 0.266 1.00 0.00 WT4 O ATOM 48335 H1 TIP3 1333 43.351 3.912 -0.504 1.00 0.00 WT4 H ATOM 48336 H2 TIP3 1333 43.599 4.121 0.975 1.00 0.00 WT4 H ATOM 48337 OH2 TIP3 1344 84.540 53.698 6.751 1.00 0.00 WT4 O ATOM 48338 H1 TIP3 1344 84.055 53.289 7.467 1.00 0.00 WT4 H ATOM 48339 H2 TIP3 1344 85.014 54.420 7.164 1.00 0.00 WT4 H ATOM 48340 OH2 TIP3 1349 24.720 65.238 45.168 1.00 0.00 WT4 O ATOM 48341 H1 TIP3 1349 25.279 66.015 45.168 1.00 0.00 WT4 H ATOM 48342 H2 TIP3 1349 24.658 64.986 46.089 1.00 0.00 WT4 H ATOM 48343 OH2 TIP3 1350 33.186 62.062 56.531 1.00 0.00 WT4 O ATOM 48344 H1 TIP3 1350 32.846 61.300 56.061 1.00 0.00 WT4 H ATOM 48345 H2 TIP3 1350 33.921 62.364 55.997 1.00 0.00 WT4 H ATOM 48346 OH2 TIP3 1351 52.897 56.113 50.644 1.00 0.00 WT4 O ATOM 48347 H1 TIP3 1351 52.187 56.397 51.220 1.00 0.00 WT4 H ATOM 48348 H2 TIP3 1351 52.484 56.010 49.787 1.00 0.00 WT4 H ATOM 48349 OH2 TIP3 1352 85.000 55.332 58.271 1.00 0.00 WT4 O ATOM 48350 H1 TIP3 1352 84.290 55.886 57.946 1.00 0.00 WT4 H ATOM 48351 H2 TIP3 1352 84.592 54.479 58.417 1.00 0.00 WT4 H ATOM 48352 OH2 TIP3 1354 22.897 45.979 58.391 1.00 0.00 WT4 O ATOM 48353 H1 TIP3 1354 22.080 46.176 58.850 1.00 0.00 WT4 H ATOM 48354 H2 TIP3 1354 22.893 45.027 58.293 1.00 0.00 WT4 H ATOM 48355 OH2 TIP3 1367 21.461 15.833 64.631 1.00 0.00 WT4 O ATOM 48356 H1 TIP3 1367 20.796 16.455 64.335 1.00 0.00 WT4 H ATOM 48357 H2 TIP3 1367 21.298 15.736 65.569 1.00 0.00 WT4 H ATOM 48358 OH2 TIP3 1368 39.819 4.769 -14.974 1.00 0.00 WT4 O ATOM 48359 H1 TIP3 1368 40.112 5.600 -15.349 1.00 0.00 WT4 H ATOM 48360 H2 TIP3 1368 39.538 4.991 -14.087 1.00 0.00 WT4 H ATOM 48361 OH2 TIP3 1370 36.765 74.042 23.417 1.00 0.00 WT4 O ATOM 48362 H1 TIP3 1370 37.662 73.776 23.216 1.00 0.00 WT4 H ATOM 48363 H2 TIP3 1370 36.350 73.249 23.756 1.00 0.00 WT4 H ATOM 48364 OH2 TIP3 1371 85.070 59.834 -5.840 1.00 0.00 WT4 O ATOM 48365 H1 TIP3 1371 84.582 59.053 -5.582 1.00 0.00 WT4 H ATOM 48366 H2 TIP3 1371 85.977 59.538 -5.910 1.00 0.00 WT4 H ATOM 48367 OH2 TIP3 1374 28.847 69.390 45.233 1.00 0.00 WT4 O ATOM 48368 H1 TIP3 1374 29.201 68.559 44.916 1.00 0.00 WT4 H ATOM 48369 H2 TIP3 1374 29.619 69.909 45.460 1.00 0.00 WT4 H ATOM 48370 OH2 TIP3 1375 78.784 68.130 59.422 1.00 0.00 WT4 O ATOM 48371 H1 TIP3 1375 79.211 67.795 58.635 1.00 0.00 WT4 H ATOM 48372 H2 TIP3 1375 79.413 67.968 60.125 1.00 0.00 WT4 H ATOM 48373 OH2 TIP3 1386 21.374 67.035 36.576 1.00 0.00 WT4 O ATOM 48374 H1 TIP3 1386 20.610 66.856 36.028 1.00 0.00 WT4 H ATOM 48375 H2 TIP3 1386 21.697 67.881 36.267 1.00 0.00 WT4 H ATOM 48376 OH2 TIP3 1387 50.954 72.194 7.309 1.00 0.00 WT4 O ATOM 48377 H1 TIP3 1387 51.045 73.143 7.395 1.00 0.00 WT4 H ATOM 48378 H2 TIP3 1387 51.026 71.864 8.205 1.00 0.00 WT4 H ATOM 48379 OH2 TIP3 1388 50.964 15.968 -19.046 1.00 0.00 WT4 O ATOM 48380 H1 TIP3 1388 50.403 16.684 -18.748 1.00 0.00 WT4 H ATOM 48381 H2 TIP3 1388 51.204 16.207 -19.941 1.00 0.00 WT4 H ATOM 48382 OH2 TIP3 1389 44.747 7.861 45.213 1.00 0.00 WT4 O ATOM 48383 H1 TIP3 1389 44.011 7.681 44.628 1.00 0.00 WT4 H ATOM 48384 H2 TIP3 1389 44.344 8.237 45.996 1.00 0.00 WT4 H ATOM 48385 OH2 TIP3 1392 47.545 72.538 2.649 1.00 0.00 WT4 O ATOM 48386 H1 TIP3 1392 47.319 71.628 2.459 1.00 0.00 WT4 H ATOM 48387 H2 TIP3 1392 48.502 72.552 2.648 1.00 0.00 WT4 H ATOM 48388 OH2 TIP3 1393 22.972 4.791 -11.227 1.00 0.00 WT4 O ATOM 48389 H1 TIP3 1393 22.673 5.069 -10.361 1.00 0.00 WT4 H ATOM 48390 H2 TIP3 1393 22.300 4.180 -11.528 1.00 0.00 WT4 H ATOM 48391 OH2 TIP3 1407 43.357 82.211 65.308 1.00 0.00 WT4 O ATOM 48392 H1 TIP3 1407 43.584 82.769 64.563 1.00 0.00 WT4 H ATOM 48393 H2 TIP3 1407 42.437 81.986 65.168 1.00 0.00 WT4 H ATOM 48394 OH2 TIP3 1408 83.846 58.076 45.846 1.00 0.00 WT4 O ATOM 48395 H1 TIP3 1408 83.062 57.913 46.369 1.00 0.00 WT4 H ATOM 48396 H2 TIP3 1408 84.563 58.076 46.481 1.00 0.00 WT4 H ATOM 48397 OH2 TIP3 1411 45.140 29.769 -10.136 1.00 0.00 WT4 O ATOM 48398 H1 TIP3 1411 45.322 30.344 -9.393 1.00 0.00 WT4 H ATOM 48399 H2 TIP3 1411 44.186 29.692 -10.154 1.00 0.00 WT4 H ATOM 48400 OH2 TIP3 1412 59.371 58.205 33.860 1.00 0.00 WT4 O ATOM 48401 H1 TIP3 1412 59.517 58.498 32.961 1.00 0.00 WT4 H ATOM 48402 H2 TIP3 1412 58.493 57.825 33.849 1.00 0.00 WT4 H ATOM 48403 OH2 TIP3 1413 87.259 54.911 61.684 1.00 0.00 WT4 O ATOM 48404 H1 TIP3 1413 87.226 53.957 61.760 1.00 0.00 WT4 H ATOM 48405 H2 TIP3 1413 86.439 55.145 61.248 1.00 0.00 WT4 H ATOM 48406 OH2 TIP3 1414 78.388 30.454 -1.224 1.00 0.00 WT4 O ATOM 48407 H1 TIP3 1414 77.830 30.201 -0.488 1.00 0.00 WT4 H ATOM 48408 H2 TIP3 1414 78.697 29.624 -1.587 1.00 0.00 WT4 H ATOM 48409 OH2 TIP3 1415 84.027 66.523 -5.105 1.00 0.00 WT4 O ATOM 48410 H1 TIP3 1415 84.702 66.881 -5.681 1.00 0.00 WT4 H ATOM 48411 H2 TIP3 1415 83.567 67.292 -4.768 1.00 0.00 WT4 H ATOM 48412 OH2 TIP3 1418 80.192 88.313 5.807 1.00 0.00 WT4 O ATOM 48413 H1 TIP3 1418 81.125 88.121 5.712 1.00 0.00 WT4 H ATOM 48414 H2 TIP3 1418 79.805 88.039 4.975 1.00 0.00 WT4 H ATOM 48415 OH2 TIP3 1425 88.583 0.321 6.610 1.00 0.00 WT4 O ATOM 48416 H1 TIP3 1425 89.144 1.015 6.263 1.00 0.00 WT4 H ATOM 48417 H2 TIP3 1425 87.699 0.686 6.572 1.00 0.00 WT4 H ATOM 48418 OH2 TIP3 1427 39.730 44.239 -9.362 1.00 0.00 WT4 O ATOM 48419 H1 TIP3 1427 39.308 44.419 -10.202 1.00 0.00 WT4 H ATOM 48420 H2 TIP3 1427 39.933 43.304 -9.390 1.00 0.00 WT4 H ATOM 48421 OH2 TIP3 1428 87.654 48.554 7.009 1.00 0.00 WT4 O ATOM 48422 H1 TIP3 1428 88.447 48.271 7.464 1.00 0.00 WT4 H ATOM 48423 H2 TIP3 1428 86.971 48.526 7.678 1.00 0.00 WT4 H ATOM 48424 OH2 TIP3 1429 73.106 26.109 61.215 1.00 0.00 WT4 O ATOM 48425 H1 TIP3 1429 73.839 25.714 60.743 1.00 0.00 WT4 H ATOM 48426 H2 TIP3 1429 72.389 25.483 61.112 1.00 0.00 WT4 H ATOM 48427 OH2 TIP3 1430 58.766 90.430 -10.485 1.00 0.00 WT4 O ATOM 48428 H1 TIP3 1430 58.217 90.728 -9.760 1.00 0.00 WT4 H ATOM 48429 H2 TIP3 1430 58.333 89.638 -10.804 1.00 0.00 WT4 H ATOM 48430 OH2 TIP3 1431 69.613 78.725 62.932 1.00 0.00 WT4 O ATOM 48431 H1 TIP3 1431 69.141 78.257 63.620 1.00 0.00 WT4 H ATOM 48432 H2 TIP3 1431 70.063 78.038 62.440 1.00 0.00 WT4 H ATOM 48433 OH2 TIP3 1433 24.082 86.409 1.274 1.00 0.00 WT4 O ATOM 48434 H1 TIP3 1433 24.460 86.654 2.119 1.00 0.00 WT4 H ATOM 48435 H2 TIP3 1433 23.287 86.938 1.204 1.00 0.00 WT4 H ATOM 48436 OH2 TIP3 1435 74.525 85.447 -4.626 1.00 0.00 WT4 O ATOM 48437 H1 TIP3 1435 73.871 85.867 -4.067 1.00 0.00 WT4 H ATOM 48438 H2 TIP3 1435 74.122 84.617 -4.883 1.00 0.00 WT4 H ATOM 48439 OH2 TIP3 1450 57.892 82.929 -8.503 1.00 0.00 WT4 O ATOM 48440 H1 TIP3 1450 57.694 82.863 -9.437 1.00 0.00 WT4 H ATOM 48441 H2 TIP3 1450 58.722 82.464 -8.400 1.00 0.00 WT4 H ATOM 48442 OH2 TIP3 1451 48.052 89.884 54.763 1.00 0.00 WT4 O ATOM 48443 H1 TIP3 1451 48.661 89.174 54.966 1.00 0.00 WT4 H ATOM 48444 H2 TIP3 1451 47.206 89.449 54.652 1.00 0.00 WT4 H ATOM 48445 OH2 TIP3 1452 36.723 18.413 29.205 1.00 0.00 WT4 O ATOM 48446 H1 TIP3 1452 36.153 19.180 29.263 1.00 0.00 WT4 H ATOM 48447 H2 TIP3 1452 37.523 18.739 28.793 1.00 0.00 WT4 H ATOM 48448 OH2 TIP3 1453 31.987 77.391 63.687 1.00 0.00 WT4 O ATOM 48449 H1 TIP3 1453 31.129 77.502 64.097 1.00 0.00 WT4 H ATOM 48450 H2 TIP3 1453 32.058 78.124 63.075 1.00 0.00 WT4 H ATOM 48451 OH2 TIP3 1454 83.424 33.472 58.733 1.00 0.00 WT4 O ATOM 48452 H1 TIP3 1454 83.086 32.996 59.492 1.00 0.00 WT4 H ATOM 48453 H2 TIP3 1454 84.268 33.058 58.547 1.00 0.00 WT4 H ATOM 48454 OH2 TIP3 1457 32.229 74.532 -4.710 1.00 0.00 WT4 O ATOM 48455 H1 TIP3 1457 32.455 74.844 -5.586 1.00 0.00 WT4 H ATOM 48456 H2 TIP3 1457 32.019 73.606 -4.832 1.00 0.00 WT4 H ATOM 48457 OH2 TIP3 1458 30.439 86.669 19.693 1.00 0.00 WT4 O ATOM 48458 H1 TIP3 1458 30.285 85.884 19.166 1.00 0.00 WT4 H ATOM 48459 H2 TIP3 1458 30.812 86.339 20.510 1.00 0.00 WT4 H ATOM 48460 OH2 TIP3 1474 37.509 58.107 53.378 1.00 0.00 WT4 O ATOM 48461 H1 TIP3 1474 36.799 58.748 53.354 1.00 0.00 WT4 H ATOM 48462 H2 TIP3 1474 38.306 58.634 53.434 1.00 0.00 WT4 H ATOM 48463 OH2 TIP3 1478 57.377 5.638 41.452 1.00 0.00 WT4 O ATOM 48464 H1 TIP3 1478 56.611 5.878 40.930 1.00 0.00 WT4 H ATOM 48465 H2 TIP3 1478 57.222 6.043 42.305 1.00 0.00 WT4 H ATOM 48466 OH2 TIP3 1480 46.789 33.471 -3.904 1.00 0.00 WT4 O ATOM 48467 H1 TIP3 1480 47.697 33.765 -3.826 1.00 0.00 WT4 H ATOM 48468 H2 TIP3 1480 46.275 34.279 -3.914 1.00 0.00 WT4 H ATOM 48469 OH2 TIP3 1493 78.379 79.357 60.343 1.00 0.00 WT4 O ATOM 48470 H1 TIP3 1493 77.654 79.576 59.757 1.00 0.00 WT4 H ATOM 48471 H2 TIP3 1493 78.531 78.423 60.197 1.00 0.00 WT4 H ATOM 48472 OH2 TIP3 1494 72.637 39.597 -11.783 1.00 0.00 WT4 O ATOM 48473 H1 TIP3 1494 73.285 40.220 -12.110 1.00 0.00 WT4 H ATOM 48474 H2 TIP3 1494 72.699 39.665 -10.830 1.00 0.00 WT4 H ATOM 48475 OH2 TIP3 1496 38.146 59.997 0.836 1.00 0.00 WT4 O ATOM 48476 H1 TIP3 1496 37.227 60.039 1.103 1.00 0.00 WT4 H ATOM 48477 H2 TIP3 1496 38.356 60.889 0.560 1.00 0.00 WT4 H ATOM 48478 OH2 TIP3 1497 85.921 28.809 28.460 1.00 0.00 WT4 O ATOM 48479 H1 TIP3 1497 86.798 28.431 28.526 1.00 0.00 WT4 H ATOM 48480 H2 TIP3 1497 85.957 29.594 29.006 1.00 0.00 WT4 H ATOM 48481 OH2 TIP3 1499 51.247 54.041 45.637 1.00 0.00 WT4 O ATOM 48482 H1 TIP3 1499 51.940 53.834 45.009 1.00 0.00 WT4 H ATOM 48483 H2 TIP3 1499 50.442 54.024 45.119 1.00 0.00 WT4 H ATOM 48484 OH2 TIP3 1512 24.210 76.211 34.693 1.00 0.00 WT4 O ATOM 48485 H1 TIP3 1512 25.105 76.091 34.375 1.00 0.00 WT4 H ATOM 48486 H2 TIP3 1512 24.040 75.436 35.229 1.00 0.00 WT4 H ATOM 48487 OH2 TIP3 1515 75.834 82.323 29.598 1.00 0.00 WT4 O ATOM 48488 H1 TIP3 1515 76.501 81.645 29.496 1.00 0.00 WT4 H ATOM 48489 H2 TIP3 1515 75.003 81.859 29.499 1.00 0.00 WT4 H ATOM 48490 OH2 TIP3 1519 76.487 72.839 56.006 1.00 0.00 WT4 O ATOM 48491 H1 TIP3 1519 77.280 72.312 55.911 1.00 0.00 WT4 H ATOM 48492 H2 TIP3 1519 75.769 72.214 55.901 1.00 0.00 WT4 H ATOM 48493 OH2 TIP3 1532 70.861 79.067 50.543 1.00 0.00 WT4 O ATOM 48494 H1 TIP3 1532 69.931 79.288 50.580 1.00 0.00 WT4 H ATOM 48495 H2 TIP3 1532 71.242 79.724 49.961 1.00 0.00 WT4 H ATOM 48496 OH2 TIP3 1551 52.204 88.540 50.671 1.00 0.00 WT4 O ATOM 48497 H1 TIP3 1551 52.361 87.596 50.652 1.00 0.00 WT4 H ATOM 48498 H2 TIP3 1551 52.738 88.886 49.957 1.00 0.00 WT4 H ATOM 48499 OH2 TIP3 1558 28.181 64.259 -0.413 1.00 0.00 WT4 O ATOM 48500 H1 TIP3 1558 28.745 63.916 0.280 1.00 0.00 WT4 H ATOM 48501 H2 TIP3 1558 28.766 64.372 -1.163 1.00 0.00 WT4 H ATOM 48502 OH2 TIP3 1559 71.385 30.743 43.432 1.00 0.00 WT4 O ATOM 48503 H1 TIP3 1559 70.956 30.230 42.748 1.00 0.00 WT4 H ATOM 48504 H2 TIP3 1559 72.296 30.448 43.418 1.00 0.00 WT4 H ATOM 48505 OH2 TIP3 1618 63.874 5.052 6.050 1.00 0.00 WT4 O ATOM 48506 H1 TIP3 1618 64.140 5.540 5.271 1.00 0.00 WT4 H ATOM 48507 H2 TIP3 1618 63.371 4.311 5.710 1.00 0.00 WT4 H ATOM 48508 OH2 TIP3 1621 30.465 43.878 -11.790 1.00 0.00 WT4 O ATOM 48509 H1 TIP3 1621 29.803 43.834 -11.101 1.00 0.00 WT4 H ATOM 48510 H2 TIP3 1621 31.015 44.623 -11.548 1.00 0.00 WT4 H ATOM 48511 OH2 TIP3 1707 48.169 49.849 50.260 1.00 0.00 WT4 O ATOM 48512 H1 TIP3 1707 48.398 50.766 50.111 1.00 0.00 WT4 H ATOM 48513 H2 TIP3 1707 47.216 49.822 50.172 1.00 0.00 WT4 H ATOM 48514 OH2 TIP3 1712 60.300 36.358 34.533 1.00 0.00 WT4 O ATOM 48515 H1 TIP3 1712 59.832 35.560 34.779 1.00 0.00 WT4 H ATOM 48516 H2 TIP3 1712 60.518 36.234 33.609 1.00 0.00 WT4 H ATOM 48517 OH2 TIP3 1723 45.912 61.279 2.385 1.00 0.00 WT4 O ATOM 48518 H1 TIP3 1723 46.761 61.091 2.784 1.00 0.00 WT4 H ATOM 48519 H2 TIP3 1723 45.650 62.119 2.764 1.00 0.00 WT4 H ATOM 48520 OH2 TIP3 1725 56.465 51.953 36.149 1.00 0.00 WT4 O ATOM 48521 H1 TIP3 1725 55.980 52.771 36.265 1.00 0.00 WT4 H ATOM 48522 H2 TIP3 1725 55.898 51.414 35.598 1.00 0.00 WT4 H ATOM 48523 OH2 TIP3 1730 71.981 59.224 49.665 1.00 0.00 WT4 O ATOM 48524 H1 TIP3 1730 72.514 59.934 50.023 1.00 0.00 WT4 H ATOM 48525 H2 TIP3 1730 71.791 59.495 48.767 1.00 0.00 WT4 H ATOM 48526 OH2 TIP3 1733 60.237 1.678 43.173 1.00 0.00 WT4 O ATOM 48527 H1 TIP3 1733 60.404 1.031 42.487 1.00 0.00 WT4 H ATOM 48528 H2 TIP3 1733 60.400 1.207 43.991 1.00 0.00 WT4 H ATOM 48529 OH2 TIP3 1746 39.992 80.979 49.499 1.00 0.00 WT4 O ATOM 48530 H1 TIP3 1746 39.146 81.185 49.103 1.00 0.00 WT4 H ATOM 48531 H2 TIP3 1746 40.270 80.172 49.065 1.00 0.00 WT4 H ATOM 48532 OH2 TIP3 1748 75.360 40.830 -16.490 1.00 0.00 WT4 O ATOM 48533 H1 TIP3 1748 75.506 41.755 -16.294 1.00 0.00 WT4 H ATOM 48534 H2 TIP3 1748 76.233 40.439 -16.469 1.00 0.00 WT4 H ATOM 48535 OH2 TIP3 1750 43.061 82.081 -2.715 1.00 0.00 WT4 O ATOM 48536 H1 TIP3 1750 43.819 81.982 -3.292 1.00 0.00 WT4 H ATOM 48537 H2 TIP3 1750 43.437 82.290 -1.859 1.00 0.00 WT4 H ATOM 48538 OH2 TIP3 1764 53.442 94.822 -10.246 1.00 0.00 WT4 O ATOM 48539 H1 TIP3 1764 52.684 94.261 -10.080 1.00 0.00 WT4 H ATOM 48540 H2 TIP3 1764 53.452 94.936 -11.196 1.00 0.00 WT4 H ATOM 48541 OH2 TIP3 1766 60.742 80.558 33.695 1.00 0.00 WT4 O ATOM 48542 H1 TIP3 1766 59.941 80.917 33.314 1.00 0.00 WT4 H ATOM 48543 H2 TIP3 1766 60.440 80.014 34.422 1.00 0.00 WT4 H ATOM 48544 OH2 TIP3 1768 42.645 22.037 66.728 1.00 0.00 WT4 O ATOM 48545 H1 TIP3 1768 41.846 21.535 66.569 1.00 0.00 WT4 H ATOM 48546 H2 TIP3 1768 43.350 21.474 66.409 1.00 0.00 WT4 H ATOM 48547 OH2 TIP3 1771 75.556 26.831 -11.459 1.00 0.00 WT4 O ATOM 48548 H1 TIP3 1771 74.849 27.461 -11.316 1.00 0.00 WT4 H ATOM 48549 H2 TIP3 1771 75.340 26.094 -10.889 1.00 0.00 WT4 H ATOM 48550 OH2 TIP3 1773 43.770 50.474 -4.939 1.00 0.00 WT4 O ATOM 48551 H1 TIP3 1773 43.989 49.856 -4.241 1.00 0.00 WT4 H ATOM 48552 H2 TIP3 1773 44.570 50.984 -5.066 1.00 0.00 WT4 H ATOM 48553 OH2 TIP3 1788 50.904 19.746 -15.170 1.00 0.00 WT4 O ATOM 48554 H1 TIP3 1788 51.740 19.709 -14.705 1.00 0.00 WT4 H ATOM 48555 H2 TIP3 1788 50.464 20.516 -14.810 1.00 0.00 WT4 H ATOM 48556 OH2 TIP3 1789 73.622 62.961 2.439 1.00 0.00 WT4 O ATOM 48557 H1 TIP3 1789 74.349 62.339 2.461 1.00 0.00 WT4 H ATOM 48558 H2 TIP3 1789 73.887 63.661 3.036 1.00 0.00 WT4 H ATOM 48559 OH2 TIP3 1790 73.955 35.868 -16.852 1.00 0.00 WT4 O ATOM 48560 H1 TIP3 1790 74.652 36.522 -16.798 1.00 0.00 WT4 H ATOM 48561 H2 TIP3 1790 74.281 35.221 -17.478 1.00 0.00 WT4 H ATOM 48562 OH2 TIP3 1795 34.059 46.252 35.171 1.00 0.00 WT4 O ATOM 48563 H1 TIP3 1795 33.757 45.495 34.668 1.00 0.00 WT4 H ATOM 48564 H2 TIP3 1795 34.388 46.863 34.512 1.00 0.00 WT4 H ATOM 48565 OH2 TIP3 1796 23.545 91.717 43.946 1.00 0.00 WT4 O ATOM 48566 H1 TIP3 1796 22.720 91.545 43.490 1.00 0.00 WT4 H ATOM 48567 H2 TIP3 1796 24.018 92.315 43.368 1.00 0.00 WT4 H ATOM 48568 OH2 TIP3 1810 89.241 78.760 36.780 1.00 0.00 WT4 O ATOM 48569 H1 TIP3 1810 89.826 78.906 36.037 1.00 0.00 WT4 H ATOM 48570 H2 TIP3 1810 89.695 78.113 37.319 1.00 0.00 WT4 H ATOM 48571 OH2 TIP3 1811 68.519 32.972 54.844 1.00 0.00 WT4 O ATOM 48572 H1 TIP3 1811 69.031 33.170 54.060 1.00 0.00 WT4 H ATOM 48573 H2 TIP3 1811 67.989 33.757 54.989 1.00 0.00 WT4 H ATOM 48574 OH2 TIP3 1813 30.563 59.921 50.897 1.00 0.00 WT4 O ATOM 48575 H1 TIP3 1813 29.907 59.914 50.200 1.00 0.00 WT4 H ATOM 48576 H2 TIP3 1813 30.787 60.846 51.006 1.00 0.00 WT4 H ATOM 48577 OH2 TIP3 1814 44.482 21.134 32.006 1.00 0.00 WT4 O ATOM 48578 H1 TIP3 1814 45.406 21.345 31.873 1.00 0.00 WT4 H ATOM 48579 H2 TIP3 1814 44.072 21.299 31.157 1.00 0.00 WT4 H ATOM 48580 OH2 TIP3 1816 48.716 94.253 17.228 1.00 0.00 WT4 O ATOM 48581 H1 TIP3 1816 49.665 94.210 17.344 1.00 0.00 WT4 H ATOM 48582 H2 TIP3 1816 48.479 95.133 17.522 1.00 0.00 WT4 H ATOM 48583 OH2 TIP3 1829 20.452 84.964 21.150 1.00 0.00 WT4 O ATOM 48584 H1 TIP3 1829 20.745 85.616 20.512 1.00 0.00 WT4 H ATOM 48585 H2 TIP3 1829 21.256 84.530 21.435 1.00 0.00 WT4 H ATOM 48586 OH2 TIP3 1830 59.666 45.468 46.772 1.00 0.00 WT4 O ATOM 48587 H1 TIP3 1830 59.922 46.380 46.633 1.00 0.00 WT4 H ATOM 48588 H2 TIP3 1830 60.494 44.990 46.809 1.00 0.00 WT4 H ATOM 48589 OH2 TIP3 1831 44.876 67.288 63.191 1.00 0.00 WT4 O ATOM 48590 H1 TIP3 1831 45.481 67.219 62.452 1.00 0.00 WT4 H ATOM 48591 H2 TIP3 1831 44.223 67.928 62.907 1.00 0.00 WT4 H ATOM 48592 OH2 TIP3 1832 24.397 63.726 27.438 1.00 0.00 WT4 O ATOM 48593 H1 TIP3 1832 24.411 62.799 27.199 1.00 0.00 WT4 H ATOM 48594 H2 TIP3 1832 23.536 64.034 27.154 1.00 0.00 WT4 H ATOM 48595 OH2 TIP3 1835 56.873 62.911 50.444 1.00 0.00 WT4 O ATOM 48596 H1 TIP3 1835 56.543 62.078 50.107 1.00 0.00 WT4 H ATOM 48597 H2 TIP3 1835 56.172 63.538 50.264 1.00 0.00 WT4 H ATOM 48598 OH2 TIP3 1837 30.871 26.072 46.215 1.00 0.00 WT4 O ATOM 48599 H1 TIP3 1837 30.920 26.563 45.395 1.00 0.00 WT4 H ATOM 48600 H2 TIP3 1837 31.773 26.045 46.533 1.00 0.00 WT4 H ATOM 48601 OH2 TIP3 1847 24.884 95.051 -13.444 1.00 0.00 WT4 O ATOM 48602 H1 TIP3 1847 25.817 94.893 -13.588 1.00 0.00 WT4 H ATOM 48603 H2 TIP3 1847 24.650 94.467 -12.723 1.00 0.00 WT4 H ATOM 48604 OH2 TIP3 1850 89.978 3.412 45.804 1.00 0.00 WT4 O ATOM 48605 H1 TIP3 1850 90.230 4.212 45.344 1.00 0.00 WT4 H ATOM 48606 H2 TIP3 1850 89.810 2.776 45.108 1.00 0.00 WT4 H ATOM 48607 OH2 TIP3 1851 65.900 79.264 -13.690 1.00 0.00 WT4 O ATOM 48608 H1 TIP3 1851 65.403 78.742 -13.059 1.00 0.00 WT4 H ATOM 48609 H2 TIP3 1851 65.492 79.071 -14.534 1.00 0.00 WT4 H ATOM 48610 OH2 TIP3 1852 77.844 6.222 51.722 1.00 0.00 WT4 O ATOM 48611 H1 TIP3 1852 78.261 6.263 52.583 1.00 0.00 WT4 H ATOM 48612 H2 TIP3 1852 77.238 5.485 51.783 1.00 0.00 WT4 H ATOM 48613 OH2 TIP3 1853 38.253 41.061 44.810 1.00 0.00 WT4 O ATOM 48614 H1 TIP3 1853 37.974 41.970 44.918 1.00 0.00 WT4 H ATOM 48615 H2 TIP3 1853 37.547 40.545 45.198 1.00 0.00 WT4 H ATOM 48616 OH2 TIP3 1856 40.665 54.061 35.685 1.00 0.00 WT4 O ATOM 48617 H1 TIP3 1856 41.237 54.670 35.218 1.00 0.00 WT4 H ATOM 48618 H2 TIP3 1856 39.825 54.518 35.743 1.00 0.00 WT4 H ATOM 48619 OH2 TIP3 1870 62.965 1.213 48.366 1.00 0.00 WT4 O ATOM 48620 H1 TIP3 1870 63.366 0.382 48.110 1.00 0.00 WT4 H ATOM 48621 H2 TIP3 1870 63.439 1.874 47.861 1.00 0.00 WT4 H ATOM 48622 OH2 TIP3 1871 81.620 63.581 -10.581 1.00 0.00 WT4 O ATOM 48623 H1 TIP3 1871 82.011 62.919 -10.010 1.00 0.00 WT4 H ATOM 48624 H2 TIP3 1871 81.644 64.387 -10.065 1.00 0.00 WT4 H ATOM 48625 OH2 TIP3 1872 39.141 83.382 26.632 1.00 0.00 WT4 O ATOM 48626 H1 TIP3 1872 39.384 82.877 27.408 1.00 0.00 WT4 H ATOM 48627 H2 TIP3 1872 39.580 82.935 25.908 1.00 0.00 WT4 H ATOM 48628 OH2 TIP3 1873 70.569 80.335 -1.853 1.00 0.00 WT4 O ATOM 48629 H1 TIP3 1873 70.562 80.082 -0.929 1.00 0.00 WT4 H ATOM 48630 H2 TIP3 1873 69.980 79.711 -2.276 1.00 0.00 WT4 H ATOM 48631 OH2 TIP3 1875 41.308 75.720 56.273 1.00 0.00 WT4 O ATOM 48632 H1 TIP3 1875 41.346 75.340 55.396 1.00 0.00 WT4 H ATOM 48633 H2 TIP3 1875 41.004 76.617 56.133 1.00 0.00 WT4 H ATOM 48634 OH2 TIP3 1881 74.267 50.552 55.548 1.00 0.00 WT4 O ATOM 48635 H1 TIP3 1881 73.337 50.329 55.536 1.00 0.00 WT4 H ATOM 48636 H2 TIP3 1881 74.289 51.500 55.419 1.00 0.00 WT4 H ATOM 48637 OH2 TIP3 1885 25.270 70.394 8.181 1.00 0.00 WT4 O ATOM 48638 H1 TIP3 1885 26.169 70.616 8.422 1.00 0.00 WT4 H ATOM 48639 H2 TIP3 1885 24.738 71.086 8.572 1.00 0.00 WT4 H ATOM 48640 OH2 TIP3 1891 39.780 79.131 -3.267 1.00 0.00 WT4 O ATOM 48641 H1 TIP3 1891 40.673 79.282 -3.575 1.00 0.00 WT4 H ATOM 48642 H2 TIP3 1891 39.614 79.846 -2.653 1.00 0.00 WT4 H ATOM 48643 OH2 TIP3 1894 47.133 81.925 -2.035 1.00 0.00 WT4 O ATOM 48644 H1 TIP3 1894 47.724 81.175 -1.975 1.00 0.00 WT4 H ATOM 48645 H2 TIP3 1894 47.550 82.509 -2.668 1.00 0.00 WT4 H ATOM 48646 OH2 TIP3 1895 21.558 74.982 48.826 1.00 0.00 WT4 O ATOM 48647 H1 TIP3 1895 21.949 74.313 48.265 1.00 0.00 WT4 H ATOM 48648 H2 TIP3 1895 20.864 75.368 48.292 1.00 0.00 WT4 H ATOM 48649 OH2 TIP3 1896 74.654 10.715 58.567 1.00 0.00 WT4 O ATOM 48650 H1 TIP3 1896 75.491 10.971 58.179 1.00 0.00 WT4 H ATOM 48651 H2 TIP3 1896 74.020 11.331 58.198 1.00 0.00 WT4 H ATOM 48652 OH2 TIP3 1897 86.835 90.500 48.238 1.00 0.00 WT4 O ATOM 48653 H1 TIP3 1897 86.134 91.008 47.829 1.00 0.00 WT4 H ATOM 48654 H2 TIP3 1897 87.377 90.207 47.505 1.00 0.00 WT4 H ATOM 48655 OH2 TIP3 1911 87.202 83.971 14.579 1.00 0.00 WT4 O ATOM 48656 H1 TIP3 1911 87.584 83.578 13.794 1.00 0.00 WT4 H ATOM 48657 H2 TIP3 1911 87.480 84.886 14.548 1.00 0.00 WT4 H ATOM 48658 OH2 TIP3 1912 65.538 12.601 -19.099 1.00 0.00 WT4 O ATOM 48659 H1 TIP3 1912 64.751 12.894 -19.558 1.00 0.00 WT4 H ATOM 48660 H2 TIP3 1912 65.359 12.780 -18.176 1.00 0.00 WT4 H ATOM 48661 OH2 TIP3 1914 68.953 64.656 50.209 1.00 0.00 WT4 O ATOM 48662 H1 TIP3 1914 68.138 64.322 49.834 1.00 0.00 WT4 H ATOM 48663 H2 TIP3 1914 69.563 64.687 49.472 1.00 0.00 WT4 H ATOM 48664 OH2 TIP3 1915 50.473 3.933 55.260 1.00 0.00 WT4 O ATOM 48665 H1 TIP3 1915 50.556 3.470 56.094 1.00 0.00 WT4 H ATOM 48666 H2 TIP3 1915 50.342 4.849 55.507 1.00 0.00 WT4 H ATOM 48667 OH2 TIP3 1917 75.863 91.357 7.925 1.00 0.00 WT4 O ATOM 48668 H1 TIP3 1917 76.257 90.655 7.408 1.00 0.00 WT4 H ATOM 48669 H2 TIP3 1917 76.601 91.766 8.377 1.00 0.00 WT4 H ATOM 48670 OH2 TIP3 1919 68.842 58.260 53.199 1.00 0.00 WT4 O ATOM 48671 H1 TIP3 1919 68.702 59.206 53.241 1.00 0.00 WT4 H ATOM 48672 H2 TIP3 1919 68.156 57.892 53.756 1.00 0.00 WT4 H ATOM 48673 OH2 TIP3 1931 71.583 24.011 22.807 1.00 0.00 WT4 O ATOM 48674 H1 TIP3 1931 72.467 23.907 23.157 1.00 0.00 WT4 H ATOM 48675 H2 TIP3 1931 71.567 23.458 22.025 1.00 0.00 WT4 H ATOM 48676 OH2 TIP3 1935 62.947 17.042 0.958 1.00 0.00 WT4 O ATOM 48677 H1 TIP3 1935 63.702 17.166 1.534 1.00 0.00 WT4 H ATOM 48678 H2 TIP3 1935 62.762 16.104 1.003 1.00 0.00 WT4 H ATOM 48679 OH2 TIP3 1936 82.938 65.841 7.880 1.00 0.00 WT4 O ATOM 48680 H1 TIP3 1936 82.178 65.361 8.208 1.00 0.00 WT4 H ATOM 48681 H2 TIP3 1936 83.470 65.176 7.443 1.00 0.00 WT4 H ATOM 48682 OH2 TIP3 1937 59.291 13.722 -14.859 1.00 0.00 WT4 O ATOM 48683 H1 TIP3 1937 59.627 13.651 -15.752 1.00 0.00 WT4 H ATOM 48684 H2 TIP3 1937 59.486 12.873 -14.461 1.00 0.00 WT4 H ATOM 48685 OH2 TIP3 1938 59.191 8.559 23.400 1.00 0.00 WT4 O ATOM 48686 H1 TIP3 1938 60.093 8.849 23.531 1.00 0.00 WT4 H ATOM 48687 H2 TIP3 1938 58.800 9.230 22.841 1.00 0.00 WT4 H ATOM 48688 OH2 TIP3 1950 24.945 60.137 -7.660 1.00 0.00 WT4 O ATOM 48689 H1 TIP3 1950 24.822 59.389 -8.243 1.00 0.00 WT4 H ATOM 48690 H2 TIP3 1950 24.332 59.984 -6.941 1.00 0.00 WT4 H ATOM 48691 OH2 TIP3 1952 80.645 67.315 45.489 1.00 0.00 WT4 O ATOM 48692 H1 TIP3 1952 80.208 67.356 44.639 1.00 0.00 WT4 H ATOM 48693 H2 TIP3 1952 80.426 66.447 45.830 1.00 0.00 WT4 H ATOM 48694 OH2 TIP3 1954 22.017 5.366 2.652 1.00 0.00 WT4 O ATOM 48695 H1 TIP3 1954 22.599 6.093 2.431 1.00 0.00 WT4 H ATOM 48696 H2 TIP3 1954 22.606 4.630 2.819 1.00 0.00 WT4 H ATOM 48697 OH2 TIP3 1955 77.529 77.383 16.650 1.00 0.00 WT4 O ATOM 48698 H1 TIP3 1955 76.589 77.244 16.533 1.00 0.00 WT4 H ATOM 48699 H2 TIP3 1955 77.894 76.502 16.733 1.00 0.00 WT4 H ATOM 48700 OH2 TIP3 1977 54.098 73.773 55.431 1.00 0.00 WT4 O ATOM 48701 H1 TIP3 1977 54.099 74.072 56.341 1.00 0.00 WT4 H ATOM 48702 H2 TIP3 1977 53.286 73.274 55.344 1.00 0.00 WT4 H ATOM 48703 OH2 TIP3 1983 75.824 42.756 55.608 1.00 0.00 WT4 O ATOM 48704 H1 TIP3 1983 76.552 43.206 56.037 1.00 0.00 WT4 H ATOM 48705 H2 TIP3 1983 75.064 42.951 56.157 1.00 0.00 WT4 H ATOM 48706 OH2 TIP3 1993 87.807 93.437 18.771 1.00 0.00 WT4 O ATOM 48707 H1 TIP3 1993 87.767 94.233 18.241 1.00 0.00 WT4 H ATOM 48708 H2 TIP3 1993 86.912 93.096 18.759 1.00 0.00 WT4 H ATOM 48709 OH2 TIP3 2002 57.592 82.472 -16.139 1.00 0.00 WT4 O ATOM 48710 H1 TIP3 2002 57.889 83.155 -16.741 1.00 0.00 WT4 H ATOM 48711 H2 TIP3 2002 57.091 81.869 -16.689 1.00 0.00 WT4 H ATOM 48712 OH2 TIP3 2021 41.078 49.758 -15.464 1.00 0.00 WT4 O ATOM 48713 H1 TIP3 2021 41.449 49.654 -16.340 1.00 0.00 WT4 H ATOM 48714 H2 TIP3 2021 41.418 50.599 -15.158 1.00 0.00 WT4 H ATOM 48715 OH2 TIP3 2105 60.913 94.700 28.111 1.00 0.00 WT4 O ATOM 48716 H1 TIP3 2105 60.803 95.335 27.403 1.00 0.00 WT4 H ATOM 48717 H2 TIP3 2105 60.393 93.944 27.838 1.00 0.00 WT4 H ATOM 48718 OH2 TIP3 2123 83.016 70.647 41.134 1.00 0.00 WT4 O ATOM 48719 H1 TIP3 2123 83.281 69.776 41.430 1.00 0.00 WT4 H ATOM 48720 H2 TIP3 2123 83.777 70.980 40.658 1.00 0.00 WT4 H ATOM 48721 OH2 TIP3 2163 72.909 76.044 7.114 1.00 0.00 WT4 O ATOM 48722 H1 TIP3 2163 72.002 76.259 7.332 1.00 0.00 WT4 H ATOM 48723 H2 TIP3 2163 73.080 75.225 7.578 1.00 0.00 WT4 H ATOM 48724 OH2 TIP3 2165 38.651 31.740 58.312 1.00 0.00 WT4 O ATOM 48725 H1 TIP3 2165 39.206 32.519 58.326 1.00 0.00 WT4 H ATOM 48726 H2 TIP3 2165 39.238 31.031 58.051 1.00 0.00 WT4 H ATOM 48727 OH2 TIP3 2167 72.252 10.610 49.323 1.00 0.00 WT4 O ATOM 48728 H1 TIP3 2167 72.453 9.692 49.139 1.00 0.00 WT4 H ATOM 48729 H2 TIP3 2167 71.304 10.625 49.459 1.00 0.00 WT4 H ATOM 48730 OH2 TIP3 2185 81.576 3.371 61.366 1.00 0.00 WT4 O ATOM 48731 H1 TIP3 2185 82.136 3.916 61.919 1.00 0.00 WT4 H ATOM 48732 H2 TIP3 2185 80.931 3.980 61.005 1.00 0.00 WT4 H ATOM 48733 OH2 TIP3 2186 42.798 52.286 60.032 1.00 0.00 WT4 O ATOM 48734 H1 TIP3 2186 43.279 53.060 60.325 1.00 0.00 WT4 H ATOM 48735 H2 TIP3 2186 42.004 52.636 59.628 1.00 0.00 WT4 H ATOM 48736 OH2 TIP3 2187 81.388 88.890 3.371 1.00 0.00 WT4 O ATOM 48737 H1 TIP3 2187 80.902 88.467 2.664 1.00 0.00 WT4 H ATOM 48738 H2 TIP3 2187 80.860 89.654 3.601 1.00 0.00 WT4 H ATOM 48739 OH2 TIP3 2208 73.524 87.988 32.924 1.00 0.00 WT4 O ATOM 48740 H1 TIP3 2208 73.464 87.055 32.716 1.00 0.00 WT4 H ATOM 48741 H2 TIP3 2208 72.699 88.189 33.365 1.00 0.00 WT4 H ATOM 48742 OH2 TIP3 2227 40.373 53.749 43.459 1.00 0.00 WT4 O ATOM 48743 H1 TIP3 2227 39.462 53.760 43.164 1.00 0.00 WT4 H ATOM 48744 H2 TIP3 2227 40.809 54.404 42.914 1.00 0.00 WT4 H ATOM 48745 OH2 TIP3 2229 69.544 71.808 55.645 1.00 0.00 WT4 O ATOM 48746 H1 TIP3 2229 69.630 72.752 55.505 1.00 0.00 WT4 H ATOM 48747 H2 TIP3 2229 68.615 71.677 55.836 1.00 0.00 WT4 H ATOM 48748 OH2 TIP3 2231 90.113 52.170 16.178 1.00 0.00 WT4 O ATOM 48749 H1 TIP3 2231 90.468 51.282 16.127 1.00 0.00 WT4 H ATOM 48750 H2 TIP3 2231 89.164 52.048 16.187 1.00 0.00 WT4 H ATOM 48751 OH2 TIP3 2232 80.722 87.515 -15.977 1.00 0.00 WT4 O ATOM 48752 H1 TIP3 2232 81.636 87.321 -16.187 1.00 0.00 WT4 H ATOM 48753 H2 TIP3 2232 80.227 87.172 -16.721 1.00 0.00 WT4 H ATOM 48754 OH2 TIP3 2251 39.706 22.479 26.239 1.00 0.00 WT4 O ATOM 48755 H1 TIP3 2251 39.376 22.743 25.380 1.00 0.00 WT4 H ATOM 48756 H2 TIP3 2251 40.435 21.890 26.046 1.00 0.00 WT4 H ATOM 48757 OH2 TIP3 2253 39.915 80.285 27.632 1.00 0.00 WT4 O ATOM 48758 H1 TIP3 2253 40.201 79.405 27.389 1.00 0.00 WT4 H ATOM 48759 H2 TIP3 2253 38.989 80.184 27.852 1.00 0.00 WT4 H ATOM 48760 OH2 TIP3 2254 81.873 63.387 42.714 1.00 0.00 WT4 O ATOM 48761 H1 TIP3 2254 82.732 63.139 42.374 1.00 0.00 WT4 H ATOM 48762 H2 TIP3 2254 81.674 64.217 42.280 1.00 0.00 WT4 H ATOM 48763 OH2 TIP3 2269 68.086 87.953 -8.318 1.00 0.00 WT4 O ATOM 48764 H1 TIP3 2269 67.688 88.358 -9.088 1.00 0.00 WT4 H ATOM 48765 H2 TIP3 2269 68.038 88.627 -7.640 1.00 0.00 WT4 H ATOM 48766 OH2 TIP3 2270 84.272 51.008 53.005 1.00 0.00 WT4 O ATOM 48767 H1 TIP3 2270 83.743 51.592 52.461 1.00 0.00 WT4 H ATOM 48768 H2 TIP3 2270 84.079 50.131 52.673 1.00 0.00 WT4 H ATOM 48769 OH2 TIP3 2271 64.589 62.093 65.138 1.00 0.00 WT4 O ATOM 48770 H1 TIP3 2271 64.906 62.991 65.232 1.00 0.00 WT4 H ATOM 48771 H2 TIP3 2271 64.831 61.665 65.960 1.00 0.00 WT4 H ATOM 48772 OH2 TIP3 2272 23.884 47.393 -4.567 1.00 0.00 WT4 O ATOM 48773 H1 TIP3 2272 24.125 46.473 -4.668 1.00 0.00 WT4 H ATOM 48774 H2 TIP3 2272 23.104 47.378 -4.012 1.00 0.00 WT4 H ATOM 48775 OH2 TIP3 2273 68.466 74.995 -13.444 1.00 0.00 WT4 O ATOM 48776 H1 TIP3 2273 68.795 74.103 -13.335 1.00 0.00 WT4 H ATOM 48777 H2 TIP3 2273 68.441 75.128 -14.392 1.00 0.00 WT4 H ATOM 48778 OH2 TIP3 2274 29.853 48.520 43.021 1.00 0.00 WT4 O ATOM 48779 H1 TIP3 2274 30.503 48.611 43.718 1.00 0.00 WT4 H ATOM 48780 H2 TIP3 2274 30.365 48.320 42.238 1.00 0.00 WT4 H ATOM 48781 OH2 TIP3 2275 48.175 95.650 9.352 1.00 0.00 WT4 O ATOM 48782 H1 TIP3 2275 48.990 96.152 9.377 1.00 0.00 WT4 H ATOM 48783 H2 TIP3 2275 47.765 95.815 10.201 1.00 0.00 WT4 H ATOM 48784 OH2 TIP3 2277 23.162 81.183 1.476 1.00 0.00 WT4 O ATOM 48785 H1 TIP3 2277 23.693 81.310 0.689 1.00 0.00 WT4 H ATOM 48786 H2 TIP3 2277 23.482 81.844 2.090 1.00 0.00 WT4 H ATOM 48787 OH2 TIP3 2280 48.821 80.056 49.965 1.00 0.00 WT4 O ATOM 48788 H1 TIP3 2280 48.245 79.837 49.233 1.00 0.00 WT4 H ATOM 48789 H2 TIP3 2280 49.702 79.867 49.643 1.00 0.00 WT4 H ATOM 48790 OH2 TIP3 2288 63.018 93.070 35.893 1.00 0.00 WT4 O ATOM 48791 H1 TIP3 2288 62.678 93.640 35.204 1.00 0.00 WT4 H ATOM 48792 H2 TIP3 2288 62.316 93.035 36.543 1.00 0.00 WT4 H ATOM 48793 OH2 TIP3 2292 86.973 71.194 26.852 1.00 0.00 WT4 O ATOM 48794 H1 TIP3 2292 87.121 71.682 26.042 1.00 0.00 WT4 H ATOM 48795 H2 TIP3 2292 87.274 71.782 27.545 1.00 0.00 WT4 H ATOM 48796 OH2 TIP3 2293 38.185 5.817 10.903 1.00 0.00 WT4 O ATOM 48797 H1 TIP3 2293 38.079 5.155 11.586 1.00 0.00 WT4 H ATOM 48798 H2 TIP3 2293 38.650 6.535 11.334 1.00 0.00 WT4 H ATOM 48799 OH2 TIP3 2294 53.071 29.350 65.670 1.00 0.00 WT4 O ATOM 48800 H1 TIP3 2294 53.920 28.941 65.836 1.00 0.00 WT4 H ATOM 48801 H2 TIP3 2294 52.506 28.627 65.397 1.00 0.00 WT4 H ATOM 48802 OH2 TIP3 2296 57.785 76.271 31.850 1.00 0.00 WT4 O ATOM 48803 H1 TIP3 2296 57.511 76.406 30.943 1.00 0.00 WT4 H ATOM 48804 H2 TIP3 2296 57.617 75.343 32.016 1.00 0.00 WT4 H ATOM 48805 OH2 TIP3 2309 39.213 59.419 54.827 1.00 0.00 WT4 O ATOM 48806 H1 TIP3 2309 39.828 58.692 54.725 1.00 0.00 WT4 H ATOM 48807 H2 TIP3 2309 39.350 59.726 55.723 1.00 0.00 WT4 H ATOM 48808 OH2 TIP3 2311 59.252 0.754 -9.493 1.00 0.00 WT4 O ATOM 48809 H1 TIP3 2311 59.725 0.438 -8.723 1.00 0.00 WT4 H ATOM 48810 H2 TIP3 2311 58.653 0.041 -9.716 1.00 0.00 WT4 H ATOM 48811 OH2 TIP3 2312 29.836 41.045 -10.815 1.00 0.00 WT4 O ATOM 48812 H1 TIP3 2312 30.183 41.260 -11.680 1.00 0.00 WT4 H ATOM 48813 H2 TIP3 2312 30.245 40.208 -10.593 1.00 0.00 WT4 H ATOM 48814 OH2 TIP3 2313 33.014 96.506 48.195 1.00 0.00 WT4 O ATOM 48815 H1 TIP3 2313 33.441 96.395 47.346 1.00 0.00 WT4 H ATOM 48816 H2 TIP3 2313 33.678 96.245 48.833 1.00 0.00 WT4 H ATOM 48817 OH2 TIP3 2314 60.633 96.138 41.486 1.00 0.00 WT4 O ATOM 48818 H1 TIP3 2314 59.721 96.011 41.224 1.00 0.00 WT4 H ATOM 48819 H2 TIP3 2314 61.009 96.679 40.792 1.00 0.00 WT4 H ATOM 48820 OH2 TIP3 2315 77.741 28.976 30.021 1.00 0.00 WT4 O ATOM 48821 H1 TIP3 2315 78.205 28.373 29.439 1.00 0.00 WT4 H ATOM 48822 H2 TIP3 2315 78.166 29.821 29.878 1.00 0.00 WT4 H ATOM 48823 OH2 TIP3 2316 56.328 35.107 51.388 1.00 0.00 WT4 O ATOM 48824 H1 TIP3 2316 55.434 34.987 51.708 1.00 0.00 WT4 H ATOM 48825 H2 TIP3 2316 56.618 35.927 51.786 1.00 0.00 WT4 H ATOM 48826 OH2 TIP3 2317 77.983 56.391 51.645 1.00 0.00 WT4 O ATOM 48827 H1 TIP3 2317 77.300 55.857 52.050 1.00 0.00 WT4 H ATOM 48828 H2 TIP3 2317 77.539 56.851 50.933 1.00 0.00 WT4 H ATOM 48829 OH2 TIP3 2318 74.339 53.331 31.378 1.00 0.00 WT4 O ATOM 48830 H1 TIP3 2318 74.058 53.661 30.524 1.00 0.00 WT4 H ATOM 48831 H2 TIP3 2318 75.263 53.572 31.436 1.00 0.00 WT4 H ATOM 48832 OH2 TIP3 2319 87.408 2.578 -18.909 1.00 0.00 WT4 O ATOM 48833 H1 TIP3 2319 87.908 3.394 -18.940 1.00 0.00 WT4 H ATOM 48834 H2 TIP3 2319 87.401 2.267 -19.814 1.00 0.00 WT4 H ATOM 48835 OH2 TIP3 2329 46.697 43.457 9.754 1.00 0.00 WT4 O ATOM 48836 H1 TIP3 2329 46.796 42.506 9.797 1.00 0.00 WT4 H ATOM 48837 H2 TIP3 2329 45.956 43.647 10.329 1.00 0.00 WT4 H ATOM 48838 OH2 TIP3 2331 76.832 93.202 16.909 1.00 0.00 WT4 O ATOM 48839 H1 TIP3 2331 76.571 92.531 17.539 1.00 0.00 WT4 H ATOM 48840 H2 TIP3 2331 76.430 92.927 16.085 1.00 0.00 WT4 H ATOM 48841 OH2 TIP3 2332 60.079 20.314 20.181 1.00 0.00 WT4 O ATOM 48842 H1 TIP3 2332 59.532 20.119 20.942 1.00 0.00 WT4 H ATOM 48843 H2 TIP3 2332 59.793 21.182 19.896 1.00 0.00 WT4 H ATOM 48844 OH2 TIP3 2333 57.694 24.465 35.732 1.00 0.00 WT4 O ATOM 48845 H1 TIP3 2333 57.159 23.704 35.508 1.00 0.00 WT4 H ATOM 48846 H2 TIP3 2333 57.648 25.027 34.958 1.00 0.00 WT4 H ATOM 48847 OH2 TIP3 2335 68.575 64.559 2.173 1.00 0.00 WT4 O ATOM 48848 H1 TIP3 2335 68.836 65.272 2.755 1.00 0.00 WT4 H ATOM 48849 H2 TIP3 2335 67.623 64.635 2.113 1.00 0.00 WT4 H ATOM 48850 OH2 TIP3 2339 79.733 6.924 61.660 1.00 0.00 WT4 O ATOM 48851 H1 TIP3 2339 78.826 7.148 61.867 1.00 0.00 WT4 H ATOM 48852 H2 TIP3 2339 79.676 6.082 61.209 1.00 0.00 WT4 H ATOM 48853 OH2 TIP3 2351 85.669 64.692 -8.119 1.00 0.00 WT4 O ATOM 48854 H1 TIP3 2351 85.830 65.558 -7.744 1.00 0.00 WT4 H ATOM 48855 H2 TIP3 2351 85.953 64.769 -9.030 1.00 0.00 WT4 H ATOM 48856 OH2 TIP3 2352 61.527 81.715 50.042 1.00 0.00 WT4 O ATOM 48857 H1 TIP3 2352 60.908 81.781 49.315 1.00 0.00 WT4 H ATOM 48858 H2 TIP3 2352 62.016 80.911 49.869 1.00 0.00 WT4 H ATOM 48859 OH2 TIP3 2355 59.253 64.069 42.050 1.00 0.00 WT4 O ATOM 48860 H1 TIP3 2355 59.729 64.023 41.221 1.00 0.00 WT4 H ATOM 48861 H2 TIP3 2355 58.842 64.933 42.044 1.00 0.00 WT4 H ATOM 48862 OH2 TIP3 2357 45.990 42.792 -10.111 1.00 0.00 WT4 O ATOM 48863 H1 TIP3 2357 46.059 41.855 -9.929 1.00 0.00 WT4 H ATOM 48864 H2 TIP3 2357 46.623 42.948 -10.812 1.00 0.00 WT4 H ATOM 48865 OH2 TIP3 2358 42.308 93.170 0.353 1.00 0.00 WT4 O ATOM 48866 H1 TIP3 2358 41.914 93.073 1.220 1.00 0.00 WT4 H ATOM 48867 H2 TIP3 2358 42.541 92.278 0.094 1.00 0.00 WT4 H ATOM 48868 OH2 TIP3 2359 43.063 39.766 34.290 1.00 0.00 WT4 O ATOM 48869 H1 TIP3 2359 43.130 38.978 33.750 1.00 0.00 WT4 H ATOM 48870 H2 TIP3 2359 43.149 40.490 33.670 1.00 0.00 WT4 H ATOM 48871 OH2 TIP3 2376 89.047 20.312 -17.444 1.00 0.00 WT4 O ATOM 48872 H1 TIP3 2376 88.186 20.381 -17.856 1.00 0.00 WT4 H ATOM 48873 H2 TIP3 2376 89.569 19.801 -18.063 1.00 0.00 WT4 H ATOM 48874 OH2 TIP3 2377 61.180 2.115 24.677 1.00 0.00 WT4 O ATOM 48875 H1 TIP3 2377 62.131 2.039 24.755 1.00 0.00 WT4 H ATOM 48876 H2 TIP3 2377 60.848 1.263 24.960 1.00 0.00 WT4 H ATOM 48877 OH2 TIP3 2378 89.576 34.211 58.360 1.00 0.00 WT4 O ATOM 48878 H1 TIP3 2378 90.275 33.561 58.439 1.00 0.00 WT4 H ATOM 48879 H2 TIP3 2378 89.270 34.344 59.257 1.00 0.00 WT4 H ATOM 48880 OH2 TIP3 2380 66.292 78.434 45.202 1.00 0.00 WT4 O ATOM 48881 H1 TIP3 2380 66.391 77.798 45.910 1.00 0.00 WT4 H ATOM 48882 H2 TIP3 2380 67.172 78.789 45.074 1.00 0.00 WT4 H ATOM 48883 OH2 TIP3 2397 60.110 6.947 50.874 1.00 0.00 WT4 O ATOM 48884 H1 TIP3 2397 59.856 6.774 49.967 1.00 0.00 WT4 H ATOM 48885 H2 TIP3 2397 59.669 6.266 51.381 1.00 0.00 WT4 H ATOM 48886 OH2 TIP3 2398 64.987 2.178 -5.194 1.00 0.00 WT4 O ATOM 48887 H1 TIP3 2398 65.113 2.402 -4.272 1.00 0.00 WT4 H ATOM 48888 H2 TIP3 2398 65.048 3.015 -5.654 1.00 0.00 WT4 H ATOM 48889 OH2 TIP3 2418 62.335 20.301 -4.456 1.00 0.00 WT4 O ATOM 48890 H1 TIP3 2418 62.692 21.152 -4.202 1.00 0.00 WT4 H ATOM 48891 H2 TIP3 2418 63.103 19.779 -4.689 1.00 0.00 WT4 H ATOM 48892 OH2 TIP3 2436 75.957 5.414 3.792 1.00 0.00 WT4 O ATOM 48893 H1 TIP3 2436 75.396 4.770 3.362 1.00 0.00 WT4 H ATOM 48894 H2 TIP3 2436 76.819 4.999 3.823 1.00 0.00 WT4 H ATOM 48895 OH2 TIP3 2477 61.524 72.456 -17.479 1.00 0.00 WT4 O ATOM 48896 H1 TIP3 2477 61.538 72.595 -16.532 1.00 0.00 WT4 H ATOM 48897 H2 TIP3 2477 60.822 71.821 -17.618 1.00 0.00 WT4 H ATOM 48898 OH2 TIP3 2508 37.025 60.807 15.439 1.00 0.00 WT4 O ATOM 48899 H1 TIP3 2508 37.646 60.786 14.711 1.00 0.00 WT4 H ATOM 48900 H2 TIP3 2508 37.575 60.848 16.222 1.00 0.00 WT4 H ATOM 48901 OH2 TIP3 2606 80.080 56.950 -5.613 1.00 0.00 WT4 O ATOM 48902 H1 TIP3 2606 79.227 57.052 -6.035 1.00 0.00 WT4 H ATOM 48903 H2 TIP3 2606 79.898 57.036 -4.677 1.00 0.00 WT4 H ATOM 48904 OH2 TIP3 2607 82.214 60.693 48.960 1.00 0.00 WT4 O ATOM 48905 H1 TIP3 2607 82.353 61.294 48.229 1.00 0.00 WT4 H ATOM 48906 H2 TIP3 2607 83.063 60.648 49.400 1.00 0.00 WT4 H ATOM 48907 OH2 TIP3 2608 23.123 59.880 46.786 1.00 0.00 WT4 O ATOM 48908 H1 TIP3 2608 23.462 60.465 47.462 1.00 0.00 WT4 H ATOM 48909 H2 TIP3 2608 23.880 59.360 46.516 1.00 0.00 WT4 H ATOM 48910 OH2 TIP3 2610 44.069 51.993 38.956 1.00 0.00 WT4 O ATOM 48911 H1 TIP3 2610 43.840 52.570 38.227 1.00 0.00 WT4 H ATOM 48912 H2 TIP3 2610 43.268 51.501 39.134 1.00 0.00 WT4 H ATOM 48913 OH2 TIP3 2624 43.767 5.731 62.724 1.00 0.00 WT4 O ATOM 48914 H1 TIP3 2624 44.159 5.548 61.870 1.00 0.00 WT4 H ATOM 48915 H2 TIP3 2624 44.451 5.508 63.355 1.00 0.00 WT4 H ATOM 48916 OH2 TIP3 2628 44.742 80.799 -4.334 1.00 0.00 WT4 O ATOM 48917 H1 TIP3 2628 45.648 80.799 -4.643 1.00 0.00 WT4 H ATOM 48918 H2 TIP3 2628 44.383 79.968 -4.643 1.00 0.00 WT4 H ATOM 48919 OH2 TIP3 2630 32.584 43.505 28.405 1.00 0.00 WT4 O ATOM 48920 H1 TIP3 2630 33.483 43.779 28.585 1.00 0.00 WT4 H ATOM 48921 H2 TIP3 2630 32.116 44.321 28.228 1.00 0.00 WT4 H ATOM 48922 OH2 TIP3 2632 29.210 33.338 -18.023 1.00 0.00 WT4 O ATOM 48923 H1 TIP3 2632 30.161 33.435 -17.975 1.00 0.00 WT4 H ATOM 48924 H2 TIP3 2632 29.015 33.354 -18.960 1.00 0.00 WT4 H ATOM 48925 OH2 TIP3 2634 40.643 67.647 37.119 1.00 0.00 WT4 O ATOM 48926 H1 TIP3 2634 40.927 66.859 36.655 1.00 0.00 WT4 H ATOM 48927 H2 TIP3 2634 41.454 68.115 37.317 1.00 0.00 WT4 H ATOM 48928 OH2 TIP3 2635 74.247 24.189 57.907 1.00 0.00 WT4 O ATOM 48929 H1 TIP3 2635 74.436 23.349 58.326 1.00 0.00 WT4 H ATOM 48930 H2 TIP3 2635 75.040 24.393 57.411 1.00 0.00 WT4 H ATOM 48931 OH2 TIP3 2649 29.637 77.637 -4.440 1.00 0.00 WT4 O ATOM 48932 H1 TIP3 2649 30.144 77.318 -5.187 1.00 0.00 WT4 H ATOM 48933 H2 TIP3 2649 30.109 77.313 -3.673 1.00 0.00 WT4 H ATOM 48934 OH2 TIP3 2650 49.133 14.925 48.633 1.00 0.00 WT4 O ATOM 48935 H1 TIP3 2650 49.300 14.941 47.690 1.00 0.00 WT4 H ATOM 48936 H2 TIP3 2650 48.194 15.093 48.713 1.00 0.00 WT4 H ATOM 48937 OH2 TIP3 2652 30.638 19.103 -9.565 1.00 0.00 WT4 O ATOM 48938 H1 TIP3 2652 30.878 19.603 -8.784 1.00 0.00 WT4 H ATOM 48939 H2 TIP3 2652 29.991 18.469 -9.254 1.00 0.00 WT4 H ATOM 48940 OH2 TIP3 2654 39.143 62.574 54.599 1.00 0.00 WT4 O ATOM 48941 H1 TIP3 2654 38.762 61.698 54.656 1.00 0.00 WT4 H ATOM 48942 H2 TIP3 2654 38.492 63.088 54.121 1.00 0.00 WT4 H ATOM 48943 OH2 TIP3 2667 71.303 44.865 -5.531 1.00 0.00 WT4 O ATOM 48944 H1 TIP3 2667 70.414 45.176 -5.360 1.00 0.00 WT4 H ATOM 48945 H2 TIP3 2667 71.801 45.124 -4.755 1.00 0.00 WT4 H ATOM 48946 OH2 TIP3 2669 21.568 0.190 -17.597 1.00 0.00 WT4 O ATOM 48947 H1 TIP3 2669 20.760 0.681 -17.451 1.00 0.00 WT4 H ATOM 48948 H2 TIP3 2669 21.874 -0.036 -16.719 1.00 0.00 WT4 H ATOM 48949 OH2 TIP3 2670 68.732 79.664 44.726 1.00 0.00 WT4 O ATOM 48950 H1 TIP3 2670 69.265 79.235 45.396 1.00 0.00 WT4 H ATOM 48951 H2 TIP3 2670 69.273 80.391 44.418 1.00 0.00 WT4 H ATOM 48952 OH2 TIP3 2672 35.328 71.893 47.471 1.00 0.00 WT4 O ATOM 48953 H1 TIP3 2672 35.836 71.585 46.720 1.00 0.00 WT4 H ATOM 48954 H2 TIP3 2672 35.535 72.825 47.535 1.00 0.00 WT4 H ATOM 48955 OH2 TIP3 2673 47.614 7.185 27.283 1.00 0.00 WT4 O ATOM 48956 H1 TIP3 2673 47.162 7.934 26.895 1.00 0.00 WT4 H ATOM 48957 H2 TIP3 2673 47.846 6.632 26.537 1.00 0.00 WT4 H ATOM 48958 OH2 TIP3 2674 48.529 67.148 -2.524 1.00 0.00 WT4 O ATOM 48959 H1 TIP3 2674 48.666 66.729 -1.674 1.00 0.00 WT4 H ATOM 48960 H2 TIP3 2674 48.339 68.062 -2.312 1.00 0.00 WT4 H ATOM 48961 OH2 TIP3 2676 37.118 63.348 18.592 1.00 0.00 WT4 O ATOM 48962 H1 TIP3 2676 37.778 62.727 18.283 1.00 0.00 WT4 H ATOM 48963 H2 TIP3 2676 36.450 63.349 17.907 1.00 0.00 WT4 H ATOM 48964 OH2 TIP3 2690 52.557 36.584 3.233 1.00 0.00 WT4 O ATOM 48965 H1 TIP3 2690 52.746 37.023 4.062 1.00 0.00 WT4 H ATOM 48966 H2 TIP3 2690 52.266 35.708 3.486 1.00 0.00 WT4 H ATOM 48967 OH2 TIP3 2691 26.497 86.847 37.313 1.00 0.00 WT4 O ATOM 48968 H1 TIP3 2691 25.658 86.406 37.447 1.00 0.00 WT4 H ATOM 48969 H2 TIP3 2691 27.139 86.138 37.288 1.00 0.00 WT4 H ATOM 48970 OH2 TIP3 2692 89.548 84.233 38.333 1.00 0.00 WT4 O ATOM 48971 H1 TIP3 2692 88.857 84.143 38.989 1.00 0.00 WT4 H ATOM 48972 H2 TIP3 2692 89.201 83.793 37.557 1.00 0.00 WT4 H ATOM 48973 OH2 TIP3 2694 76.541 67.395 11.331 1.00 0.00 WT4 O ATOM 48974 H1 TIP3 2694 75.837 67.951 11.666 1.00 0.00 WT4 H ATOM 48975 H2 TIP3 2694 76.881 66.946 12.105 1.00 0.00 WT4 H ATOM 48976 OH2 TIP3 2695 26.447 23.534 20.206 1.00 0.00 WT4 O ATOM 48977 H1 TIP3 2695 25.544 23.296 20.415 1.00 0.00 WT4 H ATOM 48978 H2 TIP3 2695 26.612 24.325 20.719 1.00 0.00 WT4 H ATOM 48979 OH2 TIP3 2697 55.806 74.348 -11.505 1.00 0.00 WT4 O ATOM 48980 H1 TIP3 2697 56.431 73.664 -11.268 1.00 0.00 WT4 H ATOM 48981 H2 TIP3 2697 55.098 73.882 -11.950 1.00 0.00 WT4 H ATOM 48982 OH2 TIP3 2701 39.629 28.523 61.747 1.00 0.00 WT4 O ATOM 48983 H1 TIP3 2701 38.851 27.978 61.865 1.00 0.00 WT4 H ATOM 48984 H2 TIP3 2701 39.290 29.418 61.702 1.00 0.00 WT4 H ATOM 48985 OH2 TIP3 2709 56.247 88.753 -10.140 1.00 0.00 WT4 O ATOM 48986 H1 TIP3 2709 56.400 88.165 -10.879 1.00 0.00 WT4 H ATOM 48987 H2 TIP3 2709 56.568 88.270 -9.379 1.00 0.00 WT4 H ATOM 48988 OH2 TIP3 2710 60.778 4.180 3.970 1.00 0.00 WT4 O ATOM 48989 H1 TIP3 2710 61.097 3.493 4.555 1.00 0.00 WT4 H ATOM 48990 H2 TIP3 2710 60.111 3.749 3.436 1.00 0.00 WT4 H ATOM 48991 OH2 TIP3 2713 28.986 92.160 27.738 1.00 0.00 WT4 O ATOM 48992 H1 TIP3 2713 28.256 92.175 27.119 1.00 0.00 WT4 H ATOM 48993 H2 TIP3 2713 28.580 91.962 28.582 1.00 0.00 WT4 H ATOM 48994 OH2 TIP3 2714 84.901 57.771 11.954 1.00 0.00 WT4 O ATOM 48995 H1 TIP3 2714 85.453 58.543 12.082 1.00 0.00 WT4 H ATOM 48996 H2 TIP3 2714 84.990 57.563 11.024 1.00 0.00 WT4 H ATOM 48997 OH2 TIP3 2717 22.939 54.155 -9.782 1.00 0.00 WT4 O ATOM 48998 H1 TIP3 2717 22.614 54.910 -9.291 1.00 0.00 WT4 H ATOM 48999 H2 TIP3 2717 23.791 53.963 -9.390 1.00 0.00 WT4 H ATOM 49000 OH2 TIP3 2732 30.275 68.796 57.602 1.00 0.00 WT4 O ATOM 49001 H1 TIP3 2732 31.181 68.719 57.304 1.00 0.00 WT4 H ATOM 49002 H2 TIP3 2732 29.755 68.418 56.893 1.00 0.00 WT4 H ATOM 49003 OH2 TIP3 2734 87.159 79.806 14.596 1.00 0.00 WT4 O ATOM 49004 H1 TIP3 2734 87.687 80.558 14.862 1.00 0.00 WT4 H ATOM 49005 H2 TIP3 2734 86.470 79.750 15.258 1.00 0.00 WT4 H ATOM 49006 OH2 TIP3 2735 22.814 60.594 18.482 1.00 0.00 WT4 O ATOM 49007 H1 TIP3 2735 23.760 60.710 18.395 1.00 0.00 WT4 H ATOM 49008 H2 TIP3 2735 22.717 59.831 19.051 1.00 0.00 WT4 H ATOM 49009 OH2 TIP3 2736 88.972 59.507 13.930 1.00 0.00 WT4 O ATOM 49010 H1 TIP3 2736 89.031 59.078 14.784 1.00 0.00 WT4 H ATOM 49011 H2 TIP3 2736 89.816 59.946 13.823 1.00 0.00 WT4 H ATOM 49012 OH2 TIP3 2753 85.223 81.913 29.745 1.00 0.00 WT4 O ATOM 49013 H1 TIP3 2753 86.136 81.961 29.460 1.00 0.00 WT4 H ATOM 49014 H2 TIP3 2753 85.268 81.953 30.701 1.00 0.00 WT4 H ATOM 49015 OH2 TIP3 2754 89.948 61.023 49.680 1.00 0.00 WT4 O ATOM 49016 H1 TIP3 2754 89.639 60.502 50.421 1.00 0.00 WT4 H ATOM 49017 H2 TIP3 2754 89.361 61.778 49.656 1.00 0.00 WT4 H ATOM 49018 OH2 TIP3 2755 84.284 92.196 11.882 1.00 0.00 WT4 O ATOM 49019 H1 TIP3 2755 84.005 92.434 12.766 1.00 0.00 WT4 H ATOM 49020 H2 TIP3 2755 84.505 93.030 11.467 1.00 0.00 WT4 H ATOM 49021 OH2 TIP3 2757 26.110 11.239 59.435 1.00 0.00 WT4 O ATOM 49022 H1 TIP3 2757 25.821 12.151 59.460 1.00 0.00 WT4 H ATOM 49023 H2 TIP3 2757 25.883 10.891 60.297 1.00 0.00 WT4 H ATOM 49024 OH2 TIP3 2758 28.160 65.483 -18.299 1.00 0.00 WT4 O ATOM 49025 H1 TIP3 2758 28.393 64.556 -18.359 1.00 0.00 WT4 H ATOM 49026 H2 TIP3 2758 28.880 65.880 -17.810 1.00 0.00 WT4 H ATOM 49027 OH2 TIP3 2771 70.476 89.433 41.339 1.00 0.00 WT4 O ATOM 49028 H1 TIP3 2771 69.665 89.756 40.947 1.00 0.00 WT4 H ATOM 49029 H2 TIP3 2771 70.616 88.578 40.933 1.00 0.00 WT4 H ATOM 49030 OH2 TIP3 2773 63.477 84.818 57.987 1.00 0.00 WT4 O ATOM 49031 H1 TIP3 2773 63.515 85.663 58.436 1.00 0.00 WT4 H ATOM 49032 H2 TIP3 2773 64.246 84.814 57.417 1.00 0.00 WT4 H ATOM 49033 OH2 TIP3 2774 58.536 25.336 61.673 1.00 0.00 WT4 O ATOM 49034 H1 TIP3 2774 59.418 25.353 61.302 1.00 0.00 WT4 H ATOM 49035 H2 TIP3 2774 58.075 26.047 61.227 1.00 0.00 WT4 H ATOM 49036 OH2 TIP3 2775 75.795 92.446 27.492 1.00 0.00 WT4 O ATOM 49037 H1 TIP3 2775 75.635 91.503 27.496 1.00 0.00 WT4 H ATOM 49038 H2 TIP3 2775 74.930 92.837 27.618 1.00 0.00 WT4 H ATOM 49039 OH2 TIP3 2776 58.868 9.357 49.977 1.00 0.00 WT4 O ATOM 49040 H1 TIP3 2776 59.587 8.879 50.389 1.00 0.00 WT4 H ATOM 49041 H2 TIP3 2776 58.824 10.185 50.456 1.00 0.00 WT4 H ATOM 49042 OH2 TIP3 2777 90.759 69.331 -4.212 1.00 0.00 WT4 O ATOM 49043 H1 TIP3 2777 90.054 69.977 -4.169 1.00 0.00 WT4 H ATOM 49044 H2 TIP3 2777 91.235 69.439 -3.389 1.00 0.00 WT4 H ATOM 49045 OH2 TIP3 2778 78.276 83.822 60.405 1.00 0.00 WT4 O ATOM 49046 H1 TIP3 2778 78.641 83.523 59.573 1.00 0.00 WT4 H ATOM 49047 H2 TIP3 2778 77.366 83.524 60.389 1.00 0.00 WT4 H ATOM 49048 OH2 TIP3 2793 70.423 69.281 63.155 1.00 0.00 WT4 O ATOM 49049 H1 TIP3 2793 70.495 69.299 62.201 1.00 0.00 WT4 H ATOM 49050 H2 TIP3 2793 69.665 68.723 63.328 1.00 0.00 WT4 H ATOM 49051 OH2 TIP3 2794 89.849 40.792 -17.707 1.00 0.00 WT4 O ATOM 49052 H1 TIP3 2794 90.569 41.102 -17.158 1.00 0.00 WT4 H ATOM 49053 H2 TIP3 2794 89.124 41.384 -17.509 1.00 0.00 WT4 H ATOM 49054 OH2 TIP3 2795 52.280 55.879 -2.931 1.00 0.00 WT4 O ATOM 49055 H1 TIP3 2795 53.060 55.905 -3.485 1.00 0.00 WT4 H ATOM 49056 H2 TIP3 2795 52.549 55.378 -2.161 1.00 0.00 WT4 H ATOM 49057 OH2 TIP3 2797 64.298 5.211 11.051 1.00 0.00 WT4 O ATOM 49058 H1 TIP3 2797 64.257 5.582 10.169 1.00 0.00 WT4 H ATOM 49059 H2 TIP3 2797 63.969 4.318 10.951 1.00 0.00 WT4 H ATOM 49060 OH2 TIP3 2815 40.425 31.169 4.089 1.00 0.00 WT4 O ATOM 49061 H1 TIP3 2815 41.237 31.404 4.539 1.00 0.00 WT4 H ATOM 49062 H2 TIP3 2815 40.249 30.269 4.363 1.00 0.00 WT4 H ATOM 49063 OH2 TIP3 2817 75.144 80.951 10.118 1.00 0.00 WT4 O ATOM 49064 H1 TIP3 2817 75.180 81.889 9.930 1.00 0.00 WT4 H ATOM 49065 H2 TIP3 2817 74.223 80.718 10.000 1.00 0.00 WT4 H ATOM 49066 OH2 TIP3 2818 89.827 25.125 31.693 1.00 0.00 WT4 O ATOM 49067 H1 TIP3 2818 89.829 24.392 32.309 1.00 0.00 WT4 H ATOM 49068 H2 TIP3 2818 89.099 24.939 31.101 1.00 0.00 WT4 H ATOM 49069 OH2 TIP3 2820 59.726 88.215 34.971 1.00 0.00 WT4 O ATOM 49070 H1 TIP3 2820 59.484 87.881 34.108 1.00 0.00 WT4 H ATOM 49071 H2 TIP3 2820 59.926 87.432 35.484 1.00 0.00 WT4 H ATOM 49072 OH2 TIP3 2821 25.468 13.942 59.377 1.00 0.00 WT4 O ATOM 49073 H1 TIP3 2821 25.205 14.203 58.495 1.00 0.00 WT4 H ATOM 49074 H2 TIP3 2821 25.279 14.708 59.920 1.00 0.00 WT4 H ATOM 49075 OH2 TIP3 2832 71.393 69.811 32.276 1.00 0.00 WT4 O ATOM 49076 H1 TIP3 2832 71.119 70.558 31.745 1.00 0.00 WT4 H ATOM 49077 H2 TIP3 2832 71.110 69.045 31.777 1.00 0.00 WT4 H ATOM 49078 OH2 TIP3 2842 86.164 15.162 -3.679 1.00 0.00 WT4 O ATOM 49079 H1 TIP3 2842 85.859 14.777 -2.857 1.00 0.00 WT4 H ATOM 49080 H2 TIP3 2842 86.699 15.909 -3.411 1.00 0.00 WT4 H ATOM 49081 OH2 TIP3 2843 52.669 29.463 -10.765 1.00 0.00 WT4 O ATOM 49082 H1 TIP3 2843 52.277 30.126 -10.196 1.00 0.00 WT4 H ATOM 49083 H2 TIP3 2843 53.610 29.630 -10.715 1.00 0.00 WT4 H ATOM 49084 OH2 TIP3 2857 27.188 49.279 54.924 1.00 0.00 WT4 O ATOM 49085 H1 TIP3 2857 26.287 49.383 54.618 1.00 0.00 WT4 H ATOM 49086 H2 TIP3 2857 27.189 49.655 55.804 1.00 0.00 WT4 H ATOM 49087 OH2 TIP3 2862 67.452 54.827 67.400 1.00 0.00 WT4 O ATOM 49088 H1 TIP3 2862 67.319 54.930 66.457 1.00 0.00 WT4 H ATOM 49089 H2 TIP3 2862 66.852 55.459 67.797 1.00 0.00 WT4 H ATOM 49090 OH2 TIP3 2877 26.783 95.490 61.689 1.00 0.00 WT4 O ATOM 49091 H1 TIP3 2877 26.847 95.815 62.587 1.00 0.00 WT4 H ATOM 49092 H2 TIP3 2877 26.255 96.145 61.233 1.00 0.00 WT4 H ATOM 49093 OH2 TIP3 2878 63.333 90.433 55.544 1.00 0.00 WT4 O ATOM 49094 H1 TIP3 2878 62.997 90.705 54.690 1.00 0.00 WT4 H ATOM 49095 H2 TIP3 2878 62.564 90.103 56.010 1.00 0.00 WT4 H ATOM 49096 OH2 TIP3 2944 31.596 35.978 -16.963 1.00 0.00 WT4 O ATOM 49097 H1 TIP3 2944 31.671 35.104 -16.579 1.00 0.00 WT4 H ATOM 49098 H2 TIP3 2944 32.393 36.430 -16.685 1.00 0.00 WT4 H ATOM 49099 OH2 TIP3 3010 36.724 72.466 66.720 1.00 0.00 WT4 O ATOM 49100 H1 TIP3 3010 36.033 72.038 67.225 1.00 0.00 WT4 H ATOM 49101 H2 TIP3 3010 36.900 73.279 67.193 1.00 0.00 WT4 H ATOM 49102 OH2 TIP3 3012 42.338 68.726 -6.609 1.00 0.00 WT4 O ATOM 49103 H1 TIP3 3012 42.929 68.636 -5.861 1.00 0.00 WT4 H ATOM 49104 H2 TIP3 3012 41.462 68.722 -6.224 1.00 0.00 WT4 H ATOM 49105 OH2 TIP3 3027 72.233 80.251 15.455 1.00 0.00 WT4 O ATOM 49106 H1 TIP3 3027 72.742 80.689 14.773 1.00 0.00 WT4 H ATOM 49107 H2 TIP3 3027 71.837 79.500 15.014 1.00 0.00 WT4 H ATOM 49108 OH2 TIP3 3046 60.497 93.953 53.372 1.00 0.00 WT4 O ATOM 49109 H1 TIP3 3046 61.012 93.317 52.875 1.00 0.00 WT4 H ATOM 49110 H2 TIP3 3046 60.190 94.579 52.716 1.00 0.00 WT4 H ATOM 49111 OH2 TIP3 3049 67.953 88.542 -12.128 1.00 0.00 WT4 O ATOM 49112 H1 TIP3 3049 67.261 88.742 -11.497 1.00 0.00 WT4 H ATOM 49113 H2 TIP3 3049 67.763 87.650 -12.419 1.00 0.00 WT4 H ATOM 49114 OH2 TIP3 3050 51.686 56.543 -19.217 1.00 0.00 WT4 O ATOM 49115 H1 TIP3 3050 51.830 55.675 -19.592 1.00 0.00 WT4 H ATOM 49116 H2 TIP3 3050 52.402 57.076 -19.563 1.00 0.00 WT4 H ATOM 49117 OH2 TIP3 3070 53.148 1.951 54.690 1.00 0.00 WT4 O ATOM 49118 H1 TIP3 3070 52.460 1.288 54.626 1.00 0.00 WT4 H ATOM 49119 H2 TIP3 3070 52.990 2.533 53.947 1.00 0.00 WT4 H ATOM 49120 OH2 TIP3 3072 61.747 4.564 66.192 1.00 0.00 WT4 O ATOM 49121 H1 TIP3 3072 61.768 5.444 65.815 1.00 0.00 WT4 H ATOM 49122 H2 TIP3 3072 62.006 3.989 65.472 1.00 0.00 WT4 H ATOM 49123 OH2 TIP3 3073 47.714 28.305 37.334 1.00 0.00 WT4 O ATOM 49124 H1 TIP3 3073 47.851 27.395 37.596 1.00 0.00 WT4 H ATOM 49125 H2 TIP3 3073 47.255 28.701 38.075 1.00 0.00 WT4 H ATOM 49126 OH2 TIP3 3092 62.629 77.302 49.560 1.00 0.00 WT4 O ATOM 49127 H1 TIP3 3092 62.202 77.715 48.810 1.00 0.00 WT4 H ATOM 49128 H2 TIP3 3092 62.276 76.412 49.577 1.00 0.00 WT4 H ATOM 49129 OH2 TIP3 3095 63.353 91.683 1.890 1.00 0.00 WT4 O ATOM 49130 H1 TIP3 3095 62.478 91.844 2.243 1.00 0.00 WT4 H ATOM 49131 H2 TIP3 3095 63.392 90.734 1.769 1.00 0.00 WT4 H ATOM 49132 OH2 TIP3 3097 27.310 50.338 49.189 1.00 0.00 WT4 O ATOM 49133 H1 TIP3 3097 26.731 50.799 49.795 1.00 0.00 WT4 H ATOM 49134 H2 TIP3 3097 27.063 50.666 48.324 1.00 0.00 WT4 H ATOM 49135 OH2 TIP3 3108 35.588 29.684 14.377 1.00 0.00 WT4 O ATOM 49136 H1 TIP3 3108 35.716 29.036 15.070 1.00 0.00 WT4 H ATOM 49137 H2 TIP3 3108 34.860 30.224 14.686 1.00 0.00 WT4 H ATOM 49138 OH2 TIP3 3109 33.407 54.517 47.532 1.00 0.00 WT4 O ATOM 49139 H1 TIP3 3109 33.075 55.248 48.052 1.00 0.00 WT4 H ATOM 49140 H2 TIP3 3109 34.260 54.816 47.215 1.00 0.00 WT4 H ATOM 49141 OH2 TIP3 3111 27.137 34.994 -16.636 1.00 0.00 WT4 O ATOM 49142 H1 TIP3 3111 27.650 35.125 -15.839 1.00 0.00 WT4 H ATOM 49143 H2 TIP3 3111 27.643 34.360 -17.146 1.00 0.00 WT4 H ATOM 49144 OH2 TIP3 3112 48.174 16.115 64.575 1.00 0.00 WT4 O ATOM 49145 H1 TIP3 3112 47.348 16.114 64.091 1.00 0.00 WT4 H ATOM 49146 H2 TIP3 3112 48.617 15.314 64.297 1.00 0.00 WT4 H ATOM 49147 OH2 TIP3 3114 29.600 17.125 21.593 1.00 0.00 WT4 O ATOM 49148 H1 TIP3 3114 30.513 17.138 21.303 1.00 0.00 WT4 H ATOM 49149 H2 TIP3 3114 29.365 16.197 21.604 1.00 0.00 WT4 H ATOM 49150 OH2 TIP3 3115 44.708 65.733 65.252 1.00 0.00 WT4 O ATOM 49151 H1 TIP3 3115 45.201 66.332 65.812 1.00 0.00 WT4 H ATOM 49152 H2 TIP3 3115 44.728 66.141 64.386 1.00 0.00 WT4 H ATOM 49153 OH2 TIP3 3116 63.563 7.243 51.289 1.00 0.00 WT4 O ATOM 49154 H1 TIP3 3116 63.997 8.089 51.180 1.00 0.00 WT4 H ATOM 49155 H2 TIP3 3116 63.506 6.887 50.402 1.00 0.00 WT4 H ATOM 49156 OH2 TIP3 3133 63.767 46.946 12.938 1.00 0.00 WT4 O ATOM 49157 H1 TIP3 3133 63.569 46.094 13.326 1.00 0.00 WT4 H ATOM 49158 H2 TIP3 3133 63.158 47.551 13.363 1.00 0.00 WT4 H ATOM 49159 OH2 TIP3 3134 47.913 89.482 -18.510 1.00 0.00 WT4 O ATOM 49160 H1 TIP3 3134 47.308 88.853 -18.117 1.00 0.00 WT4 H ATOM 49161 H2 TIP3 3134 48.048 89.160 -19.402 1.00 0.00 WT4 H ATOM 49162 OH2 TIP3 3140 85.479 49.679 56.150 1.00 0.00 WT4 O ATOM 49163 H1 TIP3 3140 85.747 49.929 57.035 1.00 0.00 WT4 H ATOM 49164 H2 TIP3 3140 86.153 50.051 55.582 1.00 0.00 WT4 H ATOM 49165 OH2 TIP3 3150 38.142 88.210 -12.373 1.00 0.00 WT4 O ATOM 49166 H1 TIP3 3150 38.768 88.922 -12.504 1.00 0.00 WT4 H ATOM 49167 H2 TIP3 3150 37.925 87.915 -13.257 1.00 0.00 WT4 H ATOM 49168 OH2 TIP3 3151 44.302 45.303 66.992 1.00 0.00 WT4 O ATOM 49169 H1 TIP3 3151 45.137 45.168 66.543 1.00 0.00 WT4 H ATOM 49170 H2 TIP3 3151 43.755 45.757 66.351 1.00 0.00 WT4 H ATOM 49171 OH2 TIP3 3152 65.468 73.808 34.233 1.00 0.00 WT4 O ATOM 49172 H1 TIP3 3152 65.780 73.690 33.336 1.00 0.00 WT4 H ATOM 49173 H2 TIP3 3152 64.760 73.171 34.326 1.00 0.00 WT4 H ATOM 49174 OH2 TIP3 3154 65.874 83.625 0.408 1.00 0.00 WT4 O ATOM 49175 H1 TIP3 3154 65.491 83.174 -0.345 1.00 0.00 WT4 H ATOM 49176 H2 TIP3 3154 66.540 84.199 0.030 1.00 0.00 WT4 H ATOM 49177 OH2 TIP3 3157 58.275 94.090 -18.231 1.00 0.00 WT4 O ATOM 49178 H1 TIP3 3157 57.375 93.796 -18.373 1.00 0.00 WT4 H ATOM 49179 H2 TIP3 3157 58.321 94.942 -18.666 1.00 0.00 WT4 H ATOM 49180 OH2 TIP3 3173 86.322 87.035 27.016 1.00 0.00 WT4 O ATOM 49181 H1 TIP3 3173 86.932 86.355 26.730 1.00 0.00 WT4 H ATOM 49182 H2 TIP3 3173 85.672 86.569 27.542 1.00 0.00 WT4 H ATOM 49183 OH2 TIP3 3174 72.203 59.008 66.640 1.00 0.00 WT4 O ATOM 49184 H1 TIP3 3174 72.855 58.861 65.955 1.00 0.00 WT4 H ATOM 49185 H2 TIP3 3174 71.387 58.672 66.270 1.00 0.00 WT4 H ATOM 49186 OH2 TIP3 3176 66.307 61.516 47.278 1.00 0.00 WT4 O ATOM 49187 H1 TIP3 3176 65.964 60.840 47.862 1.00 0.00 WT4 H ATOM 49188 H2 TIP3 3176 67.120 61.147 46.934 1.00 0.00 WT4 H ATOM 49189 OH2 TIP3 3177 58.208 9.784 -3.996 1.00 0.00 WT4 O ATOM 49190 H1 TIP3 3177 58.443 10.534 -3.450 1.00 0.00 WT4 H ATOM 49191 H2 TIP3 3177 59.043 9.467 -4.339 1.00 0.00 WT4 H ATOM 49192 OH2 TIP3 3179 53.843 96.440 52.601 1.00 0.00 WT4 O ATOM 49193 H1 TIP3 3179 54.660 95.977 52.789 1.00 0.00 WT4 H ATOM 49194 H2 TIP3 3179 53.412 96.520 53.452 1.00 0.00 WT4 H ATOM 49195 OH2 TIP3 3180 83.062 74.144 63.096 1.00 0.00 WT4 O ATOM 49196 H1 TIP3 3180 83.501 73.358 62.773 1.00 0.00 WT4 H ATOM 49197 H2 TIP3 3180 82.750 73.903 63.968 1.00 0.00 WT4 H ATOM 49198 OH2 TIP3 3187 43.342 20.152 56.493 1.00 0.00 WT4 O ATOM 49199 H1 TIP3 3187 43.825 20.207 55.668 1.00 0.00 WT4 H ATOM 49200 H2 TIP3 3187 44.015 19.991 57.155 1.00 0.00 WT4 H ATOM 49201 OH2 TIP3 3192 64.561 59.303 48.677 1.00 0.00 WT4 O ATOM 49202 H1 TIP3 3192 65.106 58.866 49.331 1.00 0.00 WT4 H ATOM 49203 H2 TIP3 3192 64.503 58.676 47.956 1.00 0.00 WT4 H ATOM 49204 OH2 TIP3 3193 32.285 61.394 25.076 1.00 0.00 WT4 O ATOM 49205 H1 TIP3 3193 32.522 61.371 24.149 1.00 0.00 WT4 H ATOM 49206 H2 TIP3 3193 33.116 61.294 25.539 1.00 0.00 WT4 H ATOM 49207 OH2 TIP3 3195 47.093 86.106 29.809 1.00 0.00 WT4 O ATOM 49208 H1 TIP3 3195 46.361 86.316 29.229 1.00 0.00 WT4 H ATOM 49209 H2 TIP3 3195 47.859 86.095 29.235 1.00 0.00 WT4 H ATOM 49210 OH2 TIP3 3196 67.431 5.138 -18.063 1.00 0.00 WT4 O ATOM 49211 H1 TIP3 3196 66.838 4.928 -17.341 1.00 0.00 WT4 H ATOM 49212 H2 TIP3 3196 67.708 6.038 -17.893 1.00 0.00 WT4 H ATOM 49213 OH2 TIP3 3198 66.932 4.181 -12.818 1.00 0.00 WT4 O ATOM 49214 H1 TIP3 3198 66.890 4.129 -11.863 1.00 0.00 WT4 H ATOM 49215 H2 TIP3 3198 66.262 3.568 -13.122 1.00 0.00 WT4 H ATOM 49216 OH2 TIP3 3200 82.888 51.552 34.069 1.00 0.00 WT4 O ATOM 49217 H1 TIP3 3200 83.400 50.768 34.264 1.00 0.00 WT4 H ATOM 49218 H2 TIP3 3200 83.534 52.257 34.030 1.00 0.00 WT4 H ATOM 49219 OH2 TIP3 3202 38.022 73.638 3.923 1.00 0.00 WT4 O ATOM 49220 H1 TIP3 3202 37.206 73.964 4.303 1.00 0.00 WT4 H ATOM 49221 H2 TIP3 3202 38.673 74.303 4.146 1.00 0.00 WT4 H ATOM 49222 OH2 TIP3 3214 83.295 75.298 0.180 1.00 0.00 WT4 O ATOM 49223 H1 TIP3 3214 83.386 75.143 -0.760 1.00 0.00 WT4 H ATOM 49224 H2 TIP3 3214 82.399 75.618 0.285 1.00 0.00 WT4 H ATOM 49225 OH2 TIP3 3215 77.522 95.973 11.602 1.00 0.00 WT4 O ATOM 49226 H1 TIP3 3215 77.471 95.021 11.509 1.00 0.00 WT4 H ATOM 49227 H2 TIP3 3215 78.211 96.237 10.992 1.00 0.00 WT4 H ATOM 49228 OH2 TIP3 3218 70.633 32.499 -0.014 1.00 0.00 WT4 O ATOM 49229 H1 TIP3 3218 69.827 31.985 -0.065 1.00 0.00 WT4 H ATOM 49230 H2 TIP3 3218 70.678 32.958 -0.853 1.00 0.00 WT4 H ATOM 49231 OH2 TIP3 3233 53.886 46.719 -9.680 1.00 0.00 WT4 O ATOM 49232 H1 TIP3 3233 53.503 46.995 -8.847 1.00 0.00 WT4 H ATOM 49233 H2 TIP3 3233 54.652 47.282 -9.789 1.00 0.00 WT4 H ATOM 49234 OH2 TIP3 3234 57.083 88.872 46.882 1.00 0.00 WT4 O ATOM 49235 H1 TIP3 3234 57.430 88.060 47.252 1.00 0.00 WT4 H ATOM 49236 H2 TIP3 3234 57.215 88.783 45.939 1.00 0.00 WT4 H ATOM 49237 OH2 TIP3 3236 35.597 12.893 -8.687 1.00 0.00 WT4 O ATOM 49238 H1 TIP3 3236 35.247 13.316 -7.903 1.00 0.00 WT4 H ATOM 49239 H2 TIP3 3236 36.113 12.159 -8.355 1.00 0.00 WT4 H ATOM 49240 OH2 TIP3 3237 35.298 87.429 45.566 1.00 0.00 WT4 O ATOM 49241 H1 TIP3 3237 35.082 87.065 46.425 1.00 0.00 WT4 H ATOM 49242 H2 TIP3 3237 34.451 87.640 45.174 1.00 0.00 WT4 H ATOM 49243 OH2 TIP3 3238 68.979 17.671 4.200 1.00 0.00 WT4 O ATOM 49244 H1 TIP3 3238 69.898 17.413 4.123 1.00 0.00 WT4 H ATOM 49245 H2 TIP3 3238 69.009 18.598 4.438 1.00 0.00 WT4 H ATOM 49246 OH2 TIP3 3240 39.689 16.435 65.408 1.00 0.00 WT4 O ATOM 49247 H1 TIP3 3240 39.483 17.361 65.282 1.00 0.00 WT4 H ATOM 49248 H2 TIP3 3240 40.290 16.422 66.154 1.00 0.00 WT4 H ATOM 49249 OH2 TIP3 3242 43.950 2.209 4.561 1.00 0.00 WT4 O ATOM 49250 H1 TIP3 3242 43.393 2.647 3.917 1.00 0.00 WT4 H ATOM 49251 H2 TIP3 3242 43.632 2.524 5.407 1.00 0.00 WT4 H ATOM 49252 OH2 TIP3 3244 61.803 88.106 41.629 1.00 0.00 WT4 O ATOM 49253 H1 TIP3 3244 62.339 87.681 42.298 1.00 0.00 WT4 H ATOM 49254 H2 TIP3 3244 62.361 88.802 41.281 1.00 0.00 WT4 H ATOM 49255 OH2 TIP3 3257 51.027 84.646 63.611 1.00 0.00 WT4 O ATOM 49256 H1 TIP3 3257 51.360 85.161 62.876 1.00 0.00 WT4 H ATOM 49257 H2 TIP3 3257 51.735 84.036 63.817 1.00 0.00 WT4 H ATOM 49258 OH2 TIP3 3258 77.571 91.508 46.760 1.00 0.00 WT4 O ATOM 49259 H1 TIP3 3258 77.449 91.776 45.850 1.00 0.00 WT4 H ATOM 49260 H2 TIP3 3258 76.699 91.241 47.051 1.00 0.00 WT4 H ATOM 49261 OH2 TIP3 3262 63.399 50.648 -7.913 1.00 0.00 WT4 O ATOM 49262 H1 TIP3 3262 63.506 49.905 -7.319 1.00 0.00 WT4 H ATOM 49263 H2 TIP3 3262 63.989 51.318 -7.567 1.00 0.00 WT4 H ATOM 49264 OH2 TIP3 3274 88.343 1.448 65.704 1.00 0.00 WT4 O ATOM 49265 H1 TIP3 3274 87.958 0.653 66.071 1.00 0.00 WT4 H ATOM 49266 H2 TIP3 3274 87.741 1.707 65.006 1.00 0.00 WT4 H ATOM 49267 OH2 TIP3 3275 34.815 12.138 32.739 1.00 0.00 WT4 O ATOM 49268 H1 TIP3 3275 34.843 12.162 31.782 1.00 0.00 WT4 H ATOM 49269 H2 TIP3 3275 34.966 13.044 33.006 1.00 0.00 WT4 H ATOM 49270 OH2 TIP3 3280 42.603 29.280 39.486 1.00 0.00 WT4 O ATOM 49271 H1 TIP3 3280 42.376 29.766 40.279 1.00 0.00 WT4 H ATOM 49272 H2 TIP3 3280 41.827 29.353 38.930 1.00 0.00 WT4 H ATOM 49273 OH2 TIP3 3282 24.042 75.893 49.265 1.00 0.00 WT4 O ATOM 49274 H1 TIP3 3282 23.109 75.720 49.390 1.00 0.00 WT4 H ATOM 49275 H2 TIP3 3282 24.146 75.978 48.317 1.00 0.00 WT4 H ATOM 49276 OH2 TIP3 3296 72.681 86.792 14.616 1.00 0.00 WT4 O ATOM 49277 H1 TIP3 3296 73.574 87.069 14.822 1.00 0.00 WT4 H ATOM 49278 H2 TIP3 3296 72.149 87.154 15.324 1.00 0.00 WT4 H ATOM 49279 OH2 TIP3 3301 39.697 88.620 10.322 1.00 0.00 WT4 O ATOM 49280 H1 TIP3 3301 40.551 88.445 9.925 1.00 0.00 WT4 H ATOM 49281 H2 TIP3 3301 39.882 88.714 11.256 1.00 0.00 WT4 H ATOM 49282 OH2 TIP3 3302 69.440 28.474 -0.740 1.00 0.00 WT4 O ATOM 49283 H1 TIP3 3302 68.737 28.997 -0.353 1.00 0.00 WT4 H ATOM 49284 H2 TIP3 3302 69.152 28.312 -1.638 1.00 0.00 WT4 H ATOM 49285 OH2 TIP3 3303 43.806 89.431 -16.850 1.00 0.00 WT4 O ATOM 49286 H1 TIP3 3303 44.577 88.897 -17.042 1.00 0.00 WT4 H ATOM 49287 H2 TIP3 3303 43.171 89.188 -17.524 1.00 0.00 WT4 H ATOM 49288 OH2 TIP3 3304 84.995 90.104 20.430 1.00 0.00 WT4 O ATOM 49289 H1 TIP3 3304 85.339 90.527 21.217 1.00 0.00 WT4 H ATOM 49290 H2 TIP3 3304 84.367 89.461 20.758 1.00 0.00 WT4 H ATOM 49291 OH2 TIP3 3317 78.646 52.146 40.643 1.00 0.00 WT4 O ATOM 49292 H1 TIP3 3317 79.487 52.010 41.079 1.00 0.00 WT4 H ATOM 49293 H2 TIP3 3317 78.837 52.769 39.943 1.00 0.00 WT4 H ATOM 49294 OH2 TIP3 3347 60.437 76.404 0.716 1.00 0.00 WT4 O ATOM 49295 H1 TIP3 3347 59.662 76.965 0.698 1.00 0.00 WT4 H ATOM 49296 H2 TIP3 3347 60.103 75.528 0.524 1.00 0.00 WT4 H ATOM 49297 OH2 TIP3 3348 75.946 65.741 44.122 1.00 0.00 WT4 O ATOM 49298 H1 TIP3 3348 75.534 64.881 44.210 1.00 0.00 WT4 H ATOM 49299 H2 TIP3 3348 76.692 65.591 43.542 1.00 0.00 WT4 H ATOM 49300 OH2 TIP3 3367 35.776 56.660 60.739 1.00 0.00 WT4 O ATOM 49301 H1 TIP3 3367 35.570 56.145 61.519 1.00 0.00 WT4 H ATOM 49302 H2 TIP3 3367 35.188 56.320 60.065 1.00 0.00 WT4 H ATOM 49303 OH2 TIP3 3382 78.167 89.863 -18.391 1.00 0.00 WT4 O ATOM 49304 H1 TIP3 3382 77.374 90.386 -18.505 1.00 0.00 WT4 H ATOM 49305 H2 TIP3 3382 78.511 90.131 -17.539 1.00 0.00 WT4 H ATOM 49306 OH2 TIP3 3408 26.370 2.271 20.773 1.00 0.00 WT4 O ATOM 49307 H1 TIP3 3408 25.451 2.061 20.607 1.00 0.00 WT4 H ATOM 49308 H2 TIP3 3408 26.858 1.693 20.187 1.00 0.00 WT4 H ATOM 49309 OH2 TIP3 3426 42.620 63.225 -8.748 1.00 0.00 WT4 O ATOM 49310 H1 TIP3 3426 42.216 63.595 -7.963 1.00 0.00 WT4 H ATOM 49311 H2 TIP3 3426 43.088 62.451 -8.435 1.00 0.00 WT4 H ATOM 49312 OH2 TIP3 3442 25.939 70.315 64.036 1.00 0.00 WT4 O ATOM 49313 H1 TIP3 3442 26.620 70.462 63.380 1.00 0.00 WT4 H ATOM 49314 H2 TIP3 3442 25.211 70.870 63.756 1.00 0.00 WT4 H ATOM 49315 OH2 TIP3 3447 59.047 76.129 -12.964 1.00 0.00 WT4 O ATOM 49316 H1 TIP3 3447 59.964 75.854 -12.964 1.00 0.00 WT4 H ATOM 49317 H2 TIP3 3447 58.898 76.468 -12.082 1.00 0.00 WT4 H ATOM 49318 OH2 TIP3 3484 76.246 84.834 -1.125 1.00 0.00 WT4 O ATOM 49319 H1 TIP3 3484 76.102 84.162 -1.791 1.00 0.00 WT4 H ATOM 49320 H2 TIP3 3484 76.604 85.578 -1.608 1.00 0.00 WT4 H ATOM 49321 OH2 TIP3 3511 65.570 4.183 -16.065 1.00 0.00 WT4 O ATOM 49322 H1 TIP3 3511 65.708 4.803 -15.348 1.00 0.00 WT4 H ATOM 49323 H2 TIP3 3511 64.666 3.888 -15.955 1.00 0.00 WT4 H ATOM 49324 OH2 TIP3 3513 51.936 3.700 49.321 1.00 0.00 WT4 O ATOM 49325 H1 TIP3 3513 52.301 3.522 50.188 1.00 0.00 WT4 H ATOM 49326 H2 TIP3 3513 50.992 3.764 49.466 1.00 0.00 WT4 H ATOM 49327 OH2 TIP3 3514 80.202 66.600 42.509 1.00 0.00 WT4 O ATOM 49328 H1 TIP3 3514 79.453 66.007 42.563 1.00 0.00 WT4 H ATOM 49329 H2 TIP3 3514 79.824 67.473 42.620 1.00 0.00 WT4 H ATOM 49330 OH2 TIP3 3526 24.570 50.072 -4.408 1.00 0.00 WT4 O ATOM 49331 H1 TIP3 3526 24.293 49.265 -4.844 1.00 0.00 WT4 H ATOM 49332 H2 TIP3 3526 24.933 49.780 -3.572 1.00 0.00 WT4 H ATOM 49333 OH2 TIP3 3527 43.480 67.458 -17.766 1.00 0.00 WT4 O ATOM 49334 H1 TIP3 3527 43.156 68.338 -17.572 1.00 0.00 WT4 H ATOM 49335 H2 TIP3 3527 43.991 67.562 -18.568 1.00 0.00 WT4 H ATOM 49336 OH2 TIP3 3533 42.803 1.880 35.014 1.00 0.00 WT4 O ATOM 49337 H1 TIP3 3533 43.485 1.775 34.351 1.00 0.00 WT4 H ATOM 49338 H2 TIP3 3533 43.235 1.662 35.839 1.00 0.00 WT4 H ATOM 49339 OH2 TIP3 3534 75.958 50.099 43.040 1.00 0.00 WT4 O ATOM 49340 H1 TIP3 3534 75.186 49.577 43.259 1.00 0.00 WT4 H ATOM 49341 H2 TIP3 3534 75.720 50.554 42.232 1.00 0.00 WT4 H ATOM 49342 OH2 TIP3 3545 21.314 57.849 66.778 1.00 0.00 WT4 O ATOM 49343 H1 TIP3 3545 20.928 57.338 67.490 1.00 0.00 WT4 H ATOM 49344 H2 TIP3 3545 21.896 57.236 66.330 1.00 0.00 WT4 H ATOM 49345 OH2 TIP3 3548 57.360 70.648 47.685 1.00 0.00 WT4 O ATOM 49346 H1 TIP3 3548 58.128 70.999 47.233 1.00 0.00 WT4 H ATOM 49347 H2 TIP3 3548 57.692 69.892 48.169 1.00 0.00 WT4 H ATOM 49348 OH2 TIP3 3554 60.794 49.775 32.689 1.00 0.00 WT4 O ATOM 49349 H1 TIP3 3554 61.316 50.575 32.762 1.00 0.00 WT4 H ATOM 49350 H2 TIP3 3554 60.606 49.696 31.754 1.00 0.00 WT4 H ATOM 49351 OH2 TIP3 3555 83.924 6.432 -8.334 1.00 0.00 WT4 O ATOM 49352 H1 TIP3 3555 83.360 6.272 -9.091 1.00 0.00 WT4 H ATOM 49353 H2 TIP3 3555 83.320 6.680 -7.634 1.00 0.00 WT4 H ATOM 49354 OH2 TIP3 3569 58.920 83.021 11.562 1.00 0.00 WT4 O ATOM 49355 H1 TIP3 3569 57.979 82.850 11.557 1.00 0.00 WT4 H ATOM 49356 H2 TIP3 3569 59.321 82.162 11.430 1.00 0.00 WT4 H ATOM 49357 OH2 TIP3 3573 43.282 60.137 54.109 1.00 0.00 WT4 O ATOM 49358 H1 TIP3 3573 43.727 60.541 53.364 1.00 0.00 WT4 H ATOM 49359 H2 TIP3 3573 42.350 60.227 53.909 1.00 0.00 WT4 H ATOM 49360 OH2 TIP3 3575 80.985 58.132 -18.353 1.00 0.00 WT4 O ATOM 49361 H1 TIP3 3575 80.800 57.275 -17.969 1.00 0.00 WT4 H ATOM 49362 H2 TIP3 3575 81.811 58.013 -18.821 1.00 0.00 WT4 H ATOM 49363 OH2 TIP3 3593 32.282 84.464 -16.345 1.00 0.00 WT4 O ATOM 49364 H1 TIP3 3593 32.812 83.768 -15.957 1.00 0.00 WT4 H ATOM 49365 H2 TIP3 3593 32.920 85.083 -16.699 1.00 0.00 WT4 H ATOM 49366 OH2 TIP3 3595 37.588 64.457 8.333 1.00 0.00 WT4 O ATOM 49367 H1 TIP3 3595 37.488 63.752 8.972 1.00 0.00 WT4 H ATOM 49368 H2 TIP3 3595 38.532 64.605 8.285 1.00 0.00 WT4 H ATOM 49369 OH2 TIP3 3596 41.822 27.169 60.783 1.00 0.00 WT4 O ATOM 49370 H1 TIP3 3596 42.496 27.619 60.273 1.00 0.00 WT4 H ATOM 49371 H2 TIP3 3596 41.241 27.868 61.082 1.00 0.00 WT4 H ATOM 49372 OH2 TIP3 3597 49.333 4.152 -14.434 1.00 0.00 WT4 O ATOM 49373 H1 TIP3 3597 50.131 4.623 -14.676 1.00 0.00 WT4 H ATOM 49374 H2 TIP3 3597 48.727 4.320 -15.155 1.00 0.00 WT4 H ATOM 49375 OH2 TIP3 3599 88.856 75.150 -12.530 1.00 0.00 WT4 O ATOM 49376 H1 TIP3 3599 88.494 75.143 -11.644 1.00 0.00 WT4 H ATOM 49377 H2 TIP3 3599 89.169 74.256 -12.667 1.00 0.00 WT4 H ATOM 49378 OH2 TIP3 3614 72.030 4.753 67.155 1.00 0.00 WT4 O ATOM 49379 H1 TIP3 3614 71.951 3.841 66.874 1.00 0.00 WT4 H ATOM 49380 H2 TIP3 3614 71.216 5.165 66.864 1.00 0.00 WT4 H ATOM 49381 OH2 TIP3 3615 30.091 11.644 57.788 1.00 0.00 WT4 O ATOM 49382 H1 TIP3 3615 29.875 12.270 58.479 1.00 0.00 WT4 H ATOM 49383 H2 TIP3 3615 30.343 12.188 57.042 1.00 0.00 WT4 H ATOM 49384 OH2 TIP3 3623 46.615 96.399 27.736 1.00 0.00 WT4 O ATOM 49385 H1 TIP3 3623 46.056 95.787 28.214 1.00 0.00 WT4 H ATOM 49386 H2 TIP3 3623 46.592 96.088 26.831 1.00 0.00 WT4 H ATOM 49387 OH2 TIP3 3633 23.504 30.954 34.152 1.00 0.00 WT4 O ATOM 49388 H1 TIP3 3633 22.854 31.305 33.543 1.00 0.00 WT4 H ATOM 49389 H2 TIP3 3633 23.884 30.206 33.691 1.00 0.00 WT4 H ATOM 49390 OH2 TIP3 3634 71.308 9.280 46.834 1.00 0.00 WT4 O ATOM 49391 H1 TIP3 3634 72.172 9.172 46.436 1.00 0.00 WT4 H ATOM 49392 H2 TIP3 3634 71.308 8.674 47.575 1.00 0.00 WT4 H ATOM 49393 OH2 TIP3 3636 57.602 7.892 -9.686 1.00 0.00 WT4 O ATOM 49394 H1 TIP3 3636 57.379 6.964 -9.615 1.00 0.00 WT4 H ATOM 49395 H2 TIP3 3636 57.691 8.047 -10.626 1.00 0.00 WT4 H ATOM 49396 OH2 TIP3 3638 60.854 27.950 10.135 1.00 0.00 WT4 O ATOM 49397 H1 TIP3 3638 60.282 27.367 10.635 1.00 0.00 WT4 H ATOM 49398 H2 TIP3 3638 61.669 27.974 10.637 1.00 0.00 WT4 H ATOM 49399 OH2 TIP3 3639 45.610 81.580 62.577 1.00 0.00 WT4 O ATOM 49400 H1 TIP3 3639 44.823 81.115 62.292 1.00 0.00 WT4 H ATOM 49401 H2 TIP3 3639 46.022 81.872 61.764 1.00 0.00 WT4 H ATOM 49402 OH2 TIP3 3641 78.994 92.660 52.145 1.00 0.00 WT4 O ATOM 49403 H1 TIP3 3641 78.657 93.166 52.884 1.00 0.00 WT4 H ATOM 49404 H2 TIP3 3641 78.729 91.759 52.329 1.00 0.00 WT4 H ATOM 49405 OH2 TIP3 3650 72.698 62.753 61.624 1.00 0.00 WT4 O ATOM 49406 H1 TIP3 3650 73.338 62.576 60.935 1.00 0.00 WT4 H ATOM 49407 H2 TIP3 3650 71.900 62.314 61.329 1.00 0.00 WT4 H ATOM 49408 OH2 TIP3 3651 60.325 74.326 67.167 1.00 0.00 WT4 O ATOM 49409 H1 TIP3 3651 60.721 73.877 66.421 1.00 0.00 WT4 H ATOM 49410 H2 TIP3 3651 59.675 73.709 67.502 1.00 0.00 WT4 H ATOM 49411 OH2 TIP3 3653 28.799 34.778 40.012 1.00 0.00 WT4 O ATOM 49412 H1 TIP3 3653 28.865 34.099 39.340 1.00 0.00 WT4 H ATOM 49413 H2 TIP3 3653 29.185 35.555 39.607 1.00 0.00 WT4 H ATOM 49414 OH2 TIP3 3660 79.103 59.086 27.529 1.00 0.00 WT4 O ATOM 49415 H1 TIP3 3660 78.362 58.568 27.215 1.00 0.00 WT4 H ATOM 49416 H2 TIP3 3660 78.744 59.964 27.658 1.00 0.00 WT4 H ATOM 49417 OH2 TIP3 3661 73.449 30.672 1.254 1.00 0.00 WT4 O ATOM 49418 H1 TIP3 3661 72.867 30.957 1.958 1.00 0.00 WT4 H ATOM 49419 H2 TIP3 3661 74.147 30.192 1.699 1.00 0.00 WT4 H ATOM 49420 OH2 TIP3 3662 56.142 65.994 55.424 1.00 0.00 WT4 O ATOM 49421 H1 TIP3 3662 55.831 65.142 55.730 1.00 0.00 WT4 H ATOM 49422 H2 TIP3 3662 55.699 66.628 55.988 1.00 0.00 WT4 H ATOM 49423 OH2 TIP3 3674 57.544 81.201 60.714 1.00 0.00 WT4 O ATOM 49424 H1 TIP3 3674 58.457 81.487 60.734 1.00 0.00 WT4 H ATOM 49425 H2 TIP3 3674 57.451 80.754 59.872 1.00 0.00 WT4 H ATOM 49426 OH2 TIP3 3675 24.637 1.852 45.247 1.00 0.00 WT4 O ATOM 49427 H1 TIP3 3675 24.678 0.902 45.141 1.00 0.00 WT4 H ATOM 49428 H2 TIP3 3675 25.148 2.028 46.037 1.00 0.00 WT4 H ATOM 49429 OH2 TIP3 3693 55.497 2.812 46.626 1.00 0.00 WT4 O ATOM 49430 H1 TIP3 3693 55.564 3.647 47.087 1.00 0.00 WT4 H ATOM 49431 H2 TIP3 3693 55.958 2.956 45.799 1.00 0.00 WT4 H ATOM 49432 OH2 TIP3 3697 80.586 70.089 15.887 1.00 0.00 WT4 O ATOM 49433 H1 TIP3 3697 80.347 69.336 15.347 1.00 0.00 WT4 H ATOM 49434 H2 TIP3 3697 80.772 69.718 16.749 1.00 0.00 WT4 H ATOM 49435 OH2 TIP3 3700 20.594 65.407 32.483 1.00 0.00 WT4 O ATOM 49436 H1 TIP3 3700 21.325 64.997 32.944 1.00 0.00 WT4 H ATOM 49437 H2 TIP3 3700 19.820 64.938 32.796 1.00 0.00 WT4 H ATOM 49438 OH2 TIP3 3701 65.548 80.058 33.888 1.00 0.00 WT4 O ATOM 49439 H1 TIP3 3701 65.161 79.352 33.371 1.00 0.00 WT4 H ATOM 49440 H2 TIP3 3701 65.820 80.709 33.241 1.00 0.00 WT4 H ATOM 49441 OH2 TIP3 3703 51.776 74.598 -3.936 1.00 0.00 WT4 O ATOM 49442 H1 TIP3 3703 51.510 73.882 -4.513 1.00 0.00 WT4 H ATOM 49443 H2 TIP3 3703 52.066 74.164 -3.134 1.00 0.00 WT4 H ATOM 49444 OH2 TIP3 3708 39.930 92.030 -10.676 1.00 0.00 WT4 O ATOM 49445 H1 TIP3 3708 40.108 92.226 -11.596 1.00 0.00 WT4 H ATOM 49446 H2 TIP3 3708 40.334 91.175 -10.531 1.00 0.00 WT4 H ATOM 49447 OH2 TIP3 3718 29.412 96.408 20.942 1.00 0.00 WT4 O ATOM 49448 H1 TIP3 3718 28.556 95.979 20.951 1.00 0.00 WT4 H ATOM 49449 H2 TIP3 3718 29.605 96.578 21.864 1.00 0.00 WT4 H ATOM 49450 OH2 TIP3 3720 46.728 23.643 -16.677 1.00 0.00 WT4 O ATOM 49451 H1 TIP3 3720 46.910 23.127 -15.892 1.00 0.00 WT4 H ATOM 49452 H2 TIP3 3720 46.005 24.217 -16.424 1.00 0.00 WT4 H ATOM 49453 OH2 TIP3 3721 55.134 93.602 2.646 1.00 0.00 WT4 O ATOM 49454 H1 TIP3 3721 54.209 93.473 2.437 1.00 0.00 WT4 H ATOM 49455 H2 TIP3 3721 55.598 92.995 2.069 1.00 0.00 WT4 H ATOM 49456 OH2 TIP3 3722 80.933 82.113 13.142 1.00 0.00 WT4 O ATOM 49457 H1 TIP3 3722 81.753 81.691 12.887 1.00 0.00 WT4 H ATOM 49458 H2 TIP3 3722 80.320 81.389 13.271 1.00 0.00 WT4 H ATOM 49459 OH2 TIP3 3723 58.785 11.357 59.901 1.00 0.00 WT4 O ATOM 49460 H1 TIP3 3723 58.753 11.209 58.956 1.00 0.00 WT4 H ATOM 49461 H2 TIP3 3723 58.195 10.699 60.267 1.00 0.00 WT4 H ATOM 49462 OH2 TIP3 3727 81.399 75.906 48.113 1.00 0.00 WT4 O ATOM 49463 H1 TIP3 3727 81.492 76.834 48.328 1.00 0.00 WT4 H ATOM 49464 H2 TIP3 3727 80.525 75.674 48.426 1.00 0.00 WT4 H ATOM 49465 OH2 TIP3 3740 73.647 84.502 1.941 1.00 0.00 WT4 O ATOM 49466 H1 TIP3 3740 73.747 83.896 1.207 1.00 0.00 WT4 H ATOM 49467 H2 TIP3 3740 73.128 85.224 1.587 1.00 0.00 WT4 H ATOM 49468 OH2 TIP3 3757 46.451 0.476 45.730 1.00 0.00 WT4 O ATOM 49469 H1 TIP3 3757 46.072 -0.331 46.078 1.00 0.00 WT4 H ATOM 49470 H2 TIP3 3757 45.861 1.168 46.029 1.00 0.00 WT4 H ATOM 49471 OH2 TIP3 3821 48.607 71.129 -9.155 1.00 0.00 WT4 O ATOM 49472 H1 TIP3 3821 48.382 70.940 -8.244 1.00 0.00 WT4 H ATOM 49473 H2 TIP3 3821 48.184 70.432 -9.656 1.00 0.00 WT4 H ATOM 49474 OH2 TIP3 3829 34.832 39.551 22.578 1.00 0.00 WT4 O ATOM 49475 H1 TIP3 3829 35.783 39.608 22.490 1.00 0.00 WT4 H ATOM 49476 H2 TIP3 3829 34.508 39.529 21.678 1.00 0.00 WT4 H ATOM 49477 OH2 TIP3 3925 43.607 59.218 4.567 1.00 0.00 WT4 O ATOM 49478 H1 TIP3 3925 43.726 59.863 5.264 1.00 0.00 WT4 H ATOM 49479 H2 TIP3 3925 43.891 58.390 4.955 1.00 0.00 WT4 H ATOM 49480 OH2 TIP3 3931 48.246 16.077 34.164 1.00 0.00 WT4 O ATOM 49481 H1 TIP3 3931 48.285 15.207 33.767 1.00 0.00 WT4 H ATOM 49482 H2 TIP3 3931 47.598 16.550 33.642 1.00 0.00 WT4 H ATOM 49483 OH2 TIP3 3933 20.131 16.393 59.017 1.00 0.00 WT4 O ATOM 49484 H1 TIP3 3933 21.078 16.308 59.124 1.00 0.00 WT4 H ATOM 49485 H2 TIP3 3933 19.938 17.290 59.290 1.00 0.00 WT4 H ATOM 49486 OH2 TIP3 3951 78.814 55.987 -13.451 1.00 0.00 WT4 O ATOM 49487 H1 TIP3 3951 78.178 56.694 -13.557 1.00 0.00 WT4 H ATOM 49488 H2 TIP3 3951 78.338 55.306 -12.975 1.00 0.00 WT4 H ATOM 49489 OH2 TIP3 3973 62.787 70.905 -9.642 1.00 0.00 WT4 O ATOM 49490 H1 TIP3 3973 61.980 71.170 -9.201 1.00 0.00 WT4 H ATOM 49491 H2 TIP3 3973 63.033 70.083 -9.218 1.00 0.00 WT4 H ATOM 49492 OH2 TIP3 3974 62.691 9.979 32.832 1.00 0.00 WT4 O ATOM 49493 H1 TIP3 3974 61.984 9.902 33.473 1.00 0.00 WT4 H ATOM 49494 H2 TIP3 3974 62.246 10.176 32.007 1.00 0.00 WT4 H ATOM 49495 OH2 TIP3 3975 28.794 83.404 34.747 1.00 0.00 WT4 O ATOM 49496 H1 TIP3 3975 28.240 82.640 34.587 1.00 0.00 WT4 H ATOM 49497 H2 TIP3 3975 28.784 83.513 35.698 1.00 0.00 WT4 H ATOM 49498 OH2 TIP3 3976 62.382 75.351 46.222 1.00 0.00 WT4 O ATOM 49499 H1 TIP3 3976 62.215 76.288 46.125 1.00 0.00 WT4 H ATOM 49500 H2 TIP3 3976 63.327 75.261 46.095 1.00 0.00 WT4 H ATOM 49501 OH2 TIP3 3977 29.216 64.352 44.073 1.00 0.00 WT4 O ATOM 49502 H1 TIP3 3977 29.938 64.728 44.577 1.00 0.00 WT4 H ATOM 49503 H2 TIP3 3977 29.622 63.657 43.554 1.00 0.00 WT4 H ATOM 49504 OH2 TIP3 3991 60.629 76.829 55.195 1.00 0.00 WT4 O ATOM 49505 H1 TIP3 3991 60.196 77.678 55.115 1.00 0.00 WT4 H ATOM 49506 H2 TIP3 3991 60.164 76.388 55.906 1.00 0.00 WT4 H ATOM 49507 OH2 TIP3 3992 85.009 82.489 -6.839 1.00 0.00 WT4 O ATOM 49508 H1 TIP3 3992 84.536 83.317 -6.929 1.00 0.00 WT4 H ATOM 49509 H2 TIP3 3992 85.371 82.515 -5.953 1.00 0.00 WT4 H ATOM 49510 OH2 TIP3 3993 57.203 81.340 14.383 1.00 0.00 WT4 O ATOM 49511 H1 TIP3 3993 56.915 80.522 14.788 1.00 0.00 WT4 H ATOM 49512 H2 TIP3 3993 58.065 81.506 14.764 1.00 0.00 WT4 H ATOM 49513 OH2 TIP3 3995 69.834 61.479 -8.146 1.00 0.00 WT4 O ATOM 49514 H1 TIP3 3995 69.066 61.245 -7.626 1.00 0.00 WT4 H ATOM 49515 H2 TIP3 3995 69.652 61.123 -9.016 1.00 0.00 WT4 H ATOM 49516 OH2 TIP3 4009 33.792 89.055 5.649 1.00 0.00 WT4 O ATOM 49517 H1 TIP3 4009 33.606 88.132 5.476 1.00 0.00 WT4 H ATOM 49518 H2 TIP3 4009 33.126 89.319 6.283 1.00 0.00 WT4 H ATOM 49519 OH2 TIP3 4010 55.393 96.265 27.774 1.00 0.00 WT4 O ATOM 49520 H1 TIP3 4010 55.371 97.211 27.631 1.00 0.00 WT4 H ATOM 49521 H2 TIP3 4010 56.301 96.018 27.601 1.00 0.00 WT4 H ATOM 49522 OH2 TIP3 4012 20.324 63.422 56.421 1.00 0.00 WT4 O ATOM 49523 H1 TIP3 4012 20.197 64.179 56.992 1.00 0.00 WT4 H ATOM 49524 H2 TIP3 4012 21.157 63.590 55.981 1.00 0.00 WT4 H ATOM 49525 OH2 TIP3 4014 46.719 66.599 -4.407 1.00 0.00 WT4 O ATOM 49526 H1 TIP3 4014 46.741 65.661 -4.221 1.00 0.00 WT4 H ATOM 49527 H2 TIP3 4014 47.455 66.960 -3.911 1.00 0.00 WT4 H ATOM 49528 OH2 TIP3 4015 59.488 76.753 46.498 1.00 0.00 WT4 O ATOM 49529 H1 TIP3 4015 59.566 76.136 45.770 1.00 0.00 WT4 H ATOM 49530 H2 TIP3 4015 60.087 77.465 46.273 1.00 0.00 WT4 H ATOM 49531 OH2 TIP3 4016 59.446 19.644 28.131 1.00 0.00 WT4 O ATOM 49532 H1 TIP3 4016 59.817 20.193 27.440 1.00 0.00 WT4 H ATOM 49533 H2 TIP3 4016 60.173 19.493 28.734 1.00 0.00 WT4 H ATOM 49534 OH2 TIP3 4017 31.164 77.047 37.539 1.00 0.00 WT4 O ATOM 49535 H1 TIP3 4017 31.492 77.608 36.836 1.00 0.00 WT4 H ATOM 49536 H2 TIP3 4017 31.641 76.224 37.432 1.00 0.00 WT4 H ATOM 49537 OH2 TIP3 4021 75.020 61.995 -6.555 1.00 0.00 WT4 O ATOM 49538 H1 TIP3 4021 75.047 61.039 -6.612 1.00 0.00 WT4 H ATOM 49539 H2 TIP3 4021 74.847 62.284 -7.451 1.00 0.00 WT4 H ATOM 49540 OH2 TIP3 4022 80.419 12.267 51.202 1.00 0.00 WT4 O ATOM 49541 H1 TIP3 4022 80.085 11.372 51.272 1.00 0.00 WT4 H ATOM 49542 H2 TIP3 4022 79.668 12.780 50.903 1.00 0.00 WT4 H ATOM 49543 OH2 TIP3 4030 43.074 11.983 12.008 1.00 0.00 WT4 O ATOM 49544 H1 TIP3 4030 42.555 11.438 12.598 1.00 0.00 WT4 H ATOM 49545 H2 TIP3 4030 43.550 11.359 11.460 1.00 0.00 WT4 H ATOM 49546 OH2 TIP3 4035 75.006 71.233 -4.615 1.00 0.00 WT4 O ATOM 49547 H1 TIP3 4035 75.515 71.063 -5.408 1.00 0.00 WT4 H ATOM 49548 H2 TIP3 4035 74.717 70.368 -4.325 1.00 0.00 WT4 H ATOM 49549 OH2 TIP3 4036 39.330 4.874 52.991 1.00 0.00 WT4 O ATOM 49550 H1 TIP3 4036 40.121 5.399 52.872 1.00 0.00 WT4 H ATOM 49551 H2 TIP3 4036 39.557 4.251 53.682 1.00 0.00 WT4 H ATOM 49552 OH2 TIP3 4040 84.894 35.380 57.442 1.00 0.00 WT4 O ATOM 49553 H1 TIP3 4040 84.308 34.654 57.654 1.00 0.00 WT4 H ATOM 49554 H2 TIP3 4040 85.664 34.963 57.056 1.00 0.00 WT4 H ATOM 49555 OH2 TIP3 4053 89.248 68.942 65.607 1.00 0.00 WT4 O ATOM 49556 H1 TIP3 4053 88.492 68.412 65.860 1.00 0.00 WT4 H ATOM 49557 H2 TIP3 4053 89.617 68.487 64.850 1.00 0.00 WT4 H ATOM 49558 OH2 TIP3 4054 24.765 83.673 -19.478 1.00 0.00 WT4 O ATOM 49559 H1 TIP3 4054 24.839 82.721 -19.417 1.00 0.00 WT4 H ATOM 49560 H2 TIP3 4054 25.445 84.005 -18.892 1.00 0.00 WT4 H ATOM 49561 OH2 TIP3 4055 88.380 93.658 61.039 1.00 0.00 WT4 O ATOM 49562 H1 TIP3 4055 87.959 92.981 60.509 1.00 0.00 WT4 H ATOM 49563 H2 TIP3 4055 88.177 93.416 61.943 1.00 0.00 WT4 H ATOM 49564 OH2 TIP3 4056 68.924 48.109 -1.885 1.00 0.00 WT4 O ATOM 49565 H1 TIP3 4056 68.737 48.264 -0.959 1.00 0.00 WT4 H ATOM 49566 H2 TIP3 4056 68.868 48.975 -2.289 1.00 0.00 WT4 H ATOM 49567 OH2 TIP3 4057 64.851 80.770 3.786 1.00 0.00 WT4 O ATOM 49568 H1 TIP3 4057 64.011 81.001 3.389 1.00 0.00 WT4 H ATOM 49569 H2 TIP3 4057 64.739 80.968 4.716 1.00 0.00 WT4 H ATOM 49570 OH2 TIP3 4058 65.630 9.734 49.574 1.00 0.00 WT4 O ATOM 49571 H1 TIP3 4058 65.568 10.386 48.876 1.00 0.00 WT4 H ATOM 49572 H2 TIP3 4058 65.642 8.893 49.116 1.00 0.00 WT4 H ATOM 49573 OH2 TIP3 4059 57.584 7.826 32.448 1.00 0.00 WT4 O ATOM 49574 H1 TIP3 4059 58.368 7.910 32.990 1.00 0.00 WT4 H ATOM 49575 H2 TIP3 4059 56.869 8.117 33.014 1.00 0.00 WT4 H ATOM 49576 OH2 TIP3 4060 57.692 82.221 66.884 1.00 0.00 WT4 O ATOM 49577 H1 TIP3 4060 57.457 82.778 66.142 1.00 0.00 WT4 H ATOM 49578 H2 TIP3 4060 57.619 81.328 66.545 1.00 0.00 WT4 H ATOM 49579 OH2 TIP3 4064 58.066 62.901 35.065 1.00 0.00 WT4 O ATOM 49580 H1 TIP3 4064 57.179 62.591 34.881 1.00 0.00 WT4 H ATOM 49581 H2 TIP3 4064 58.587 62.589 34.326 1.00 0.00 WT4 H ATOM 49582 OH2 TIP3 4072 30.644 73.367 19.147 1.00 0.00 WT4 O ATOM 49583 H1 TIP3 4072 31.545 73.109 18.953 1.00 0.00 WT4 H ATOM 49584 H2 TIP3 4072 30.461 72.975 20.001 1.00 0.00 WT4 H ATOM 49585 OH2 TIP3 4074 69.844 55.610 66.218 1.00 0.00 WT4 O ATOM 49586 H1 TIP3 4074 69.190 55.072 66.665 1.00 0.00 WT4 H ATOM 49587 H2 TIP3 4074 69.629 56.508 66.471 1.00 0.00 WT4 H ATOM 49588 OH2 TIP3 4076 31.249 90.875 49.924 1.00 0.00 WT4 O ATOM 49589 H1 TIP3 4076 32.153 90.606 49.765 1.00 0.00 WT4 H ATOM 49590 H2 TIP3 4076 31.117 91.628 49.348 1.00 0.00 WT4 H ATOM 49591 OH2 TIP3 4077 71.993 38.586 43.353 1.00 0.00 WT4 O ATOM 49592 H1 TIP3 4077 72.000 39.291 44.000 1.00 0.00 WT4 H ATOM 49593 H2 TIP3 4077 72.250 39.009 42.534 1.00 0.00 WT4 H ATOM 49594 OH2 TIP3 4078 61.876 68.766 -14.525 1.00 0.00 WT4 O ATOM 49595 H1 TIP3 4078 62.790 68.498 -14.618 1.00 0.00 WT4 H ATOM 49596 H2 TIP3 4078 61.919 69.625 -14.105 1.00 0.00 WT4 H ATOM 49597 OH2 TIP3 4083 63.578 29.692 43.413 1.00 0.00 WT4 O ATOM 49598 H1 TIP3 4083 62.663 29.904 43.599 1.00 0.00 WT4 H ATOM 49599 H2 TIP3 4083 64.066 30.065 44.147 1.00 0.00 WT4 H ATOM 49600 OH2 TIP3 4093 26.878 37.115 56.332 1.00 0.00 WT4 O ATOM 49601 H1 TIP3 4093 26.704 37.881 56.879 1.00 0.00 WT4 H ATOM 49602 H2 TIP3 4093 27.795 36.900 56.505 1.00 0.00 WT4 H ATOM 49603 OH2 TIP3 4097 59.956 17.752 31.913 1.00 0.00 WT4 O ATOM 49604 H1 TIP3 4097 60.513 16.994 32.092 1.00 0.00 WT4 H ATOM 49605 H2 TIP3 4097 60.431 18.493 32.289 1.00 0.00 WT4 H ATOM 49606 OH2 TIP3 4098 65.694 70.556 39.615 1.00 0.00 WT4 O ATOM 49607 H1 TIP3 4098 65.605 70.827 38.701 1.00 0.00 WT4 H ATOM 49608 H2 TIP3 4098 66.600 70.255 39.688 1.00 0.00 WT4 H ATOM 49609 OH2 TIP3 4099 81.031 83.098 61.833 1.00 0.00 WT4 O ATOM 49610 H1 TIP3 4099 80.214 83.561 61.649 1.00 0.00 WT4 H ATOM 49611 H2 TIP3 4099 81.034 82.363 61.219 1.00 0.00 WT4 H ATOM 49612 OH2 TIP3 4101 22.469 41.752 40.595 1.00 0.00 WT4 O ATOM 49613 H1 TIP3 4101 21.567 41.453 40.487 1.00 0.00 WT4 H ATOM 49614 H2 TIP3 4101 22.392 42.691 40.767 1.00 0.00 WT4 H ATOM 49615 OH2 TIP3 4104 23.512 68.795 46.406 1.00 0.00 WT4 O ATOM 49616 H1 TIP3 4104 22.669 69.025 46.015 1.00 0.00 WT4 H ATOM 49617 H2 TIP3 4104 24.099 68.680 45.659 1.00 0.00 WT4 H ATOM 49618 OH2 TIP3 4116 34.231 87.535 16.481 1.00 0.00 WT4 O ATOM 49619 H1 TIP3 4116 33.671 86.864 16.090 1.00 0.00 WT4 H ATOM 49620 H2 TIP3 4116 35.112 87.163 16.446 1.00 0.00 WT4 H ATOM 49621 OH2 TIP3 4120 68.257 28.355 4.930 1.00 0.00 WT4 O ATOM 49622 H1 TIP3 4120 69.204 28.324 4.794 1.00 0.00 WT4 H ATOM 49623 H2 TIP3 4120 67.904 28.667 4.097 1.00 0.00 WT4 H ATOM 49624 OH2 TIP3 4121 42.811 89.742 31.521 1.00 0.00 WT4 O ATOM 49625 H1 TIP3 4121 42.764 89.590 32.465 1.00 0.00 WT4 H ATOM 49626 H2 TIP3 4121 41.909 89.930 31.262 1.00 0.00 WT4 H ATOM 49627 OH2 TIP3 4123 75.470 89.976 42.712 1.00 0.00 WT4 O ATOM 49628 H1 TIP3 4123 75.662 90.222 41.807 1.00 0.00 WT4 H ATOM 49629 H2 TIP3 4123 74.514 89.963 42.758 1.00 0.00 WT4 H ATOM 49630 OH2 TIP3 4138 79.388 90.948 58.405 1.00 0.00 WT4 O ATOM 49631 H1 TIP3 4138 79.922 90.202 58.678 1.00 0.00 WT4 H ATOM 49632 H2 TIP3 4138 79.987 91.502 57.904 1.00 0.00 WT4 H ATOM 49633 OH2 TIP3 4139 83.333 82.104 25.465 1.00 0.00 WT4 O ATOM 49634 H1 TIP3 4139 82.403 82.026 25.675 1.00 0.00 WT4 H ATOM 49635 H2 TIP3 4139 83.771 82.125 26.316 1.00 0.00 WT4 H ATOM 49636 OH2 TIP3 4141 47.233 94.044 52.668 1.00 0.00 WT4 O ATOM 49637 H1 TIP3 4141 47.922 94.681 52.483 1.00 0.00 WT4 H ATOM 49638 H2 TIP3 4141 47.036 93.649 51.819 1.00 0.00 WT4 H ATOM 49639 OH2 TIP3 4142 39.634 32.571 46.472 1.00 0.00 WT4 O ATOM 49640 H1 TIP3 4142 39.188 32.782 47.292 1.00 0.00 WT4 H ATOM 49641 H2 TIP3 4142 40.564 32.568 46.697 1.00 0.00 WT4 H ATOM 49642 OH2 TIP3 4143 30.274 71.105 48.323 1.00 0.00 WT4 O ATOM 49643 H1 TIP3 4143 31.094 71.594 48.386 1.00 0.00 WT4 H ATOM 49644 H2 TIP3 4143 29.865 71.426 47.519 1.00 0.00 WT4 H ATOM 49645 OH2 TIP3 4157 78.085 1.665 -11.240 1.00 0.00 WT4 O ATOM 49646 H1 TIP3 4157 77.648 2.371 -11.715 1.00 0.00 WT4 H ATOM 49647 H2 TIP3 4157 77.692 0.864 -11.585 1.00 0.00 WT4 H ATOM 49648 OH2 TIP3 4161 72.029 21.684 48.089 1.00 0.00 WT4 O ATOM 49649 H1 TIP3 4161 71.496 21.165 48.691 1.00 0.00 WT4 H ATOM 49650 H2 TIP3 4161 71.965 22.579 48.424 1.00 0.00 WT4 H ATOM 49651 OH2 TIP3 4165 21.852 68.903 -18.120 1.00 0.00 WT4 O ATOM 49652 H1 TIP3 4165 22.789 68.750 -18.244 1.00 0.00 WT4 H ATOM 49653 H2 TIP3 4165 21.790 69.827 -17.879 1.00 0.00 WT4 H ATOM 49654 OH2 TIP3 4179 74.506 76.032 -10.993 1.00 0.00 WT4 O ATOM 49655 H1 TIP3 4179 74.017 75.710 -10.236 1.00 0.00 WT4 H ATOM 49656 H2 TIP3 4179 74.024 75.698 -11.750 1.00 0.00 WT4 H ATOM 49657 OH2 TIP3 4184 84.012 89.361 65.850 1.00 0.00 WT4 O ATOM 49658 H1 TIP3 4184 83.066 89.233 65.777 1.00 0.00 WT4 H ATOM 49659 H2 TIP3 4184 84.371 88.939 65.069 1.00 0.00 WT4 H ATOM 49660 OH2 TIP3 4186 60.409 35.445 49.798 1.00 0.00 WT4 O ATOM 49661 H1 TIP3 4186 60.204 36.327 49.488 1.00 0.00 WT4 H ATOM 49662 H2 TIP3 4186 59.685 34.905 49.481 1.00 0.00 WT4 H ATOM 49663 OH2 TIP3 4201 20.161 26.334 -9.434 1.00 0.00 WT4 O ATOM 49664 H1 TIP3 4201 21.029 26.400 -9.832 1.00 0.00 WT4 H ATOM 49665 H2 TIP3 4201 19.866 27.240 -9.347 1.00 0.00 WT4 H ATOM 49666 OH2 TIP3 4202 53.221 87.783 44.842 1.00 0.00 WT4 O ATOM 49667 H1 TIP3 4202 52.655 88.058 44.120 1.00 0.00 WT4 H ATOM 49668 H2 TIP3 4202 53.241 88.537 45.432 1.00 0.00 WT4 H ATOM 49669 OH2 TIP3 4243 37.885 7.347 50.661 1.00 0.00 WT4 O ATOM 49670 H1 TIP3 4243 38.830 7.479 50.729 1.00 0.00 WT4 H ATOM 49671 H2 TIP3 4243 37.603 7.166 51.558 1.00 0.00 WT4 H ATOM 49672 OH2 TIP3 4356 47.666 86.984 -8.646 1.00 0.00 WT4 O ATOM 49673 H1 TIP3 4356 47.604 86.158 -8.165 1.00 0.00 WT4 H ATOM 49674 H2 TIP3 4356 47.158 87.605 -8.124 1.00 0.00 WT4 H ATOM 49675 OH2 TIP3 4374 24.801 68.066 38.111 1.00 0.00 WT4 O ATOM 49676 H1 TIP3 4374 24.242 67.807 37.379 1.00 0.00 WT4 H ATOM 49677 H2 TIP3 4374 25.653 68.242 37.713 1.00 0.00 WT4 H ATOM 49678 OH2 TIP3 4394 61.016 34.147 65.625 1.00 0.00 WT4 O ATOM 49679 H1 TIP3 4394 60.264 34.602 66.004 1.00 0.00 WT4 H ATOM 49680 H2 TIP3 4394 61.618 34.847 65.373 1.00 0.00 WT4 H ATOM 49681 OH2 TIP3 4414 29.655 90.928 52.125 1.00 0.00 WT4 O ATOM 49682 H1 TIP3 4414 30.122 91.377 52.830 1.00 0.00 WT4 H ATOM 49683 H2 TIP3 4414 29.961 91.353 51.325 1.00 0.00 WT4 H ATOM 49684 OH2 TIP3 4417 20.789 93.459 43.773 1.00 0.00 WT4 O ATOM 49685 H1 TIP3 4417 20.391 93.199 42.942 1.00 0.00 WT4 H ATOM 49686 H2 TIP3 4417 21.406 94.152 43.536 1.00 0.00 WT4 H ATOM 49687 OH2 TIP3 4419 70.992 44.701 9.242 1.00 0.00 WT4 O ATOM 49688 H1 TIP3 4419 70.656 45.261 9.942 1.00 0.00 WT4 H ATOM 49689 H2 TIP3 4419 70.785 45.174 8.436 1.00 0.00 WT4 H ATOM 49690 OH2 TIP3 4432 90.186 94.364 -11.822 1.00 0.00 WT4 O ATOM 49691 H1 TIP3 4432 90.464 93.832 -12.568 1.00 0.00 WT4 H ATOM 49692 H2 TIP3 4432 90.637 95.199 -11.942 1.00 0.00 WT4 H ATOM 49693 OH2 TIP3 4434 45.028 79.064 48.994 1.00 0.00 WT4 O ATOM 49694 H1 TIP3 4434 44.134 78.907 49.299 1.00 0.00 WT4 H ATOM 49695 H2 TIP3 4434 45.366 79.742 49.581 1.00 0.00 WT4 H ATOM 49696 OH2 TIP3 4437 84.661 75.811 24.681 1.00 0.00 WT4 O ATOM 49697 H1 TIP3 4437 84.496 75.068 24.101 1.00 0.00 WT4 H ATOM 49698 H2 TIP3 4437 83.805 76.019 25.055 1.00 0.00 WT4 H ATOM 49699 OH2 TIP3 4438 42.279 26.623 -10.800 1.00 0.00 WT4 O ATOM 49700 H1 TIP3 4438 43.100 26.570 -10.311 1.00 0.00 WT4 H ATOM 49701 H2 TIP3 4438 42.488 27.167 -11.560 1.00 0.00 WT4 H ATOM 49702 OH2 TIP3 4453 69.229 72.363 -16.437 1.00 0.00 WT4 O ATOM 49703 H1 TIP3 4453 68.848 72.163 -17.292 1.00 0.00 WT4 H ATOM 49704 H2 TIP3 4453 69.757 71.593 -16.224 1.00 0.00 WT4 H ATOM 49705 OH2 TIP3 4455 70.912 76.251 57.121 1.00 0.00 WT4 O ATOM 49706 H1 TIP3 4455 71.743 76.248 56.645 1.00 0.00 WT4 H ATOM 49707 H2 TIP3 4455 70.259 76.012 56.464 1.00 0.00 WT4 H ATOM 49708 OH2 TIP3 4457 69.247 4.498 66.535 1.00 0.00 WT4 O ATOM 49709 H1 TIP3 4457 69.309 4.357 65.590 1.00 0.00 WT4 H ATOM 49710 H2 TIP3 4457 69.119 3.623 66.900 1.00 0.00 WT4 H ATOM 49711 OH2 TIP3 4461 70.147 41.256 67.026 1.00 0.00 WT4 O ATOM 49712 H1 TIP3 4461 69.394 41.838 66.923 1.00 0.00 WT4 H ATOM 49713 H2 TIP3 4461 69.832 40.401 66.733 1.00 0.00 WT4 H ATOM 49714 OH2 TIP3 4473 27.682 87.007 29.466 1.00 0.00 WT4 O ATOM 49715 H1 TIP3 4473 28.473 86.475 29.548 1.00 0.00 WT4 H ATOM 49716 H2 TIP3 4473 28.005 87.902 29.359 1.00 0.00 WT4 H ATOM 49717 OH2 TIP3 4477 26.870 80.277 54.698 1.00 0.00 WT4 O ATOM 49718 H1 TIP3 4477 26.866 80.473 53.761 1.00 0.00 WT4 H ATOM 49719 H2 TIP3 4477 26.058 80.663 55.027 1.00 0.00 WT4 H ATOM 49720 OH2 TIP3 4478 40.867 9.285 57.963 1.00 0.00 WT4 O ATOM 49721 H1 TIP3 4478 41.111 8.545 58.520 1.00 0.00 WT4 H ATOM 49722 H2 TIP3 4478 39.920 9.201 57.855 1.00 0.00 WT4 H ATOM 49723 OH2 TIP3 4479 64.094 75.077 -12.560 1.00 0.00 WT4 O ATOM 49724 H1 TIP3 4479 63.876 74.183 -12.298 1.00 0.00 WT4 H ATOM 49725 H2 TIP3 4479 64.409 74.994 -13.460 1.00 0.00 WT4 H ATOM 49726 OH2 TIP3 4480 49.170 79.654 -1.778 1.00 0.00 WT4 O ATOM 49727 H1 TIP3 4480 49.743 79.112 -2.320 1.00 0.00 WT4 H ATOM 49728 H2 TIP3 4480 49.201 79.245 -0.913 1.00 0.00 WT4 H ATOM 49729 OH2 TIP3 4496 57.861 78.362 5.232 1.00 0.00 WT4 O ATOM 49730 H1 TIP3 4496 58.075 77.444 5.402 1.00 0.00 WT4 H ATOM 49731 H2 TIP3 4496 57.656 78.724 6.094 1.00 0.00 WT4 H ATOM 49732 OH2 TIP3 4499 31.968 58.034 13.380 1.00 0.00 WT4 O ATOM 49733 H1 TIP3 4499 31.963 58.419 14.257 1.00 0.00 WT4 H ATOM 49734 H2 TIP3 4499 32.017 57.091 13.533 1.00 0.00 WT4 H ATOM 49735 OH2 TIP3 4500 46.862 5.427 23.714 1.00 0.00 WT4 O ATOM 49736 H1 TIP3 4500 46.146 5.686 24.295 1.00 0.00 WT4 H ATOM 49737 H2 TIP3 4500 46.425 5.095 22.929 1.00 0.00 WT4 H ATOM 49738 OH2 TIP3 4501 75.411 25.431 -1.240 1.00 0.00 WT4 O ATOM 49739 H1 TIP3 4501 75.674 26.337 -1.078 1.00 0.00 WT4 H ATOM 49740 H2 TIP3 4501 76.094 25.082 -1.814 1.00 0.00 WT4 H ATOM 49741 OH2 TIP3 4513 30.817 60.426 -1.283 1.00 0.00 WT4 O ATOM 49742 H1 TIP3 4513 31.520 59.985 -1.760 1.00 0.00 WT4 H ATOM 49743 H2 TIP3 4513 31.116 60.441 -0.374 1.00 0.00 WT4 H ATOM 49744 OH2 TIP3 4515 26.550 24.319 17.366 1.00 0.00 WT4 O ATOM 49745 H1 TIP3 4515 25.907 24.459 18.062 1.00 0.00 WT4 H ATOM 49746 H2 TIP3 4515 26.507 25.115 16.836 1.00 0.00 WT4 H ATOM 49747 OH2 TIP3 4516 49.189 31.242 64.520 1.00 0.00 WT4 O ATOM 49748 H1 TIP3 4516 49.096 31.430 63.586 1.00 0.00 WT4 H ATOM 49749 H2 TIP3 4516 50.105 31.439 64.714 1.00 0.00 WT4 H ATOM 49750 OH2 TIP3 4517 55.849 58.166 -7.402 1.00 0.00 WT4 O ATOM 49751 H1 TIP3 4517 56.099 57.245 -7.464 1.00 0.00 WT4 H ATOM 49752 H2 TIP3 4517 55.095 58.171 -6.812 1.00 0.00 WT4 H ATOM 49753 OH2 TIP3 4518 37.726 79.382 61.780 1.00 0.00 WT4 O ATOM 49754 H1 TIP3 4518 37.930 78.447 61.748 1.00 0.00 WT4 H ATOM 49755 H2 TIP3 4518 37.796 79.674 60.871 1.00 0.00 WT4 H ATOM 49756 OH2 TIP3 4519 38.245 93.760 9.936 1.00 0.00 WT4 O ATOM 49757 H1 TIP3 4519 38.933 94.377 9.686 1.00 0.00 WT4 H ATOM 49758 H2 TIP3 4519 37.535 93.927 9.317 1.00 0.00 WT4 H ATOM 49759 OH2 TIP3 4523 55.319 2.276 21.027 1.00 0.00 WT4 O ATOM 49760 H1 TIP3 4523 55.900 2.989 21.291 1.00 0.00 WT4 H ATOM 49761 H2 TIP3 4523 55.303 2.321 20.071 1.00 0.00 WT4 H ATOM 49762 OH2 TIP3 4524 22.831 69.470 65.184 1.00 0.00 WT4 O ATOM 49763 H1 TIP3 4524 22.169 69.747 65.818 1.00 0.00 WT4 H ATOM 49764 H2 TIP3 4524 23.590 70.021 65.375 1.00 0.00 WT4 H ATOM 49765 OH2 TIP3 4536 38.396 40.240 29.508 1.00 0.00 WT4 O ATOM 49766 H1 TIP3 4536 38.897 40.734 30.157 1.00 0.00 WT4 H ATOM 49767 H2 TIP3 4536 39.048 39.700 29.061 1.00 0.00 WT4 H ATOM 49768 OH2 TIP3 4537 56.075 93.495 49.721 1.00 0.00 WT4 O ATOM 49769 H1 TIP3 4537 55.653 92.700 49.396 1.00 0.00 WT4 H ATOM 49770 H2 TIP3 4537 56.771 93.673 49.089 1.00 0.00 WT4 H ATOM 49771 OH2 TIP3 4538 26.291 74.277 50.330 1.00 0.00 WT4 O ATOM 49772 H1 TIP3 4538 25.511 74.801 50.147 1.00 0.00 WT4 H ATOM 49773 H2 TIP3 4538 26.121 73.437 49.904 1.00 0.00 WT4 H ATOM 49774 OH2 TIP3 4542 29.662 91.441 -12.464 1.00 0.00 WT4 O ATOM 49775 H1 TIP3 4542 30.616 91.363 -12.438 1.00 0.00 WT4 H ATOM 49776 H2 TIP3 4542 29.458 92.103 -11.803 1.00 0.00 WT4 H ATOM 49777 OH2 TIP3 4544 39.285 48.532 28.476 1.00 0.00 WT4 O ATOM 49778 H1 TIP3 4544 38.897 48.167 27.682 1.00 0.00 WT4 H ATOM 49779 H2 TIP3 4544 39.805 47.816 28.841 1.00 0.00 WT4 H ATOM 49780 OH2 TIP3 4553 77.058 74.573 -9.642 1.00 0.00 WT4 O ATOM 49781 H1 TIP3 4553 76.565 75.353 -9.898 1.00 0.00 WT4 H ATOM 49782 H2 TIP3 4553 77.873 74.631 -10.142 1.00 0.00 WT4 H ATOM 49783 OH2 TIP3 4558 34.428 83.252 33.658 1.00 0.00 WT4 O ATOM 49784 H1 TIP3 4558 34.979 83.166 34.436 1.00 0.00 WT4 H ATOM 49785 H2 TIP3 4558 33.575 83.521 33.998 1.00 0.00 WT4 H ATOM 49786 OH2 TIP3 4559 90.268 83.115 42.360 1.00 0.00 WT4 O ATOM 49787 H1 TIP3 4559 90.706 83.227 43.204 1.00 0.00 WT4 H ATOM 49788 H2 TIP3 4559 89.565 83.764 42.366 1.00 0.00 WT4 H ATOM 49789 OH2 TIP3 4560 56.064 81.762 17.764 1.00 0.00 WT4 O ATOM 49790 H1 TIP3 4560 55.770 82.384 17.099 1.00 0.00 WT4 H ATOM 49791 H2 TIP3 4560 55.661 82.070 18.576 1.00 0.00 WT4 H ATOM 49792 OH2 TIP3 4561 36.305 10.492 51.139 1.00 0.00 WT4 O ATOM 49793 H1 TIP3 4561 37.094 10.036 51.429 1.00 0.00 WT4 H ATOM 49794 H2 TIP3 4561 36.580 11.403 51.029 1.00 0.00 WT4 H ATOM 49795 OH2 TIP3 4562 40.696 58.738 42.177 1.00 0.00 WT4 O ATOM 49796 H1 TIP3 4562 40.297 59.580 41.959 1.00 0.00 WT4 H ATOM 49797 H2 TIP3 4562 41.238 58.525 41.417 1.00 0.00 WT4 H ATOM 49798 OH2 TIP3 4569 31.242 6.983 53.096 1.00 0.00 WT4 O ATOM 49799 H1 TIP3 4569 31.889 6.277 53.095 1.00 0.00 WT4 H ATOM 49800 H2 TIP3 4569 31.182 7.256 52.181 1.00 0.00 WT4 H ATOM 49801 OH2 TIP3 4578 89.078 51.021 35.694 1.00 0.00 WT4 O ATOM 49802 H1 TIP3 4578 89.035 51.969 35.568 1.00 0.00 WT4 H ATOM 49803 H2 TIP3 4578 88.253 50.693 35.338 1.00 0.00 WT4 H ATOM 49804 OH2 TIP3 4581 51.933 61.197 63.164 1.00 0.00 WT4 O ATOM 49805 H1 TIP3 4581 51.445 61.872 62.693 1.00 0.00 WT4 H ATOM 49806 H2 TIP3 4581 51.472 60.383 62.964 1.00 0.00 WT4 H ATOM 49807 OH2 TIP3 4582 29.618 85.293 52.532 1.00 0.00 WT4 O ATOM 49808 H1 TIP3 4582 29.444 86.185 52.232 1.00 0.00 WT4 H ATOM 49809 H2 TIP3 4582 28.764 84.962 52.811 1.00 0.00 WT4 H ATOM 49810 OH2 TIP3 4586 51.900 58.632 0.797 1.00 0.00 WT4 O ATOM 49811 H1 TIP3 4586 51.750 58.402 1.714 1.00 0.00 WT4 H ATOM 49812 H2 TIP3 4586 52.826 58.872 0.758 1.00 0.00 WT4 H ATOM 49813 OH2 TIP3 4599 33.876 46.163 30.170 1.00 0.00 WT4 O ATOM 49814 H1 TIP3 4599 33.790 46.105 29.219 1.00 0.00 WT4 H ATOM 49815 H2 TIP3 4599 34.789 45.931 30.343 1.00 0.00 WT4 H ATOM 49816 OH2 TIP3 4600 54.966 90.942 9.337 1.00 0.00 WT4 O ATOM 49817 H1 TIP3 4600 55.360 91.345 8.563 1.00 0.00 WT4 H ATOM 49818 H2 TIP3 4600 54.409 90.246 8.987 1.00 0.00 WT4 H ATOM 49819 OH2 TIP3 4624 83.738 2.953 -6.459 1.00 0.00 WT4 O ATOM 49820 H1 TIP3 4624 83.607 3.813 -6.059 1.00 0.00 WT4 H ATOM 49821 H2 TIP3 4624 83.601 3.100 -7.395 1.00 0.00 WT4 H ATOM 49822 OH2 TIP3 4625 46.240 40.664 28.776 1.00 0.00 WT4 O ATOM 49823 H1 TIP3 4625 46.719 40.602 27.949 1.00 0.00 WT4 H ATOM 49824 H2 TIP3 4625 45.435 40.169 28.625 1.00 0.00 WT4 H ATOM 49825 OH2 TIP3 4628 53.693 69.913 33.031 1.00 0.00 WT4 O ATOM 49826 H1 TIP3 4628 53.453 70.678 33.554 1.00 0.00 WT4 H ATOM 49827 H2 TIP3 4628 54.569 69.678 33.337 1.00 0.00 WT4 H ATOM 49828 OH2 TIP3 4644 54.412 2.615 3.257 1.00 0.00 WT4 O ATOM 49829 H1 TIP3 4644 54.826 3.247 3.845 1.00 0.00 WT4 H ATOM 49830 H2 TIP3 4644 54.049 3.147 2.549 1.00 0.00 WT4 H ATOM 49831 OH2 TIP3 4663 90.631 93.253 22.492 1.00 0.00 WT4 O ATOM 49832 H1 TIP3 4663 89.909 93.764 22.127 1.00 0.00 WT4 H ATOM 49833 H2 TIP3 4663 90.219 92.453 22.817 1.00 0.00 WT4 H ATOM 49834 OH2 TIP3 4725 76.283 87.907 54.565 1.00 0.00 WT4 O ATOM 49835 H1 TIP3 4725 77.068 87.399 54.361 1.00 0.00 WT4 H ATOM 49836 H2 TIP3 4725 75.572 87.437 54.130 1.00 0.00 WT4 H ATOM 49837 OH2 TIP3 4808 84.652 94.212 59.846 1.00 0.00 WT4 O ATOM 49838 H1 TIP3 4808 84.779 95.071 60.248 1.00 0.00 WT4 H ATOM 49839 H2 TIP3 4808 85.053 93.597 60.461 1.00 0.00 WT4 H ATOM 49840 OH2 TIP3 4834 70.648 58.181 57.153 1.00 0.00 WT4 O ATOM 49841 H1 TIP3 4834 71.553 58.379 57.394 1.00 0.00 WT4 H ATOM 49842 H2 TIP3 4834 70.282 59.023 56.883 1.00 0.00 WT4 H ATOM 49843 OH2 TIP3 4836 56.959 77.721 36.010 1.00 0.00 WT4 O ATOM 49844 H1 TIP3 4836 56.978 76.832 36.365 1.00 0.00 WT4 H ATOM 49845 H2 TIP3 4836 56.336 77.676 35.284 1.00 0.00 WT4 H ATOM 49846 OH2 TIP3 4849 34.176 35.987 56.338 1.00 0.00 WT4 O ATOM 49847 H1 TIP3 4849 33.930 35.341 55.676 1.00 0.00 WT4 H ATOM 49848 H2 TIP3 4849 35.133 35.980 56.337 1.00 0.00 WT4 H ATOM 49849 OH2 TIP3 4851 79.293 76.972 28.764 1.00 0.00 WT4 O ATOM 49850 H1 TIP3 4851 78.747 77.072 29.543 1.00 0.00 WT4 H ATOM 49851 H2 TIP3 4851 78.921 76.219 28.305 1.00 0.00 WT4 H ATOM 49852 OH2 TIP3 4855 44.403 87.798 6.305 1.00 0.00 WT4 O ATOM 49853 H1 TIP3 4855 44.519 86.995 6.813 1.00 0.00 WT4 H ATOM 49854 H2 TIP3 4855 45.158 87.821 5.717 1.00 0.00 WT4 H ATOM 49855 OH2 TIP3 4857 63.964 44.038 -3.244 1.00 0.00 WT4 O ATOM 49856 H1 TIP3 4857 64.234 44.842 -3.689 1.00 0.00 WT4 H ATOM 49857 H2 TIP3 4857 63.686 44.328 -2.375 1.00 0.00 WT4 H ATOM 49858 OH2 TIP3 4863 57.333 43.855 64.700 1.00 0.00 WT4 O ATOM 49859 H1 TIP3 4863 57.677 44.563 65.244 1.00 0.00 WT4 H ATOM 49860 H2 TIP3 4863 56.561 43.543 65.172 1.00 0.00 WT4 H ATOM 49861 OH2 TIP3 4872 68.743 31.354 30.162 1.00 0.00 WT4 O ATOM 49862 H1 TIP3 4872 69.158 30.950 30.924 1.00 0.00 WT4 H ATOM 49863 H2 TIP3 4872 68.139 30.686 29.836 1.00 0.00 WT4 H ATOM 49864 OH2 TIP3 4875 24.699 52.852 62.083 1.00 0.00 WT4 O ATOM 49865 H1 TIP3 4875 24.416 52.839 62.997 1.00 0.00 WT4 H ATOM 49866 H2 TIP3 4875 24.815 51.930 61.854 1.00 0.00 WT4 H ATOM 49867 OH2 TIP3 4877 24.792 59.229 -3.982 1.00 0.00 WT4 O ATOM 49868 H1 TIP3 4877 25.352 58.567 -4.386 1.00 0.00 WT4 H ATOM 49869 H2 TIP3 4877 25.249 59.471 -3.176 1.00 0.00 WT4 H ATOM 49870 OH2 TIP3 4893 58.508 29.197 61.694 1.00 0.00 WT4 O ATOM 49871 H1 TIP3 4893 59.256 28.947 62.236 1.00 0.00 WT4 H ATOM 49872 H2 TIP3 4893 58.111 28.366 61.434 1.00 0.00 WT4 H ATOM 49873 OH2 TIP3 4896 31.233 86.376 -11.973 1.00 0.00 WT4 O ATOM 49874 H1 TIP3 4896 31.088 86.213 -12.904 1.00 0.00 WT4 H ATOM 49875 H2 TIP3 4896 31.714 87.204 -11.946 1.00 0.00 WT4 H ATOM 49876 OH2 TIP3 4897 66.160 49.803 65.154 1.00 0.00 WT4 O ATOM 49877 H1 TIP3 4897 65.726 50.083 64.348 1.00 0.00 WT4 H ATOM 49878 H2 TIP3 4897 65.799 50.373 65.832 1.00 0.00 WT4 H ATOM 49879 OH2 TIP3 4898 72.642 87.216 64.044 1.00 0.00 WT4 O ATOM 49880 H1 TIP3 4898 72.360 87.702 64.818 1.00 0.00 WT4 H ATOM 49881 H2 TIP3 4898 73.510 86.883 64.273 1.00 0.00 WT4 H ATOM 49882 OH2 TIP3 4899 29.369 70.409 38.003 1.00 0.00 WT4 O ATOM 49883 H1 TIP3 4899 29.404 71.324 38.281 1.00 0.00 WT4 H ATOM 49884 H2 TIP3 4899 30.038 70.339 37.322 1.00 0.00 WT4 H ATOM 49885 OH2 TIP3 4914 54.702 76.563 46.623 1.00 0.00 WT4 O ATOM 49886 H1 TIP3 4914 54.069 76.548 45.905 1.00 0.00 WT4 H ATOM 49887 H2 TIP3 4914 54.467 75.811 47.166 1.00 0.00 WT4 H ATOM 49888 OH2 TIP3 4915 49.085 31.866 46.285 1.00 0.00 WT4 O ATOM 49889 H1 TIP3 4915 48.219 31.978 46.676 1.00 0.00 WT4 H ATOM 49890 H2 TIP3 4915 49.023 32.303 45.436 1.00 0.00 WT4 H ATOM 49891 OH2 TIP3 4916 23.703 69.938 56.218 1.00 0.00 WT4 O ATOM 49892 H1 TIP3 4916 24.597 69.797 56.530 1.00 0.00 WT4 H ATOM 49893 H2 TIP3 4916 23.806 70.199 55.303 1.00 0.00 WT4 H ATOM 49894 OH2 TIP3 4919 81.923 49.399 1.185 1.00 0.00 WT4 O ATOM 49895 H1 TIP3 4919 82.091 49.721 2.071 1.00 0.00 WT4 H ATOM 49896 H2 TIP3 4919 80.975 49.276 1.150 1.00 0.00 WT4 H ATOM 49897 OH2 TIP3 4922 85.203 89.667 62.430 1.00 0.00 WT4 O ATOM 49898 H1 TIP3 4922 85.133 88.899 62.998 1.00 0.00 WT4 H ATOM 49899 H2 TIP3 4922 84.321 89.786 62.078 1.00 0.00 WT4 H ATOM 49900 OH2 TIP3 4924 42.304 44.808 61.290 1.00 0.00 WT4 O ATOM 49901 H1 TIP3 4924 42.923 45.381 60.836 1.00 0.00 WT4 H ATOM 49902 H2 TIP3 4924 42.524 44.903 62.216 1.00 0.00 WT4 H ATOM 49903 OH2 TIP3 4934 76.713 95.509 -11.929 1.00 0.00 WT4 O ATOM 49904 H1 TIP3 4934 76.488 94.651 -12.291 1.00 0.00 WT4 H ATOM 49905 H2 TIP3 4934 77.642 95.439 -11.708 1.00 0.00 WT4 H ATOM 49906 OH2 TIP3 4935 30.795 94.582 47.136 1.00 0.00 WT4 O ATOM 49907 H1 TIP3 4935 31.564 94.135 46.783 1.00 0.00 WT4 H ATOM 49908 H2 TIP3 4935 31.151 95.226 47.749 1.00 0.00 WT4 H ATOM 49909 OH2 TIP3 4936 39.885 7.621 -12.701 1.00 0.00 WT4 O ATOM 49910 H1 TIP3 4936 39.311 7.762 -13.455 1.00 0.00 WT4 H ATOM 49911 H2 TIP3 4936 40.133 8.502 -12.421 1.00 0.00 WT4 H ATOM 49912 OH2 TIP3 4939 64.013 75.394 0.716 1.00 0.00 WT4 O ATOM 49913 H1 TIP3 4939 63.356 74.756 0.995 1.00 0.00 WT4 H ATOM 49914 H2 TIP3 4939 63.678 76.235 1.027 1.00 0.00 WT4 H ATOM 49915 OH2 TIP3 4942 57.875 95.034 61.600 1.00 0.00 WT4 O ATOM 49916 H1 TIP3 4942 57.449 94.442 60.980 1.00 0.00 WT4 H ATOM 49917 H2 TIP3 4942 57.679 94.662 62.460 1.00 0.00 WT4 H ATOM 49918 OH2 TIP3 4956 20.818 90.723 27.938 1.00 0.00 WT4 O ATOM 49919 H1 TIP3 4956 20.448 90.613 28.814 1.00 0.00 WT4 H ATOM 49920 H2 TIP3 4956 20.172 91.252 27.470 1.00 0.00 WT4 H ATOM 49921 OH2 TIP3 4957 22.187 78.087 16.625 1.00 0.00 WT4 O ATOM 49922 H1 TIP3 4957 21.753 78.859 16.989 1.00 0.00 WT4 H ATOM 49923 H2 TIP3 4957 21.791 77.349 17.088 1.00 0.00 WT4 H ATOM 49924 OH2 TIP3 4962 50.406 91.178 47.562 1.00 0.00 WT4 O ATOM 49925 H1 TIP3 4962 50.508 90.248 47.359 1.00 0.00 WT4 H ATOM 49926 H2 TIP3 4962 50.833 91.630 46.835 1.00 0.00 WT4 H ATOM 49927 OH2 TIP3 4963 43.470 50.038 4.523 1.00 0.00 WT4 O ATOM 49928 H1 TIP3 4963 43.148 50.182 5.413 1.00 0.00 WT4 H ATOM 49929 H2 TIP3 4963 44.376 49.751 4.640 1.00 0.00 WT4 H ATOM 49930 OH2 TIP3 4965 58.137 74.945 51.127 1.00 0.00 WT4 O ATOM 49931 H1 TIP3 4965 57.923 74.155 50.630 1.00 0.00 WT4 H ATOM 49932 H2 TIP3 4965 57.318 75.186 51.560 1.00 0.00 WT4 H ATOM 49933 OH2 TIP3 4978 89.905 84.053 53.730 1.00 0.00 WT4 O ATOM 49934 H1 TIP3 4978 90.223 84.768 53.178 1.00 0.00 WT4 H ATOM 49935 H2 TIP3 4978 89.813 83.311 53.132 1.00 0.00 WT4 H ATOM 49936 OH2 TIP3 4980 74.982 53.002 24.300 1.00 0.00 WT4 O ATOM 49937 H1 TIP3 4980 74.242 52.583 23.860 1.00 0.00 WT4 H ATOM 49938 H2 TIP3 4980 75.554 53.287 23.587 1.00 0.00 WT4 H ATOM 49939 OH2 TIP3 4981 71.651 68.897 51.839 1.00 0.00 WT4 O ATOM 49940 H1 TIP3 4981 71.289 69.623 52.347 1.00 0.00 WT4 H ATOM 49941 H2 TIP3 4981 70.933 68.622 51.269 1.00 0.00 WT4 H ATOM 49942 OH2 TIP3 4982 69.683 9.547 52.567 1.00 0.00 WT4 O ATOM 49943 H1 TIP3 4982 70.336 10.003 53.098 1.00 0.00 WT4 H ATOM 49944 H2 TIP3 4982 68.894 10.082 52.646 1.00 0.00 WT4 H ATOM 49945 OH2 TIP3 4983 54.956 83.394 19.768 1.00 0.00 WT4 O ATOM 49946 H1 TIP3 4983 54.611 84.251 19.517 1.00 0.00 WT4 H ATOM 49947 H2 TIP3 4983 54.992 83.420 20.724 1.00 0.00 WT4 H ATOM 49948 OH2 TIP3 4985 55.576 24.987 52.588 1.00 0.00 WT4 O ATOM 49949 H1 TIP3 4985 54.678 24.672 52.487 1.00 0.00 WT4 H ATOM 49950 H2 TIP3 4985 55.582 25.838 52.149 1.00 0.00 WT4 H ATOM 49951 OH2 TIP3 4996 66.474 76.631 56.233 1.00 0.00 WT4 O ATOM 49952 H1 TIP3 4996 66.527 77.543 55.947 1.00 0.00 WT4 H ATOM 49953 H2 TIP3 4996 66.110 76.678 57.117 1.00 0.00 WT4 H ATOM 49954 OH2 TIP3 4998 40.288 0.661 55.935 1.00 0.00 WT4 O ATOM 49955 H1 TIP3 4998 41.239 0.613 55.840 1.00 0.00 WT4 H ATOM 49956 H2 TIP3 4998 39.955 0.617 55.038 1.00 0.00 WT4 H ATOM 49957 OH2 TIP3 4999 77.594 68.134 -7.089 1.00 0.00 WT4 O ATOM 49958 H1 TIP3 4999 77.467 68.165 -6.140 1.00 0.00 WT4 H ATOM 49959 H2 TIP3 4999 77.728 69.046 -7.343 1.00 0.00 WT4 H ATOM 49960 OH2 TIP3 5000 86.022 74.305 -10.780 1.00 0.00 WT4 O ATOM 49961 H1 TIP3 5000 86.396 75.112 -10.427 1.00 0.00 WT4 H ATOM 49962 H2 TIP3 5000 85.908 73.739 -10.017 1.00 0.00 WT4 H ATOM 49963 OH2 TIP3 5001 22.714 37.498 60.897 1.00 0.00 WT4 O ATOM 49964 H1 TIP3 5001 23.305 38.049 60.385 1.00 0.00 WT4 H ATOM 49965 H2 TIP3 5001 21.862 37.928 60.825 1.00 0.00 WT4 H ATOM 49966 OH2 TIP3 5002 20.332 75.909 53.456 1.00 0.00 WT4 O ATOM 49967 H1 TIP3 5002 20.991 76.601 53.415 1.00 0.00 WT4 H ATOM 49968 H2 TIP3 5002 20.683 75.211 52.902 1.00 0.00 WT4 H ATOM 49969 OH2 TIP3 5004 79.625 73.074 -12.003 1.00 0.00 WT4 O ATOM 49970 H1 TIP3 5004 79.822 72.906 -12.925 1.00 0.00 WT4 H ATOM 49971 H2 TIP3 5004 80.467 72.982 -11.558 1.00 0.00 WT4 H ATOM 49972 OH2 TIP3 5005 35.221 10.335 -13.186 1.00 0.00 WT4 O ATOM 49973 H1 TIP3 5005 35.910 10.935 -13.471 1.00 0.00 WT4 H ATOM 49974 H2 TIP3 5005 35.596 9.463 -13.309 1.00 0.00 WT4 H ATOM 49975 OH2 TIP3 5019 23.843 73.391 36.171 1.00 0.00 WT4 O ATOM 49976 H1 TIP3 5019 23.727 73.104 35.265 1.00 0.00 WT4 H ATOM 49977 H2 TIP3 5019 24.335 72.682 36.586 1.00 0.00 WT4 H ATOM 49978 OH2 TIP3 5021 53.277 91.482 40.172 1.00 0.00 WT4 O ATOM 49979 H1 TIP3 5021 53.306 92.021 40.963 1.00 0.00 WT4 H ATOM 49980 H2 TIP3 5021 53.932 91.870 39.592 1.00 0.00 WT4 H ATOM 49981 OH2 TIP3 5023 32.666 10.693 6.451 1.00 0.00 WT4 O ATOM 49982 H1 TIP3 5023 33.017 10.880 5.581 1.00 0.00 WT4 H ATOM 49983 H2 TIP3 5023 33.403 10.313 6.931 1.00 0.00 WT4 H ATOM 49984 OH2 TIP3 5025 22.370 56.911 -5.808 1.00 0.00 WT4 O ATOM 49985 H1 TIP3 5025 22.675 57.818 -5.789 1.00 0.00 WT4 H ATOM 49986 H2 TIP3 5025 22.290 56.666 -4.886 1.00 0.00 WT4 H ATOM 49987 OH2 TIP3 5043 61.326 19.464 -14.628 1.00 0.00 WT4 O ATOM 49988 H1 TIP3 5043 61.106 20.103 -13.950 1.00 0.00 WT4 H ATOM 49989 H2 TIP3 5043 62.267 19.322 -14.527 1.00 0.00 WT4 H ATOM 49990 OH2 TIP3 5044 52.117 78.575 60.733 1.00 0.00 WT4 O ATOM 49991 H1 TIP3 5044 51.786 79.179 61.397 1.00 0.00 WT4 H ATOM 49992 H2 TIP3 5044 52.372 77.794 61.224 1.00 0.00 WT4 H ATOM 49993 OH2 TIP3 5049 62.808 50.174 46.930 1.00 0.00 WT4 O ATOM 49994 H1 TIP3 5049 63.415 49.645 46.412 1.00 0.00 WT4 H ATOM 49995 H2 TIP3 5049 62.557 50.890 46.347 1.00 0.00 WT4 H ATOM 49996 OH2 TIP3 5060 41.380 60.552 0.693 1.00 0.00 WT4 O ATOM 49997 H1 TIP3 5060 42.053 59.986 1.072 1.00 0.00 WT4 H ATOM 49998 H2 TIP3 5060 40.586 60.018 0.702 1.00 0.00 WT4 H ATOM 49999 OH2 TIP3 5061 46.466 84.467 45.311 1.00 0.00 WT4 O ATOM 50000 H1 TIP3 5061 46.926 85.225 45.672 1.00 0.00 WT4 H ATOM 50001 H2 TIP3 5061 45.594 84.796 45.094 1.00 0.00 WT4 H ATOM 50002 OH2 TIP3 5063 39.174 88.238 32.493 1.00 0.00 WT4 O ATOM 50003 H1 TIP3 5063 38.557 88.959 32.370 1.00 0.00 WT4 H ATOM 50004 H2 TIP3 5063 38.853 87.546 31.913 1.00 0.00 WT4 H ATOM 50005 OH2 TIP3 5085 60.096 7.854 33.799 1.00 0.00 WT4 O ATOM 50006 H1 TIP3 5085 60.254 7.855 34.743 1.00 0.00 WT4 H ATOM 50007 H2 TIP3 5085 60.274 6.954 33.527 1.00 0.00 WT4 H ATOM 50008 OH2 TIP3 5088 79.291 92.062 42.273 1.00 0.00 WT4 O ATOM 50009 H1 TIP3 5088 79.498 92.850 41.771 1.00 0.00 WT4 H ATOM 50010 H2 TIP3 5088 78.346 91.952 42.169 1.00 0.00 WT4 H ATOM 50011 OH2 TIP3 5133 86.838 17.425 -1.005 1.00 0.00 WT4 O ATOM 50012 H1 TIP3 5133 87.678 17.469 -0.547 1.00 0.00 WT4 H ATOM 50013 H2 TIP3 5133 86.310 16.822 -0.482 1.00 0.00 WT4 H ATOM 50014 OH2 TIP3 5134 34.182 5.565 62.889 1.00 0.00 WT4 O ATOM 50015 H1 TIP3 5134 34.593 5.236 63.688 1.00 0.00 WT4 H ATOM 50016 H2 TIP3 5134 33.332 5.898 63.176 1.00 0.00 WT4 H ATOM 50017 OH2 TIP3 5164 25.213 51.451 50.193 1.00 0.00 WT4 O ATOM 50018 H1 TIP3 5164 24.816 50.581 50.231 1.00 0.00 WT4 H ATOM 50019 H2 TIP3 5164 24.756 51.953 50.867 1.00 0.00 WT4 H ATOM 50020 OH2 TIP3 5166 47.119 61.130 -0.896 1.00 0.00 WT4 O ATOM 50021 H1 TIP3 5166 46.721 61.275 -0.038 1.00 0.00 WT4 H ATOM 50022 H2 TIP3 5166 48.051 61.012 -0.712 1.00 0.00 WT4 H ATOM 50023 OH2 TIP3 5193 42.621 27.858 23.948 1.00 0.00 WT4 O ATOM 50024 H1 TIP3 5193 43.430 27.359 23.841 1.00 0.00 WT4 H ATOM 50025 H2 TIP3 5193 42.022 27.254 24.387 1.00 0.00 WT4 H ATOM 50026 OH2 TIP3 5234 64.839 29.519 -17.220 1.00 0.00 WT4 O ATOM 50027 H1 TIP3 5234 64.616 28.850 -16.573 1.00 0.00 WT4 H ATOM 50028 H2 TIP3 5234 64.038 30.033 -17.319 1.00 0.00 WT4 H ATOM 50029 OH2 TIP3 5251 59.580 34.958 -14.066 1.00 0.00 WT4 O ATOM 50030 H1 TIP3 5251 59.248 34.506 -13.291 1.00 0.00 WT4 H ATOM 50031 H2 TIP3 5251 60.129 35.661 -13.718 1.00 0.00 WT4 H ATOM 50032 OH2 TIP3 5259 52.632 62.422 44.896 1.00 0.00 WT4 O ATOM 50033 H1 TIP3 5259 53.296 61.740 44.797 1.00 0.00 WT4 H ATOM 50034 H2 TIP3 5259 51.863 62.076 44.441 1.00 0.00 WT4 H ATOM 50035 OH2 TIP3 5260 50.157 89.535 7.626 1.00 0.00 WT4 O ATOM 50036 H1 TIP3 5260 50.994 89.434 8.079 1.00 0.00 WT4 H ATOM 50037 H2 TIP3 5260 49.498 89.370 8.301 1.00 0.00 WT4 H ATOM 50038 OH2 TIP3 5271 70.531 77.146 27.590 1.00 0.00 WT4 O ATOM 50039 H1 TIP3 5271 69.670 76.771 27.408 1.00 0.00 WT4 H ATOM 50040 H2 TIP3 5271 70.344 78.002 27.977 1.00 0.00 WT4 H ATOM 50041 OH2 TIP3 5272 32.490 71.912 -5.338 1.00 0.00 WT4 O ATOM 50042 H1 TIP3 5272 32.822 71.354 -6.042 1.00 0.00 WT4 H ATOM 50043 H2 TIP3 5272 32.087 71.304 -4.719 1.00 0.00 WT4 H ATOM 50044 OH2 TIP3 5296 27.303 8.345 64.008 1.00 0.00 WT4 O ATOM 50045 H1 TIP3 5296 27.515 7.834 63.227 1.00 0.00 WT4 H ATOM 50046 H2 TIP3 5296 28.017 8.977 64.082 1.00 0.00 WT4 H ATOM 50047 OH2 TIP3 5304 35.794 49.755 -8.440 1.00 0.00 WT4 O ATOM 50048 H1 TIP3 5304 36.115 49.181 -9.136 1.00 0.00 WT4 H ATOM 50049 H2 TIP3 5304 36.520 50.353 -8.268 1.00 0.00 WT4 H ATOM 50050 OH2 TIP3 5317 72.667 75.784 29.269 1.00 0.00 WT4 O ATOM 50051 H1 TIP3 5317 72.063 76.223 28.669 1.00 0.00 WT4 H ATOM 50052 H2 TIP3 5317 72.219 75.801 30.115 1.00 0.00 WT4 H ATOM 50053 OH2 TIP3 5318 79.014 71.334 58.384 1.00 0.00 WT4 O ATOM 50054 H1 TIP3 5318 79.088 72.247 58.108 1.00 0.00 WT4 H ATOM 50055 H2 TIP3 5318 79.534 70.847 57.744 1.00 0.00 WT4 H ATOM 50056 OH2 TIP3 5319 63.017 67.204 58.568 1.00 0.00 WT4 O ATOM 50057 H1 TIP3 5319 63.006 67.442 57.641 1.00 0.00 WT4 H ATOM 50058 H2 TIP3 5319 62.671 66.312 58.592 1.00 0.00 WT4 H ATOM 50059 OH2 TIP3 5320 77.775 81.009 43.670 1.00 0.00 WT4 O ATOM 50060 H1 TIP3 5320 77.261 80.217 43.828 1.00 0.00 WT4 H ATOM 50061 H2 TIP3 5320 78.683 80.709 43.666 1.00 0.00 WT4 H ATOM 50062 OH2 TIP3 5332 56.068 49.242 43.065 1.00 0.00 WT4 O ATOM 50063 H1 TIP3 5332 56.832 48.665 43.048 1.00 0.00 WT4 H ATOM 50064 H2 TIP3 5332 55.403 48.775 42.560 1.00 0.00 WT4 H ATOM 50065 OH2 TIP3 5341 55.772 92.565 42.062 1.00 0.00 WT4 O ATOM 50066 H1 TIP3 5341 54.920 92.130 42.051 1.00 0.00 WT4 H ATOM 50067 H2 TIP3 5341 55.945 92.777 41.145 1.00 0.00 WT4 H ATOM 50068 OH2 TIP3 5357 67.976 81.042 -12.901 1.00 0.00 WT4 O ATOM 50069 H1 TIP3 5357 67.354 80.447 -13.322 1.00 0.00 WT4 H ATOM 50070 H2 TIP3 5357 68.416 80.503 -12.244 1.00 0.00 WT4 H ATOM 50071 OH2 TIP3 5358 29.689 68.376 -19.519 1.00 0.00 WT4 O ATOM 50072 H1 TIP3 5358 29.781 69.308 -19.717 1.00 0.00 WT4 H ATOM 50073 H2 TIP3 5358 29.377 67.986 -20.336 1.00 0.00 WT4 H ATOM 50074 OH2 TIP3 5359 30.974 70.657 16.186 1.00 0.00 WT4 O ATOM 50075 H1 TIP3 5359 31.188 70.694 17.118 1.00 0.00 WT4 H ATOM 50076 H2 TIP3 5359 31.810 70.478 15.755 1.00 0.00 WT4 H ATOM 50077 OH2 TIP3 5360 59.367 62.518 49.265 1.00 0.00 WT4 O ATOM 50078 H1 TIP3 5360 58.504 62.712 49.630 1.00 0.00 WT4 H ATOM 50079 H2 TIP3 5360 59.186 62.183 48.387 1.00 0.00 WT4 H ATOM 50080 OH2 TIP3 5363 62.852 52.389 55.157 1.00 0.00 WT4 O ATOM 50081 H1 TIP3 5363 62.236 51.660 55.233 1.00 0.00 WT4 H ATOM 50082 H2 TIP3 5363 63.294 52.244 54.321 1.00 0.00 WT4 H ATOM 50083 OH2 TIP3 5364 87.357 12.015 34.843 1.00 0.00 WT4 O ATOM 50084 H1 TIP3 5364 87.425 12.876 35.256 1.00 0.00 WT4 H ATOM 50085 H2 TIP3 5364 88.207 11.883 34.422 1.00 0.00 WT4 H ATOM 50086 OH2 TIP3 5375 44.344 76.732 0.216 1.00 0.00 WT4 O ATOM 50087 H1 TIP3 5375 44.847 76.883 -0.585 1.00 0.00 WT4 H ATOM 50088 H2 TIP3 5375 44.770 75.981 0.629 1.00 0.00 WT4 H ATOM 50089 OH2 TIP3 5377 34.661 57.657 39.433 1.00 0.00 WT4 O ATOM 50090 H1 TIP3 5377 33.894 57.109 39.600 1.00 0.00 WT4 H ATOM 50091 H2 TIP3 5377 34.393 58.234 38.719 1.00 0.00 WT4 H ATOM 50092 OH2 TIP3 5378 28.138 62.848 -18.985 1.00 0.00 WT4 O ATOM 50093 H1 TIP3 5378 27.244 62.509 -19.026 1.00 0.00 WT4 H ATOM 50094 H2 TIP3 5378 28.691 62.067 -18.968 1.00 0.00 WT4 H ATOM 50095 OH2 TIP3 5379 90.628 24.100 55.960 1.00 0.00 WT4 O ATOM 50096 H1 TIP3 5379 91.297 23.699 56.515 1.00 0.00 WT4 H ATOM 50097 H2 TIP3 5379 89.798 23.859 56.371 1.00 0.00 WT4 H ATOM 50098 OH2 TIP3 5380 80.929 42.264 24.477 1.00 0.00 WT4 O ATOM 50099 H1 TIP3 5380 81.432 42.386 23.672 1.00 0.00 WT4 H ATOM 50100 H2 TIP3 5380 81.160 41.384 24.774 1.00 0.00 WT4 H ATOM 50101 OH2 TIP3 5381 34.421 45.119 65.361 1.00 0.00 WT4 O ATOM 50102 H1 TIP3 5381 35.217 45.528 65.701 1.00 0.00 WT4 H ATOM 50103 H2 TIP3 5381 33.897 44.931 66.139 1.00 0.00 WT4 H ATOM 50104 OH2 TIP3 5382 82.554 83.607 0.629 1.00 0.00 WT4 O ATOM 50105 H1 TIP3 5382 82.120 84.049 1.360 1.00 0.00 WT4 H ATOM 50106 H2 TIP3 5382 81.907 83.620 -0.076 1.00 0.00 WT4 H ATOM 50107 OH2 TIP3 5383 77.115 46.804 38.804 1.00 0.00 WT4 O ATOM 50108 H1 TIP3 5383 77.501 47.677 38.877 1.00 0.00 WT4 H ATOM 50109 H2 TIP3 5383 77.861 46.207 38.865 1.00 0.00 WT4 H ATOM 50110 OH2 TIP3 5384 25.749 44.636 -15.066 1.00 0.00 WT4 O ATOM 50111 H1 TIP3 5384 25.253 44.620 -14.248 1.00 0.00 WT4 H ATOM 50112 H2 TIP3 5384 26.655 44.787 -14.795 1.00 0.00 WT4 H ATOM 50113 OH2 TIP3 5385 21.178 12.232 46.108 1.00 0.00 WT4 O ATOM 50114 H1 TIP3 5385 21.191 11.660 45.341 1.00 0.00 WT4 H ATOM 50115 H2 TIP3 5385 21.886 12.858 45.952 1.00 0.00 WT4 H ATOM 50116 OH2 TIP3 5393 48.811 29.086 -10.502 1.00 0.00 WT4 O ATOM 50117 H1 TIP3 5393 49.058 28.175 -10.663 1.00 0.00 WT4 H ATOM 50118 H2 TIP3 5393 49.577 29.470 -10.076 1.00 0.00 WT4 H ATOM 50119 OH2 TIP3 5396 56.425 94.710 43.604 1.00 0.00 WT4 O ATOM 50120 H1 TIP3 5396 57.377 94.618 43.605 1.00 0.00 WT4 H ATOM 50121 H2 TIP3 5396 56.104 93.881 43.250 1.00 0.00 WT4 H ATOM 50122 OH2 TIP3 5399 65.959 91.379 -1.511 1.00 0.00 WT4 O ATOM 50123 H1 TIP3 5399 66.177 91.574 -0.600 1.00 0.00 WT4 H ATOM 50124 H2 TIP3 5399 65.141 91.852 -1.668 1.00 0.00 WT4 H ATOM 50125 OH2 TIP3 5400 67.650 35.474 13.057 1.00 0.00 WT4 O ATOM 50126 H1 TIP3 5400 66.792 35.404 13.475 1.00 0.00 WT4 H ATOM 50127 H2 TIP3 5400 67.850 36.410 13.076 1.00 0.00 WT4 H ATOM 50128 OH2 TIP3 5402 54.370 8.868 19.325 1.00 0.00 WT4 O ATOM 50129 H1 TIP3 5402 54.695 8.666 20.202 1.00 0.00 WT4 H ATOM 50130 H2 TIP3 5402 54.761 9.716 19.113 1.00 0.00 WT4 H ATOM 50131 OH2 TIP3 5404 61.264 80.399 61.992 1.00 0.00 WT4 O ATOM 50132 H1 TIP3 5404 61.317 80.815 62.852 1.00 0.00 WT4 H ATOM 50133 H2 TIP3 5404 61.770 80.973 61.416 1.00 0.00 WT4 H ATOM 50134 OH2 TIP3 5418 59.821 89.857 17.733 1.00 0.00 WT4 O ATOM 50135 H1 TIP3 5418 60.320 90.626 18.010 1.00 0.00 WT4 H ATOM 50136 H2 TIP3 5418 59.619 90.020 16.812 1.00 0.00 WT4 H ATOM 50137 OH2 TIP3 5419 75.968 80.142 -0.487 1.00 0.00 WT4 O ATOM 50138 H1 TIP3 5419 75.461 79.623 -1.111 1.00 0.00 WT4 H ATOM 50139 H2 TIP3 5419 76.866 80.106 -0.817 1.00 0.00 WT4 H ATOM 50140 OH2 TIP3 5420 76.228 86.126 30.560 1.00 0.00 WT4 O ATOM 50141 H1 TIP3 5420 75.621 86.148 29.819 1.00 0.00 WT4 H ATOM 50142 H2 TIP3 5420 76.374 87.046 30.778 1.00 0.00 WT4 H ATOM 50143 OH2 TIP3 5421 62.829 58.734 16.706 1.00 0.00 WT4 O ATOM 50144 H1 TIP3 5421 62.330 57.954 16.951 1.00 0.00 WT4 H ATOM 50145 H2 TIP3 5421 62.391 59.452 17.163 1.00 0.00 WT4 H ATOM 50146 OH2 TIP3 5422 35.430 21.478 50.836 1.00 0.00 WT4 O ATOM 50147 H1 TIP3 5422 34.572 21.195 51.153 1.00 0.00 WT4 H ATOM 50148 H2 TIP3 5422 35.324 22.413 50.662 1.00 0.00 WT4 H ATOM 50149 OH2 TIP3 5426 49.042 95.860 51.441 1.00 0.00 WT4 O ATOM 50150 H1 TIP3 5426 49.562 95.260 50.906 1.00 0.00 WT4 H ATOM 50151 H2 TIP3 5426 49.634 96.133 52.141 1.00 0.00 WT4 H ATOM 50152 OH2 TIP3 5430 24.325 82.690 3.486 1.00 0.00 WT4 O ATOM 50153 H1 TIP3 5430 24.217 82.205 4.304 1.00 0.00 WT4 H ATOM 50154 H2 TIP3 5430 25.259 82.894 3.450 1.00 0.00 WT4 H ATOM 50155 OH2 TIP3 5434 35.448 2.369 37.952 1.00 0.00 WT4 O ATOM 50156 H1 TIP3 5434 35.935 1.686 38.412 1.00 0.00 WT4 H ATOM 50157 H2 TIP3 5434 35.662 3.175 38.423 1.00 0.00 WT4 H ATOM 50158 OH2 TIP3 5440 35.002 68.643 53.517 1.00 0.00 WT4 O ATOM 50159 H1 TIP3 5440 34.767 69.513 53.840 1.00 0.00 WT4 H ATOM 50160 H2 TIP3 5440 35.959 68.650 53.484 1.00 0.00 WT4 H ATOM 50161 OH2 TIP3 5442 65.984 84.621 31.531 1.00 0.00 WT4 O ATOM 50162 H1 TIP3 5442 65.321 84.212 30.976 1.00 0.00 WT4 H ATOM 50163 H2 TIP3 5442 66.334 85.337 31.001 1.00 0.00 WT4 H ATOM 50164 OH2 TIP3 5443 42.746 78.984 -12.497 1.00 0.00 WT4 O ATOM 50165 H1 TIP3 5443 42.862 78.630 -11.616 1.00 0.00 WT4 H ATOM 50166 H2 TIP3 5443 41.809 78.894 -12.671 1.00 0.00 WT4 H ATOM 50167 OH2 TIP3 5444 38.152 5.891 47.339 1.00 0.00 WT4 O ATOM 50168 H1 TIP3 5444 38.466 5.405 48.101 1.00 0.00 WT4 H ATOM 50169 H2 TIP3 5444 38.761 5.661 46.638 1.00 0.00 WT4 H ATOM 50170 OH2 TIP3 5446 73.902 84.342 45.237 1.00 0.00 WT4 O ATOM 50171 H1 TIP3 5446 74.723 83.849 45.253 1.00 0.00 WT4 H ATOM 50172 H2 TIP3 5446 74.151 85.211 44.922 1.00 0.00 WT4 H ATOM 50173 OH2 TIP3 5460 70.615 67.554 -7.634 1.00 0.00 WT4 O ATOM 50174 H1 TIP3 5460 70.931 67.961 -8.441 1.00 0.00 WT4 H ATOM 50175 H2 TIP3 5460 70.186 66.748 -7.923 1.00 0.00 WT4 H ATOM 50176 OH2 TIP3 5461 27.596 52.604 42.171 1.00 0.00 WT4 O ATOM 50177 H1 TIP3 5461 28.524 52.413 42.032 1.00 0.00 WT4 H ATOM 50178 H2 TIP3 5461 27.492 53.510 41.879 1.00 0.00 WT4 H ATOM 50179 OH2 TIP3 5462 49.221 59.386 57.497 1.00 0.00 WT4 O ATOM 50180 H1 TIP3 5462 49.525 58.485 57.388 1.00 0.00 WT4 H ATOM 50181 H2 TIP3 5462 48.267 59.316 57.528 1.00 0.00 WT4 H ATOM 50182 OH2 TIP3 5463 90.631 57.684 12.377 1.00 0.00 WT4 O ATOM 50183 H1 TIP3 5463 89.770 58.095 12.460 1.00 0.00 WT4 H ATOM 50184 H2 TIP3 5463 91.176 58.137 13.020 1.00 0.00 WT4 H ATOM 50185 OH2 TIP3 5464 67.923 80.142 8.884 1.00 0.00 WT4 O ATOM 50186 H1 TIP3 5464 67.780 79.201 8.985 1.00 0.00 WT4 H ATOM 50187 H2 TIP3 5464 67.325 80.402 8.183 1.00 0.00 WT4 H ATOM 50188 OH2 TIP3 5466 36.698 9.779 35.974 1.00 0.00 WT4 O ATOM 50189 H1 TIP3 5466 37.107 10.637 35.861 1.00 0.00 WT4 H ATOM 50190 H2 TIP3 5466 35.881 9.835 35.479 1.00 0.00 WT4 H ATOM 50191 OH2 TIP3 5481 27.375 64.878 50.436 1.00 0.00 WT4 O ATOM 50192 H1 TIP3 5481 26.437 64.952 50.608 1.00 0.00 WT4 H ATOM 50193 H2 TIP3 5481 27.760 65.641 50.867 1.00 0.00 WT4 H ATOM 50194 OH2 TIP3 5482 28.690 91.889 48.382 1.00 0.00 WT4 O ATOM 50195 H1 TIP3 5482 27.735 91.881 48.313 1.00 0.00 WT4 H ATOM 50196 H2 TIP3 5482 28.995 91.953 47.477 1.00 0.00 WT4 H ATOM 50197 OH2 TIP3 5484 39.075 56.248 38.747 1.00 0.00 WT4 O ATOM 50198 H1 TIP3 5484 38.701 57.054 39.103 1.00 0.00 WT4 H ATOM 50199 H2 TIP3 5484 39.791 56.543 38.185 1.00 0.00 WT4 H ATOM 50200 OH2 TIP3 5487 74.549 82.654 6.338 1.00 0.00 WT4 O ATOM 50201 H1 TIP3 5487 73.902 83.340 6.176 1.00 0.00 WT4 H ATOM 50202 H2 TIP3 5487 75.377 83.124 6.442 1.00 0.00 WT4 H ATOM 50203 OH2 TIP3 5504 85.560 48.914 -3.778 1.00 0.00 WT4 O ATOM 50204 H1 TIP3 5504 85.977 48.957 -2.918 1.00 0.00 WT4 H ATOM 50205 H2 TIP3 5504 84.623 48.990 -3.595 1.00 0.00 WT4 H ATOM 50206 OH2 TIP3 5526 82.481 81.420 51.086 1.00 0.00 WT4 O ATOM 50207 H1 TIP3 5526 82.405 81.279 50.143 1.00 0.00 WT4 H ATOM 50208 H2 TIP3 5526 83.347 81.080 51.311 1.00 0.00 WT4 H ATOM 50209 OH2 TIP3 5528 73.318 65.746 -18.023 1.00 0.00 WT4 O ATOM 50210 H1 TIP3 5528 73.047 65.844 -17.110 1.00 0.00 WT4 H ATOM 50211 H2 TIP3 5528 73.883 66.501 -18.187 1.00 0.00 WT4 H ATOM 50212 OH2 TIP3 5553 67.265 89.307 -18.757 1.00 0.00 WT4 O ATOM 50213 H1 TIP3 5553 67.511 88.770 -19.510 1.00 0.00 WT4 H ATOM 50214 H2 TIP3 5553 67.596 90.180 -18.968 1.00 0.00 WT4 H ATOM 50215 OH2 TIP3 5650 37.146 61.759 51.272 1.00 0.00 WT4 O ATOM 50216 H1 TIP3 5650 37.045 62.088 50.378 1.00 0.00 WT4 H ATOM 50217 H2 TIP3 5650 37.887 61.156 51.223 1.00 0.00 WT4 H ATOM 50218 OH2 TIP3 5654 73.893 66.374 59.835 1.00 0.00 WT4 O ATOM 50219 H1 TIP3 5654 73.294 65.821 59.334 1.00 0.00 WT4 H ATOM 50220 H2 TIP3 5654 74.757 66.185 59.469 1.00 0.00 WT4 H ATOM 50221 OH2 TIP3 5669 80.032 87.372 -9.994 1.00 0.00 WT4 O ATOM 50222 H1 TIP3 5669 80.624 87.478 -9.250 1.00 0.00 WT4 H ATOM 50223 H2 TIP3 5669 80.371 87.973 -10.658 1.00 0.00 WT4 H ATOM 50224 OH2 TIP3 5676 85.416 33.089 62.227 1.00 0.00 WT4 O ATOM 50225 H1 TIP3 5676 86.164 32.605 61.877 1.00 0.00 WT4 H ATOM 50226 H2 TIP3 5676 85.615 34.006 62.039 1.00 0.00 WT4 H ATOM 50227 OH2 TIP3 5678 76.839 65.574 25.251 1.00 0.00 WT4 O ATOM 50228 H1 TIP3 5678 75.943 65.898 25.345 1.00 0.00 WT4 H ATOM 50229 H2 TIP3 5678 77.366 66.165 25.789 1.00 0.00 WT4 H ATOM 50230 OH2 TIP3 5679 53.125 30.920 42.981 1.00 0.00 WT4 O ATOM 50231 H1 TIP3 5679 53.669 30.153 42.802 1.00 0.00 WT4 H ATOM 50232 H2 TIP3 5679 53.310 31.520 42.259 1.00 0.00 WT4 H ATOM 50233 OH2 TIP3 5690 41.218 88.198 -4.265 1.00 0.00 WT4 O ATOM 50234 H1 TIP3 5690 40.970 87.621 -3.542 1.00 0.00 WT4 H ATOM 50235 H2 TIP3 5690 41.706 88.908 -3.849 1.00 0.00 WT4 H ATOM 50236 OH2 TIP3 5692 87.026 83.805 50.367 1.00 0.00 WT4 O ATOM 50237 H1 TIP3 5692 87.792 83.382 49.981 1.00 0.00 WT4 H ATOM 50238 H2 TIP3 5692 86.986 84.663 49.944 1.00 0.00 WT4 H ATOM 50239 OH2 TIP3 5697 73.768 4.391 5.964 1.00 0.00 WT4 O ATOM 50240 H1 TIP3 5697 73.348 4.510 6.815 1.00 0.00 WT4 H ATOM 50241 H2 TIP3 5697 73.060 4.498 5.329 1.00 0.00 WT4 H ATOM 50242 OH2 TIP3 5710 47.964 73.451 47.259 1.00 0.00 WT4 O ATOM 50243 H1 TIP3 5710 47.722 72.899 46.515 1.00 0.00 WT4 H ATOM 50244 H2 TIP3 5710 48.548 72.903 47.784 1.00 0.00 WT4 H ATOM 50245 OH2 TIP3 5711 40.702 15.404 29.089 1.00 0.00 WT4 O ATOM 50246 H1 TIP3 5711 40.856 16.345 29.005 1.00 0.00 WT4 H ATOM 50247 H2 TIP3 5711 40.112 15.323 29.838 1.00 0.00 WT4 H ATOM 50248 OH2 TIP3 5713 50.433 86.543 -7.648 1.00 0.00 WT4 O ATOM 50249 H1 TIP3 5713 49.615 86.063 -7.518 1.00 0.00 WT4 H ATOM 50250 H2 TIP3 5713 50.718 86.296 -8.528 1.00 0.00 WT4 H ATOM 50251 OH2 TIP3 5714 67.543 2.177 -15.617 1.00 0.00 WT4 O ATOM 50252 H1 TIP3 5714 66.787 2.765 -15.600 1.00 0.00 WT4 H ATOM 50253 H2 TIP3 5714 68.254 2.690 -15.233 1.00 0.00 WT4 H ATOM 50254 OH2 TIP3 5715 88.176 85.418 29.972 1.00 0.00 WT4 O ATOM 50255 H1 TIP3 5715 87.852 86.312 29.862 1.00 0.00 WT4 H ATOM 50256 H2 TIP3 5715 88.844 85.487 30.655 1.00 0.00 WT4 H ATOM 50257 OH2 TIP3 5720 21.445 0.520 -2.509 1.00 0.00 WT4 O ATOM 50258 H1 TIP3 5720 21.591 0.253 -1.601 1.00 0.00 WT4 H ATOM 50259 H2 TIP3 5720 22.280 0.896 -2.786 1.00 0.00 WT4 H ATOM 50260 OH2 TIP3 5734 75.726 27.246 54.772 1.00 0.00 WT4 O ATOM 50261 H1 TIP3 5734 74.934 27.447 54.273 1.00 0.00 WT4 H ATOM 50262 H2 TIP3 5734 76.066 28.100 55.036 1.00 0.00 WT4 H ATOM 50263 OH2 TIP3 5736 34.440 68.567 -8.305 1.00 0.00 WT4 O ATOM 50264 H1 TIP3 5736 34.252 67.650 -8.104 1.00 0.00 WT4 H ATOM 50265 H2 TIP3 5736 35.076 68.833 -7.641 1.00 0.00 WT4 H ATOM 50266 OH2 TIP3 5738 21.102 70.250 -15.206 1.00 0.00 WT4 O ATOM 50267 H1 TIP3 5738 21.497 69.907 -14.404 1.00 0.00 WT4 H ATOM 50268 H2 TIP3 5738 20.708 71.082 -14.942 1.00 0.00 WT4 H ATOM 50269 OH2 TIP3 5755 76.436 57.934 49.800 1.00 0.00 WT4 O ATOM 50270 H1 TIP3 5755 77.093 58.428 49.309 1.00 0.00 WT4 H ATOM 50271 H2 TIP3 5755 75.885 57.534 49.128 1.00 0.00 WT4 H ATOM 50272 OH2 TIP3 5756 37.886 89.788 35.175 1.00 0.00 WT4 O ATOM 50273 H1 TIP3 5756 37.162 89.607 35.774 1.00 0.00 WT4 H ATOM 50274 H2 TIP3 5756 38.424 88.997 35.202 1.00 0.00 WT4 H ATOM 50275 OH2 TIP3 5758 52.031 65.301 -18.474 1.00 0.00 WT4 O ATOM 50276 H1 TIP3 5758 51.735 64.425 -18.226 1.00 0.00 WT4 H ATOM 50277 H2 TIP3 5758 52.986 65.236 -18.490 1.00 0.00 WT4 H ATOM 50278 OH2 TIP3 5762 50.071 44.575 22.149 1.00 0.00 WT4 O ATOM 50279 H1 TIP3 5762 50.925 44.982 22.003 1.00 0.00 WT4 H ATOM 50280 H2 TIP3 5762 49.655 44.574 21.286 1.00 0.00 WT4 H ATOM 50281 OH2 TIP3 5764 65.699 9.529 -13.628 1.00 0.00 WT4 O ATOM 50282 H1 TIP3 5764 66.599 9.440 -13.316 1.00 0.00 WT4 H ATOM 50283 H2 TIP3 5764 65.170 9.556 -12.830 1.00 0.00 WT4 H ATOM 50284 OH2 TIP3 5767 73.455 73.740 8.036 1.00 0.00 WT4 O ATOM 50285 H1 TIP3 5767 72.669 73.194 8.014 1.00 0.00 WT4 H ATOM 50286 H2 TIP3 5767 74.181 73.117 7.995 1.00 0.00 WT4 H ATOM 50287 OH2 TIP3 5768 24.183 36.808 -0.242 1.00 0.00 WT4 O ATOM 50288 H1 TIP3 5768 24.986 36.328 -0.039 1.00 0.00 WT4 H ATOM 50289 H2 TIP3 5768 23.511 36.391 0.297 1.00 0.00 WT4 H ATOM 50290 OH2 TIP3 5777 68.731 49.574 56.599 1.00 0.00 WT4 O ATOM 50291 H1 TIP3 5777 67.857 49.863 56.335 1.00 0.00 WT4 H ATOM 50292 H2 TIP3 5777 69.193 49.422 55.774 1.00 0.00 WT4 H ATOM 50293 OH2 TIP3 5778 25.698 76.686 40.538 1.00 0.00 WT4 O ATOM 50294 H1 TIP3 5778 25.146 75.904 40.529 1.00 0.00 WT4 H ATOM 50295 H2 TIP3 5778 26.328 76.543 39.831 1.00 0.00 WT4 H ATOM 50296 OH2 TIP3 5779 74.181 72.031 3.615 1.00 0.00 WT4 O ATOM 50297 H1 TIP3 5779 73.600 72.065 2.855 1.00 0.00 WT4 H ATOM 50298 H2 TIP3 5779 74.003 72.843 4.090 1.00 0.00 WT4 H ATOM 50299 OH2 TIP3 5780 38.079 32.761 5.056 1.00 0.00 WT4 O ATOM 50300 H1 TIP3 5780 37.198 32.661 5.417 1.00 0.00 WT4 H ATOM 50301 H2 TIP3 5780 38.555 33.259 5.721 1.00 0.00 WT4 H ATOM 50302 OH2 TIP3 5795 46.691 64.235 63.943 1.00 0.00 WT4 O ATOM 50303 H1 TIP3 5795 46.317 63.356 64.010 1.00 0.00 WT4 H ATOM 50304 H2 TIP3 5795 46.385 64.687 64.730 1.00 0.00 WT4 H ATOM 50305 OH2 TIP3 5797 72.257 76.484 36.338 1.00 0.00 WT4 O ATOM 50306 H1 TIP3 5797 72.140 75.620 35.943 1.00 0.00 WT4 H ATOM 50307 H2 TIP3 5797 72.654 76.306 37.190 1.00 0.00 WT4 H ATOM 50308 OH2 TIP3 5798 88.253 84.326 23.031 1.00 0.00 WT4 O ATOM 50309 H1 TIP3 5798 87.506 84.781 22.642 1.00 0.00 WT4 H ATOM 50310 H2 TIP3 5798 88.988 84.538 22.456 1.00 0.00 WT4 H ATOM 50311 OH2 TIP3 5799 76.414 4.490 6.874 1.00 0.00 WT4 O ATOM 50312 H1 TIP3 5799 77.129 3.958 6.522 1.00 0.00 WT4 H ATOM 50313 H2 TIP3 5799 75.662 4.277 6.320 1.00 0.00 WT4 H ATOM 50314 OH2 TIP3 5800 87.244 52.224 52.143 1.00 0.00 WT4 O ATOM 50315 H1 TIP3 5800 86.631 52.493 51.459 1.00 0.00 WT4 H ATOM 50316 H2 TIP3 5800 88.074 52.633 51.895 1.00 0.00 WT4 H ATOM 50317 OH2 TIP3 5801 87.773 68.796 -8.179 1.00 0.00 WT4 O ATOM 50318 H1 TIP3 5801 87.709 69.647 -7.745 1.00 0.00 WT4 H ATOM 50319 H2 TIP3 5801 88.123 68.995 -9.047 1.00 0.00 WT4 H ATOM 50320 OH2 TIP3 5802 80.678 66.629 57.933 1.00 0.00 WT4 O ATOM 50321 H1 TIP3 5802 80.387 66.197 58.736 1.00 0.00 WT4 H ATOM 50322 H2 TIP3 5802 81.586 66.877 58.110 1.00 0.00 WT4 H ATOM 50323 OH2 TIP3 5818 25.050 9.572 4.603 1.00 0.00 WT4 O ATOM 50324 H1 TIP3 5818 25.307 8.960 3.914 1.00 0.00 WT4 H ATOM 50325 H2 TIP3 5818 25.023 10.424 4.169 1.00 0.00 WT4 H ATOM 50326 OH2 TIP3 5819 82.316 2.396 51.625 1.00 0.00 WT4 O ATOM 50327 H1 TIP3 5819 83.096 2.747 51.195 1.00 0.00 WT4 H ATOM 50328 H2 TIP3 5819 81.730 2.162 50.906 1.00 0.00 WT4 H ATOM 50329 OH2 TIP3 5820 54.958 87.896 59.690 1.00 0.00 WT4 O ATOM 50330 H1 TIP3 5820 54.737 88.554 60.350 1.00 0.00 WT4 H ATOM 50331 H2 TIP3 5820 55.341 88.397 58.970 1.00 0.00 WT4 H ATOM 50332 OH2 TIP3 5821 87.017 89.868 28.415 1.00 0.00 WT4 O ATOM 50333 H1 TIP3 5821 86.830 89.152 27.809 1.00 0.00 WT4 H ATOM 50334 H2 TIP3 5821 87.613 90.441 27.933 1.00 0.00 WT4 H ATOM 50335 OH2 TIP3 5823 85.331 72.187 52.476 1.00 0.00 WT4 O ATOM 50336 H1 TIP3 5823 85.017 71.858 51.634 1.00 0.00 WT4 H ATOM 50337 H2 TIP3 5823 85.482 71.401 53.000 1.00 0.00 WT4 H ATOM 50338 OH2 TIP3 5828 50.473 76.298 -2.042 1.00 0.00 WT4 O ATOM 50339 H1 TIP3 5828 51.079 76.072 -1.336 1.00 0.00 WT4 H ATOM 50340 H2 TIP3 5828 50.934 76.051 -2.843 1.00 0.00 WT4 H ATOM 50341 OH2 TIP3 5836 29.735 6.397 58.209 1.00 0.00 WT4 O ATOM 50342 H1 TIP3 5836 29.432 7.278 58.430 1.00 0.00 WT4 H ATOM 50343 H2 TIP3 5836 30.155 6.496 57.354 1.00 0.00 WT4 H ATOM 50344 OH2 TIP3 5837 54.855 92.990 54.556 1.00 0.00 WT4 O ATOM 50345 H1 TIP3 5837 54.378 92.376 53.998 1.00 0.00 WT4 H ATOM 50346 H2 TIP3 5837 55.613 93.250 54.033 1.00 0.00 WT4 H ATOM 50347 OH2 TIP3 5839 89.999 15.567 52.017 1.00 0.00 WT4 O ATOM 50348 H1 TIP3 5839 90.474 15.900 51.256 1.00 0.00 WT4 H ATOM 50349 H2 TIP3 5839 90.673 15.442 52.685 1.00 0.00 WT4 H ATOM 50350 OH2 TIP3 5840 29.218 93.878 50.141 1.00 0.00 WT4 O ATOM 50351 H1 TIP3 5840 28.487 94.234 50.645 1.00 0.00 WT4 H ATOM 50352 H2 TIP3 5840 28.805 93.327 49.476 1.00 0.00 WT4 H ATOM 50353 OH2 TIP3 5841 86.950 96.800 -10.628 1.00 0.00 WT4 O ATOM 50354 H1 TIP3 5841 87.516 97.221 -11.274 1.00 0.00 WT4 H ATOM 50355 H2 TIP3 5841 86.610 96.024 -11.074 1.00 0.00 WT4 H ATOM 50356 OH2 TIP3 5843 83.865 95.428 54.413 1.00 0.00 WT4 O ATOM 50357 H1 TIP3 5843 84.557 95.516 55.068 1.00 0.00 WT4 H ATOM 50358 H2 TIP3 5843 83.893 96.249 53.922 1.00 0.00 WT4 H ATOM 50359 OH2 TIP3 5844 85.973 15.613 48.052 1.00 0.00 WT4 O ATOM 50360 H1 TIP3 5844 85.979 16.348 48.666 1.00 0.00 WT4 H ATOM 50361 H2 TIP3 5844 85.562 14.898 48.538 1.00 0.00 WT4 H ATOM 50362 OH2 TIP3 5846 49.862 70.752 34.063 1.00 0.00 WT4 O ATOM 50363 H1 TIP3 5846 50.685 71.240 34.044 1.00 0.00 WT4 H ATOM 50364 H2 TIP3 5846 50.097 69.874 33.762 1.00 0.00 WT4 H ATOM 50365 OH2 TIP3 5859 54.402 49.294 55.021 1.00 0.00 WT4 O ATOM 50366 H1 TIP3 5859 53.641 49.041 54.497 1.00 0.00 WT4 H ATOM 50367 H2 TIP3 5859 54.718 50.099 54.612 1.00 0.00 WT4 H ATOM 50368 OH2 TIP3 5860 46.663 80.325 0.543 1.00 0.00 WT4 O ATOM 50369 H1 TIP3 5860 47.529 79.943 0.684 1.00 0.00 WT4 H ATOM 50370 H2 TIP3 5860 46.777 81.255 0.737 1.00 0.00 WT4 H ATOM 50371 OH2 TIP3 5861 58.664 87.252 50.689 1.00 0.00 WT4 O ATOM 50372 H1 TIP3 5861 59.033 86.788 51.440 1.00 0.00 WT4 H ATOM 50373 H2 TIP3 5861 57.975 86.673 50.363 1.00 0.00 WT4 H ATOM 50374 OH2 TIP3 5862 28.351 33.315 22.832 1.00 0.00 WT4 O ATOM 50375 H1 TIP3 5862 28.416 32.654 22.143 1.00 0.00 WT4 H ATOM 50376 H2 TIP3 5862 28.707 34.111 22.436 1.00 0.00 WT4 H ATOM 50377 OH2 TIP3 5863 57.695 93.228 -7.958 1.00 0.00 WT4 O ATOM 50378 H1 TIP3 5863 57.649 92.413 -7.458 1.00 0.00 WT4 H ATOM 50379 H2 TIP3 5863 58.627 93.442 -7.983 1.00 0.00 WT4 H ATOM 50380 OH2 TIP3 5865 74.227 52.123 -14.724 1.00 0.00 WT4 O ATOM 50381 H1 TIP3 5865 74.125 51.191 -14.918 1.00 0.00 WT4 H ATOM 50382 H2 TIP3 5865 73.715 52.566 -15.401 1.00 0.00 WT4 H ATOM 50383 OH2 TIP3 5866 65.329 80.915 10.849 1.00 0.00 WT4 O ATOM 50384 H1 TIP3 5866 65.677 80.027 10.768 1.00 0.00 WT4 H ATOM 50385 H2 TIP3 5866 65.609 81.204 11.718 1.00 0.00 WT4 H ATOM 50386 OH2 TIP3 5869 42.763 70.301 27.923 1.00 0.00 WT4 O ATOM 50387 H1 TIP3 5869 43.259 70.805 28.567 1.00 0.00 WT4 H ATOM 50388 H2 TIP3 5869 43.427 69.954 27.327 1.00 0.00 WT4 H ATOM 50389 OH2 TIP3 5881 28.104 35.767 25.108 1.00 0.00 WT4 O ATOM 50390 H1 TIP3 5881 27.562 35.247 24.513 1.00 0.00 WT4 H ATOM 50391 H2 TIP3 5881 28.829 36.074 24.564 1.00 0.00 WT4 H ATOM 50392 OH2 TIP3 5883 32.746 41.514 59.899 1.00 0.00 WT4 O ATOM 50393 H1 TIP3 5883 32.346 42.342 60.166 1.00 0.00 WT4 H ATOM 50394 H2 TIP3 5883 33.688 41.682 59.929 1.00 0.00 WT4 H ATOM 50395 OH2 TIP3 5884 20.703 0.111 48.536 1.00 0.00 WT4 O ATOM 50396 H1 TIP3 5884 20.217 0.859 48.881 1.00 0.00 WT4 H ATOM 50397 H2 TIP3 5884 20.293 -0.073 47.691 1.00 0.00 WT4 H ATOM 50398 OH2 TIP3 5886 44.616 52.889 -7.989 1.00 0.00 WT4 O ATOM 50399 H1 TIP3 5886 44.370 53.188 -7.114 1.00 0.00 WT4 H ATOM 50400 H2 TIP3 5886 44.496 53.658 -8.547 1.00 0.00 WT4 H ATOM 50401 OH2 TIP3 5887 54.179 7.547 9.765 1.00 0.00 WT4 O ATOM 50402 H1 TIP3 5887 53.362 8.028 9.632 1.00 0.00 WT4 H ATOM 50403 H2 TIP3 5887 54.167 7.303 10.691 1.00 0.00 WT4 H ATOM 50404 OH2 TIP3 5889 64.602 14.416 31.427 1.00 0.00 WT4 O ATOM 50405 H1 TIP3 5889 65.264 14.601 30.761 1.00 0.00 WT4 H ATOM 50406 H2 TIP3 5889 64.043 15.192 31.432 1.00 0.00 WT4 H ATOM 50407 OH2 TIP3 5899 30.450 15.612 51.394 1.00 0.00 WT4 O ATOM 50408 H1 TIP3 5899 29.644 15.785 50.908 1.00 0.00 WT4 H ATOM 50409 H2 TIP3 5899 30.382 14.693 51.652 1.00 0.00 WT4 H ATOM 50410 OH2 TIP3 5901 48.722 60.925 7.874 1.00 0.00 WT4 O ATOM 50411 H1 TIP3 5901 49.463 60.389 8.157 1.00 0.00 WT4 H ATOM 50412 H2 TIP3 5901 48.625 61.584 8.561 1.00 0.00 WT4 H ATOM 50413 OH2 TIP3 5903 78.849 94.258 31.069 1.00 0.00 WT4 O ATOM 50414 H1 TIP3 5903 78.019 93.969 30.690 1.00 0.00 WT4 H ATOM 50415 H2 TIP3 5903 78.816 93.957 31.977 1.00 0.00 WT4 H ATOM 50416 OH2 TIP3 5905 82.511 5.884 -10.621 1.00 0.00 WT4 O ATOM 50417 H1 TIP3 5905 81.919 5.309 -10.135 1.00 0.00 WT4 H ATOM 50418 H2 TIP3 5905 82.941 5.307 -11.252 1.00 0.00 WT4 H ATOM 50419 OH2 TIP3 5906 36.669 86.111 51.664 1.00 0.00 WT4 O ATOM 50420 H1 TIP3 5906 36.342 86.754 51.035 1.00 0.00 WT4 H ATOM 50421 H2 TIP3 5906 36.457 86.484 52.520 1.00 0.00 WT4 H ATOM 50422 OH2 TIP3 5909 40.435 39.599 46.049 1.00 0.00 WT4 O ATOM 50423 H1 TIP3 5909 39.668 39.862 45.540 1.00 0.00 WT4 H ATOM 50424 H2 TIP3 5909 40.206 38.739 46.402 1.00 0.00 WT4 H ATOM 50425 OH2 TIP3 5911 77.045 29.862 -17.521 1.00 0.00 WT4 O ATOM 50426 H1 TIP3 5911 76.182 29.493 -17.711 1.00 0.00 WT4 H ATOM 50427 H2 TIP3 5911 77.275 30.354 -18.309 1.00 0.00 WT4 H ATOM 50428 OH2 TIP3 5920 87.262 85.201 -3.795 1.00 0.00 WT4 O ATOM 50429 H1 TIP3 5920 86.997 84.302 -3.988 1.00 0.00 WT4 H ATOM 50430 H2 TIP3 5920 87.089 85.307 -2.859 1.00 0.00 WT4 H ATOM 50431 OH2 TIP3 5926 85.604 87.641 46.219 1.00 0.00 WT4 O ATOM 50432 H1 TIP3 5926 85.116 87.368 46.995 1.00 0.00 WT4 H ATOM 50433 H2 TIP3 5926 85.147 87.223 45.489 1.00 0.00 WT4 H ATOM 50434 OH2 TIP3 5945 57.500 5.534 57.026 1.00 0.00 WT4 O ATOM 50435 H1 TIP3 5945 58.125 5.479 56.303 1.00 0.00 WT4 H ATOM 50436 H2 TIP3 5945 57.006 4.716 56.979 1.00 0.00 WT4 H ATOM 50437 OH2 TIP3 5947 30.208 70.170 22.999 1.00 0.00 WT4 O ATOM 50438 H1 TIP3 5947 29.733 69.470 23.448 1.00 0.00 WT4 H ATOM 50439 H2 TIP3 5947 31.112 70.076 23.297 1.00 0.00 WT4 H ATOM 50440 OH2 TIP3 5948 85.103 63.461 61.421 1.00 0.00 WT4 O ATOM 50441 H1 TIP3 5948 85.017 64.370 61.706 1.00 0.00 WT4 H ATOM 50442 H2 TIP3 5948 85.134 63.511 60.466 1.00 0.00 WT4 H ATOM 50443 OH2 TIP3 5949 52.843 29.146 48.572 1.00 0.00 WT4 O ATOM 50444 H1 TIP3 5949 52.717 28.902 47.655 1.00 0.00 WT4 H ATOM 50445 H2 TIP3 5949 51.966 29.103 48.954 1.00 0.00 WT4 H ATOM 50446 OH2 TIP3 5964 32.602 2.696 62.047 1.00 0.00 WT4 O ATOM 50447 H1 TIP3 5964 31.813 2.646 61.508 1.00 0.00 WT4 H ATOM 50448 H2 TIP3 5964 33.055 3.480 61.739 1.00 0.00 WT4 H ATOM 50449 OH2 TIP3 5965 72.348 47.790 50.105 1.00 0.00 WT4 O ATOM 50450 H1 TIP3 5965 71.744 47.102 50.386 1.00 0.00 WT4 H ATOM 50451 H2 TIP3 5965 71.973 48.597 50.457 1.00 0.00 WT4 H ATOM 50452 OH2 TIP3 5994 79.852 48.295 24.716 1.00 0.00 WT4 O ATOM 50453 H1 TIP3 5994 79.504 49.102 24.336 1.00 0.00 WT4 H ATOM 50454 H2 TIP3 5994 79.497 48.277 25.605 1.00 0.00 WT4 H ATOM 50455 OH2 TIP3 6019 79.681 7.162 -9.605 1.00 0.00 WT4 O ATOM 50456 H1 TIP3 6019 80.324 6.965 -10.286 1.00 0.00 WT4 H ATOM 50457 H2 TIP3 6019 79.850 8.075 -9.372 1.00 0.00 WT4 H ATOM 50458 OH2 TIP3 6090 66.553 72.687 59.625 1.00 0.00 WT4 O ATOM 50459 H1 TIP3 6090 66.969 72.976 60.437 1.00 0.00 WT4 H ATOM 50460 H2 TIP3 6090 66.036 73.440 59.339 1.00 0.00 WT4 H ATOM 50461 OH2 TIP3 6091 76.945 61.037 -9.799 1.00 0.00 WT4 O ATOM 50462 H1 TIP3 6091 76.008 60.875 -9.904 1.00 0.00 WT4 H ATOM 50463 H2 TIP3 6091 77.032 61.989 -9.855 1.00 0.00 WT4 H ATOM 50464 OH2 TIP3 6110 34.091 67.985 10.932 1.00 0.00 WT4 O ATOM 50465 H1 TIP3 6110 34.758 67.827 10.264 1.00 0.00 WT4 H ATOM 50466 H2 TIP3 6110 34.537 67.812 11.761 1.00 0.00 WT4 H ATOM 50467 OH2 TIP3 6134 48.328 19.969 64.522 1.00 0.00 WT4 O ATOM 50468 H1 TIP3 6134 49.054 19.351 64.433 1.00 0.00 WT4 H ATOM 50469 H2 TIP3 6134 48.036 20.127 63.625 1.00 0.00 WT4 H ATOM 50470 OH2 TIP3 6136 78.171 71.297 13.731 1.00 0.00 WT4 O ATOM 50471 H1 TIP3 6136 77.928 70.372 13.777 1.00 0.00 WT4 H ATOM 50472 H2 TIP3 6136 78.554 71.401 12.860 1.00 0.00 WT4 H ATOM 50473 OH2 TIP3 6138 55.898 48.476 3.777 1.00 0.00 WT4 O ATOM 50474 H1 TIP3 6138 56.751 48.830 3.526 1.00 0.00 WT4 H ATOM 50475 H2 TIP3 6138 55.374 49.246 3.997 1.00 0.00 WT4 H ATOM 50476 OH2 TIP3 6174 70.521 56.509 59.562 1.00 0.00 WT4 O ATOM 50477 H1 TIP3 6174 71.066 57.157 59.115 1.00 0.00 WT4 H ATOM 50478 H2 TIP3 6174 69.674 56.560 59.118 1.00 0.00 WT4 H ATOM 50479 OH2 TIP3 6176 77.982 16.915 -18.141 1.00 0.00 WT4 O ATOM 50480 H1 TIP3 6176 77.345 16.214 -18.006 1.00 0.00 WT4 H ATOM 50481 H2 TIP3 6176 77.847 17.191 -19.048 1.00 0.00 WT4 H ATOM 50482 OH2 TIP3 6177 49.558 64.277 56.159 1.00 0.00 WT4 O ATOM 50483 H1 TIP3 6177 49.246 63.557 55.611 1.00 0.00 WT4 H ATOM 50484 H2 TIP3 6177 50.253 63.890 56.691 1.00 0.00 WT4 H ATOM 50485 OH2 TIP3 6178 65.440 3.601 1.404 1.00 0.00 WT4 O ATOM 50486 H1 TIP3 6178 66.220 4.127 1.228 1.00 0.00 WT4 H ATOM 50487 H2 TIP3 6178 64.710 4.212 1.300 1.00 0.00 WT4 H ATOM 50488 OH2 TIP3 6179 57.960 60.886 24.523 1.00 0.00 WT4 O ATOM 50489 H1 TIP3 6179 57.137 61.053 24.983 1.00 0.00 WT4 H ATOM 50490 H2 TIP3 6179 57.896 59.973 24.243 1.00 0.00 WT4 H ATOM 50491 OH2 TIP3 6181 35.016 94.196 50.444 1.00 0.00 WT4 O ATOM 50492 H1 TIP3 6181 34.973 94.176 51.400 1.00 0.00 WT4 H ATOM 50493 H2 TIP3 6181 35.688 94.848 50.248 1.00 0.00 WT4 H ATOM 50494 OH2 TIP3 6183 75.554 83.077 -6.051 1.00 0.00 WT4 O ATOM 50495 H1 TIP3 6183 75.599 82.248 -6.527 1.00 0.00 WT4 H ATOM 50496 H2 TIP3 6183 74.980 83.628 -6.584 1.00 0.00 WT4 H ATOM 50497 OH2 TIP3 6195 60.229 95.250 60.106 1.00 0.00 WT4 O ATOM 50498 H1 TIP3 6195 59.955 95.205 59.190 1.00 0.00 WT4 H ATOM 50499 H2 TIP3 6195 59.415 95.184 60.604 1.00 0.00 WT4 H ATOM 50500 OH2 TIP3 6198 46.013 94.695 46.436 1.00 0.00 WT4 O ATOM 50501 H1 TIP3 6198 46.463 93.896 46.160 1.00 0.00 WT4 H ATOM 50502 H2 TIP3 6198 45.927 94.607 47.385 1.00 0.00 WT4 H ATOM 50503 OH2 TIP3 6200 69.102 62.731 20.618 1.00 0.00 WT4 O ATOM 50504 H1 TIP3 6200 68.873 61.858 20.936 1.00 0.00 WT4 H ATOM 50505 H2 TIP3 6200 69.037 62.664 19.665 1.00 0.00 WT4 H ATOM 50506 OH2 TIP3 6215 71.881 54.856 22.604 1.00 0.00 WT4 O ATOM 50507 H1 TIP3 6215 71.754 53.915 22.479 1.00 0.00 WT4 H ATOM 50508 H2 TIP3 6215 70.995 55.219 22.604 1.00 0.00 WT4 H ATOM 50509 OH2 TIP3 6216 48.941 80.163 62.115 1.00 0.00 WT4 O ATOM 50510 H1 TIP3 6216 48.410 79.489 62.541 1.00 0.00 WT4 H ATOM 50511 H2 TIP3 6216 49.688 80.285 62.701 1.00 0.00 WT4 H ATOM 50512 OH2 TIP3 6218 84.825 49.877 18.473 1.00 0.00 WT4 O ATOM 50513 H1 TIP3 6218 84.359 50.707 18.375 1.00 0.00 WT4 H ATOM 50514 H2 TIP3 6218 85.107 49.654 17.586 1.00 0.00 WT4 H ATOM 50515 OH2 TIP3 6219 33.660 60.661 -12.954 1.00 0.00 WT4 O ATOM 50516 H1 TIP3 6219 33.688 61.011 -12.064 1.00 0.00 WT4 H ATOM 50517 H2 TIP3 6219 34.197 59.869 -12.917 1.00 0.00 WT4 H ATOM 50518 OH2 TIP3 6220 80.474 0.349 32.434 1.00 0.00 WT4 O ATOM 50519 H1 TIP3 6220 80.582 1.267 32.683 1.00 0.00 WT4 H ATOM 50520 H2 TIP3 6220 80.666 0.330 31.497 1.00 0.00 WT4 H ATOM 50521 OH2 TIP3 6221 52.697 35.994 49.515 1.00 0.00 WT4 O ATOM 50522 H1 TIP3 6221 52.999 36.169 48.624 1.00 0.00 WT4 H ATOM 50523 H2 TIP3 6221 52.546 36.861 49.892 1.00 0.00 WT4 H ATOM 50524 OH2 TIP3 6225 89.783 47.480 0.223 1.00 0.00 WT4 O ATOM 50525 H1 TIP3 6225 89.742 46.556 0.469 1.00 0.00 WT4 H ATOM 50526 H2 TIP3 6225 88.977 47.858 0.575 1.00 0.00 WT4 H ATOM 50527 OH2 TIP3 6238 55.942 83.852 7.513 1.00 0.00 WT4 O ATOM 50528 H1 TIP3 6238 56.844 84.024 7.242 1.00 0.00 WT4 H ATOM 50529 H2 TIP3 6238 55.997 83.052 8.036 1.00 0.00 WT4 H ATOM 50530 OH2 TIP3 6240 34.922 74.282 -17.735 1.00 0.00 WT4 O ATOM 50531 H1 TIP3 6240 34.307 73.619 -18.050 1.00 0.00 WT4 H ATOM 50532 H2 TIP3 6240 34.606 74.506 -16.860 1.00 0.00 WT4 H ATOM 50533 OH2 TIP3 6241 39.212 79.355 41.663 1.00 0.00 WT4 O ATOM 50534 H1 TIP3 6241 39.457 79.190 40.753 1.00 0.00 WT4 H ATOM 50535 H2 TIP3 6241 38.401 78.862 41.787 1.00 0.00 WT4 H ATOM 50536 OH2 TIP3 6242 55.283 17.503 39.671 1.00 0.00 WT4 O ATOM 50537 H1 TIP3 6242 54.430 17.681 40.068 1.00 0.00 WT4 H ATOM 50538 H2 TIP3 6242 55.154 17.674 38.738 1.00 0.00 WT4 H ATOM 50539 OH2 TIP3 6243 54.999 13.970 24.411 1.00 0.00 WT4 O ATOM 50540 H1 TIP3 6243 54.806 13.206 23.867 1.00 0.00 WT4 H ATOM 50541 H2 TIP3 6243 54.410 13.887 25.160 1.00 0.00 WT4 H ATOM 50542 OH2 TIP3 6245 45.092 2.656 46.537 1.00 0.00 WT4 O ATOM 50543 H1 TIP3 6245 44.224 2.971 46.790 1.00 0.00 WT4 H ATOM 50544 H2 TIP3 6245 45.333 3.195 45.784 1.00 0.00 WT4 H ATOM 50545 OH2 TIP3 6246 53.170 8.479 56.741 1.00 0.00 WT4 O ATOM 50546 H1 TIP3 6246 53.184 8.708 57.671 1.00 0.00 WT4 H ATOM 50547 H2 TIP3 6246 54.023 8.076 56.581 1.00 0.00 WT4 H ATOM 50548 OH2 TIP3 6258 73.403 82.319 -15.199 1.00 0.00 WT4 O ATOM 50549 H1 TIP3 6258 74.360 82.343 -15.236 1.00 0.00 WT4 H ATOM 50550 H2 TIP3 6258 73.122 82.882 -15.920 1.00 0.00 WT4 H ATOM 50551 OH2 TIP3 6259 64.529 25.906 42.178 1.00 0.00 WT4 O ATOM 50552 H1 TIP3 6259 65.151 25.935 42.905 1.00 0.00 WT4 H ATOM 50553 H2 TIP3 6259 63.941 26.645 42.335 1.00 0.00 WT4 H ATOM 50554 OH2 TIP3 6261 52.723 5.579 1.650 1.00 0.00 WT4 O ATOM 50555 H1 TIP3 6261 53.021 6.307 2.196 1.00 0.00 WT4 H ATOM 50556 H2 TIP3 6261 52.372 5.997 0.863 1.00 0.00 WT4 H ATOM 50557 OH2 TIP3 6263 25.409 16.770 31.498 1.00 0.00 WT4 O ATOM 50558 H1 TIP3 6263 25.099 15.867 31.428 1.00 0.00 WT4 H ATOM 50559 H2 TIP3 6263 26.092 16.842 30.832 1.00 0.00 WT4 H ATOM 50560 OH2 TIP3 6264 52.443 10.046 31.076 1.00 0.00 WT4 O ATOM 50561 H1 TIP3 6264 52.193 10.966 30.997 1.00 0.00 WT4 H ATOM 50562 H2 TIP3 6264 53.100 9.916 30.391 1.00 0.00 WT4 H ATOM 50563 OH2 TIP3 6269 60.085 79.723 58.133 1.00 0.00 WT4 O ATOM 50564 H1 TIP3 6269 59.139 79.575 58.117 1.00 0.00 WT4 H ATOM 50565 H2 TIP3 6269 60.446 78.925 58.518 1.00 0.00 WT4 H ATOM 50566 OH2 TIP3 6281 66.213 65.263 20.940 1.00 0.00 WT4 O ATOM 50567 H1 TIP3 6281 66.379 65.013 20.031 1.00 0.00 WT4 H ATOM 50568 H2 TIP3 6281 65.683 64.548 21.292 1.00 0.00 WT4 H ATOM 50569 OH2 TIP3 6283 70.493 4.665 55.510 1.00 0.00 WT4 O ATOM 50570 H1 TIP3 6283 71.340 4.655 55.956 1.00 0.00 WT4 H ATOM 50571 H2 TIP3 6283 70.661 4.245 54.666 1.00 0.00 WT4 H ATOM 50572 OH2 TIP3 6284 27.246 0.879 58.712 1.00 0.00 WT4 O ATOM 50573 H1 TIP3 6284 26.447 0.357 58.638 1.00 0.00 WT4 H ATOM 50574 H2 TIP3 6284 27.840 0.502 58.063 1.00 0.00 WT4 H ATOM 50575 OH2 TIP3 6285 33.353 59.097 66.687 1.00 0.00 WT4 O ATOM 50576 H1 TIP3 6285 33.953 58.723 67.333 1.00 0.00 WT4 H ATOM 50577 H2 TIP3 6285 33.314 60.028 66.907 1.00 0.00 WT4 H ATOM 50578 OH2 TIP3 6286 85.781 21.354 57.309 1.00 0.00 WT4 O ATOM 50579 H1 TIP3 6286 84.975 21.753 57.636 1.00 0.00 WT4 H ATOM 50580 H2 TIP3 6286 85.745 20.450 57.620 1.00 0.00 WT4 H ATOM 50581 OH2 TIP3 6288 31.570 62.968 1.248 1.00 0.00 WT4 O ATOM 50582 H1 TIP3 6288 32.107 62.743 2.007 1.00 0.00 WT4 H ATOM 50583 H2 TIP3 6288 30.673 62.775 1.523 1.00 0.00 WT4 H ATOM 50584 OH2 TIP3 6297 54.325 84.118 43.389 1.00 0.00 WT4 O ATOM 50585 H1 TIP3 6297 53.919 83.577 42.711 1.00 0.00 WT4 H ATOM 50586 H2 TIP3 6297 55.040 83.579 43.729 1.00 0.00 WT4 H ATOM 50587 OH2 TIP3 6300 77.347 82.732 37.109 1.00 0.00 WT4 O ATOM 50588 H1 TIP3 6300 77.458 83.325 36.365 1.00 0.00 WT4 H ATOM 50589 H2 TIP3 6300 77.952 83.063 37.772 1.00 0.00 WT4 H ATOM 50590 OH2 TIP3 6303 53.175 61.522 50.005 1.00 0.00 WT4 O ATOM 50591 H1 TIP3 6303 54.064 61.291 49.736 1.00 0.00 WT4 H ATOM 50592 H2 TIP3 6303 52.701 60.690 50.007 1.00 0.00 WT4 H ATOM 50593 OH2 TIP3 6305 52.959 12.738 34.490 1.00 0.00 WT4 O ATOM 50594 H1 TIP3 6305 53.664 12.133 34.261 1.00 0.00 WT4 H ATOM 50595 H2 TIP3 6305 53.374 13.387 35.058 1.00 0.00 WT4 H ATOM 50596 OH2 TIP3 6309 77.658 10.986 6.836 1.00 0.00 WT4 O ATOM 50597 H1 TIP3 6309 78.194 10.194 6.789 1.00 0.00 WT4 H ATOM 50598 H2 TIP3 6309 77.147 10.882 7.639 1.00 0.00 WT4 H ATOM 50599 OH2 TIP3 6311 85.438 9.103 47.529 1.00 0.00 WT4 O ATOM 50600 H1 TIP3 6311 84.509 8.984 47.333 1.00 0.00 WT4 H ATOM 50601 H2 TIP3 6311 85.726 9.785 46.922 1.00 0.00 WT4 H ATOM 50602 OH2 TIP3 6319 88.365 56.014 33.534 1.00 0.00 WT4 O ATOM 50603 H1 TIP3 6319 88.835 56.806 33.273 1.00 0.00 WT4 H ATOM 50604 H2 TIP3 6319 87.800 55.814 32.787 1.00 0.00 WT4 H ATOM 50605 OH2 TIP3 6321 56.596 14.699 -9.558 1.00 0.00 WT4 O ATOM 50606 H1 TIP3 6321 56.066 14.042 -9.105 1.00 0.00 WT4 H ATOM 50607 H2 TIP3 6321 57.499 14.472 -9.338 1.00 0.00 WT4 H ATOM 50608 OH2 TIP3 6322 70.225 95.820 -14.811 1.00 0.00 WT4 O ATOM 50609 H1 TIP3 6322 70.165 94.911 -14.516 1.00 0.00 WT4 H ATOM 50610 H2 TIP3 6322 69.354 96.183 -14.649 1.00 0.00 WT4 H ATOM 50611 OH2 TIP3 6323 55.565 18.807 -5.193 1.00 0.00 WT4 O ATOM 50612 H1 TIP3 6323 56.323 18.659 -4.627 1.00 0.00 WT4 H ATOM 50613 H2 TIP3 6323 55.626 18.123 -5.860 1.00 0.00 WT4 H ATOM 50614 OH2 TIP3 6325 33.434 55.592 36.345 1.00 0.00 WT4 O ATOM 50615 H1 TIP3 6325 33.767 55.706 35.455 1.00 0.00 WT4 H ATOM 50616 H2 TIP3 6325 32.494 55.756 36.273 1.00 0.00 WT4 H ATOM 50617 OH2 TIP3 6328 76.138 73.808 4.251 1.00 0.00 WT4 O ATOM 50618 H1 TIP3 6328 75.735 73.040 3.846 1.00 0.00 WT4 H ATOM 50619 H2 TIP3 6328 75.401 74.379 4.468 1.00 0.00 WT4 H ATOM 50620 OH2 TIP3 6329 75.704 24.929 -16.081 1.00 0.00 WT4 O ATOM 50621 H1 TIP3 6329 75.732 25.550 -15.354 1.00 0.00 WT4 H ATOM 50622 H2 TIP3 6329 76.329 24.246 -15.837 1.00 0.00 WT4 H ATOM 50623 OH2 TIP3 6345 54.085 83.438 50.928 1.00 0.00 WT4 O ATOM 50624 H1 TIP3 6345 54.345 83.195 50.039 1.00 0.00 WT4 H ATOM 50625 H2 TIP3 6345 53.842 82.610 51.342 1.00 0.00 WT4 H ATOM 50626 OH2 TIP3 6347 40.864 96.740 -0.290 1.00 0.00 WT4 O ATOM 50627 H1 TIP3 6347 40.929 95.801 -0.465 1.00 0.00 WT4 H ATOM 50628 H2 TIP3 6347 40.500 96.795 0.594 1.00 0.00 WT4 H ATOM 50629 OH2 TIP3 6348 85.524 39.503 64.125 1.00 0.00 WT4 O ATOM 50630 H1 TIP3 6348 84.933 40.255 64.089 1.00 0.00 WT4 H ATOM 50631 H2 TIP3 6348 85.982 39.518 63.285 1.00 0.00 WT4 H ATOM 50632 OH2 TIP3 6353 89.503 92.417 -9.792 1.00 0.00 WT4 O ATOM 50633 H1 TIP3 6353 88.648 92.315 -10.210 1.00 0.00 WT4 H ATOM 50634 H2 TIP3 6353 89.924 93.127 -10.276 1.00 0.00 WT4 H ATOM 50635 OH2 TIP3 6357 62.152 85.043 42.430 1.00 0.00 WT4 O ATOM 50636 H1 TIP3 6357 61.199 85.057 42.522 1.00 0.00 WT4 H ATOM 50637 H2 TIP3 6357 62.448 84.421 43.094 1.00 0.00 WT4 H ATOM 50638 OH2 TIP3 6364 61.063 15.216 -1.187 1.00 0.00 WT4 O ATOM 50639 H1 TIP3 6364 60.177 14.860 -1.258 1.00 0.00 WT4 H ATOM 50640 H2 TIP3 6364 61.429 14.795 -0.409 1.00 0.00 WT4 H ATOM 50641 OH2 TIP3 6366 24.348 51.985 9.663 1.00 0.00 WT4 O ATOM 50642 H1 TIP3 6366 24.784 52.175 8.833 1.00 0.00 WT4 H ATOM 50643 H2 TIP3 6366 23.467 52.345 9.560 1.00 0.00 WT4 H ATOM 50644 OH2 TIP3 6369 53.602 70.503 -13.403 1.00 0.00 WT4 O ATOM 50645 H1 TIP3 6369 53.761 69.592 -13.647 1.00 0.00 WT4 H ATOM 50646 H2 TIP3 6369 53.808 70.541 -12.469 1.00 0.00 WT4 H ATOM 50647 OH2 TIP3 6381 35.415 55.474 33.312 1.00 0.00 WT4 O ATOM 50648 H1 TIP3 6381 35.963 55.572 34.091 1.00 0.00 WT4 H ATOM 50649 H2 TIP3 6381 36.005 55.651 32.579 1.00 0.00 WT4 H ATOM 50650 OH2 TIP3 6388 58.889 40.973 42.252 1.00 0.00 WT4 O ATOM 50651 H1 TIP3 6388 59.844 40.975 42.323 1.00 0.00 WT4 H ATOM 50652 H2 TIP3 6388 58.692 41.691 41.650 1.00 0.00 WT4 H ATOM 50653 OH2 TIP3 6390 57.122 26.885 48.664 1.00 0.00 WT4 O ATOM 50654 H1 TIP3 6390 56.558 26.895 49.437 1.00 0.00 WT4 H ATOM 50655 H2 TIP3 6390 57.953 26.527 48.978 1.00 0.00 WT4 H ATOM 50656 OH2 TIP3 6403 83.234 70.311 62.221 1.00 0.00 WT4 O ATOM 50657 H1 TIP3 6403 83.065 70.195 63.156 1.00 0.00 WT4 H ATOM 50658 H2 TIP3 6403 82.368 70.281 61.814 1.00 0.00 WT4 H ATOM 50659 OH2 TIP3 6417 79.559 95.878 5.595 1.00 0.00 WT4 O ATOM 50660 H1 TIP3 6417 79.286 95.285 4.895 1.00 0.00 WT4 H ATOM 50661 H2 TIP3 6417 79.960 96.618 5.139 1.00 0.00 WT4 H ATOM 50662 OH2 TIP3 6428 56.693 96.138 53.534 1.00 0.00 WT4 O ATOM 50663 H1 TIP3 6428 56.997 95.261 53.298 1.00 0.00 WT4 H ATOM 50664 H2 TIP3 6428 57.442 96.707 53.360 1.00 0.00 WT4 H ATOM 50665 OH2 TIP3 6429 63.772 29.394 53.913 1.00 0.00 WT4 O ATOM 50666 H1 TIP3 6429 63.044 29.553 53.312 1.00 0.00 WT4 H ATOM 50667 H2 TIP3 6429 64.501 29.144 53.345 1.00 0.00 WT4 H ATOM 50668 OH2 TIP3 6492 21.138 19.321 -4.766 1.00 0.00 WT4 O ATOM 50669 H1 TIP3 6492 20.936 19.264 -3.832 1.00 0.00 WT4 H ATOM 50670 H2 TIP3 6492 22.087 19.213 -4.813 1.00 0.00 WT4 H ATOM 50671 OH2 TIP3 6499 59.035 91.805 45.753 1.00 0.00 WT4 O ATOM 50672 H1 TIP3 6499 59.220 92.742 45.827 1.00 0.00 WT4 H ATOM 50673 H2 TIP3 6499 58.134 91.763 45.434 1.00 0.00 WT4 H ATOM 50674 OH2 TIP3 6536 54.440 15.716 57.028 1.00 0.00 WT4 O ATOM 50675 H1 TIP3 6536 53.491 15.618 57.100 1.00 0.00 WT4 H ATOM 50676 H2 TIP3 6536 54.793 14.883 57.341 1.00 0.00 WT4 H ATOM 50677 OH2 TIP3 6551 61.374 41.354 41.591 1.00 0.00 WT4 O ATOM 50678 H1 TIP3 6551 61.277 41.810 40.755 1.00 0.00 WT4 H ATOM 50679 H2 TIP3 6551 61.779 40.517 41.362 1.00 0.00 WT4 H ATOM 50680 OH2 TIP3 6555 27.711 92.895 10.876 1.00 0.00 WT4 O ATOM 50681 H1 TIP3 6555 28.358 92.583 11.510 1.00 0.00 WT4 H ATOM 50682 H2 TIP3 6555 26.925 93.058 11.397 1.00 0.00 WT4 H ATOM 50683 OH2 TIP3 6575 86.149 40.554 -17.416 1.00 0.00 WT4 O ATOM 50684 H1 TIP3 6575 86.287 39.766 -17.941 1.00 0.00 WT4 H ATOM 50685 H2 TIP3 6575 85.439 40.323 -16.817 1.00 0.00 WT4 H ATOM 50686 OH2 TIP3 6577 37.783 2.295 19.174 1.00 0.00 WT4 O ATOM 50687 H1 TIP3 6577 37.703 1.452 18.727 1.00 0.00 WT4 H ATOM 50688 H2 TIP3 6577 36.891 2.503 19.454 1.00 0.00 WT4 H ATOM 50689 OH2 TIP3 6579 79.124 62.888 51.189 1.00 0.00 WT4 O ATOM 50690 H1 TIP3 6579 79.389 61.968 51.203 1.00 0.00 WT4 H ATOM 50691 H2 TIP3 6579 78.177 62.866 51.333 1.00 0.00 WT4 H ATOM 50692 OH2 TIP3 6595 72.446 28.648 39.788 1.00 0.00 WT4 O ATOM 50693 H1 TIP3 6595 72.025 29.078 40.532 1.00 0.00 WT4 H ATOM 50694 H2 TIP3 6595 71.754 28.116 39.394 1.00 0.00 WT4 H ATOM 50695 OH2 TIP3 6597 43.753 92.759 48.008 1.00 0.00 WT4 O ATOM 50696 H1 TIP3 6597 43.289 93.354 47.419 1.00 0.00 WT4 H ATOM 50697 H2 TIP3 6597 43.911 91.975 47.481 1.00 0.00 WT4 H ATOM 50698 OH2 TIP3 6602 27.851 94.652 -13.263 1.00 0.00 WT4 O ATOM 50699 H1 TIP3 6602 28.279 94.245 -12.510 1.00 0.00 WT4 H ATOM 50700 H2 TIP3 6602 28.118 95.570 -13.224 1.00 0.00 WT4 H ATOM 50701 OH2 TIP3 6603 66.884 90.480 58.579 1.00 0.00 WT4 O ATOM 50702 H1 TIP3 6603 66.027 90.895 58.487 1.00 0.00 WT4 H ATOM 50703 H2 TIP3 6603 67.413 91.124 59.050 1.00 0.00 WT4 H ATOM 50704 OH2 TIP3 6615 61.938 43.546 -0.873 1.00 0.00 WT4 O ATOM 50705 H1 TIP3 6615 62.529 44.231 -0.560 1.00 0.00 WT4 H ATOM 50706 H2 TIP3 6615 61.246 43.507 -0.214 1.00 0.00 WT4 H ATOM 50707 OH2 TIP3 6616 73.804 44.486 63.314 1.00 0.00 WT4 O ATOM 50708 H1 TIP3 6616 73.493 45.257 63.790 1.00 0.00 WT4 H ATOM 50709 H2 TIP3 6616 74.453 44.829 62.700 1.00 0.00 WT4 H ATOM 50710 OH2 TIP3 6618 52.223 90.828 0.335 1.00 0.00 WT4 O ATOM 50711 H1 TIP3 6618 52.030 90.246 1.070 1.00 0.00 WT4 H ATOM 50712 H2 TIP3 6618 52.122 90.277 -0.441 1.00 0.00 WT4 H ATOM 50713 OH2 TIP3 6620 79.515 80.717 56.983 1.00 0.00 WT4 O ATOM 50714 H1 TIP3 6620 79.433 81.568 57.415 1.00 0.00 WT4 H ATOM 50715 H2 TIP3 6620 78.617 80.390 56.925 1.00 0.00 WT4 H ATOM 50716 OH2 TIP3 6621 30.312 47.793 57.505 1.00 0.00 WT4 O ATOM 50717 H1 TIP3 6621 29.789 47.302 56.871 1.00 0.00 WT4 H ATOM 50718 H2 TIP3 6621 29.950 48.679 57.479 1.00 0.00 WT4 H ATOM 50719 OH2 TIP3 6623 82.799 81.792 64.262 1.00 0.00 WT4 O ATOM 50720 H1 TIP3 6623 82.401 82.320 63.570 1.00 0.00 WT4 H ATOM 50721 H2 TIP3 6623 82.122 81.728 64.935 1.00 0.00 WT4 H ATOM 50722 OH2 TIP3 6637 22.398 58.015 -12.810 1.00 0.00 WT4 O ATOM 50723 H1 TIP3 6637 21.990 57.337 -13.349 1.00 0.00 WT4 H ATOM 50724 H2 TIP3 6637 23.264 58.140 -13.198 1.00 0.00 WT4 H ATOM 50725 OH2 TIP3 6639 69.487 79.867 66.934 1.00 0.00 WT4 O ATOM 50726 H1 TIP3 6639 69.502 80.280 66.071 1.00 0.00 WT4 H ATOM 50727 H2 TIP3 6639 70.332 80.092 67.323 1.00 0.00 WT4 H ATOM 50728 OH2 TIP3 6640 85.351 61.989 -7.672 1.00 0.00 WT4 O ATOM 50729 H1 TIP3 6640 85.341 62.893 -7.985 1.00 0.00 WT4 H ATOM 50730 H2 TIP3 6640 86.202 61.894 -7.243 1.00 0.00 WT4 H ATOM 50731 OH2 TIP3 6641 26.106 65.628 -10.597 1.00 0.00 WT4 O ATOM 50732 H1 TIP3 6641 26.361 66.221 -11.304 1.00 0.00 WT4 H ATOM 50733 H2 TIP3 6641 25.911 66.205 -9.859 1.00 0.00 WT4 H ATOM 50734 OH2 TIP3 6645 89.106 37.772 62.398 1.00 0.00 WT4 O ATOM 50735 H1 TIP3 6645 89.367 37.822 63.318 1.00 0.00 WT4 H ATOM 50736 H2 TIP3 6645 89.593 38.476 61.971 1.00 0.00 WT4 H ATOM 50737 OH2 TIP3 6659 36.186 59.827 24.047 1.00 0.00 WT4 O ATOM 50738 H1 TIP3 6659 35.606 60.443 23.599 1.00 0.00 WT4 H ATOM 50739 H2 TIP3 6659 36.729 60.376 24.612 1.00 0.00 WT4 H ATOM 50740 OH2 TIP3 6660 71.200 70.602 22.142 1.00 0.00 WT4 O ATOM 50741 H1 TIP3 6660 70.663 70.188 22.817 1.00 0.00 WT4 H ATOM 50742 H2 TIP3 6660 70.852 70.263 21.317 1.00 0.00 WT4 H ATOM 50743 OH2 TIP3 6661 22.247 0.224 51.325 1.00 0.00 WT4 O ATOM 50744 H1 TIP3 6661 21.420 -0.125 51.658 1.00 0.00 WT4 H ATOM 50745 H2 TIP3 6661 22.215 0.058 50.383 1.00 0.00 WT4 H ATOM 50746 OH2 TIP3 6662 29.488 25.115 27.735 1.00 0.00 WT4 O ATOM 50747 H1 TIP3 6662 30.105 24.771 27.089 1.00 0.00 WT4 H ATOM 50748 H2 TIP3 6662 29.181 24.342 28.209 1.00 0.00 WT4 H ATOM 50749 OH2 TIP3 6664 78.635 31.882 14.367 1.00 0.00 WT4 O ATOM 50750 H1 TIP3 6664 78.999 31.130 13.900 1.00 0.00 WT4 H ATOM 50751 H2 TIP3 6664 79.302 32.108 15.016 1.00 0.00 WT4 H ATOM 50752 OH2 TIP3 6671 78.632 68.581 62.420 1.00 0.00 WT4 O ATOM 50753 H1 TIP3 6671 78.697 67.652 62.199 1.00 0.00 WT4 H ATOM 50754 H2 TIP3 6671 77.983 68.616 63.123 1.00 0.00 WT4 H ATOM 50755 OH2 TIP3 6679 76.781 21.875 4.788 1.00 0.00 WT4 O ATOM 50756 H1 TIP3 6679 77.655 21.701 5.137 1.00 0.00 WT4 H ATOM 50757 H2 TIP3 6679 76.882 21.797 3.839 1.00 0.00 WT4 H ATOM 50758 OH2 TIP3 6681 24.880 6.122 4.747 1.00 0.00 WT4 O ATOM 50759 H1 TIP3 6681 25.195 5.760 3.919 1.00 0.00 WT4 H ATOM 50760 H2 TIP3 6681 24.761 5.358 5.312 1.00 0.00 WT4 H ATOM 50761 OH2 TIP3 6684 33.482 6.083 31.453 1.00 0.00 WT4 O ATOM 50762 H1 TIP3 6684 32.713 6.306 31.978 1.00 0.00 WT4 H ATOM 50763 H2 TIP3 6684 33.360 6.563 30.634 1.00 0.00 WT4 H ATOM 50764 OH2 TIP3 6686 77.131 68.296 28.316 1.00 0.00 WT4 O ATOM 50765 H1 TIP3 6686 77.657 67.698 27.785 1.00 0.00 WT4 H ATOM 50766 H2 TIP3 6686 76.267 67.886 28.356 1.00 0.00 WT4 H ATOM 50767 OH2 TIP3 6698 60.154 52.181 64.265 1.00 0.00 WT4 O ATOM 50768 H1 TIP3 6698 60.849 52.697 64.674 1.00 0.00 WT4 H ATOM 50769 H2 TIP3 6698 59.463 52.143 64.926 1.00 0.00 WT4 H ATOM 50770 OH2 TIP3 6700 76.861 8.611 8.651 1.00 0.00 WT4 O ATOM 50771 H1 TIP3 6700 77.690 8.649 9.128 1.00 0.00 WT4 H ATOM 50772 H2 TIP3 6700 77.110 8.698 7.731 1.00 0.00 WT4 H ATOM 50773 OH2 TIP3 6701 80.960 62.406 -4.905 1.00 0.00 WT4 O ATOM 50774 H1 TIP3 6701 81.440 61.780 -4.363 1.00 0.00 WT4 H ATOM 50775 H2 TIP3 6701 81.609 63.072 -5.134 1.00 0.00 WT4 H ATOM 50776 OH2 TIP3 6703 84.879 50.960 48.300 1.00 0.00 WT4 O ATOM 50777 H1 TIP3 6703 84.074 51.266 47.883 1.00 0.00 WT4 H ATOM 50778 H2 TIP3 6703 84.603 50.219 48.841 1.00 0.00 WT4 H ATOM 50779 OH2 TIP3 6704 21.573 89.179 34.806 1.00 0.00 WT4 O ATOM 50780 H1 TIP3 6704 20.715 89.086 34.392 1.00 0.00 WT4 H ATOM 50781 H2 TIP3 6704 22.125 88.536 34.362 1.00 0.00 WT4 H ATOM 50782 OH2 TIP3 6705 54.513 88.890 -7.548 1.00 0.00 WT4 O ATOM 50783 H1 TIP3 6705 54.029 88.394 -8.208 1.00 0.00 WT4 H ATOM 50784 H2 TIP3 6705 53.843 89.184 -6.930 1.00 0.00 WT4 H ATOM 50785 OH2 TIP3 6706 41.400 84.389 49.665 1.00 0.00 WT4 O ATOM 50786 H1 TIP3 6706 40.500 84.686 49.800 1.00 0.00 WT4 H ATOM 50787 H2 TIP3 6706 41.596 83.859 50.438 1.00 0.00 WT4 H ATOM 50788 OH2 TIP3 6721 45.987 37.662 38.923 1.00 0.00 WT4 O ATOM 50789 H1 TIP3 6721 45.356 37.269 38.319 1.00 0.00 WT4 H ATOM 50790 H2 TIP3 6721 46.830 37.576 38.479 1.00 0.00 WT4 H ATOM 50791 OH2 TIP3 6722 54.890 27.849 31.675 1.00 0.00 WT4 O ATOM 50792 H1 TIP3 6722 55.015 27.164 32.332 1.00 0.00 WT4 H ATOM 50793 H2 TIP3 6722 54.685 27.375 30.870 1.00 0.00 WT4 H ATOM 50794 OH2 TIP3 6726 78.886 27.966 -1.939 1.00 0.00 WT4 O ATOM 50795 H1 TIP3 6726 78.600 28.053 -2.849 1.00 0.00 WT4 H ATOM 50796 H2 TIP3 6726 78.517 27.131 -1.650 1.00 0.00 WT4 H ATOM 50797 OH2 TIP3 6727 84.441 4.119 42.579 1.00 0.00 WT4 O ATOM 50798 H1 TIP3 6727 84.641 3.221 42.314 1.00 0.00 WT4 H ATOM 50799 H2 TIP3 6727 85.245 4.431 42.994 1.00 0.00 WT4 H ATOM 50800 OH2 TIP3 6730 43.231 94.584 46.079 1.00 0.00 WT4 O ATOM 50801 H1 TIP3 6730 42.762 95.418 46.117 1.00 0.00 WT4 H ATOM 50802 H2 TIP3 6730 44.157 94.830 46.082 1.00 0.00 WT4 H ATOM 50803 OH2 TIP3 6731 63.521 7.662 15.917 1.00 0.00 WT4 O ATOM 50804 H1 TIP3 6731 64.474 7.669 16.004 1.00 0.00 WT4 H ATOM 50805 H2 TIP3 6731 63.366 7.665 14.973 1.00 0.00 WT4 H ATOM 50806 OH2 TIP3 6740 26.884 3.187 60.766 1.00 0.00 WT4 O ATOM 50807 H1 TIP3 6740 27.186 2.305 60.550 1.00 0.00 WT4 H ATOM 50808 H2 TIP3 6740 26.916 3.225 61.722 1.00 0.00 WT4 H ATOM 50809 OH2 TIP3 6742 79.091 79.675 8.286 1.00 0.00 WT4 O ATOM 50810 H1 TIP3 6742 79.854 79.250 7.894 1.00 0.00 WT4 H ATOM 50811 H2 TIP3 6742 78.787 79.058 8.951 1.00 0.00 WT4 H ATOM 50812 OH2 TIP3 6743 30.647 83.561 18.441 1.00 0.00 WT4 O ATOM 50813 H1 TIP3 6743 29.879 83.893 17.976 1.00 0.00 WT4 H ATOM 50814 H2 TIP3 6743 30.296 82.913 19.051 1.00 0.00 WT4 H ATOM 50815 OH2 TIP3 6745 83.879 54.066 52.046 1.00 0.00 WT4 O ATOM 50816 H1 TIP3 6745 84.219 54.534 52.808 1.00 0.00 WT4 H ATOM 50817 H2 TIP3 6745 84.618 54.025 51.439 1.00 0.00 WT4 H ATOM 50818 OH2 TIP3 6750 74.917 17.460 -5.305 1.00 0.00 WT4 O ATOM 50819 H1 TIP3 6750 74.676 17.373 -4.382 1.00 0.00 WT4 H ATOM 50820 H2 TIP3 6750 74.095 17.336 -5.780 1.00 0.00 WT4 H ATOM 50821 OH2 TIP3 6762 62.914 68.480 -7.885 1.00 0.00 WT4 O ATOM 50822 H1 TIP3 6762 63.364 67.636 -7.843 1.00 0.00 WT4 H ATOM 50823 H2 TIP3 6762 62.745 68.707 -6.971 1.00 0.00 WT4 H ATOM 50824 OH2 TIP3 6763 89.485 8.240 -16.155 1.00 0.00 WT4 O ATOM 50825 H1 TIP3 6763 89.145 8.965 -15.629 1.00 0.00 WT4 H ATOM 50826 H2 TIP3 6763 89.329 8.507 -17.061 1.00 0.00 WT4 H ATOM 50827 OH2 TIP3 6765 35.236 87.401 -18.519 1.00 0.00 WT4 O ATOM 50828 H1 TIP3 6765 35.539 88.282 -18.741 1.00 0.00 WT4 H ATOM 50829 H2 TIP3 6765 35.624 86.838 -19.188 1.00 0.00 WT4 H ATOM 50830 OH2 TIP3 6767 20.865 75.933 17.937 1.00 0.00 WT4 O ATOM 50831 H1 TIP3 6767 20.400 75.307 17.383 1.00 0.00 WT4 H ATOM 50832 H2 TIP3 6767 21.513 75.406 18.404 1.00 0.00 WT4 H ATOM 50833 OH2 TIP3 6769 57.814 83.955 20.008 1.00 0.00 WT4 O ATOM 50834 H1 TIP3 6769 56.986 83.729 19.584 1.00 0.00 WT4 H ATOM 50835 H2 TIP3 6769 57.868 83.363 20.758 1.00 0.00 WT4 H ATOM 50836 OH2 TIP3 6770 57.470 38.619 42.237 1.00 0.00 WT4 O ATOM 50837 H1 TIP3 6770 58.075 37.884 42.334 1.00 0.00 WT4 H ATOM 50838 H2 TIP3 6770 58.035 39.391 42.200 1.00 0.00 WT4 H ATOM 50839 OH2 TIP3 6771 21.028 91.228 -0.357 1.00 0.00 WT4 O ATOM 50840 H1 TIP3 6771 20.876 90.619 0.365 1.00 0.00 WT4 H ATOM 50841 H2 TIP3 6771 20.234 91.761 -0.393 1.00 0.00 WT4 H ATOM 50842 OH2 TIP3 6786 69.615 51.684 31.280 1.00 0.00 WT4 O ATOM 50843 H1 TIP3 6786 69.912 50.798 31.070 1.00 0.00 WT4 H ATOM 50844 H2 TIP3 6786 69.095 51.949 30.521 1.00 0.00 WT4 H ATOM 50845 OH2 TIP3 6788 79.570 4.570 42.110 1.00 0.00 WT4 O ATOM 50846 H1 TIP3 6788 80.395 4.789 41.677 1.00 0.00 WT4 H ATOM 50847 H2 TIP3 6788 78.951 4.436 41.392 1.00 0.00 WT4 H ATOM 50848 OH2 TIP3 6791 30.254 0.302 55.201 1.00 0.00 WT4 O ATOM 50849 H1 TIP3 6791 31.040 -0.193 55.435 1.00 0.00 WT4 H ATOM 50850 H2 TIP3 6791 30.545 0.905 54.518 1.00 0.00 WT4 H ATOM 50851 OH2 TIP3 6792 38.897 29.659 -11.390 1.00 0.00 WT4 O ATOM 50852 H1 TIP3 6792 38.554 28.767 -11.439 1.00 0.00 WT4 H ATOM 50853 H2 TIP3 6792 38.940 29.848 -10.452 1.00 0.00 WT4 H ATOM 50854 OH2 TIP3 6803 24.756 32.847 18.381 1.00 0.00 WT4 O ATOM 50855 H1 TIP3 6803 24.965 33.662 17.923 1.00 0.00 WT4 H ATOM 50856 H2 TIP3 6803 24.015 33.071 18.943 1.00 0.00 WT4 H ATOM 50857 OH2 TIP3 6813 66.018 57.579 -11.929 1.00 0.00 WT4 O ATOM 50858 H1 TIP3 6813 65.200 57.426 -11.457 1.00 0.00 WT4 H ATOM 50859 H2 TIP3 6813 66.697 57.232 -11.352 1.00 0.00 WT4 H ATOM 50860 OH2 TIP3 6825 21.287 -0.164 6.953 1.00 0.00 WT4 O ATOM 50861 H1 TIP3 6825 20.971 0.720 7.139 1.00 0.00 WT4 H ATOM 50862 H2 TIP3 6825 22.158 -0.033 6.577 1.00 0.00 WT4 H ATOM 50863 OH2 TIP3 6826 47.611 1.223 -7.567 1.00 0.00 WT4 O ATOM 50864 H1 TIP3 6826 46.797 1.542 -7.179 1.00 0.00 WT4 H ATOM 50865 H2 TIP3 6826 48.233 1.941 -7.445 1.00 0.00 WT4 H ATOM 50866 OH2 TIP3 6827 81.191 87.623 -3.143 1.00 0.00 WT4 O ATOM 50867 H1 TIP3 6827 81.320 87.133 -3.955 1.00 0.00 WT4 H ATOM 50868 H2 TIP3 6827 81.330 88.537 -3.389 1.00 0.00 WT4 H ATOM 50869 OH2 TIP3 6853 40.365 2.459 23.256 1.00 0.00 WT4 O ATOM 50870 H1 TIP3 6853 40.418 2.213 22.333 1.00 0.00 WT4 H ATOM 50871 H2 TIP3 6853 39.504 2.866 23.348 1.00 0.00 WT4 H ATOM 50872 OH2 TIP3 6855 85.261 7.213 40.618 1.00 0.00 WT4 O ATOM 50873 H1 TIP3 6855 85.778 6.413 40.522 1.00 0.00 WT4 H ATOM 50874 H2 TIP3 6855 85.512 7.751 39.867 1.00 0.00 WT4 H ATOM 50875 OH2 TIP3 6872 31.812 72.904 57.933 1.00 0.00 WT4 O ATOM 50876 H1 TIP3 6872 31.448 73.047 57.060 1.00 0.00 WT4 H ATOM 50877 H2 TIP3 6872 32.141 73.762 58.200 1.00 0.00 WT4 H ATOM 50878 OH2 TIP3 6896 67.769 57.052 25.311 1.00 0.00 WT4 O ATOM 50879 H1 TIP3 6896 67.193 57.580 24.759 1.00 0.00 WT4 H ATOM 50880 H2 TIP3 6896 67.414 57.152 26.194 1.00 0.00 WT4 H ATOM 50881 OH2 TIP3 6916 83.556 38.501 46.119 1.00 0.00 WT4 O ATOM 50882 H1 TIP3 6916 84.240 37.998 45.678 1.00 0.00 WT4 H ATOM 50883 H2 TIP3 6916 83.903 38.660 46.997 1.00 0.00 WT4 H ATOM 50884 OH2 TIP3 6952 50.101 88.858 57.833 1.00 0.00 WT4 O ATOM 50885 H1 TIP3 6952 49.269 89.283 57.621 1.00 0.00 WT4 H ATOM 50886 H2 TIP3 6952 50.353 88.408 57.026 1.00 0.00 WT4 H ATOM 50887 OH2 TIP3 6953 37.733 12.619 46.641 1.00 0.00 WT4 O ATOM 50888 H1 TIP3 6953 37.445 13.227 45.960 1.00 0.00 WT4 H ATOM 50889 H2 TIP3 6953 38.628 12.388 46.394 1.00 0.00 WT4 H ATOM 50890 OH2 TIP3 6955 42.254 70.257 10.788 1.00 0.00 WT4 O ATOM 50891 H1 TIP3 6955 43.032 70.748 10.524 1.00 0.00 WT4 H ATOM 50892 H2 TIP3 6955 42.097 70.525 11.694 1.00 0.00 WT4 H ATOM 50893 OH2 TIP3 6975 31.042 83.642 49.469 1.00 0.00 WT4 O ATOM 50894 H1 TIP3 6975 30.831 83.355 48.580 1.00 0.00 WT4 H ATOM 50895 H2 TIP3 6975 30.960 84.595 49.439 1.00 0.00 WT4 H ATOM 50896 OH2 TIP3 7017 87.584 88.926 23.171 1.00 0.00 WT4 O ATOM 50897 H1 TIP3 7017 86.731 88.663 23.518 1.00 0.00 WT4 H ATOM 50898 H2 TIP3 7017 87.794 88.258 22.519 1.00 0.00 WT4 H ATOM 50899 OH2 TIP3 7019 70.951 72.277 48.442 1.00 0.00 WT4 O ATOM 50900 H1 TIP3 7019 70.767 72.513 47.533 1.00 0.00 WT4 H ATOM 50901 H2 TIP3 7019 70.091 72.252 48.862 1.00 0.00 WT4 H ATOM 50902 OH2 TIP3 7020 87.751 64.870 13.795 1.00 0.00 WT4 O ATOM 50903 H1 TIP3 7020 88.321 64.177 13.463 1.00 0.00 WT4 H ATOM 50904 H2 TIP3 7020 87.787 65.553 13.125 1.00 0.00 WT4 H ATOM 50905 OH2 TIP3 7021 48.760 5.435 14.749 1.00 0.00 WT4 O ATOM 50906 H1 TIP3 7021 48.506 6.172 15.305 1.00 0.00 WT4 H ATOM 50907 H2 TIP3 7021 48.030 5.333 14.138 1.00 0.00 WT4 H ATOM 50908 OH2 TIP3 7023 72.836 57.939 -1.109 1.00 0.00 WT4 O ATOM 50909 H1 TIP3 7023 72.590 57.416 -0.346 1.00 0.00 WT4 H ATOM 50910 H2 TIP3 7023 73.111 57.297 -1.763 1.00 0.00 WT4 H ATOM 50911 OH2 TIP3 7040 59.425 91.637 57.891 1.00 0.00 WT4 O ATOM 50912 H1 TIP3 7040 59.716 90.874 57.392 1.00 0.00 WT4 H ATOM 50913 H2 TIP3 7040 58.855 92.114 57.288 1.00 0.00 WT4 H ATOM 50914 OH2 TIP3 7041 38.058 9.349 57.153 1.00 0.00 WT4 O ATOM 50915 H1 TIP3 7041 38.059 9.039 56.247 1.00 0.00 WT4 H ATOM 50916 H2 TIP3 7041 37.171 9.684 57.290 1.00 0.00 WT4 H ATOM 50917 OH2 TIP3 7042 83.119 60.118 56.742 1.00 0.00 WT4 O ATOM 50918 H1 TIP3 7042 83.976 60.335 57.109 1.00 0.00 WT4 H ATOM 50919 H2 TIP3 7042 82.508 60.697 57.198 1.00 0.00 WT4 H ATOM 50920 OH2 TIP3 7043 38.453 14.247 6.687 1.00 0.00 WT4 O ATOM 50921 H1 TIP3 7043 38.515 15.120 6.298 1.00 0.00 WT4 H ATOM 50922 H2 TIP3 7043 37.879 13.761 6.095 1.00 0.00 WT4 H ATOM 50923 OH2 TIP3 7052 37.395 46.927 9.557 1.00 0.00 WT4 O ATOM 50924 H1 TIP3 7052 36.758 47.035 10.264 1.00 0.00 WT4 H ATOM 50925 H2 TIP3 7052 38.230 47.188 9.945 1.00 0.00 WT4 H ATOM 50926 OH2 TIP3 7058 30.211 54.803 58.964 1.00 0.00 WT4 O ATOM 50927 H1 TIP3 7058 29.911 54.057 59.484 1.00 0.00 WT4 H ATOM 50928 H2 TIP3 7058 30.480 55.454 59.611 1.00 0.00 WT4 H ATOM 50929 OH2 TIP3 7059 59.212 23.105 63.433 1.00 0.00 WT4 O ATOM 50930 H1 TIP3 7059 58.502 22.474 63.553 1.00 0.00 WT4 H ATOM 50931 H2 TIP3 7059 58.825 23.803 62.905 1.00 0.00 WT4 H ATOM 50932 OH2 TIP3 7062 63.622 77.659 -3.314 1.00 0.00 WT4 O ATOM 50933 H1 TIP3 7062 62.871 78.197 -3.064 1.00 0.00 WT4 H ATOM 50934 H2 TIP3 7062 63.674 76.989 -2.633 1.00 0.00 WT4 H ATOM 50935 OH2 TIP3 7063 79.776 92.896 21.278 1.00 0.00 WT4 O ATOM 50936 H1 TIP3 7063 79.145 93.258 21.901 1.00 0.00 WT4 H ATOM 50937 H2 TIP3 7063 79.751 93.499 20.535 1.00 0.00 WT4 H ATOM 50938 OH2 TIP3 7065 60.324 8.375 53.402 1.00 0.00 WT4 O ATOM 50939 H1 TIP3 7065 60.612 7.916 52.612 1.00 0.00 WT4 H ATOM 50940 H2 TIP3 7065 61.010 8.199 54.045 1.00 0.00 WT4 H ATOM 50941 OH2 TIP3 7076 41.397 56.327 66.467 1.00 0.00 WT4 O ATOM 50942 H1 TIP3 7076 41.016 56.234 65.594 1.00 0.00 WT4 H ATOM 50943 H2 TIP3 7076 42.305 56.584 66.307 1.00 0.00 WT4 H ATOM 50944 OH2 TIP3 7078 50.353 95.763 67.156 1.00 0.00 WT4 O ATOM 50945 H1 TIP3 7078 50.794 95.533 67.974 1.00 0.00 WT4 H ATOM 50946 H2 TIP3 7078 51.059 95.829 66.513 1.00 0.00 WT4 H ATOM 50947 OH2 TIP3 7081 25.943 83.947 51.339 1.00 0.00 WT4 O ATOM 50948 H1 TIP3 7081 26.200 83.523 52.157 1.00 0.00 WT4 H ATOM 50949 H2 TIP3 7081 26.466 84.749 51.310 1.00 0.00 WT4 H ATOM 50950 OH2 TIP3 7100 88.991 91.030 24.290 1.00 0.00 WT4 O ATOM 50951 H1 TIP3 7100 88.487 90.284 23.964 1.00 0.00 WT4 H ATOM 50952 H2 TIP3 7100 88.958 90.943 25.243 1.00 0.00 WT4 H ATOM 50953 OH2 TIP3 7101 71.231 20.470 65.713 1.00 0.00 WT4 O ATOM 50954 H1 TIP3 7101 70.341 20.484 65.362 1.00 0.00 WT4 H ATOM 50955 H2 TIP3 7101 71.731 19.953 65.081 1.00 0.00 WT4 H ATOM 50956 OH2 TIP3 7102 30.516 30.952 5.047 1.00 0.00 WT4 O ATOM 50957 H1 TIP3 7102 30.811 30.174 5.520 1.00 0.00 WT4 H ATOM 50958 H2 TIP3 7102 30.369 30.647 4.152 1.00 0.00 WT4 H ATOM 50959 OH2 TIP3 7104 86.749 0.592 -17.103 1.00 0.00 WT4 O ATOM 50960 H1 TIP3 7104 86.770 1.443 -17.541 1.00 0.00 WT4 H ATOM 50961 H2 TIP3 7104 87.379 0.057 -17.585 1.00 0.00 WT4 H ATOM 50962 OH2 TIP3 7121 29.081 64.154 63.520 1.00 0.00 WT4 O ATOM 50963 H1 TIP3 7121 28.561 63.365 63.368 1.00 0.00 WT4 H ATOM 50964 H2 TIP3 7121 28.928 64.367 64.441 1.00 0.00 WT4 H ATOM 50965 OH2 TIP3 7122 21.139 26.755 38.823 1.00 0.00 WT4 O ATOM 50966 H1 TIP3 7122 20.660 26.713 37.996 1.00 0.00 WT4 H ATOM 50967 H2 TIP3 7122 21.448 27.659 38.876 1.00 0.00 WT4 H ATOM 50968 OH2 TIP3 7123 46.486 91.145 49.323 1.00 0.00 WT4 O ATOM 50969 H1 TIP3 7123 47.032 90.871 50.060 1.00 0.00 WT4 H ATOM 50970 H2 TIP3 7123 46.255 90.330 48.879 1.00 0.00 WT4 H ATOM 50971 OH2 TIP3 7128 89.459 77.400 -4.910 1.00 0.00 WT4 O ATOM 50972 H1 TIP3 7128 88.859 77.064 -4.245 1.00 0.00 WT4 H ATOM 50973 H2 TIP3 7128 89.068 78.228 -5.189 1.00 0.00 WT4 H ATOM 50974 OH2 TIP3 7141 79.596 70.661 -4.305 1.00 0.00 WT4 O ATOM 50975 H1 TIP3 7141 79.459 71.205 -5.081 1.00 0.00 WT4 H ATOM 50976 H2 TIP3 7141 79.600 69.764 -4.638 1.00 0.00 WT4 H ATOM 50977 OH2 TIP3 7142 88.208 5.836 -16.510 1.00 0.00 WT4 O ATOM 50978 H1 TIP3 7142 87.807 5.579 -15.680 1.00 0.00 WT4 H ATOM 50979 H2 TIP3 7142 88.598 6.692 -16.334 1.00 0.00 WT4 H ATOM 50980 OH2 TIP3 7143 54.323 15.114 11.926 1.00 0.00 WT4 O ATOM 50981 H1 TIP3 7143 53.751 15.850 11.706 1.00 0.00 WT4 H ATOM 50982 H2 TIP3 7143 54.999 15.496 12.487 1.00 0.00 WT4 H ATOM 50983 OH2 TIP3 7144 45.755 84.718 10.923 1.00 0.00 WT4 O ATOM 50984 H1 TIP3 7144 46.628 84.847 10.553 1.00 0.00 WT4 H ATOM 50985 H2 TIP3 7144 45.522 83.821 10.683 1.00 0.00 WT4 H ATOM 50986 OH2 TIP3 7145 51.218 68.133 -3.186 1.00 0.00 WT4 O ATOM 50987 H1 TIP3 7145 51.587 68.880 -2.716 1.00 0.00 WT4 H ATOM 50988 H2 TIP3 7145 50.367 67.986 -2.775 1.00 0.00 WT4 H ATOM 50989 OH2 TIP3 7146 58.878 82.651 25.952 1.00 0.00 WT4 O ATOM 50990 H1 TIP3 7146 59.756 82.830 26.287 1.00 0.00 WT4 H ATOM 50991 H2 TIP3 7146 58.326 83.323 26.353 1.00 0.00 WT4 H ATOM 50992 OH2 TIP3 7147 54.855 89.043 16.261 1.00 0.00 WT4 O ATOM 50993 H1 TIP3 7147 54.756 88.516 15.468 1.00 0.00 WT4 H ATOM 50994 H2 TIP3 7147 55.163 89.893 15.947 1.00 0.00 WT4 H ATOM 50995 OH2 TIP3 7148 22.800 83.086 44.163 1.00 0.00 WT4 O ATOM 50996 H1 TIP3 7148 23.419 82.468 44.553 1.00 0.00 WT4 H ATOM 50997 H2 TIP3 7148 22.780 82.852 43.235 1.00 0.00 WT4 H ATOM 50998 OH2 TIP3 7161 90.096 60.261 66.993 1.00 0.00 WT4 O ATOM 50999 H1 TIP3 7161 90.580 59.460 66.795 1.00 0.00 WT4 H ATOM 51000 H2 TIP3 7161 90.567 60.651 67.730 1.00 0.00 WT4 H ATOM 51001 OH2 TIP3 7166 29.765 68.743 -8.578 1.00 0.00 WT4 O ATOM 51002 H1 TIP3 7166 29.311 67.935 -8.819 1.00 0.00 WT4 H ATOM 51003 H2 TIP3 7166 29.141 69.439 -8.784 1.00 0.00 WT4 H ATOM 51004 OH2 TIP3 7181 74.219 66.439 13.696 1.00 0.00 WT4 O ATOM 51005 H1 TIP3 7181 73.748 66.478 12.864 1.00 0.00 WT4 H ATOM 51006 H2 TIP3 7181 73.913 67.205 14.181 1.00 0.00 WT4 H ATOM 51007 OH2 TIP3 7182 38.234 62.340 -1.805 1.00 0.00 WT4 O ATOM 51008 H1 TIP3 7182 37.856 61.629 -2.323 1.00 0.00 WT4 H ATOM 51009 H2 TIP3 7182 37.700 63.104 -2.019 1.00 0.00 WT4 H ATOM 51010 OH2 TIP3 7183 40.062 1.549 -10.205 1.00 0.00 WT4 O ATOM 51011 H1 TIP3 7183 39.671 1.661 -9.339 1.00 0.00 WT4 H ATOM 51012 H2 TIP3 7183 40.282 0.618 -10.251 1.00 0.00 WT4 H ATOM 51013 OH2 TIP3 7184 47.056 5.365 -15.214 1.00 0.00 WT4 O ATOM 51014 H1 TIP3 7184 46.687 5.402 -16.096 1.00 0.00 WT4 H ATOM 51015 H2 TIP3 7184 47.560 6.174 -15.131 1.00 0.00 WT4 H ATOM 51016 OH2 TIP3 7185 77.152 62.412 37.251 1.00 0.00 WT4 O ATOM 51017 H1 TIP3 7185 76.855 62.093 38.104 1.00 0.00 WT4 H ATOM 51018 H2 TIP3 7185 76.346 62.580 36.763 1.00 0.00 WT4 H ATOM 51019 OH2 TIP3 7186 61.542 12.033 55.727 1.00 0.00 WT4 O ATOM 51020 H1 TIP3 7186 62.110 11.269 55.832 1.00 0.00 WT4 H ATOM 51021 H2 TIP3 7186 61.633 12.275 54.805 1.00 0.00 WT4 H ATOM 51022 OH2 TIP3 7187 69.408 65.492 -15.877 1.00 0.00 WT4 O ATOM 51023 H1 TIP3 7187 69.709 65.441 -16.784 1.00 0.00 WT4 H ATOM 51024 H2 TIP3 7187 69.209 64.587 -15.638 1.00 0.00 WT4 H ATOM 51025 OH2 TIP3 7189 57.217 93.324 52.558 1.00 0.00 WT4 O ATOM 51026 H1 TIP3 7189 57.038 93.711 51.701 1.00 0.00 WT4 H ATOM 51027 H2 TIP3 7189 57.134 92.381 52.418 1.00 0.00 WT4 H ATOM 51028 OH2 TIP3 7200 55.759 88.502 19.670 1.00 0.00 WT4 O ATOM 51029 H1 TIP3 7200 55.032 89.122 19.616 1.00 0.00 WT4 H ATOM 51030 H2 TIP3 7200 56.529 89.048 19.832 1.00 0.00 WT4 H ATOM 51031 OH2 TIP3 7203 89.587 61.004 -4.502 1.00 0.00 WT4 O ATOM 51032 H1 TIP3 7203 89.770 60.180 -4.050 1.00 0.00 WT4 H ATOM 51033 H2 TIP3 7203 90.134 61.650 -4.055 1.00 0.00 WT4 H ATOM 51034 OH2 TIP3 7206 37.719 5.859 31.667 1.00 0.00 WT4 O ATOM 51035 H1 TIP3 7206 38.186 5.526 32.433 1.00 0.00 WT4 H ATOM 51036 H2 TIP3 7206 37.495 5.077 31.163 1.00 0.00 WT4 H ATOM 51037 OH2 TIP3 7209 22.855 87.268 30.233 1.00 0.00 WT4 O ATOM 51038 H1 TIP3 7209 23.386 87.778 29.621 1.00 0.00 WT4 H ATOM 51039 H2 TIP3 7209 23.412 86.526 30.472 1.00 0.00 WT4 H ATOM 51040 OH2 TIP3 7210 58.247 86.448 47.252 1.00 0.00 WT4 O ATOM 51041 H1 TIP3 7210 57.690 86.218 46.508 1.00 0.00 WT4 H ATOM 51042 H2 TIP3 7210 58.073 85.767 47.902 1.00 0.00 WT4 H ATOM 51043 OH2 TIP3 7211 35.998 42.174 -1.454 1.00 0.00 WT4 O ATOM 51044 H1 TIP3 7211 35.806 43.111 -1.404 1.00 0.00 WT4 H ATOM 51045 H2 TIP3 7211 35.343 41.827 -2.059 1.00 0.00 WT4 H ATOM 51046 OH2 TIP3 7213 83.666 8.397 -3.086 1.00 0.00 WT4 O ATOM 51047 H1 TIP3 7213 84.007 9.110 -3.625 1.00 0.00 WT4 H ATOM 51048 H2 TIP3 7213 82.749 8.627 -2.935 1.00 0.00 WT4 H ATOM 51049 OH2 TIP3 7222 61.752 25.979 -18.583 1.00 0.00 WT4 O ATOM 51050 H1 TIP3 7222 60.959 25.452 -18.487 1.00 0.00 WT4 H ATOM 51051 H2 TIP3 7222 61.621 26.720 -17.990 1.00 0.00 WT4 H ATOM 51052 OH2 TIP3 7227 31.230 3.743 -8.580 1.00 0.00 WT4 O ATOM 51053 H1 TIP3 7227 30.604 4.440 -8.383 1.00 0.00 WT4 H ATOM 51054 H2 TIP3 7227 30.686 2.991 -8.814 1.00 0.00 WT4 H ATOM 51055 OH2 TIP3 7228 79.349 73.968 57.299 1.00 0.00 WT4 O ATOM 51056 H1 TIP3 7228 79.731 74.010 56.422 1.00 0.00 WT4 H ATOM 51057 H2 TIP3 7228 78.684 74.656 57.304 1.00 0.00 WT4 H ATOM 51058 OH2 TIP3 7229 23.792 92.014 51.309 1.00 0.00 WT4 O ATOM 51059 H1 TIP3 7229 22.983 92.526 51.310 1.00 0.00 WT4 H ATOM 51060 H2 TIP3 7229 24.196 92.203 52.156 1.00 0.00 WT4 H ATOM 51061 OH2 TIP3 7230 80.299 69.290 0.930 1.00 0.00 WT4 O ATOM 51062 H1 TIP3 7230 80.868 68.812 1.534 1.00 0.00 WT4 H ATOM 51063 H2 TIP3 7230 79.442 69.291 1.357 1.00 0.00 WT4 H ATOM 51064 OH2 TIP3 7247 75.026 80.762 16.720 1.00 0.00 WT4 O ATOM 51065 H1 TIP3 7247 75.076 80.603 17.663 1.00 0.00 WT4 H ATOM 51066 H2 TIP3 7247 74.215 80.333 16.447 1.00 0.00 WT4 H ATOM 51067 OH2 TIP3 7248 51.181 14.170 -12.932 1.00 0.00 WT4 O ATOM 51068 H1 TIP3 7248 51.887 14.590 -13.423 1.00 0.00 WT4 H ATOM 51069 H2 TIP3 7248 51.255 14.530 -12.048 1.00 0.00 WT4 H ATOM 51070 OH2 TIP3 7249 30.487 7.782 -3.321 1.00 0.00 WT4 O ATOM 51071 H1 TIP3 7249 29.619 8.136 -3.511 1.00 0.00 WT4 H ATOM 51072 H2 TIP3 7249 30.360 7.237 -2.544 1.00 0.00 WT4 H ATOM 51073 OH2 TIP3 7250 28.647 76.373 -19.839 1.00 0.00 WT4 O ATOM 51074 H1 TIP3 7250 29.052 75.593 -20.216 1.00 0.00 WT4 H ATOM 51075 H2 TIP3 7250 27.729 76.130 -19.712 1.00 0.00 WT4 H ATOM 51076 OH2 TIP3 7253 58.384 84.586 -17.911 1.00 0.00 WT4 O ATOM 51077 H1 TIP3 7253 58.737 84.409 -18.783 1.00 0.00 WT4 H ATOM 51078 H2 TIP3 7253 57.537 84.999 -18.073 1.00 0.00 WT4 H ATOM 51079 OH2 TIP3 7254 24.199 21.278 57.831 1.00 0.00 WT4 O ATOM 51080 H1 TIP3 7254 23.968 20.472 58.292 1.00 0.00 WT4 H ATOM 51081 H2 TIP3 7254 25.075 21.496 58.150 1.00 0.00 WT4 H ATOM 51082 OH2 TIP3 7264 37.430 11.364 33.337 1.00 0.00 WT4 O ATOM 51083 H1 TIP3 7264 37.793 11.880 32.617 1.00 0.00 WT4 H ATOM 51084 H2 TIP3 7264 36.486 11.520 33.292 1.00 0.00 WT4 H ATOM 51085 OH2 TIP3 7267 74.334 20.714 -12.898 1.00 0.00 WT4 O ATOM 51086 H1 TIP3 7267 74.969 21.007 -13.552 1.00 0.00 WT4 H ATOM 51087 H2 TIP3 7267 74.859 20.542 -12.116 1.00 0.00 WT4 H ATOM 51088 OH2 TIP3 7270 52.929 77.863 50.869 1.00 0.00 WT4 O ATOM 51089 H1 TIP3 7270 53.678 77.357 50.555 1.00 0.00 WT4 H ATOM 51090 H2 TIP3 7270 52.214 77.624 50.280 1.00 0.00 WT4 H ATOM 51091 OH2 TIP3 7311 61.429 83.847 64.164 1.00 0.00 WT4 O ATOM 51092 H1 TIP3 7311 61.062 82.968 64.255 1.00 0.00 WT4 H ATOM 51093 H2 TIP3 7311 60.771 84.330 63.663 1.00 0.00 WT4 H ATOM 51094 OH2 TIP3 7312 28.533 18.148 55.955 1.00 0.00 WT4 O ATOM 51095 H1 TIP3 7312 29.146 18.818 55.649 1.00 0.00 WT4 H ATOM 51096 H2 TIP3 7312 28.748 18.030 56.880 1.00 0.00 WT4 H ATOM 51097 OH2 TIP3 7415 76.927 69.268 47.276 1.00 0.00 WT4 O ATOM 51098 H1 TIP3 7415 76.893 70.140 46.884 1.00 0.00 WT4 H ATOM 51099 H2 TIP3 7415 77.693 69.292 47.849 1.00 0.00 WT4 H ATOM 51100 OH2 TIP3 7418 68.775 13.376 -11.361 1.00 0.00 WT4 O ATOM 51101 H1 TIP3 7418 68.315 12.967 -12.094 1.00 0.00 WT4 H ATOM 51102 H2 TIP3 7418 69.093 12.640 -10.838 1.00 0.00 WT4 H ATOM 51103 OH2 TIP3 7435 41.692 12.338 22.829 1.00 0.00 WT4 O ATOM 51104 H1 TIP3 7435 41.621 12.505 21.889 1.00 0.00 WT4 H ATOM 51105 H2 TIP3 7435 42.459 12.841 23.105 1.00 0.00 WT4 H ATOM 51106 OH2 TIP3 7437 69.304 94.844 -7.981 1.00 0.00 WT4 O ATOM 51107 H1 TIP3 7437 70.181 94.517 -7.781 1.00 0.00 WT4 H ATOM 51108 H2 TIP3 7437 68.973 94.247 -8.652 1.00 0.00 WT4 H ATOM 51109 OH2 TIP3 7439 35.180 1.941 48.849 1.00 0.00 WT4 O ATOM 51110 H1 TIP3 7439 34.740 2.603 49.383 1.00 0.00 WT4 H ATOM 51111 H2 TIP3 7439 35.219 2.326 47.974 1.00 0.00 WT4 H ATOM 51112 OH2 TIP3 7455 43.425 6.118 1.450 1.00 0.00 WT4 O ATOM 51113 H1 TIP3 7455 42.714 6.063 2.089 1.00 0.00 WT4 H ATOM 51114 H2 TIP3 7455 44.221 6.165 1.979 1.00 0.00 WT4 H ATOM 51115 OH2 TIP3 7461 82.598 50.424 46.517 1.00 0.00 WT4 O ATOM 51116 H1 TIP3 7461 82.148 50.960 45.864 1.00 0.00 WT4 H ATOM 51117 H2 TIP3 7461 83.055 49.757 46.006 1.00 0.00 WT4 H ATOM 51118 OH2 TIP3 7479 21.789 50.990 63.279 1.00 0.00 WT4 O ATOM 51119 H1 TIP3 7479 22.448 50.693 62.652 1.00 0.00 WT4 H ATOM 51120 H2 TIP3 7479 22.079 51.866 63.534 1.00 0.00 WT4 H ATOM 51121 OH2 TIP3 7480 89.701 61.450 54.784 1.00 0.00 WT4 O ATOM 51122 H1 TIP3 7480 89.235 61.562 55.613 1.00 0.00 WT4 H ATOM 51123 H2 TIP3 7480 90.100 62.303 54.617 1.00 0.00 WT4 H ATOM 51124 OH2 TIP3 7481 42.871 72.722 33.154 1.00 0.00 WT4 O ATOM 51125 H1 TIP3 7481 43.386 72.293 33.838 1.00 0.00 WT4 H ATOM 51126 H2 TIP3 7481 43.494 73.298 32.711 1.00 0.00 WT4 H ATOM 51127 OH2 TIP3 7493 85.488 68.510 48.231 1.00 0.00 WT4 O ATOM 51128 H1 TIP3 7493 84.537 68.464 48.136 1.00 0.00 WT4 H ATOM 51129 H2 TIP3 7493 85.826 67.944 47.537 1.00 0.00 WT4 H ATOM 51130 OH2 TIP3 7498 61.171 83.510 67.437 1.00 0.00 WT4 O ATOM 51131 H1 TIP3 7498 61.170 84.357 67.882 1.00 0.00 WT4 H ATOM 51132 H2 TIP3 7498 61.032 83.723 66.514 1.00 0.00 WT4 H ATOM 51133 OH2 TIP3 7500 26.846 29.311 57.403 1.00 0.00 WT4 O ATOM 51134 H1 TIP3 7500 26.598 28.558 57.940 1.00 0.00 WT4 H ATOM 51135 H2 TIP3 7500 27.530 29.751 57.907 1.00 0.00 WT4 H ATOM 51136 OH2 TIP3 7501 23.899 55.277 61.304 1.00 0.00 WT4 O ATOM 51137 H1 TIP3 7501 24.252 55.483 60.439 1.00 0.00 WT4 H ATOM 51138 H2 TIP3 7501 24.177 54.376 61.468 1.00 0.00 WT4 H ATOM 51139 OH2 TIP3 7503 24.941 2.401 48.773 1.00 0.00 WT4 O ATOM 51140 H1 TIP3 7503 24.210 1.959 48.341 1.00 0.00 WT4 H ATOM 51141 H2 TIP3 7503 25.643 1.750 48.783 1.00 0.00 WT4 H ATOM 51142 OH2 TIP3 7504 68.054 89.922 -6.201 1.00 0.00 WT4 O ATOM 51143 H1 TIP3 7504 67.752 89.308 -5.531 1.00 0.00 WT4 H ATOM 51144 H2 TIP3 7504 67.484 90.684 -6.103 1.00 0.00 WT4 H ATOM 51145 OH2 TIP3 7510 90.309 40.673 52.964 1.00 0.00 WT4 O ATOM 51146 H1 TIP3 7510 91.108 40.802 53.475 1.00 0.00 WT4 H ATOM 51147 H2 TIP3 7510 89.612 40.617 53.618 1.00 0.00 WT4 H ATOM 51148 OH2 TIP3 7519 87.680 63.048 17.366 1.00 0.00 WT4 O ATOM 51149 H1 TIP3 7519 86.739 63.030 17.192 1.00 0.00 WT4 H ATOM 51150 H2 TIP3 7519 88.079 62.719 16.561 1.00 0.00 WT4 H ATOM 51151 OH2 TIP3 7522 73.359 85.479 7.518 1.00 0.00 WT4 O ATOM 51152 H1 TIP3 7522 74.311 85.387 7.481 1.00 0.00 WT4 H ATOM 51153 H2 TIP3 7522 73.135 85.979 6.733 1.00 0.00 WT4 H ATOM 51154 OH2 TIP3 7523 48.730 51.712 -17.917 1.00 0.00 WT4 O ATOM 51155 H1 TIP3 7523 48.983 50.905 -18.365 1.00 0.00 WT4 H ATOM 51156 H2 TIP3 7523 49.029 51.590 -17.016 1.00 0.00 WT4 H ATOM 51157 OH2 TIP3 7525 43.243 77.710 6.895 1.00 0.00 WT4 O ATOM 51158 H1 TIP3 7525 44.008 77.956 7.414 1.00 0.00 WT4 H ATOM 51159 H2 TIP3 7525 42.634 77.332 7.529 1.00 0.00 WT4 H ATOM 51160 OH2 TIP3 7526 60.990 44.676 4.110 1.00 0.00 WT4 O ATOM 51161 H1 TIP3 7526 61.242 45.185 4.880 1.00 0.00 WT4 H ATOM 51162 H2 TIP3 7526 60.108 44.361 4.308 1.00 0.00 WT4 H ATOM 51163 OH2 TIP3 7541 47.258 14.038 59.886 1.00 0.00 WT4 O ATOM 51164 H1 TIP3 7541 46.464 13.541 59.689 1.00 0.00 WT4 H ATOM 51165 H2 TIP3 7541 47.868 13.389 60.234 1.00 0.00 WT4 H ATOM 51166 OH2 TIP3 7544 72.305 6.619 -7.473 1.00 0.00 WT4 O ATOM 51167 H1 TIP3 7544 72.038 7.330 -6.891 1.00 0.00 WT4 H ATOM 51168 H2 TIP3 7544 72.703 7.060 -8.224 1.00 0.00 WT4 H ATOM 51169 OH2 TIP3 7545 69.753 62.888 17.759 1.00 0.00 WT4 O ATOM 51170 H1 TIP3 7545 70.554 63.195 17.334 1.00 0.00 WT4 H ATOM 51171 H2 TIP3 7545 69.158 62.692 17.036 1.00 0.00 WT4 H ATOM 51172 OH2 TIP3 7559 81.582 27.012 42.466 1.00 0.00 WT4 O ATOM 51173 H1 TIP3 7559 81.924 27.224 41.597 1.00 0.00 WT4 H ATOM 51174 H2 TIP3 7559 80.863 26.403 42.299 1.00 0.00 WT4 H ATOM 51175 OH2 TIP3 7561 23.124 46.489 20.797 1.00 0.00 WT4 O ATOM 51176 H1 TIP3 7561 23.936 46.969 20.636 1.00 0.00 WT4 H ATOM 51177 H2 TIP3 7561 23.394 45.722 21.301 1.00 0.00 WT4 H ATOM 51178 OH2 TIP3 7563 74.334 61.589 22.986 1.00 0.00 WT4 O ATOM 51179 H1 TIP3 7563 74.726 60.825 23.408 1.00 0.00 WT4 H ATOM 51180 H2 TIP3 7563 74.107 62.173 23.709 1.00 0.00 WT4 H ATOM 51181 OH2 TIP3 7564 62.736 88.369 -18.660 1.00 0.00 WT4 O ATOM 51182 H1 TIP3 7564 63.580 87.918 -18.641 1.00 0.00 WT4 H ATOM 51183 H2 TIP3 7564 62.961 89.296 -18.741 1.00 0.00 WT4 H ATOM 51184 OH2 TIP3 7567 33.366 84.803 -10.579 1.00 0.00 WT4 O ATOM 51185 H1 TIP3 7567 33.736 85.672 -10.422 1.00 0.00 WT4 H ATOM 51186 H2 TIP3 7567 32.530 84.973 -11.013 1.00 0.00 WT4 H ATOM 51187 OH2 TIP3 7582 73.364 38.641 -18.693 1.00 0.00 WT4 O ATOM 51188 H1 TIP3 7582 72.745 37.922 -18.820 1.00 0.00 WT4 H ATOM 51189 H2 TIP3 7582 74.144 38.225 -18.326 1.00 0.00 WT4 H ATOM 51190 OH2 TIP3 7584 77.893 82.802 50.872 1.00 0.00 WT4 O ATOM 51191 H1 TIP3 7584 78.044 82.513 49.972 1.00 0.00 WT4 H ATOM 51192 H2 TIP3 7584 77.875 81.993 51.384 1.00 0.00 WT4 H ATOM 51193 OH2 TIP3 7586 33.587 18.538 26.770 1.00 0.00 WT4 O ATOM 51194 H1 TIP3 7586 32.914 18.372 26.109 1.00 0.00 WT4 H ATOM 51195 H2 TIP3 7586 33.127 18.460 27.606 1.00 0.00 WT4 H ATOM 51196 OH2 TIP3 7594 32.253 56.314 38.707 1.00 0.00 WT4 O ATOM 51197 H1 TIP3 7594 31.817 57.158 38.592 1.00 0.00 WT4 H ATOM 51198 H2 TIP3 7594 32.954 56.315 38.055 1.00 0.00 WT4 H ATOM 51199 OH2 TIP3 7602 61.074 35.790 31.826 1.00 0.00 WT4 O ATOM 51200 H1 TIP3 7602 60.581 36.478 31.378 1.00 0.00 WT4 H ATOM 51201 H2 TIP3 7602 61.992 36.018 31.678 1.00 0.00 WT4 H ATOM 51202 OH2 TIP3 7605 72.242 18.741 -19.699 1.00 0.00 WT4 O ATOM 51203 H1 TIP3 7605 71.449 18.579 -19.187 1.00 0.00 WT4 H ATOM 51204 H2 TIP3 7605 72.143 19.639 -20.017 1.00 0.00 WT4 H ATOM 51205 OH2 TIP3 7608 80.543 34.493 64.942 1.00 0.00 WT4 O ATOM 51206 H1 TIP3 7608 81.404 34.625 64.546 1.00 0.00 WT4 H ATOM 51207 H2 TIP3 7608 80.358 35.316 65.395 1.00 0.00 WT4 H ATOM 51208 OH2 TIP3 7612 26.016 75.185 -19.312 1.00 0.00 WT4 O ATOM 51209 H1 TIP3 7612 26.215 74.748 -18.483 1.00 0.00 WT4 H ATOM 51210 H2 TIP3 7612 25.881 74.469 -19.933 1.00 0.00 WT4 H ATOM 51211 OH2 TIP3 7625 21.929 59.640 3.895 1.00 0.00 WT4 O ATOM 51212 H1 TIP3 7625 22.327 58.883 4.325 1.00 0.00 WT4 H ATOM 51213 H2 TIP3 7625 21.688 59.323 3.025 1.00 0.00 WT4 H ATOM 51214 OH2 TIP3 7626 78.144 88.882 59.943 1.00 0.00 WT4 O ATOM 51215 H1 TIP3 7626 79.006 88.474 60.019 1.00 0.00 WT4 H ATOM 51216 H2 TIP3 7626 77.690 88.634 60.749 1.00 0.00 WT4 H ATOM 51217 OH2 TIP3 7628 20.433 14.171 3.311 1.00 0.00 WT4 O ATOM 51218 H1 TIP3 7628 20.929 14.246 4.126 1.00 0.00 WT4 H ATOM 51219 H2 TIP3 7628 20.534 15.024 2.889 1.00 0.00 WT4 H ATOM 51220 OH2 TIP3 7629 65.839 73.353 50.522 1.00 0.00 WT4 O ATOM 51221 H1 TIP3 7629 66.292 72.955 51.266 1.00 0.00 WT4 H ATOM 51222 H2 TIP3 7629 64.935 73.457 50.820 1.00 0.00 WT4 H ATOM 51223 OH2 TIP3 7630 20.962 30.219 -18.817 1.00 0.00 WT4 O ATOM 51224 H1 TIP3 7630 20.999 31.118 -19.143 1.00 0.00 WT4 H ATOM 51225 H2 TIP3 7630 20.180 29.847 -19.226 1.00 0.00 WT4 H ATOM 51226 OH2 TIP3 7631 59.936 93.377 40.065 1.00 0.00 WT4 O ATOM 51227 H1 TIP3 7631 60.284 92.901 40.819 1.00 0.00 WT4 H ATOM 51228 H2 TIP3 7631 60.598 94.042 39.874 1.00 0.00 WT4 H ATOM 51229 OH2 TIP3 7643 42.358 2.568 -4.878 1.00 0.00 WT4 O ATOM 51230 H1 TIP3 7643 41.726 1.936 -4.534 1.00 0.00 WT4 H ATOM 51231 H2 TIP3 7643 43.212 2.214 -4.630 1.00 0.00 WT4 H ATOM 51232 OH2 TIP3 7644 38.154 52.990 -4.158 1.00 0.00 WT4 O ATOM 51233 H1 TIP3 7644 39.106 53.081 -4.129 1.00 0.00 WT4 H ATOM 51234 H2 TIP3 7644 37.913 52.714 -3.274 1.00 0.00 WT4 H ATOM 51235 OH2 TIP3 7645 45.988 55.479 52.695 1.00 0.00 WT4 O ATOM 51236 H1 TIP3 7645 45.571 56.284 53.003 1.00 0.00 WT4 H ATOM 51237 H2 TIP3 7645 46.006 55.568 51.742 1.00 0.00 WT4 H ATOM 51238 OH2 TIP3 7646 60.076 82.373 58.722 1.00 0.00 WT4 O ATOM 51239 H1 TIP3 7646 59.406 82.613 58.082 1.00 0.00 WT4 H ATOM 51240 H2 TIP3 7646 60.333 81.484 58.479 1.00 0.00 WT4 H ATOM 51241 OH2 TIP3 7647 28.273 24.028 10.990 1.00 0.00 WT4 O ATOM 51242 H1 TIP3 7647 29.144 24.146 10.611 1.00 0.00 WT4 H ATOM 51243 H2 TIP3 7647 28.338 24.411 11.865 1.00 0.00 WT4 H ATOM 51244 OH2 TIP3 7649 68.539 27.993 66.781 1.00 0.00 WT4 O ATOM 51245 H1 TIP3 7649 68.104 28.807 66.526 1.00 0.00 WT4 H ATOM 51246 H2 TIP3 7649 69.069 28.233 67.542 1.00 0.00 WT4 H ATOM 51247 OH2 TIP3 7650 57.773 15.299 11.212 1.00 0.00 WT4 O ATOM 51248 H1 TIP3 7650 57.892 16.065 10.651 1.00 0.00 WT4 H ATOM 51249 H2 TIP3 7650 57.411 15.651 12.025 1.00 0.00 WT4 H ATOM 51250 OH2 TIP3 7652 64.273 74.443 65.592 1.00 0.00 WT4 O ATOM 51251 H1 TIP3 7652 64.447 75.121 64.939 1.00 0.00 WT4 H ATOM 51252 H2 TIP3 7652 63.323 74.326 65.569 1.00 0.00 WT4 H ATOM 51253 OH2 TIP3 7653 84.914 29.984 54.430 1.00 0.00 WT4 O ATOM 51254 H1 TIP3 7653 85.869 29.952 54.484 1.00 0.00 WT4 H ATOM 51255 H2 TIP3 7653 84.630 30.208 55.316 1.00 0.00 WT4 H ATOM 51256 OH2 TIP3 7663 68.304 11.722 -19.184 1.00 0.00 WT4 O ATOM 51257 H1 TIP3 7663 68.379 11.813 -20.134 1.00 0.00 WT4 H ATOM 51258 H2 TIP3 7663 67.440 12.079 -18.976 1.00 0.00 WT4 H ATOM 51259 OH2 TIP3 7668 59.515 74.575 35.091 1.00 0.00 WT4 O ATOM 51260 H1 TIP3 7668 58.917 74.505 35.835 1.00 0.00 WT4 H ATOM 51261 H2 TIP3 7668 59.176 73.948 34.452 1.00 0.00 WT4 H ATOM 51262 OH2 TIP3 7669 36.044 81.370 65.938 1.00 0.00 WT4 O ATOM 51263 H1 TIP3 7669 35.371 81.866 66.405 1.00 0.00 WT4 H ATOM 51264 H2 TIP3 7669 35.669 81.216 65.071 1.00 0.00 WT4 H ATOM 51265 OH2 TIP3 7670 62.373 80.060 16.005 1.00 0.00 WT4 O ATOM 51266 H1 TIP3 7670 62.266 80.648 16.753 1.00 0.00 WT4 H ATOM 51267 H2 TIP3 7670 62.843 80.582 15.355 1.00 0.00 WT4 H ATOM 51268 OH2 TIP3 7671 21.773 94.327 27.108 1.00 0.00 WT4 O ATOM 51269 H1 TIP3 7671 21.702 94.338 26.154 1.00 0.00 WT4 H ATOM 51270 H2 TIP3 7671 22.339 95.071 27.315 1.00 0.00 WT4 H ATOM 51271 OH2 TIP3 7686 27.137 59.781 60.584 1.00 0.00 WT4 O ATOM 51272 H1 TIP3 7686 26.319 59.882 60.098 1.00 0.00 WT4 H ATOM 51273 H2 TIP3 7686 26.920 60.048 61.478 1.00 0.00 WT4 H ATOM 51274 OH2 TIP3 7690 28.330 83.904 46.234 1.00 0.00 WT4 O ATOM 51275 H1 TIP3 7690 27.925 84.081 45.385 1.00 0.00 WT4 H ATOM 51276 H2 TIP3 7690 28.176 82.971 46.384 1.00 0.00 WT4 H ATOM 51277 OH2 TIP3 7691 57.088 72.067 -19.542 1.00 0.00 WT4 O ATOM 51278 H1 TIP3 7691 56.851 72.978 -19.368 1.00 0.00 WT4 H ATOM 51279 H2 TIP3 7691 57.326 71.713 -18.686 1.00 0.00 WT4 H ATOM 51280 OH2 TIP3 7694 75.535 82.738 60.881 1.00 0.00 WT4 O ATOM 51281 H1 TIP3 7694 75.111 82.805 61.737 1.00 0.00 WT4 H ATOM 51282 H2 TIP3 7694 74.874 83.047 60.262 1.00 0.00 WT4 H ATOM 51283 OH2 TIP3 7695 23.709 3.323 8.447 1.00 0.00 WT4 O ATOM 51284 H1 TIP3 7695 23.202 2.589 8.792 1.00 0.00 WT4 H ATOM 51285 H2 TIP3 7695 24.433 3.427 9.066 1.00 0.00 WT4 H ATOM 51286 OH2 TIP3 7696 42.031 94.529 31.559 1.00 0.00 WT4 O ATOM 51287 H1 TIP3 7696 42.026 94.659 32.507 1.00 0.00 WT4 H ATOM 51288 H2 TIP3 7696 41.818 95.390 31.198 1.00 0.00 WT4 H ATOM 51289 OH2 TIP3 7698 64.691 57.354 59.605 1.00 0.00 WT4 O ATOM 51290 H1 TIP3 7698 63.931 57.017 59.131 1.00 0.00 WT4 H ATOM 51291 H2 TIP3 7698 64.541 58.298 59.659 1.00 0.00 WT4 H ATOM 51292 OH2 TIP3 7705 71.934 93.732 63.243 1.00 0.00 WT4 O ATOM 51293 H1 TIP3 7705 72.108 93.638 62.306 1.00 0.00 WT4 H ATOM 51294 H2 TIP3 7705 72.802 93.749 63.647 1.00 0.00 WT4 H ATOM 51295 OH2 TIP3 7707 37.185 53.899 51.671 1.00 0.00 WT4 O ATOM 51296 H1 TIP3 7707 36.791 54.630 52.147 1.00 0.00 WT4 H ATOM 51297 H2 TIP3 7707 37.765 54.313 51.032 1.00 0.00 WT4 H ATOM 51298 OH2 TIP3 7708 55.525 91.494 28.081 1.00 0.00 WT4 O ATOM 51299 H1 TIP3 7708 56.017 91.684 28.879 1.00 0.00 WT4 H ATOM 51300 H2 TIP3 7708 56.178 91.146 27.473 1.00 0.00 WT4 H ATOM 51301 OH2 TIP3 7710 81.540 91.226 18.452 1.00 0.00 WT4 O ATOM 51302 H1 TIP3 7710 80.718 90.842 18.148 1.00 0.00 WT4 H ATOM 51303 H2 TIP3 7710 81.463 91.235 19.406 1.00 0.00 WT4 H ATOM 51304 OH2 TIP3 7712 45.726 38.914 52.837 1.00 0.00 WT4 O ATOM 51305 H1 TIP3 7712 46.506 39.418 53.068 1.00 0.00 WT4 H ATOM 51306 H2 TIP3 7712 45.175 39.531 52.355 1.00 0.00 WT4 H ATOM 51307 OH2 TIP3 7713 71.411 13.459 47.519 1.00 0.00 WT4 O ATOM 51308 H1 TIP3 7713 72.077 13.528 46.835 1.00 0.00 WT4 H ATOM 51309 H2 TIP3 7713 70.905 14.268 47.444 1.00 0.00 WT4 H ATOM 51310 OH2 TIP3 7716 23.880 88.503 -13.229 1.00 0.00 WT4 O ATOM 51311 H1 TIP3 7716 24.049 87.633 -12.868 1.00 0.00 WT4 H ATOM 51312 H2 TIP3 7716 24.734 88.804 -13.538 1.00 0.00 WT4 H ATOM 51313 OH2 TIP3 7734 67.487 9.122 7.916 1.00 0.00 WT4 O ATOM 51314 H1 TIP3 7734 68.291 9.634 8.005 1.00 0.00 WT4 H ATOM 51315 H2 TIP3 7734 67.473 8.561 8.691 1.00 0.00 WT4 H ATOM 51316 OH2 TIP3 7735 45.816 58.390 12.248 1.00 0.00 WT4 O ATOM 51317 H1 TIP3 7735 46.332 58.741 11.522 1.00 0.00 WT4 H ATOM 51318 H2 TIP3 7735 45.898 59.046 12.940 1.00 0.00 WT4 H ATOM 51319 OH2 TIP3 7757 64.655 71.147 13.821 1.00 0.00 WT4 O ATOM 51320 H1 TIP3 7757 64.274 71.045 12.949 1.00 0.00 WT4 H ATOM 51321 H2 TIP3 7757 64.875 70.256 14.092 1.00 0.00 WT4 H ATOM 51322 OH2 TIP3 7791 21.332 9.560 1.166 1.00 0.00 WT4 O ATOM 51323 H1 TIP3 7791 21.256 9.929 0.286 1.00 0.00 WT4 H ATOM 51324 H2 TIP3 7791 21.410 10.321 1.740 1.00 0.00 WT4 H ATOM 51325 OH2 TIP3 7872 62.535 83.523 14.664 1.00 0.00 WT4 O ATOM 51326 H1 TIP3 7872 61.786 83.617 15.252 1.00 0.00 WT4 H ATOM 51327 H2 TIP3 7872 62.863 82.639 14.832 1.00 0.00 WT4 H ATOM 51328 OH2 TIP3 7895 24.680 14.334 7.642 1.00 0.00 WT4 O ATOM 51329 H1 TIP3 7895 24.637 14.268 6.688 1.00 0.00 WT4 H ATOM 51330 H2 TIP3 7895 25.088 13.515 7.922 1.00 0.00 WT4 H ATOM 51331 OH2 TIP3 7922 89.630 57.417 44.053 1.00 0.00 WT4 O ATOM 51332 H1 TIP3 7922 89.925 56.570 44.389 1.00 0.00 WT4 H ATOM 51333 H2 TIP3 7922 90.232 58.052 44.441 1.00 0.00 WT4 H ATOM 51334 OH2 TIP3 7933 61.651 57.617 61.399 1.00 0.00 WT4 O ATOM 51335 H1 TIP3 7933 62.324 58.295 61.335 1.00 0.00 WT4 H ATOM 51336 H2 TIP3 7933 60.894 58.065 61.776 1.00 0.00 WT4 H ATOM 51337 OH2 TIP3 7938 85.017 53.818 30.609 1.00 0.00 WT4 O ATOM 51338 H1 TIP3 7938 85.149 54.666 30.186 1.00 0.00 WT4 H ATOM 51339 H2 TIP3 7938 84.707 53.245 29.907 1.00 0.00 WT4 H ATOM 51340 OH2 TIP3 7939 87.476 68.927 14.025 1.00 0.00 WT4 O ATOM 51341 H1 TIP3 7939 88.306 69.344 14.255 1.00 0.00 WT4 H ATOM 51342 H2 TIP3 7939 87.671 68.424 13.234 1.00 0.00 WT4 H ATOM 51343 OH2 TIP3 7941 65.514 33.836 34.456 1.00 0.00 WT4 O ATOM 51344 H1 TIP3 7941 66.083 34.335 33.870 1.00 0.00 WT4 H ATOM 51345 H2 TIP3 7941 64.891 33.401 33.875 1.00 0.00 WT4 H ATOM 51346 OH2 TIP3 7942 30.753 40.605 28.966 1.00 0.00 WT4 O ATOM 51347 H1 TIP3 7942 30.929 40.127 28.156 1.00 0.00 WT4 H ATOM 51348 H2 TIP3 7942 31.350 41.353 28.938 1.00 0.00 WT4 H ATOM 51349 OH2 TIP3 7947 65.183 77.814 -9.088 1.00 0.00 WT4 O ATOM 51350 H1 TIP3 7947 66.065 77.453 -9.003 1.00 0.00 WT4 H ATOM 51351 H2 TIP3 7947 64.836 77.814 -8.196 1.00 0.00 WT4 H ATOM 51352 OH2 TIP3 7949 28.491 36.960 -8.686 1.00 0.00 WT4 O ATOM 51353 H1 TIP3 7949 29.251 37.170 -8.142 1.00 0.00 WT4 H ATOM 51354 H2 TIP3 7949 28.001 37.781 -8.740 1.00 0.00 WT4 H ATOM 51355 OH2 TIP3 7961 81.283 49.806 60.819 1.00 0.00 WT4 O ATOM 51356 H1 TIP3 7961 81.202 50.653 60.380 1.00 0.00 WT4 H ATOM 51357 H2 TIP3 7961 81.646 50.015 61.679 1.00 0.00 WT4 H ATOM 51358 OH2 TIP3 7962 89.074 81.322 35.606 1.00 0.00 WT4 O ATOM 51359 H1 TIP3 7962 88.425 80.970 34.996 1.00 0.00 WT4 H ATOM 51360 H2 TIP3 7962 89.209 80.622 36.244 1.00 0.00 WT4 H ATOM 51361 OH2 TIP3 7963 31.858 57.384 50.206 1.00 0.00 WT4 O ATOM 51362 H1 TIP3 7963 31.595 58.296 50.326 1.00 0.00 WT4 H ATOM 51363 H2 TIP3 7963 32.779 57.364 50.466 1.00 0.00 WT4 H ATOM 51364 OH2 TIP3 7964 73.120 2.713 14.700 1.00 0.00 WT4 O ATOM 51365 H1 TIP3 7964 72.507 2.073 14.338 1.00 0.00 WT4 H ATOM 51366 H2 TIP3 7964 73.947 2.238 14.775 1.00 0.00 WT4 H ATOM 51367 OH2 TIP3 7965 32.630 52.248 63.832 1.00 0.00 WT4 O ATOM 51368 H1 TIP3 7965 33.211 52.233 64.592 1.00 0.00 WT4 H ATOM 51369 H2 TIP3 7965 32.018 52.962 64.011 1.00 0.00 WT4 H ATOM 51370 OH2 TIP3 7967 31.246 7.484 49.976 1.00 0.00 WT4 O ATOM 51371 H1 TIP3 7967 30.745 6.725 49.677 1.00 0.00 WT4 H ATOM 51372 H2 TIP3 7967 32.161 7.228 49.862 1.00 0.00 WT4 H ATOM 51373 OH2 TIP3 7969 22.047 74.387 23.329 1.00 0.00 WT4 O ATOM 51374 H1 TIP3 7969 21.613 73.590 23.633 1.00 0.00 WT4 H ATOM 51375 H2 TIP3 7969 22.516 74.713 24.097 1.00 0.00 WT4 H ATOM 51376 OH2 TIP3 7981 71.741 49.874 0.284 1.00 0.00 WT4 O ATOM 51377 H1 TIP3 7981 70.959 49.734 0.818 1.00 0.00 WT4 H ATOM 51378 H2 TIP3 7981 71.952 50.800 0.404 1.00 0.00 WT4 H ATOM 51379 OH2 TIP3 7983 65.189 4.382 42.814 1.00 0.00 WT4 O ATOM 51380 H1 TIP3 7983 64.768 3.557 42.572 1.00 0.00 WT4 H ATOM 51381 H2 TIP3 7983 65.697 4.172 43.597 1.00 0.00 WT4 H ATOM 51382 OH2 TIP3 7984 26.428 66.290 42.378 1.00 0.00 WT4 O ATOM 51383 H1 TIP3 7984 25.951 65.462 42.317 1.00 0.00 WT4 H ATOM 51384 H2 TIP3 7984 27.351 66.037 42.354 1.00 0.00 WT4 H ATOM 51385 OH2 TIP3 7985 65.669 88.788 55.300 1.00 0.00 WT4 O ATOM 51386 H1 TIP3 7985 64.958 89.313 55.668 1.00 0.00 WT4 H ATOM 51387 H2 TIP3 7985 65.725 89.066 54.386 1.00 0.00 WT4 H ATOM 51388 OH2 TIP3 7986 70.410 48.013 60.824 1.00 0.00 WT4 O ATOM 51389 H1 TIP3 7986 70.323 48.372 61.707 1.00 0.00 WT4 H ATOM 51390 H2 TIP3 7986 70.121 48.721 60.248 1.00 0.00 WT4 H ATOM 51391 OH2 TIP3 7987 26.187 16.718 37.838 1.00 0.00 WT4 O ATOM 51392 H1 TIP3 7987 26.725 16.517 38.603 1.00 0.00 WT4 H ATOM 51393 H2 TIP3 7987 26.804 17.073 37.197 1.00 0.00 WT4 H ATOM 51394 OH2 TIP3 8003 75.702 74.075 26.536 1.00 0.00 WT4 O ATOM 51395 H1 TIP3 8003 75.493 73.272 26.059 1.00 0.00 WT4 H ATOM 51396 H2 TIP3 8003 75.028 74.134 27.213 1.00 0.00 WT4 H ATOM 51397 OH2 TIP3 8004 72.661 81.183 -3.983 1.00 0.00 WT4 O ATOM 51398 H1 TIP3 8004 72.350 81.930 -4.494 1.00 0.00 WT4 H ATOM 51399 H2 TIP3 8004 71.980 81.040 -3.326 1.00 0.00 WT4 H ATOM 51400 OH2 TIP3 8005 30.879 59.258 -8.062 1.00 0.00 WT4 O ATOM 51401 H1 TIP3 8005 30.000 59.012 -8.350 1.00 0.00 WT4 H ATOM 51402 H2 TIP3 8005 30.738 59.746 -7.251 1.00 0.00 WT4 H ATOM 51403 OH2 TIP3 8007 43.918 53.404 0.972 1.00 0.00 WT4 O ATOM 51404 H1 TIP3 8007 44.591 52.917 1.447 1.00 0.00 WT4 H ATOM 51405 H2 TIP3 8007 43.774 54.190 1.500 1.00 0.00 WT4 H ATOM 51406 OH2 TIP3 8022 45.601 8.927 56.122 1.00 0.00 WT4 O ATOM 51407 H1 TIP3 8022 44.961 9.314 55.525 1.00 0.00 WT4 H ATOM 51408 H2 TIP3 8022 45.218 8.087 56.375 1.00 0.00 WT4 H ATOM 51409 OH2 TIP3 8024 64.247 0.221 31.060 1.00 0.00 WT4 O ATOM 51410 H1 TIP3 8024 63.799 0.732 31.735 1.00 0.00 WT4 H ATOM 51411 H2 TIP3 8024 63.543 -0.103 30.498 1.00 0.00 WT4 H ATOM 51412 OH2 TIP3 8027 33.646 49.559 -15.203 1.00 0.00 WT4 O ATOM 51413 H1 TIP3 8027 34.435 49.106 -15.499 1.00 0.00 WT4 H ATOM 51414 H2 TIP3 8027 33.746 49.620 -14.253 1.00 0.00 WT4 H ATOM 51415 OH2 TIP3 8029 29.124 82.965 -13.986 1.00 0.00 WT4 O ATOM 51416 H1 TIP3 8029 29.575 83.784 -14.191 1.00 0.00 WT4 H ATOM 51417 H2 TIP3 8029 29.706 82.519 -13.370 1.00 0.00 WT4 H ATOM 51418 OH2 TIP3 8030 61.534 57.427 52.202 1.00 0.00 WT4 O ATOM 51419 H1 TIP3 8030 62.217 56.787 52.402 1.00 0.00 WT4 H ATOM 51420 H2 TIP3 8030 60.715 56.941 52.292 1.00 0.00 WT4 H ATOM 51421 OH2 TIP3 8040 68.482 41.157 1.319 1.00 0.00 WT4 O ATOM 51422 H1 TIP3 8040 68.972 40.526 0.792 1.00 0.00 WT4 H ATOM 51423 H2 TIP3 8040 69.111 41.461 1.973 1.00 0.00 WT4 H ATOM 51424 OH2 TIP3 8041 87.960 64.447 -10.098 1.00 0.00 WT4 O ATOM 51425 H1 TIP3 8041 88.107 64.827 -10.964 1.00 0.00 WT4 H ATOM 51426 H2 TIP3 8041 88.831 64.411 -9.702 1.00 0.00 WT4 H ATOM 51427 OH2 TIP3 8045 36.509 38.840 54.350 1.00 0.00 WT4 O ATOM 51428 H1 TIP3 8045 35.768 38.816 53.744 1.00 0.00 WT4 H ATOM 51429 H2 TIP3 8045 36.283 38.207 55.032 1.00 0.00 WT4 H ATOM 51430 OH2 TIP3 8046 38.366 65.102 56.463 1.00 0.00 WT4 O ATOM 51431 H1 TIP3 8046 38.324 64.600 55.650 1.00 0.00 WT4 H ATOM 51432 H2 TIP3 8046 38.491 64.443 57.146 1.00 0.00 WT4 H ATOM 51433 OH2 TIP3 8047 84.845 61.214 62.849 1.00 0.00 WT4 O ATOM 51434 H1 TIP3 8047 84.922 62.099 62.491 1.00 0.00 WT4 H ATOM 51435 H2 TIP3 8047 84.398 61.333 63.688 1.00 0.00 WT4 H ATOM 51436 OH2 TIP3 8052 78.791 13.717 49.304 1.00 0.00 WT4 O ATOM 51437 H1 TIP3 8052 79.630 13.714 48.842 1.00 0.00 WT4 H ATOM 51438 H2 TIP3 8052 78.409 14.570 49.102 1.00 0.00 WT4 H ATOM 51439 OH2 TIP3 8063 34.363 48.674 -12.428 1.00 0.00 WT4 O ATOM 51440 H1 TIP3 8063 35.257 49.015 -12.437 1.00 0.00 WT4 H ATOM 51441 H2 TIP3 8063 34.271 48.262 -11.569 1.00 0.00 WT4 H ATOM 51442 OH2 TIP3 8064 59.601 83.100 42.594 1.00 0.00 WT4 O ATOM 51443 H1 TIP3 8064 60.190 83.091 41.840 1.00 0.00 WT4 H ATOM 51444 H2 TIP3 8064 58.724 83.048 42.214 1.00 0.00 WT4 H ATOM 51445 OH2 TIP3 8067 24.664 95.783 45.717 1.00 0.00 WT4 O ATOM 51446 H1 TIP3 8067 24.432 95.274 46.494 1.00 0.00 WT4 H ATOM 51447 H2 TIP3 8067 25.478 95.387 45.406 1.00 0.00 WT4 H ATOM 51448 OH2 TIP3 8068 72.763 60.951 -18.739 1.00 0.00 WT4 O ATOM 51449 H1 TIP3 8068 72.810 60.658 -19.649 1.00 0.00 WT4 H ATOM 51450 H2 TIP3 8068 73.558 60.604 -18.334 1.00 0.00 WT4 H ATOM 51451 OH2 TIP3 8069 37.052 44.222 -7.535 1.00 0.00 WT4 O ATOM 51452 H1 TIP3 8069 38.002 44.157 -7.432 1.00 0.00 WT4 H ATOM 51453 H2 TIP3 8069 36.885 45.159 -7.636 1.00 0.00 WT4 H ATOM 51454 OH2 TIP3 8070 72.667 72.521 40.821 1.00 0.00 WT4 O ATOM 51455 H1 TIP3 8070 73.420 72.754 40.278 1.00 0.00 WT4 H ATOM 51456 H2 TIP3 8070 72.988 71.819 41.388 1.00 0.00 WT4 H ATOM 51457 OH2 TIP3 8071 78.240 84.566 15.701 1.00 0.00 WT4 O ATOM 51458 H1 TIP3 8071 79.141 84.731 15.980 1.00 0.00 WT4 H ATOM 51459 H2 TIP3 8071 78.091 83.643 15.905 1.00 0.00 WT4 H ATOM 51460 OH2 TIP3 8075 47.199 70.311 28.412 1.00 0.00 WT4 O ATOM 51461 H1 TIP3 8075 47.297 69.705 29.147 1.00 0.00 WT4 H ATOM 51462 H2 TIP3 8075 47.641 69.876 27.683 1.00 0.00 WT4 H ATOM 51463 OH2 TIP3 8084 69.992 67.472 50.035 1.00 0.00 WT4 O ATOM 51464 H1 TIP3 8084 70.845 67.138 49.758 1.00 0.00 WT4 H ATOM 51465 H2 TIP3 8084 69.376 67.116 49.395 1.00 0.00 WT4 H ATOM 51466 OH2 TIP3 8085 67.111 85.630 47.652 1.00 0.00 WT4 O ATOM 51467 H1 TIP3 8085 67.141 86.526 47.316 1.00 0.00 WT4 H ATOM 51468 H2 TIP3 8085 67.474 85.096 46.945 1.00 0.00 WT4 H ATOM 51469 OH2 TIP3 8087 79.763 69.322 43.101 1.00 0.00 WT4 O ATOM 51470 H1 TIP3 8087 80.314 69.664 42.397 1.00 0.00 WT4 H ATOM 51471 H2 TIP3 8087 80.048 69.799 43.881 1.00 0.00 WT4 H ATOM 51472 OH2 TIP3 8088 26.794 91.825 37.394 1.00 0.00 WT4 O ATOM 51473 H1 TIP3 8088 26.543 92.709 37.661 1.00 0.00 WT4 H ATOM 51474 H2 TIP3 8088 27.733 91.776 37.576 1.00 0.00 WT4 H ATOM 51475 OH2 TIP3 8089 66.100 13.163 -8.962 1.00 0.00 WT4 O ATOM 51476 H1 TIP3 8089 65.329 13.352 -9.497 1.00 0.00 WT4 H ATOM 51477 H2 TIP3 8089 66.220 12.216 -9.040 1.00 0.00 WT4 H ATOM 51478 OH2 TIP3 8091 73.442 82.643 66.603 1.00 0.00 WT4 O ATOM 51479 H1 TIP3 8091 74.058 82.877 67.297 1.00 0.00 WT4 H ATOM 51480 H2 TIP3 8091 73.780 81.820 66.250 1.00 0.00 WT4 H ATOM 51481 OH2 TIP3 8092 87.883 22.872 -2.671 1.00 0.00 WT4 O ATOM 51482 H1 TIP3 8092 87.587 23.782 -2.659 1.00 0.00 WT4 H ATOM 51483 H2 TIP3 8092 88.137 22.714 -3.580 1.00 0.00 WT4 H ATOM 51484 OH2 TIP3 8093 47.019 82.214 38.429 1.00 0.00 WT4 O ATOM 51485 H1 TIP3 8093 47.324 82.857 37.788 1.00 0.00 WT4 H ATOM 51486 H2 TIP3 8093 46.772 81.452 37.906 1.00 0.00 WT4 H ATOM 51487 OH2 TIP3 8095 72.158 80.098 -16.242 1.00 0.00 WT4 O ATOM 51488 H1 TIP3 8095 72.518 80.755 -15.645 1.00 0.00 WT4 H ATOM 51489 H2 TIP3 8095 72.246 79.270 -15.770 1.00 0.00 WT4 H ATOM 51490 OH2 TIP3 8096 73.086 38.947 20.066 1.00 0.00 WT4 O ATOM 51491 H1 TIP3 8096 72.868 39.860 20.253 1.00 0.00 WT4 H ATOM 51492 H2 TIP3 8096 72.437 38.440 20.554 1.00 0.00 WT4 H ATOM 51493 OH2 TIP3 8104 48.709 42.795 51.297 1.00 0.00 WT4 O ATOM 51494 H1 TIP3 8104 49.078 43.202 52.080 1.00 0.00 WT4 H ATOM 51495 H2 TIP3 8104 47.998 43.381 51.034 1.00 0.00 WT4 H ATOM 51496 OH2 TIP3 8106 67.945 95.914 15.435 1.00 0.00 WT4 O ATOM 51497 H1 TIP3 8106 68.377 96.767 15.475 1.00 0.00 WT4 H ATOM 51498 H2 TIP3 8106 68.449 95.420 14.788 1.00 0.00 WT4 H ATOM 51499 OH2 TIP3 8107 72.332 68.516 36.827 1.00 0.00 WT4 O ATOM 51500 H1 TIP3 8107 72.368 68.176 35.933 1.00 0.00 WT4 H ATOM 51501 H2 TIP3 8107 72.564 69.441 36.742 1.00 0.00 WT4 H ATOM 51502 OH2 TIP3 8109 43.884 95.729 51.658 1.00 0.00 WT4 O ATOM 51503 H1 TIP3 8109 44.186 95.356 50.830 1.00 0.00 WT4 H ATOM 51504 H2 TIP3 8109 43.929 95.002 52.279 1.00 0.00 WT4 H ATOM 51505 OH2 TIP3 8110 80.610 89.884 41.321 1.00 0.00 WT4 O ATOM 51506 H1 TIP3 8110 80.085 90.583 41.711 1.00 0.00 WT4 H ATOM 51507 H2 TIP3 8110 81.318 90.341 40.866 1.00 0.00 WT4 H ATOM 51508 OH2 TIP3 8111 71.752 41.705 -2.968 1.00 0.00 WT4 O ATOM 51509 H1 TIP3 8111 72.435 41.544 -2.317 1.00 0.00 WT4 H ATOM 51510 H2 TIP3 8111 70.994 41.987 -2.457 1.00 0.00 WT4 H ATOM 51511 OH2 TIP3 8112 86.617 83.870 66.761 1.00 0.00 WT4 O ATOM 51512 H1 TIP3 8112 87.229 83.186 67.032 1.00 0.00 WT4 H ATOM 51513 H2 TIP3 8112 85.870 83.772 67.352 1.00 0.00 WT4 H ATOM 51514 OH2 TIP3 8113 48.015 78.425 37.248 1.00 0.00 WT4 O ATOM 51515 H1 TIP3 8113 48.694 77.927 37.703 1.00 0.00 WT4 H ATOM 51516 H2 TIP3 8113 47.578 77.781 36.690 1.00 0.00 WT4 H ATOM 51517 OH2 TIP3 8114 90.696 11.644 -15.209 1.00 0.00 WT4 O ATOM 51518 H1 TIP3 8114 89.904 11.501 -15.727 1.00 0.00 WT4 H ATOM 51519 H2 TIP3 8114 91.411 11.361 -15.780 1.00 0.00 WT4 H ATOM 51520 OH2 TIP3 8129 39.451 77.649 58.528 1.00 0.00 WT4 O ATOM 51521 H1 TIP3 8129 38.514 77.788 58.388 1.00 0.00 WT4 H ATOM 51522 H2 TIP3 8129 39.780 78.503 58.810 1.00 0.00 WT4 H ATOM 51523 OH2 TIP3 8135 28.343 60.626 -0.266 1.00 0.00 WT4 O ATOM 51524 H1 TIP3 8135 28.620 60.021 0.422 1.00 0.00 WT4 H ATOM 51525 H2 TIP3 8135 29.126 60.757 -0.800 1.00 0.00 WT4 H ATOM 51526 OH2 TIP3 8150 51.730 64.439 52.538 1.00 0.00 WT4 O ATOM 51527 H1 TIP3 8150 51.055 64.214 51.898 1.00 0.00 WT4 H ATOM 51528 H2 TIP3 8150 51.335 65.130 53.071 1.00 0.00 WT4 H ATOM 51529 OH2 TIP3 8154 21.930 54.045 67.539 1.00 0.00 WT4 O ATOM 51530 H1 TIP3 8154 22.570 54.585 67.074 1.00 0.00 WT4 H ATOM 51531 H2 TIP3 8154 21.153 54.061 66.981 1.00 0.00 WT4 H ATOM 51532 OH2 TIP3 8155 43.635 84.090 -16.987 1.00 0.00 WT4 O ATOM 51533 H1 TIP3 8155 44.534 84.373 -16.817 1.00 0.00 WT4 H ATOM 51534 H2 TIP3 8155 43.221 84.077 -16.124 1.00 0.00 WT4 H ATOM 51535 OH2 TIP3 8159 87.550 3.928 44.288 1.00 0.00 WT4 O ATOM 51536 H1 TIP3 8159 88.002 4.761 44.417 1.00 0.00 WT4 H ATOM 51537 H2 TIP3 8159 87.329 3.634 45.172 1.00 0.00 WT4 H ATOM 51538 OH2 TIP3 8174 28.179 92.764 -7.817 1.00 0.00 WT4 O ATOM 51539 H1 TIP3 8174 28.628 92.460 -7.028 1.00 0.00 WT4 H ATOM 51540 H2 TIP3 8174 27.791 91.974 -8.192 1.00 0.00 WT4 H ATOM 51541 OH2 TIP3 8178 39.462 82.339 43.488 1.00 0.00 WT4 O ATOM 51542 H1 TIP3 8178 38.829 82.305 42.770 1.00 0.00 WT4 H ATOM 51543 H2 TIP3 8178 40.276 82.631 43.077 1.00 0.00 WT4 H ATOM 51544 OH2 TIP3 8219 62.778 1.469 32.967 1.00 0.00 WT4 O ATOM 51545 H1 TIP3 8219 61.873 1.474 33.280 1.00 0.00 WT4 H ATOM 51546 H2 TIP3 8219 63.013 2.394 32.895 1.00 0.00 WT4 H ATOM 51547 OH2 TIP3 8319 71.868 24.135 54.288 1.00 0.00 WT4 O ATOM 51548 H1 TIP3 8319 71.807 23.905 53.361 1.00 0.00 WT4 H ATOM 51549 H2 TIP3 8319 72.735 23.828 54.555 1.00 0.00 WT4 H ATOM 51550 OH2 TIP3 8322 80.544 55.010 7.423 1.00 0.00 WT4 O ATOM 51551 H1 TIP3 8322 80.006 55.426 8.097 1.00 0.00 WT4 H ATOM 51552 H2 TIP3 8322 80.104 54.179 7.243 1.00 0.00 WT4 H ATOM 51553 OH2 TIP3 8324 50.332 47.611 45.373 1.00 0.00 WT4 O ATOM 51554 H1 TIP3 8324 50.261 46.667 45.514 1.00 0.00 WT4 H ATOM 51555 H2 TIP3 8324 50.496 47.972 46.245 1.00 0.00 WT4 H ATOM 51556 OH2 TIP3 8339 29.667 33.028 36.204 1.00 0.00 WT4 O ATOM 51557 H1 TIP3 8339 30.595 32.799 36.256 1.00 0.00 WT4 H ATOM 51558 H2 TIP3 8339 29.655 33.892 35.793 1.00 0.00 WT4 H ATOM 51559 OH2 TIP3 8345 47.784 69.818 48.781 1.00 0.00 WT4 O ATOM 51560 H1 TIP3 8345 48.041 68.951 48.467 1.00 0.00 WT4 H ATOM 51561 H2 TIP3 8345 47.029 69.653 49.346 1.00 0.00 WT4 H ATOM 51562 OH2 TIP3 8364 27.264 68.975 -14.735 1.00 0.00 WT4 O ATOM 51563 H1 TIP3 8364 26.465 68.454 -14.659 1.00 0.00 WT4 H ATOM 51564 H2 TIP3 8364 27.426 69.299 -13.849 1.00 0.00 WT4 H ATOM 51565 OH2 TIP3 8365 83.402 71.276 -18.547 1.00 0.00 WT4 O ATOM 51566 H1 TIP3 8365 83.271 70.333 -18.450 1.00 0.00 WT4 H ATOM 51567 H2 TIP3 8365 83.394 71.423 -19.493 1.00 0.00 WT4 H ATOM 51568 OH2 TIP3 8377 87.781 58.335 -8.639 1.00 0.00 WT4 O ATOM 51569 H1 TIP3 8377 88.544 58.658 -9.118 1.00 0.00 WT4 H ATOM 51570 H2 TIP3 8377 88.134 58.032 -7.802 1.00 0.00 WT4 H ATOM 51571 OH2 TIP3 8378 26.681 45.668 56.056 1.00 0.00 WT4 O ATOM 51572 H1 TIP3 8378 27.351 45.698 55.373 1.00 0.00 WT4 H ATOM 51573 H2 TIP3 8378 25.864 45.869 55.599 1.00 0.00 WT4 H ATOM 51574 OH2 TIP3 8381 82.076 79.922 -16.912 1.00 0.00 WT4 O ATOM 51575 H1 TIP3 8381 82.878 80.287 -16.536 1.00 0.00 WT4 H ATOM 51576 H2 TIP3 8381 82.227 78.977 -16.927 1.00 0.00 WT4 H ATOM 51577 OH2 TIP3 8382 43.572 69.828 -1.902 1.00 0.00 WT4 O ATOM 51578 H1 TIP3 8382 43.398 68.955 -1.551 1.00 0.00 WT4 H ATOM 51579 H2 TIP3 8382 43.962 70.308 -1.171 1.00 0.00 WT4 H ATOM 51580 OH2 TIP3 8384 89.973 86.352 -15.955 1.00 0.00 WT4 O ATOM 51581 H1 TIP3 8384 90.416 87.142 -16.265 1.00 0.00 WT4 H ATOM 51582 H2 TIP3 8384 90.140 85.701 -16.637 1.00 0.00 WT4 H ATOM 51583 OH2 TIP3 8386 78.389 7.487 65.278 1.00 0.00 WT4 O ATOM 51584 H1 TIP3 8386 77.760 8.003 64.774 1.00 0.00 WT4 H ATOM 51585 H2 TIP3 8386 78.148 6.577 65.104 1.00 0.00 WT4 H ATOM 51586 OH2 TIP3 8388 41.997 92.325 33.676 1.00 0.00 WT4 O ATOM 51587 H1 TIP3 8388 42.877 92.213 33.316 1.00 0.00 WT4 H ATOM 51588 H2 TIP3 8388 41.900 93.272 33.781 1.00 0.00 WT4 H ATOM 51589 OH2 TIP3 8389 83.386 48.147 5.721 1.00 0.00 WT4 O ATOM 51590 H1 TIP3 8389 83.966 48.587 6.342 1.00 0.00 WT4 H ATOM 51591 H2 TIP3 8389 83.121 48.834 5.111 1.00 0.00 WT4 H ATOM 51592 OH2 TIP3 8403 23.649 41.083 -5.333 1.00 0.00 WT4 O ATOM 51593 H1 TIP3 8403 23.060 41.364 -4.633 1.00 0.00 WT4 H ATOM 51594 H2 TIP3 8403 23.067 40.761 -6.021 1.00 0.00 WT4 H ATOM 51595 OH2 TIP3 8411 64.876 48.984 57.935 1.00 0.00 WT4 O ATOM 51596 H1 TIP3 8411 64.342 48.440 57.356 1.00 0.00 WT4 H ATOM 51597 H2 TIP3 8411 64.647 49.883 57.698 1.00 0.00 WT4 H ATOM 51598 OH2 TIP3 8421 43.639 7.284 38.700 1.00 0.00 WT4 O ATOM 51599 H1 TIP3 8421 44.503 7.436 38.318 1.00 0.00 WT4 H ATOM 51600 H2 TIP3 8421 43.103 6.980 37.967 1.00 0.00 WT4 H ATOM 51601 OH2 TIP3 8425 76.145 83.797 31.832 1.00 0.00 WT4 O ATOM 51602 H1 TIP3 8425 75.986 83.174 31.123 1.00 0.00 WT4 H ATOM 51603 H2 TIP3 8425 76.117 84.655 31.408 1.00 0.00 WT4 H ATOM 51604 OH2 TIP3 8427 61.271 63.429 -19.067 1.00 0.00 WT4 O ATOM 51605 H1 TIP3 8427 60.698 64.154 -19.315 1.00 0.00 WT4 H ATOM 51606 H2 TIP3 8427 61.251 63.423 -18.110 1.00 0.00 WT4 H ATOM 51607 OH2 TIP3 8428 78.779 18.448 43.565 1.00 0.00 WT4 O ATOM 51608 H1 TIP3 8428 79.357 17.808 43.149 1.00 0.00 WT4 H ATOM 51609 H2 TIP3 8428 77.905 18.064 43.493 1.00 0.00 WT4 H ATOM 51610 OH2 TIP3 8431 78.819 61.727 35.173 1.00 0.00 WT4 O ATOM 51611 H1 TIP3 8431 79.271 62.522 35.457 1.00 0.00 WT4 H ATOM 51612 H2 TIP3 8431 78.112 61.613 35.808 1.00 0.00 WT4 H ATOM 51613 OH2 TIP3 8441 63.699 43.519 25.273 1.00 0.00 WT4 O ATOM 51614 H1 TIP3 8441 64.292 43.414 26.017 1.00 0.00 WT4 H ATOM 51615 H2 TIP3 8441 62.824 43.424 25.649 1.00 0.00 WT4 H ATOM 51616 OH2 TIP3 8442 24.843 67.474 -15.390 1.00 0.00 WT4 O ATOM 51617 H1 TIP3 8442 25.031 66.540 -15.483 1.00 0.00 WT4 H ATOM 51618 H2 TIP3 8442 24.982 67.835 -16.266 1.00 0.00 WT4 H ATOM 51619 OH2 TIP3 8444 76.819 66.402 46.842 1.00 0.00 WT4 O ATOM 51620 H1 TIP3 8444 77.458 65.989 46.262 1.00 0.00 WT4 H ATOM 51621 H2 TIP3 8444 76.435 67.103 46.315 1.00 0.00 WT4 H ATOM 51622 OH2 TIP3 8445 70.274 78.840 -4.759 1.00 0.00 WT4 O ATOM 51623 H1 TIP3 8445 70.458 77.933 -5.005 1.00 0.00 WT4 H ATOM 51624 H2 TIP3 8445 69.450 78.794 -4.274 1.00 0.00 WT4 H ATOM 51625 OH2 TIP3 8446 67.552 12.343 50.308 1.00 0.00 WT4 O ATOM 51626 H1 TIP3 8446 66.894 12.650 49.683 1.00 0.00 WT4 H ATOM 51627 H2 TIP3 8446 68.256 11.992 49.762 1.00 0.00 WT4 H ATOM 51628 OH2 TIP3 8447 24.776 81.464 44.645 1.00 0.00 WT4 O ATOM 51629 H1 TIP3 8447 25.099 80.865 43.972 1.00 0.00 WT4 H ATOM 51630 H2 TIP3 8447 24.928 81.001 45.470 1.00 0.00 WT4 H ATOM 51631 OH2 TIP3 8449 49.225 75.165 56.433 1.00 0.00 WT4 O ATOM 51632 H1 TIP3 8449 49.166 74.881 55.521 1.00 0.00 WT4 H ATOM 51633 H2 TIP3 8449 49.909 75.835 56.433 1.00 0.00 WT4 H ATOM 51634 OH2 TIP3 8455 67.353 25.999 31.487 1.00 0.00 WT4 O ATOM 51635 H1 TIP3 8455 67.958 26.720 31.654 1.00 0.00 WT4 H ATOM 51636 H2 TIP3 8455 66.848 26.281 30.724 1.00 0.00 WT4 H ATOM 51637 OH2 TIP3 8462 74.844 1.159 34.564 1.00 0.00 WT4 O ATOM 51638 H1 TIP3 8462 74.793 1.618 33.726 1.00 0.00 WT4 H ATOM 51639 H2 TIP3 8462 75.341 1.749 35.131 1.00 0.00 WT4 H ATOM 51640 OH2 TIP3 8463 87.137 95.120 36.183 1.00 0.00 WT4 O ATOM 51641 H1 TIP3 8463 87.635 94.567 35.581 1.00 0.00 WT4 H ATOM 51642 H2 TIP3 8463 86.544 95.615 35.619 1.00 0.00 WT4 H ATOM 51643 OH2 TIP3 8465 30.860 78.054 -19.254 1.00 0.00 WT4 O ATOM 51644 H1 TIP3 8465 31.424 78.096 -20.027 1.00 0.00 WT4 H ATOM 51645 H2 TIP3 8465 30.052 77.648 -19.568 1.00 0.00 WT4 H ATOM 51646 OH2 TIP3 8466 85.712 14.713 -0.903 1.00 0.00 WT4 O ATOM 51647 H1 TIP3 8466 85.719 14.212 -0.088 1.00 0.00 WT4 H ATOM 51648 H2 TIP3 8466 84.946 15.283 -0.829 1.00 0.00 WT4 H ATOM 51649 OH2 TIP3 8468 84.347 95.602 13.217 1.00 0.00 WT4 O ATOM 51650 H1 TIP3 8468 83.519 95.828 13.640 1.00 0.00 WT4 H ATOM 51651 H2 TIP3 8468 84.687 94.870 13.731 1.00 0.00 WT4 H ATOM 51652 OH2 TIP3 8486 81.768 82.505 -9.703 1.00 0.00 WT4 O ATOM 51653 H1 TIP3 8486 82.645 82.708 -9.378 1.00 0.00 WT4 H ATOM 51654 H2 TIP3 8486 81.626 83.128 -10.416 1.00 0.00 WT4 H ATOM 51655 OH2 TIP3 8487 56.016 72.619 -9.050 1.00 0.00 WT4 O ATOM 51656 H1 TIP3 8487 55.766 72.277 -8.191 1.00 0.00 WT4 H ATOM 51657 H2 TIP3 8487 55.298 73.204 -9.293 1.00 0.00 WT4 H ATOM 51658 OH2 TIP3 8489 61.601 92.015 41.729 1.00 0.00 WT4 O ATOM 51659 H1 TIP3 8489 62.241 91.526 41.211 1.00 0.00 WT4 H ATOM 51660 H2 TIP3 8489 61.044 91.342 42.120 1.00 0.00 WT4 H ATOM 51661 OH2 TIP3 8490 81.690 37.870 41.237 1.00 0.00 WT4 O ATOM 51662 H1 TIP3 8490 81.534 38.781 41.488 1.00 0.00 WT4 H ATOM 51663 H2 TIP3 8490 82.633 37.749 41.347 1.00 0.00 WT4 H ATOM 51664 OH2 TIP3 8505 81.807 63.405 50.377 1.00 0.00 WT4 O ATOM 51665 H1 TIP3 8505 82.272 62.753 50.902 1.00 0.00 WT4 H ATOM 51666 H2 TIP3 8505 80.898 63.104 50.371 1.00 0.00 WT4 H ATOM 51667 OH2 TIP3 8506 60.495 73.544 50.994 1.00 0.00 WT4 O ATOM 51668 H1 TIP3 8506 60.902 73.965 50.236 1.00 0.00 WT4 H ATOM 51669 H2 TIP3 8506 59.573 73.794 50.941 1.00 0.00 WT4 H ATOM 51670 OH2 TIP3 8507 65.955 3.762 16.672 1.00 0.00 WT4 O ATOM 51671 H1 TIP3 8507 65.770 3.463 17.562 1.00 0.00 WT4 H ATOM 51672 H2 TIP3 8507 66.813 4.182 16.735 1.00 0.00 WT4 H ATOM 51673 OH2 TIP3 8508 41.472 10.934 67.097 1.00 0.00 WT4 O ATOM 51674 H1 TIP3 8508 40.905 11.704 67.054 1.00 0.00 WT4 H ATOM 51675 H2 TIP3 8508 41.894 10.898 66.239 1.00 0.00 WT4 H ATOM 51676 OH2 TIP3 8509 31.722 45.768 16.328 1.00 0.00 WT4 O ATOM 51677 H1 TIP3 8509 32.407 45.496 15.717 1.00 0.00 WT4 H ATOM 51678 H2 TIP3 8509 32.195 46.040 17.114 1.00 0.00 WT4 H ATOM 51679 OH2 TIP3 8513 65.306 30.413 -12.101 1.00 0.00 WT4 O ATOM 51680 H1 TIP3 8513 65.151 31.294 -11.760 1.00 0.00 WT4 H ATOM 51681 H2 TIP3 8513 64.432 30.077 -12.301 1.00 0.00 WT4 H ATOM 51682 OH2 TIP3 8515 77.342 29.753 54.102 1.00 0.00 WT4 O ATOM 51683 H1 TIP3 8515 77.932 29.644 53.356 1.00 0.00 WT4 H ATOM 51684 H2 TIP3 8515 77.686 29.159 54.769 1.00 0.00 WT4 H ATOM 51685 OH2 TIP3 8516 56.750 19.683 -18.364 1.00 0.00 WT4 O ATOM 51686 H1 TIP3 8516 57.665 19.891 -18.176 1.00 0.00 WT4 H ATOM 51687 H2 TIP3 8516 56.647 18.775 -18.082 1.00 0.00 WT4 H ATOM 51688 OH2 TIP3 8528 72.291 9.257 42.269 1.00 0.00 WT4 O ATOM 51689 H1 TIP3 8528 71.683 9.769 41.735 1.00 0.00 WT4 H ATOM 51690 H2 TIP3 8528 71.952 8.363 42.227 1.00 0.00 WT4 H ATOM 51691 OH2 TIP3 8529 32.768 69.099 47.231 1.00 0.00 WT4 O ATOM 51692 H1 TIP3 8529 32.924 68.305 46.719 1.00 0.00 WT4 H ATOM 51693 H2 TIP3 8529 32.055 69.544 46.772 1.00 0.00 WT4 H ATOM 51694 OH2 TIP3 8530 20.199 87.467 57.723 1.00 0.00 WT4 O ATOM 51695 H1 TIP3 8530 20.426 87.041 58.550 1.00 0.00 WT4 H ATOM 51696 H2 TIP3 8530 20.782 88.225 57.676 1.00 0.00 WT4 H ATOM 51697 OH2 TIP3 8531 41.286 82.867 -4.308 1.00 0.00 WT4 O ATOM 51698 H1 TIP3 8531 41.984 82.683 -3.680 1.00 0.00 WT4 H ATOM 51699 H2 TIP3 8531 40.677 83.432 -3.832 1.00 0.00 WT4 H ATOM 51700 OH2 TIP3 8532 86.245 7.203 -17.900 1.00 0.00 WT4 O ATOM 51701 H1 TIP3 8532 86.889 6.523 -17.702 1.00 0.00 WT4 H ATOM 51702 H2 TIP3 8532 85.701 7.254 -17.114 1.00 0.00 WT4 H ATOM 51703 OH2 TIP3 8534 50.560 61.964 -12.183 1.00 0.00 WT4 O ATOM 51704 H1 TIP3 8534 50.126 61.630 -11.398 1.00 0.00 WT4 H ATOM 51705 H2 TIP3 8534 49.851 62.323 -12.716 1.00 0.00 WT4 H ATOM 51706 OH2 TIP3 8535 54.718 68.043 -9.258 1.00 0.00 WT4 O ATOM 51707 H1 TIP3 8535 54.323 68.246 -8.410 1.00 0.00 WT4 H ATOM 51708 H2 TIP3 8535 54.758 67.086 -9.281 1.00 0.00 WT4 H ATOM 51709 OH2 TIP3 8536 43.044 54.291 49.771 1.00 0.00 WT4 O ATOM 51710 H1 TIP3 8536 42.717 53.996 50.620 1.00 0.00 WT4 H ATOM 51711 H2 TIP3 8536 43.930 54.607 49.951 1.00 0.00 WT4 H ATOM 51712 OH2 TIP3 8539 68.414 72.328 24.642 1.00 0.00 WT4 O ATOM 51713 H1 TIP3 8539 67.577 72.683 24.939 1.00 0.00 WT4 H ATOM 51714 H2 TIP3 8539 68.178 71.675 23.983 1.00 0.00 WT4 H ATOM 51715 OH2 TIP3 8543 25.508 11.178 -13.467 1.00 0.00 WT4 O ATOM 51716 H1 TIP3 8543 25.014 11.544 -14.201 1.00 0.00 WT4 H ATOM 51717 H2 TIP3 8543 24.846 10.757 -12.919 1.00 0.00 WT4 H ATOM 51718 OH2 TIP3 8548 75.615 77.692 21.377 1.00 0.00 WT4 O ATOM 51719 H1 TIP3 8548 75.080 78.032 22.094 1.00 0.00 WT4 H ATOM 51720 H2 TIP3 8548 76.127 76.986 21.773 1.00 0.00 WT4 H ATOM 51721 OH2 TIP3 8549 29.785 9.947 10.083 1.00 0.00 WT4 O ATOM 51722 H1 TIP3 8549 29.865 10.219 9.169 1.00 0.00 WT4 H ATOM 51723 H2 TIP3 8549 30.639 9.573 10.299 1.00 0.00 WT4 H ATOM 51724 OH2 TIP3 8550 26.666 45.158 51.130 1.00 0.00 WT4 O ATOM 51725 H1 TIP3 8550 27.409 44.560 51.041 1.00 0.00 WT4 H ATOM 51726 H2 TIP3 8550 27.027 46.020 50.925 1.00 0.00 WT4 H ATOM 51727 OH2 TIP3 8554 60.929 96.166 -7.776 1.00 0.00 WT4 O ATOM 51728 H1 TIP3 8554 61.100 96.167 -6.834 1.00 0.00 WT4 H ATOM 51729 H2 TIP3 8554 61.791 96.278 -8.176 1.00 0.00 WT4 H ATOM 51730 OH2 TIP3 8556 74.227 79.938 40.453 1.00 0.00 WT4 O ATOM 51731 H1 TIP3 8556 74.852 79.213 40.443 1.00 0.00 WT4 H ATOM 51732 H2 TIP3 8556 73.808 79.905 39.593 1.00 0.00 WT4 H ATOM 51733 OH2 TIP3 8558 58.845 74.576 60.500 1.00 0.00 WT4 O ATOM 51734 H1 TIP3 8558 58.694 73.633 60.443 1.00 0.00 WT4 H ATOM 51735 H2 TIP3 8558 59.649 74.721 60.001 1.00 0.00 WT4 H ATOM 51736 OH2 TIP3 8571 74.146 4.218 2.212 1.00 0.00 WT4 O ATOM 51737 H1 TIP3 8571 74.128 4.845 1.488 1.00 0.00 WT4 H ATOM 51738 H2 TIP3 8571 74.599 3.454 1.856 1.00 0.00 WT4 H ATOM 51739 OH2 TIP3 8573 70.538 90.388 45.912 1.00 0.00 WT4 O ATOM 51740 H1 TIP3 8573 70.068 91.072 45.436 1.00 0.00 WT4 H ATOM 51741 H2 TIP3 8573 70.503 90.664 46.828 1.00 0.00 WT4 H ATOM 51742 OH2 TIP3 8574 36.973 67.093 4.087 1.00 0.00 WT4 O ATOM 51743 H1 TIP3 8574 37.898 67.291 4.231 1.00 0.00 WT4 H ATOM 51744 H2 TIP3 8574 36.721 66.561 4.841 1.00 0.00 WT4 H ATOM 51745 OH2 TIP3 8590 74.562 93.623 42.415 1.00 0.00 WT4 O ATOM 51746 H1 TIP3 8590 74.887 94.500 42.210 1.00 0.00 WT4 H ATOM 51747 H2 TIP3 8590 73.795 93.514 41.852 1.00 0.00 WT4 H ATOM 51748 OH2 TIP3 8594 64.339 1.007 35.608 1.00 0.00 WT4 O ATOM 51749 H1 TIP3 8594 64.031 1.895 35.429 1.00 0.00 WT4 H ATOM 51750 H2 TIP3 8594 64.047 0.496 34.853 1.00 0.00 WT4 H ATOM 51751 OH2 TIP3 8632 59.541 47.718 57.904 1.00 0.00 WT4 O ATOM 51752 H1 TIP3 8632 59.986 48.560 58.004 1.00 0.00 WT4 H ATOM 51753 H2 TIP3 8632 59.338 47.445 58.799 1.00 0.00 WT4 H ATOM 51754 OH2 TIP3 8638 21.322 84.226 66.309 1.00 0.00 WT4 O ATOM 51755 H1 TIP3 8638 20.662 84.146 65.620 1.00 0.00 WT4 H ATOM 51756 H2 TIP3 8638 22.144 83.985 65.882 1.00 0.00 WT4 H ATOM 51757 OH2 TIP3 8640 86.023 36.917 35.469 1.00 0.00 WT4 O ATOM 51758 H1 TIP3 8640 85.592 37.763 35.344 1.00 0.00 WT4 H ATOM 51759 H2 TIP3 8640 85.307 36.306 35.641 1.00 0.00 WT4 H ATOM 51760 OH2 TIP3 8760 78.171 64.853 -16.765 1.00 0.00 WT4 O ATOM 51761 H1 TIP3 8760 79.061 65.060 -17.053 1.00 0.00 WT4 H ATOM 51762 H2 TIP3 8760 78.284 64.148 -16.128 1.00 0.00 WT4 H ATOM 51763 OH2 TIP3 8777 64.889 1.489 53.879 1.00 0.00 WT4 O ATOM 51764 H1 TIP3 8777 65.242 0.600 53.896 1.00 0.00 WT4 H ATOM 51765 H2 TIP3 8777 63.962 1.375 53.670 1.00 0.00 WT4 H ATOM 51766 OH2 TIP3 8780 54.785 94.962 -1.418 1.00 0.00 WT4 O ATOM 51767 H1 TIP3 8780 54.620 94.315 -2.104 1.00 0.00 WT4 H ATOM 51768 H2 TIP3 8780 55.379 94.521 -0.811 1.00 0.00 WT4 H ATOM 51769 OH2 TIP3 8790 87.484 10.816 -3.462 1.00 0.00 WT4 O ATOM 51770 H1 TIP3 8790 87.081 10.069 -3.904 1.00 0.00 WT4 H ATOM 51771 H2 TIP3 8790 87.250 11.570 -4.003 1.00 0.00 WT4 H ATOM 51772 OH2 TIP3 8801 27.470 95.742 42.442 1.00 0.00 WT4 O ATOM 51773 H1 TIP3 8801 28.256 96.208 42.157 1.00 0.00 WT4 H ATOM 51774 H2 TIP3 8801 27.195 95.242 41.673 1.00 0.00 WT4 H ATOM 51775 OH2 TIP3 8802 82.583 85.775 -19.537 1.00 0.00 WT4 O ATOM 51776 H1 TIP3 8802 83.384 85.822 -19.016 1.00 0.00 WT4 H ATOM 51777 H2 TIP3 8802 81.877 85.914 -18.905 1.00 0.00 WT4 H ATOM 51778 OH2 TIP3 8803 19.985 86.605 31.246 1.00 0.00 WT4 O ATOM 51779 H1 TIP3 8803 20.055 86.010 31.993 1.00 0.00 WT4 H ATOM 51780 H2 TIP3 8803 20.778 87.138 31.290 1.00 0.00 WT4 H ATOM 51781 OH2 TIP3 8807 52.922 3.217 26.493 1.00 0.00 WT4 O ATOM 51782 H1 TIP3 8807 52.888 4.137 26.756 1.00 0.00 WT4 H ATOM 51783 H2 TIP3 8807 52.185 3.112 25.891 1.00 0.00 WT4 H ATOM 51784 OH2 TIP3 8820 41.159 28.655 44.961 1.00 0.00 WT4 O ATOM 51785 H1 TIP3 8820 41.035 28.426 44.040 1.00 0.00 WT4 H ATOM 51786 H2 TIP3 8820 42.100 28.809 45.045 1.00 0.00 WT4 H ATOM 51787 OH2 TIP3 8822 82.692 7.671 4.289 1.00 0.00 WT4 O ATOM 51788 H1 TIP3 8822 82.609 6.988 3.624 1.00 0.00 WT4 H ATOM 51789 H2 TIP3 8822 83.412 7.377 4.847 1.00 0.00 WT4 H ATOM 51790 OH2 TIP3 8823 25.239 45.897 0.103 1.00 0.00 WT4 O ATOM 51791 H1 TIP3 8823 26.057 46.392 0.121 1.00 0.00 WT4 H ATOM 51792 H2 TIP3 8823 25.185 45.490 0.967 1.00 0.00 WT4 H ATOM 51793 OH2 TIP3 8829 22.889 60.923 40.821 1.00 0.00 WT4 O ATOM 51794 H1 TIP3 8829 22.410 61.190 40.036 1.00 0.00 WT4 H ATOM 51795 H2 TIP3 8829 23.800 60.855 40.535 1.00 0.00 WT4 H ATOM 51796 OH2 TIP3 8830 24.265 53.573 -2.081 1.00 0.00 WT4 O ATOM 51797 H1 TIP3 8830 24.036 53.342 -2.981 1.00 0.00 WT4 H ATOM 51798 H2 TIP3 8830 25.204 53.756 -2.112 1.00 0.00 WT4 H ATOM 51799 OH2 TIP3 8842 62.162 39.172 1.280 1.00 0.00 WT4 O ATOM 51800 H1 TIP3 8842 61.465 39.752 1.585 1.00 0.00 WT4 H ATOM 51801 H2 TIP3 8842 61.782 38.713 0.531 1.00 0.00 WT4 H ATOM 51802 OH2 TIP3 8843 44.564 60.354 48.930 1.00 0.00 WT4 O ATOM 51803 H1 TIP3 8843 45.320 60.933 49.033 1.00 0.00 WT4 H ATOM 51804 H2 TIP3 8843 44.164 60.626 48.104 1.00 0.00 WT4 H ATOM 51805 OH2 TIP3 8844 68.218 93.684 -16.057 1.00 0.00 WT4 O ATOM 51806 H1 TIP3 8844 67.790 94.540 -16.077 1.00 0.00 WT4 H ATOM 51807 H2 TIP3 8844 68.653 93.653 -15.204 1.00 0.00 WT4 H ATOM 51808 OH2 TIP3 8845 78.508 40.636 37.979 1.00 0.00 WT4 O ATOM 51809 H1 TIP3 8845 78.879 40.913 37.142 1.00 0.00 WT4 H ATOM 51810 H2 TIP3 8845 77.716 40.153 37.742 1.00 0.00 WT4 H ATOM 51811 OH2 TIP3 8846 51.542 31.068 46.092 1.00 0.00 WT4 O ATOM 51812 H1 TIP3 8846 50.607 31.230 46.211 1.00 0.00 WT4 H ATOM 51813 H2 TIP3 8846 51.848 31.803 45.560 1.00 0.00 WT4 H ATOM 51814 OH2 TIP3 8847 87.005 50.516 -15.040 1.00 0.00 WT4 O ATOM 51815 H1 TIP3 8847 87.864 50.162 -15.268 1.00 0.00 WT4 H ATOM 51816 H2 TIP3 8847 86.933 51.321 -15.553 1.00 0.00 WT4 H ATOM 51817 OH2 TIP3 8849 55.573 63.395 36.627 1.00 0.00 WT4 O ATOM 51818 H1 TIP3 8849 55.425 62.599 37.137 1.00 0.00 WT4 H ATOM 51819 H2 TIP3 8849 55.249 63.184 35.752 1.00 0.00 WT4 H ATOM 51820 OH2 TIP3 8863 67.842 78.484 -16.315 1.00 0.00 WT4 O ATOM 51821 H1 TIP3 8863 67.047 78.896 -16.654 1.00 0.00 WT4 H ATOM 51822 H2 TIP3 8863 67.768 77.567 -16.579 1.00 0.00 WT4 H ATOM 51823 OH2 TIP3 8865 68.755 83.429 28.121 1.00 0.00 WT4 O ATOM 51824 H1 TIP3 8865 68.519 82.512 27.982 1.00 0.00 WT4 H ATOM 51825 H2 TIP3 8865 68.522 83.864 27.302 1.00 0.00 WT4 H ATOM 51826 OH2 TIP3 8866 40.764 75.224 59.067 1.00 0.00 WT4 O ATOM 51827 H1 TIP3 8866 41.099 75.018 58.194 1.00 0.00 WT4 H ATOM 51828 H2 TIP3 8866 40.231 76.009 58.941 1.00 0.00 WT4 H ATOM 51829 OH2 TIP3 8867 35.162 54.961 13.119 1.00 0.00 WT4 O ATOM 51830 H1 TIP3 8867 35.650 55.769 12.962 1.00 0.00 WT4 H ATOM 51831 H2 TIP3 8867 35.318 54.762 14.042 1.00 0.00 WT4 H ATOM 51832 OH2 TIP3 8869 39.655 78.787 19.845 1.00 0.00 WT4 O ATOM 51833 H1 TIP3 8869 40.315 78.163 19.545 1.00 0.00 WT4 H ATOM 51834 H2 TIP3 8869 38.825 78.429 19.530 1.00 0.00 WT4 H ATOM 51835 OH2 TIP3 8883 62.471 76.951 23.330 1.00 0.00 WT4 O ATOM 51836 H1 TIP3 8883 62.956 76.787 22.521 1.00 0.00 WT4 H ATOM 51837 H2 TIP3 8883 61.616 77.267 23.037 1.00 0.00 WT4 H ATOM 51838 OH2 TIP3 8884 49.212 96.069 -17.700 1.00 0.00 WT4 O ATOM 51839 H1 TIP3 8884 48.293 96.096 -17.434 1.00 0.00 WT4 H ATOM 51840 H2 TIP3 8884 49.204 96.341 -18.618 1.00 0.00 WT4 H ATOM 51841 OH2 TIP3 8885 67.547 47.267 35.664 1.00 0.00 WT4 O ATOM 51842 H1 TIP3 8885 66.894 46.748 35.193 1.00 0.00 WT4 H ATOM 51843 H2 TIP3 8885 67.128 48.117 35.797 1.00 0.00 WT4 H ATOM 51844 OH2 TIP3 8886 28.047 85.355 10.433 1.00 0.00 WT4 O ATOM 51845 H1 TIP3 8886 27.999 84.906 11.277 1.00 0.00 WT4 H ATOM 51846 H2 TIP3 8886 27.560 84.792 9.832 1.00 0.00 WT4 H ATOM 51847 OH2 TIP3 8887 25.509 74.062 46.405 1.00 0.00 WT4 O ATOM 51848 H1 TIP3 8887 25.807 73.326 45.870 1.00 0.00 WT4 H ATOM 51849 H2 TIP3 8887 25.998 74.814 46.071 1.00 0.00 WT4 H ATOM 51850 OH2 TIP3 8901 26.826 51.472 39.288 1.00 0.00 WT4 O ATOM 51851 H1 TIP3 8901 25.870 51.434 39.240 1.00 0.00 WT4 H ATOM 51852 H2 TIP3 8901 27.007 51.882 40.134 1.00 0.00 WT4 H ATOM 51853 OH2 TIP3 8903 64.223 37.993 25.845 1.00 0.00 WT4 O ATOM 51854 H1 TIP3 8903 63.434 38.453 25.557 1.00 0.00 WT4 H ATOM 51855 H2 TIP3 8903 64.087 37.087 25.569 1.00 0.00 WT4 H ATOM 51856 OH2 TIP3 8905 30.017 40.440 55.896 1.00 0.00 WT4 O ATOM 51857 H1 TIP3 8905 30.922 40.549 55.603 1.00 0.00 WT4 H ATOM 51858 H2 TIP3 8905 30.020 40.745 56.803 1.00 0.00 WT4 H ATOM 51859 OH2 TIP3 8907 63.023 54.835 -8.983 1.00 0.00 WT4 O ATOM 51860 H1 TIP3 8907 62.070 54.924 -8.954 1.00 0.00 WT4 H ATOM 51861 H2 TIP3 8907 63.329 55.274 -8.190 1.00 0.00 WT4 H ATOM 51862 OH2 TIP3 8911 74.224 67.780 43.080 1.00 0.00 WT4 O ATOM 51863 H1 TIP3 8911 74.343 67.081 43.722 1.00 0.00 WT4 H ATOM 51864 H2 TIP3 8911 75.112 68.065 42.866 1.00 0.00 WT4 H ATOM 51865 OH2 TIP3 8913 25.424 89.934 44.686 1.00 0.00 WT4 O ATOM 51866 H1 TIP3 8913 25.960 89.654 43.943 1.00 0.00 WT4 H ATOM 51867 H2 TIP3 8913 24.854 90.614 44.328 1.00 0.00 WT4 H ATOM 51868 OH2 TIP3 8914 79.552 94.586 41.075 1.00 0.00 WT4 O ATOM 51869 H1 TIP3 8914 79.942 95.193 41.704 1.00 0.00 WT4 H ATOM 51870 H2 TIP3 8914 79.878 94.880 40.224 1.00 0.00 WT4 H ATOM 51871 OH2 TIP3 8925 58.831 81.335 40.194 1.00 0.00 WT4 O ATOM 51872 H1 TIP3 8925 58.947 80.631 39.555 1.00 0.00 WT4 H ATOM 51873 H2 TIP3 8925 59.720 81.632 40.388 1.00 0.00 WT4 H ATOM 51874 OH2 TIP3 8926 30.301 79.412 48.893 1.00 0.00 WT4 O ATOM 51875 H1 TIP3 8926 29.479 78.941 48.753 1.00 0.00 WT4 H ATOM 51876 H2 TIP3 8926 30.903 78.748 49.230 1.00 0.00 WT4 H ATOM 51877 OH2 TIP3 8927 88.647 85.153 42.344 1.00 0.00 WT4 O ATOM 51878 H1 TIP3 8927 87.849 85.623 42.101 1.00 0.00 WT4 H ATOM 51879 H2 TIP3 8927 89.124 85.764 42.906 1.00 0.00 WT4 H ATOM 51880 OH2 TIP3 8929 56.975 13.834 64.377 1.00 0.00 WT4 O ATOM 51881 H1 TIP3 8929 56.614 12.956 64.260 1.00 0.00 WT4 H ATOM 51882 H2 TIP3 8929 56.272 14.329 64.799 1.00 0.00 WT4 H ATOM 51883 OH2 TIP3 8930 41.552 75.680 1.617 1.00 0.00 WT4 O ATOM 51884 H1 TIP3 8930 41.567 75.513 2.560 1.00 0.00 WT4 H ATOM 51885 H2 TIP3 8930 42.203 75.077 1.257 1.00 0.00 WT4 H ATOM 51886 OH2 TIP3 8931 81.092 68.607 -1.680 1.00 0.00 WT4 O ATOM 51887 H1 TIP3 8931 80.558 69.004 -0.992 1.00 0.00 WT4 H ATOM 51888 H2 TIP3 8931 81.471 67.830 -1.271 1.00 0.00 WT4 H ATOM 51889 OH2 TIP3 8932 85.082 45.028 7.473 1.00 0.00 WT4 O ATOM 51890 H1 TIP3 8932 84.558 44.251 7.278 1.00 0.00 WT4 H ATOM 51891 H2 TIP3 8932 85.695 45.094 6.740 1.00 0.00 WT4 H ATOM 51892 OH2 TIP3 8935 27.117 19.753 -19.275 1.00 0.00 WT4 O ATOM 51893 H1 TIP3 8935 27.931 19.800 -19.776 1.00 0.00 WT4 H ATOM 51894 H2 TIP3 8935 26.588 19.101 -19.736 1.00 0.00 WT4 H ATOM 51895 OH2 TIP3 8944 42.768 69.101 33.847 1.00 0.00 WT4 O ATOM 51896 H1 TIP3 8944 43.108 68.366 33.336 1.00 0.00 WT4 H ATOM 51897 H2 TIP3 8944 43.534 69.452 34.301 1.00 0.00 WT4 H ATOM 51898 OH2 TIP3 8949 58.600 41.924 -16.657 1.00 0.00 WT4 O ATOM 51899 H1 TIP3 8949 58.672 42.822 -16.332 1.00 0.00 WT4 H ATOM 51900 H2 TIP3 8949 59.478 41.558 -16.547 1.00 0.00 WT4 H ATOM 51901 OH2 TIP3 8951 23.936 69.254 19.409 1.00 0.00 WT4 O ATOM 51902 H1 TIP3 8951 23.600 68.591 20.011 1.00 0.00 WT4 H ATOM 51903 H2 TIP3 8951 24.622 69.702 19.903 1.00 0.00 WT4 H ATOM 51904 OH2 TIP3 8953 73.190 56.305 17.700 1.00 0.00 WT4 O ATOM 51905 H1 TIP3 8953 72.272 56.204 17.448 1.00 0.00 WT4 H ATOM 51906 H2 TIP3 8953 73.682 55.955 16.957 1.00 0.00 WT4 H ATOM 51907 OH2 TIP3 8954 63.573 77.241 33.403 1.00 0.00 WT4 O ATOM 51908 H1 TIP3 8954 62.958 76.788 33.980 1.00 0.00 WT4 H ATOM 51909 H2 TIP3 8954 63.336 76.948 32.523 1.00 0.00 WT4 H ATOM 51910 OH2 TIP3 8969 22.820 16.260 58.330 1.00 0.00 WT4 O ATOM 51911 H1 TIP3 8969 23.286 15.732 57.681 1.00 0.00 WT4 H ATOM 51912 H2 TIP3 8969 23.272 16.082 59.154 1.00 0.00 WT4 H ATOM 51913 OH2 TIP3 8970 57.431 90.855 -16.262 1.00 0.00 WT4 O ATOM 51914 H1 TIP3 8970 57.527 89.977 -15.892 1.00 0.00 WT4 H ATOM 51915 H2 TIP3 8970 57.167 90.705 -17.170 1.00 0.00 WT4 H ATOM 51916 OH2 TIP3 8972 22.777 19.005 59.257 1.00 0.00 WT4 O ATOM 51917 H1 TIP3 8972 22.948 18.190 58.785 1.00 0.00 WT4 H ATOM 51918 H2 TIP3 8972 23.155 18.863 60.125 1.00 0.00 WT4 H ATOM 51919 OH2 TIP3 8973 47.671 57.700 65.310 1.00 0.00 WT4 O ATOM 51920 H1 TIP3 8973 48.207 57.951 66.063 1.00 0.00 WT4 H ATOM 51921 H2 TIP3 8973 47.218 58.505 65.059 1.00 0.00 WT4 H ATOM 51922 OH2 TIP3 8974 31.805 81.616 59.316 1.00 0.00 WT4 O ATOM 51923 H1 TIP3 8974 32.641 81.195 59.111 1.00 0.00 WT4 H ATOM 51924 H2 TIP3 8974 32.044 82.380 59.841 1.00 0.00 WT4 H ATOM 51925 OH2 TIP3 8975 67.617 24.730 12.590 1.00 0.00 WT4 O ATOM 51926 H1 TIP3 8975 68.344 24.732 13.212 1.00 0.00 WT4 H ATOM 51927 H2 TIP3 8975 66.843 24.911 13.124 1.00 0.00 WT4 H ATOM 51928 OH2 TIP3 8976 44.309 11.721 2.610 1.00 0.00 WT4 O ATOM 51929 H1 TIP3 8976 44.617 12.246 3.349 1.00 0.00 WT4 H ATOM 51930 H2 TIP3 8976 43.879 12.351 2.031 1.00 0.00 WT4 H ATOM 51931 OH2 TIP3 8977 34.742 86.264 1.458 1.00 0.00 WT4 O ATOM 51932 H1 TIP3 8977 35.133 85.478 1.076 1.00 0.00 WT4 H ATOM 51933 H2 TIP3 8977 35.345 86.516 2.157 1.00 0.00 WT4 H ATOM 51934 OH2 TIP3 8978 38.061 37.798 -16.068 1.00 0.00 WT4 O ATOM 51935 H1 TIP3 8978 38.030 37.112 -15.402 1.00 0.00 WT4 H ATOM 51936 H2 TIP3 8978 38.048 38.616 -15.571 1.00 0.00 WT4 H ATOM 51937 OH2 TIP3 8988 42.613 50.326 2.018 1.00 0.00 WT4 O ATOM 51938 H1 TIP3 8988 42.368 51.249 1.951 1.00 0.00 WT4 H ATOM 51939 H2 TIP3 8988 42.870 50.212 2.933 1.00 0.00 WT4 H ATOM 51940 OH2 TIP3 8992 29.191 7.081 42.758 1.00 0.00 WT4 O ATOM 51941 H1 TIP3 8992 29.278 7.722 42.052 1.00 0.00 WT4 H ATOM 51942 H2 TIP3 8992 29.592 7.504 43.517 1.00 0.00 WT4 H ATOM 51943 OH2 TIP3 8995 47.187 79.642 59.101 1.00 0.00 WT4 O ATOM 51944 H1 TIP3 8995 46.267 79.600 59.362 1.00 0.00 WT4 H ATOM 51945 H2 TIP3 8995 47.413 78.741 58.870 1.00 0.00 WT4 H ATOM 51946 OH2 TIP3 8996 58.235 81.508 32.016 1.00 0.00 WT4 O ATOM 51947 H1 TIP3 8996 58.266 81.177 31.119 1.00 0.00 WT4 H ATOM 51948 H2 TIP3 8996 57.347 81.851 32.115 1.00 0.00 WT4 H ATOM 51949 OH2 TIP3 8997 45.234 84.714 -9.264 1.00 0.00 WT4 O ATOM 51950 H1 TIP3 8997 45.421 85.545 -8.826 1.00 0.00 WT4 H ATOM 51951 H2 TIP3 8997 45.351 84.902 -10.195 1.00 0.00 WT4 H ATOM 51952 OH2 TIP3 9008 64.298 76.340 21.043 1.00 0.00 WT4 O ATOM 51953 H1 TIP3 9008 64.987 76.104 21.664 1.00 0.00 WT4 H ATOM 51954 H2 TIP3 9008 63.847 75.516 20.860 1.00 0.00 WT4 H ATOM 51955 OH2 TIP3 9009 29.439 53.077 25.331 1.00 0.00 WT4 O ATOM 51956 H1 TIP3 9009 30.293 53.269 24.943 1.00 0.00 WT4 H ATOM 51957 H2 TIP3 9009 28.853 53.737 24.960 1.00 0.00 WT4 H ATOM 51958 OH2 TIP3 9014 31.545 68.668 52.989 1.00 0.00 WT4 O ATOM 51959 H1 TIP3 9014 32.062 67.868 53.081 1.00 0.00 WT4 H ATOM 51960 H2 TIP3 9014 31.619 68.895 52.062 1.00 0.00 WT4 H ATOM 51961 OH2 TIP3 9015 23.883 58.292 52.598 1.00 0.00 WT4 O ATOM 51962 H1 TIP3 9015 24.174 59.200 52.506 1.00 0.00 WT4 H ATOM 51963 H2 TIP3 9015 22.933 58.333 52.491 1.00 0.00 WT4 H ATOM 51964 OH2 TIP3 9019 44.326 8.974 61.359 1.00 0.00 WT4 O ATOM 51965 H1 TIP3 9019 45.272 8.973 61.508 1.00 0.00 WT4 H ATOM 51966 H2 TIP3 9019 44.228 9.241 60.445 1.00 0.00 WT4 H ATOM 51967 OH2 TIP3 9024 44.836 25.327 -15.896 1.00 0.00 WT4 O ATOM 51968 H1 TIP3 9024 44.082 25.606 -16.416 1.00 0.00 WT4 H ATOM 51969 H2 TIP3 9024 44.637 25.621 -15.007 1.00 0.00 WT4 H ATOM 51970 OH2 TIP3 9039 45.500 15.032 4.594 1.00 0.00 WT4 O ATOM 51971 H1 TIP3 9039 46.099 14.295 4.480 1.00 0.00 WT4 H ATOM 51972 H2 TIP3 9039 45.149 15.195 3.718 1.00 0.00 WT4 H ATOM 51973 OH2 TIP3 9047 66.941 90.095 9.502 1.00 0.00 WT4 O ATOM 51974 H1 TIP3 9047 66.561 90.307 8.649 1.00 0.00 WT4 H ATOM 51975 H2 TIP3 9047 66.367 89.417 9.859 1.00 0.00 WT4 H ATOM 51976 OH2 TIP3 9054 26.150 74.374 18.625 1.00 0.00 WT4 O ATOM 51977 H1 TIP3 9054 26.490 73.481 18.675 1.00 0.00 WT4 H ATOM 51978 H2 TIP3 9054 26.679 74.794 17.947 1.00 0.00 WT4 H ATOM 51979 OH2 TIP3 9055 23.994 45.455 55.388 1.00 0.00 WT4 O ATOM 51980 H1 TIP3 9055 23.130 45.754 55.104 1.00 0.00 WT4 H ATOM 51981 H2 TIP3 9055 23.981 45.554 56.340 1.00 0.00 WT4 H ATOM 51982 OH2 TIP3 9060 63.263 92.530 -2.967 1.00 0.00 WT4 O ATOM 51983 H1 TIP3 9060 62.856 91.709 -2.690 1.00 0.00 WT4 H ATOM 51984 H2 TIP3 9060 63.543 92.945 -2.151 1.00 0.00 WT4 H ATOM 51985 OH2 TIP3 9072 39.604 11.263 10.556 1.00 0.00 WT4 O ATOM 51986 H1 TIP3 9072 38.846 10.755 10.267 1.00 0.00 WT4 H ATOM 51987 H2 TIP3 9072 40.082 11.460 9.751 1.00 0.00 WT4 H ATOM 51988 OH2 TIP3 9082 51.883 14.808 49.817 1.00 0.00 WT4 O ATOM 51989 H1 TIP3 9082 52.366 13.982 49.808 1.00 0.00 WT4 H ATOM 51990 H2 TIP3 9082 51.061 14.610 49.370 1.00 0.00 WT4 H ATOM 51991 OH2 TIP3 9094 34.664 94.518 39.007 1.00 0.00 WT4 O ATOM 51992 H1 TIP3 9094 34.285 94.094 39.777 1.00 0.00 WT4 H ATOM 51993 H2 TIP3 9094 35.164 93.826 38.574 1.00 0.00 WT4 H ATOM 51994 OH2 TIP3 9096 72.244 63.233 -17.196 1.00 0.00 WT4 O ATOM 51995 H1 TIP3 9096 72.988 63.828 -17.285 1.00 0.00 WT4 H ATOM 51996 H2 TIP3 9096 72.344 62.614 -17.919 1.00 0.00 WT4 H ATOM 51997 OH2 TIP3 9117 69.400 15.130 41.896 1.00 0.00 WT4 O ATOM 51998 H1 TIP3 9117 69.271 14.198 42.071 1.00 0.00 WT4 H ATOM 51999 H2 TIP3 9117 70.302 15.194 41.583 1.00 0.00 WT4 H ATOM 52000 OH2 TIP3 9201 49.749 23.267 2.946 1.00 0.00 WT4 O ATOM 52001 H1 TIP3 9201 50.691 23.170 3.083 1.00 0.00 WT4 H ATOM 52002 H2 TIP3 9201 49.357 22.573 3.476 1.00 0.00 WT4 H ATOM 52003 OH2 TIP3 9226 55.271 86.931 11.924 1.00 0.00 WT4 O ATOM 52004 H1 TIP3 9226 55.736 87.552 11.364 1.00 0.00 WT4 H ATOM 52005 H2 TIP3 9226 54.821 87.479 12.567 1.00 0.00 WT4 H ATOM 52006 OH2 TIP3 9241 49.406 86.437 -15.851 1.00 0.00 WT4 O ATOM 52007 H1 TIP3 9241 49.813 86.165 -15.028 1.00 0.00 WT4 H ATOM 52008 H2 TIP3 9241 48.665 86.981 -15.584 1.00 0.00 WT4 H ATOM 52009 OH2 TIP3 9243 77.632 96.501 32.759 1.00 0.00 WT4 O ATOM 52010 H1 TIP3 9243 78.278 95.904 32.382 1.00 0.00 WT4 H ATOM 52011 H2 TIP3 9243 77.555 96.225 33.672 1.00 0.00 WT4 H ATOM 52012 OH2 TIP3 9246 75.742 69.539 -20.162 1.00 0.00 WT4 O ATOM 52013 H1 TIP3 9246 75.558 70.474 -20.242 1.00 0.00 WT4 H ATOM 52014 H2 TIP3 9246 75.325 69.281 -19.340 1.00 0.00 WT4 H ATOM 52015 OH2 TIP3 9250 23.681 39.485 52.642 1.00 0.00 WT4 O ATOM 52016 H1 TIP3 9250 23.374 40.191 53.210 1.00 0.00 WT4 H ATOM 52017 H2 TIP3 9250 24.452 39.135 53.090 1.00 0.00 WT4 H ATOM 52018 OH2 TIP3 9261 31.163 36.655 62.666 1.00 0.00 WT4 O ATOM 52019 H1 TIP3 9261 31.986 36.175 62.758 1.00 0.00 WT4 H ATOM 52020 H2 TIP3 9261 30.855 36.437 61.787 1.00 0.00 WT4 H ATOM 52021 OH2 TIP3 2 33.080 3.155 -3.392 1.00 0.00 WT5 O ATOM 52022 H1 TIP3 2 33.068 4.107 -3.483 1.00 0.00 WT5 H ATOM 52023 H2 TIP3 2 33.519 2.999 -2.555 1.00 0.00 WT5 H ATOM 52024 OH2 TIP3 5 27.765 56.398 1.575 1.00 0.00 WT5 O ATOM 52025 H1 TIP3 5 28.458 55.964 1.078 1.00 0.00 WT5 H ATOM 52026 H2 TIP3 5 27.021 56.426 0.975 1.00 0.00 WT5 H ATOM 52027 OH2 TIP3 8 84.098 21.590 34.235 1.00 0.00 WT5 O ATOM 52028 H1 TIP3 8 84.891 22.125 34.269 1.00 0.00 WT5 H ATOM 52029 H2 TIP3 8 84.403 20.697 34.396 1.00 0.00 WT5 H ATOM 52030 OH2 TIP3 14 38.631 39.250 -12.224 1.00 0.00 WT5 O ATOM 52031 H1 TIP3 14 37.698 39.225 -12.439 1.00 0.00 WT5 H ATOM 52032 H2 TIP3 14 38.822 40.179 -12.093 1.00 0.00 WT5 H ATOM 52033 OH2 TIP3 15 66.275 50.932 8.731 1.00 0.00 WT5 O ATOM 52034 H1 TIP3 15 66.982 51.037 9.368 1.00 0.00 WT5 H ATOM 52035 H2 TIP3 15 65.502 51.288 9.170 1.00 0.00 WT5 H ATOM 52036 OH2 TIP3 19 24.358 30.640 27.977 1.00 0.00 WT5 O ATOM 52037 H1 TIP3 19 24.036 31.540 27.927 1.00 0.00 WT5 H ATOM 52038 H2 TIP3 19 24.772 30.486 27.127 1.00 0.00 WT5 H ATOM 52039 OH2 TIP3 40 70.187 93.416 44.698 1.00 0.00 WT5 O ATOM 52040 H1 TIP3 40 69.305 93.179 44.410 1.00 0.00 WT5 H ATOM 52041 H2 TIP3 40 70.528 93.969 43.995 1.00 0.00 WT5 H ATOM 52042 OH2 TIP3 42 77.954 52.085 36.973 1.00 0.00 WT5 O ATOM 52043 H1 TIP3 42 78.260 52.878 37.414 1.00 0.00 WT5 H ATOM 52044 H2 TIP3 42 77.535 52.403 36.173 1.00 0.00 WT5 H ATOM 52045 OH2 TIP3 44 68.150 18.586 9.624 1.00 0.00 WT5 O ATOM 52046 H1 TIP3 44 68.738 18.695 10.372 1.00 0.00 WT5 H ATOM 52047 H2 TIP3 44 67.334 18.262 10.006 1.00 0.00 WT5 H ATOM 52048 OH2 TIP3 48 87.926 57.288 -18.995 1.00 0.00 WT5 O ATOM 52049 H1 TIP3 48 87.873 57.309 -18.039 1.00 0.00 WT5 H ATOM 52050 H2 TIP3 48 87.014 57.281 -19.285 1.00 0.00 WT5 H ATOM 52051 OH2 TIP3 52 24.268 9.423 -15.257 1.00 0.00 WT5 O ATOM 52052 H1 TIP3 52 25.040 9.653 -14.739 1.00 0.00 WT5 H ATOM 52053 H2 TIP3 52 24.160 8.482 -15.120 1.00 0.00 WT5 H ATOM 52054 OH2 TIP3 53 25.607 86.896 46.264 1.00 0.00 WT5 O ATOM 52055 H1 TIP3 53 25.941 86.322 45.574 1.00 0.00 WT5 H ATOM 52056 H2 TIP3 53 25.105 87.564 45.799 1.00 0.00 WT5 H ATOM 52057 OH2 TIP3 55 37.525 52.643 12.363 1.00 0.00 WT5 O ATOM 52058 H1 TIP3 55 36.684 52.402 12.752 1.00 0.00 WT5 H ATOM 52059 H2 TIP3 55 37.568 53.595 12.457 1.00 0.00 WT5 H ATOM 52060 OH2 TIP3 61 61.044 85.617 46.462 1.00 0.00 WT5 O ATOM 52061 H1 TIP3 61 60.266 86.086 46.762 1.00 0.00 WT5 H ATOM 52062 H2 TIP3 61 60.702 84.819 46.059 1.00 0.00 WT5 H ATOM 52063 OH2 TIP3 65 61.487 9.352 -14.331 1.00 0.00 WT5 O ATOM 52064 H1 TIP3 65 62.019 10.113 -14.100 1.00 0.00 WT5 H ATOM 52065 H2 TIP3 65 61.729 9.156 -15.236 1.00 0.00 WT5 H ATOM 52066 OH2 TIP3 67 71.441 91.047 60.427 1.00 0.00 WT5 O ATOM 52067 H1 TIP3 67 70.498 91.208 60.387 1.00 0.00 WT5 H ATOM 52068 H2 TIP3 67 71.526 90.244 60.941 1.00 0.00 WT5 H ATOM 52069 OH2 TIP3 77 31.811 79.954 61.816 1.00 0.00 WT5 O ATOM 52070 H1 TIP3 77 31.586 80.833 62.120 1.00 0.00 WT5 H ATOM 52071 H2 TIP3 77 31.302 79.840 61.013 1.00 0.00 WT5 H ATOM 52072 OH2 TIP3 78 59.102 32.388 6.520 1.00 0.00 WT5 O ATOM 52073 H1 TIP3 78 58.596 32.364 7.333 1.00 0.00 WT5 H ATOM 52074 H2 TIP3 78 58.654 33.037 5.978 1.00 0.00 WT5 H ATOM 52075 OH2 TIP3 87 39.904 1.726 66.624 1.00 0.00 WT5 O ATOM 52076 H1 TIP3 87 40.741 1.274 66.727 1.00 0.00 WT5 H ATOM 52077 H2 TIP3 87 39.247 1.076 66.874 1.00 0.00 WT5 H ATOM 52078 OH2 TIP3 89 69.690 93.081 9.234 1.00 0.00 WT5 O ATOM 52079 H1 TIP3 89 70.224 93.860 9.388 1.00 0.00 WT5 H ATOM 52080 H2 TIP3 89 69.423 93.151 8.318 1.00 0.00 WT5 H ATOM 52081 OH2 TIP3 94 68.209 0.554 44.161 1.00 0.00 WT5 O ATOM 52082 H1 TIP3 94 68.351 1.179 44.871 1.00 0.00 WT5 H ATOM 52083 H2 TIP3 94 67.401 0.847 43.741 1.00 0.00 WT5 H ATOM 52084 OH2 TIP3 95 49.277 80.019 23.473 1.00 0.00 WT5 O ATOM 52085 H1 TIP3 95 48.390 80.370 23.555 1.00 0.00 WT5 H ATOM 52086 H2 TIP3 95 49.153 79.076 23.364 1.00 0.00 WT5 H ATOM 52087 OH2 TIP3 103 64.548 49.462 62.816 1.00 0.00 WT5 O ATOM 52088 H1 TIP3 103 65.037 49.807 62.069 1.00 0.00 WT5 H ATOM 52089 H2 TIP3 103 63.648 49.385 62.498 1.00 0.00 WT5 H ATOM 52090 OH2 TIP3 113 78.717 21.326 62.407 1.00 0.00 WT5 O ATOM 52091 H1 TIP3 113 77.955 21.673 61.943 1.00 0.00 WT5 H ATOM 52092 H2 TIP3 113 79.423 21.351 61.762 1.00 0.00 WT5 H ATOM 52093 OH2 TIP3 115 84.077 69.916 -2.657 1.00 0.00 WT5 O ATOM 52094 H1 TIP3 115 83.296 69.861 -3.208 1.00 0.00 WT5 H ATOM 52095 H2 TIP3 115 83.877 69.363 -1.901 1.00 0.00 WT5 H ATOM 52096 OH2 TIP3 122 42.712 32.315 56.928 1.00 0.00 WT5 O ATOM 52097 H1 TIP3 122 41.792 32.406 57.174 1.00 0.00 WT5 H ATOM 52098 H2 TIP3 122 43.142 33.075 57.319 1.00 0.00 WT5 H ATOM 52099 OH2 TIP3 128 21.934 43.010 -11.401 1.00 0.00 WT5 O ATOM 52100 H1 TIP3 128 21.372 43.622 -10.926 1.00 0.00 WT5 H ATOM 52101 H2 TIP3 128 22.023 42.260 -10.813 1.00 0.00 WT5 H ATOM 52102 OH2 TIP3 135 28.557 90.617 55.180 1.00 0.00 WT5 O ATOM 52103 H1 TIP3 135 29.458 90.433 55.447 1.00 0.00 WT5 H ATOM 52104 H2 TIP3 135 28.035 89.950 55.625 1.00 0.00 WT5 H ATOM 52105 OH2 TIP3 137 45.692 41.696 -4.791 1.00 0.00 WT5 O ATOM 52106 H1 TIP3 137 46.259 41.665 -4.021 1.00 0.00 WT5 H ATOM 52107 H2 TIP3 137 46.216 42.142 -5.457 1.00 0.00 WT5 H ATOM 52108 OH2 TIP3 149 66.738 6.835 15.840 1.00 0.00 WT5 O ATOM 52109 H1 TIP3 149 66.426 7.628 15.404 1.00 0.00 WT5 H ATOM 52110 H2 TIP3 149 67.308 6.416 15.195 1.00 0.00 WT5 H ATOM 52111 OH2 TIP3 150 54.924 4.414 0.566 1.00 0.00 WT5 O ATOM 52112 H1 TIP3 150 54.142 4.756 1.000 1.00 0.00 WT5 H ATOM 52113 H2 TIP3 150 55.168 5.097 -0.060 1.00 0.00 WT5 H ATOM 52114 OH2 TIP3 153 67.125 28.527 11.447 1.00 0.00 WT5 O ATOM 52115 H1 TIP3 153 66.408 29.148 11.322 1.00 0.00 WT5 H ATOM 52116 H2 TIP3 153 67.901 29.076 11.561 1.00 0.00 WT5 H ATOM 52117 OH2 TIP3 155 68.314 64.360 25.572 1.00 0.00 WT5 O ATOM 52118 H1 TIP3 155 67.530 64.279 25.029 1.00 0.00 WT5 H ATOM 52119 H2 TIP3 155 68.034 64.075 26.442 1.00 0.00 WT5 H ATOM 52120 OH2 TIP3 165 76.913 44.356 -11.068 1.00 0.00 WT5 O ATOM 52121 H1 TIP3 165 76.193 44.913 -10.772 1.00 0.00 WT5 H ATOM 52122 H2 TIP3 165 77.425 44.185 -10.277 1.00 0.00 WT5 H ATOM 52123 OH2 TIP3 167 21.534 77.823 57.935 1.00 0.00 WT5 O ATOM 52124 H1 TIP3 167 21.351 77.259 57.184 1.00 0.00 WT5 H ATOM 52125 H2 TIP3 167 21.269 78.697 57.649 1.00 0.00 WT5 H ATOM 52126 OH2 TIP3 174 66.669 44.581 -5.620 1.00 0.00 WT5 O ATOM 52127 H1 TIP3 174 66.083 43.826 -5.675 1.00 0.00 WT5 H ATOM 52128 H2 TIP3 174 66.324 45.099 -4.893 1.00 0.00 WT5 H ATOM 52129 OH2 TIP3 175 58.431 24.187 32.543 1.00 0.00 WT5 O ATOM 52130 H1 TIP3 175 58.511 23.294 32.207 1.00 0.00 WT5 H ATOM 52131 H2 TIP3 175 57.493 24.373 32.509 1.00 0.00 WT5 H ATOM 52132 OH2 TIP3 177 75.519 22.649 34.720 1.00 0.00 WT5 O ATOM 52133 H1 TIP3 177 75.610 21.830 35.206 1.00 0.00 WT5 H ATOM 52134 H2 TIP3 177 76.033 22.515 33.924 1.00 0.00 WT5 H ATOM 52135 OH2 TIP3 178 85.891 79.378 11.945 1.00 0.00 WT5 O ATOM 52136 H1 TIP3 178 86.523 79.429 12.663 1.00 0.00 WT5 H ATOM 52137 H2 TIP3 178 85.160 79.926 12.230 1.00 0.00 WT5 H ATOM 52138 OH2 TIP3 191 21.699 48.566 -15.226 1.00 0.00 WT5 O ATOM 52139 H1 TIP3 191 22.577 48.490 -14.852 1.00 0.00 WT5 H ATOM 52140 H2 TIP3 191 21.320 47.692 -15.128 1.00 0.00 WT5 H ATOM 52141 OH2 TIP3 194 37.537 89.251 24.581 1.00 0.00 WT5 O ATOM 52142 H1 TIP3 194 36.612 89.280 24.827 1.00 0.00 WT5 H ATOM 52143 H2 TIP3 194 37.531 89.015 23.653 1.00 0.00 WT5 H ATOM 52144 OH2 TIP3 195 44.461 20.884 53.979 1.00 0.00 WT5 O ATOM 52145 H1 TIP3 195 44.312 21.775 53.664 1.00 0.00 WT5 H ATOM 52146 H2 TIP3 195 45.389 20.865 54.214 1.00 0.00 WT5 H ATOM 52147 OH2 TIP3 196 34.688 49.110 -1.728 1.00 0.00 WT5 O ATOM 52148 H1 TIP3 196 35.527 48.927 -2.151 1.00 0.00 WT5 H ATOM 52149 H2 TIP3 196 34.690 50.057 -1.592 1.00 0.00 WT5 H ATOM 52150 OH2 TIP3 201 26.257 57.204 14.885 1.00 0.00 WT5 O ATOM 52151 H1 TIP3 201 26.587 57.355 15.770 1.00 0.00 WT5 H ATOM 52152 H2 TIP3 201 27.044 57.128 14.345 1.00 0.00 WT5 H ATOM 52153 OH2 TIP3 205 29.746 36.358 11.954 1.00 0.00 WT5 O ATOM 52154 H1 TIP3 205 30.173 36.048 12.753 1.00 0.00 WT5 H ATOM 52155 H2 TIP3 205 29.965 37.289 11.910 1.00 0.00 WT5 H ATOM 52156 OH2 TIP3 213 71.662 48.138 55.835 1.00 0.00 WT5 O ATOM 52157 H1 TIP3 213 72.200 48.090 55.045 1.00 0.00 WT5 H ATOM 52158 H2 TIP3 213 70.900 47.593 55.639 1.00 0.00 WT5 H ATOM 52159 OH2 TIP3 225 58.887 1.454 32.651 1.00 0.00 WT5 O ATOM 52160 H1 TIP3 225 59.334 0.874 33.267 1.00 0.00 WT5 H ATOM 52161 H2 TIP3 225 59.519 1.586 31.944 1.00 0.00 WT5 H ATOM 52162 OH2 TIP3 227 78.026 90.168 52.763 1.00 0.00 WT5 O ATOM 52163 H1 TIP3 227 77.437 90.456 53.461 1.00 0.00 WT5 H ATOM 52164 H2 TIP3 227 77.722 89.287 52.542 1.00 0.00 WT5 H ATOM 52165 OH2 TIP3 234 49.072 41.978 35.961 1.00 0.00 WT5 O ATOM 52166 H1 TIP3 234 48.414 41.931 35.268 1.00 0.00 WT5 H ATOM 52167 H2 TIP3 234 48.864 42.784 36.434 1.00 0.00 WT5 H ATOM 52168 OH2 TIP3 237 57.519 94.115 35.765 1.00 0.00 WT5 O ATOM 52169 H1 TIP3 237 58.043 94.865 36.045 1.00 0.00 WT5 H ATOM 52170 H2 TIP3 237 57.834 93.388 36.304 1.00 0.00 WT5 H ATOM 52171 OH2 TIP3 248 50.606 34.523 -11.336 1.00 0.00 WT5 O ATOM 52172 H1 TIP3 248 51.158 35.140 -11.816 1.00 0.00 WT5 H ATOM 52173 H2 TIP3 248 50.942 34.547 -10.440 1.00 0.00 WT5 H ATOM 52174 OH2 TIP3 250 63.463 69.930 2.786 1.00 0.00 WT5 O ATOM 52175 H1 TIP3 250 64.238 69.372 2.852 1.00 0.00 WT5 H ATOM 52176 H2 TIP3 250 63.517 70.507 3.548 1.00 0.00 WT5 H ATOM 52177 OH2 TIP3 261 88.304 90.647 61.069 1.00 0.00 WT5 O ATOM 52178 H1 TIP3 261 87.948 91.036 60.271 1.00 0.00 WT5 H ATOM 52179 H2 TIP3 261 88.665 89.807 60.786 1.00 0.00 WT5 H ATOM 52180 OH2 TIP3 267 33.207 62.287 13.680 1.00 0.00 WT5 O ATOM 52181 H1 TIP3 267 33.969 61.758 13.916 1.00 0.00 WT5 H ATOM 52182 H2 TIP3 267 33.094 62.886 14.418 1.00 0.00 WT5 H ATOM 52183 OH2 TIP3 268 50.371 5.485 11.725 1.00 0.00 WT5 O ATOM 52184 H1 TIP3 268 49.454 5.437 11.454 1.00 0.00 WT5 H ATOM 52185 H2 TIP3 268 50.728 4.622 11.515 1.00 0.00 WT5 H ATOM 52186 OH2 TIP3 283 80.121 70.381 -8.473 1.00 0.00 WT5 O ATOM 52187 H1 TIP3 283 80.455 71.257 -8.666 1.00 0.00 WT5 H ATOM 52188 H2 TIP3 283 79.446 70.230 -9.136 1.00 0.00 WT5 H ATOM 52189 OH2 TIP3 292 53.135 56.691 56.398 1.00 0.00 WT5 O ATOM 52190 H1 TIP3 292 52.872 56.721 55.478 1.00 0.00 WT5 H ATOM 52191 H2 TIP3 292 53.783 57.390 56.485 1.00 0.00 WT5 H ATOM 52192 OH2 TIP3 303 85.250 45.731 64.305 1.00 0.00 WT5 O ATOM 52193 H1 TIP3 303 84.382 45.330 64.254 1.00 0.00 WT5 H ATOM 52194 H2 TIP3 303 85.089 46.667 64.189 1.00 0.00 WT5 H ATOM 52195 OH2 TIP3 306 74.581 80.207 19.689 1.00 0.00 WT5 O ATOM 52196 H1 TIP3 306 73.831 80.191 20.284 1.00 0.00 WT5 H ATOM 52197 H2 TIP3 306 75.335 80.022 20.249 1.00 0.00 WT5 H ATOM 52198 OH2 TIP3 307 42.628 82.374 12.501 1.00 0.00 WT5 O ATOM 52199 H1 TIP3 307 43.065 82.293 13.348 1.00 0.00 WT5 H ATOM 52200 H2 TIP3 307 41.694 82.358 12.711 1.00 0.00 WT5 H ATOM 52201 OH2 TIP3 309 64.056 41.008 61.918 1.00 0.00 WT5 O ATOM 52202 H1 TIP3 309 63.233 40.954 62.403 1.00 0.00 WT5 H ATOM 52203 H2 TIP3 309 64.476 40.160 62.061 1.00 0.00 WT5 H ATOM 52204 OH2 TIP3 313 38.159 20.134 6.664 1.00 0.00 WT5 O ATOM 52205 H1 TIP3 313 38.812 19.574 7.083 1.00 0.00 WT5 H ATOM 52206 H2 TIP3 313 38.324 21.005 7.025 1.00 0.00 WT5 H ATOM 52207 OH2 TIP3 314 47.577 41.905 20.096 1.00 0.00 WT5 O ATOM 52208 H1 TIP3 314 47.723 42.807 20.382 1.00 0.00 WT5 H ATOM 52209 H2 TIP3 314 48.447 41.584 19.860 1.00 0.00 WT5 H ATOM 52210 OH2 TIP3 323 64.512 51.691 3.134 1.00 0.00 WT5 O ATOM 52211 H1 TIP3 323 63.862 51.755 3.834 1.00 0.00 WT5 H ATOM 52212 H2 TIP3 323 65.347 51.872 3.566 1.00 0.00 WT5 H ATOM 52213 OH2 TIP3 325 73.773 -0.316 66.604 1.00 0.00 WT5 O ATOM 52214 H1 TIP3 325 73.872 0.251 67.368 1.00 0.00 WT5 H ATOM 52215 H2 TIP3 325 73.928 0.259 65.855 1.00 0.00 WT5 H ATOM 52216 OH2 TIP3 327 39.172 48.891 19.031 1.00 0.00 WT5 O ATOM 52217 H1 TIP3 327 40.029 49.230 19.290 1.00 0.00 WT5 H ATOM 52218 H2 TIP3 327 39.320 48.493 18.173 1.00 0.00 WT5 H ATOM 52219 OH2 TIP3 328 87.953 93.153 -2.302 1.00 0.00 WT5 O ATOM 52220 H1 TIP3 328 88.883 93.052 -2.508 1.00 0.00 WT5 H ATOM 52221 H2 TIP3 328 87.821 92.616 -1.521 1.00 0.00 WT5 H ATOM 52222 OH2 TIP3 329 23.458 67.014 -13.138 1.00 0.00 WT5 O ATOM 52223 H1 TIP3 329 24.089 67.132 -13.848 1.00 0.00 WT5 H ATOM 52224 H2 TIP3 329 23.175 67.902 -12.918 1.00 0.00 WT5 H ATOM 52225 OH2 TIP3 336 83.864 10.957 49.140 1.00 0.00 WT5 O ATOM 52226 H1 TIP3 336 83.694 10.401 48.380 1.00 0.00 WT5 H ATOM 52227 H2 TIP3 336 83.263 10.636 49.812 1.00 0.00 WT5 H ATOM 52228 OH2 TIP3 338 50.123 52.899 -6.287 1.00 0.00 WT5 O ATOM 52229 H1 TIP3 338 49.988 52.455 -5.450 1.00 0.00 WT5 H ATOM 52230 H2 TIP3 338 49.529 53.649 -6.259 1.00 0.00 WT5 H ATOM 52231 OH2 TIP3 344 84.445 48.836 35.611 1.00 0.00 WT5 O ATOM 52232 H1 TIP3 344 83.670 48.743 36.164 1.00 0.00 WT5 H ATOM 52233 H2 TIP3 344 84.788 47.947 35.526 1.00 0.00 WT5 H ATOM 52234 OH2 TIP3 347 37.631 51.737 3.332 1.00 0.00 WT5 O ATOM 52235 H1 TIP3 347 37.953 52.555 3.713 1.00 0.00 WT5 H ATOM 52236 H2 TIP3 347 38.194 51.060 3.707 1.00 0.00 WT5 H ATOM 52237 OH2 TIP3 352 45.392 47.989 33.716 1.00 0.00 WT5 O ATOM 52238 H1 TIP3 352 46.009 47.898 34.442 1.00 0.00 WT5 H ATOM 52239 H2 TIP3 352 45.450 47.156 33.247 1.00 0.00 WT5 H ATOM 52240 OH2 TIP3 359 86.521 6.355 66.743 1.00 0.00 WT5 O ATOM 52241 H1 TIP3 359 86.331 7.160 66.261 1.00 0.00 WT5 H ATOM 52242 H2 TIP3 359 86.528 6.622 67.662 1.00 0.00 WT5 H ATOM 52243 OH2 TIP3 372 88.287 38.015 53.013 1.00 0.00 WT5 O ATOM 52244 H1 TIP3 372 87.621 37.359 53.220 1.00 0.00 WT5 H ATOM 52245 H2 TIP3 372 88.168 38.695 53.676 1.00 0.00 WT5 H ATOM 52246 OH2 TIP3 379 26.505 3.965 50.797 1.00 0.00 WT5 O ATOM 52247 H1 TIP3 379 26.512 3.150 51.299 1.00 0.00 WT5 H ATOM 52248 H2 TIP3 379 25.854 3.818 50.111 1.00 0.00 WT5 H ATOM 52249 OH2 TIP3 384 67.808 57.149 -6.831 1.00 0.00 WT5 O ATOM 52250 H1 TIP3 384 68.580 57.439 -7.317 1.00 0.00 WT5 H ATOM 52251 H2 TIP3 384 68.036 57.294 -5.912 1.00 0.00 WT5 H ATOM 52252 OH2 TIP3 389 65.941 36.806 6.674 1.00 0.00 WT5 O ATOM 52253 H1 TIP3 389 65.048 36.703 7.004 1.00 0.00 WT5 H ATOM 52254 H2 TIP3 389 65.853 37.393 5.923 1.00 0.00 WT5 H ATOM 52255 OH2 TIP3 391 26.663 61.842 -5.043 1.00 0.00 WT5 O ATOM 52256 H1 TIP3 391 27.410 61.328 -4.736 1.00 0.00 WT5 H ATOM 52257 H2 TIP3 391 25.948 61.209 -5.115 1.00 0.00 WT5 H ATOM 52258 OH2 TIP3 399 83.379 57.679 22.535 1.00 0.00 WT5 O ATOM 52259 H1 TIP3 399 83.324 58.468 21.995 1.00 0.00 WT5 H ATOM 52260 H2 TIP3 399 82.770 57.838 23.255 1.00 0.00 WT5 H ATOM 52261 OH2 TIP3 400 72.653 32.309 59.784 1.00 0.00 WT5 O ATOM 52262 H1 TIP3 400 72.207 31.872 59.059 1.00 0.00 WT5 H ATOM 52263 H2 TIP3 400 72.181 32.020 60.565 1.00 0.00 WT5 H ATOM 52264 OH2 TIP3 401 75.120 2.126 30.353 1.00 0.00 WT5 O ATOM 52265 H1 TIP3 401 74.491 2.754 30.708 1.00 0.00 WT5 H ATOM 52266 H2 TIP3 401 74.650 1.292 30.346 1.00 0.00 WT5 H ATOM 52267 OH2 TIP3 409 27.627 47.052 1.664 1.00 0.00 WT5 O ATOM 52268 H1 TIP3 409 26.965 47.689 1.394 1.00 0.00 WT5 H ATOM 52269 H2 TIP3 409 27.954 47.386 2.500 1.00 0.00 WT5 H ATOM 52270 OH2 TIP3 417 55.738 74.480 53.300 1.00 0.00 WT5 O ATOM 52271 H1 TIP3 417 56.305 73.709 53.268 1.00 0.00 WT5 H ATOM 52272 H2 TIP3 417 54.916 74.157 53.670 1.00 0.00 WT5 H ATOM 52273 OH2 TIP3 418 33.090 17.653 38.631 1.00 0.00 WT5 O ATOM 52274 H1 TIP3 418 33.148 18.580 38.860 1.00 0.00 WT5 H ATOM 52275 H2 TIP3 418 33.481 17.596 37.759 1.00 0.00 WT5 H ATOM 52276 OH2 TIP3 422 41.622 20.494 32.482 1.00 0.00 WT5 O ATOM 52277 H1 TIP3 422 42.475 20.631 32.069 1.00 0.00 WT5 H ATOM 52278 H2 TIP3 422 41.025 21.059 31.991 1.00 0.00 WT5 H ATOM 52279 OH2 TIP3 425 55.094 32.408 39.283 1.00 0.00 WT5 O ATOM 52280 H1 TIP3 425 55.062 33.344 39.084 1.00 0.00 WT5 H ATOM 52281 H2 TIP3 425 55.602 32.028 38.566 1.00 0.00 WT5 H ATOM 52282 OH2 TIP3 431 41.441 21.287 35.469 1.00 0.00 WT5 O ATOM 52283 H1 TIP3 431 41.394 22.094 34.956 1.00 0.00 WT5 H ATOM 52284 H2 TIP3 431 42.233 20.850 35.157 1.00 0.00 WT5 H ATOM 52285 OH2 TIP3 433 61.003 27.633 -6.991 1.00 0.00 WT5 O ATOM 52286 H1 TIP3 433 61.070 26.979 -6.295 1.00 0.00 WT5 H ATOM 52287 H2 TIP3 433 60.479 28.337 -6.609 1.00 0.00 WT5 H ATOM 52288 OH2 TIP3 460 28.107 89.513 49.946 1.00 0.00 WT5 O ATOM 52289 H1 TIP3 460 28.988 89.889 49.928 1.00 0.00 WT5 H ATOM 52290 H2 TIP3 460 27.532 90.237 49.697 1.00 0.00 WT5 H ATOM 52291 OH2 TIP3 462 55.372 78.811 3.744 1.00 0.00 WT5 O ATOM 52292 H1 TIP3 462 56.198 78.795 4.227 1.00 0.00 WT5 H ATOM 52293 H2 TIP3 462 54.762 78.317 4.293 1.00 0.00 WT5 H ATOM 52294 OH2 TIP3 463 28.253 46.087 34.625 1.00 0.00 WT5 O ATOM 52295 H1 TIP3 463 27.814 45.379 34.155 1.00 0.00 WT5 H ATOM 52296 H2 TIP3 463 27.541 46.640 34.947 1.00 0.00 WT5 H ATOM 52297 OH2 TIP3 470 72.088 45.172 59.653 1.00 0.00 WT5 O ATOM 52298 H1 TIP3 470 72.148 45.479 58.749 1.00 0.00 WT5 H ATOM 52299 H2 TIP3 470 72.590 45.811 60.158 1.00 0.00 WT5 H ATOM 52300 OH2 TIP3 472 90.137 81.148 -18.189 1.00 0.00 WT5 O ATOM 52301 H1 TIP3 472 90.285 82.081 -18.343 1.00 0.00 WT5 H ATOM 52302 H2 TIP3 472 90.226 81.044 -17.241 1.00 0.00 WT5 H ATOM 52303 OH2 TIP3 480 26.488 64.864 30.770 1.00 0.00 WT5 O ATOM 52304 H1 TIP3 480 25.703 65.175 30.319 1.00 0.00 WT5 H ATOM 52305 H2 TIP3 480 27.211 65.309 30.328 1.00 0.00 WT5 H ATOM 52306 OH2 TIP3 481 37.776 42.097 -12.827 1.00 0.00 WT5 O ATOM 52307 H1 TIP3 481 37.126 42.409 -12.198 1.00 0.00 WT5 H ATOM 52308 H2 TIP3 481 38.593 42.515 -12.555 1.00 0.00 WT5 H ATOM 52309 OH2 TIP3 485 34.844 33.468 63.396 1.00 0.00 WT5 O ATOM 52310 H1 TIP3 485 35.740 33.267 63.127 1.00 0.00 WT5 H ATOM 52311 H2 TIP3 485 34.373 32.641 63.299 1.00 0.00 WT5 H ATOM 52312 OH2 TIP3 486 66.862 16.542 4.760 1.00 0.00 WT5 O ATOM 52313 H1 TIP3 486 67.036 16.371 5.686 1.00 0.00 WT5 H ATOM 52314 H2 TIP3 486 67.669 16.939 4.433 1.00 0.00 WT5 H ATOM 52315 OH2 TIP3 489 55.714 94.621 -15.474 1.00 0.00 WT5 O ATOM 52316 H1 TIP3 489 54.795 94.757 -15.244 1.00 0.00 WT5 H ATOM 52317 H2 TIP3 489 55.894 93.716 -15.219 1.00 0.00 WT5 H ATOM 52318 OH2 TIP3 490 81.976 95.317 50.672 1.00 0.00 WT5 O ATOM 52319 H1 TIP3 490 81.049 95.530 50.565 1.00 0.00 WT5 H ATOM 52320 H2 TIP3 490 82.038 94.390 50.439 1.00 0.00 WT5 H ATOM 52321 OH2 TIP3 491 41.549 41.351 -3.402 1.00 0.00 WT5 O ATOM 52322 H1 TIP3 491 41.490 41.585 -2.476 1.00 0.00 WT5 H ATOM 52323 H2 TIP3 491 40.642 41.198 -3.668 1.00 0.00 WT5 H ATOM 52324 OH2 TIP3 494 74.588 2.358 -9.643 1.00 0.00 WT5 O ATOM 52325 H1 TIP3 494 74.858 1.553 -9.201 1.00 0.00 WT5 H ATOM 52326 H2 TIP3 494 74.807 2.211 -10.563 1.00 0.00 WT5 H ATOM 52327 OH2 TIP3 496 82.025 58.480 27.343 1.00 0.00 WT5 O ATOM 52328 H1 TIP3 496 82.176 59.150 26.675 1.00 0.00 WT5 H ATOM 52329 H2 TIP3 496 81.160 58.687 27.698 1.00 0.00 WT5 H ATOM 52330 OH2 TIP3 501 79.341 23.090 11.944 1.00 0.00 WT5 O ATOM 52331 H1 TIP3 501 78.479 22.955 12.337 1.00 0.00 WT5 H ATOM 52332 H2 TIP3 501 79.791 23.679 12.550 1.00 0.00 WT5 H ATOM 52333 OH2 TIP3 502 74.283 48.208 15.572 1.00 0.00 WT5 O ATOM 52334 H1 TIP3 502 74.679 49.080 15.556 1.00 0.00 WT5 H ATOM 52335 H2 TIP3 502 73.354 48.371 15.734 1.00 0.00 WT5 H ATOM 52336 OH2 TIP3 503 51.901 77.620 -15.772 1.00 0.00 WT5 O ATOM 52337 H1 TIP3 503 52.221 76.788 -15.424 1.00 0.00 WT5 H ATOM 52338 H2 TIP3 503 51.289 77.938 -15.108 1.00 0.00 WT5 H ATOM 52339 OH2 TIP3 506 77.342 90.773 -14.719 1.00 0.00 WT5 O ATOM 52340 H1 TIP3 506 77.968 90.340 -15.299 1.00 0.00 WT5 H ATOM 52341 H2 TIP3 506 76.551 90.237 -14.777 1.00 0.00 WT5 H ATOM 52342 OH2 TIP3 509 75.415 3.340 58.696 1.00 0.00 WT5 O ATOM 52343 H1 TIP3 509 76.095 3.743 58.156 1.00 0.00 WT5 H ATOM 52344 H2 TIP3 509 75.812 2.531 59.018 1.00 0.00 WT5 H ATOM 52345 OH2 TIP3 511 26.183 73.228 -16.863 1.00 0.00 WT5 O ATOM 52346 H1 TIP3 511 26.278 73.178 -15.912 1.00 0.00 WT5 H ATOM 52347 H2 TIP3 511 26.692 72.488 -17.194 1.00 0.00 WT5 H ATOM 52348 OH2 TIP3 515 34.040 86.786 62.458 1.00 0.00 WT5 O ATOM 52349 H1 TIP3 515 33.165 86.459 62.251 1.00 0.00 WT5 H ATOM 52350 H2 TIP3 515 33.958 87.738 62.407 1.00 0.00 WT5 H ATOM 52351 OH2 TIP3 516 38.166 78.875 9.695 1.00 0.00 WT5 O ATOM 52352 H1 TIP3 516 39.046 79.116 9.984 1.00 0.00 WT5 H ATOM 52353 H2 TIP3 516 38.271 78.644 8.772 1.00 0.00 WT5 H ATOM 52354 OH2 TIP3 520 58.807 34.079 34.763 1.00 0.00 WT5 O ATOM 52355 H1 TIP3 520 58.805 33.591 33.940 1.00 0.00 WT5 H ATOM 52356 H2 TIP3 520 57.882 34.215 34.965 1.00 0.00 WT5 H ATOM 52357 OH2 TIP3 521 88.029 76.620 22.590 1.00 0.00 WT5 O ATOM 52358 H1 TIP3 521 87.666 76.403 21.731 1.00 0.00 WT5 H ATOM 52359 H2 TIP3 521 87.302 77.025 23.063 1.00 0.00 WT5 H ATOM 52360 OH2 TIP3 526 23.105 77.925 43.365 1.00 0.00 WT5 O ATOM 52361 H1 TIP3 526 23.538 78.376 44.090 1.00 0.00 WT5 H ATOM 52362 H2 TIP3 526 23.089 78.570 42.657 1.00 0.00 WT5 H ATOM 52363 OH2 TIP3 540 76.364 94.659 -20.088 1.00 0.00 WT5 O ATOM 52364 H1 TIP3 540 75.613 95.224 -19.904 1.00 0.00 WT5 H ATOM 52365 H2 TIP3 540 77.081 95.039 -19.581 1.00 0.00 WT5 H ATOM 52366 OH2 TIP3 541 25.105 17.128 -5.560 1.00 0.00 WT5 O ATOM 52367 H1 TIP3 541 25.799 16.583 -5.191 1.00 0.00 WT5 H ATOM 52368 H2 TIP3 541 24.434 16.506 -5.840 1.00 0.00 WT5 H ATOM 52369 OH2 TIP3 545 88.293 82.310 7.314 1.00 0.00 WT5 O ATOM 52370 H1 TIP3 545 87.623 81.706 6.994 1.00 0.00 WT5 H ATOM 52371 H2 TIP3 545 89.080 81.771 7.400 1.00 0.00 WT5 H ATOM 52372 OH2 TIP3 548 26.467 6.646 12.843 1.00 0.00 WT5 O ATOM 52373 H1 TIP3 548 26.714 7.570 12.863 1.00 0.00 WT5 H ATOM 52374 H2 TIP3 548 26.828 6.283 13.652 1.00 0.00 WT5 H ATOM 52375 OH2 TIP3 550 70.468 75.967 4.781 1.00 0.00 WT5 O ATOM 52376 H1 TIP3 550 70.777 75.062 4.769 1.00 0.00 WT5 H ATOM 52377 H2 TIP3 550 69.913 76.022 5.559 1.00 0.00 WT5 H ATOM 52378 OH2 TIP3 551 54.391 20.819 41.346 1.00 0.00 WT5 O ATOM 52379 H1 TIP3 551 54.421 21.699 41.723 1.00 0.00 WT5 H ATOM 52380 H2 TIP3 551 53.458 20.638 41.233 1.00 0.00 WT5 H ATOM 52381 OH2 TIP3 555 76.724 35.592 -0.904 1.00 0.00 WT5 O ATOM 52382 H1 TIP3 555 76.926 36.078 -1.703 1.00 0.00 WT5 H ATOM 52383 H2 TIP3 555 76.552 34.699 -1.203 1.00 0.00 WT5 H ATOM 52384 OH2 TIP3 556 84.676 82.858 43.803 1.00 0.00 WT5 O ATOM 52385 H1 TIP3 556 85.370 82.483 44.345 1.00 0.00 WT5 H ATOM 52386 H2 TIP3 556 84.995 82.765 42.906 1.00 0.00 WT5 H ATOM 52387 OH2 TIP3 562 22.694 88.574 -1.300 1.00 0.00 WT5 O ATOM 52388 H1 TIP3 562 23.486 88.707 -1.822 1.00 0.00 WT5 H ATOM 52389 H2 TIP3 562 22.492 89.440 -0.947 1.00 0.00 WT5 H ATOM 52390 OH2 TIP3 564 36.366 28.890 20.299 1.00 0.00 WT5 O ATOM 52391 H1 TIP3 564 36.433 29.397 21.108 1.00 0.00 WT5 H ATOM 52392 H2 TIP3 564 35.592 29.242 19.858 1.00 0.00 WT5 H ATOM 52393 OH2 TIP3 566 82.854 83.097 8.088 1.00 0.00 WT5 O ATOM 52394 H1 TIP3 566 83.004 82.560 8.866 1.00 0.00 WT5 H ATOM 52395 H2 TIP3 566 82.136 82.661 7.630 1.00 0.00 WT5 H ATOM 52396 OH2 TIP3 570 88.271 79.999 29.730 1.00 0.00 WT5 O ATOM 52397 H1 TIP3 570 88.914 79.599 29.143 1.00 0.00 WT5 H ATOM 52398 H2 TIP3 570 88.028 80.817 29.297 1.00 0.00 WT5 H ATOM 52399 OH2 TIP3 573 71.833 81.563 49.139 1.00 0.00 WT5 O ATOM 52400 H1 TIP3 573 72.539 82.121 49.467 1.00 0.00 WT5 H ATOM 52401 H2 TIP3 573 72.256 80.993 48.498 1.00 0.00 WT5 H ATOM 52402 OH2 TIP3 575 27.321 -0.085 64.350 1.00 0.00 WT5 O ATOM 52403 H1 TIP3 575 28.156 0.378 64.420 1.00 0.00 WT5 H ATOM 52404 H2 TIP3 575 26.783 0.286 65.050 1.00 0.00 WT5 H ATOM 52405 OH2 TIP3 576 66.787 46.274 -15.280 1.00 0.00 WT5 O ATOM 52406 H1 TIP3 576 66.221 45.820 -14.655 1.00 0.00 WT5 H ATOM 52407 H2 TIP3 576 66.501 47.187 -15.242 1.00 0.00 WT5 H ATOM 52408 OH2 TIP3 578 84.325 64.979 56.490 1.00 0.00 WT5 O ATOM 52409 H1 TIP3 578 83.598 64.844 55.882 1.00 0.00 WT5 H ATOM 52410 H2 TIP3 578 85.029 64.427 56.147 1.00 0.00 WT5 H ATOM 52411 OH2 TIP3 584 52.218 10.269 44.060 1.00 0.00 WT5 O ATOM 52412 H1 TIP3 584 52.132 9.956 43.159 1.00 0.00 WT5 H ATOM 52413 H2 TIP3 584 52.063 9.494 44.599 1.00 0.00 WT5 H ATOM 52414 OH2 TIP3 586 60.595 37.091 -10.199 1.00 0.00 WT5 O ATOM 52415 H1 TIP3 586 60.044 37.713 -9.724 1.00 0.00 WT5 H ATOM 52416 H2 TIP3 586 61.449 37.150 -9.770 1.00 0.00 WT5 H ATOM 52417 OH2 TIP3 591 42.338 6.229 58.781 1.00 0.00 WT5 O ATOM 52418 H1 TIP3 591 41.713 6.781 59.251 1.00 0.00 WT5 H ATOM 52419 H2 TIP3 591 41.823 5.826 58.082 1.00 0.00 WT5 H ATOM 52420 OH2 TIP3 593 46.602 29.160 53.704 1.00 0.00 WT5 O ATOM 52421 H1 TIP3 593 47.335 29.268 53.098 1.00 0.00 WT5 H ATOM 52422 H2 TIP3 593 46.376 30.051 53.970 1.00 0.00 WT5 H ATOM 52423 OH2 TIP3 594 24.168 91.727 38.893 1.00 0.00 WT5 O ATOM 52424 H1 TIP3 594 24.708 91.287 38.236 1.00 0.00 WT5 H ATOM 52425 H2 TIP3 594 24.321 91.234 39.699 1.00 0.00 WT5 H ATOM 52426 OH2 TIP3 599 33.380 27.831 30.520 1.00 0.00 WT5 O ATOM 52427 H1 TIP3 599 34.076 27.811 31.177 1.00 0.00 WT5 H ATOM 52428 H2 TIP3 599 33.185 28.761 30.406 1.00 0.00 WT5 H ATOM 52429 OH2 TIP3 600 22.030 40.969 6.591 1.00 0.00 WT5 O ATOM 52430 H1 TIP3 600 22.826 41.499 6.544 1.00 0.00 WT5 H ATOM 52431 H2 TIP3 600 21.316 41.601 6.509 1.00 0.00 WT5 H ATOM 52432 OH2 TIP3 602 50.259 35.487 36.436 1.00 0.00 WT5 O ATOM 52433 H1 TIP3 602 49.426 35.731 36.032 1.00 0.00 WT5 H ATOM 52434 H2 TIP3 602 50.835 36.232 36.265 1.00 0.00 WT5 H ATOM 52435 OH2 TIP3 606 36.610 33.279 59.544 1.00 0.00 WT5 O ATOM 52436 H1 TIP3 606 35.884 32.978 58.997 1.00 0.00 WT5 H ATOM 52437 H2 TIP3 606 37.316 32.657 59.369 1.00 0.00 WT5 H ATOM 52438 OH2 TIP3 610 82.853 25.313 -6.286 1.00 0.00 WT5 O ATOM 52439 H1 TIP3 610 83.049 24.379 -6.355 1.00 0.00 WT5 H ATOM 52440 H2 TIP3 610 81.897 25.357 -6.277 1.00 0.00 WT5 H ATOM 52441 OH2 TIP3 616 38.443 87.421 1.458 1.00 0.00 WT5 O ATOM 52442 H1 TIP3 616 37.797 86.833 1.067 1.00 0.00 WT5 H ATOM 52443 H2 TIP3 616 38.890 86.885 2.114 1.00 0.00 WT5 H ATOM 52444 OH2 TIP3 626 88.436 70.863 11.303 1.00 0.00 WT5 O ATOM 52445 H1 TIP3 626 87.681 71.281 11.717 1.00 0.00 WT5 H ATOM 52446 H2 TIP3 626 89.189 71.184 11.799 1.00 0.00 WT5 H ATOM 52447 OH2 TIP3 629 21.868 63.013 49.046 1.00 0.00 WT5 O ATOM 52448 H1 TIP3 629 21.166 63.068 48.397 1.00 0.00 WT5 H ATOM 52449 H2 TIP3 629 21.413 62.952 49.886 1.00 0.00 WT5 H ATOM 52450 OH2 TIP3 638 40.171 1.661 20.645 1.00 0.00 WT5 O ATOM 52451 H1 TIP3 638 40.604 0.900 20.259 1.00 0.00 WT5 H ATOM 52452 H2 TIP3 638 39.336 1.723 20.183 1.00 0.00 WT5 H ATOM 52453 OH2 TIP3 639 35.001 41.612 31.783 1.00 0.00 WT5 O ATOM 52454 H1 TIP3 639 34.837 40.954 31.107 1.00 0.00 WT5 H ATOM 52455 H2 TIP3 639 35.405 42.343 31.314 1.00 0.00 WT5 H ATOM 52456 OH2 TIP3 642 56.079 81.447 8.910 1.00 0.00 WT5 O ATOM 52457 H1 TIP3 642 56.501 80.722 8.451 1.00 0.00 WT5 H ATOM 52458 H2 TIP3 642 56.313 81.318 9.829 1.00 0.00 WT5 H ATOM 52459 OH2 TIP3 649 75.653 28.876 36.517 1.00 0.00 WT5 O ATOM 52460 H1 TIP3 649 75.886 29.260 35.671 1.00 0.00 WT5 H ATOM 52461 H2 TIP3 649 74.712 28.712 36.455 1.00 0.00 WT5 H ATOM 52462 OH2 TIP3 650 81.184 74.658 2.942 1.00 0.00 WT5 O ATOM 52463 H1 TIP3 650 80.316 74.808 2.569 1.00 0.00 WT5 H ATOM 52464 H2 TIP3 650 81.021 74.497 3.871 1.00 0.00 WT5 H ATOM 52465 OH2 TIP3 662 57.399 80.921 0.517 1.00 0.00 WT5 O ATOM 52466 H1 TIP3 662 56.602 80.973 1.044 1.00 0.00 WT5 H ATOM 52467 H2 TIP3 662 58.111 80.935 1.156 1.00 0.00 WT5 H ATOM 52468 OH2 TIP3 666 60.712 23.937 21.420 1.00 0.00 WT5 O ATOM 52469 H1 TIP3 666 60.820 24.544 22.153 1.00 0.00 WT5 H ATOM 52470 H2 TIP3 666 59.997 24.310 20.903 1.00 0.00 WT5 H ATOM 52471 OH2 TIP3 668 59.786 38.870 24.201 1.00 0.00 WT5 O ATOM 52472 H1 TIP3 668 59.502 37.957 24.251 1.00 0.00 WT5 H ATOM 52473 H2 TIP3 668 59.073 39.319 23.746 1.00 0.00 WT5 H ATOM 52474 OH2 TIP3 671 44.925 50.032 40.594 1.00 0.00 WT5 O ATOM 52475 H1 TIP3 671 44.922 50.910 40.211 1.00 0.00 WT5 H ATOM 52476 H2 TIP3 671 45.172 49.456 39.870 1.00 0.00 WT5 H ATOM 52477 OH2 TIP3 673 74.878 59.676 31.620 1.00 0.00 WT5 O ATOM 52478 H1 TIP3 673 75.468 60.172 31.052 1.00 0.00 WT5 H ATOM 52479 H2 TIP3 673 74.982 58.767 31.339 1.00 0.00 WT5 H ATOM 52480 OH2 TIP3 677 66.891 54.940 1.232 1.00 0.00 WT5 O ATOM 52481 H1 TIP3 677 66.375 55.724 1.045 1.00 0.00 WT5 H ATOM 52482 H2 TIP3 677 67.225 55.079 2.118 1.00 0.00 WT5 H ATOM 52483 OH2 TIP3 678 76.727 56.064 30.397 1.00 0.00 WT5 O ATOM 52484 H1 TIP3 678 77.563 56.278 29.983 1.00 0.00 WT5 H ATOM 52485 H2 TIP3 678 76.130 56.751 30.101 1.00 0.00 WT5 H ATOM 52486 OH2 TIP3 684 40.005 88.477 12.993 1.00 0.00 WT5 O ATOM 52487 H1 TIP3 684 40.776 87.984 13.273 1.00 0.00 WT5 H ATOM 52488 H2 TIP3 684 39.669 88.874 13.797 1.00 0.00 WT5 H ATOM 52489 OH2 TIP3 688 78.162 57.708 -7.616 1.00 0.00 WT5 O ATOM 52490 H1 TIP3 688 77.943 57.695 -8.548 1.00 0.00 WT5 H ATOM 52491 H2 TIP3 688 78.694 58.495 -7.505 1.00 0.00 WT5 H ATOM 52492 OH2 TIP3 691 45.770 76.711 56.881 1.00 0.00 WT5 O ATOM 52493 H1 TIP3 691 46.135 76.813 56.002 1.00 0.00 WT5 H ATOM 52494 H2 TIP3 691 46.529 76.759 57.463 1.00 0.00 WT5 H ATOM 52495 OH2 TIP3 704 46.158 93.022 43.658 1.00 0.00 WT5 O ATOM 52496 H1 TIP3 704 45.293 92.758 43.971 1.00 0.00 WT5 H ATOM 52497 H2 TIP3 704 46.629 92.199 43.531 1.00 0.00 WT5 H ATOM 52498 OH2 TIP3 711 50.044 3.722 39.216 1.00 0.00 WT5 O ATOM 52499 H1 TIP3 711 49.504 3.242 39.844 1.00 0.00 WT5 H ATOM 52500 H2 TIP3 711 50.924 3.365 39.335 1.00 0.00 WT5 H ATOM 52501 OH2 TIP3 715 39.222 10.995 49.763 1.00 0.00 WT5 O ATOM 52502 H1 TIP3 715 38.299 10.792 49.915 1.00 0.00 WT5 H ATOM 52503 H2 TIP3 715 39.438 11.643 50.433 1.00 0.00 WT5 H ATOM 52504 OH2 TIP3 717 44.153 45.731 -13.457 1.00 0.00 WT5 O ATOM 52505 H1 TIP3 717 43.420 46.256 -13.778 1.00 0.00 WT5 H ATOM 52506 H2 TIP3 717 44.700 45.585 -14.228 1.00 0.00 WT5 H ATOM 52507 OH2 TIP3 721 22.350 33.383 4.080 1.00 0.00 WT5 O ATOM 52508 H1 TIP3 721 22.871 33.473 3.283 1.00 0.00 WT5 H ATOM 52509 H2 TIP3 721 22.854 33.845 4.750 1.00 0.00 WT5 H ATOM 52510 OH2 TIP3 722 85.559 6.663 53.982 1.00 0.00 WT5 O ATOM 52511 H1 TIP3 722 84.816 6.837 53.405 1.00 0.00 WT5 H ATOM 52512 H2 TIP3 722 86.242 6.329 53.401 1.00 0.00 WT5 H ATOM 52513 OH2 TIP3 733 86.210 90.430 1.949 1.00 0.00 WT5 O ATOM 52514 H1 TIP3 733 85.498 90.188 2.541 1.00 0.00 WT5 H ATOM 52515 H2 TIP3 733 86.864 89.740 2.065 1.00 0.00 WT5 H ATOM 52516 OH2 TIP3 738 63.708 27.130 -5.364 1.00 0.00 WT5 O ATOM 52517 H1 TIP3 738 63.345 27.864 -4.868 1.00 0.00 WT5 H ATOM 52518 H2 TIP3 738 64.238 26.649 -4.728 1.00 0.00 WT5 H ATOM 52519 OH2 TIP3 746 58.993 26.683 11.614 1.00 0.00 WT5 O ATOM 52520 H1 TIP3 746 59.138 26.170 12.409 1.00 0.00 WT5 H ATOM 52521 H2 TIP3 746 58.293 27.293 11.847 1.00 0.00 WT5 H ATOM 52522 OH2 TIP3 753 77.946 50.978 8.641 1.00 0.00 WT5 O ATOM 52523 H1 TIP3 753 78.039 51.569 9.388 1.00 0.00 WT5 H ATOM 52524 H2 TIP3 753 77.020 51.034 8.405 1.00 0.00 WT5 H ATOM 52525 OH2 TIP3 754 78.999 48.562 0.900 1.00 0.00 WT5 O ATOM 52526 H1 TIP3 754 78.131 48.947 1.022 1.00 0.00 WT5 H ATOM 52527 H2 TIP3 754 79.045 48.364 -0.035 1.00 0.00 WT5 H ATOM 52528 OH2 TIP3 761 41.105 64.519 -2.076 1.00 0.00 WT5 O ATOM 52529 H1 TIP3 761 41.915 64.846 -1.683 1.00 0.00 WT5 H ATOM 52530 H2 TIP3 761 41.177 63.567 -2.016 1.00 0.00 WT5 H ATOM 52531 OH2 TIP3 766 20.682 93.093 62.379 1.00 0.00 WT5 O ATOM 52532 H1 TIP3 766 21.063 93.969 62.333 1.00 0.00 WT5 H ATOM 52533 H2 TIP3 766 20.237 92.981 61.539 1.00 0.00 WT5 H ATOM 52534 OH2 TIP3 768 36.683 48.765 -5.581 1.00 0.00 WT5 O ATOM 52535 H1 TIP3 768 36.751 49.542 -6.134 1.00 0.00 WT5 H ATOM 52536 H2 TIP3 768 36.411 48.068 -6.178 1.00 0.00 WT5 H ATOM 52537 OH2 TIP3 771 26.826 76.208 33.737 1.00 0.00 WT5 O ATOM 52538 H1 TIP3 771 27.589 76.419 34.275 1.00 0.00 WT5 H ATOM 52539 H2 TIP3 771 27.151 76.238 32.838 1.00 0.00 WT5 H ATOM 52540 OH2 TIP3 773 38.472 60.794 46.612 1.00 0.00 WT5 O ATOM 52541 H1 TIP3 773 38.620 61.576 46.080 1.00 0.00 WT5 H ATOM 52542 H2 TIP3 773 39.300 60.317 46.574 1.00 0.00 WT5 H ATOM 52543 OH2 TIP3 778 25.476 61.477 18.318 1.00 0.00 WT5 O ATOM 52544 H1 TIP3 778 25.116 62.218 18.806 1.00 0.00 WT5 H ATOM 52545 H2 TIP3 778 26.375 61.394 18.636 1.00 0.00 WT5 H ATOM 52546 OH2 TIP3 779 30.823 2.640 7.312 1.00 0.00 WT5 O ATOM 52547 H1 TIP3 779 30.679 3.417 7.851 1.00 0.00 WT5 H ATOM 52548 H2 TIP3 779 29.949 2.270 7.186 1.00 0.00 WT5 H ATOM 52549 OH2 TIP3 792 36.300 80.606 -4.509 1.00 0.00 WT5 O ATOM 52550 H1 TIP3 792 35.352 80.486 -4.453 1.00 0.00 WT5 H ATOM 52551 H2 TIP3 792 36.664 79.884 -3.996 1.00 0.00 WT5 H ATOM 52552 OH2 TIP3 807 71.753 60.825 -10.797 1.00 0.00 WT5 O ATOM 52553 H1 TIP3 807 71.510 60.722 -11.717 1.00 0.00 WT5 H ATOM 52554 H2 TIP3 807 71.628 61.757 -10.618 1.00 0.00 WT5 H ATOM 52555 OH2 TIP3 808 46.378 83.984 -15.849 1.00 0.00 WT5 O ATOM 52556 H1 TIP3 808 46.565 83.301 -15.205 1.00 0.00 WT5 H ATOM 52557 H2 TIP3 808 47.121 84.584 -15.785 1.00 0.00 WT5 H ATOM 52558 OH2 TIP3 812 29.028 24.710 43.585 1.00 0.00 WT5 O ATOM 52559 H1 TIP3 812 29.368 24.311 44.386 1.00 0.00 WT5 H ATOM 52560 H2 TIP3 812 29.673 24.489 42.914 1.00 0.00 WT5 H ATOM 52561 OH2 TIP3 814 71.679 64.140 19.565 1.00 0.00 WT5 O ATOM 52562 H1 TIP3 814 70.931 63.556 19.440 1.00 0.00 WT5 H ATOM 52563 H2 TIP3 814 72.037 63.893 20.418 1.00 0.00 WT5 H ATOM 52564 OH2 TIP3 820 73.345 80.291 37.674 1.00 0.00 WT5 O ATOM 52565 H1 TIP3 820 73.567 81.208 37.514 1.00 0.00 WT5 H ATOM 52566 H2 TIP3 820 72.564 80.138 37.142 1.00 0.00 WT5 H ATOM 52567 OH2 TIP3 822 38.412 45.604 -14.110 1.00 0.00 WT5 O ATOM 52568 H1 TIP3 822 38.046 45.318 -13.272 1.00 0.00 WT5 H ATOM 52569 H2 TIP3 822 39.336 45.358 -14.064 1.00 0.00 WT5 H ATOM 52570 OH2 TIP3 824 53.966 73.344 7.428 1.00 0.00 WT5 O ATOM 52571 H1 TIP3 824 53.038 73.568 7.357 1.00 0.00 WT5 H ATOM 52572 H2 TIP3 824 54.049 72.935 8.289 1.00 0.00 WT5 H ATOM 52573 OH2 TIP3 827 78.333 7.551 2.824 1.00 0.00 WT5 O ATOM 52574 H1 TIP3 827 77.848 8.197 2.310 1.00 0.00 WT5 H ATOM 52575 H2 TIP3 827 78.732 8.057 3.531 1.00 0.00 WT5 H ATOM 52576 OH2 TIP3 829 49.158 32.491 -0.535 1.00 0.00 WT5 O ATOM 52577 H1 TIP3 829 49.948 32.606 -0.006 1.00 0.00 WT5 H ATOM 52578 H2 TIP3 829 48.446 32.795 0.027 1.00 0.00 WT5 H ATOM 52579 OH2 TIP3 834 74.625 35.773 33.330 1.00 0.00 WT5 O ATOM 52580 H1 TIP3 834 74.748 36.722 33.340 1.00 0.00 WT5 H ATOM 52581 H2 TIP3 834 74.311 35.563 34.209 1.00 0.00 WT5 H ATOM 52582 OH2 TIP3 836 21.106 91.140 2.540 1.00 0.00 WT5 O ATOM 52583 H1 TIP3 836 20.610 91.946 2.685 1.00 0.00 WT5 H ATOM 52584 H2 TIP3 836 20.880 90.582 3.285 1.00 0.00 WT5 H ATOM 52585 OH2 TIP3 843 73.692 32.139 27.321 1.00 0.00 WT5 O ATOM 52586 H1 TIP3 843 72.989 32.758 27.518 1.00 0.00 WT5 H ATOM 52587 H2 TIP3 843 73.772 32.162 26.367 1.00 0.00 WT5 H ATOM 52588 OH2 TIP3 846 20.128 73.787 14.295 1.00 0.00 WT5 O ATOM 52589 H1 TIP3 846 20.271 73.590 15.220 1.00 0.00 WT5 H ATOM 52590 H2 TIP3 846 20.525 74.649 14.168 1.00 0.00 WT5 H ATOM 52591 OH2 TIP3 852 88.054 82.671 -12.824 1.00 0.00 WT5 O ATOM 52592 H1 TIP3 852 88.233 81.733 -12.766 1.00 0.00 WT5 H ATOM 52593 H2 TIP3 852 87.569 82.873 -12.024 1.00 0.00 WT5 H ATOM 52594 OH2 TIP3 854 34.511 94.667 -4.177 1.00 0.00 WT5 O ATOM 52595 H1 TIP3 854 34.844 95.091 -3.385 1.00 0.00 WT5 H ATOM 52596 H2 TIP3 854 33.629 94.380 -3.942 1.00 0.00 WT5 H ATOM 52597 OH2 TIP3 860 26.654 91.232 -0.311 1.00 0.00 WT5 O ATOM 52598 H1 TIP3 860 26.144 91.253 -1.120 1.00 0.00 WT5 H ATOM 52599 H2 TIP3 860 26.006 91.343 0.385 1.00 0.00 WT5 H ATOM 52600 OH2 TIP3 868 58.138 59.979 58.921 1.00 0.00 WT5 O ATOM 52601 H1 TIP3 868 58.028 59.029 58.959 1.00 0.00 WT5 H ATOM 52602 H2 TIP3 868 57.675 60.306 59.693 1.00 0.00 WT5 H ATOM 52603 OH2 TIP3 878 62.742 75.864 61.162 1.00 0.00 WT5 O ATOM 52604 H1 TIP3 878 62.395 75.001 60.933 1.00 0.00 WT5 H ATOM 52605 H2 TIP3 878 63.574 75.921 60.692 1.00 0.00 WT5 H ATOM 52606 OH2 TIP3 880 89.975 13.715 34.023 1.00 0.00 WT5 O ATOM 52607 H1 TIP3 880 90.178 14.635 33.857 1.00 0.00 WT5 H ATOM 52608 H2 TIP3 880 89.891 13.655 34.974 1.00 0.00 WT5 H ATOM 52609 OH2 TIP3 884 63.291 31.501 51.715 1.00 0.00 WT5 O ATOM 52610 H1 TIP3 884 63.281 32.323 52.206 1.00 0.00 WT5 H ATOM 52611 H2 TIP3 884 63.503 31.759 50.818 1.00 0.00 WT5 H ATOM 52612 OH2 TIP3 889 62.601 96.351 60.813 1.00 0.00 WT5 O ATOM 52613 H1 TIP3 889 63.166 95.737 60.344 1.00 0.00 WT5 H ATOM 52614 H2 TIP3 889 61.716 96.011 60.681 1.00 0.00 WT5 H ATOM 52615 OH2 TIP3 892 43.122 77.634 -9.927 1.00 0.00 WT5 O ATOM 52616 H1 TIP3 892 43.724 76.896 -10.028 1.00 0.00 WT5 H ATOM 52617 H2 TIP3 892 42.593 77.409 -9.162 1.00 0.00 WT5 H ATOM 52618 OH2 TIP3 895 59.635 4.158 -19.303 1.00 0.00 WT5 O ATOM 52619 H1 TIP3 895 59.884 3.320 -18.913 1.00 0.00 WT5 H ATOM 52620 H2 TIP3 895 60.245 4.275 -20.031 1.00 0.00 WT5 H ATOM 52621 OH2 TIP3 898 32.774 36.449 17.453 1.00 0.00 WT5 O ATOM 52622 H1 TIP3 898 33.676 36.671 17.682 1.00 0.00 WT5 H ATOM 52623 H2 TIP3 898 32.311 37.287 17.460 1.00 0.00 WT5 H ATOM 52624 OH2 TIP3 901 79.186 60.593 54.287 1.00 0.00 WT5 O ATOM 52625 H1 TIP3 901 78.738 60.638 55.131 1.00 0.00 WT5 H ATOM 52626 H2 TIP3 901 78.845 59.798 53.877 1.00 0.00 WT5 H ATOM 52627 OH2 TIP3 908 85.584 21.764 -2.290 1.00 0.00 WT5 O ATOM 52628 H1 TIP3 908 86.407 22.167 -2.565 1.00 0.00 WT5 H ATOM 52629 H2 TIP3 908 85.660 20.850 -2.564 1.00 0.00 WT5 H ATOM 52630 OH2 TIP3 919 51.916 40.484 32.881 1.00 0.00 WT5 O ATOM 52631 H1 TIP3 919 52.629 39.878 33.085 1.00 0.00 WT5 H ATOM 52632 H2 TIP3 919 51.156 39.920 32.737 1.00 0.00 WT5 H ATOM 52633 OH2 TIP3 928 61.042 91.351 9.183 1.00 0.00 WT5 O ATOM 52634 H1 TIP3 928 60.280 91.706 8.726 1.00 0.00 WT5 H ATOM 52635 H2 TIP3 928 60.767 91.294 10.098 1.00 0.00 WT5 H ATOM 52636 OH2 TIP3 930 26.107 90.393 34.797 1.00 0.00 WT5 O ATOM 52637 H1 TIP3 930 26.831 90.665 35.361 1.00 0.00 WT5 H ATOM 52638 H2 TIP3 930 26.075 89.441 34.891 1.00 0.00 WT5 H ATOM 52639 OH2 TIP3 933 28.728 10.451 63.724 1.00 0.00 WT5 O ATOM 52640 H1 TIP3 933 28.869 10.764 64.618 1.00 0.00 WT5 H ATOM 52641 H2 TIP3 933 28.975 11.191 63.169 1.00 0.00 WT5 H ATOM 52642 OH2 TIP3 934 28.369 37.122 32.860 1.00 0.00 WT5 O ATOM 52643 H1 TIP3 934 28.253 37.336 31.934 1.00 0.00 WT5 H ATOM 52644 H2 TIP3 934 28.347 37.968 33.307 1.00 0.00 WT5 H ATOM 52645 OH2 TIP3 936 42.504 15.206 -6.736 1.00 0.00 WT5 O ATOM 52646 H1 TIP3 936 41.695 15.689 -6.568 1.00 0.00 WT5 H ATOM 52647 H2 TIP3 936 43.192 15.745 -6.344 1.00 0.00 WT5 H ATOM 52648 OH2 TIP3 940 72.748 81.279 -11.063 1.00 0.00 WT5 O ATOM 52649 H1 TIP3 940 73.026 80.476 -11.504 1.00 0.00 WT5 H ATOM 52650 H2 TIP3 940 71.950 81.032 -10.595 1.00 0.00 WT5 H ATOM 52651 OH2 TIP3 944 20.756 79.289 50.219 1.00 0.00 WT5 O ATOM 52652 H1 TIP3 944 20.430 79.579 49.367 1.00 0.00 WT5 H ATOM 52653 H2 TIP3 944 20.230 78.517 50.427 1.00 0.00 WT5 H ATOM 52654 OH2 TIP3 954 71.420 22.151 5.971 1.00 0.00 WT5 O ATOM 52655 H1 TIP3 954 70.620 22.478 6.383 1.00 0.00 WT5 H ATOM 52656 H2 TIP3 954 71.351 22.430 5.058 1.00 0.00 WT5 H ATOM 52657 OH2 TIP3 958 76.718 46.128 13.299 1.00 0.00 WT5 O ATOM 52658 H1 TIP3 958 76.641 46.013 12.352 1.00 0.00 WT5 H ATOM 52659 H2 TIP3 958 77.369 46.822 13.405 1.00 0.00 WT5 H ATOM 52660 OH2 TIP3 960 29.939 91.100 -15.819 1.00 0.00 WT5 O ATOM 52661 H1 TIP3 960 29.896 90.859 -14.894 1.00 0.00 WT5 H ATOM 52662 H2 TIP3 960 30.867 91.273 -15.979 1.00 0.00 WT5 H ATOM 52663 OH2 TIP3 969 70.665 68.246 -0.436 1.00 0.00 WT5 O ATOM 52664 H1 TIP3 969 70.360 67.890 0.398 1.00 0.00 WT5 H ATOM 52665 H2 TIP3 969 71.617 68.285 -0.347 1.00 0.00 WT5 H ATOM 52666 OH2 TIP3 978 63.634 49.685 39.078 1.00 0.00 WT5 O ATOM 52667 H1 TIP3 978 63.739 50.430 39.670 1.00 0.00 WT5 H ATOM 52668 H2 TIP3 978 64.226 49.872 38.349 1.00 0.00 WT5 H ATOM 52669 OH2 TIP3 981 68.130 77.561 31.502 1.00 0.00 WT5 O ATOM 52670 H1 TIP3 981 67.482 76.857 31.516 1.00 0.00 WT5 H ATOM 52671 H2 TIP3 981 67.615 78.360 31.388 1.00 0.00 WT5 H ATOM 52672 OH2 TIP3 982 68.072 22.777 -17.612 1.00 0.00 WT5 O ATOM 52673 H1 TIP3 982 67.960 21.848 -17.415 1.00 0.00 WT5 H ATOM 52674 H2 TIP3 982 67.183 23.132 -17.608 1.00 0.00 WT5 H ATOM 52675 OH2 TIP3 983 57.618 34.996 -16.127 1.00 0.00 WT5 O ATOM 52676 H1 TIP3 983 58.189 34.817 -15.380 1.00 0.00 WT5 H ATOM 52677 H2 TIP3 983 56.734 34.830 -15.799 1.00 0.00 WT5 H ATOM 52678 OH2 TIP3 986 81.941 28.088 61.676 1.00 0.00 WT5 O ATOM 52679 H1 TIP3 986 82.129 28.907 61.217 1.00 0.00 WT5 H ATOM 52680 H2 TIP3 986 81.956 28.324 62.604 1.00 0.00 WT5 H ATOM 52681 OH2 TIP3 999 73.812 1.872 57.217 1.00 0.00 WT5 O ATOM 52682 H1 TIP3 999 74.312 2.440 57.803 1.00 0.00 WT5 H ATOM 52683 H2 TIP3 999 74.184 2.035 56.350 1.00 0.00 WT5 H ATOM 52684 OH2 TIP3 1013 28.939 51.846 22.266 1.00 0.00 WT5 O ATOM 52685 H1 TIP3 1013 29.396 52.560 21.822 1.00 0.00 WT5 H ATOM 52686 H2 TIP3 1013 29.206 51.059 21.790 1.00 0.00 WT5 H ATOM 52687 OH2 TIP3 1018 25.118 80.073 63.089 1.00 0.00 WT5 O ATOM 52688 H1 TIP3 1018 25.711 80.479 63.722 1.00 0.00 WT5 H ATOM 52689 H2 TIP3 1018 25.671 79.881 62.332 1.00 0.00 WT5 H ATOM 52690 OH2 TIP3 1019 49.003 5.617 34.210 1.00 0.00 WT5 O ATOM 52691 H1 TIP3 1019 49.032 5.078 35.000 1.00 0.00 WT5 H ATOM 52692 H2 TIP3 1019 49.866 5.507 33.811 1.00 0.00 WT5 H ATOM 52693 OH2 TIP3 1024 25.551 13.526 46.679 1.00 0.00 WT5 O ATOM 52694 H1 TIP3 1024 25.264 12.613 46.650 1.00 0.00 WT5 H ATOM 52695 H2 TIP3 1024 26.094 13.582 47.465 1.00 0.00 WT5 H ATOM 52696 OH2 TIP3 1025 35.478 24.692 48.681 1.00 0.00 WT5 O ATOM 52697 H1 TIP3 1025 36.276 24.940 49.147 1.00 0.00 WT5 H ATOM 52698 H2 TIP3 1025 34.827 24.562 49.370 1.00 0.00 WT5 H ATOM 52699 OH2 TIP3 1043 25.591 11.928 9.972 1.00 0.00 WT5 O ATOM 52700 H1 TIP3 1043 26.431 11.901 10.429 1.00 0.00 WT5 H ATOM 52701 H2 TIP3 1043 25.798 11.673 9.073 1.00 0.00 WT5 H ATOM 52702 OH2 TIP3 1048 42.072 13.084 -17.839 1.00 0.00 WT5 O ATOM 52703 H1 TIP3 1048 42.969 12.822 -17.631 1.00 0.00 WT5 H ATOM 52704 H2 TIP3 1048 41.737 12.376 -18.389 1.00 0.00 WT5 H ATOM 52705 OH2 TIP3 1052 61.342 8.168 36.122 1.00 0.00 WT5 O ATOM 52706 H1 TIP3 1052 61.428 8.211 37.074 1.00 0.00 WT5 H ATOM 52707 H2 TIP3 1052 62.155 8.549 35.790 1.00 0.00 WT5 H ATOM 52708 OH2 TIP3 1061 76.667 66.259 58.267 1.00 0.00 WT5 O ATOM 52709 H1 TIP3 1061 77.296 65.573 58.489 1.00 0.00 WT5 H ATOM 52710 H2 TIP3 1061 77.203 67.037 58.114 1.00 0.00 WT5 H ATOM 52711 OH2 TIP3 1066 89.775 8.945 7.152 1.00 0.00 WT5 O ATOM 52712 H1 TIP3 1066 90.267 9.214 7.927 1.00 0.00 WT5 H ATOM 52713 H2 TIP3 1066 90.391 9.052 6.427 1.00 0.00 WT5 H ATOM 52714 OH2 TIP3 1071 59.347 37.068 -16.618 1.00 0.00 WT5 O ATOM 52715 H1 TIP3 1071 58.756 37.386 -17.301 1.00 0.00 WT5 H ATOM 52716 H2 TIP3 1071 58.994 36.212 -16.376 1.00 0.00 WT5 H ATOM 52717 OH2 TIP3 1076 21.962 28.182 0.603 1.00 0.00 WT5 O ATOM 52718 H1 TIP3 1076 21.697 27.291 0.377 1.00 0.00 WT5 H ATOM 52719 H2 TIP3 1076 22.642 28.400 -0.033 1.00 0.00 WT5 H ATOM 52720 OH2 TIP3 1077 37.229 36.184 55.611 1.00 0.00 WT5 O ATOM 52721 H1 TIP3 1077 38.148 36.184 55.879 1.00 0.00 WT5 H ATOM 52722 H2 TIP3 1077 37.153 35.436 55.017 1.00 0.00 WT5 H ATOM 52723 OH2 TIP3 1098 83.668 71.267 65.832 1.00 0.00 WT5 O ATOM 52724 H1 TIP3 1098 83.064 70.558 65.611 1.00 0.00 WT5 H ATOM 52725 H2 TIP3 1098 84.538 70.878 65.744 1.00 0.00 WT5 H ATOM 52726 OH2 TIP3 1104 90.267 20.835 10.486 1.00 0.00 WT5 O ATOM 52727 H1 TIP3 1104 91.088 20.849 10.978 1.00 0.00 WT5 H ATOM 52728 H2 TIP3 1104 90.537 20.769 9.570 1.00 0.00 WT5 H ATOM 52729 OH2 TIP3 1122 89.794 84.234 58.075 1.00 0.00 WT5 O ATOM 52730 H1 TIP3 1122 90.546 84.815 57.958 1.00 0.00 WT5 H ATOM 52731 H2 TIP3 1122 89.636 83.868 57.205 1.00 0.00 WT5 H ATOM 52732 OH2 TIP3 1125 47.169 70.524 -15.653 1.00 0.00 WT5 O ATOM 52733 H1 TIP3 1125 47.162 71.397 -16.048 1.00 0.00 WT5 H ATOM 52734 H2 TIP3 1125 46.286 70.413 -15.301 1.00 0.00 WT5 H ATOM 52735 OH2 TIP3 1138 69.214 37.344 43.237 1.00 0.00 WT5 O ATOM 52736 H1 TIP3 1138 68.651 37.170 42.482 1.00 0.00 WT5 H ATOM 52737 H2 TIP3 1138 69.234 38.299 43.306 1.00 0.00 WT5 H ATOM 52738 OH2 TIP3 1153 78.349 58.952 8.683 1.00 0.00 WT5 O ATOM 52739 H1 TIP3 1153 79.064 58.778 9.296 1.00 0.00 WT5 H ATOM 52740 H2 TIP3 1153 77.756 58.208 8.789 1.00 0.00 WT5 H ATOM 52741 OH2 TIP3 1154 35.978 68.923 39.627 1.00 0.00 WT5 O ATOM 52742 H1 TIP3 1154 36.026 69.833 39.920 1.00 0.00 WT5 H ATOM 52743 H2 TIP3 1154 36.890 68.667 39.490 1.00 0.00 WT5 H ATOM 52744 OH2 TIP3 1163 86.739 55.526 -7.463 1.00 0.00 WT5 O ATOM 52745 H1 TIP3 1163 86.594 55.380 -6.528 1.00 0.00 WT5 H ATOM 52746 H2 TIP3 1163 86.270 54.811 -7.893 1.00 0.00 WT5 H ATOM 52747 OH2 TIP3 1168 25.526 14.873 4.923 1.00 0.00 WT5 O ATOM 52748 H1 TIP3 1168 26.108 14.339 4.382 1.00 0.00 WT5 H ATOM 52749 H2 TIP3 1168 25.707 15.774 4.653 1.00 0.00 WT5 H ATOM 52750 OH2 TIP3 1173 57.608 15.772 57.470 1.00 0.00 WT5 O ATOM 52751 H1 TIP3 1173 57.120 16.544 57.185 1.00 0.00 WT5 H ATOM 52752 H2 TIP3 1173 58.114 16.073 58.225 1.00 0.00 WT5 H ATOM 52753 OH2 TIP3 1182 86.761 36.759 0.712 1.00 0.00 WT5 O ATOM 52754 H1 TIP3 1182 87.235 37.181 1.429 1.00 0.00 WT5 H ATOM 52755 H2 TIP3 1182 87.108 35.867 0.688 1.00 0.00 WT5 H ATOM 52756 OH2 TIP3 1192 42.723 74.101 29.941 1.00 0.00 WT5 O ATOM 52757 H1 TIP3 1192 43.247 74.005 30.736 1.00 0.00 WT5 H ATOM 52758 H2 TIP3 1192 43.350 74.381 29.273 1.00 0.00 WT5 H ATOM 52759 OH2 TIP3 1194 67.550 37.219 57.096 1.00 0.00 WT5 O ATOM 52760 H1 TIP3 1194 67.828 38.009 56.633 1.00 0.00 WT5 H ATOM 52761 H2 TIP3 1194 66.732 36.965 56.667 1.00 0.00 WT5 H ATOM 52762 OH2 TIP3 1195 89.423 35.443 51.516 1.00 0.00 WT5 O ATOM 52763 H1 TIP3 1195 88.929 36.137 51.951 1.00 0.00 WT5 H ATOM 52764 H2 TIP3 1195 89.143 35.485 50.601 1.00 0.00 WT5 H ATOM 52765 OH2 TIP3 1204 67.562 19.942 -16.108 1.00 0.00 WT5 O ATOM 52766 H1 TIP3 1204 67.005 19.922 -15.330 1.00 0.00 WT5 H ATOM 52767 H2 TIP3 1204 68.453 19.865 -15.767 1.00 0.00 WT5 H ATOM 52768 OH2 TIP3 1207 38.047 62.638 30.331 1.00 0.00 WT5 O ATOM 52769 H1 TIP3 1207 38.636 63.119 30.912 1.00 0.00 WT5 H ATOM 52770 H2 TIP3 1207 38.142 61.723 30.595 1.00 0.00 WT5 H ATOM 52771 OH2 TIP3 1209 66.806 53.472 14.101 1.00 0.00 WT5 O ATOM 52772 H1 TIP3 1209 65.989 53.095 14.427 1.00 0.00 WT5 H ATOM 52773 H2 TIP3 1209 66.546 53.975 13.329 1.00 0.00 WT5 H ATOM 52774 OH2 TIP3 1213 32.633 35.307 -19.773 1.00 0.00 WT5 O ATOM 52775 H1 TIP3 1213 32.344 36.106 -20.215 1.00 0.00 WT5 H ATOM 52776 H2 TIP3 1213 32.541 35.503 -18.840 1.00 0.00 WT5 H ATOM 52777 OH2 TIP3 1216 29.872 51.917 49.197 1.00 0.00 WT5 O ATOM 52778 H1 TIP3 1216 29.357 51.603 49.940 1.00 0.00 WT5 H ATOM 52779 H2 TIP3 1216 29.614 52.833 49.096 1.00 0.00 WT5 H ATOM 52780 OH2 TIP3 1217 85.196 74.101 42.994 1.00 0.00 WT5 O ATOM 52781 H1 TIP3 1217 86.006 74.212 42.495 1.00 0.00 WT5 H ATOM 52782 H2 TIP3 1217 85.451 73.574 43.751 1.00 0.00 WT5 H ATOM 52783 OH2 TIP3 1235 58.944 37.628 36.427 1.00 0.00 WT5 O ATOM 52784 H1 TIP3 1235 59.468 37.054 35.870 1.00 0.00 WT5 H ATOM 52785 H2 TIP3 1235 58.614 37.055 37.120 1.00 0.00 WT5 H ATOM 52786 OH2 TIP3 1240 51.080 61.859 2.604 1.00 0.00 WT5 O ATOM 52787 H1 TIP3 1240 50.625 62.137 3.399 1.00 0.00 WT5 H ATOM 52788 H2 TIP3 1240 51.823 62.458 2.531 1.00 0.00 WT5 H ATOM 52789 OH2 TIP3 1252 78.831 29.736 4.001 1.00 0.00 WT5 O ATOM 52790 H1 TIP3 1252 78.823 28.779 4.019 1.00 0.00 WT5 H ATOM 52791 H2 TIP3 1252 79.072 29.990 4.892 1.00 0.00 WT5 H ATOM 52792 OH2 TIP3 1253 57.262 23.007 -18.277 1.00 0.00 WT5 O ATOM 52793 H1 TIP3 1253 56.336 23.223 -18.167 1.00 0.00 WT5 H ATOM 52794 H2 TIP3 1253 57.320 22.079 -18.051 1.00 0.00 WT5 H ATOM 52795 OH2 TIP3 1258 41.895 46.173 13.887 1.00 0.00 WT5 O ATOM 52796 H1 TIP3 1258 42.736 46.149 14.344 1.00 0.00 WT5 H ATOM 52797 H2 TIP3 1258 41.692 47.105 13.806 1.00 0.00 WT5 H ATOM 52798 OH2 TIP3 1264 31.760 49.449 23.838 1.00 0.00 WT5 O ATOM 52799 H1 TIP3 1264 32.672 49.316 23.578 1.00 0.00 WT5 H ATOM 52800 H2 TIP3 1264 31.800 50.126 24.513 1.00 0.00 WT5 H ATOM 52801 OH2 TIP3 1269 80.873 11.463 3.067 1.00 0.00 WT5 O ATOM 52802 H1 TIP3 1269 80.483 10.711 3.513 1.00 0.00 WT5 H ATOM 52803 H2 TIP3 1269 80.285 12.191 3.267 1.00 0.00 WT5 H ATOM 52804 OH2 TIP3 1277 21.489 30.625 16.958 1.00 0.00 WT5 O ATOM 52805 H1 TIP3 1277 22.396 30.649 16.653 1.00 0.00 WT5 H ATOM 52806 H2 TIP3 1277 21.173 29.759 16.701 1.00 0.00 WT5 H ATOM 52807 OH2 TIP3 1278 40.307 50.023 3.956 1.00 0.00 WT5 O ATOM 52808 H1 TIP3 1278 40.640 49.162 3.703 1.00 0.00 WT5 H ATOM 52809 H2 TIP3 1278 40.912 50.644 3.549 1.00 0.00 WT5 H ATOM 52810 OH2 TIP3 1281 68.730 52.102 63.124 1.00 0.00 WT5 O ATOM 52811 H1 TIP3 1281 68.400 52.529 62.334 1.00 0.00 WT5 H ATOM 52812 H2 TIP3 1281 68.100 52.339 63.805 1.00 0.00 WT5 H ATOM 52813 OH2 TIP3 1285 31.091 59.956 -13.367 1.00 0.00 WT5 O ATOM 52814 H1 TIP3 1285 30.773 59.487 -12.595 1.00 0.00 WT5 H ATOM 52815 H2 TIP3 1285 32.028 60.069 -13.210 1.00 0.00 WT5 H ATOM 52816 OH2 TIP3 1287 29.711 86.931 6.312 1.00 0.00 WT5 O ATOM 52817 H1 TIP3 1287 30.338 86.657 6.981 1.00 0.00 WT5 H ATOM 52818 H2 TIP3 1287 30.140 87.660 5.864 1.00 0.00 WT5 H ATOM 52819 OH2 TIP3 1295 62.243 76.786 66.489 1.00 0.00 WT5 O ATOM 52820 H1 TIP3 1295 62.058 76.195 67.219 1.00 0.00 WT5 H ATOM 52821 H2 TIP3 1295 63.128 76.554 66.210 1.00 0.00 WT5 H ATOM 52822 OH2 TIP3 1298 57.674 12.178 37.443 1.00 0.00 WT5 O ATOM 52823 H1 TIP3 1298 56.806 12.138 37.044 1.00 0.00 WT5 H ATOM 52824 H2 TIP3 1298 58.113 12.900 36.993 1.00 0.00 WT5 H ATOM 52825 OH2 TIP3 1301 65.669 24.499 57.700 1.00 0.00 WT5 O ATOM 52826 H1 TIP3 1301 65.070 23.842 58.055 1.00 0.00 WT5 H ATOM 52827 H2 TIP3 1301 65.141 25.295 57.634 1.00 0.00 WT5 H ATOM 52828 OH2 TIP3 1303 34.941 61.567 26.303 1.00 0.00 WT5 O ATOM 52829 H1 TIP3 1303 35.578 61.028 25.834 1.00 0.00 WT5 H ATOM 52830 H2 TIP3 1303 35.354 62.428 26.366 1.00 0.00 WT5 H ATOM 52831 OH2 TIP3 1312 53.629 2.771 -1.384 1.00 0.00 WT5 O ATOM 52832 H1 TIP3 1312 53.948 3.503 -0.855 1.00 0.00 WT5 H ATOM 52833 H2 TIP3 1312 52.832 3.103 -1.798 1.00 0.00 WT5 H ATOM 52834 OH2 TIP3 1318 58.128 80.624 -13.324 1.00 0.00 WT5 O ATOM 52835 H1 TIP3 1318 58.438 80.251 -12.499 1.00 0.00 WT5 H ATOM 52836 H2 TIP3 1318 57.544 79.957 -13.684 1.00 0.00 WT5 H ATOM 52837 OH2 TIP3 1336 79.441 36.149 -12.864 1.00 0.00 WT5 O ATOM 52838 H1 TIP3 1336 79.958 35.344 -12.879 1.00 0.00 WT5 H ATOM 52839 H2 TIP3 1336 79.939 36.744 -12.304 1.00 0.00 WT5 H ATOM 52840 OH2 TIP3 1345 46.640 51.991 25.022 1.00 0.00 WT5 O ATOM 52841 H1 TIP3 1345 46.414 51.086 24.807 1.00 0.00 WT5 H ATOM 52842 H2 TIP3 1345 47.476 52.141 24.583 1.00 0.00 WT5 H ATOM 52843 OH2 TIP3 1354 79.432 86.831 -18.264 1.00 0.00 WT5 O ATOM 52844 H1 TIP3 1354 79.246 87.611 -18.787 1.00 0.00 WT5 H ATOM 52845 H2 TIP3 1354 78.606 86.348 -18.250 1.00 0.00 WT5 H ATOM 52846 OH2 TIP3 1366 59.362 29.439 52.737 1.00 0.00 WT5 O ATOM 52847 H1 TIP3 1366 58.803 29.517 51.965 1.00 0.00 WT5 H ATOM 52848 H2 TIP3 1366 59.690 30.326 52.886 1.00 0.00 WT5 H ATOM 52849 OH2 TIP3 1370 62.866 5.533 43.292 1.00 0.00 WT5 O ATOM 52850 H1 TIP3 1370 62.734 6.296 42.731 1.00 0.00 WT5 H ATOM 52851 H2 TIP3 1370 63.693 5.155 42.993 1.00 0.00 WT5 H ATOM 52852 OH2 TIP3 1373 80.414 64.459 8.564 1.00 0.00 WT5 O ATOM 52853 H1 TIP3 1373 79.738 64.291 7.909 1.00 0.00 WT5 H ATOM 52854 H2 TIP3 1373 80.719 63.590 8.823 1.00 0.00 WT5 H ATOM 52855 OH2 TIP3 1381 60.217 42.626 1.201 1.00 0.00 WT5 O ATOM 52856 H1 TIP3 1381 59.413 42.551 0.687 1.00 0.00 WT5 H ATOM 52857 H2 TIP3 1381 60.128 41.961 1.883 1.00 0.00 WT5 H ATOM 52858 OH2 TIP3 1382 85.132 60.910 -18.509 1.00 0.00 WT5 O ATOM 52859 H1 TIP3 1382 84.716 60.063 -18.669 1.00 0.00 WT5 H ATOM 52860 H2 TIP3 1382 86.025 60.805 -18.838 1.00 0.00 WT5 H ATOM 52861 OH2 TIP3 1383 90.246 81.864 59.865 1.00 0.00 WT5 O ATOM 52862 H1 TIP3 1383 90.264 81.920 60.820 1.00 0.00 WT5 H ATOM 52863 H2 TIP3 1383 90.250 80.925 59.679 1.00 0.00 WT5 H ATOM 52864 OH2 TIP3 1387 30.970 13.201 60.475 1.00 0.00 WT5 O ATOM 52865 H1 TIP3 1387 30.294 12.542 60.635 1.00 0.00 WT5 H ATOM 52866 H2 TIP3 1387 31.645 13.015 61.127 1.00 0.00 WT5 H ATOM 52867 OH2 TIP3 1395 83.009 38.665 35.361 1.00 0.00 WT5 O ATOM 52868 H1 TIP3 1395 82.079 38.594 35.148 1.00 0.00 WT5 H ATOM 52869 H2 TIP3 1395 83.025 38.941 36.277 1.00 0.00 WT5 H ATOM 52870 OH2 TIP3 1399 33.251 10.537 15.993 1.00 0.00 WT5 O ATOM 52871 H1 TIP3 1399 32.308 10.584 15.833 1.00 0.00 WT5 H ATOM 52872 H2 TIP3 1399 33.620 11.240 15.459 1.00 0.00 WT5 H ATOM 52873 OH2 TIP3 1401 70.716 20.839 -1.825 1.00 0.00 WT5 O ATOM 52874 H1 TIP3 1401 71.071 20.526 -2.657 1.00 0.00 WT5 H ATOM 52875 H2 TIP3 1401 71.486 21.095 -1.317 1.00 0.00 WT5 H ATOM 52876 OH2 TIP3 1408 53.780 55.093 -13.342 1.00 0.00 WT5 O ATOM 52877 H1 TIP3 1408 54.093 55.861 -12.864 1.00 0.00 WT5 H ATOM 52878 H2 TIP3 1408 52.827 55.134 -13.262 1.00 0.00 WT5 H ATOM 52879 OH2 TIP3 1409 35.172 84.251 20.220 1.00 0.00 WT5 O ATOM 52880 H1 TIP3 1409 35.276 83.379 19.838 1.00 0.00 WT5 H ATOM 52881 H2 TIP3 1409 36.059 84.607 20.251 1.00 0.00 WT5 H ATOM 52882 OH2 TIP3 1414 61.428 77.849 39.726 1.00 0.00 WT5 O ATOM 52883 H1 TIP3 1414 61.245 77.821 40.665 1.00 0.00 WT5 H ATOM 52884 H2 TIP3 1414 61.003 77.067 39.374 1.00 0.00 WT5 H ATOM 52885 OH2 TIP3 1429 30.538 63.805 25.451 1.00 0.00 WT5 O ATOM 52886 H1 TIP3 1429 30.840 64.305 26.209 1.00 0.00 WT5 H ATOM 52887 H2 TIP3 1429 30.893 62.926 25.585 1.00 0.00 WT5 H ATOM 52888 OH2 TIP3 1433 25.697 92.304 65.376 1.00 0.00 WT5 O ATOM 52889 H1 TIP3 1433 26.089 91.432 65.435 1.00 0.00 WT5 H ATOM 52890 H2 TIP3 1433 24.868 92.227 65.849 1.00 0.00 WT5 H ATOM 52891 OH2 TIP3 1436 88.147 86.890 56.491 1.00 0.00 WT5 O ATOM 52892 H1 TIP3 1436 88.743 86.828 57.238 1.00 0.00 WT5 H ATOM 52893 H2 TIP3 1436 88.699 87.185 55.768 1.00 0.00 WT5 H ATOM 52894 OH2 TIP3 1440 89.042 87.808 -12.659 1.00 0.00 WT5 O ATOM 52895 H1 TIP3 1440 88.920 87.004 -13.164 1.00 0.00 WT5 H ATOM 52896 H2 TIP3 1440 88.571 87.651 -11.841 1.00 0.00 WT5 H ATOM 52897 OH2 TIP3 1445 69.758 34.094 15.900 1.00 0.00 WT5 O ATOM 52898 H1 TIP3 1445 68.924 34.476 15.624 1.00 0.00 WT5 H ATOM 52899 H2 TIP3 1445 69.533 33.211 16.191 1.00 0.00 WT5 H ATOM 52900 OH2 TIP3 1447 77.020 41.310 35.475 1.00 0.00 WT5 O ATOM 52901 H1 TIP3 1447 76.318 41.762 35.006 1.00 0.00 WT5 H ATOM 52902 H2 TIP3 1447 77.708 41.969 35.569 1.00 0.00 WT5 H ATOM 52903 OH2 TIP3 1451 72.381 73.911 -4.568 1.00 0.00 WT5 O ATOM 52904 H1 TIP3 1451 72.106 73.074 -4.193 1.00 0.00 WT5 H ATOM 52905 H2 TIP3 1451 72.631 74.442 -3.811 1.00 0.00 WT5 H ATOM 52906 OH2 TIP3 1459 70.886 74.418 51.493 1.00 0.00 WT5 O ATOM 52907 H1 TIP3 1459 71.177 75.194 51.972 1.00 0.00 WT5 H ATOM 52908 H2 TIP3 1459 71.207 74.552 50.601 1.00 0.00 WT5 H ATOM 52909 OH2 TIP3 1466 21.363 71.194 48.402 1.00 0.00 WT5 O ATOM 52910 H1 TIP3 1466 22.001 71.876 48.193 1.00 0.00 WT5 H ATOM 52911 H2 TIP3 1466 20.719 71.244 47.695 1.00 0.00 WT5 H ATOM 52912 OH2 TIP3 1473 66.639 94.400 30.414 1.00 0.00 WT5 O ATOM 52913 H1 TIP3 1473 66.280 94.061 31.235 1.00 0.00 WT5 H ATOM 52914 H2 TIP3 1473 66.748 95.338 30.569 1.00 0.00 WT5 H ATOM 52915 OH2 TIP3 1476 86.089 59.360 -11.610 1.00 0.00 WT5 O ATOM 52916 H1 TIP3 1476 85.968 58.435 -11.824 1.00 0.00 WT5 H ATOM 52917 H2 TIP3 1476 86.883 59.381 -11.075 1.00 0.00 WT5 H ATOM 52918 OH2 TIP3 1477 25.148 66.114 10.654 1.00 0.00 WT5 O ATOM 52919 H1 TIP3 1477 25.815 66.652 10.230 1.00 0.00 WT5 H ATOM 52920 H2 TIP3 1477 25.587 65.750 11.423 1.00 0.00 WT5 H ATOM 52921 OH2 TIP3 1480 72.066 88.601 66.326 1.00 0.00 WT5 O ATOM 52922 H1 TIP3 1480 71.652 88.052 66.992 1.00 0.00 WT5 H ATOM 52923 H2 TIP3 1480 72.050 89.483 66.698 1.00 0.00 WT5 H ATOM 52924 OH2 TIP3 1483 30.998 35.023 14.461 1.00 0.00 WT5 O ATOM 52925 H1 TIP3 1483 31.927 34.816 14.557 1.00 0.00 WT5 H ATOM 52926 H2 TIP3 1483 30.544 34.262 14.823 1.00 0.00 WT5 H ATOM 52927 OH2 TIP3 1486 36.014 4.790 35.935 1.00 0.00 WT5 O ATOM 52928 H1 TIP3 1486 36.387 3.923 35.776 1.00 0.00 WT5 H ATOM 52929 H2 TIP3 1486 35.741 5.097 35.071 1.00 0.00 WT5 H ATOM 52930 OH2 TIP3 1492 43.349 48.473 45.351 1.00 0.00 WT5 O ATOM 52931 H1 TIP3 1492 43.560 48.243 44.446 1.00 0.00 WT5 H ATOM 52932 H2 TIP3 1492 43.931 49.206 45.554 1.00 0.00 WT5 H ATOM 52933 OH2 TIP3 1508 88.716 37.618 8.171 1.00 0.00 WT5 O ATOM 52934 H1 TIP3 1508 89.351 37.194 8.749 1.00 0.00 WT5 H ATOM 52935 H2 TIP3 1508 87.888 37.568 8.647 1.00 0.00 WT5 H ATOM 52936 OH2 TIP3 1509 34.559 32.024 58.166 1.00 0.00 WT5 O ATOM 52937 H1 TIP3 1509 34.522 31.883 57.220 1.00 0.00 WT5 H ATOM 52938 H2 TIP3 1509 33.647 31.985 58.451 1.00 0.00 WT5 H ATOM 52939 OH2 TIP3 1518 27.579 85.446 22.914 1.00 0.00 WT5 O ATOM 52940 H1 TIP3 1518 28.278 85.113 23.477 1.00 0.00 WT5 H ATOM 52941 H2 TIP3 1518 27.513 86.374 23.136 1.00 0.00 WT5 H ATOM 52942 OH2 TIP3 1524 58.200 18.857 36.503 1.00 0.00 WT5 O ATOM 52943 H1 TIP3 1524 59.034 18.404 36.378 1.00 0.00 WT5 H ATOM 52944 H2 TIP3 1524 58.431 19.786 36.513 1.00 0.00 WT5 H ATOM 52945 OH2 TIP3 1527 30.729 54.623 -4.879 1.00 0.00 WT5 O ATOM 52946 H1 TIP3 1527 29.787 54.750 -4.990 1.00 0.00 WT5 H ATOM 52947 H2 TIP3 1527 30.802 53.878 -4.282 1.00 0.00 WT5 H ATOM 52948 OH2 TIP3 1546 74.867 56.655 56.485 1.00 0.00 WT5 O ATOM 52949 H1 TIP3 1546 74.293 56.153 55.906 1.00 0.00 WT5 H ATOM 52950 H2 TIP3 1546 75.717 56.220 56.417 1.00 0.00 WT5 H ATOM 52951 OH2 TIP3 1557 26.050 96.187 7.810 1.00 0.00 WT5 O ATOM 52952 H1 TIP3 1557 25.204 96.334 7.386 1.00 0.00 WT5 H ATOM 52953 H2 TIP3 1557 26.577 95.742 7.147 1.00 0.00 WT5 H ATOM 52954 OH2 TIP3 1573 57.068 71.120 -11.352 1.00 0.00 WT5 O ATOM 52955 H1 TIP3 1573 57.270 70.212 -11.126 1.00 0.00 WT5 H ATOM 52956 H2 TIP3 1573 56.242 71.300 -10.903 1.00 0.00 WT5 H ATOM 52957 OH2 TIP3 1574 85.046 88.217 24.190 1.00 0.00 WT5 O ATOM 52958 H1 TIP3 1574 84.632 89.065 24.350 1.00 0.00 WT5 H ATOM 52959 H2 TIP3 1574 84.812 87.688 24.953 1.00 0.00 WT5 H ATOM 52960 OH2 TIP3 1589 42.531 7.527 43.802 1.00 0.00 WT5 O ATOM 52961 H1 TIP3 1589 42.824 7.578 42.892 1.00 0.00 WT5 H ATOM 52962 H2 TIP3 1589 41.592 7.708 43.763 1.00 0.00 WT5 H ATOM 52963 OH2 TIP3 1592 74.573 42.909 3.148 1.00 0.00 WT5 O ATOM 52964 H1 TIP3 1592 74.583 43.866 3.125 1.00 0.00 WT5 H ATOM 52965 H2 TIP3 1592 74.030 42.694 3.906 1.00 0.00 WT5 H ATOM 52966 OH2 TIP3 1599 66.981 25.629 -6.708 1.00 0.00 WT5 O ATOM 52967 H1 TIP3 1599 67.178 25.452 -5.788 1.00 0.00 WT5 H ATOM 52968 H2 TIP3 1599 67.440 24.940 -7.189 1.00 0.00 WT5 H ATOM 52969 OH2 TIP3 1600 89.764 64.704 22.984 1.00 0.00 WT5 O ATOM 52970 H1 TIP3 1600 90.072 63.799 23.025 1.00 0.00 WT5 H ATOM 52971 H2 TIP3 1600 89.334 64.772 22.131 1.00 0.00 WT5 H ATOM 52972 OH2 TIP3 1612 64.688 44.021 39.092 1.00 0.00 WT5 O ATOM 52973 H1 TIP3 1612 64.268 44.728 38.602 1.00 0.00 WT5 H ATOM 52974 H2 TIP3 1612 64.337 43.219 38.705 1.00 0.00 WT5 H ATOM 52975 OH2 TIP3 1613 73.229 52.056 -17.379 1.00 0.00 WT5 O ATOM 52976 H1 TIP3 1613 73.021 52.786 -17.962 1.00 0.00 WT5 H ATOM 52977 H2 TIP3 1613 72.525 51.425 -17.524 1.00 0.00 WT5 H ATOM 52978 OH2 TIP3 1615 79.308 69.270 24.496 1.00 0.00 WT5 O ATOM 52979 H1 TIP3 1615 79.864 69.062 23.745 1.00 0.00 WT5 H ATOM 52980 H2 TIP3 1615 78.529 69.673 24.114 1.00 0.00 WT5 H ATOM 52981 OH2 TIP3 1618 82.568 36.819 61.664 1.00 0.00 WT5 O ATOM 52982 H1 TIP3 1618 81.954 37.510 61.912 1.00 0.00 WT5 H ATOM 52983 H2 TIP3 1618 83.316 37.285 61.289 1.00 0.00 WT5 H ATOM 52984 OH2 TIP3 1624 80.452 34.971 53.789 1.00 0.00 WT5 O ATOM 52985 H1 TIP3 1624 79.710 35.520 54.042 1.00 0.00 WT5 H ATOM 52986 H2 TIP3 1624 81.188 35.314 54.296 1.00 0.00 WT5 H ATOM 52987 OH2 TIP3 1625 20.984 69.081 62.278 1.00 0.00 WT5 O ATOM 52988 H1 TIP3 1625 21.025 69.749 61.594 1.00 0.00 WT5 H ATOM 52989 H2 TIP3 1625 20.307 69.393 62.878 1.00 0.00 WT5 H ATOM 52990 OH2 TIP3 1627 25.173 63.393 43.215 1.00 0.00 WT5 O ATOM 52991 H1 TIP3 1627 24.856 62.795 43.892 1.00 0.00 WT5 H ATOM 52992 H2 TIP3 1627 25.155 64.256 43.629 1.00 0.00 WT5 H ATOM 52993 OH2 TIP3 1629 56.523 1.453 63.580 1.00 0.00 WT5 O ATOM 52994 H1 TIP3 1629 56.284 1.651 64.486 1.00 0.00 WT5 H ATOM 52995 H2 TIP3 1629 57.478 1.516 63.565 1.00 0.00 WT5 H ATOM 52996 OH2 TIP3 1631 36.526 83.877 25.762 1.00 0.00 WT5 O ATOM 52997 H1 TIP3 1631 37.149 83.273 26.168 1.00 0.00 WT5 H ATOM 52998 H2 TIP3 1631 36.842 83.980 24.865 1.00 0.00 WT5 H ATOM 52999 OH2 TIP3 1636 34.854 32.483 29.597 1.00 0.00 WT5 O ATOM 53000 H1 TIP3 1636 34.555 33.103 30.263 1.00 0.00 WT5 H ATOM 53001 H2 TIP3 1636 34.492 32.819 28.777 1.00 0.00 WT5 H ATOM 53002 OH2 TIP3 1642 70.099 48.048 12.964 1.00 0.00 WT5 O ATOM 53003 H1 TIP3 1642 69.490 48.720 13.268 1.00 0.00 WT5 H ATOM 53004 H2 TIP3 1642 69.544 47.295 12.761 1.00 0.00 WT5 H ATOM 53005 OH2 TIP3 1648 49.846 44.334 -1.243 1.00 0.00 WT5 O ATOM 53006 H1 TIP3 1648 50.608 44.488 -1.801 1.00 0.00 WT5 H ATOM 53007 H2 TIP3 1648 50.215 44.095 -0.393 1.00 0.00 WT5 H ATOM 53008 OH2 TIP3 1651 76.156 66.543 -17.710 1.00 0.00 WT5 O ATOM 53009 H1 TIP3 1651 76.978 66.198 -17.360 1.00 0.00 WT5 H ATOM 53010 H2 TIP3 1651 76.181 66.322 -18.641 1.00 0.00 WT5 H ATOM 53011 OH2 TIP3 1656 83.604 48.082 38.315 1.00 0.00 WT5 O ATOM 53012 H1 TIP3 1656 84.012 47.457 37.715 1.00 0.00 WT5 H ATOM 53013 H2 TIP3 1656 82.773 47.673 38.557 1.00 0.00 WT5 H ATOM 53014 OH2 TIP3 1664 47.349 90.082 -6.481 1.00 0.00 WT5 O ATOM 53015 H1 TIP3 1664 46.604 90.675 -6.380 1.00 0.00 WT5 H ATOM 53016 H2 TIP3 1664 47.024 89.235 -6.174 1.00 0.00 WT5 H ATOM 53017 OH2 TIP3 1678 63.691 49.233 30.196 1.00 0.00 WT5 O ATOM 53018 H1 TIP3 1678 62.740 49.255 30.093 1.00 0.00 WT5 H ATOM 53019 H2 TIP3 1678 64.031 49.325 29.306 1.00 0.00 WT5 H ATOM 53020 OH2 TIP3 1691 37.695 49.825 44.487 1.00 0.00 WT5 O ATOM 53021 H1 TIP3 1691 38.310 50.313 43.940 1.00 0.00 WT5 H ATOM 53022 H2 TIP3 1691 37.916 50.080 45.383 1.00 0.00 WT5 H ATOM 53023 OH2 TIP3 1697 42.479 42.018 22.372 1.00 0.00 WT5 O ATOM 53024 H1 TIP3 1697 43.249 41.469 22.522 1.00 0.00 WT5 H ATOM 53025 H2 TIP3 1697 42.734 42.882 22.694 1.00 0.00 WT5 H ATOM 53026 OH2 TIP3 1698 73.406 68.229 3.480 1.00 0.00 WT5 O ATOM 53027 H1 TIP3 1698 74.048 68.114 4.180 1.00 0.00 WT5 H ATOM 53028 H2 TIP3 1698 72.678 68.691 3.895 1.00 0.00 WT5 H ATOM 53029 OH2 TIP3 1706 29.979 5.554 8.048 1.00 0.00 WT5 O ATOM 53030 H1 TIP3 1706 30.226 6.474 8.145 1.00 0.00 WT5 H ATOM 53031 H2 TIP3 1706 30.480 5.099 8.724 1.00 0.00 WT5 H ATOM 53032 OH2 TIP3 1725 50.572 87.062 4.152 1.00 0.00 WT5 O ATOM 53033 H1 TIP3 1725 50.051 87.339 4.905 1.00 0.00 WT5 H ATOM 53034 H2 TIP3 1725 50.044 86.384 3.731 1.00 0.00 WT5 H ATOM 53035 OH2 TIP3 1737 80.241 79.120 64.448 1.00 0.00 WT5 O ATOM 53036 H1 TIP3 1737 80.337 79.528 65.309 1.00 0.00 WT5 H ATOM 53037 H2 TIP3 1737 81.138 78.968 64.152 1.00 0.00 WT5 H ATOM 53038 OH2 TIP3 1751 26.900 59.413 53.321 1.00 0.00 WT5 O ATOM 53039 H1 TIP3 1751 27.483 59.590 54.059 1.00 0.00 WT5 H ATOM 53040 H2 TIP3 1751 26.336 60.185 53.270 1.00 0.00 WT5 H ATOM 53041 OH2 TIP3 1754 69.864 51.457 -2.782 1.00 0.00 WT5 O ATOM 53042 H1 TIP3 1754 69.818 52.354 -3.113 1.00 0.00 WT5 H ATOM 53043 H2 TIP3 1754 69.626 51.530 -1.857 1.00 0.00 WT5 H ATOM 53044 OH2 TIP3 1758 34.949 47.545 46.857 1.00 0.00 WT5 O ATOM 53045 H1 TIP3 1758 35.276 47.902 47.682 1.00 0.00 WT5 H ATOM 53046 H2 TIP3 1758 34.448 46.771 47.112 1.00 0.00 WT5 H ATOM 53047 OH2 TIP3 1763 87.441 86.202 -17.871 1.00 0.00 WT5 O ATOM 53048 H1 TIP3 1763 87.958 86.463 -17.109 1.00 0.00 WT5 H ATOM 53049 H2 TIP3 1763 88.073 86.167 -18.589 1.00 0.00 WT5 H ATOM 53050 OH2 TIP3 1769 41.577 13.944 -15.262 1.00 0.00 WT5 O ATOM 53051 H1 TIP3 1769 41.916 13.632 -16.101 1.00 0.00 WT5 H ATOM 53052 H2 TIP3 1769 40.784 13.428 -15.117 1.00 0.00 WT5 H ATOM 53053 OH2 TIP3 1771 80.368 65.986 49.568 1.00 0.00 WT5 O ATOM 53054 H1 TIP3 1771 80.553 65.150 49.995 1.00 0.00 WT5 H ATOM 53055 H2 TIP3 1771 80.888 65.965 48.764 1.00 0.00 WT5 H ATOM 53056 OH2 TIP3 1775 25.714 8.582 48.900 1.00 0.00 WT5 O ATOM 53057 H1 TIP3 1775 25.476 7.934 48.237 1.00 0.00 WT5 H ATOM 53058 H2 TIP3 1775 26.192 9.255 48.416 1.00 0.00 WT5 H ATOM 53059 OH2 TIP3 1777 70.713 47.760 6.641 1.00 0.00 WT5 O ATOM 53060 H1 TIP3 1777 69.802 47.876 6.909 1.00 0.00 WT5 H ATOM 53061 H2 TIP3 1777 70.697 47.002 6.056 1.00 0.00 WT5 H ATOM 53062 OH2 TIP3 1778 70.615 30.905 4.556 1.00 0.00 WT5 O ATOM 53063 H1 TIP3 1778 71.045 31.414 3.868 1.00 0.00 WT5 H ATOM 53064 H2 TIP3 1778 70.369 31.553 5.215 1.00 0.00 WT5 H ATOM 53065 OH2 TIP3 1779 31.608 1.331 19.632 1.00 0.00 WT5 O ATOM 53066 H1 TIP3 1779 31.270 0.671 20.237 1.00 0.00 WT5 H ATOM 53067 H2 TIP3 1779 32.559 1.277 19.725 1.00 0.00 WT5 H ATOM 53068 OH2 TIP3 1783 35.679 94.347 21.642 1.00 0.00 WT5 O ATOM 53069 H1 TIP3 1783 36.569 93.996 21.616 1.00 0.00 WT5 H ATOM 53070 H2 TIP3 1783 35.650 94.869 22.444 1.00 0.00 WT5 H ATOM 53071 OH2 TIP3 1803 42.276 41.171 15.839 1.00 0.00 WT5 O ATOM 53072 H1 TIP3 1803 43.231 41.237 15.811 1.00 0.00 WT5 H ATOM 53073 H2 TIP3 1803 42.041 41.474 16.716 1.00 0.00 WT5 H ATOM 53074 OH2 TIP3 1812 36.388 77.908 64.586 1.00 0.00 WT5 O ATOM 53075 H1 TIP3 1812 35.904 77.120 64.338 1.00 0.00 WT5 H ATOM 53076 H2 TIP3 1812 37.257 77.786 64.204 1.00 0.00 WT5 H ATOM 53077 OH2 TIP3 1849 59.489 94.498 44.000 1.00 0.00 WT5 O ATOM 53078 H1 TIP3 1849 59.516 95.404 44.306 1.00 0.00 WT5 H ATOM 53079 H2 TIP3 1849 60.266 94.407 43.449 1.00 0.00 WT5 H ATOM 53080 OH2 TIP3 1853 62.429 32.973 -14.013 1.00 0.00 WT5 O ATOM 53081 H1 TIP3 1853 61.702 32.800 -13.415 1.00 0.00 WT5 H ATOM 53082 H2 TIP3 1853 62.835 33.770 -13.674 1.00 0.00 WT5 H ATOM 53083 OH2 TIP3 1858 73.610 87.057 -8.638 1.00 0.00 WT5 O ATOM 53084 H1 TIP3 1858 73.345 87.480 -9.455 1.00 0.00 WT5 H ATOM 53085 H2 TIP3 1858 74.485 87.402 -8.462 1.00 0.00 WT5 H ATOM 53086 OH2 TIP3 1859 22.329 29.446 29.389 1.00 0.00 WT5 O ATOM 53087 H1 TIP3 1859 22.317 28.589 28.963 1.00 0.00 WT5 H ATOM 53088 H2 TIP3 1859 22.850 29.998 28.805 1.00 0.00 WT5 H ATOM 53089 OH2 TIP3 1864 36.718 35.989 34.382 1.00 0.00 WT5 O ATOM 53090 H1 TIP3 1864 37.505 35.505 34.132 1.00 0.00 WT5 H ATOM 53091 H2 TIP3 1864 36.435 36.421 33.575 1.00 0.00 WT5 H ATOM 53092 OH2 TIP3 1879 41.792 36.954 20.948 1.00 0.00 WT5 O ATOM 53093 H1 TIP3 1879 42.367 36.723 21.677 1.00 0.00 WT5 H ATOM 53094 H2 TIP3 1879 42.381 37.308 20.281 1.00 0.00 WT5 H ATOM 53095 OH2 TIP3 1880 30.405 16.693 36.766 1.00 0.00 WT5 O ATOM 53096 H1 TIP3 1880 30.569 16.225 37.585 1.00 0.00 WT5 H ATOM 53097 H2 TIP3 1880 29.553 17.109 36.894 1.00 0.00 WT5 H ATOM 53098 OH2 TIP3 1882 88.261 7.172 63.022 1.00 0.00 WT5 O ATOM 53099 H1 TIP3 1882 88.103 7.919 62.445 1.00 0.00 WT5 H ATOM 53100 H2 TIP3 1882 88.906 7.488 63.654 1.00 0.00 WT5 H ATOM 53101 OH2 TIP3 1892 72.078 53.011 52.752 1.00 0.00 WT5 O ATOM 53102 H1 TIP3 1892 71.448 52.771 52.073 1.00 0.00 WT5 H ATOM 53103 H2 TIP3 1892 72.771 52.355 52.679 1.00 0.00 WT5 H ATOM 53104 OH2 TIP3 1897 45.566 7.135 3.353 1.00 0.00 WT5 O ATOM 53105 H1 TIP3 1897 46.088 6.375 3.095 1.00 0.00 WT5 H ATOM 53106 H2 TIP3 1897 45.133 6.865 4.163 1.00 0.00 WT5 H ATOM 53107 OH2 TIP3 1898 35.778 21.819 35.783 1.00 0.00 WT5 O ATOM 53108 H1 TIP3 1898 36.046 22.650 35.390 1.00 0.00 WT5 H ATOM 53109 H2 TIP3 1898 35.439 21.305 35.050 1.00 0.00 WT5 H ATOM 53110 OH2 TIP3 1925 68.300 1.747 -7.843 1.00 0.00 WT5 O ATOM 53111 H1 TIP3 1925 68.482 1.398 -6.970 1.00 0.00 WT5 H ATOM 53112 H2 TIP3 1925 67.998 2.641 -7.686 1.00 0.00 WT5 H ATOM 53113 OH2 TIP3 1939 75.816 46.401 55.169 1.00 0.00 WT5 O ATOM 53114 H1 TIP3 1939 76.502 46.702 54.573 1.00 0.00 WT5 H ATOM 53115 H2 TIP3 1939 75.005 46.495 54.669 1.00 0.00 WT5 H ATOM 53116 OH2 TIP3 1949 24.412 22.174 55.473 1.00 0.00 WT5 O ATOM 53117 H1 TIP3 1949 25.077 21.647 55.030 1.00 0.00 WT5 H ATOM 53118 H2 TIP3 1949 24.352 21.798 56.350 1.00 0.00 WT5 H ATOM 53119 OH2 TIP3 1960 73.705 16.338 43.742 1.00 0.00 WT5 O ATOM 53120 H1 TIP3 1960 72.880 16.823 43.741 1.00 0.00 WT5 H ATOM 53121 H2 TIP3 1960 73.772 15.981 44.628 1.00 0.00 WT5 H ATOM 53122 OH2 TIP3 1965 48.170 21.964 19.977 1.00 0.00 WT5 O ATOM 53123 H1 TIP3 1965 48.746 22.709 19.804 1.00 0.00 WT5 H ATOM 53124 H2 TIP3 1965 47.296 22.276 19.743 1.00 0.00 WT5 H ATOM 53125 OH2 TIP3 1978 77.760 39.299 -15.760 1.00 0.00 WT5 O ATOM 53126 H1 TIP3 1978 78.055 38.961 -14.915 1.00 0.00 WT5 H ATOM 53127 H2 TIP3 1978 78.446 39.912 -16.026 1.00 0.00 WT5 H ATOM 53128 OH2 TIP3 1990 87.987 41.926 36.408 1.00 0.00 WT5 O ATOM 53129 H1 TIP3 1990 88.164 42.849 36.223 1.00 0.00 WT5 H ATOM 53130 H2 TIP3 1990 87.624 41.924 37.294 1.00 0.00 WT5 H ATOM 53131 OH2 TIP3 1994 34.717 54.723 40.975 1.00 0.00 WT5 O ATOM 53132 H1 TIP3 1994 35.205 55.466 40.618 1.00 0.00 WT5 H ATOM 53133 H2 TIP3 1994 34.974 54.688 41.896 1.00 0.00 WT5 H ATOM 53134 OH2 TIP3 2000 41.563 95.656 42.363 1.00 0.00 WT5 O ATOM 53135 H1 TIP3 2000 41.135 96.317 41.819 1.00 0.00 WT5 H ATOM 53136 H2 TIP3 2000 42.490 95.895 42.346 1.00 0.00 WT5 H ATOM 53137 OH2 TIP3 2017 73.987 66.068 -10.680 1.00 0.00 WT5 O ATOM 53138 H1 TIP3 2017 73.962 65.530 -9.888 1.00 0.00 WT5 H ATOM 53139 H2 TIP3 2017 73.913 66.967 -10.362 1.00 0.00 WT5 H ATOM 53140 OH2 TIP3 2022 89.172 81.315 44.799 1.00 0.00 WT5 O ATOM 53141 H1 TIP3 2022 88.600 81.422 44.039 1.00 0.00 WT5 H ATOM 53142 H2 TIP3 2022 89.384 82.209 45.067 1.00 0.00 WT5 H ATOM 53143 OH2 TIP3 2025 58.469 95.904 24.106 1.00 0.00 WT5 O ATOM 53144 H1 TIP3 2025 58.977 95.766 23.307 1.00 0.00 WT5 H ATOM 53145 H2 TIP3 2025 57.585 96.102 23.798 1.00 0.00 WT5 H ATOM 53146 OH2 TIP3 2053 38.613 17.375 16.201 1.00 0.00 WT5 O ATOM 53147 H1 TIP3 2053 39.079 17.384 17.037 1.00 0.00 WT5 H ATOM 53148 H2 TIP3 2053 39.280 17.599 15.552 1.00 0.00 WT5 H ATOM 53149 OH2 TIP3 2056 67.627 92.294 45.212 1.00 0.00 WT5 O ATOM 53150 H1 TIP3 2056 67.452 91.799 44.412 1.00 0.00 WT5 H ATOM 53151 H2 TIP3 2056 66.869 92.871 45.309 1.00 0.00 WT5 H ATOM 53152 OH2 TIP3 2058 82.134 63.187 5.247 1.00 0.00 WT5 O ATOM 53153 H1 TIP3 2058 81.587 63.932 5.495 1.00 0.00 WT5 H ATOM 53154 H2 TIP3 2058 82.269 63.291 4.305 1.00 0.00 WT5 H ATOM 53155 OH2 TIP3 2080 20.532 17.952 36.767 1.00 0.00 WT5 O ATOM 53156 H1 TIP3 2080 19.810 18.490 36.443 1.00 0.00 WT5 H ATOM 53157 H2 TIP3 2080 21.212 18.581 37.008 1.00 0.00 WT5 H ATOM 53158 OH2 TIP3 2083 88.879 90.765 18.988 1.00 0.00 WT5 O ATOM 53159 H1 TIP3 2083 89.776 91.071 19.123 1.00 0.00 WT5 H ATOM 53160 H2 TIP3 2083 88.360 91.567 18.921 1.00 0.00 WT5 H ATOM 53161 OH2 TIP3 2085 47.262 19.279 51.596 1.00 0.00 WT5 O ATOM 53162 H1 TIP3 2085 46.407 19.627 51.344 1.00 0.00 WT5 H ATOM 53163 H2 TIP3 2085 47.557 18.789 50.829 1.00 0.00 WT5 H ATOM 53164 OH2 TIP3 2108 53.460 43.874 46.281 1.00 0.00 WT5 O ATOM 53165 H1 TIP3 2108 52.982 43.241 45.747 1.00 0.00 WT5 H ATOM 53166 H2 TIP3 2108 54.051 44.309 45.667 1.00 0.00 WT5 H ATOM 53167 OH2 TIP3 2127 61.740 94.898 -3.097 1.00 0.00 WT5 O ATOM 53168 H1 TIP3 2127 62.229 94.076 -3.110 1.00 0.00 WT5 H ATOM 53169 H2 TIP3 2127 60.919 94.683 -2.654 1.00 0.00 WT5 H ATOM 53170 OH2 TIP3 2132 60.226 35.353 41.970 1.00 0.00 WT5 O ATOM 53171 H1 TIP3 2132 59.798 36.082 41.521 1.00 0.00 WT5 H ATOM 53172 H2 TIP3 2132 60.846 35.007 41.328 1.00 0.00 WT5 H ATOM 53173 OH2 TIP3 2150 45.624 40.034 20.085 1.00 0.00 WT5 O ATOM 53174 H1 TIP3 2150 46.304 39.383 19.913 1.00 0.00 WT5 H ATOM 53175 H2 TIP3 2150 46.078 40.875 20.030 1.00 0.00 WT5 H ATOM 53176 OH2 TIP3 2156 46.964 63.705 51.430 1.00 0.00 WT5 O ATOM 53177 H1 TIP3 2156 47.896 63.914 51.361 1.00 0.00 WT5 H ATOM 53178 H2 TIP3 2156 46.762 63.238 50.619 1.00 0.00 WT5 H ATOM 53179 OH2 TIP3 2160 60.308 76.610 33.173 1.00 0.00 WT5 O ATOM 53180 H1 TIP3 2160 60.550 75.919 33.790 1.00 0.00 WT5 H ATOM 53181 H2 TIP3 2160 59.418 76.386 32.901 1.00 0.00 WT5 H ATOM 53182 OH2 TIP3 2171 52.025 86.210 10.639 1.00 0.00 WT5 O ATOM 53183 H1 TIP3 2171 52.478 85.792 11.370 1.00 0.00 WT5 H ATOM 53184 H2 TIP3 2171 52.186 85.631 9.894 1.00 0.00 WT5 H ATOM 53185 OH2 TIP3 2173 45.960 45.454 32.572 1.00 0.00 WT5 O ATOM 53186 H1 TIP3 2173 46.039 44.838 33.300 1.00 0.00 WT5 H ATOM 53187 H2 TIP3 2173 46.195 44.941 31.798 1.00 0.00 WT5 H ATOM 53188 OH2 TIP3 2179 70.957 50.953 40.846 1.00 0.00 WT5 O ATOM 53189 H1 TIP3 2179 70.426 50.541 40.164 1.00 0.00 WT5 H ATOM 53190 H2 TIP3 2179 70.407 51.660 41.183 1.00 0.00 WT5 H ATOM 53191 OH2 TIP3 2183 68.482 82.354 51.113 1.00 0.00 WT5 O ATOM 53192 H1 TIP3 2183 68.553 81.444 50.825 1.00 0.00 WT5 H ATOM 53193 H2 TIP3 2183 68.903 82.367 51.973 1.00 0.00 WT5 H ATOM 53194 OH2 TIP3 2190 60.600 55.731 0.451 1.00 0.00 WT5 O ATOM 53195 H1 TIP3 2190 61.284 55.097 0.665 1.00 0.00 WT5 H ATOM 53196 H2 TIP3 2190 59.815 55.391 0.880 1.00 0.00 WT5 H ATOM 53197 OH2 TIP3 2231 30.509 75.686 -2.674 1.00 0.00 WT5 O ATOM 53198 H1 TIP3 2231 30.756 75.194 -1.891 1.00 0.00 WT5 H ATOM 53199 H2 TIP3 2231 30.851 75.168 -3.402 1.00 0.00 WT5 H ATOM 53200 OH2 TIP3 2236 28.763 23.183 24.630 1.00 0.00 WT5 O ATOM 53201 H1 TIP3 2236 29.687 23.423 24.562 1.00 0.00 WT5 H ATOM 53202 H2 TIP3 2236 28.618 22.578 23.902 1.00 0.00 WT5 H ATOM 53203 OH2 TIP3 2268 85.652 48.725 -17.906 1.00 0.00 WT5 O ATOM 53204 H1 TIP3 2268 86.028 47.942 -17.503 1.00 0.00 WT5 H ATOM 53205 H2 TIP3 2268 86.165 49.449 -17.548 1.00 0.00 WT5 H ATOM 53206 OH2 TIP3 2270 86.723 96.342 -20.043 1.00 0.00 WT5 O ATOM 53207 H1 TIP3 2270 86.863 95.715 -19.333 1.00 0.00 WT5 H ATOM 53208 H2 TIP3 2270 85.850 96.135 -20.378 1.00 0.00 WT5 H ATOM 53209 OH2 TIP3 2282 30.363 75.053 47.236 1.00 0.00 WT5 O ATOM 53210 H1 TIP3 2282 30.455 74.336 46.608 1.00 0.00 WT5 H ATOM 53211 H2 TIP3 2282 29.448 75.323 47.158 1.00 0.00 WT5 H ATOM 53212 OH2 TIP3 2288 84.978 77.116 20.234 1.00 0.00 WT5 O ATOM 53213 H1 TIP3 2288 84.877 77.227 21.180 1.00 0.00 WT5 H ATOM 53214 H2 TIP3 2288 84.114 77.319 19.876 1.00 0.00 WT5 H ATOM 53215 OH2 TIP3 2290 64.946 23.455 20.282 1.00 0.00 WT5 O ATOM 53216 H1 TIP3 2290 64.122 22.996 20.120 1.00 0.00 WT5 H ATOM 53217 H2 TIP3 2290 65.403 22.909 20.921 1.00 0.00 WT5 H ATOM 53218 OH2 TIP3 2293 83.172 2.788 58.089 1.00 0.00 WT5 O ATOM 53219 H1 TIP3 2293 82.837 2.707 58.982 1.00 0.00 WT5 H ATOM 53220 H2 TIP3 2293 84.087 3.048 58.199 1.00 0.00 WT5 H ATOM 53221 OH2 TIP3 2317 32.896 51.487 -17.289 1.00 0.00 WT5 O ATOM 53222 H1 TIP3 2317 33.091 50.597 -16.994 1.00 0.00 WT5 H ATOM 53223 H2 TIP3 2317 33.366 52.052 -16.675 1.00 0.00 WT5 H ATOM 53224 OH2 TIP3 2323 34.233 30.247 -17.318 1.00 0.00 WT5 O ATOM 53225 H1 TIP3 2323 34.123 31.197 -17.275 1.00 0.00 WT5 H ATOM 53226 H2 TIP3 2323 34.398 30.066 -18.243 1.00 0.00 WT5 H ATOM 53227 OH2 TIP3 2324 31.487 47.802 61.436 1.00 0.00 WT5 O ATOM 53228 H1 TIP3 2324 32.043 47.549 62.173 1.00 0.00 WT5 H ATOM 53229 H2 TIP3 2324 31.858 48.628 61.127 1.00 0.00 WT5 H ATOM 53230 OH2 TIP3 2327 34.299 9.083 34.040 1.00 0.00 WT5 O ATOM 53231 H1 TIP3 2327 34.674 8.617 33.293 1.00 0.00 WT5 H ATOM 53232 H2 TIP3 2327 33.994 9.914 33.677 1.00 0.00 WT5 H ATOM 53233 OH2 TIP3 2357 73.505 90.282 -7.905 1.00 0.00 WT5 O ATOM 53234 H1 TIP3 2357 73.775 91.134 -7.563 1.00 0.00 WT5 H ATOM 53235 H2 TIP3 2357 72.640 90.134 -7.524 1.00 0.00 WT5 H ATOM 53236 OH2 TIP3 2358 67.845 13.933 -1.162 1.00 0.00 WT5 O ATOM 53237 H1 TIP3 2358 67.659 13.798 -2.091 1.00 0.00 WT5 H ATOM 53238 H2 TIP3 2358 67.166 14.540 -0.867 1.00 0.00 WT5 H ATOM 53239 OH2 TIP3 2372 31.112 1.153 36.516 1.00 0.00 WT5 O ATOM 53240 H1 TIP3 2372 31.203 1.877 35.897 1.00 0.00 WT5 H ATOM 53241 H2 TIP3 2372 31.108 1.573 37.376 1.00 0.00 WT5 H ATOM 53242 OH2 TIP3 2408 59.751 46.663 33.432 1.00 0.00 WT5 O ATOM 53243 H1 TIP3 2408 60.189 47.227 32.795 1.00 0.00 WT5 H ATOM 53244 H2 TIP3 2408 58.855 46.582 33.105 1.00 0.00 WT5 H ATOM 53245 OH2 TIP3 2410 32.262 27.704 10.167 1.00 0.00 WT5 O ATOM 53246 H1 TIP3 2410 33.011 27.969 9.634 1.00 0.00 WT5 H ATOM 53247 H2 TIP3 2410 31.610 27.404 9.534 1.00 0.00 WT5 H ATOM 53248 OH2 TIP3 2411 77.075 8.978 -0.299 1.00 0.00 WT5 O ATOM 53249 H1 TIP3 2411 76.641 8.133 -0.176 1.00 0.00 WT5 H ATOM 53250 H2 TIP3 2411 77.909 8.889 0.164 1.00 0.00 WT5 H ATOM 53251 OH2 TIP3 2462 54.857 35.519 60.935 1.00 0.00 WT5 O ATOM 53252 H1 TIP3 2462 54.500 36.405 60.987 1.00 0.00 WT5 H ATOM 53253 H2 TIP3 2462 55.804 35.644 60.874 1.00 0.00 WT5 H ATOM 53254 OH2 TIP3 2468 40.058 46.857 2.492 1.00 0.00 WT5 O ATOM 53255 H1 TIP3 2468 39.930 46.037 2.016 1.00 0.00 WT5 H ATOM 53256 H2 TIP3 2468 40.092 46.597 3.413 1.00 0.00 WT5 H ATOM 53257 OH2 TIP3 2471 68.499 12.914 12.253 1.00 0.00 WT5 O ATOM 53258 H1 TIP3 2471 69.203 12.269 12.188 1.00 0.00 WT5 H ATOM 53259 H2 TIP3 2471 68.711 13.570 11.589 1.00 0.00 WT5 H ATOM 53260 OH2 TIP3 2474 64.454 91.327 29.897 1.00 0.00 WT5 O ATOM 53261 H1 TIP3 2474 64.177 90.455 29.617 1.00 0.00 WT5 H ATOM 53262 H2 TIP3 2474 63.687 91.881 29.751 1.00 0.00 WT5 H ATOM 53263 OH2 TIP3 2500 63.141 55.911 -19.584 1.00 0.00 WT5 O ATOM 53264 H1 TIP3 2500 63.058 55.720 -20.518 1.00 0.00 WT5 H ATOM 53265 H2 TIP3 2500 62.243 55.885 -19.253 1.00 0.00 WT5 H ATOM 53266 OH2 TIP3 2521 90.159 92.547 -7.103 1.00 0.00 WT5 O ATOM 53267 H1 TIP3 2521 90.588 93.363 -7.360 1.00 0.00 WT5 H ATOM 53268 H2 TIP3 2521 89.770 92.216 -7.913 1.00 0.00 WT5 H ATOM 53269 OH2 TIP3 2524 77.173 69.453 4.583 1.00 0.00 WT5 O ATOM 53270 H1 TIP3 2524 77.720 68.764 4.960 1.00 0.00 WT5 H ATOM 53271 H2 TIP3 2524 76.359 69.413 5.084 1.00 0.00 WT5 H ATOM 53272 OH2 TIP3 2525 38.812 63.252 -17.782 1.00 0.00 WT5 O ATOM 53273 H1 TIP3 2525 39.324 62.537 -17.404 1.00 0.00 WT5 H ATOM 53274 H2 TIP3 2525 38.550 62.929 -18.645 1.00 0.00 WT5 H ATOM 53275 OH2 TIP3 2542 46.935 52.642 55.575 1.00 0.00 WT5 O ATOM 53276 H1 TIP3 2542 46.991 51.689 55.504 1.00 0.00 WT5 H ATOM 53277 H2 TIP3 2542 46.723 52.803 56.494 1.00 0.00 WT5 H ATOM 53278 OH2 TIP3 2559 70.882 52.864 13.554 1.00 0.00 WT5 O ATOM 53279 H1 TIP3 2559 71.408 52.500 14.265 1.00 0.00 WT5 H ATOM 53280 H2 TIP3 2559 70.095 53.199 13.984 1.00 0.00 WT5 H ATOM 53281 OH2 TIP3 2560 73.414 66.394 38.766 1.00 0.00 WT5 O ATOM 53282 H1 TIP3 2560 73.430 67.171 39.325 1.00 0.00 WT5 H ATOM 53283 H2 TIP3 2560 72.815 66.622 38.055 1.00 0.00 WT5 H ATOM 53284 OH2 TIP3 2568 39.252 33.287 35.160 1.00 0.00 WT5 O ATOM 53285 H1 TIP3 2568 40.098 32.894 34.945 1.00 0.00 WT5 H ATOM 53286 H2 TIP3 2568 38.974 33.716 34.350 1.00 0.00 WT5 H ATOM 53287 OH2 TIP3 2570 56.229 91.435 15.180 1.00 0.00 WT5 O ATOM 53288 H1 TIP3 2570 55.531 92.052 14.963 1.00 0.00 WT5 H ATOM 53289 H2 TIP3 2570 56.918 91.978 15.563 1.00 0.00 WT5 H ATOM 53290 OH2 TIP3 2603 38.521 82.586 -17.812 1.00 0.00 WT5 O ATOM 53291 H1 TIP3 2603 38.507 81.668 -18.084 1.00 0.00 WT5 H ATOM 53292 H2 TIP3 2603 39.246 82.641 -17.190 1.00 0.00 WT5 H ATOM 53293 OH2 TIP3 2629 49.220 10.061 17.370 1.00 0.00 WT5 O ATOM 53294 H1 TIP3 2629 48.592 10.732 17.635 1.00 0.00 WT5 H ATOM 53295 H2 TIP3 2629 49.699 10.455 16.641 1.00 0.00 WT5 H ATOM 53296 OH2 TIP3 2644 24.516 31.036 0.289 1.00 0.00 WT5 O ATOM 53297 H1 TIP3 2644 25.393 31.361 0.086 1.00 0.00 WT5 H ATOM 53298 H2 TIP3 2644 24.605 30.627 1.150 1.00 0.00 WT5 H ATOM 53299 OH2 TIP3 2705 48.413 87.974 34.573 1.00 0.00 WT5 O ATOM 53300 H1 TIP3 2705 48.143 87.128 34.217 1.00 0.00 WT5 H ATOM 53301 H2 TIP3 2705 49.360 87.897 34.683 1.00 0.00 WT5 H ATOM 53302 OH2 TIP3 2714 20.599 2.355 7.515 1.00 0.00 WT5 O ATOM 53303 H1 TIP3 2714 21.066 2.678 8.286 1.00 0.00 WT5 H ATOM 53304 H2 TIP3 2714 20.078 3.102 7.220 1.00 0.00 WT5 H ATOM 53305 OH2 TIP3 2759 85.809 26.509 31.031 1.00 0.00 WT5 O ATOM 53306 H1 TIP3 2759 85.813 26.970 31.870 1.00 0.00 WT5 H ATOM 53307 H2 TIP3 2759 86.710 26.576 30.716 1.00 0.00 WT5 H ATOM 53308 OH2 TIP3 2780 62.250 21.787 -16.518 1.00 0.00 WT5 O ATOM 53309 H1 TIP3 2780 62.350 20.874 -16.250 1.00 0.00 WT5 H ATOM 53310 H2 TIP3 2780 62.484 21.792 -17.446 1.00 0.00 WT5 H ATOM 53311 OH2 TIP3 2781 52.283 20.682 63.520 1.00 0.00 WT5 O ATOM 53312 H1 TIP3 2781 52.068 20.215 62.713 1.00 0.00 WT5 H ATOM 53313 H2 TIP3 2781 52.093 21.599 63.325 1.00 0.00 WT5 H ATOM 53314 OH2 TIP3 2802 72.103 57.481 45.292 1.00 0.00 WT5 O ATOM 53315 H1 TIP3 2802 71.453 56.961 44.819 1.00 0.00 WT5 H ATOM 53316 H2 TIP3 2802 72.838 57.557 44.684 1.00 0.00 WT5 H ATOM 53317 OH2 TIP3 2855 61.726 19.734 29.518 1.00 0.00 WT5 O ATOM 53318 H1 TIP3 2855 62.461 19.233 29.872 1.00 0.00 WT5 H ATOM 53319 H2 TIP3 2855 61.960 20.649 29.679 1.00 0.00 WT5 H ATOM 53320 OH2 TIP3 2872 30.350 69.389 29.930 1.00 0.00 WT5 O ATOM 53321 H1 TIP3 2872 30.698 70.137 29.444 1.00 0.00 WT5 H ATOM 53322 H2 TIP3 2872 30.416 68.654 29.320 1.00 0.00 WT5 H ATOM 53323 OH2 TIP3 2894 66.687 47.958 -11.377 1.00 0.00 WT5 O ATOM 53324 H1 TIP3 2894 67.604 47.927 -11.105 1.00 0.00 WT5 H ATOM 53325 H2 TIP3 2894 66.209 47.552 -10.653 1.00 0.00 WT5 H ATOM 53326 OH2 TIP3 2895 85.426 72.108 -5.474 1.00 0.00 WT5 O ATOM 53327 H1 TIP3 2895 85.619 71.209 -5.207 1.00 0.00 WT5 H ATOM 53328 H2 TIP3 2895 86.230 72.592 -5.284 1.00 0.00 WT5 H ATOM 53329 OH2 TIP3 2906 76.918 68.093 22.744 1.00 0.00 WT5 O ATOM 53330 H1 TIP3 2906 76.719 67.190 22.991 1.00 0.00 WT5 H ATOM 53331 H2 TIP3 2906 76.164 68.597 23.050 1.00 0.00 WT5 H ATOM 53332 OH2 TIP3 2980 79.933 74.230 34.891 1.00 0.00 WT5 O ATOM 53333 H1 TIP3 2980 79.496 73.760 34.182 1.00 0.00 WT5 H ATOM 53334 H2 TIP3 2980 79.881 75.151 34.637 1.00 0.00 WT5 H ATOM 53335 OH2 TIP3 3029 53.410 27.673 18.626 1.00 0.00 WT5 O ATOM 53336 H1 TIP3 3029 52.480 27.899 18.644 1.00 0.00 WT5 H ATOM 53337 H2 TIP3 3029 53.863 28.508 18.743 1.00 0.00 WT5 H ATOM 53338 OH2 TIP3 3063 33.524 30.003 24.374 1.00 0.00 WT5 O ATOM 53339 H1 TIP3 3063 33.549 29.064 24.189 1.00 0.00 WT5 H ATOM 53340 H2 TIP3 3063 34.045 30.105 25.170 1.00 0.00 WT5 H ATOM 53341 OH2 TIP3 3287 90.299 19.157 -2.129 1.00 0.00 WT5 O ATOM 53342 H1 TIP3 3287 89.470 19.133 -1.650 1.00 0.00 WT5 H ATOM 53343 H2 TIP3 3287 90.512 20.088 -2.193 1.00 0.00 WT5 H ATOM 53344 OH2 TIP3 3294 24.948 81.674 -0.433 1.00 0.00 WT5 O ATOM 53345 H1 TIP3 3294 25.075 81.746 -1.379 1.00 0.00 WT5 H ATOM 53346 H2 TIP3 3294 25.718 81.198 -0.122 1.00 0.00 WT5 H ATOM 53347 OH2 TIP3 3521 83.809 81.791 -13.610 1.00 0.00 WT5 O ATOM 53348 H1 TIP3 3521 83.129 81.123 -13.701 1.00 0.00 WT5 H ATOM 53349 H2 TIP3 3521 84.407 81.436 -12.952 1.00 0.00 WT5 H ATOM 53350 OH2 TIP3 3665 82.732 10.438 35.778 1.00 0.00 WT5 O ATOM 53351 H1 TIP3 3665 82.019 9.803 35.847 1.00 0.00 WT5 H ATOM 53352 H2 TIP3 3665 83.371 10.019 35.202 1.00 0.00 WT5 H ATOM 53353 OH2 TIP3 3877 40.084 50.820 53.038 1.00 0.00 WT5 O ATOM 53354 H1 TIP3 3877 39.139 50.961 52.975 1.00 0.00 WT5 H ATOM 53355 H2 TIP3 3877 40.410 51.588 53.508 1.00 0.00 WT5 H ATOM 53356 OH2 TIP3 5421 89.006 32.704 29.152 1.00 0.00 WT5 O ATOM 53357 H1 TIP3 5421 88.202 32.843 28.651 1.00 0.00 WT5 H ATOM 53358 H2 TIP3 5421 89.593 33.401 28.861 1.00 0.00 WT5 H ATOM 53359 OH2 TIP3 6240 35.397 67.587 56.797 1.00 0.00 WT5 O ATOM 53360 H1 TIP3 6240 34.506 67.464 57.125 1.00 0.00 WT5 H ATOM 53361 H2 TIP3 6240 35.464 66.986 56.054 1.00 0.00 WT5 H ATOM 53362 OH2 TIP3 6350 76.358 78.984 11.403 1.00 0.00 WT5 O ATOM 53363 H1 TIP3 6350 76.030 79.615 10.762 1.00 0.00 WT5 H ATOM 53364 H2 TIP3 6350 76.056 79.320 12.247 1.00 0.00 WT5 H ATOM 53365 OH2 TIP3 6479 78.100 46.712 8.990 1.00 0.00 WT5 O ATOM 53366 H1 TIP3 6479 77.451 46.148 9.409 1.00 0.00 WT5 H ATOM 53367 H2 TIP3 6479 78.750 46.879 9.673 1.00 0.00 WT5 H ATOM 53368 OH2 TIP3 6628 37.736 20.997 27.481 1.00 0.00 WT5 O ATOM 53369 H1 TIP3 6628 37.138 21.560 27.972 1.00 0.00 WT5 H ATOM 53370 H2 TIP3 6628 38.336 21.604 27.048 1.00 0.00 WT5 H ATOM 53371 OH2 TIP3 6650 83.191 1.498 -3.342 1.00 0.00 WT5 O ATOM 53372 H1 TIP3 6650 84.069 1.645 -2.989 1.00 0.00 WT5 H ATOM 53373 H2 TIP3 6650 82.621 2.046 -2.803 1.00 0.00 WT5 H ATOM 53374 OH2 TIP3 6671 28.002 78.368 6.396 1.00 0.00 WT5 O ATOM 53375 H1 TIP3 6671 28.834 77.901 6.473 1.00 0.00 WT5 H ATOM 53376 H2 TIP3 6671 28.137 79.180 6.885 1.00 0.00 WT5 H ATOM 53377 OH2 TIP3 6751 88.414 72.437 -7.059 1.00 0.00 WT5 O ATOM 53378 H1 TIP3 6751 87.592 72.719 -7.459 1.00 0.00 WT5 H ATOM 53379 H2 TIP3 6751 88.225 72.402 -6.121 1.00 0.00 WT5 H ATOM 53380 OH2 TIP3 6773 65.425 39.448 -8.378 1.00 0.00 WT5 O ATOM 53381 H1 TIP3 6773 65.060 38.576 -8.523 1.00 0.00 WT5 H ATOM 53382 H2 TIP3 6773 64.975 40.006 -9.013 1.00 0.00 WT5 H ATOM 53383 OH2 TIP3 6964 57.022 64.282 64.853 1.00 0.00 WT5 O ATOM 53384 H1 TIP3 6964 57.535 63.627 65.326 1.00 0.00 WT5 H ATOM 53385 H2 TIP3 6964 56.572 63.787 64.169 1.00 0.00 WT5 H ATOM 53386 OH2 TIP3 6980 80.445 75.599 7.820 1.00 0.00 WT5 O ATOM 53387 H1 TIP3 6980 80.147 74.884 8.382 1.00 0.00 WT5 H ATOM 53388 H2 TIP3 6980 81.183 75.232 7.334 1.00 0.00 WT5 H ATOM 53389 OH2 TIP3 7027 69.692 52.628 58.214 1.00 0.00 WT5 O ATOM 53390 H1 TIP3 7027 69.060 53.345 58.165 1.00 0.00 WT5 H ATOM 53391 H2 TIP3 7027 70.546 53.060 58.217 1.00 0.00 WT5 H ATOM 53392 OH2 TIP3 7133 61.108 26.127 46.275 1.00 0.00 WT5 O ATOM 53393 H1 TIP3 7133 61.018 26.045 45.326 1.00 0.00 WT5 H ATOM 53394 H2 TIP3 7133 60.536 25.447 46.631 1.00 0.00 WT5 H ATOM 53395 OH2 TIP3 7165 76.356 18.356 40.555 1.00 0.00 WT5 O ATOM 53396 H1 TIP3 7165 75.759 19.044 40.261 1.00 0.00 WT5 H ATOM 53397 H2 TIP3 7165 77.229 18.690 40.350 1.00 0.00 WT5 H ATOM 53398 OH2 TIP3 7290 55.103 90.706 5.869 1.00 0.00 WT5 O ATOM 53399 H1 TIP3 7290 55.748 90.409 5.227 1.00 0.00 WT5 H ATOM 53400 H2 TIP3 7290 55.505 91.474 6.276 1.00 0.00 WT5 H ATOM 53401 OH2 TIP3 7295 86.416 91.798 -5.315 1.00 0.00 WT5 O ATOM 53402 H1 TIP3 7295 86.753 92.641 -5.011 1.00 0.00 WT5 H ATOM 53403 H2 TIP3 7295 87.140 91.416 -5.812 1.00 0.00 WT5 H ATOM 53404 OH2 TIP3 7308 80.691 96.433 45.124 1.00 0.00 WT5 O ATOM 53405 H1 TIP3 7308 80.411 96.738 44.261 1.00 0.00 WT5 H ATOM 53406 H2 TIP3 7308 79.994 95.840 45.406 1.00 0.00 WT5 H ATOM 53407 OH2 TIP3 7427 88.148 96.895 53.465 1.00 0.00 WT5 O ATOM 53408 H1 TIP3 7427 88.260 97.127 54.387 1.00 0.00 WT5 H ATOM 53409 H2 TIP3 7427 87.991 95.951 53.472 1.00 0.00 WT5 H ATOM 53410 OH2 TIP3 7532 31.479 27.483 60.860 1.00 0.00 WT5 O ATOM 53411 H1 TIP3 7532 31.603 27.160 61.753 1.00 0.00 WT5 H ATOM 53412 H2 TIP3 7532 32.342 27.401 60.453 1.00 0.00 WT5 H ATOM 53413 OH2 TIP3 7533 21.330 38.987 33.018 1.00 0.00 WT5 O ATOM 53414 H1 TIP3 7533 22.218 39.311 32.865 1.00 0.00 WT5 H ATOM 53415 H2 TIP3 7533 21.452 38.087 33.321 1.00 0.00 WT5 H ATOM 53416 OH2 TIP3 7537 38.508 11.998 39.358 1.00 0.00 WT5 O ATOM 53417 H1 TIP3 7537 38.201 12.067 38.454 1.00 0.00 WT5 H ATOM 53418 H2 TIP3 7537 39.410 12.318 39.331 1.00 0.00 WT5 H ATOM 53419 OH2 TIP3 7563 29.742 87.050 48.994 1.00 0.00 WT5 O ATOM 53420 H1 TIP3 7563 29.217 87.796 48.703 1.00 0.00 WT5 H ATOM 53421 H2 TIP3 7563 29.137 86.308 48.974 1.00 0.00 WT5 H ATOM 53422 OH2 TIP3 7568 22.878 4.218 43.792 1.00 0.00 WT5 O ATOM 53423 H1 TIP3 7568 23.316 4.956 43.368 1.00 0.00 WT5 H ATOM 53424 H2 TIP3 7568 23.566 3.562 43.904 1.00 0.00 WT5 H ATOM 53425 OH2 TIP3 7576 82.161 87.857 36.054 1.00 0.00 WT5 O ATOM 53426 H1 TIP3 7576 82.039 87.363 35.243 1.00 0.00 WT5 H ATOM 53427 H2 TIP3 7576 81.380 88.407 36.119 1.00 0.00 WT5 H ATOM 53428 OH2 TIP3 7583 58.164 89.006 2.235 1.00 0.00 WT5 O ATOM 53429 H1 TIP3 7583 58.428 89.134 1.324 1.00 0.00 WT5 H ATOM 53430 H2 TIP3 7583 57.330 88.539 2.179 1.00 0.00 WT5 H ATOM 53431 OH2 TIP3 7592 25.176 42.866 14.033 1.00 0.00 WT5 O ATOM 53432 H1 TIP3 7592 25.420 43.640 14.540 1.00 0.00 WT5 H ATOM 53433 H2 TIP3 7592 25.949 42.673 13.502 1.00 0.00 WT5 H ATOM 53434 OH2 TIP3 7603 65.181 63.855 46.092 1.00 0.00 WT5 O ATOM 53435 H1 TIP3 7603 64.500 63.419 45.581 1.00 0.00 WT5 H ATOM 53436 H2 TIP3 7603 65.409 63.226 46.776 1.00 0.00 WT5 H ATOM 53437 OH2 TIP3 7607 48.154 37.054 45.619 1.00 0.00 WT5 O ATOM 53438 H1 TIP3 7607 49.073 37.308 45.707 1.00 0.00 WT5 H ATOM 53439 H2 TIP3 7607 47.960 36.572 46.423 1.00 0.00 WT5 H ATOM 53440 OH2 TIP3 7630 37.988 7.567 2.649 1.00 0.00 WT5 O ATOM 53441 H1 TIP3 7630 38.223 7.068 3.432 1.00 0.00 WT5 H ATOM 53442 H2 TIP3 7630 38.735 7.456 2.061 1.00 0.00 WT5 H ATOM 53443 OH2 TIP3 7631 90.216 34.509 2.679 1.00 0.00 WT5 O ATOM 53444 H1 TIP3 7631 89.426 34.326 3.189 1.00 0.00 WT5 H ATOM 53445 H2 TIP3 7631 90.921 34.087 3.170 1.00 0.00 WT5 H ATOM 53446 OH2 TIP3 7634 20.427 46.190 23.421 1.00 0.00 WT5 O ATOM 53447 H1 TIP3 7634 21.191 46.531 22.955 1.00 0.00 WT5 H ATOM 53448 H2 TIP3 7634 19.696 46.334 22.820 1.00 0.00 WT5 H ATOM 53449 OH2 TIP3 7642 80.071 34.307 49.693 1.00 0.00 WT5 O ATOM 53450 H1 TIP3 7642 80.811 34.895 49.846 1.00 0.00 WT5 H ATOM 53451 H2 TIP3 7642 79.634 34.669 48.922 1.00 0.00 WT5 H ATOM 53452 OH2 TIP3 7647 55.488 11.083 3.781 1.00 0.00 WT5 O ATOM 53453 H1 TIP3 7647 54.634 11.006 4.206 1.00 0.00 WT5 H ATOM 53454 H2 TIP3 7647 55.778 10.178 3.660 1.00 0.00 WT5 H ATOM 53455 OH2 TIP3 7650 38.318 35.633 21.876 1.00 0.00 WT5 O ATOM 53456 H1 TIP3 7650 38.774 36.381 21.492 1.00 0.00 WT5 H ATOM 53457 H2 TIP3 7650 38.611 35.614 22.787 1.00 0.00 WT5 H ATOM 53458 OH2 TIP3 7661 74.358 24.718 42.076 1.00 0.00 WT5 O ATOM 53459 H1 TIP3 7661 74.171 25.308 41.346 1.00 0.00 WT5 H ATOM 53460 H2 TIP3 7661 73.652 24.073 42.051 1.00 0.00 WT5 H ATOM 53461 OH2 TIP3 7707 68.166 15.260 -18.331 1.00 0.00 WT5 O ATOM 53462 H1 TIP3 7707 68.707 16.015 -18.561 1.00 0.00 WT5 H ATOM 53463 H2 TIP3 7707 67.771 14.987 -19.159 1.00 0.00 WT5 H ATOM 53464 OH2 TIP3 7715 26.751 50.386 57.442 1.00 0.00 WT5 O ATOM 53465 H1 TIP3 7715 26.738 50.394 58.399 1.00 0.00 WT5 H ATOM 53466 H2 TIP3 7715 25.855 50.608 57.187 1.00 0.00 WT5 H ATOM 53467 OH2 TIP3 7739 67.656 36.374 53.648 1.00 0.00 WT5 O ATOM 53468 H1 TIP3 7739 66.730 36.339 53.410 1.00 0.00 WT5 H ATOM 53469 H2 TIP3 7739 68.113 36.487 52.814 1.00 0.00 WT5 H ATOM 53470 OH2 TIP3 7748 22.754 1.144 37.038 1.00 0.00 WT5 O ATOM 53471 H1 TIP3 7748 22.375 1.478 36.225 1.00 0.00 WT5 H ATOM 53472 H2 TIP3 7748 23.432 0.532 36.752 1.00 0.00 WT5 H ATOM 53473 OH2 TIP3 7784 30.207 29.071 38.213 1.00 0.00 WT5 O ATOM 53474 H1 TIP3 7784 29.277 29.266 38.097 1.00 0.00 WT5 H ATOM 53475 H2 TIP3 7784 30.477 29.621 38.948 1.00 0.00 WT5 H ATOM 53476 OH2 TIP3 7833 33.506 64.395 38.881 1.00 0.00 WT5 O ATOM 53477 H1 TIP3 7833 34.329 64.864 38.743 1.00 0.00 WT5 H ATOM 53478 H2 TIP3 7833 33.229 64.132 38.003 1.00 0.00 WT5 H ATOM 53479 OH2 TIP3 7846 39.704 55.630 11.851 1.00 0.00 WT5 O ATOM 53480 H1 TIP3 7846 39.738 56.537 12.154 1.00 0.00 WT5 H ATOM 53481 H2 TIP3 7846 39.540 55.118 12.643 1.00 0.00 WT5 H ATOM 53482 OH2 TIP3 7925 80.308 53.907 -3.380 1.00 0.00 WT5 O ATOM 53483 H1 TIP3 7925 80.760 53.221 -2.887 1.00 0.00 WT5 H ATOM 53484 H2 TIP3 7925 81.007 54.372 -3.840 1.00 0.00 WT5 H ATOM 53485 OH2 TIP3 7944 83.761 27.392 12.956 1.00 0.00 WT5 O ATOM 53486 H1 TIP3 7944 82.993 27.936 12.782 1.00 0.00 WT5 H ATOM 53487 H2 TIP3 7944 84.359 27.583 12.233 1.00 0.00 WT5 H ATOM 53488 OH2 TIP3 7951 45.631 72.593 12.962 1.00 0.00 WT5 O ATOM 53489 H1 TIP3 7951 46.039 73.028 12.213 1.00 0.00 WT5 H ATOM 53490 H2 TIP3 7951 45.613 71.667 12.721 1.00 0.00 WT5 H ATOM 53491 OH2 TIP3 7959 45.501 84.945 61.335 1.00 0.00 WT5 O ATOM 53492 H1 TIP3 7959 45.644 84.229 60.716 1.00 0.00 WT5 H ATOM 53493 H2 TIP3 7959 46.360 85.357 61.429 1.00 0.00 WT5 H ATOM 53494 OH2 TIP3 7978 20.408 76.813 37.755 1.00 0.00 WT5 O ATOM 53495 H1 TIP3 7978 20.003 76.030 37.382 1.00 0.00 WT5 H ATOM 53496 H2 TIP3 7978 21.038 76.477 38.392 1.00 0.00 WT5 H ATOM 53497 OH2 TIP3 7979 70.067 45.186 18.461 1.00 0.00 WT5 O ATOM 53498 H1 TIP3 7979 69.502 44.636 19.004 1.00 0.00 WT5 H ATOM 53499 H2 TIP3 7979 69.520 45.427 17.713 1.00 0.00 WT5 H ATOM 53500 OH2 TIP3 7985 41.384 71.407 -2.799 1.00 0.00 WT5 O ATOM 53501 H1 TIP3 7985 40.773 71.034 -2.163 1.00 0.00 WT5 H ATOM 53502 H2 TIP3 7985 42.154 70.840 -2.754 1.00 0.00 WT5 H ATOM 53503 OH2 TIP3 7997 32.672 25.909 54.950 1.00 0.00 WT5 O ATOM 53504 H1 TIP3 7997 32.055 26.528 55.340 1.00 0.00 WT5 H ATOM 53505 H2 TIP3 7997 33.384 25.846 55.586 1.00 0.00 WT5 H ATOM 53506 OH2 TIP3 7998 38.322 94.527 51.909 1.00 0.00 WT5 O ATOM 53507 H1 TIP3 7998 39.264 94.371 51.836 1.00 0.00 WT5 H ATOM 53508 H2 TIP3 7998 38.244 95.473 52.033 1.00 0.00 WT5 H ATOM 53509 OH2 TIP3 8000 20.124 33.496 33.225 1.00 0.00 WT5 O ATOM 53510 H1 TIP3 8000 20.268 34.366 33.598 1.00 0.00 WT5 H ATOM 53511 H2 TIP3 8000 20.854 33.370 32.619 1.00 0.00 WT5 H ATOM 53512 OH2 TIP3 8014 66.612 11.663 37.811 1.00 0.00 WT5 O ATOM 53513 H1 TIP3 8014 66.255 11.940 36.967 1.00 0.00 WT5 H ATOM 53514 H2 TIP3 8014 66.274 12.303 38.437 1.00 0.00 WT5 H ATOM 53515 OH2 TIP3 8023 31.780 77.555 56.487 1.00 0.00 WT5 O ATOM 53516 H1 TIP3 8023 31.433 77.822 55.635 1.00 0.00 WT5 H ATOM 53517 H2 TIP3 8023 32.714 77.759 56.441 1.00 0.00 WT5 H ATOM 53518 OH2 TIP3 8024 34.057 71.834 58.960 1.00 0.00 WT5 O ATOM 53519 H1 TIP3 8024 33.203 72.131 58.646 1.00 0.00 WT5 H ATOM 53520 H2 TIP3 8024 34.519 71.552 58.170 1.00 0.00 WT5 H ATOM 53521 OH2 TIP3 8031 82.108 35.560 15.018 1.00 0.00 WT5 O ATOM 53522 H1 TIP3 8031 81.554 35.635 14.241 1.00 0.00 WT5 H ATOM 53523 H2 TIP3 8031 82.162 36.453 15.360 1.00 0.00 WT5 H ATOM 53524 OH2 TIP3 8034 30.870 70.353 7.588 1.00 0.00 WT5 O ATOM 53525 H1 TIP3 8034 31.519 70.912 8.014 1.00 0.00 WT5 H ATOM 53526 H2 TIP3 8034 30.775 69.604 8.176 1.00 0.00 WT5 H ATOM 53527 OH2 TIP3 8046 89.822 62.651 -8.290 1.00 0.00 WT5 O ATOM 53528 H1 TIP3 8046 90.066 63.143 -7.506 1.00 0.00 WT5 H ATOM 53529 H2 TIP3 8046 90.476 62.900 -8.943 1.00 0.00 WT5 H ATOM 53530 OH2 TIP3 8064 57.964 5.085 10.827 1.00 0.00 WT5 O ATOM 53531 H1 TIP3 8064 57.817 5.581 11.633 1.00 0.00 WT5 H ATOM 53532 H2 TIP3 8064 58.106 4.185 11.122 1.00 0.00 WT5 H ATOM 53533 OH2 TIP3 8067 75.505 52.513 26.992 1.00 0.00 WT5 O ATOM 53534 H1 TIP3 8067 75.320 52.801 26.099 1.00 0.00 WT5 H ATOM 53535 H2 TIP3 8067 74.713 52.049 27.263 1.00 0.00 WT5 H ATOM 53536 OH2 TIP3 8068 78.523 25.553 46.741 1.00 0.00 WT5 O ATOM 53537 H1 TIP3 8068 77.665 25.977 46.705 1.00 0.00 WT5 H ATOM 53538 H2 TIP3 8068 78.488 25.007 47.527 1.00 0.00 WT5 H ATOM 53539 OH2 TIP3 8079 35.140 28.705 48.689 1.00 0.00 WT5 O ATOM 53540 H1 TIP3 8079 35.090 28.241 49.525 1.00 0.00 WT5 H ATOM 53541 H2 TIP3 8079 34.803 28.080 48.047 1.00 0.00 WT5 H ATOM 53542 OH2 TIP3 8123 44.172 8.628 64.255 1.00 0.00 WT5 O ATOM 53543 H1 TIP3 8123 44.350 8.482 63.326 1.00 0.00 WT5 H ATOM 53544 H2 TIP3 8123 44.615 7.906 64.701 1.00 0.00 WT5 H ATOM 53545 OH2 TIP3 8133 35.891 57.117 5.534 1.00 0.00 WT5 O ATOM 53546 H1 TIP3 8133 36.502 56.844 6.219 1.00 0.00 WT5 H ATOM 53547 H2 TIP3 8133 35.709 58.036 5.727 1.00 0.00 WT5 H ATOM 53548 OH2 TIP3 8136 83.999 50.670 39.996 1.00 0.00 WT5 O ATOM 53549 H1 TIP3 8136 84.165 50.949 39.095 1.00 0.00 WT5 H ATOM 53550 H2 TIP3 8136 83.109 50.318 39.978 1.00 0.00 WT5 H ATOM 53551 OH2 TIP3 8140 44.936 53.884 34.450 1.00 0.00 WT5 O ATOM 53552 H1 TIP3 8140 44.683 53.136 33.909 1.00 0.00 WT5 H ATOM 53553 H2 TIP3 8140 45.337 53.493 35.227 1.00 0.00 WT5 H ATOM 53554 OH2 TIP3 8141 37.253 70.115 60.017 1.00 0.00 WT5 O ATOM 53555 H1 TIP3 8141 36.728 69.516 60.547 1.00 0.00 WT5 H ATOM 53556 H2 TIP3 8141 38.151 69.796 60.113 1.00 0.00 WT5 H ATOM 53557 OH2 TIP3 8161 79.157 36.509 24.157 1.00 0.00 WT5 O ATOM 53558 H1 TIP3 8161 78.596 37.143 23.711 1.00 0.00 WT5 H ATOM 53559 H2 TIP3 8161 79.810 36.264 23.501 1.00 0.00 WT5 H ATOM 53560 OH2 TIP3 8173 21.200 63.265 -10.109 1.00 0.00 WT5 O ATOM 53561 H1 TIP3 8173 21.685 64.050 -10.364 1.00 0.00 WT5 H ATOM 53562 H2 TIP3 8173 20.859 62.915 -10.932 1.00 0.00 WT5 H ATOM 53563 OH2 TIP3 8174 66.463 45.329 57.016 1.00 0.00 WT5 O ATOM 53564 H1 TIP3 8174 66.706 45.813 57.805 1.00 0.00 WT5 H ATOM 53565 H2 TIP3 8174 65.508 45.271 57.055 1.00 0.00 WT5 H ATOM 53566 OH2 TIP3 8176 44.270 6.757 56.673 1.00 0.00 WT5 O ATOM 53567 H1 TIP3 8176 44.068 5.974 56.161 1.00 0.00 WT5 H ATOM 53568 H2 TIP3 8176 43.814 6.624 57.504 1.00 0.00 WT5 H ATOM 53569 OH2 TIP3 8183 59.278 33.932 -18.289 1.00 0.00 WT5 O ATOM 53570 H1 TIP3 8183 58.831 33.956 -19.135 1.00 0.00 WT5 H ATOM 53571 H2 TIP3 8183 58.578 34.046 -17.646 1.00 0.00 WT5 H ATOM 53572 OH2 TIP3 8191 82.296 34.471 47.132 1.00 0.00 WT5 O ATOM 53573 H1 TIP3 8191 82.242 34.745 48.047 1.00 0.00 WT5 H ATOM 53574 H2 TIP3 8191 82.582 33.558 47.172 1.00 0.00 WT5 H ATOM 53575 OH2 TIP3 8193 54.546 24.163 46.764 1.00 0.00 WT5 O ATOM 53576 H1 TIP3 8193 53.837 23.521 46.797 1.00 0.00 WT5 H ATOM 53577 H2 TIP3 8193 55.343 23.638 46.694 1.00 0.00 WT5 H ATOM 53578 OH2 TIP3 8218 66.052 55.095 22.607 1.00 0.00 WT5 O ATOM 53579 H1 TIP3 8218 65.359 54.447 22.475 1.00 0.00 WT5 H ATOM 53580 H2 TIP3 8218 65.590 55.931 22.669 1.00 0.00 WT5 H ATOM 53581 OH2 TIP3 8222 46.103 37.809 -8.102 1.00 0.00 WT5 O ATOM 53582 H1 TIP3 8222 45.619 38.339 -7.468 1.00 0.00 WT5 H ATOM 53583 H2 TIP3 8222 46.951 37.653 -7.687 1.00 0.00 WT5 H ATOM 53584 OH2 TIP3 8229 55.073 13.902 15.539 1.00 0.00 WT5 O ATOM 53585 H1 TIP3 8229 55.469 14.550 16.122 1.00 0.00 WT5 H ATOM 53586 H2 TIP3 8229 54.206 14.256 15.341 1.00 0.00 WT5 H ATOM 53587 OH2 TIP3 8230 69.083 24.505 39.149 1.00 0.00 WT5 O ATOM 53588 H1 TIP3 8230 69.653 24.239 39.870 1.00 0.00 WT5 H ATOM 53589 H2 TIP3 8230 68.282 24.809 39.575 1.00 0.00 WT5 H ATOM 53590 OH2 TIP3 8260 24.769 94.922 64.461 1.00 0.00 WT5 O ATOM 53591 H1 TIP3 8260 25.362 95.670 64.399 1.00 0.00 WT5 H ATOM 53592 H2 TIP3 8260 25.202 94.321 65.067 1.00 0.00 WT5 H ATOM 53593 OH2 TIP3 8263 84.644 94.286 63.503 1.00 0.00 WT5 O ATOM 53594 H1 TIP3 8263 83.895 93.699 63.401 1.00 0.00 WT5 H ATOM 53595 H2 TIP3 8263 84.491 94.984 62.866 1.00 0.00 WT5 H ATOM 53596 OH2 TIP3 8264 71.838 78.051 19.624 1.00 0.00 WT5 O ATOM 53597 H1 TIP3 8264 72.779 77.931 19.491 1.00 0.00 WT5 H ATOM 53598 H2 TIP3 8264 71.775 78.593 20.411 1.00 0.00 WT5 H ATOM 53599 OH2 TIP3 8265 51.019 5.260 32.144 1.00 0.00 WT5 O ATOM 53600 H1 TIP3 8265 50.525 4.916 31.399 1.00 0.00 WT5 H ATOM 53601 H2 TIP3 8265 50.665 6.138 32.282 1.00 0.00 WT5 H ATOM 53602 OH2 TIP3 8266 87.510 30.769 -17.138 1.00 0.00 WT5 O ATOM 53603 H1 TIP3 8266 88.087 30.039 -17.363 1.00 0.00 WT5 H ATOM 53604 H2 TIP3 8266 87.932 31.536 -17.524 1.00 0.00 WT5 H ATOM 53605 OH2 TIP3 8278 76.090 46.054 62.243 1.00 0.00 WT5 O ATOM 53606 H1 TIP3 8278 76.502 46.912 62.143 1.00 0.00 WT5 H ATOM 53607 H2 TIP3 8278 75.896 45.775 61.348 1.00 0.00 WT5 H ATOM 53608 OH2 TIP3 8290 58.445 27.821 17.549 1.00 0.00 WT5 O ATOM 53609 H1 TIP3 8290 57.624 28.168 17.201 1.00 0.00 WT5 H ATOM 53610 H2 TIP3 8290 58.387 27.965 18.493 1.00 0.00 WT5 H ATOM 53611 OH2 TIP3 8308 77.668 54.354 53.823 1.00 0.00 WT5 O ATOM 53612 H1 TIP3 8308 77.932 53.493 53.498 1.00 0.00 WT5 H ATOM 53613 H2 TIP3 8308 76.720 54.286 53.940 1.00 0.00 WT5 H ATOM 53614 OH2 TIP3 8309 71.593 95.173 46.437 1.00 0.00 WT5 O ATOM 53615 H1 TIP3 8309 71.049 94.641 45.856 1.00 0.00 WT5 H ATOM 53616 H2 TIP3 8309 71.121 95.177 47.270 1.00 0.00 WT5 H ATOM 53617 OH2 TIP3 8328 88.184 84.386 62.559 1.00 0.00 WT5 O ATOM 53618 H1 TIP3 8328 88.956 83.857 62.359 1.00 0.00 WT5 H ATOM 53619 H2 TIP3 8328 87.468 83.948 62.100 1.00 0.00 WT5 H ATOM 53620 OH2 TIP3 8330 67.986 40.343 31.906 1.00 0.00 WT5 O ATOM 53621 H1 TIP3 8330 68.542 40.188 31.143 1.00 0.00 WT5 H ATOM 53622 H2 TIP3 8330 67.207 40.771 31.552 1.00 0.00 WT5 H ATOM 53623 OH2 TIP3 8351 33.143 62.049 18.549 1.00 0.00 WT5 O ATOM 53624 H1 TIP3 8351 33.376 62.004 17.621 1.00 0.00 WT5 H ATOM 53625 H2 TIP3 8351 33.711 61.404 18.970 1.00 0.00 WT5 H ATOM 53626 OH2 TIP3 8352 59.715 2.108 2.446 1.00 0.00 WT5 O ATOM 53627 H1 TIP3 8352 60.380 1.445 2.635 1.00 0.00 WT5 H ATOM 53628 H2 TIP3 8352 58.883 1.673 2.635 1.00 0.00 WT5 H ATOM 53629 OH2 TIP3 8357 46.965 91.728 10.648 1.00 0.00 WT5 O ATOM 53630 H1 TIP3 8357 47.591 91.199 10.153 1.00 0.00 WT5 H ATOM 53631 H2 TIP3 8357 47.450 92.012 11.423 1.00 0.00 WT5 H ATOM 53632 OH2 TIP3 8361 81.839 87.239 38.803 1.00 0.00 WT5 O ATOM 53633 H1 TIP3 8361 80.908 87.311 39.012 1.00 0.00 WT5 H ATOM 53634 H2 TIP3 8361 81.893 87.451 37.871 1.00 0.00 WT5 H ATOM 53635 OH2 TIP3 8368 66.202 69.090 18.638 1.00 0.00 WT5 O ATOM 53636 H1 TIP3 8368 65.257 68.992 18.754 1.00 0.00 WT5 H ATOM 53637 H2 TIP3 8368 66.313 69.983 18.312 1.00 0.00 WT5 H ATOM 53638 OH2 TIP3 8375 27.542 84.088 53.883 1.00 0.00 WT5 O ATOM 53639 H1 TIP3 8375 26.807 83.952 54.480 1.00 0.00 WT5 H ATOM 53640 H2 TIP3 8375 28.218 83.486 54.192 1.00 0.00 WT5 H ATOM 53641 OH2 TIP3 8376 36.550 1.655 24.989 1.00 0.00 WT5 O ATOM 53642 H1 TIP3 8376 37.225 2.130 24.503 1.00 0.00 WT5 H ATOM 53643 H2 TIP3 8376 36.226 2.288 25.630 1.00 0.00 WT5 H ATOM 53644 OH2 TIP3 8383 64.611 42.595 -5.816 1.00 0.00 WT5 O ATOM 53645 H1 TIP3 8383 64.059 42.995 -5.144 1.00 0.00 WT5 H ATOM 53646 H2 TIP3 8383 64.155 41.788 -6.053 1.00 0.00 WT5 H ATOM 53647 OH2 TIP3 8393 68.128 27.644 8.877 1.00 0.00 WT5 O ATOM 53648 H1 TIP3 8393 68.988 28.016 8.681 1.00 0.00 WT5 H ATOM 53649 H2 TIP3 8393 67.505 28.297 8.557 1.00 0.00 WT5 H ATOM 53650 OH2 TIP3 8395 64.518 26.065 47.963 1.00 0.00 WT5 O ATOM 53651 H1 TIP3 8395 64.321 26.085 47.027 1.00 0.00 WT5 H ATOM 53652 H2 TIP3 8395 64.183 26.898 48.296 1.00 0.00 WT5 H ATOM 53653 OH2 TIP3 8403 37.580 8.296 41.126 1.00 0.00 WT5 O ATOM 53654 H1 TIP3 8403 37.382 9.048 41.684 1.00 0.00 WT5 H ATOM 53655 H2 TIP3 8403 37.240 8.541 40.265 1.00 0.00 WT5 H ATOM 53656 OH2 TIP3 8408 58.501 32.300 57.361 1.00 0.00 WT5 O ATOM 53657 H1 TIP3 8408 58.278 33.193 57.622 1.00 0.00 WT5 H ATOM 53658 H2 TIP3 8408 58.109 31.747 58.038 1.00 0.00 WT5 H ATOM 53659 OH2 TIP3 8411 37.682 19.008 38.076 1.00 0.00 WT5 O ATOM 53660 H1 TIP3 8411 38.580 19.042 37.746 1.00 0.00 WT5 H ATOM 53661 H2 TIP3 8411 37.168 19.482 37.423 1.00 0.00 WT5 H ATOM 53662 OH2 TIP3 8414 53.281 88.364 63.978 1.00 0.00 WT5 O ATOM 53663 H1 TIP3 8414 54.164 87.999 64.045 1.00 0.00 WT5 H ATOM 53664 H2 TIP3 8414 52.819 87.768 63.389 1.00 0.00 WT5 H ATOM 53665 OH2 TIP3 8419 27.540 1.614 51.877 1.00 0.00 WT5 O ATOM 53666 H1 TIP3 8419 27.880 1.780 50.998 1.00 0.00 WT5 H ATOM 53667 H2 TIP3 8419 28.185 1.033 52.279 1.00 0.00 WT5 H ATOM 53668 OH2 TIP3 8425 55.158 30.215 -18.671 1.00 0.00 WT5 O ATOM 53669 H1 TIP3 8425 55.691 30.371 -19.451 1.00 0.00 WT5 H ATOM 53670 H2 TIP3 8425 54.732 29.374 -18.836 1.00 0.00 WT5 H ATOM 53671 OH2 TIP3 8440 41.353 2.892 38.006 1.00 0.00 WT5 O ATOM 53672 H1 TIP3 8440 40.660 3.030 38.651 1.00 0.00 WT5 H ATOM 53673 H2 TIP3 8440 40.888 2.762 37.179 1.00 0.00 WT5 H ATOM 53674 OH2 TIP3 8448 74.003 23.842 36.671 1.00 0.00 WT5 O ATOM 53675 H1 TIP3 8448 74.422 23.442 35.909 1.00 0.00 WT5 H ATOM 53676 H2 TIP3 8448 74.547 23.576 37.412 1.00 0.00 WT5 H ATOM 53677 OH2 TIP3 8452 22.598 34.050 63.305 1.00 0.00 WT5 O ATOM 53678 H1 TIP3 8452 21.741 33.652 63.151 1.00 0.00 WT5 H ATOM 53679 H2 TIP3 8452 22.770 34.563 62.515 1.00 0.00 WT5 H ATOM 53680 OH2 TIP3 8459 60.385 9.301 12.212 1.00 0.00 WT5 O ATOM 53681 H1 TIP3 8459 59.533 9.278 11.776 1.00 0.00 WT5 H ATOM 53682 H2 TIP3 8459 61.021 9.242 11.499 1.00 0.00 WT5 H ATOM 53683 OH2 TIP3 8466 81.089 32.980 51.757 1.00 0.00 WT5 O ATOM 53684 H1 TIP3 8466 80.676 33.255 50.939 1.00 0.00 WT5 H ATOM 53685 H2 TIP3 8466 81.117 33.773 52.291 1.00 0.00 WT5 H ATOM 53686 OH2 TIP3 8468 40.311 24.185 57.111 1.00 0.00 WT5 O ATOM 53687 H1 TIP3 8468 41.007 23.763 56.608 1.00 0.00 WT5 H ATOM 53688 H2 TIP3 8468 40.022 23.514 57.731 1.00 0.00 WT5 H ATOM 53689 OH2 TIP3 8488 66.987 52.168 21.464 1.00 0.00 WT5 O ATOM 53690 H1 TIP3 8488 66.608 51.977 20.606 1.00 0.00 WT5 H ATOM 53691 H2 TIP3 8488 66.517 52.946 21.765 1.00 0.00 WT5 H ATOM 53692 OH2 TIP3 8492 21.375 36.091 26.487 1.00 0.00 WT5 O ATOM 53693 H1 TIP3 8492 22.046 36.474 25.921 1.00 0.00 WT5 H ATOM 53694 H2 TIP3 8492 20.636 36.695 26.424 1.00 0.00 WT5 H ATOM 53695 OH2 TIP3 8500 52.262 88.629 55.755 1.00 0.00 WT5 O ATOM 53696 H1 TIP3 8500 51.951 88.847 54.877 1.00 0.00 WT5 H ATOM 53697 H2 TIP3 8500 51.958 87.733 55.902 1.00 0.00 WT5 H ATOM 53698 OH2 TIP3 8518 77.838 10.440 58.944 1.00 0.00 WT5 O ATOM 53699 H1 TIP3 8518 78.120 10.482 58.030 1.00 0.00 WT5 H ATOM 53700 H2 TIP3 8518 77.752 9.505 59.126 1.00 0.00 WT5 H ATOM 53701 OH2 TIP3 8520 58.973 12.838 10.761 1.00 0.00 WT5 O ATOM 53702 H1 TIP3 8520 58.188 12.292 10.713 1.00 0.00 WT5 H ATOM 53703 H2 TIP3 8520 58.642 13.735 10.772 1.00 0.00 WT5 H ATOM 53704 OH2 TIP3 8534 53.569 95.141 29.845 1.00 0.00 WT5 O ATOM 53705 H1 TIP3 8534 53.277 96.046 29.960 1.00 0.00 WT5 H ATOM 53706 H2 TIP3 8534 53.771 95.072 28.912 1.00 0.00 WT5 H ATOM 53707 OH2 TIP3 8536 50.112 4.539 -10.523 1.00 0.00 WT5 O ATOM 53708 H1 TIP3 8536 49.999 3.594 -10.417 1.00 0.00 WT5 H ATOM 53709 H2 TIP3 8536 50.173 4.668 -11.470 1.00 0.00 WT5 H ATOM 53710 OH2 TIP3 8537 30.552 37.613 45.193 1.00 0.00 WT5 O ATOM 53711 H1 TIP3 8537 30.845 38.319 45.770 1.00 0.00 WT5 H ATOM 53712 H2 TIP3 8537 31.349 37.313 44.757 1.00 0.00 WT5 H ATOM 53713 OH2 TIP3 8549 86.141 79.207 31.683 1.00 0.00 WT5 O ATOM 53714 H1 TIP3 8549 87.046 79.173 31.373 1.00 0.00 WT5 H ATOM 53715 H2 TIP3 8549 85.629 78.820 30.973 1.00 0.00 WT5 H ATOM 53716 OH2 TIP3 8556 86.376 69.307 -4.470 1.00 0.00 WT5 O ATOM 53717 H1 TIP3 8556 86.839 68.489 -4.288 1.00 0.00 WT5 H ATOM 53718 H2 TIP3 8556 85.614 69.285 -3.891 1.00 0.00 WT5 H ATOM 53719 OH2 TIP3 8558 69.892 84.407 -7.613 1.00 0.00 WT5 O ATOM 53720 H1 TIP3 8558 70.223 84.911 -8.357 1.00 0.00 WT5 H ATOM 53721 H2 TIP3 8558 68.997 84.176 -7.859 1.00 0.00 WT5 H ATOM 53722 OH2 TIP3 8560 24.630 50.175 62.146 1.00 0.00 WT5 O ATOM 53723 H1 TIP3 8560 24.270 49.487 62.706 1.00 0.00 WT5 H ATOM 53724 H2 TIP3 8560 25.344 49.749 61.672 1.00 0.00 WT5 H ATOM 53725 OH2 TIP3 8566 84.825 16.701 1.343 1.00 0.00 WT5 O ATOM 53726 H1 TIP3 8566 84.053 16.764 0.779 1.00 0.00 WT5 H ATOM 53727 H2 TIP3 8566 84.471 16.671 2.232 1.00 0.00 WT5 H ATOM 53728 OH2 TIP3 8567 55.007 67.732 51.576 1.00 0.00 WT5 O ATOM 53729 H1 TIP3 8567 55.163 67.484 50.664 1.00 0.00 WT5 H ATOM 53730 H2 TIP3 8567 54.876 68.680 51.547 1.00 0.00 WT5 H ATOM 53731 OH2 TIP3 8570 32.734 64.488 32.058 1.00 0.00 WT5 O ATOM 53732 H1 TIP3 8570 32.820 63.655 32.523 1.00 0.00 WT5 H ATOM 53733 H2 TIP3 8570 33.156 64.335 31.213 1.00 0.00 WT5 H ATOM 53734 OH2 TIP3 8574 71.873 4.809 45.880 1.00 0.00 WT5 O ATOM 53735 H1 TIP3 8574 71.290 5.216 46.521 1.00 0.00 WT5 H ATOM 53736 H2 TIP3 8574 72.365 4.159 46.382 1.00 0.00 WT5 H ATOM 53737 OH2 TIP3 8585 37.861 25.091 5.708 1.00 0.00 WT5 O ATOM 53738 H1 TIP3 8585 37.194 25.591 5.237 1.00 0.00 WT5 H ATOM 53739 H2 TIP3 8585 38.430 24.743 5.022 1.00 0.00 WT5 H ATOM 53740 OH2 TIP3 8600 23.106 91.261 11.689 1.00 0.00 WT5 O ATOM 53741 H1 TIP3 8600 22.765 90.515 12.182 1.00 0.00 WT5 H ATOM 53742 H2 TIP3 8600 23.803 90.892 11.147 1.00 0.00 WT5 H ATOM 53743 OH2 TIP3 8608 41.578 13.125 20.275 1.00 0.00 WT5 O ATOM 53744 H1 TIP3 8608 41.294 13.937 19.856 1.00 0.00 WT5 H ATOM 53745 H2 TIP3 8608 42.234 12.763 19.679 1.00 0.00 WT5 H ATOM 53746 OH2 TIP3 8622 73.700 64.259 27.168 1.00 0.00 WT5 O ATOM 53747 H1 TIP3 8622 72.975 64.553 26.618 1.00 0.00 WT5 H ATOM 53748 H2 TIP3 8622 73.537 63.325 27.302 1.00 0.00 WT5 H ATOM 53749 OH2 TIP3 8626 31.182 20.571 -12.140 1.00 0.00 WT5 O ATOM 53750 H1 TIP3 8626 31.247 20.856 -11.229 1.00 0.00 WT5 H ATOM 53751 H2 TIP3 8626 30.525 19.875 -12.129 1.00 0.00 WT5 H ATOM 53752 OH2 TIP3 8628 66.263 32.297 64.059 1.00 0.00 WT5 O ATOM 53753 H1 TIP3 8628 65.345 32.127 64.271 1.00 0.00 WT5 H ATOM 53754 H2 TIP3 8628 66.413 33.198 64.347 1.00 0.00 WT5 H ATOM 53755 OH2 TIP3 8642 44.760 46.715 61.877 1.00 0.00 WT5 O ATOM 53756 H1 TIP3 8642 45.393 46.688 62.595 1.00 0.00 WT5 H ATOM 53757 H2 TIP3 8642 44.711 47.640 61.636 1.00 0.00 WT5 H ATOM 53758 OH2 TIP3 8645 59.559 5.210 55.331 1.00 0.00 WT5 O ATOM 53759 H1 TIP3 8645 59.506 4.949 54.412 1.00 0.00 WT5 H ATOM 53760 H2 TIP3 8645 60.496 5.308 55.499 1.00 0.00 WT5 H ATOM 53761 OH2 TIP3 8653 60.047 31.878 53.369 1.00 0.00 WT5 O ATOM 53762 H1 TIP3 8653 60.946 32.182 53.497 1.00 0.00 WT5 H ATOM 53763 H2 TIP3 8653 59.608 32.605 52.929 1.00 0.00 WT5 H ATOM 53764 OH2 TIP3 8658 68.580 48.033 48.455 1.00 0.00 WT5 O ATOM 53765 H1 TIP3 8658 68.643 48.758 47.834 1.00 0.00 WT5 H ATOM 53766 H2 TIP3 8658 67.716 47.653 48.292 1.00 0.00 WT5 H ATOM 53767 OH2 TIP3 8661 67.191 29.484 -7.124 1.00 0.00 WT5 O ATOM 53768 H1 TIP3 8661 66.308 29.354 -7.469 1.00 0.00 WT5 H ATOM 53769 H2 TIP3 8661 67.382 30.406 -7.296 1.00 0.00 WT5 H ATOM 53770 OH2 TIP3 8662 41.213 44.027 52.427 1.00 0.00 WT5 O ATOM 53771 H1 TIP3 8662 40.437 44.016 51.866 1.00 0.00 WT5 H ATOM 53772 H2 TIP3 8662 41.947 43.914 51.824 1.00 0.00 WT5 H ATOM 53773 OH2 TIP3 8666 39.357 49.294 6.457 1.00 0.00 WT5 O ATOM 53774 H1 TIP3 8666 39.892 49.439 5.677 1.00 0.00 WT5 H ATOM 53775 H2 TIP3 8666 39.921 48.790 7.044 1.00 0.00 WT5 H ATOM 53776 OH2 TIP3 8675 68.533 30.286 2.607 1.00 0.00 WT5 O ATOM 53777 H1 TIP3 8675 68.065 31.112 2.727 1.00 0.00 WT5 H ATOM 53778 H2 TIP3 8675 69.273 30.339 3.211 1.00 0.00 WT5 H ATOM 53779 OH2 TIP3 8679 36.217 69.995 13.800 1.00 0.00 WT5 O ATOM 53780 H1 TIP3 8679 37.137 70.210 13.955 1.00 0.00 WT5 H ATOM 53781 H2 TIP3 8679 36.000 70.444 12.984 1.00 0.00 WT5 H ATOM 53782 OH2 TIP3 8680 26.351 82.517 63.662 1.00 0.00 WT5 O ATOM 53783 H1 TIP3 8680 26.597 83.442 63.624 1.00 0.00 WT5 H ATOM 53784 H2 TIP3 8680 25.465 82.490 63.302 1.00 0.00 WT5 H ATOM 53785 OH2 TIP3 8683 60.192 75.478 4.072 1.00 0.00 WT5 O ATOM 53786 H1 TIP3 8683 60.661 74.794 4.550 1.00 0.00 WT5 H ATOM 53787 H2 TIP3 8683 59.878 76.073 4.753 1.00 0.00 WT5 H ATOM 53788 OH2 TIP3 8687 46.392 37.499 17.645 1.00 0.00 WT5 O ATOM 53789 H1 TIP3 8687 47.315 37.679 17.824 1.00 0.00 WT5 H ATOM 53790 H2 TIP3 8687 46.268 36.589 17.917 1.00 0.00 WT5 H ATOM 53791 OH2 TIP3 8688 66.674 5.957 5.618 1.00 0.00 WT5 O ATOM 53792 H1 TIP3 8688 65.966 5.615 6.165 1.00 0.00 WT5 H ATOM 53793 H2 TIP3 8688 66.312 5.960 4.732 1.00 0.00 WT5 H ATOM 53794 OH2 TIP3 8690 82.514 36.736 28.859 1.00 0.00 WT5 O ATOM 53795 H1 TIP3 8690 82.811 37.642 28.939 1.00 0.00 WT5 H ATOM 53796 H2 TIP3 8690 82.215 36.502 29.737 1.00 0.00 WT5 H ATOM 53797 OH2 TIP3 8691 85.355 46.540 3.942 1.00 0.00 WT5 O ATOM 53798 H1 TIP3 8691 85.988 45.934 4.327 1.00 0.00 WT5 H ATOM 53799 H2 TIP3 8691 84.770 46.767 4.665 1.00 0.00 WT5 H ATOM 53800 OH2 TIP3 8695 70.111 84.184 49.585 1.00 0.00 WT5 O ATOM 53801 H1 TIP3 8695 71.001 83.833 49.613 1.00 0.00 WT5 H ATOM 53802 H2 TIP3 8695 69.571 83.499 49.977 1.00 0.00 WT5 H ATOM 53803 OH2 TIP3 8699 51.190 80.519 40.077 1.00 0.00 WT5 O ATOM 53804 H1 TIP3 8699 50.607 80.324 39.344 1.00 0.00 WT5 H ATOM 53805 H2 TIP3 8699 50.621 80.505 40.847 1.00 0.00 WT5 H ATOM 53806 OH2 TIP3 8701 56.754 74.469 46.398 1.00 0.00 WT5 O ATOM 53807 H1 TIP3 8701 55.881 74.801 46.186 1.00 0.00 WT5 H ATOM 53808 H2 TIP3 8701 57.062 75.037 47.104 1.00 0.00 WT5 H ATOM 53809 OH2 TIP3 8711 89.581 90.866 45.379 1.00 0.00 WT5 O ATOM 53810 H1 TIP3 8711 89.017 90.310 45.916 1.00 0.00 WT5 H ATOM 53811 H2 TIP3 8711 90.032 90.257 44.794 1.00 0.00 WT5 H ATOM 53812 OH2 TIP3 8713 57.013 81.707 63.384 1.00 0.00 WT5 O ATOM 53813 H1 TIP3 8713 56.968 81.934 62.456 1.00 0.00 WT5 H ATOM 53814 H2 TIP3 8713 57.033 80.750 63.397 1.00 0.00 WT5 H ATOM 53815 OH2 TIP3 8721 30.981 63.245 -7.377 1.00 0.00 WT5 O ATOM 53816 H1 TIP3 8721 30.051 63.055 -7.499 1.00 0.00 WT5 H ATOM 53817 H2 TIP3 8721 30.999 64.123 -6.996 1.00 0.00 WT5 H ATOM 53818 OH2 TIP3 8722 32.428 84.182 10.251 1.00 0.00 WT5 O ATOM 53819 H1 TIP3 8722 31.719 84.710 9.885 1.00 0.00 WT5 H ATOM 53820 H2 TIP3 8722 33.008 84.818 10.671 1.00 0.00 WT5 H ATOM 53821 OH2 TIP3 8723 58.528 42.352 51.569 1.00 0.00 WT5 O ATOM 53822 H1 TIP3 8723 59.078 41.780 52.104 1.00 0.00 WT5 H ATOM 53823 H2 TIP3 8723 58.344 41.840 50.781 1.00 0.00 WT5 H ATOM 53824 OH2 TIP3 8732 25.744 28.046 -4.148 1.00 0.00 WT5 O ATOM 53825 H1 TIP3 8732 25.981 28.428 -3.304 1.00 0.00 WT5 H ATOM 53826 H2 TIP3 8732 26.019 28.698 -4.793 1.00 0.00 WT5 H ATOM 53827 OH2 TIP3 8748 62.866 57.737 46.236 1.00 0.00 WT5 O ATOM 53828 H1 TIP3 8748 63.345 58.073 45.479 1.00 0.00 WT5 H ATOM 53829 H2 TIP3 8748 62.112 58.320 46.322 1.00 0.00 WT5 H ATOM 53830 OH2 TIP3 8774 69.513 89.134 8.927 1.00 0.00 WT5 O ATOM 53831 H1 TIP3 8774 68.740 89.499 9.357 1.00 0.00 WT5 H ATOM 53832 H2 TIP3 8774 69.843 88.478 9.542 1.00 0.00 WT5 H ATOM 53833 OH2 TIP3 8780 63.567 40.915 54.126 1.00 0.00 WT5 O ATOM 53834 H1 TIP3 8780 64.197 41.413 53.604 1.00 0.00 WT5 H ATOM 53835 H2 TIP3 8780 62.804 41.488 54.192 1.00 0.00 WT5 H ATOM 53836 OH2 TIP3 8791 53.216 60.344 47.152 1.00 0.00 WT5 O ATOM 53837 H1 TIP3 8791 54.127 60.381 47.443 1.00 0.00 WT5 H ATOM 53838 H2 TIP3 8791 53.270 60.340 46.196 1.00 0.00 WT5 H ATOM 53839 OH2 TIP3 8800 47.827 40.642 7.172 1.00 0.00 WT5 O ATOM 53840 H1 TIP3 8800 47.320 40.363 7.935 1.00 0.00 WT5 H ATOM 53841 H2 TIP3 8800 48.694 40.847 7.522 1.00 0.00 WT5 H ATOM 53842 OH2 TIP3 8809 21.692 15.374 54.150 1.00 0.00 WT5 O ATOM 53843 H1 TIP3 8809 21.883 14.559 54.615 1.00 0.00 WT5 H ATOM 53844 H2 TIP3 8809 21.343 15.958 54.823 1.00 0.00 WT5 H ATOM 53845 OH2 TIP3 8813 32.080 81.728 11.573 1.00 0.00 WT5 O ATOM 53846 H1 TIP3 8813 32.205 82.602 11.202 1.00 0.00 WT5 H ATOM 53847 H2 TIP3 8813 32.919 81.521 11.985 1.00 0.00 WT5 H ATOM 53848 OH2 TIP3 8822 21.498 77.364 -5.574 1.00 0.00 WT5 O ATOM 53849 H1 TIP3 8822 20.580 77.250 -5.330 1.00 0.00 WT5 H ATOM 53850 H2 TIP3 8822 21.534 78.231 -5.977 1.00 0.00 WT5 H ATOM 53851 OH2 TIP3 8824 21.903 72.379 41.680 1.00 0.00 WT5 O ATOM 53852 H1 TIP3 8824 22.713 72.838 41.455 1.00 0.00 WT5 H ATOM 53853 H2 TIP3 8824 21.866 71.644 41.069 1.00 0.00 WT5 H ATOM 53854 OH2 TIP3 8829 60.405 85.504 -6.475 1.00 0.00 WT5 O ATOM 53855 H1 TIP3 8829 60.400 86.013 -5.665 1.00 0.00 WT5 H ATOM 53856 H2 TIP3 8829 59.628 84.948 -6.414 1.00 0.00 WT5 H ATOM 53857 OH2 TIP3 8833 55.646 26.130 -13.735 1.00 0.00 WT5 O ATOM 53858 H1 TIP3 8833 55.541 26.272 -12.794 1.00 0.00 WT5 H ATOM 53859 H2 TIP3 8833 54.758 25.973 -14.055 1.00 0.00 WT5 H ATOM 53860 OH2 TIP3 8841 36.039 32.023 66.817 1.00 0.00 WT5 O ATOM 53861 H1 TIP3 8841 36.783 32.027 66.215 1.00 0.00 WT5 H ATOM 53862 H2 TIP3 8841 36.311 32.587 67.540 1.00 0.00 WT5 H ATOM 53863 OH2 TIP3 8845 80.845 62.511 16.246 1.00 0.00 WT5 O ATOM 53864 H1 TIP3 8845 81.470 62.086 16.834 1.00 0.00 WT5 H ATOM 53865 H2 TIP3 8845 80.273 61.803 15.951 1.00 0.00 WT5 H ATOM 53866 OH2 TIP3 8851 49.427 3.231 18.686 1.00 0.00 WT5 O ATOM 53867 H1 TIP3 8851 48.746 3.020 19.324 1.00 0.00 WT5 H ATOM 53868 H2 TIP3 8851 49.301 4.162 18.500 1.00 0.00 WT5 H ATOM 53869 OH2 TIP3 8855 72.383 48.810 -17.531 1.00 0.00 WT5 O ATOM 53870 H1 TIP3 8855 72.291 49.237 -18.382 1.00 0.00 WT5 H ATOM 53871 H2 TIP3 8855 71.869 48.006 -17.609 1.00 0.00 WT5 H ATOM 53872 OH2 TIP3 8860 44.062 87.965 49.618 1.00 0.00 WT5 O ATOM 53873 H1 TIP3 8860 43.463 87.730 50.326 1.00 0.00 WT5 H ATOM 53874 H2 TIP3 8860 44.139 87.168 49.093 1.00 0.00 WT5 H ATOM 53875 OH2 TIP3 8864 58.519 10.354 66.616 1.00 0.00 WT5 O ATOM 53876 H1 TIP3 8864 59.422 10.533 66.352 1.00 0.00 WT5 H ATOM 53877 H2 TIP3 8864 58.219 11.170 67.016 1.00 0.00 WT5 H ATOM 53878 OH2 TIP3 8870 78.585 55.949 5.710 1.00 0.00 WT5 O ATOM 53879 H1 TIP3 8870 79.314 55.490 6.127 1.00 0.00 WT5 H ATOM 53880 H2 TIP3 8870 77.990 56.158 6.431 1.00 0.00 WT5 H ATOM 53881 OH2 TIP3 8872 81.707 55.839 11.141 1.00 0.00 WT5 O ATOM 53882 H1 TIP3 8872 81.071 55.244 11.538 1.00 0.00 WT5 H ATOM 53883 H2 TIP3 8872 82.475 55.782 11.710 1.00 0.00 WT5 H ATOM 53884 OH2 TIP3 8876 30.843 65.809 -6.325 1.00 0.00 WT5 O ATOM 53885 H1 TIP3 8876 31.163 66.077 -5.463 1.00 0.00 WT5 H ATOM 53886 H2 TIP3 8876 30.033 66.304 -6.444 1.00 0.00 WT5 H ATOM 53887 OH2 TIP3 8877 75.171 42.604 53.040 1.00 0.00 WT5 O ATOM 53888 H1 TIP3 8877 75.508 42.728 53.927 1.00 0.00 WT5 H ATOM 53889 H2 TIP3 8877 75.165 43.482 52.660 1.00 0.00 WT5 H ATOM 53890 OH2 TIP3 8879 81.029 34.896 34.555 1.00 0.00 WT5 O ATOM 53891 H1 TIP3 8879 81.135 34.994 35.501 1.00 0.00 WT5 H ATOM 53892 H2 TIP3 8879 81.912 34.723 34.230 1.00 0.00 WT5 H ATOM 53893 OH2 TIP3 8890 30.289 35.606 9.427 1.00 0.00 WT5 O ATOM 53894 H1 TIP3 8890 31.228 35.534 9.255 1.00 0.00 WT5 H ATOM 53895 H2 TIP3 8890 30.235 35.934 10.325 1.00 0.00 WT5 H ATOM 53896 OH2 TIP3 8892 55.515 54.111 2.826 1.00 0.00 WT5 O ATOM 53897 H1 TIP3 8892 56.093 54.534 3.461 1.00 0.00 WT5 H ATOM 53898 H2 TIP3 8892 54.686 54.581 2.904 1.00 0.00 WT5 H ATOM 53899 OH2 TIP3 8893 42.270 16.668 -0.775 1.00 0.00 WT5 O ATOM 53900 H1 TIP3 8893 41.970 16.513 -1.671 1.00 0.00 WT5 H ATOM 53901 H2 TIP3 8893 41.520 16.435 -0.227 1.00 0.00 WT5 H ATOM 53902 OH2 TIP3 8894 90.230 58.660 -3.089 1.00 0.00 WT5 O ATOM 53903 H1 TIP3 8894 91.135 58.386 -2.939 1.00 0.00 WT5 H ATOM 53904 H2 TIP3 8894 89.921 58.949 -2.230 1.00 0.00 WT5 H ATOM 53905 OH2 TIP3 8904 24.849 12.163 30.658 1.00 0.00 WT5 O ATOM 53906 H1 TIP3 8904 25.429 11.476 30.988 1.00 0.00 WT5 H ATOM 53907 H2 TIP3 8904 24.838 12.034 29.710 1.00 0.00 WT5 H ATOM 53908 OH2 TIP3 8920 55.323 91.264 -10.052 1.00 0.00 WT5 O ATOM 53909 H1 TIP3 8920 55.322 90.898 -9.168 1.00 0.00 WT5 H ATOM 53910 H2 TIP3 8920 55.844 90.647 -10.567 1.00 0.00 WT5 H ATOM 53911 OH2 TIP3 8927 28.034 58.640 -7.027 1.00 0.00 WT5 O ATOM 53912 H1 TIP3 8927 28.421 58.954 -6.209 1.00 0.00 WT5 H ATOM 53913 H2 TIP3 8927 27.269 58.134 -6.751 1.00 0.00 WT5 H ATOM 53914 OH2 TIP3 8935 29.509 94.428 -15.830 1.00 0.00 WT5 O ATOM 53915 H1 TIP3 8935 30.019 94.734 -15.079 1.00 0.00 WT5 H ATOM 53916 H2 TIP3 8935 30.087 93.809 -16.276 1.00 0.00 WT5 H ATOM 53917 OH2 TIP3 8937 64.894 80.090 21.285 1.00 0.00 WT5 O ATOM 53918 H1 TIP3 8937 64.474 79.310 20.922 1.00 0.00 WT5 H ATOM 53919 H2 TIP3 8937 64.649 80.795 20.686 1.00 0.00 WT5 H ATOM 53920 OH2 TIP3 8938 79.621 15.987 59.290 1.00 0.00 WT5 O ATOM 53921 H1 TIP3 8938 80.398 16.084 59.840 1.00 0.00 WT5 H ATOM 53922 H2 TIP3 8938 79.887 15.375 58.604 1.00 0.00 WT5 H ATOM 53923 OH2 TIP3 8939 85.298 67.550 -7.616 1.00 0.00 WT5 O ATOM 53924 H1 TIP3 8939 84.943 67.286 -8.465 1.00 0.00 WT5 H ATOM 53925 H2 TIP3 8939 86.182 67.860 -7.812 1.00 0.00 WT5 H ATOM 53926 OH2 TIP3 8942 63.448 83.138 29.767 1.00 0.00 WT5 O ATOM 53927 H1 TIP3 8942 63.208 82.811 30.633 1.00 0.00 WT5 H ATOM 53928 H2 TIP3 8942 64.082 82.502 29.437 1.00 0.00 WT5 H ATOM 53929 OH2 TIP3 8956 41.322 90.442 43.880 1.00 0.00 WT5 O ATOM 53930 H1 TIP3 8956 41.380 91.363 44.134 1.00 0.00 WT5 H ATOM 53931 H2 TIP3 8956 41.506 89.959 44.685 1.00 0.00 WT5 H ATOM 53932 OH2 TIP3 8960 40.667 7.236 17.582 1.00 0.00 WT5 O ATOM 53933 H1 TIP3 8960 40.308 7.739 18.314 1.00 0.00 WT5 H ATOM 53934 H2 TIP3 8960 40.748 6.344 17.922 1.00 0.00 WT5 H ATOM 53935 OH2 TIP3 8964 80.895 36.694 66.546 1.00 0.00 WT5 O ATOM 53936 H1 TIP3 8964 80.216 37.192 66.090 1.00 0.00 WT5 H ATOM 53937 H2 TIP3 8964 81.718 37.037 66.198 1.00 0.00 WT5 H ATOM 53938 OH2 TIP3 8972 66.521 43.857 8.964 1.00 0.00 WT5 O ATOM 53939 H1 TIP3 8972 66.352 43.250 9.684 1.00 0.00 WT5 H ATOM 53940 H2 TIP3 8972 66.533 44.721 9.376 1.00 0.00 WT5 H ATOM 53941 OH2 TIP3 8973 24.919 26.625 -8.361 1.00 0.00 WT5 O ATOM 53942 H1 TIP3 8973 24.226 27.285 -8.389 1.00 0.00 WT5 H ATOM 53943 H2 TIP3 8973 25.628 26.998 -8.884 1.00 0.00 WT5 H ATOM 53944 OH2 TIP3 8977 61.822 13.410 39.971 1.00 0.00 WT5 O ATOM 53945 H1 TIP3 8977 62.706 13.251 39.639 1.00 0.00 WT5 H ATOM 53946 H2 TIP3 8977 61.724 14.362 39.944 1.00 0.00 WT5 H ATOM 53947 OH2 TIP3 8982 75.388 40.439 -8.290 1.00 0.00 WT5 O ATOM 53948 H1 TIP3 8982 76.094 40.537 -8.930 1.00 0.00 WT5 H ATOM 53949 H2 TIP3 8982 75.688 39.742 -7.707 1.00 0.00 WT5 H ATOM 53950 OH2 TIP3 8984 70.485 20.711 52.715 1.00 0.00 WT5 O ATOM 53951 H1 TIP3 8984 70.406 19.757 52.685 1.00 0.00 WT5 H ATOM 53952 H2 TIP3 8984 69.876 20.980 53.403 1.00 0.00 WT5 H ATOM 53953 OH2 TIP3 8988 31.870 54.200 1.777 1.00 0.00 WT5 O ATOM 53954 H1 TIP3 8988 31.766 53.411 2.310 1.00 0.00 WT5 H ATOM 53955 H2 TIP3 8988 32.808 54.388 1.808 1.00 0.00 WT5 H ATOM 53956 OH2 TIP3 9005 39.483 34.500 57.862 1.00 0.00 WT5 O ATOM 53957 H1 TIP3 9005 39.767 35.260 57.355 1.00 0.00 WT5 H ATOM 53958 H2 TIP3 9005 38.533 34.597 57.927 1.00 0.00 WT5 H ATOM 53959 OH2 TIP3 9012 90.470 33.761 -4.520 1.00 0.00 WT5 O ATOM 53960 H1 TIP3 9012 91.208 33.737 -5.130 1.00 0.00 WT5 H ATOM 53961 H2 TIP3 9012 90.204 34.681 -4.502 1.00 0.00 WT5 H ATOM 53962 OH2 TIP3 9017 37.972 40.405 -2.494 1.00 0.00 WT5 O ATOM 53963 H1 TIP3 9017 37.456 41.080 -2.052 1.00 0.00 WT5 H ATOM 53964 H2 TIP3 9017 38.054 40.719 -3.395 1.00 0.00 WT5 H ATOM 53965 OH2 TIP3 9022 51.232 15.788 34.344 1.00 0.00 WT5 O ATOM 53966 H1 TIP3 9022 51.112 15.508 35.251 1.00 0.00 WT5 H ATOM 53967 H2 TIP3 9022 50.811 15.103 33.824 1.00 0.00 WT5 H ATOM 53968 OH2 TIP3 9029 20.606 36.209 33.911 1.00 0.00 WT5 O ATOM 53969 H1 TIP3 9029 20.361 36.384 33.002 1.00 0.00 WT5 H ATOM 53970 H2 TIP3 9029 20.051 36.795 34.426 1.00 0.00 WT5 H ATOM 53971 OH2 TIP3 9035 59.111 60.354 39.488 1.00 0.00 WT5 O ATOM 53972 H1 TIP3 9035 59.010 60.147 38.559 1.00 0.00 WT5 H ATOM 53973 H2 TIP3 9035 58.640 59.655 39.942 1.00 0.00 WT5 H ATOM 53974 OH2 TIP3 9047 77.285 36.385 41.438 1.00 0.00 WT5 O ATOM 53975 H1 TIP3 9047 76.898 36.402 42.313 1.00 0.00 WT5 H ATOM 53976 H2 TIP3 9047 77.241 37.293 41.138 1.00 0.00 WT5 H ATOM 53977 OH2 TIP3 9049 21.113 61.930 60.684 1.00 0.00 WT5 O ATOM 53978 H1 TIP3 9049 20.471 61.764 59.993 1.00 0.00 WT5 H ATOM 53979 H2 TIP3 9049 21.953 61.691 60.294 1.00 0.00 WT5 H ATOM 53980 OH2 TIP3 9055 40.146 8.218 42.482 1.00 0.00 WT5 O ATOM 53981 H1 TIP3 9055 39.243 8.273 42.795 1.00 0.00 WT5 H ATOM 53982 H2 TIP3 9055 40.291 9.045 42.022 1.00 0.00 WT5 H ATOM 53983 OH2 TIP3 9063 51.130 14.514 -10.158 1.00 0.00 WT5 O ATOM 53984 H1 TIP3 9063 50.454 15.189 -10.103 1.00 0.00 WT5 H ATOM 53985 H2 TIP3 9063 51.114 14.088 -9.301 1.00 0.00 WT5 H ATOM 53986 OH2 TIP3 9064 77.906 82.012 17.108 1.00 0.00 WT5 O ATOM 53987 H1 TIP3 9064 78.259 81.734 17.953 1.00 0.00 WT5 H ATOM 53988 H2 TIP3 9064 77.769 81.197 16.625 1.00 0.00 WT5 H ATOM 53989 OH2 TIP3 9065 34.345 63.689 29.606 1.00 0.00 WT5 O ATOM 53990 H1 TIP3 9065 34.936 64.302 30.043 1.00 0.00 WT5 H ATOM 53991 H2 TIP3 9065 34.850 63.355 28.865 1.00 0.00 WT5 H ATOM 53992 OH2 TIP3 9068 47.351 31.472 -15.594 1.00 0.00 WT5 O ATOM 53993 H1 TIP3 9068 47.818 31.545 -14.761 1.00 0.00 WT5 H ATOM 53994 H2 TIP3 9068 47.440 30.550 -15.838 1.00 0.00 WT5 H ATOM 53995 OH2 TIP3 9073 74.348 53.990 41.388 1.00 0.00 WT5 O ATOM 53996 H1 TIP3 9073 73.806 54.771 41.270 1.00 0.00 WT5 H ATOM 53997 H2 TIP3 9073 74.665 53.783 40.509 1.00 0.00 WT5 H ATOM 53998 OH2 TIP3 9077 36.297 72.967 60.328 1.00 0.00 WT5 O ATOM 53999 H1 TIP3 9077 35.753 72.454 59.731 1.00 0.00 WT5 H ATOM 54000 H2 TIP3 9077 36.743 72.314 60.867 1.00 0.00 WT5 H ATOM 54001 OH2 TIP3 9085 34.498 69.834 44.168 1.00 0.00 WT5 O ATOM 54002 H1 TIP3 9085 34.841 69.000 43.849 1.00 0.00 WT5 H ATOM 54003 H2 TIP3 9085 34.640 69.807 45.114 1.00 0.00 WT5 H ATOM 54004 OH2 TIP3 9091 35.375 21.811 11.560 1.00 0.00 WT5 O ATOM 54005 H1 TIP3 9091 34.808 21.132 11.195 1.00 0.00 WT5 H ATOM 54006 H2 TIP3 9091 36.178 21.349 11.803 1.00 0.00 WT5 H ATOM 54007 OH2 TIP3 9096 30.664 65.081 -16.912 1.00 0.00 WT5 O ATOM 54008 H1 TIP3 9096 29.980 64.584 -16.462 1.00 0.00 WT5 H ATOM 54009 H2 TIP3 9096 31.103 65.569 -16.216 1.00 0.00 WT5 H ATOM 54010 OH2 TIP3 9097 38.745 17.860 7.968 1.00 0.00 WT5 O ATOM 54011 H1 TIP3 9097 38.820 18.296 8.817 1.00 0.00 WT5 H ATOM 54012 H2 TIP3 9097 38.930 16.940 8.154 1.00 0.00 WT5 H ATOM 54013 OH2 TIP3 9102 72.229 49.111 4.043 1.00 0.00 WT5 O ATOM 54014 H1 TIP3 9102 72.550 48.649 4.818 1.00 0.00 WT5 H ATOM 54015 H2 TIP3 9102 71.430 49.547 4.338 1.00 0.00 WT5 H ATOM 54016 OH2 TIP3 9116 33.415 36.012 35.417 1.00 0.00 WT5 O ATOM 54017 H1 TIP3 9116 33.323 36.932 35.172 1.00 0.00 WT5 H ATOM 54018 H2 TIP3 9116 33.180 35.527 34.626 1.00 0.00 WT5 H ATOM 54019 OH2 TIP3 9118 72.742 9.579 61.149 1.00 0.00 WT5 O ATOM 54020 H1 TIP3 9118 72.926 8.916 61.814 1.00 0.00 WT5 H ATOM 54021 H2 TIP3 9118 73.584 9.726 60.718 1.00 0.00 WT5 H ATOM 54022 OH2 TIP3 9124 45.581 33.890 2.332 1.00 0.00 WT5 O ATOM 54023 H1 TIP3 9124 45.816 33.214 2.968 1.00 0.00 WT5 H ATOM 54024 H2 TIP3 9124 44.703 34.168 2.593 1.00 0.00 WT5 H ATOM 54025 OH2 TIP3 9125 50.023 60.640 -18.466 1.00 0.00 WT5 O ATOM 54026 H1 TIP3 9125 50.766 60.095 -18.206 1.00 0.00 WT5 H ATOM 54027 H2 TIP3 9125 49.641 60.184 -19.216 1.00 0.00 WT5 H ATOM 54028 OH2 TIP3 9133 68.232 46.162 31.201 1.00 0.00 WT5 O ATOM 54029 H1 TIP3 9133 67.661 45.531 30.763 1.00 0.00 WT5 H ATOM 54030 H2 TIP3 9133 68.107 46.977 30.714 1.00 0.00 WT5 H ATOM 54031 OH2 TIP3 9143 43.586 63.418 37.602 1.00 0.00 WT5 O ATOM 54032 H1 TIP3 9143 43.864 63.669 38.483 1.00 0.00 WT5 H ATOM 54033 H2 TIP3 9143 43.610 62.461 37.606 1.00 0.00 WT5 H ATOM 54034 OH2 TIP3 9144 78.030 85.492 8.781 1.00 0.00 WT5 O ATOM 54035 H1 TIP3 9144 78.149 86.422 8.977 1.00 0.00 WT5 H ATOM 54036 H2 TIP3 9144 78.800 85.256 8.262 1.00 0.00 WT5 H ATOM 54037 OH2 TIP3 9157 84.765 19.901 -14.710 1.00 0.00 WT5 O ATOM 54038 H1 TIP3 9157 85.556 20.398 -14.921 1.00 0.00 WT5 H ATOM 54039 H2 TIP3 9157 84.822 19.750 -13.766 1.00 0.00 WT5 H ATOM 54040 OH2 TIP3 9158 38.468 11.338 16.540 1.00 0.00 WT5 O ATOM 54041 H1 TIP3 9158 38.187 12.038 17.130 1.00 0.00 WT5 H ATOM 54042 H2 TIP3 9158 38.181 11.624 15.673 1.00 0.00 WT5 H ATOM 54043 OH2 TIP3 9162 77.015 34.489 56.670 1.00 0.00 WT5 O ATOM 54044 H1 TIP3 9162 77.843 34.016 56.586 1.00 0.00 WT5 H ATOM 54045 H2 TIP3 9162 76.539 34.284 55.865 1.00 0.00 WT5 H ATOM 54046 OH2 TIP3 9171 82.082 62.582 2.478 1.00 0.00 WT5 O ATOM 54047 H1 TIP3 9171 82.765 62.542 1.809 1.00 0.00 WT5 H ATOM 54048 H2 TIP3 9171 82.017 61.686 2.809 1.00 0.00 WT5 H ATOM 54049 OH2 TIP3 9178 85.289 37.978 -13.511 1.00 0.00 WT5 O ATOM 54050 H1 TIP3 9178 84.337 37.899 -13.446 1.00 0.00 WT5 H ATOM 54051 H2 TIP3 9178 85.431 38.819 -13.946 1.00 0.00 WT5 H ATOM 54052 OH2 TIP3 9179 88.116 34.391 4.405 1.00 0.00 WT5 O ATOM 54053 H1 TIP3 9179 88.838 34.728 4.935 1.00 0.00 WT5 H ATOM 54054 H2 TIP3 9179 87.662 33.776 4.982 1.00 0.00 WT5 H ATOM 54055 OH2 TIP3 9182 34.413 59.845 29.598 1.00 0.00 WT5 O ATOM 54056 H1 TIP3 9182 35.293 60.139 29.831 1.00 0.00 WT5 H ATOM 54057 H2 TIP3 9182 34.457 59.678 28.656 1.00 0.00 WT5 H ATOM 54058 OH2 TIP3 9183 65.580 69.812 -4.634 1.00 0.00 WT5 O ATOM 54059 H1 TIP3 9183 64.641 69.656 -4.734 1.00 0.00 WT5 H ATOM 54060 H2 TIP3 9183 65.697 70.732 -4.872 1.00 0.00 WT5 H ATOM 54061 OH2 TIP3 9184 68.842 50.471 13.143 1.00 0.00 WT5 O ATOM 54062 H1 TIP3 9184 67.932 50.466 13.439 1.00 0.00 WT5 H ATOM 54063 H2 TIP3 9184 69.356 50.560 13.946 1.00 0.00 WT5 H ATOM 54064 OH2 TIP3 9188 25.217 10.071 34.636 1.00 0.00 WT5 O ATOM 54065 H1 TIP3 9188 25.132 9.882 33.702 1.00 0.00 WT5 H ATOM 54066 H2 TIP3 9188 26.130 10.340 34.744 1.00 0.00 WT5 H ATOM 54067 OH2 TIP3 9198 75.404 21.804 58.730 1.00 0.00 WT5 O ATOM 54068 H1 TIP3 9198 75.840 22.400 59.339 1.00 0.00 WT5 H ATOM 54069 H2 TIP3 9198 76.079 21.577 58.091 1.00 0.00 WT5 H ATOM 54070 OH2 TIP3 9211 30.269 3.903 18.562 1.00 0.00 WT5 O ATOM 54071 H1 TIP3 9211 30.397 4.321 19.414 1.00 0.00 WT5 H ATOM 54072 H2 TIP3 9211 30.279 2.965 18.752 1.00 0.00 WT5 H ATOM 54073 OH2 TIP3 9218 38.171 23.027 -14.094 1.00 0.00 WT5 O ATOM 54074 H1 TIP3 9218 38.125 22.718 -13.189 1.00 0.00 WT5 H ATOM 54075 H2 TIP3 9218 38.825 22.463 -14.507 1.00 0.00 WT5 H ATOM 54076 OH2 TIP3 9223 39.509 81.688 -1.417 1.00 0.00 WT5 O ATOM 54077 H1 TIP3 9223 39.439 82.616 -1.640 1.00 0.00 WT5 H ATOM 54078 H2 TIP3 9223 39.580 81.675 -0.462 1.00 0.00 WT5 H ATOM 54079 OH2 TIP3 9227 33.777 6.853 -0.575 1.00 0.00 WT5 O ATOM 54080 H1 TIP3 9227 33.631 7.614 -1.138 1.00 0.00 WT5 H ATOM 54081 H2 TIP3 9227 34.418 7.151 0.070 1.00 0.00 WT5 H ATOM 54082 OH2 TIP3 9250 48.330 83.891 12.171 1.00 0.00 WT5 O ATOM 54083 H1 TIP3 9250 48.498 84.376 12.979 1.00 0.00 WT5 H ATOM 54084 H2 TIP3 9250 48.693 83.021 12.333 1.00 0.00 WT5 H ATOM 54085 OH2 TIP3 9254 81.991 42.673 5.107 1.00 0.00 WT5 O ATOM 54086 H1 TIP3 9254 82.153 41.732 5.034 1.00 0.00 WT5 H ATOM 54087 H2 TIP3 9254 82.790 43.024 5.498 1.00 0.00 WT5 H ATOM 54088 OH2 TIP3 2 23.798 51.990 31.947 1.00 0.00 WT6 O ATOM 54089 H1 TIP3 2 23.327 52.464 31.261 1.00 0.00 WT6 H ATOM 54090 H2 TIP3 2 24.456 51.479 31.477 1.00 0.00 WT6 H ATOM 54091 OH2 TIP3 5 69.727 6.958 53.168 1.00 0.00 WT6 O ATOM 54092 H1 TIP3 5 69.350 6.509 52.411 1.00 0.00 WT6 H ATOM 54093 H2 TIP3 5 69.901 7.847 52.856 1.00 0.00 WT6 H ATOM 54094 OH2 TIP3 40 56.357 85.816 61.393 1.00 0.00 WT6 O ATOM 54095 H1 TIP3 40 56.561 85.055 60.850 1.00 0.00 WT6 H ATOM 54096 H2 TIP3 40 55.836 86.383 60.825 1.00 0.00 WT6 H ATOM 54097 OH2 TIP3 44 68.490 89.399 22.210 1.00 0.00 WT6 O ATOM 54098 H1 TIP3 44 68.855 88.755 22.817 1.00 0.00 WT6 H ATOM 54099 H2 TIP3 44 67.759 89.792 22.687 1.00 0.00 WT6 H ATOM 54100 OH2 TIP3 48 30.425 47.396 0.415 1.00 0.00 WT6 O ATOM 54101 H1 TIP3 48 30.291 46.506 0.741 1.00 0.00 WT6 H ATOM 54102 H2 TIP3 48 29.552 47.788 0.423 1.00 0.00 WT6 H ATOM 54103 OH2 TIP3 65 34.880 17.210 46.937 1.00 0.00 WT6 O ATOM 54104 H1 TIP3 65 35.407 16.544 46.496 1.00 0.00 WT6 H ATOM 54105 H2 TIP3 65 34.583 17.786 46.233 1.00 0.00 WT6 H ATOM 54106 OH2 TIP3 67 47.684 63.314 14.087 1.00 0.00 WT6 O ATOM 54107 H1 TIP3 67 48.103 62.497 14.358 1.00 0.00 WT6 H ATOM 54108 H2 TIP3 67 48.359 63.776 13.591 1.00 0.00 WT6 H ATOM 54109 OH2 TIP3 87 70.293 43.251 35.524 1.00 0.00 WT6 O ATOM 54110 H1 TIP3 87 70.351 43.958 34.882 1.00 0.00 WT6 H ATOM 54111 H2 TIP3 87 69.564 43.500 36.091 1.00 0.00 WT6 H ATOM 54112 OH2 TIP3 113 56.930 48.012 64.715 1.00 0.00 WT6 O ATOM 54113 H1 TIP3 113 56.819 48.706 64.064 1.00 0.00 WT6 H ATOM 54114 H2 TIP3 113 56.103 48.002 65.198 1.00 0.00 WT6 H ATOM 54115 OH2 TIP3 149 64.580 15.958 -12.030 1.00 0.00 WT6 O ATOM 54116 H1 TIP3 149 65.123 16.220 -11.287 1.00 0.00 WT6 H ATOM 54117 H2 TIP3 149 64.057 16.734 -12.230 1.00 0.00 WT6 H ATOM 54118 OH2 TIP3 150 49.802 33.087 -7.211 1.00 0.00 WT6 O ATOM 54119 H1 TIP3 150 48.881 33.335 -7.287 1.00 0.00 WT6 H ATOM 54120 H2 TIP3 150 49.812 32.400 -6.544 1.00 0.00 WT6 H ATOM 54121 OH2 TIP3 167 89.958 90.967 -4.901 1.00 0.00 WT6 O ATOM 54122 H1 TIP3 167 90.012 91.767 -5.424 1.00 0.00 WT6 H ATOM 54123 H2 TIP3 167 89.387 90.388 -5.405 1.00 0.00 WT6 H ATOM 54124 OH2 TIP3 174 69.573 49.067 51.006 1.00 0.00 WT6 O ATOM 54125 H1 TIP3 174 69.678 50.018 51.041 1.00 0.00 WT6 H ATOM 54126 H2 TIP3 174 69.210 48.897 50.137 1.00 0.00 WT6 H ATOM 54127 OH2 TIP3 175 40.843 30.555 -15.955 1.00 0.00 WT6 O ATOM 54128 H1 TIP3 175 41.756 30.277 -15.878 1.00 0.00 WT6 H ATOM 54129 H2 TIP3 175 40.481 30.004 -16.649 1.00 0.00 WT6 H ATOM 54130 OH2 TIP3 178 21.545 92.942 -13.410 1.00 0.00 WT6 O ATOM 54131 H1 TIP3 178 22.475 93.168 -13.388 1.00 0.00 WT6 H ATOM 54132 H2 TIP3 178 21.527 91.990 -13.316 1.00 0.00 WT6 H ATOM 54133 OH2 TIP3 189 52.112 9.225 35.488 1.00 0.00 WT6 O ATOM 54134 H1 TIP3 189 52.984 9.537 35.728 1.00 0.00 WT6 H ATOM 54135 H2 TIP3 189 51.513 9.771 35.999 1.00 0.00 WT6 H ATOM 54136 OH2 TIP3 191 90.406 43.056 -2.354 1.00 0.00 WT6 O ATOM 54137 H1 TIP3 191 89.809 43.711 -1.993 1.00 0.00 WT6 H ATOM 54138 H2 TIP3 191 90.412 42.354 -1.703 1.00 0.00 WT6 H ATOM 54139 OH2 TIP3 194 21.384 42.371 -16.533 1.00 0.00 WT6 O ATOM 54140 H1 TIP3 194 22.081 41.788 -16.233 1.00 0.00 WT6 H ATOM 54141 H2 TIP3 194 21.817 43.215 -16.664 1.00 0.00 WT6 H ATOM 54142 OH2 TIP3 195 24.721 32.818 -7.972 1.00 0.00 WT6 O ATOM 54143 H1 TIP3 195 23.900 32.796 -8.463 1.00 0.00 WT6 H ATOM 54144 H2 TIP3 195 25.402 32.719 -8.638 1.00 0.00 WT6 H ATOM 54145 OH2 TIP3 196 38.275 5.858 39.037 1.00 0.00 WT6 O ATOM 54146 H1 TIP3 196 38.063 6.279 38.204 1.00 0.00 WT6 H ATOM 54147 H2 TIP3 196 38.821 6.495 39.496 1.00 0.00 WT6 H ATOM 54148 OH2 TIP3 237 76.503 96.639 -7.825 1.00 0.00 WT6 O ATOM 54149 H1 TIP3 237 76.900 95.946 -8.354 1.00 0.00 WT6 H ATOM 54150 H2 TIP3 237 77.206 97.275 -7.697 1.00 0.00 WT6 H ATOM 54151 OH2 TIP3 303 83.570 34.297 -20.051 1.00 0.00 WT6 O ATOM 54152 H1 TIP3 303 82.753 34.649 -19.698 1.00 0.00 WT6 H ATOM 54153 H2 TIP3 303 84.255 34.821 -19.635 1.00 0.00 WT6 H ATOM 54154 OH2 TIP3 338 74.894 8.426 36.873 1.00 0.00 WT6 O ATOM 54155 H1 TIP3 338 74.930 7.507 37.137 1.00 0.00 WT6 H ATOM 54156 H2 TIP3 338 73.969 8.661 36.950 1.00 0.00 WT6 H ATOM 54157 OH2 TIP3 344 83.512 75.201 16.012 1.00 0.00 WT6 O ATOM 54158 H1 TIP3 344 84.033 75.834 15.519 1.00 0.00 WT6 H ATOM 54159 H2 TIP3 344 84.110 74.471 16.173 1.00 0.00 WT6 H ATOM 54160 OH2 TIP3 384 86.747 47.701 26.498 1.00 0.00 WT6 O ATOM 54161 H1 TIP3 384 86.900 47.604 25.558 1.00 0.00 WT6 H ATOM 54162 H2 TIP3 384 86.629 48.643 26.626 1.00 0.00 WT6 H ATOM 54163 OH2 TIP3 401 57.411 15.407 62.124 1.00 0.00 WT6 O ATOM 54164 H1 TIP3 401 56.761 14.952 61.589 1.00 0.00 WT6 H ATOM 54165 H2 TIP3 401 57.550 14.830 62.875 1.00 0.00 WT6 H ATOM 54166 OH2 TIP3 416 26.104 59.315 66.389 1.00 0.00 WT6 O ATOM 54167 H1 TIP3 416 27.056 59.291 66.293 1.00 0.00 WT6 H ATOM 54168 H2 TIP3 416 25.827 58.409 66.254 1.00 0.00 WT6 H ATOM 54169 OH2 TIP3 425 21.846 72.032 44.927 1.00 0.00 WT6 O ATOM 54170 H1 TIP3 425 21.355 72.212 44.125 1.00 0.00 WT6 H ATOM 54171 H2 TIP3 425 21.184 71.731 45.550 1.00 0.00 WT6 H ATOM 54172 OH2 TIP3 460 26.766 36.718 47.680 1.00 0.00 WT6 O ATOM 54173 H1 TIP3 460 26.139 36.031 47.456 1.00 0.00 WT6 H ATOM 54174 H2 TIP3 460 27.149 36.977 46.842 1.00 0.00 WT6 H ATOM 54175 OH2 TIP3 470 76.930 5.292 9.519 1.00 0.00 WT6 O ATOM 54176 H1 TIP3 470 76.648 4.935 8.676 1.00 0.00 WT6 H ATOM 54177 H2 TIP3 470 77.120 4.521 10.054 1.00 0.00 WT6 H ATOM 54178 OH2 TIP3 472 65.554 64.909 -0.688 1.00 0.00 WT6 O ATOM 54179 H1 TIP3 472 64.661 64.877 -0.346 1.00 0.00 WT6 H ATOM 54180 H2 TIP3 472 66.058 65.349 -0.004 1.00 0.00 WT6 H ATOM 54181 OH2 TIP3 485 89.862 95.664 45.927 1.00 0.00 WT6 O ATOM 54182 H1 TIP3 485 89.179 95.743 45.261 1.00 0.00 WT6 H ATOM 54183 H2 TIP3 485 90.640 96.044 45.519 1.00 0.00 WT6 H ATOM 54184 OH2 TIP3 486 41.871 91.665 61.530 1.00 0.00 WT6 O ATOM 54185 H1 TIP3 486 40.937 91.518 61.386 1.00 0.00 WT6 H ATOM 54186 H2 TIP3 486 42.278 90.816 61.354 1.00 0.00 WT6 H ATOM 54187 OH2 TIP3 489 51.531 13.184 23.529 1.00 0.00 WT6 O ATOM 54188 H1 TIP3 489 51.581 13.998 24.030 1.00 0.00 WT6 H ATOM 54189 H2 TIP3 489 51.029 13.414 22.748 1.00 0.00 WT6 H ATOM 54190 OH2 TIP3 503 33.484 72.793 -19.810 1.00 0.00 WT6 O ATOM 54191 H1 TIP3 503 33.729 71.886 -19.993 1.00 0.00 WT6 H ATOM 54192 H2 TIP3 503 32.571 72.743 -19.528 1.00 0.00 WT6 H ATOM 54193 OH2 TIP3 506 30.357 6.158 -1.264 1.00 0.00 WT6 O ATOM 54194 H1 TIP3 506 29.704 5.461 -1.212 1.00 0.00 WT6 H ATOM 54195 H2 TIP3 506 30.369 6.543 -0.388 1.00 0.00 WT6 H ATOM 54196 OH2 TIP3 509 52.202 60.304 -13.300 1.00 0.00 WT6 O ATOM 54197 H1 TIP3 509 51.574 60.958 -12.992 1.00 0.00 WT6 H ATOM 54198 H2 TIP3 509 52.679 60.041 -12.513 1.00 0.00 WT6 H ATOM 54199 OH2 TIP3 511 79.227 62.253 42.288 1.00 0.00 WT6 O ATOM 54200 H1 TIP3 511 78.908 63.126 42.519 1.00 0.00 WT6 H ATOM 54201 H2 TIP3 511 80.099 62.406 41.922 1.00 0.00 WT6 H ATOM 54202 OH2 TIP3 548 29.478 80.268 52.663 1.00 0.00 WT6 O ATOM 54203 H1 TIP3 548 28.660 79.772 52.640 1.00 0.00 WT6 H ATOM 54204 H2 TIP3 548 29.487 80.754 51.838 1.00 0.00 WT6 H ATOM 54205 OH2 TIP3 550 81.775 88.932 55.404 1.00 0.00 WT6 O ATOM 54206 H1 TIP3 550 81.395 88.278 54.817 1.00 0.00 WT6 H ATOM 54207 H2 TIP3 550 82.309 89.485 54.834 1.00 0.00 WT6 H ATOM 54208 OH2 TIP3 551 56.002 38.472 62.184 1.00 0.00 WT6 O ATOM 54209 H1 TIP3 551 55.271 38.647 62.777 1.00 0.00 WT6 H ATOM 54210 H2 TIP3 551 55.757 38.904 61.366 1.00 0.00 WT6 H ATOM 54211 OH2 TIP3 562 72.031 39.835 46.058 1.00 0.00 WT6 O ATOM 54212 H1 TIP3 562 72.827 40.314 46.288 1.00 0.00 WT6 H ATOM 54213 H2 TIP3 562 72.204 38.935 46.336 1.00 0.00 WT6 H ATOM 54214 OH2 TIP3 570 37.622 18.797 54.959 1.00 0.00 WT6 O ATOM 54215 H1 TIP3 570 37.932 18.647 55.852 1.00 0.00 WT6 H ATOM 54216 H2 TIP3 570 38.326 19.293 54.541 1.00 0.00 WT6 H ATOM 54217 OH2 TIP3 573 78.394 53.965 66.175 1.00 0.00 WT6 O ATOM 54218 H1 TIP3 573 78.227 54.778 66.652 1.00 0.00 WT6 H ATOM 54219 H2 TIP3 573 77.558 53.500 66.192 1.00 0.00 WT6 H ATOM 54220 OH2 TIP3 575 29.755 88.836 44.485 1.00 0.00 WT6 O ATOM 54221 H1 TIP3 575 29.538 87.952 44.188 1.00 0.00 WT6 H ATOM 54222 H2 TIP3 575 29.870 89.339 43.678 1.00 0.00 WT6 H ATOM 54223 OH2 TIP3 584 63.104 90.271 49.427 1.00 0.00 WT6 O ATOM 54224 H1 TIP3 584 63.324 90.886 48.728 1.00 0.00 WT6 H ATOM 54225 H2 TIP3 584 62.656 89.552 48.982 1.00 0.00 WT6 H ATOM 54226 OH2 TIP3 591 71.663 28.322 26.332 1.00 0.00 WT6 O ATOM 54227 H1 TIP3 591 72.274 28.119 27.040 1.00 0.00 WT6 H ATOM 54228 H2 TIP3 591 72.208 28.716 25.651 1.00 0.00 WT6 H ATOM 54229 OH2 TIP3 593 45.423 24.445 35.944 1.00 0.00 WT6 O ATOM 54230 H1 TIP3 593 45.486 25.197 35.356 1.00 0.00 WT6 H ATOM 54231 H2 TIP3 593 44.871 24.748 36.665 1.00 0.00 WT6 H ATOM 54232 OH2 TIP3 594 37.306 15.170 54.530 1.00 0.00 WT6 O ATOM 54233 H1 TIP3 594 36.617 15.289 55.184 1.00 0.00 WT6 H ATOM 54234 H2 TIP3 594 37.023 15.700 53.785 1.00 0.00 WT6 H ATOM 54235 OH2 TIP3 616 70.732 15.794 46.520 1.00 0.00 WT6 O ATOM 54236 H1 TIP3 616 71.345 16.520 46.400 1.00 0.00 WT6 H ATOM 54237 H2 TIP3 616 69.890 16.217 46.689 1.00 0.00 WT6 H ATOM 54238 OH2 TIP3 638 58.365 54.518 61.346 1.00 0.00 WT6 O ATOM 54239 H1 TIP3 638 58.566 54.772 60.445 1.00 0.00 WT6 H ATOM 54240 H2 TIP3 638 58.011 53.632 61.271 1.00 0.00 WT6 H ATOM 54241 OH2 TIP3 677 21.176 65.209 3.130 1.00 0.00 WT6 O ATOM 54242 H1 TIP3 677 21.711 64.416 3.158 1.00 0.00 WT6 H ATOM 54243 H2 TIP3 677 21.089 65.407 2.197 1.00 0.00 WT6 H ATOM 54244 OH2 TIP3 715 62.955 91.007 52.863 1.00 0.00 WT6 O ATOM 54245 H1 TIP3 715 63.065 91.672 52.183 1.00 0.00 WT6 H ATOM 54246 H2 TIP3 715 63.706 90.424 52.752 1.00 0.00 WT6 H ATOM 54247 OH2 TIP3 717 37.000 3.301 33.188 1.00 0.00 WT6 O ATOM 54248 H1 TIP3 717 37.688 2.702 32.897 1.00 0.00 WT6 H ATOM 54249 H2 TIP3 717 36.198 2.780 33.153 1.00 0.00 WT6 H ATOM 54250 OH2 TIP3 721 65.018 41.686 49.539 1.00 0.00 WT6 O ATOM 54251 H1 TIP3 721 65.344 41.977 50.391 1.00 0.00 WT6 H ATOM 54252 H2 TIP3 721 64.884 40.744 49.642 1.00 0.00 WT6 H ATOM 54253 OH2 TIP3 738 61.228 36.887 3.581 1.00 0.00 WT6 O ATOM 54254 H1 TIP3 738 61.507 37.669 4.057 1.00 0.00 WT6 H ATOM 54255 H2 TIP3 738 60.531 36.513 4.121 1.00 0.00 WT6 H ATOM 54256 OH2 TIP3 746 89.313 49.034 -15.198 1.00 0.00 WT6 O ATOM 54257 H1 TIP3 746 89.093 48.103 -15.214 1.00 0.00 WT6 H ATOM 54258 H2 TIP3 746 90.268 49.053 -15.134 1.00 0.00 WT6 H ATOM 54259 OH2 TIP3 766 37.847 32.277 -4.799 1.00 0.00 WT6 O ATOM 54260 H1 TIP3 766 38.032 32.613 -5.676 1.00 0.00 WT6 H ATOM 54261 H2 TIP3 766 38.242 32.918 -4.208 1.00 0.00 WT6 H ATOM 54262 OH2 TIP3 778 21.601 15.906 -19.791 1.00 0.00 WT6 O ATOM 54263 H1 TIP3 778 21.121 15.466 -19.089 1.00 0.00 WT6 H ATOM 54264 H2 TIP3 778 22.513 15.892 -19.504 1.00 0.00 WT6 H ATOM 54265 OH2 TIP3 779 45.882 95.397 -9.492 1.00 0.00 WT6 O ATOM 54266 H1 TIP3 779 46.805 95.194 -9.338 1.00 0.00 WT6 H ATOM 54267 H2 TIP3 779 45.470 95.308 -8.632 1.00 0.00 WT6 H ATOM 54268 OH2 TIP3 807 80.356 51.120 53.773 1.00 0.00 WT6 O ATOM 54269 H1 TIP3 807 80.819 51.188 52.939 1.00 0.00 WT6 H ATOM 54270 H2 TIP3 807 80.408 51.998 54.150 1.00 0.00 WT6 H ATOM 54271 OH2 TIP3 822 49.121 81.302 -15.485 1.00 0.00 WT6 O ATOM 54272 H1 TIP3 822 49.232 81.967 -14.805 1.00 0.00 WT6 H ATOM 54273 H2 TIP3 822 49.686 80.580 -15.209 1.00 0.00 WT6 H ATOM 54274 OH2 TIP3 824 52.822 40.716 60.854 1.00 0.00 WT6 O ATOM 54275 H1 TIP3 824 52.967 40.818 59.914 1.00 0.00 WT6 H ATOM 54276 H2 TIP3 824 51.909 40.972 60.986 1.00 0.00 WT6 H ATOM 54277 OH2 TIP3 843 85.340 73.169 59.414 1.00 0.00 WT6 O ATOM 54278 H1 TIP3 843 85.864 72.374 59.321 1.00 0.00 WT6 H ATOM 54279 H2 TIP3 843 85.955 73.883 59.249 1.00 0.00 WT6 H ATOM 54280 OH2 TIP3 846 86.496 94.355 -4.134 1.00 0.00 WT6 O ATOM 54281 H1 TIP3 846 85.644 94.769 -3.993 1.00 0.00 WT6 H ATOM 54282 H2 TIP3 846 86.765 94.057 -3.266 1.00 0.00 WT6 H ATOM 54283 OH2 TIP3 892 31.767 14.698 -17.486 1.00 0.00 WT6 O ATOM 54284 H1 TIP3 892 31.683 15.279 -18.242 1.00 0.00 WT6 H ATOM 54285 H2 TIP3 892 32.465 15.086 -16.960 1.00 0.00 WT6 H ATOM 54286 OH2 TIP3 908 85.870 9.009 50.759 1.00 0.00 WT6 O ATOM 54287 H1 TIP3 908 85.717 9.247 49.845 1.00 0.00 WT6 H ATOM 54288 H2 TIP3 908 86.766 8.672 50.774 1.00 0.00 WT6 H ATOM 54289 OH2 TIP3 928 76.723 31.690 47.297 1.00 0.00 WT6 O ATOM 54290 H1 TIP3 928 76.573 31.816 46.360 1.00 0.00 WT6 H ATOM 54291 H2 TIP3 928 76.428 32.507 47.698 1.00 0.00 WT6 H ATOM 54292 OH2 TIP3 930 70.090 82.885 -2.773 1.00 0.00 WT6 O ATOM 54293 H1 TIP3 930 70.277 81.969 -2.570 1.00 0.00 WT6 H ATOM 54294 H2 TIP3 930 69.179 83.009 -2.505 1.00 0.00 WT6 H ATOM 54295 OH2 TIP3 969 62.199 27.232 -10.327 1.00 0.00 WT6 O ATOM 54296 H1 TIP3 969 62.310 26.838 -11.192 1.00 0.00 WT6 H ATOM 54297 H2 TIP3 969 61.357 27.685 -10.376 1.00 0.00 WT6 H ATOM 54298 OH2 TIP3 987 57.847 10.798 -11.211 1.00 0.00 WT6 O ATOM 54299 H1 TIP3 987 57.466 11.667 -11.334 1.00 0.00 WT6 H ATOM 54300 H2 TIP3 987 57.168 10.193 -11.511 1.00 0.00 WT6 H ATOM 54301 OH2 TIP3 1013 26.856 2.147 55.454 1.00 0.00 WT6 O ATOM 54302 H1 TIP3 1013 27.132 2.714 54.734 1.00 0.00 WT6 H ATOM 54303 H2 TIP3 1013 26.684 2.747 56.180 1.00 0.00 WT6 H ATOM 54304 OH2 TIP3 1018 73.616 10.877 9.205 1.00 0.00 WT6 O ATOM 54305 H1 TIP3 1018 73.894 10.875 8.289 1.00 0.00 WT6 H ATOM 54306 H2 TIP3 1018 73.600 11.802 9.449 1.00 0.00 WT6 H ATOM 54307 OH2 TIP3 1076 72.740 38.591 16.505 1.00 0.00 WT6 O ATOM 54308 H1 TIP3 1076 71.979 38.645 17.084 1.00 0.00 WT6 H ATOM 54309 H2 TIP3 1076 72.539 37.868 15.911 1.00 0.00 WT6 H ATOM 54310 OH2 TIP3 1077 72.650 46.428 57.486 1.00 0.00 WT6 O ATOM 54311 H1 TIP3 1077 72.183 46.982 56.861 1.00 0.00 WT6 H ATOM 54312 H2 TIP3 1077 73.415 46.945 57.741 1.00 0.00 WT6 H ATOM 54313 OH2 TIP3 1098 33.598 11.039 -11.255 1.00 0.00 WT6 O ATOM 54314 H1 TIP3 1098 34.199 10.811 -11.965 1.00 0.00 WT6 H ATOM 54315 H2 TIP3 1098 32.966 10.321 -11.236 1.00 0.00 WT6 H ATOM 54316 OH2 TIP3 1122 45.135 16.406 60.639 1.00 0.00 WT6 O ATOM 54317 H1 TIP3 1122 44.939 15.551 61.022 1.00 0.00 WT6 H ATOM 54318 H2 TIP3 1122 45.984 16.288 60.212 1.00 0.00 WT6 H ATOM 54319 OH2 TIP3 1138 49.476 87.122 49.408 1.00 0.00 WT6 O ATOM 54320 H1 TIP3 1138 48.790 87.150 48.741 1.00 0.00 WT6 H ATOM 54321 H2 TIP3 1138 49.420 86.239 49.773 1.00 0.00 WT6 H ATOM 54322 OH2 TIP3 1163 54.939 25.344 37.128 1.00 0.00 WT6 O ATOM 54323 H1 TIP3 1163 55.724 25.014 37.565 1.00 0.00 WT6 H ATOM 54324 H2 TIP3 1163 55.052 26.294 37.118 1.00 0.00 WT6 H ATOM 54325 OH2 TIP3 1240 57.702 55.489 -1.813 1.00 0.00 WT6 O ATOM 54326 H1 TIP3 1240 57.866 56.153 -1.144 1.00 0.00 WT6 H ATOM 54327 H2 TIP3 1240 57.623 54.670 -1.324 1.00 0.00 WT6 H ATOM 54328 OH2 TIP3 1258 82.376 74.075 53.100 1.00 0.00 WT6 O ATOM 54329 H1 TIP3 1258 83.253 74.459 53.097 1.00 0.00 WT6 H ATOM 54330 H2 TIP3 1258 81.925 74.502 52.372 1.00 0.00 WT6 H ATOM 54331 OH2 TIP3 1281 52.466 75.160 -14.302 1.00 0.00 WT6 O ATOM 54332 H1 TIP3 1281 53.034 74.687 -13.694 1.00 0.00 WT6 H ATOM 54333 H2 TIP3 1281 51.580 74.999 -13.978 1.00 0.00 WT6 H ATOM 54334 OH2 TIP3 1285 81.644 74.485 30.627 1.00 0.00 WT6 O ATOM 54335 H1 TIP3 1285 81.047 73.744 30.731 1.00 0.00 WT6 H ATOM 54336 H2 TIP3 1285 81.572 74.969 31.450 1.00 0.00 WT6 H ATOM 54337 OH2 TIP3 1301 68.746 4.325 59.008 1.00 0.00 WT6 O ATOM 54338 H1 TIP3 1301 68.131 5.057 59.036 1.00 0.00 WT6 H ATOM 54339 H2 TIP3 1301 68.506 3.839 58.219 1.00 0.00 WT6 H ATOM 54340 OH2 TIP3 1303 34.953 25.319 -10.013 1.00 0.00 WT6 O ATOM 54341 H1 TIP3 1303 34.380 25.968 -10.420 1.00 0.00 WT6 H ATOM 54342 H2 TIP3 1303 35.516 25.015 -10.725 1.00 0.00 WT6 H ATOM 54343 OH2 TIP3 1345 39.459 20.056 2.199 1.00 0.00 WT6 O ATOM 54344 H1 TIP3 1345 40.008 19.287 2.356 1.00 0.00 WT6 H ATOM 54345 H2 TIP3 1345 39.653 20.642 2.931 1.00 0.00 WT6 H ATOM 54346 OH2 TIP3 1354 31.419 76.696 22.586 1.00 0.00 WT6 O ATOM 54347 H1 TIP3 1354 30.958 77.433 22.988 1.00 0.00 WT6 H ATOM 54348 H2 TIP3 1354 30.962 75.921 22.911 1.00 0.00 WT6 H ATOM 54349 OH2 TIP3 1370 71.155 51.019 55.304 1.00 0.00 WT6 O ATOM 54350 H1 TIP3 1370 70.701 51.861 55.270 1.00 0.00 WT6 H ATOM 54351 H2 TIP3 1370 70.794 50.583 56.076 1.00 0.00 WT6 H ATOM 54352 OH2 TIP3 1373 80.271 5.380 37.806 1.00 0.00 WT6 O ATOM 54353 H1 TIP3 1373 79.697 6.135 37.680 1.00 0.00 WT6 H ATOM 54354 H2 TIP3 1373 80.945 5.688 38.412 1.00 0.00 WT6 H ATOM 54355 OH2 TIP3 1387 21.642 71.416 67.001 1.00 0.00 WT6 O ATOM 54356 H1 TIP3 1387 21.953 71.560 67.894 1.00 0.00 WT6 H ATOM 54357 H2 TIP3 1387 21.165 72.216 66.781 1.00 0.00 WT6 H ATOM 54358 OH2 TIP3 1408 80.329 80.141 42.973 1.00 0.00 WT6 O ATOM 54359 H1 TIP3 1408 81.163 80.477 43.302 1.00 0.00 WT6 H ATOM 54360 H2 TIP3 1408 80.392 79.192 43.085 1.00 0.00 WT6 H ATOM 54361 OH2 TIP3 1414 22.589 64.521 55.107 1.00 0.00 WT6 O ATOM 54362 H1 TIP3 1414 23.487 64.642 54.797 1.00 0.00 WT6 H ATOM 54363 H2 TIP3 1414 22.153 65.350 54.908 1.00 0.00 WT6 H ATOM 54364 OH2 TIP3 1429 90.106 80.803 25.582 1.00 0.00 WT6 O ATOM 54365 H1 TIP3 1429 89.239 80.557 25.258 1.00 0.00 WT6 H ATOM 54366 H2 TIP3 1429 90.528 79.971 25.794 1.00 0.00 WT6 H ATOM 54367 OH2 TIP3 1433 35.879 60.338 53.035 1.00 0.00 WT6 O ATOM 54368 H1 TIP3 1433 35.911 60.937 53.781 1.00 0.00 WT6 H ATOM 54369 H2 TIP3 1433 36.299 60.819 52.322 1.00 0.00 WT6 H ATOM 54370 OH2 TIP3 1440 60.337 68.635 -16.829 1.00 0.00 WT6 O ATOM 54371 H1 TIP3 1440 59.917 67.781 -16.928 1.00 0.00 WT6 H ATOM 54372 H2 TIP3 1440 61.020 68.492 -16.174 1.00 0.00 WT6 H ATOM 54373 OH2 TIP3 1451 69.576 38.499 59.306 1.00 0.00 WT6 O ATOM 54374 H1 TIP3 1451 68.637 38.627 59.174 1.00 0.00 WT6 H ATOM 54375 H2 TIP3 1451 69.860 37.999 58.541 1.00 0.00 WT6 H ATOM 54376 OH2 TIP3 1466 72.930 9.328 -14.949 1.00 0.00 WT6 O ATOM 54377 H1 TIP3 1466 72.082 9.371 -14.507 1.00 0.00 WT6 H ATOM 54378 H2 TIP3 1466 73.514 8.921 -14.310 1.00 0.00 WT6 H ATOM 54379 OH2 TIP3 1477 21.943 75.517 44.675 1.00 0.00 WT6 O ATOM 54380 H1 TIP3 1477 22.778 75.055 44.758 1.00 0.00 WT6 H ATOM 54381 H2 TIP3 1477 21.511 75.100 43.929 1.00 0.00 WT6 H ATOM 54382 OH2 TIP3 1480 54.223 8.837 -2.018 1.00 0.00 WT6 O ATOM 54383 H1 TIP3 1480 54.935 8.684 -2.639 1.00 0.00 WT6 H ATOM 54384 H2 TIP3 1480 54.613 8.665 -1.160 1.00 0.00 WT6 H ATOM 54385 OH2 TIP3 1492 20.398 59.156 -7.396 1.00 0.00 WT6 O ATOM 54386 H1 TIP3 1492 20.812 59.528 -8.176 1.00 0.00 WT6 H ATOM 54387 H2 TIP3 1492 21.128 58.955 -6.811 1.00 0.00 WT6 H ATOM 54388 OH2 TIP3 1573 71.097 90.817 28.124 1.00 0.00 WT6 O ATOM 54389 H1 TIP3 1573 71.210 91.200 27.254 1.00 0.00 WT6 H ATOM 54390 H2 TIP3 1573 70.595 90.017 27.970 1.00 0.00 WT6 H ATOM 54391 OH2 TIP3 1599 61.308 57.497 -14.866 1.00 0.00 WT6 O ATOM 54392 H1 TIP3 1599 61.095 57.137 -14.006 1.00 0.00 WT6 H ATOM 54393 H2 TIP3 1599 62.159 57.919 -14.745 1.00 0.00 WT6 H ATOM 54394 OH2 TIP3 1618 56.615 36.769 66.323 1.00 0.00 WT6 O ATOM 54395 H1 TIP3 1618 56.326 36.447 65.470 1.00 0.00 WT6 H ATOM 54396 H2 TIP3 1618 56.083 36.286 66.955 1.00 0.00 WT6 H ATOM 54397 OH2 TIP3 1624 43.726 73.472 48.702 1.00 0.00 WT6 O ATOM 54398 H1 TIP3 1624 42.805 73.270 48.536 1.00 0.00 WT6 H ATOM 54399 H2 TIP3 1624 44.158 73.336 47.859 1.00 0.00 WT6 H ATOM 54400 OH2 TIP3 1625 68.022 89.302 6.448 1.00 0.00 WT6 O ATOM 54401 H1 TIP3 1625 67.186 89.665 6.743 1.00 0.00 WT6 H ATOM 54402 H2 TIP3 1625 68.498 89.109 7.256 1.00 0.00 WT6 H ATOM 54403 OH2 TIP3 1648 77.406 50.036 55.562 1.00 0.00 WT6 O ATOM 54404 H1 TIP3 1648 77.632 50.543 54.782 1.00 0.00 WT6 H ATOM 54405 H2 TIP3 1648 76.641 50.483 55.926 1.00 0.00 WT6 H ATOM 54406 OH2 TIP3 1656 37.368 42.136 6.490 1.00 0.00 WT6 O ATOM 54407 H1 TIP3 1656 37.696 43.014 6.685 1.00 0.00 WT6 H ATOM 54408 H2 TIP3 1656 37.398 41.677 7.329 1.00 0.00 WT6 H ATOM 54409 OH2 TIP3 1664 51.544 27.346 64.819 1.00 0.00 WT6 O ATOM 54410 H1 TIP3 1664 50.939 27.211 65.549 1.00 0.00 WT6 H ATOM 54411 H2 TIP3 1664 50.997 27.270 64.037 1.00 0.00 WT6 H ATOM 54412 OH2 TIP3 1691 21.163 1.173 3.601 1.00 0.00 WT6 O ATOM 54413 H1 TIP3 1691 20.785 0.329 3.847 1.00 0.00 WT6 H ATOM 54414 H2 TIP3 1691 20.570 1.822 3.980 1.00 0.00 WT6 H ATOM 54415 OH2 TIP3 1706 24.535 48.796 18.591 1.00 0.00 WT6 O ATOM 54416 H1 TIP3 1706 24.896 49.543 19.067 1.00 0.00 WT6 H ATOM 54417 H2 TIP3 1706 23.586 48.898 18.669 1.00 0.00 WT6 H ATOM 54418 OH2 TIP3 1725 66.773 2.890 27.658 1.00 0.00 WT6 O ATOM 54419 H1 TIP3 1725 67.722 3.014 27.650 1.00 0.00 WT6 H ATOM 54420 H2 TIP3 1725 66.556 2.757 28.580 1.00 0.00 WT6 H ATOM 54421 OH2 TIP3 1733 45.491 76.677 63.006 1.00 0.00 WT6 O ATOM 54422 H1 TIP3 1733 44.654 77.140 63.005 1.00 0.00 WT6 H ATOM 54423 H2 TIP3 1733 46.131 77.340 63.265 1.00 0.00 WT6 H ATOM 54424 OH2 TIP3 1751 41.320 20.353 42.317 1.00 0.00 WT6 O ATOM 54425 H1 TIP3 1751 41.289 20.159 41.380 1.00 0.00 WT6 H ATOM 54426 H2 TIP3 1751 41.552 19.519 42.727 1.00 0.00 WT6 H ATOM 54427 OH2 TIP3 1769 53.629 70.938 27.774 1.00 0.00 WT6 O ATOM 54428 H1 TIP3 1769 52.841 70.585 28.187 1.00 0.00 WT6 H ATOM 54429 H2 TIP3 1769 53.330 71.256 26.922 1.00 0.00 WT6 H ATOM 54430 OH2 TIP3 1771 27.511 90.231 30.842 1.00 0.00 WT6 O ATOM 54431 H1 TIP3 1771 26.847 90.528 30.221 1.00 0.00 WT6 H ATOM 54432 H2 TIP3 1771 27.999 91.023 31.069 1.00 0.00 WT6 H ATOM 54433 OH2 TIP3 1849 55.286 19.224 25.947 1.00 0.00 WT6 O ATOM 54434 H1 TIP3 1849 54.426 18.911 26.228 1.00 0.00 WT6 H ATOM 54435 H2 TIP3 1849 55.189 20.175 25.892 1.00 0.00 WT6 H ATOM 54436 OH2 TIP3 1853 68.785 65.556 16.492 1.00 0.00 WT6 O ATOM 54437 H1 TIP3 1853 68.656 65.266 15.589 1.00 0.00 WT6 H ATOM 54438 H2 TIP3 1853 68.441 64.840 17.025 1.00 0.00 WT6 H ATOM 54439 OH2 TIP3 1892 58.340 49.191 -8.444 1.00 0.00 WT6 O ATOM 54440 H1 TIP3 1892 58.803 48.748 -9.155 1.00 0.00 WT6 H ATOM 54441 H2 TIP3 1892 57.414 49.023 -8.618 1.00 0.00 WT6 H ATOM 54442 OH2 TIP3 1897 40.014 37.854 19.299 1.00 0.00 WT6 O ATOM 54443 H1 TIP3 1897 40.653 37.708 19.997 1.00 0.00 WT6 H ATOM 54444 H2 TIP3 1897 40.223 37.192 18.640 1.00 0.00 WT6 H ATOM 54445 OH2 TIP3 1918 36.744 28.568 59.067 1.00 0.00 WT6 O ATOM 54446 H1 TIP3 1918 36.443 29.234 59.685 1.00 0.00 WT6 H ATOM 54447 H2 TIP3 1918 36.785 27.763 59.583 1.00 0.00 WT6 H ATOM 54448 OH2 TIP3 1978 65.884 43.901 65.199 1.00 0.00 WT6 O ATOM 54449 H1 TIP3 1978 65.895 44.295 66.071 1.00 0.00 WT6 H ATOM 54450 H2 TIP3 1978 65.630 42.990 65.350 1.00 0.00 WT6 H ATOM 54451 OH2 TIP3 2000 45.626 26.112 -19.257 1.00 0.00 WT6 O ATOM 54452 H1 TIP3 2000 46.187 25.981 -18.493 1.00 0.00 WT6 H ATOM 54453 H2 TIP3 2000 45.124 26.902 -19.054 1.00 0.00 WT6 H ATOM 54454 OH2 TIP3 2022 25.828 41.577 32.272 1.00 0.00 WT6 O ATOM 54455 H1 TIP3 2022 25.404 42.274 31.771 1.00 0.00 WT6 H ATOM 54456 H2 TIP3 2022 26.129 40.955 31.610 1.00 0.00 WT6 H ATOM 54457 OH2 TIP3 2083 29.224 80.569 14.079 1.00 0.00 WT6 O ATOM 54458 H1 TIP3 2083 29.321 80.255 14.978 1.00 0.00 WT6 H ATOM 54459 H2 TIP3 2083 29.810 81.323 14.023 1.00 0.00 WT6 H ATOM 54460 OH2 TIP3 2085 42.176 31.121 -6.949 1.00 0.00 WT6 O ATOM 54461 H1 TIP3 2085 42.052 30.183 -7.094 1.00 0.00 WT6 H ATOM 54462 H2 TIP3 2085 42.698 31.173 -6.149 1.00 0.00 WT6 H ATOM 54463 OH2 TIP3 2108 23.067 32.394 60.270 1.00 0.00 WT6 O ATOM 54464 H1 TIP3 2108 23.640 33.142 60.441 1.00 0.00 WT6 H ATOM 54465 H2 TIP3 2108 22.696 32.176 61.126 1.00 0.00 WT6 H ATOM 54466 OH2 TIP3 2150 23.962 82.822 38.542 1.00 0.00 WT6 O ATOM 54467 H1 TIP3 2150 24.806 82.741 38.097 1.00 0.00 WT6 H ATOM 54468 H2 TIP3 2150 23.369 82.268 38.034 1.00 0.00 WT6 H ATOM 54469 OH2 TIP3 2183 63.053 0.281 4.354 1.00 0.00 WT6 O ATOM 54470 H1 TIP3 2183 62.853 -0.634 4.156 1.00 0.00 WT6 H ATOM 54471 H2 TIP3 2183 63.822 0.479 3.820 1.00 0.00 WT6 H ATOM 54472 OH2 TIP3 2190 26.007 66.641 3.462 1.00 0.00 WT6 O ATOM 54473 H1 TIP3 2190 25.131 67.008 3.583 1.00 0.00 WT6 H ATOM 54474 H2 TIP3 2190 26.220 66.242 4.306 1.00 0.00 WT6 H ATOM 54475 OH2 TIP3 2231 46.252 80.322 55.491 1.00 0.00 WT6 O ATOM 54476 H1 TIP3 2231 46.128 79.801 54.697 1.00 0.00 WT6 H ATOM 54477 H2 TIP3 2231 45.609 79.976 56.109 1.00 0.00 WT6 H ATOM 54478 OH2 TIP3 2270 36.242 16.406 -3.956 1.00 0.00 WT6 O ATOM 54479 H1 TIP3 2270 36.718 15.825 -4.549 1.00 0.00 WT6 H ATOM 54480 H2 TIP3 2270 36.852 17.124 -3.783 1.00 0.00 WT6 H ATOM 54481 OH2 TIP3 2288 50.266 45.948 7.811 1.00 0.00 WT6 O ATOM 54482 H1 TIP3 2288 51.168 45.735 7.570 1.00 0.00 WT6 H ATOM 54483 H2 TIP3 2288 49.971 45.197 8.326 1.00 0.00 WT6 H ATOM 54484 OH2 TIP3 2290 65.296 54.120 55.832 1.00 0.00 WT6 O ATOM 54485 H1 TIP3 2290 65.019 55.036 55.845 1.00 0.00 WT6 H ATOM 54486 H2 TIP3 2290 64.539 53.645 55.489 1.00 0.00 WT6 H ATOM 54487 OH2 TIP3 2293 44.944 8.149 22.219 1.00 0.00 WT6 O ATOM 54488 H1 TIP3 2293 45.476 8.072 21.427 1.00 0.00 WT6 H ATOM 54489 H2 TIP3 2293 44.121 7.714 21.999 1.00 0.00 WT6 H ATOM 54490 OH2 TIP3 2317 73.963 39.679 65.398 1.00 0.00 WT6 O ATOM 54491 H1 TIP3 2317 74.495 39.885 66.166 1.00 0.00 WT6 H ATOM 54492 H2 TIP3 2317 73.157 40.179 65.522 1.00 0.00 WT6 H ATOM 54493 OH2 TIP3 2357 21.510 29.928 55.681 1.00 0.00 WT6 O ATOM 54494 H1 TIP3 2357 22.292 30.468 55.797 1.00 0.00 WT6 H ATOM 54495 H2 TIP3 2357 20.975 30.412 55.053 1.00 0.00 WT6 H ATOM 54496 OH2 TIP3 2358 22.723 1.998 55.053 1.00 0.00 WT6 O ATOM 54497 H1 TIP3 2358 22.686 2.859 55.469 1.00 0.00 WT6 H ATOM 54498 H2 TIP3 2358 22.843 2.187 54.122 1.00 0.00 WT6 H ATOM 54499 OH2 TIP3 2500 37.012 34.283 40.854 1.00 0.00 WT6 O ATOM 54500 H1 TIP3 2500 36.175 34.160 41.302 1.00 0.00 WT6 H ATOM 54501 H2 TIP3 2500 36.997 33.645 40.140 1.00 0.00 WT6 H ATOM 54502 OH2 TIP3 2521 44.215 96.013 42.161 1.00 0.00 WT6 O ATOM 54503 H1 TIP3 2521 44.748 95.816 42.931 1.00 0.00 WT6 H ATOM 54504 H2 TIP3 2521 44.662 95.570 41.440 1.00 0.00 WT6 H ATOM 54505 OH2 TIP3 2524 27.855 53.792 -13.858 1.00 0.00 WT6 O ATOM 54506 H1 TIP3 2524 26.996 53.478 -13.577 1.00 0.00 WT6 H ATOM 54507 H2 TIP3 2524 27.702 54.164 -14.727 1.00 0.00 WT6 H ATOM 54508 OH2 TIP3 2525 84.864 53.210 41.073 1.00 0.00 WT6 O ATOM 54509 H1 TIP3 2525 85.404 52.889 40.351 1.00 0.00 WT6 H ATOM 54510 H2 TIP3 2525 85.034 54.151 41.101 1.00 0.00 WT6 H ATOM 54511 OH2 TIP3 2570 28.470 40.749 50.634 1.00 0.00 WT6 O ATOM 54512 H1 TIP3 2570 28.323 40.667 49.691 1.00 0.00 WT6 H ATOM 54513 H2 TIP3 2570 27.593 40.723 51.017 1.00 0.00 WT6 H ATOM 54514 OH2 TIP3 2714 36.811 11.956 -5.938 1.00 0.00 WT6 O ATOM 54515 H1 TIP3 2714 36.087 11.331 -5.908 1.00 0.00 WT6 H ATOM 54516 H2 TIP3 2714 37.471 11.533 -6.489 1.00 0.00 WT6 H ATOM 54517 OH2 TIP3 2781 62.234 71.835 66.953 1.00 0.00 WT6 O ATOM 54518 H1 TIP3 2781 62.740 71.032 67.069 1.00 0.00 WT6 H ATOM 54519 H2 TIP3 2781 62.114 72.174 67.840 1.00 0.00 WT6 H ATOM 54520 OH2 TIP3 2802 31.542 54.311 31.991 1.00 0.00 WT6 O ATOM 54521 H1 TIP3 2802 31.834 55.085 32.473 1.00 0.00 WT6 H ATOM 54522 H2 TIP3 2802 32.093 54.294 31.208 1.00 0.00 WT6 H ATOM 54523 OH2 TIP3 3029 44.549 41.829 40.965 1.00 0.00 WT6 O ATOM 54524 H1 TIP3 3029 44.607 41.545 40.052 1.00 0.00 WT6 H ATOM 54525 H2 TIP3 3029 43.674 41.560 41.245 1.00 0.00 WT6 H ATOM 54526 OH2 TIP3 5421 26.371 26.429 15.633 1.00 0.00 WT6 O ATOM 54527 H1 TIP3 5421 25.506 26.808 15.789 1.00 0.00 WT6 H ATOM 54528 H2 TIP3 5421 26.940 27.184 15.482 1.00 0.00 WT6 H ATOM 54529 OH2 TIP3 6240 47.446 13.159 -19.282 1.00 0.00 WT6 O ATOM 54530 H1 TIP3 6240 47.826 13.012 -20.149 1.00 0.00 WT6 H ATOM 54531 H2 TIP3 6240 46.742 13.790 -19.432 1.00 0.00 WT6 H ATOM 54532 OH2 TIP3 6350 79.342 90.622 15.200 1.00 0.00 WT6 O ATOM 54533 H1 TIP3 6350 79.040 90.718 16.103 1.00 0.00 WT6 H ATOM 54534 H2 TIP3 6350 79.781 89.772 15.184 1.00 0.00 WT6 H ATOM 54535 OH2 TIP3 6671 42.475 95.231 3.104 1.00 0.00 WT6 O ATOM 54536 H1 TIP3 6671 41.978 96.038 2.968 1.00 0.00 WT6 H ATOM 54537 H2 TIP3 6671 41.829 94.532 3.004 1.00 0.00 WT6 H ATOM 54538 OH2 TIP3 6980 49.444 18.234 47.597 1.00 0.00 WT6 O ATOM 54539 H1 TIP3 6980 48.945 17.811 48.296 1.00 0.00 WT6 H ATOM 54540 H2 TIP3 6980 49.922 17.518 47.178 1.00 0.00 WT6 H ATOM 54541 OH2 TIP3 7563 83.651 88.954 59.474 1.00 0.00 WT6 O ATOM 54542 H1 TIP3 7563 84.368 88.340 59.627 1.00 0.00 WT6 H ATOM 54543 H2 TIP3 7563 84.082 89.796 59.326 1.00 0.00 WT6 H ATOM 54544 OH2 TIP3 7583 86.989 92.909 -11.050 1.00 0.00 WT6 O ATOM 54545 H1 TIP3 7583 86.898 93.577 -11.729 1.00 0.00 WT6 H ATOM 54546 H2 TIP3 7583 86.546 92.140 -11.409 1.00 0.00 WT6 H ATOM 54547 OH2 TIP3 7603 77.225 24.073 42.334 1.00 0.00 WT6 O ATOM 54548 H1 TIP3 7603 76.314 24.364 42.328 1.00 0.00 WT6 H ATOM 54549 H2 TIP3 7603 77.301 23.507 41.565 1.00 0.00 WT6 H ATOM 54550 OH2 TIP3 7607 68.415 15.679 14.077 1.00 0.00 WT6 O ATOM 54551 H1 TIP3 7607 68.298 14.767 13.811 1.00 0.00 WT6 H ATOM 54552 H2 TIP3 7607 67.547 15.958 14.368 1.00 0.00 WT6 H ATOM 54553 OH2 TIP3 7630 62.388 21.384 9.321 1.00 0.00 WT6 O ATOM 54554 H1 TIP3 7630 61.819 20.845 9.870 1.00 0.00 WT6 H ATOM 54555 H2 TIP3 7630 62.076 21.230 8.429 1.00 0.00 WT6 H ATOM 54556 OH2 TIP3 7631 42.766 12.522 48.378 1.00 0.00 WT6 O ATOM 54557 H1 TIP3 7631 43.661 12.861 48.354 1.00 0.00 WT6 H ATOM 54558 H2 TIP3 7631 42.506 12.600 49.296 1.00 0.00 WT6 H ATOM 54559 OH2 TIP3 7647 28.662 31.419 15.248 1.00 0.00 WT6 O ATOM 54560 H1 TIP3 7647 28.043 31.977 14.777 1.00 0.00 WT6 H ATOM 54561 H2 TIP3 7647 28.886 31.918 16.033 1.00 0.00 WT6 H ATOM 54562 OH2 TIP3 7650 82.996 68.767 35.862 1.00 0.00 WT6 O ATOM 54563 H1 TIP3 7650 82.810 67.858 35.628 1.00 0.00 WT6 H ATOM 54564 H2 TIP3 7650 83.798 68.980 35.384 1.00 0.00 WT6 H ATOM 54565 OH2 TIP3 7707 71.889 6.738 48.205 1.00 0.00 WT6 O ATOM 54566 H1 TIP3 7707 72.185 7.064 49.055 1.00 0.00 WT6 H ATOM 54567 H2 TIP3 7707 72.662 6.797 47.643 1.00 0.00 WT6 H ATOM 54568 OH2 TIP3 7748 38.085 53.387 42.190 1.00 0.00 WT6 O ATOM 54569 H1 TIP3 7748 37.869 54.300 42.379 1.00 0.00 WT6 H ATOM 54570 H2 TIP3 7748 38.101 53.337 41.234 1.00 0.00 WT6 H ATOM 54571 OH2 TIP3 7833 45.855 29.949 62.922 1.00 0.00 WT6 O ATOM 54572 H1 TIP3 7833 45.630 30.435 63.715 1.00 0.00 WT6 H ATOM 54573 H2 TIP3 7833 45.157 29.300 62.831 1.00 0.00 WT6 H ATOM 54574 OH2 TIP3 7944 34.927 80.229 63.238 1.00 0.00 WT6 O ATOM 54575 H1 TIP3 7944 34.693 79.794 62.419 1.00 0.00 WT6 H ATOM 54576 H2 TIP3 7944 35.513 79.613 63.678 1.00 0.00 WT6 H ATOM 54577 OH2 TIP3 7959 21.515 71.732 3.563 1.00 0.00 WT6 O ATOM 54578 H1 TIP3 7959 21.176 70.840 3.490 1.00 0.00 WT6 H ATOM 54579 H2 TIP3 7959 22.040 71.725 4.363 1.00 0.00 WT6 H ATOM 54580 OH2 TIP3 7979 61.487 91.653 18.582 1.00 0.00 WT6 O ATOM 54581 H1 TIP3 7979 62.210 91.028 18.522 1.00 0.00 WT6 H ATOM 54582 H2 TIP3 7979 61.794 92.422 18.102 1.00 0.00 WT6 H ATOM 54583 OH2 TIP3 7985 71.645 3.651 -7.587 1.00 0.00 WT6 O ATOM 54584 H1 TIP3 7985 71.971 3.955 -8.434 1.00 0.00 WT6 H ATOM 54585 H2 TIP3 7985 70.742 3.384 -7.759 1.00 0.00 WT6 H ATOM 54586 OH2 TIP3 8023 77.362 89.400 22.624 1.00 0.00 WT6 O ATOM 54587 H1 TIP3 8023 76.586 89.501 23.175 1.00 0.00 WT6 H ATOM 54588 H2 TIP3 8023 77.250 88.547 22.205 1.00 0.00 WT6 H ATOM 54589 OH2 TIP3 8024 41.101 39.111 61.105 1.00 0.00 WT6 O ATOM 54590 H1 TIP3 8024 40.643 38.270 61.115 1.00 0.00 WT6 H ATOM 54591 H2 TIP3 8024 41.479 39.169 60.228 1.00 0.00 WT6 H ATOM 54592 OH2 TIP3 8046 56.894 36.371 45.075 1.00 0.00 WT6 O ATOM 54593 H1 TIP3 8046 56.312 36.264 44.323 1.00 0.00 WT6 H ATOM 54594 H2 TIP3 8046 57.034 37.316 45.137 1.00 0.00 WT6 H ATOM 54595 OH2 TIP3 8064 86.849 29.626 -0.952 1.00 0.00 WT6 O ATOM 54596 H1 TIP3 8064 86.328 29.826 -0.174 1.00 0.00 WT6 H ATOM 54597 H2 TIP3 8064 87.692 30.049 -0.792 1.00 0.00 WT6 H ATOM 54598 OH2 TIP3 8067 73.707 20.351 37.344 1.00 0.00 WT6 O ATOM 54599 H1 TIP3 8067 73.953 20.050 36.469 1.00 0.00 WT6 H ATOM 54600 H2 TIP3 8067 72.969 20.942 37.196 1.00 0.00 WT6 H ATOM 54601 OH2 TIP3 8068 69.334 74.833 36.792 1.00 0.00 WT6 O ATOM 54602 H1 TIP3 8068 68.387 74.949 36.717 1.00 0.00 WT6 H ATOM 54603 H2 TIP3 8068 69.699 75.696 36.594 1.00 0.00 WT6 H ATOM 54604 OH2 TIP3 8136 57.999 67.519 39.015 1.00 0.00 WT6 O ATOM 54605 H1 TIP3 8136 57.758 66.593 39.049 1.00 0.00 WT6 H ATOM 54606 H2 TIP3 8136 57.412 67.896 38.359 1.00 0.00 WT6 H ATOM 54607 OH2 TIP3 8173 53.421 26.359 -19.527 1.00 0.00 WT6 O ATOM 54608 H1 TIP3 8173 53.587 26.873 -20.318 1.00 0.00 WT6 H ATOM 54609 H2 TIP3 8173 52.729 26.838 -19.071 1.00 0.00 WT6 H ATOM 54610 OH2 TIP3 8174 23.576 49.693 43.701 1.00 0.00 WT6 O ATOM 54611 H1 TIP3 8174 24.311 50.131 43.272 1.00 0.00 WT6 H ATOM 54612 H2 TIP3 8174 22.902 49.638 43.023 1.00 0.00 WT6 H ATOM 54613 OH2 TIP3 8193 60.878 9.106 63.782 1.00 0.00 WT6 O ATOM 54614 H1 TIP3 8193 60.686 9.191 62.848 1.00 0.00 WT6 H ATOM 54615 H2 TIP3 8193 60.857 10.004 64.113 1.00 0.00 WT6 H ATOM 54616 OH2 TIP3 8218 38.877 55.136 50.164 1.00 0.00 WT6 O ATOM 54617 H1 TIP3 8218 38.153 55.757 50.083 1.00 0.00 WT6 H ATOM 54618 H2 TIP3 8218 39.625 55.586 49.772 1.00 0.00 WT6 H ATOM 54619 OH2 TIP3 8260 77.594 66.097 51.443 1.00 0.00 WT6 O ATOM 54620 H1 TIP3 8260 78.063 66.928 51.367 1.00 0.00 WT6 H ATOM 54621 H2 TIP3 8260 77.925 65.567 50.718 1.00 0.00 WT6 H ATOM 54622 OH2 TIP3 8278 75.773 45.506 16.095 1.00 0.00 WT6 O ATOM 54623 H1 TIP3 8278 76.122 45.737 15.235 1.00 0.00 WT6 H ATOM 54624 H2 TIP3 8278 74.988 46.045 16.189 1.00 0.00 WT6 H ATOM 54625 OH2 TIP3 8383 55.834 26.769 46.375 1.00 0.00 WT6 O ATOM 54626 H1 TIP3 8383 55.284 26.017 46.596 1.00 0.00 WT6 H ATOM 54627 H2 TIP3 8383 56.380 26.903 47.149 1.00 0.00 WT6 H ATOM 54628 OH2 TIP3 8403 31.141 12.586 55.438 1.00 0.00 WT6 O ATOM 54629 H1 TIP3 8403 31.346 13.520 55.390 1.00 0.00 WT6 H ATOM 54630 H2 TIP3 8403 31.325 12.254 54.559 1.00 0.00 WT6 H ATOM 54631 OH2 TIP3 8411 44.644 1.264 21.871 1.00 0.00 WT6 O ATOM 54632 H1 TIP3 8411 43.980 1.627 22.456 1.00 0.00 WT6 H ATOM 54633 H2 TIP3 8411 45.307 0.899 22.457 1.00 0.00 WT6 H ATOM 54634 OH2 TIP3 8425 23.610 60.237 24.709 1.00 0.00 WT6 O ATOM 54635 H1 TIP3 8425 24.429 60.609 24.384 1.00 0.00 WT6 H ATOM 54636 H2 TIP3 8425 23.704 60.245 25.661 1.00 0.00 WT6 H ATOM 54637 OH2 TIP3 8466 78.690 78.637 51.201 1.00 0.00 WT6 O ATOM 54638 H1 TIP3 8466 79.589 78.319 51.296 1.00 0.00 WT6 H ATOM 54639 H2 TIP3 8466 78.174 77.849 51.032 1.00 0.00 WT6 H ATOM 54640 OH2 TIP3 8468 42.227 42.963 59.304 1.00 0.00 WT6 O ATOM 54641 H1 TIP3 8468 41.323 42.709 59.119 1.00 0.00 WT6 H ATOM 54642 H2 TIP3 8468 42.151 43.704 59.904 1.00 0.00 WT6 H ATOM 54643 OH2 TIP3 8488 75.232 45.483 -18.969 1.00 0.00 WT6 O ATOM 54644 H1 TIP3 8488 74.978 46.390 -19.137 1.00 0.00 WT6 H ATOM 54645 H2 TIP3 8488 74.724 44.971 -19.599 1.00 0.00 WT6 H ATOM 54646 OH2 TIP3 8534 76.583 83.070 41.871 1.00 0.00 WT6 O ATOM 54647 H1 TIP3 8534 77.423 82.665 41.654 1.00 0.00 WT6 H ATOM 54648 H2 TIP3 8534 76.064 82.359 42.246 1.00 0.00 WT6 H ATOM 54649 OH2 TIP3 8536 34.029 37.456 2.661 1.00 0.00 WT6 O ATOM 54650 H1 TIP3 8536 33.944 36.942 3.464 1.00 0.00 WT6 H ATOM 54651 H2 TIP3 8536 34.972 37.565 2.545 1.00 0.00 WT6 H ATOM 54652 OH2 TIP3 8549 84.701 46.549 43.157 1.00 0.00 WT6 O ATOM 54653 H1 TIP3 8549 84.918 46.662 42.232 1.00 0.00 WT6 H ATOM 54654 H2 TIP3 8549 85.268 45.835 43.451 1.00 0.00 WT6 H ATOM 54655 OH2 TIP3 8556 35.360 10.085 57.438 1.00 0.00 WT6 O ATOM 54656 H1 TIP3 8556 35.489 10.314 58.358 1.00 0.00 WT6 H ATOM 54657 H2 TIP3 8556 34.575 10.568 57.179 1.00 0.00 WT6 H ATOM 54658 OH2 TIP3 8558 85.514 66.021 61.738 1.00 0.00 WT6 O ATOM 54659 H1 TIP3 8558 84.762 66.432 62.164 1.00 0.00 WT6 H ATOM 54660 H2 TIP3 8558 86.244 66.181 62.336 1.00 0.00 WT6 H ATOM 54661 OH2 TIP3 8574 39.996 36.524 60.484 1.00 0.00 WT6 O ATOM 54662 H1 TIP3 8574 39.267 36.824 59.942 1.00 0.00 WT6 H ATOM 54663 H2 TIP3 8574 40.426 35.851 59.956 1.00 0.00 WT6 H ATOM 54664 OH2 TIP3 8653 23.628 53.745 41.252 1.00 0.00 WT6 O ATOM 54665 H1 TIP3 8653 23.149 54.498 41.598 1.00 0.00 WT6 H ATOM 54666 H2 TIP3 8653 24.102 54.089 40.495 1.00 0.00 WT6 H ATOM 54667 OH2 TIP3 8662 89.354 56.573 52.067 1.00 0.00 WT6 O ATOM 54668 H1 TIP3 8662 90.281 56.561 52.304 1.00 0.00 WT6 H ATOM 54669 H2 TIP3 8662 88.893 56.435 52.894 1.00 0.00 WT6 H ATOM 54670 OH2 TIP3 8675 25.640 50.928 -0.822 1.00 0.00 WT6 O ATOM 54671 H1 TIP3 8675 25.924 51.493 -0.103 1.00 0.00 WT6 H ATOM 54672 H2 TIP3 8675 25.316 51.532 -1.489 1.00 0.00 WT6 H ATOM 54673 OH2 TIP3 8679 73.679 59.359 54.907 1.00 0.00 WT6 O ATOM 54674 H1 TIP3 8679 72.734 59.502 54.853 1.00 0.00 WT6 H ATOM 54675 H2 TIP3 8679 73.891 58.856 54.122 1.00 0.00 WT6 H ATOM 54676 OH2 TIP3 8683 70.278 79.326 0.681 1.00 0.00 WT6 O ATOM 54677 H1 TIP3 8683 70.169 78.474 1.105 1.00 0.00 WT6 H ATOM 54678 H2 TIP3 8683 69.996 79.960 1.340 1.00 0.00 WT6 H ATOM 54679 OH2 TIP3 8691 80.720 37.110 -10.477 1.00 0.00 WT6 O ATOM 54680 H1 TIP3 8691 81.482 36.827 -9.972 1.00 0.00 WT6 H ATOM 54681 H2 TIP3 8691 80.166 37.564 -9.842 1.00 0.00 WT6 H ATOM 54682 OH2 TIP3 8695 33.348 73.274 28.408 1.00 0.00 WT6 O ATOM 54683 H1 TIP3 8695 34.195 72.846 28.286 1.00 0.00 WT6 H ATOM 54684 H2 TIP3 8695 33.374 73.606 29.306 1.00 0.00 WT6 H ATOM 54685 OH2 TIP3 8699 78.959 52.913 6.866 1.00 0.00 WT6 O ATOM 54686 H1 TIP3 8699 79.100 52.149 7.424 1.00 0.00 WT6 H ATOM 54687 H2 TIP3 8699 78.082 53.220 7.096 1.00 0.00 WT6 H ATOM 54688 OH2 TIP3 8701 21.976 68.501 25.123 1.00 0.00 WT6 O ATOM 54689 H1 TIP3 8701 22.851 68.719 24.803 1.00 0.00 WT6 H ATOM 54690 H2 TIP3 8701 21.798 67.632 24.763 1.00 0.00 WT6 H ATOM 54691 OH2 TIP3 8721 45.208 21.108 45.578 1.00 0.00 WT6 O ATOM 54692 H1 TIP3 8721 44.682 21.358 46.338 1.00 0.00 WT6 H ATOM 54693 H2 TIP3 8721 45.498 21.940 45.203 1.00 0.00 WT6 H ATOM 54694 OH2 TIP3 8722 63.071 65.706 47.876 1.00 0.00 WT6 O ATOM 54695 H1 TIP3 8722 62.823 64.814 47.632 1.00 0.00 WT6 H ATOM 54696 H2 TIP3 8722 63.979 65.791 47.584 1.00 0.00 WT6 H ATOM 54697 OH2 TIP3 8780 27.148 7.122 51.324 1.00 0.00 WT6 O ATOM 54698 H1 TIP3 8780 26.869 7.698 50.612 1.00 0.00 WT6 H ATOM 54699 H2 TIP3 8780 26.834 7.554 52.119 1.00 0.00 WT6 H ATOM 54700 OH2 TIP3 8800 32.003 96.333 -4.642 1.00 0.00 WT6 O ATOM 54701 H1 TIP3 8800 32.726 95.776 -4.355 1.00 0.00 WT6 H ATOM 54702 H2 TIP3 8800 31.455 96.434 -3.864 1.00 0.00 WT6 H ATOM 54703 OH2 TIP3 8809 21.083 36.965 21.619 1.00 0.00 WT6 O ATOM 54704 H1 TIP3 8809 20.152 36.875 21.415 1.00 0.00 WT6 H ATOM 54705 H2 TIP3 8809 21.201 36.463 22.425 1.00 0.00 WT6 H ATOM 54706 OH2 TIP3 8822 71.872 20.067 -4.219 1.00 0.00 WT6 O ATOM 54707 H1 TIP3 8822 72.798 19.824 -4.211 1.00 0.00 WT6 H ATOM 54708 H2 TIP3 8822 71.778 20.626 -4.990 1.00 0.00 WT6 H ATOM 54709 OH2 TIP3 8829 74.713 20.533 -3.068 1.00 0.00 WT6 O ATOM 54710 H1 TIP3 8829 75.585 20.332 -3.409 1.00 0.00 WT6 H ATOM 54711 H2 TIP3 8829 74.866 21.199 -2.398 1.00 0.00 WT6 H ATOM 54712 OH2 TIP3 8845 64.682 34.975 -4.322 1.00 0.00 WT6 O ATOM 54713 H1 TIP3 8845 64.637 34.020 -4.261 1.00 0.00 WT6 H ATOM 54714 H2 TIP3 8845 65.613 35.178 -4.225 1.00 0.00 WT6 H ATOM 54715 OH2 TIP3 8890 79.045 54.550 43.455 1.00 0.00 WT6 O ATOM 54716 H1 TIP3 8890 79.286 54.936 42.613 1.00 0.00 WT6 H ATOM 54717 H2 TIP3 8890 78.131 54.805 43.583 1.00 0.00 WT6 H ATOM 54718 OH2 TIP3 8927 37.038 18.321 21.963 1.00 0.00 WT6 O ATOM 54719 H1 TIP3 8927 37.080 18.175 21.018 1.00 0.00 WT6 H ATOM 54720 H2 TIP3 8927 37.844 17.932 22.302 1.00 0.00 WT6 H ATOM 54721 OH2 TIP3 8935 58.367 78.334 2.639 1.00 0.00 WT6 O ATOM 54722 H1 TIP3 8935 58.230 77.395 2.510 1.00 0.00 WT6 H ATOM 54723 H2 TIP3 8935 58.146 78.484 3.558 1.00 0.00 WT6 H ATOM 54724 OH2 TIP3 8972 70.595 42.903 30.915 1.00 0.00 WT6 O ATOM 54725 H1 TIP3 8972 70.391 43.334 30.085 1.00 0.00 WT6 H ATOM 54726 H2 TIP3 8972 70.910 42.035 30.664 1.00 0.00 WT6 H ATOM 54727 OH2 TIP3 8973 80.070 88.065 1.235 1.00 0.00 WT6 O ATOM 54728 H1 TIP3 8973 79.988 87.794 0.321 1.00 0.00 WT6 H ATOM 54729 H2 TIP3 8973 79.313 88.631 1.387 1.00 0.00 WT6 H ATOM 54730 OH2 TIP3 8977 48.037 92.309 45.998 1.00 0.00 WT6 O ATOM 54731 H1 TIP3 8977 48.667 91.763 46.469 1.00 0.00 WT6 H ATOM 54732 H2 TIP3 8977 48.565 92.787 45.358 1.00 0.00 WT6 H ATOM 54733 OH2 TIP3 8988 59.659 86.949 3.936 1.00 0.00 WT6 O ATOM 54734 H1 TIP3 8988 59.416 87.468 4.703 1.00 0.00 WT6 H ATOM 54735 H2 TIP3 8988 59.443 87.507 3.189 1.00 0.00 WT6 H ATOM 54736 OH2 TIP3 9035 78.334 51.660 44.029 1.00 0.00 WT6 O ATOM 54737 H1 TIP3 9035 77.613 51.072 43.806 1.00 0.00 WT6 H ATOM 54738 H2 TIP3 9035 78.013 52.532 43.801 1.00 0.00 WT6 H ATOM 54739 OH2 TIP3 9047 48.022 26.701 0.259 1.00 0.00 WT6 O ATOM 54740 H1 TIP3 9047 47.773 26.763 1.181 1.00 0.00 WT6 H ATOM 54741 H2 TIP3 9047 48.780 26.116 0.254 1.00 0.00 WT6 H ATOM 54742 OH2 TIP3 9055 43.637 12.641 -0.920 1.00 0.00 WT6 O ATOM 54743 H1 TIP3 9055 42.970 12.052 -0.566 1.00 0.00 WT6 H ATOM 54744 H2 TIP3 9055 43.442 12.690 -1.856 1.00 0.00 WT6 H ATOM 54745 OH2 TIP3 9073 34.037 6.431 48.875 1.00 0.00 WT6 O ATOM 54746 H1 TIP3 9073 33.621 6.298 48.023 1.00 0.00 WT6 H ATOM 54747 H2 TIP3 9073 34.970 6.512 48.678 1.00 0.00 WT6 H ATOM 54748 OH2 TIP3 9096 35.333 20.437 56.895 1.00 0.00 WT6 O ATOM 54749 H1 TIP3 9096 34.452 20.783 56.753 1.00 0.00 WT6 H ATOM 54750 H2 TIP3 9096 35.870 20.866 56.228 1.00 0.00 WT6 H ATOM 54751 OH2 TIP3 9097 52.174 19.389 42.292 1.00 0.00 WT6 O ATOM 54752 H1 TIP3 9097 51.322 19.623 42.659 1.00 0.00 WT6 H ATOM 54753 H2 TIP3 9097 52.624 18.930 43.001 1.00 0.00 WT6 H ATOM 54754 OH2 TIP3 9116 74.112 70.306 33.668 1.00 0.00 WT6 O ATOM 54755 H1 TIP3 9116 73.551 71.062 33.845 1.00 0.00 WT6 H ATOM 54756 H2 TIP3 9116 73.615 69.779 33.044 1.00 0.00 WT6 H ATOM 54757 OH2 TIP3 9124 48.619 75.807 -18.519 1.00 0.00 WT6 O ATOM 54758 H1 TIP3 9124 48.987 75.002 -18.155 1.00 0.00 WT6 H ATOM 54759 H2 TIP3 9124 48.270 75.548 -19.372 1.00 0.00 WT6 H ATOM 54760 OH2 TIP3 9143 35.723 48.615 63.564 1.00 0.00 WT6 O ATOM 54761 H1 TIP3 9143 36.101 48.581 62.685 1.00 0.00 WT6 H ATOM 54762 H2 TIP3 9143 35.580 49.547 63.727 1.00 0.00 WT6 H ATOM 54763 OH2 TIP3 9144 68.733 45.242 7.535 1.00 0.00 WT6 O ATOM 54764 H1 TIP3 9144 68.017 44.793 7.984 1.00 0.00 WT6 H ATOM 54765 H2 TIP3 9144 68.301 45.901 6.992 1.00 0.00 WT6 H ATOM 54766 OH2 TIP3 9157 57.264 23.029 29.289 1.00 0.00 WT6 O ATOM 54767 H1 TIP3 9157 56.393 23.407 29.410 1.00 0.00 WT6 H ATOM 54768 H2 TIP3 9157 57.141 22.351 28.624 1.00 0.00 WT6 H ATOM 54769 OH2 TIP3 9158 33.763 58.902 52.474 1.00 0.00 WT6 O ATOM 54770 H1 TIP3 9158 34.667 59.059 52.748 1.00 0.00 WT6 H ATOM 54771 H2 TIP3 9158 33.304 58.671 53.282 1.00 0.00 WT6 H ATOM 54772 OH2 TIP3 9162 72.269 76.425 40.736 1.00 0.00 WT6 O ATOM 54773 H1 TIP3 9162 71.643 77.122 40.540 1.00 0.00 WT6 H ATOM 54774 H2 TIP3 9162 71.731 75.707 41.071 1.00 0.00 WT6 H ATOM 54775 OH2 TIP3 9183 21.779 60.500 -9.601 1.00 0.00 WT6 O ATOM 54776 H1 TIP3 9183 21.281 61.274 -9.341 1.00 0.00 WT6 H ATOM 54777 H2 TIP3 9183 22.576 60.851 -9.999 1.00 0.00 WT6 H ATOM 54778 OH2 TIP3 9184 59.219 42.923 -6.844 1.00 0.00 WT6 O ATOM 54779 H1 TIP3 9184 59.237 43.275 -7.733 1.00 0.00 WT6 H ATOM 54780 H2 TIP3 9184 59.898 43.411 -6.378 1.00 0.00 WT6 H ATOM 54781 OH2 TIP3 9198 82.420 24.671 0.775 1.00 0.00 WT6 O ATOM 54782 H1 TIP3 9198 82.340 24.229 -0.071 1.00 0.00 WT6 H ATOM 54783 H2 TIP3 9198 81.652 25.240 0.822 1.00 0.00 WT6 H ATOM 54784 OH2 TIP3 9223 65.131 35.807 38.454 1.00 0.00 WT6 O ATOM 54785 H1 TIP3 9223 64.636 36.410 37.900 1.00 0.00 WT6 H ATOM 54786 H2 TIP3 9223 65.958 36.259 38.622 1.00 0.00 WT6 H ATOM 54787 OH2 TIP3 9227 85.807 78.850 -13.425 1.00 0.00 WT6 O ATOM 54788 H1 TIP3 9227 86.743 79.048 -13.468 1.00 0.00 WT6 H ATOM 54789 H2 TIP3 9227 85.518 79.236 -12.598 1.00 0.00 WT6 H ATOM 54790 OH2 TIP3 9250 43.582 31.683 50.446 1.00 0.00 WT6 O ATOM 54791 H1 TIP3 9250 43.946 32.505 50.774 1.00 0.00 WT6 H ATOM 54792 H2 TIP3 9250 43.240 31.244 51.225 1.00 0.00 WT6 H ATOM 54793 OH2 TIP3 5 87.673 60.475 67.349 1.00 0.00 WT7 O ATOM 54794 H1 TIP3 5 88.586 60.188 67.334 1.00 0.00 WT7 H ATOM 54795 H2 TIP3 5 87.189 59.758 66.940 1.00 0.00 WT7 H ATOM 54796 OH2 TIP3 8 31.929 35.704 58.080 1.00 0.00 WT7 O ATOM 54797 H1 TIP3 8 32.465 36.368 58.516 1.00 0.00 WT7 H ATOM 54798 H2 TIP3 8 32.512 35.314 57.430 1.00 0.00 WT7 H ATOM 54799 OH2 TIP3 15 44.644 73.172 -12.356 1.00 0.00 WT7 O ATOM 54800 H1 TIP3 15 44.466 72.697 -11.544 1.00 0.00 WT7 H ATOM 54801 H2 TIP3 15 45.387 72.711 -12.746 1.00 0.00 WT7 H ATOM 54802 OH2 TIP3 19 75.246 38.352 48.214 1.00 0.00 WT7 O ATOM 54803 H1 TIP3 19 76.004 38.891 47.985 1.00 0.00 WT7 H ATOM 54804 H2 TIP3 19 75.618 37.497 48.434 1.00 0.00 WT7 H ATOM 54805 OH2 TIP3 37 60.436 56.116 55.714 1.00 0.00 WT7 O ATOM 54806 H1 TIP3 37 60.657 55.462 55.051 1.00 0.00 WT7 H ATOM 54807 H2 TIP3 37 59.483 56.070 55.787 1.00 0.00 WT7 H ATOM 54808 OH2 TIP3 42 89.839 65.252 27.635 1.00 0.00 WT7 O ATOM 54809 H1 TIP3 42 90.040 65.982 27.049 1.00 0.00 WT7 H ATOM 54810 H2 TIP3 42 89.012 65.497 28.048 1.00 0.00 WT7 H ATOM 54811 OH2 TIP3 44 38.585 41.494 49.935 1.00 0.00 WT7 O ATOM 54812 H1 TIP3 44 39.323 41.538 49.328 1.00 0.00 WT7 H ATOM 54813 H2 TIP3 44 37.828 41.759 49.413 1.00 0.00 WT7 H ATOM 54814 OH2 TIP3 48 69.335 83.669 1.189 1.00 0.00 WT7 O ATOM 54815 H1 TIP3 48 69.828 83.609 0.371 1.00 0.00 WT7 H ATOM 54816 H2 TIP3 48 69.548 82.862 1.657 1.00 0.00 WT7 H ATOM 54817 OH2 TIP3 52 71.373 41.175 -13.720 1.00 0.00 WT7 O ATOM 54818 H1 TIP3 52 70.591 41.728 -13.722 1.00 0.00 WT7 H ATOM 54819 H2 TIP3 52 71.366 40.753 -12.861 1.00 0.00 WT7 H ATOM 54820 OH2 TIP3 53 25.777 95.154 -0.975 1.00 0.00 WT7 O ATOM 54821 H1 TIP3 53 25.097 95.765 -0.691 1.00 0.00 WT7 H ATOM 54822 H2 TIP3 53 25.335 94.306 -1.019 1.00 0.00 WT7 H ATOM 54823 OH2 TIP3 55 35.492 0.457 -3.184 1.00 0.00 WT7 O ATOM 54824 H1 TIP3 55 35.250 0.928 -3.982 1.00 0.00 WT7 H ATOM 54825 H2 TIP3 55 34.780 0.642 -2.571 1.00 0.00 WT7 H ATOM 54826 OH2 TIP3 61 34.960 86.299 24.840 1.00 0.00 WT7 O ATOM 54827 H1 TIP3 61 34.676 85.920 24.008 1.00 0.00 WT7 H ATOM 54828 H2 TIP3 61 35.312 85.558 25.333 1.00 0.00 WT7 H ATOM 54829 OH2 TIP3 67 22.460 56.591 48.989 1.00 0.00 WT7 O ATOM 54830 H1 TIP3 67 22.519 56.001 49.740 1.00 0.00 WT7 H ATOM 54831 H2 TIP3 67 22.508 57.468 49.369 1.00 0.00 WT7 H ATOM 54832 OH2 TIP3 78 48.651 46.111 55.385 1.00 0.00 WT7 O ATOM 54833 H1 TIP3 78 48.416 46.831 54.800 1.00 0.00 WT7 H ATOM 54834 H2 TIP3 78 48.767 46.524 56.240 1.00 0.00 WT7 H ATOM 54835 OH2 TIP3 87 78.832 76.824 60.230 1.00 0.00 WT7 O ATOM 54836 H1 TIP3 87 78.307 76.128 59.834 1.00 0.00 WT7 H ATOM 54837 H2 TIP3 87 79.685 76.420 60.388 1.00 0.00 WT7 H ATOM 54838 OH2 TIP3 94 52.751 82.160 -18.727 1.00 0.00 WT7 O ATOM 54839 H1 TIP3 94 52.721 82.581 -17.868 1.00 0.00 WT7 H ATOM 54840 H2 TIP3 94 51.925 81.680 -18.787 1.00 0.00 WT7 H ATOM 54841 OH2 TIP3 95 48.408 3.160 4.791 1.00 0.00 WT7 O ATOM 54842 H1 TIP3 95 47.805 2.861 4.110 1.00 0.00 WT7 H ATOM 54843 H2 TIP3 95 48.935 2.389 5.001 1.00 0.00 WT7 H ATOM 54844 OH2 TIP3 113 78.468 43.642 35.050 1.00 0.00 WT7 O ATOM 54845 H1 TIP3 113 79.074 43.389 34.353 1.00 0.00 WT7 H ATOM 54846 H2 TIP3 113 77.928 44.329 34.659 1.00 0.00 WT7 H ATOM 54847 OH2 TIP3 115 45.668 46.295 3.487 1.00 0.00 WT7 O ATOM 54848 H1 TIP3 115 45.731 47.084 4.025 1.00 0.00 WT7 H ATOM 54849 H2 TIP3 115 44.730 46.179 3.338 1.00 0.00 WT7 H ATOM 54850 OH2 TIP3 122 37.402 38.538 20.062 1.00 0.00 WT7 O ATOM 54851 H1 TIP3 122 37.296 38.954 20.917 1.00 0.00 WT7 H ATOM 54852 H2 TIP3 122 38.349 38.507 19.927 1.00 0.00 WT7 H ATOM 54853 OH2 TIP3 128 70.541 31.026 -5.608 1.00 0.00 WT7 O ATOM 54854 H1 TIP3 128 70.659 31.958 -5.425 1.00 0.00 WT7 H ATOM 54855 H2 TIP3 128 69.875 30.741 -4.983 1.00 0.00 WT7 H ATOM 54856 OH2 TIP3 135 70.451 86.244 -5.685 1.00 0.00 WT7 O ATOM 54857 H1 TIP3 135 70.956 86.836 -6.241 1.00 0.00 WT7 H ATOM 54858 H2 TIP3 135 69.870 85.783 -6.291 1.00 0.00 WT7 H ATOM 54859 OH2 TIP3 137 78.297 84.112 38.991 1.00 0.00 WT7 O ATOM 54860 H1 TIP3 137 79.019 83.623 39.386 1.00 0.00 WT7 H ATOM 54861 H2 TIP3 137 77.568 83.997 39.601 1.00 0.00 WT7 H ATOM 54862 OH2 TIP3 149 40.544 70.250 -17.612 1.00 0.00 WT7 O ATOM 54863 H1 TIP3 149 40.231 70.558 -18.462 1.00 0.00 WT7 H ATOM 54864 H2 TIP3 149 40.617 71.043 -17.081 1.00 0.00 WT7 H ATOM 54865 OH2 TIP3 150 68.918 6.062 -1.538 1.00 0.00 WT7 O ATOM 54866 H1 TIP3 150 68.845 6.667 -0.800 1.00 0.00 WT7 H ATOM 54867 H2 TIP3 150 69.860 5.948 -1.662 1.00 0.00 WT7 H ATOM 54868 OH2 TIP3 153 45.658 68.027 -6.775 1.00 0.00 WT7 O ATOM 54869 H1 TIP3 153 45.023 67.358 -7.032 1.00 0.00 WT7 H ATOM 54870 H2 TIP3 153 46.032 67.701 -5.957 1.00 0.00 WT7 H ATOM 54871 OH2 TIP3 155 45.826 63.656 5.929 1.00 0.00 WT7 O ATOM 54872 H1 TIP3 155 46.045 62.729 6.023 1.00 0.00 WT7 H ATOM 54873 H2 TIP3 155 46.093 64.051 6.759 1.00 0.00 WT7 H ATOM 54874 OH2 TIP3 165 37.972 45.091 15.026 1.00 0.00 WT7 O ATOM 54875 H1 TIP3 165 37.775 45.887 15.521 1.00 0.00 WT7 H ATOM 54876 H2 TIP3 165 38.686 44.677 15.511 1.00 0.00 WT7 H ATOM 54877 OH2 TIP3 167 48.421 95.540 -8.197 1.00 0.00 WT7 O ATOM 54878 H1 TIP3 167 48.149 96.442 -8.029 1.00 0.00 WT7 H ATOM 54879 H2 TIP3 167 49.287 95.621 -8.596 1.00 0.00 WT7 H ATOM 54880 OH2 TIP3 175 78.123 46.119 19.581 1.00 0.00 WT7 O ATOM 54881 H1 TIP3 175 78.241 45.803 20.477 1.00 0.00 WT7 H ATOM 54882 H2 TIP3 175 77.184 46.290 19.510 1.00 0.00 WT7 H ATOM 54883 OH2 TIP3 177 31.636 78.363 7.969 1.00 0.00 WT7 O ATOM 54884 H1 TIP3 177 31.982 78.418 8.860 1.00 0.00 WT7 H ATOM 54885 H2 TIP3 177 32.414 78.330 7.411 1.00 0.00 WT7 H ATOM 54886 OH2 TIP3 201 45.158 91.512 56.108 1.00 0.00 WT7 O ATOM 54887 H1 TIP3 201 45.040 91.582 55.160 1.00 0.00 WT7 H ATOM 54888 H2 TIP3 201 44.273 91.387 56.450 1.00 0.00 WT7 H ATOM 54889 OH2 TIP3 225 25.210 69.868 21.956 1.00 0.00 WT7 O ATOM 54890 H1 TIP3 225 24.371 69.441 22.130 1.00 0.00 WT7 H ATOM 54891 H2 TIP3 225 25.861 69.178 22.080 1.00 0.00 WT7 H ATOM 54892 OH2 TIP3 234 29.548 38.269 42.161 1.00 0.00 WT7 O ATOM 54893 H1 TIP3 234 29.877 39.087 42.535 1.00 0.00 WT7 H ATOM 54894 H2 TIP3 234 30.320 37.707 42.098 1.00 0.00 WT7 H ATOM 54895 OH2 TIP3 237 90.225 4.390 1.561 1.00 0.00 WT7 O ATOM 54896 H1 TIP3 237 91.020 4.834 1.856 1.00 0.00 WT7 H ATOM 54897 H2 TIP3 237 89.985 4.840 0.751 1.00 0.00 WT7 H ATOM 54898 OH2 TIP3 261 23.735 31.406 -4.833 1.00 0.00 WT7 O ATOM 54899 H1 TIP3 261 24.126 32.170 -5.257 1.00 0.00 WT7 H ATOM 54900 H2 TIP3 261 23.631 31.667 -3.918 1.00 0.00 WT7 H ATOM 54901 OH2 TIP3 268 27.323 85.539 19.803 1.00 0.00 WT7 O ATOM 54902 H1 TIP3 268 27.828 85.259 19.040 1.00 0.00 WT7 H ATOM 54903 H2 TIP3 268 26.946 86.380 19.546 1.00 0.00 WT7 H ATOM 54904 OH2 TIP3 313 68.797 33.724 -19.690 1.00 0.00 WT7 O ATOM 54905 H1 TIP3 313 68.028 33.958 -19.170 1.00 0.00 WT7 H ATOM 54906 H2 TIP3 313 68.865 32.773 -19.603 1.00 0.00 WT7 H ATOM 54907 OH2 TIP3 379 49.548 9.805 7.623 1.00 0.00 WT7 O ATOM 54908 H1 TIP3 379 48.650 9.912 7.937 1.00 0.00 WT7 H ATOM 54909 H2 TIP3 379 49.685 8.857 7.609 1.00 0.00 WT7 H ATOM 54910 OH2 TIP3 400 43.819 54.623 60.534 1.00 0.00 WT7 O ATOM 54911 H1 TIP3 400 43.293 54.530 61.329 1.00 0.00 WT7 H ATOM 54912 H2 TIP3 400 44.171 55.512 60.583 1.00 0.00 WT7 H ATOM 54913 OH2 TIP3 417 59.816 65.610 47.157 1.00 0.00 WT7 O ATOM 54914 H1 TIP3 417 59.097 64.981 47.110 1.00 0.00 WT7 H ATOM 54915 H2 TIP3 417 60.551 65.109 47.511 1.00 0.00 WT7 H ATOM 54916 OH2 TIP3 449 88.620 26.854 -13.126 1.00 0.00 WT7 O ATOM 54917 H1 TIP3 449 88.695 25.973 -13.492 1.00 0.00 WT7 H ATOM 54918 H2 TIP3 449 88.243 26.722 -12.257 1.00 0.00 WT7 H ATOM 54919 OH2 TIP3 462 82.716 62.684 31.597 1.00 0.00 WT7 O ATOM 54920 H1 TIP3 462 81.780 62.558 31.440 1.00 0.00 WT7 H ATOM 54921 H2 TIP3 462 82.996 63.287 30.908 1.00 0.00 WT7 H ATOM 54922 OH2 TIP3 463 22.998 75.431 -6.840 1.00 0.00 WT7 O ATOM 54923 H1 TIP3 463 23.934 75.550 -6.676 1.00 0.00 WT7 H ATOM 54924 H2 TIP3 463 22.572 76.083 -6.284 1.00 0.00 WT7 H ATOM 54925 OH2 TIP3 485 64.133 89.976 -9.055 1.00 0.00 WT7 O ATOM 54926 H1 TIP3 485 64.222 90.929 -9.043 1.00 0.00 WT7 H ATOM 54927 H2 TIP3 485 63.221 89.824 -9.305 1.00 0.00 WT7 H ATOM 54928 OH2 TIP3 486 45.508 45.530 -16.004 1.00 0.00 WT7 O ATOM 54929 H1 TIP3 486 45.338 46.043 -16.795 1.00 0.00 WT7 H ATOM 54930 H2 TIP3 486 46.375 45.814 -15.716 1.00 0.00 WT7 H ATOM 54931 OH2 TIP3 489 58.987 80.269 24.459 1.00 0.00 WT7 O ATOM 54932 H1 TIP3 489 58.109 79.952 24.671 1.00 0.00 WT7 H ATOM 54933 H2 TIP3 489 59.102 81.043 25.010 1.00 0.00 WT7 H ATOM 54934 OH2 TIP3 490 77.540 80.319 38.085 1.00 0.00 WT7 O ATOM 54935 H1 TIP3 490 76.919 79.596 38.002 1.00 0.00 WT7 H ATOM 54936 H2 TIP3 490 77.080 81.074 37.717 1.00 0.00 WT7 H ATOM 54937 OH2 TIP3 491 77.476 51.765 2.378 1.00 0.00 WT7 O ATOM 54938 H1 TIP3 491 77.889 51.156 2.990 1.00 0.00 WT7 H ATOM 54939 H2 TIP3 491 77.639 52.630 2.754 1.00 0.00 WT7 H ATOM 54940 OH2 TIP3 494 78.158 79.723 15.394 1.00 0.00 WT7 O ATOM 54941 H1 TIP3 494 78.124 78.881 15.849 1.00 0.00 WT7 H ATOM 54942 H2 TIP3 494 78.858 79.619 14.749 1.00 0.00 WT7 H ATOM 54943 OH2 TIP3 501 48.962 0.383 21.491 1.00 0.00 WT7 O ATOM 54944 H1 TIP3 501 49.047 1.283 21.805 1.00 0.00 WT7 H ATOM 54945 H2 TIP3 501 48.489 0.461 20.662 1.00 0.00 WT7 H ATOM 54946 OH2 TIP3 502 23.120 50.823 46.146 1.00 0.00 WT7 O ATOM 54947 H1 TIP3 502 22.855 50.324 46.918 1.00 0.00 WT7 H ATOM 54948 H2 TIP3 502 22.881 50.266 45.406 1.00 0.00 WT7 H ATOM 54949 OH2 TIP3 503 23.918 36.111 17.006 1.00 0.00 WT7 O ATOM 54950 H1 TIP3 503 23.348 35.401 16.709 1.00 0.00 WT7 H ATOM 54951 H2 TIP3 503 24.783 35.883 16.667 1.00 0.00 WT7 H ATOM 54952 OH2 TIP3 506 57.259 40.120 54.966 1.00 0.00 WT7 O ATOM 54953 H1 TIP3 506 56.483 39.565 55.038 1.00 0.00 WT7 H ATOM 54954 H2 TIP3 506 56.970 40.871 54.447 1.00 0.00 WT7 H ATOM 54955 OH2 TIP3 509 28.089 22.400 -13.226 1.00 0.00 WT7 O ATOM 54956 H1 TIP3 509 28.032 23.281 -13.594 1.00 0.00 WT7 H ATOM 54957 H2 TIP3 509 28.903 22.043 -13.580 1.00 0.00 WT7 H ATOM 54958 OH2 TIP3 511 71.190 10.505 -0.669 1.00 0.00 WT7 O ATOM 54959 H1 TIP3 511 70.635 11.063 -0.123 1.00 0.00 WT7 H ATOM 54960 H2 TIP3 511 71.769 11.116 -1.125 1.00 0.00 WT7 H ATOM 54961 OH2 TIP3 515 30.367 71.581 -16.657 1.00 0.00 WT7 O ATOM 54962 H1 TIP3 515 30.910 71.785 -15.896 1.00 0.00 WT7 H ATOM 54963 H2 TIP3 515 30.319 70.625 -16.668 1.00 0.00 WT7 H ATOM 54964 OH2 TIP3 516 28.672 49.687 24.331 1.00 0.00 WT7 O ATOM 54965 H1 TIP3 516 28.587 50.296 23.598 1.00 0.00 WT7 H ATOM 54966 H2 TIP3 516 29.294 50.109 24.923 1.00 0.00 WT7 H ATOM 54967 OH2 TIP3 520 67.887 58.184 61.126 1.00 0.00 WT7 O ATOM 54968 H1 TIP3 520 68.209 59.012 60.770 1.00 0.00 WT7 H ATOM 54969 H2 TIP3 520 67.514 57.728 60.371 1.00 0.00 WT7 H ATOM 54970 OH2 TIP3 526 68.022 1.048 -18.276 1.00 0.00 WT7 O ATOM 54971 H1 TIP3 526 67.667 1.462 -17.489 1.00 0.00 WT7 H ATOM 54972 H2 TIP3 526 68.738 1.624 -18.547 1.00 0.00 WT7 H ATOM 54973 OH2 TIP3 540 63.594 41.298 -13.121 1.00 0.00 WT7 O ATOM 54974 H1 TIP3 540 62.727 41.312 -12.716 1.00 0.00 WT7 H ATOM 54975 H2 TIP3 540 63.545 40.596 -13.770 1.00 0.00 WT7 H ATOM 54976 OH2 TIP3 541 79.548 90.078 -16.009 1.00 0.00 WT7 O ATOM 54977 H1 TIP3 541 79.886 89.183 -15.991 1.00 0.00 WT7 H ATOM 54978 H2 TIP3 541 80.325 90.630 -15.932 1.00 0.00 WT7 H ATOM 54979 OH2 TIP3 548 70.810 77.325 -10.217 1.00 0.00 WT7 O ATOM 54980 H1 TIP3 548 70.045 77.847 -10.460 1.00 0.00 WT7 H ATOM 54981 H2 TIP3 548 70.679 77.123 -9.291 1.00 0.00 WT7 H ATOM 54982 OH2 TIP3 550 23.748 44.729 -1.962 1.00 0.00 WT7 O ATOM 54983 H1 TIP3 550 23.734 43.843 -1.599 1.00 0.00 WT7 H ATOM 54984 H2 TIP3 550 23.910 45.295 -1.208 1.00 0.00 WT7 H ATOM 54985 OH2 TIP3 551 87.629 76.212 62.013 1.00 0.00 WT7 O ATOM 54986 H1 TIP3 551 86.736 76.015 62.296 1.00 0.00 WT7 H ATOM 54987 H2 TIP3 551 87.561 77.064 61.581 1.00 0.00 WT7 H ATOM 54988 OH2 TIP3 555 64.928 47.050 29.263 1.00 0.00 WT7 O ATOM 54989 H1 TIP3 555 64.411 47.531 29.911 1.00 0.00 WT7 H ATOM 54990 H2 TIP3 555 64.320 46.404 28.904 1.00 0.00 WT7 H ATOM 54991 OH2 TIP3 556 30.156 77.119 -12.045 1.00 0.00 WT7 O ATOM 54992 H1 TIP3 556 30.774 77.795 -11.767 1.00 0.00 WT7 H ATOM 54993 H2 TIP3 556 30.708 76.402 -12.356 1.00 0.00 WT7 H ATOM 54994 OH2 TIP3 562 63.792 9.394 62.591 1.00 0.00 WT7 O ATOM 54995 H1 TIP3 562 64.472 8.762 62.822 1.00 0.00 WT7 H ATOM 54996 H2 TIP3 562 63.417 9.661 63.430 1.00 0.00 WT7 H ATOM 54997 OH2 TIP3 564 85.406 61.526 38.985 1.00 0.00 WT7 O ATOM 54998 H1 TIP3 564 85.162 60.623 38.784 1.00 0.00 WT7 H ATOM 54999 H2 TIP3 564 84.970 62.048 38.312 1.00 0.00 WT7 H ATOM 55000 OH2 TIP3 573 38.050 2.622 -2.852 1.00 0.00 WT7 O ATOM 55001 H1 TIP3 573 37.695 1.762 -2.626 1.00 0.00 WT7 H ATOM 55002 H2 TIP3 573 38.996 2.486 -2.904 1.00 0.00 WT7 H ATOM 55003 OH2 TIP3 575 76.879 79.271 28.811 1.00 0.00 WT7 O ATOM 55004 H1 TIP3 575 76.206 78.593 28.752 1.00 0.00 WT7 H ATOM 55005 H2 TIP3 575 76.572 79.965 28.229 1.00 0.00 WT7 H ATOM 55006 OH2 TIP3 576 57.456 2.951 34.475 1.00 0.00 WT7 O ATOM 55007 H1 TIP3 576 56.596 2.832 34.073 1.00 0.00 WT7 H ATOM 55008 H2 TIP3 576 58.059 2.491 33.890 1.00 0.00 WT7 H ATOM 55009 OH2 TIP3 578 56.942 96.036 19.395 1.00 0.00 WT7 O ATOM 55010 H1 TIP3 578 56.259 96.707 19.371 1.00 0.00 WT7 H ATOM 55011 H2 TIP3 578 56.571 95.335 19.931 1.00 0.00 WT7 H ATOM 55012 OH2 TIP3 584 43.796 67.400 -0.677 1.00 0.00 WT7 O ATOM 55013 H1 TIP3 584 43.654 66.496 -0.957 1.00 0.00 WT7 H ATOM 55014 H2 TIP3 584 44.503 67.344 -0.034 1.00 0.00 WT7 H ATOM 55015 OH2 TIP3 586 55.248 89.046 -3.685 1.00 0.00 WT7 O ATOM 55016 H1 TIP3 586 54.995 88.162 -3.948 1.00 0.00 WT7 H ATOM 55017 H2 TIP3 586 54.468 89.577 -3.844 1.00 0.00 WT7 H ATOM 55018 OH2 TIP3 591 22.560 39.874 2.628 1.00 0.00 WT7 O ATOM 55019 H1 TIP3 591 23.250 39.228 2.480 1.00 0.00 WT7 H ATOM 55020 H2 TIP3 591 22.994 40.583 3.103 1.00 0.00 WT7 H ATOM 55021 OH2 TIP3 593 68.688 85.901 14.972 1.00 0.00 WT7 O ATOM 55022 H1 TIP3 593 68.820 85.938 14.025 1.00 0.00 WT7 H ATOM 55023 H2 TIP3 593 67.902 86.426 15.125 1.00 0.00 WT7 H ATOM 55024 OH2 TIP3 594 27.958 40.238 37.891 1.00 0.00 WT7 O ATOM 55025 H1 TIP3 594 27.907 41.190 37.799 1.00 0.00 WT7 H ATOM 55026 H2 TIP3 594 27.719 39.901 37.028 1.00 0.00 WT7 H ATOM 55027 OH2 TIP3 599 51.285 51.020 59.746 1.00 0.00 WT7 O ATOM 55028 H1 TIP3 599 51.535 51.885 59.420 1.00 0.00 WT7 H ATOM 55029 H2 TIP3 599 51.771 50.406 59.196 1.00 0.00 WT7 H ATOM 55030 OH2 TIP3 602 63.634 68.542 56.026 1.00 0.00 WT7 O ATOM 55031 H1 TIP3 602 63.536 68.631 55.078 1.00 0.00 WT7 H ATOM 55032 H2 TIP3 602 64.522 68.850 56.205 1.00 0.00 WT7 H ATOM 55033 OH2 TIP3 606 31.242 58.123 4.111 1.00 0.00 WT7 O ATOM 55034 H1 TIP3 606 31.045 57.410 4.718 1.00 0.00 WT7 H ATOM 55035 H2 TIP3 606 32.121 57.927 3.786 1.00 0.00 WT7 H ATOM 55036 OH2 TIP3 626 20.623 64.143 -18.728 1.00 0.00 WT7 O ATOM 55037 H1 TIP3 626 20.309 63.745 -19.540 1.00 0.00 WT7 H ATOM 55038 H2 TIP3 626 20.529 65.085 -18.870 1.00 0.00 WT7 H ATOM 55039 OH2 TIP3 638 21.443 17.931 -7.273 1.00 0.00 WT7 O ATOM 55040 H1 TIP3 638 20.742 17.868 -6.624 1.00 0.00 WT7 H ATOM 55041 H2 TIP3 638 21.945 18.702 -7.011 1.00 0.00 WT7 H ATOM 55042 OH2 TIP3 639 79.838 47.380 11.272 1.00 0.00 WT7 O ATOM 55043 H1 TIP3 639 80.126 46.467 11.278 1.00 0.00 WT7 H ATOM 55044 H2 TIP3 639 80.585 47.869 11.615 1.00 0.00 WT7 H ATOM 55045 OH2 TIP3 649 43.632 84.865 29.757 1.00 0.00 WT7 O ATOM 55046 H1 TIP3 649 43.919 85.449 29.055 1.00 0.00 WT7 H ATOM 55047 H2 TIP3 649 43.461 85.447 30.498 1.00 0.00 WT7 H ATOM 55048 OH2 TIP3 650 77.101 95.775 54.435 1.00 0.00 WT7 O ATOM 55049 H1 TIP3 650 77.087 96.724 54.311 1.00 0.00 WT7 H ATOM 55050 H2 TIP3 650 77.835 95.474 53.900 1.00 0.00 WT7 H ATOM 55051 OH2 TIP3 662 44.482 55.716 -9.298 1.00 0.00 WT7 O ATOM 55052 H1 TIP3 662 44.440 56.219 -8.485 1.00 0.00 WT7 H ATOM 55053 H2 TIP3 662 45.143 56.165 -9.825 1.00 0.00 WT7 H ATOM 55054 OH2 TIP3 666 41.695 26.977 -19.847 1.00 0.00 WT7 O ATOM 55055 H1 TIP3 666 42.504 26.931 -19.338 1.00 0.00 WT7 H ATOM 55056 H2 TIP3 666 41.146 26.279 -19.488 1.00 0.00 WT7 H ATOM 55057 OH2 TIP3 668 24.326 68.663 61.467 1.00 0.00 WT7 O ATOM 55058 H1 TIP3 668 24.473 69.381 60.851 1.00 0.00 WT7 H ATOM 55059 H2 TIP3 668 24.905 67.964 61.165 1.00 0.00 WT7 H ATOM 55060 OH2 TIP3 711 84.215 95.315 -6.714 1.00 0.00 WT7 O ATOM 55061 H1 TIP3 711 84.259 95.231 -5.762 1.00 0.00 WT7 H ATOM 55062 H2 TIP3 711 84.788 96.055 -6.917 1.00 0.00 WT7 H ATOM 55063 OH2 TIP3 822 71.111 65.622 13.872 1.00 0.00 WT7 O ATOM 55064 H1 TIP3 822 71.228 64.735 14.214 1.00 0.00 WT7 H ATOM 55065 H2 TIP3 822 71.208 66.189 14.638 1.00 0.00 WT7 H ATOM 55066 OH2 TIP3 836 46.569 3.706 49.398 1.00 0.00 WT7 O ATOM 55067 H1 TIP3 836 46.257 3.299 48.590 1.00 0.00 WT7 H ATOM 55068 H2 TIP3 836 47.172 3.064 49.773 1.00 0.00 WT7 H ATOM 55069 OH2 TIP3 852 40.586 60.808 57.233 1.00 0.00 WT7 O ATOM 55070 H1 TIP3 852 41.489 60.955 57.515 1.00 0.00 WT7 H ATOM 55071 H2 TIP3 852 40.427 59.881 57.413 1.00 0.00 WT7 H ATOM 55072 OH2 TIP3 854 64.816 96.447 27.394 1.00 0.00 WT7 O ATOM 55073 H1 TIP3 854 64.156 96.962 27.856 1.00 0.00 WT7 H ATOM 55074 H2 TIP3 854 64.727 96.710 26.478 1.00 0.00 WT7 H ATOM 55075 OH2 TIP3 860 47.373 71.858 33.773 1.00 0.00 WT7 O ATOM 55076 H1 TIP3 860 47.398 72.690 34.246 1.00 0.00 WT7 H ATOM 55077 H2 TIP3 860 48.236 71.470 33.924 1.00 0.00 WT7 H ATOM 55078 OH2 TIP3 889 76.522 78.971 -5.039 1.00 0.00 WT7 O ATOM 55079 H1 TIP3 889 76.971 79.358 -4.287 1.00 0.00 WT7 H ATOM 55080 H2 TIP3 889 76.294 78.086 -4.753 1.00 0.00 WT7 H ATOM 55081 OH2 TIP3 892 31.633 12.109 -7.927 1.00 0.00 WT7 O ATOM 55082 H1 TIP3 892 32.367 11.661 -8.347 1.00 0.00 WT7 H ATOM 55083 H2 TIP3 892 30.960 11.434 -7.836 1.00 0.00 WT7 H ATOM 55084 OH2 TIP3 895 30.366 85.481 29.643 1.00 0.00 WT7 O ATOM 55085 H1 TIP3 895 30.437 85.199 30.555 1.00 0.00 WT7 H ATOM 55086 H2 TIP3 895 31.248 85.775 29.414 1.00 0.00 WT7 H ATOM 55087 OH2 TIP3 908 47.235 67.927 -17.081 1.00 0.00 WT7 O ATOM 55088 H1 TIP3 908 47.163 68.776 -16.645 1.00 0.00 WT7 H ATOM 55089 H2 TIP3 908 46.960 67.292 -16.419 1.00 0.00 WT7 H ATOM 55090 OH2 TIP3 919 71.038 87.888 30.204 1.00 0.00 WT7 O ATOM 55091 H1 TIP3 919 70.291 88.246 30.685 1.00 0.00 WT7 H ATOM 55092 H2 TIP3 919 70.664 87.188 29.668 1.00 0.00 WT7 H ATOM 55093 OH2 TIP3 928 74.862 59.195 -17.005 1.00 0.00 WT7 O ATOM 55094 H1 TIP3 928 74.748 59.769 -16.248 1.00 0.00 WT7 H ATOM 55095 H2 TIP3 928 75.777 58.918 -16.961 1.00 0.00 WT7 H ATOM 55096 OH2 TIP3 930 22.287 95.148 -9.202 1.00 0.00 WT7 O ATOM 55097 H1 TIP3 930 23.096 94.829 -8.804 1.00 0.00 WT7 H ATOM 55098 H2 TIP3 930 21.659 95.176 -8.481 1.00 0.00 WT7 H ATOM 55099 OH2 TIP3 933 77.463 58.020 14.878 1.00 0.00 WT7 O ATOM 55100 H1 TIP3 933 77.618 57.999 15.823 1.00 0.00 WT7 H ATOM 55101 H2 TIP3 933 76.512 58.086 14.793 1.00 0.00 WT7 H ATOM 55102 OH2 TIP3 936 38.476 84.908 11.907 1.00 0.00 WT7 O ATOM 55103 H1 TIP3 936 37.947 84.501 11.220 1.00 0.00 WT7 H ATOM 55104 H2 TIP3 936 39.344 85.004 11.515 1.00 0.00 WT7 H ATOM 55105 OH2 TIP3 940 53.904 95.555 17.242 1.00 0.00 WT7 O ATOM 55106 H1 TIP3 940 53.504 96.292 17.705 1.00 0.00 WT7 H ATOM 55107 H2 TIP3 940 54.463 95.136 17.897 1.00 0.00 WT7 H ATOM 55108 OH2 TIP3 944 66.024 17.297 40.222 1.00 0.00 WT7 O ATOM 55109 H1 TIP3 944 66.661 16.855 39.660 1.00 0.00 WT7 H ATOM 55110 H2 TIP3 944 65.513 17.841 39.622 1.00 0.00 WT7 H ATOM 55111 OH2 TIP3 954 22.980 5.832 7.013 1.00 0.00 WT7 O ATOM 55112 H1 TIP3 954 23.454 5.205 7.560 1.00 0.00 WT7 H ATOM 55113 H2 TIP3 954 22.140 5.408 6.835 1.00 0.00 WT7 H ATOM 55114 OH2 TIP3 958 40.589 68.810 27.136 1.00 0.00 WT7 O ATOM 55115 H1 TIP3 958 40.336 69.018 26.237 1.00 0.00 WT7 H ATOM 55116 H2 TIP3 958 41.297 69.424 27.334 1.00 0.00 WT7 H ATOM 55117 OH2 TIP3 960 58.394 61.399 32.787 1.00 0.00 WT7 O ATOM 55118 H1 TIP3 960 57.622 60.881 33.015 1.00 0.00 WT7 H ATOM 55119 H2 TIP3 960 58.104 61.956 32.065 1.00 0.00 WT7 H ATOM 55120 OH2 TIP3 978 57.934 22.685 21.782 1.00 0.00 WT7 O ATOM 55121 H1 TIP3 978 57.154 22.905 22.291 1.00 0.00 WT7 H ATOM 55122 H2 TIP3 978 58.417 23.509 21.715 1.00 0.00 WT7 H ATOM 55123 OH2 TIP3 981 87.004 50.001 34.436 1.00 0.00 WT7 O ATOM 55124 H1 TIP3 981 87.242 49.110 34.180 1.00 0.00 WT7 H ATOM 55125 H2 TIP3 981 86.138 49.913 34.833 1.00 0.00 WT7 H ATOM 55126 OH2 TIP3 982 47.246 46.199 48.981 1.00 0.00 WT7 O ATOM 55127 H1 TIP3 982 47.972 46.719 48.635 1.00 0.00 WT7 H ATOM 55128 H2 TIP3 982 46.470 46.551 48.547 1.00 0.00 WT7 H ATOM 55129 OH2 TIP3 983 87.248 85.168 48.000 1.00 0.00 WT7 O ATOM 55130 H1 TIP3 983 86.321 85.409 47.985 1.00 0.00 WT7 H ATOM 55131 H2 TIP3 983 87.478 85.042 47.079 1.00 0.00 WT7 H ATOM 55132 OH2 TIP3 986 40.461 93.921 27.396 1.00 0.00 WT7 O ATOM 55133 H1 TIP3 986 39.532 94.148 27.345 1.00 0.00 WT7 H ATOM 55134 H2 TIP3 986 40.863 94.392 26.665 1.00 0.00 WT7 H ATOM 55135 OH2 TIP3 993 32.268 13.066 35.925 1.00 0.00 WT7 O ATOM 55136 H1 TIP3 993 32.322 12.359 35.282 1.00 0.00 WT7 H ATOM 55137 H2 TIP3 993 33.067 13.575 35.790 1.00 0.00 WT7 H ATOM 55138 OH2 TIP3 999 59.889 9.490 7.795 1.00 0.00 WT7 O ATOM 55139 H1 TIP3 999 59.915 9.539 6.839 1.00 0.00 WT7 H ATOM 55140 H2 TIP3 999 59.325 8.739 7.981 1.00 0.00 WT7 H ATOM 55141 OH2 TIP3 1013 73.935 15.881 -10.253 1.00 0.00 WT7 O ATOM 55142 H1 TIP3 1013 72.985 15.967 -10.174 1.00 0.00 WT7 H ATOM 55143 H2 TIP3 1013 74.193 16.594 -10.837 1.00 0.00 WT7 H ATOM 55144 OH2 TIP3 1018 25.996 3.076 10.166 1.00 0.00 WT7 O ATOM 55145 H1 TIP3 1018 25.915 2.131 10.038 1.00 0.00 WT7 H ATOM 55146 H2 TIP3 1018 26.764 3.177 10.729 1.00 0.00 WT7 H ATOM 55147 OH2 TIP3 1019 65.144 52.099 15.842 1.00 0.00 WT7 O ATOM 55148 H1 TIP3 1019 65.003 51.297 16.345 1.00 0.00 WT7 H ATOM 55149 H2 TIP3 1019 64.338 52.601 15.960 1.00 0.00 WT7 H ATOM 55150 OH2 TIP3 1024 56.108 83.607 2.271 1.00 0.00 WT7 O ATOM 55151 H1 TIP3 1024 55.468 83.983 2.876 1.00 0.00 WT7 H ATOM 55152 H2 TIP3 1024 55.935 82.665 2.294 1.00 0.00 WT7 H ATOM 55153 OH2 TIP3 1025 74.754 19.648 53.180 1.00 0.00 WT7 O ATOM 55154 H1 TIP3 1025 75.369 19.017 52.804 1.00 0.00 WT7 H ATOM 55155 H2 TIP3 1025 74.425 20.140 52.427 1.00 0.00 WT7 H ATOM 55156 OH2 TIP3 1043 34.973 58.229 -8.647 1.00 0.00 WT7 O ATOM 55157 H1 TIP3 1043 34.368 57.582 -8.285 1.00 0.00 WT7 H ATOM 55158 H2 TIP3 1043 34.964 58.948 -8.015 1.00 0.00 WT7 H ATOM 55159 OH2 TIP3 1048 36.825 1.280 35.783 1.00 0.00 WT7 O ATOM 55160 H1 TIP3 1048 36.328 1.894 36.323 1.00 0.00 WT7 H ATOM 55161 H2 TIP3 1048 37.150 0.626 36.401 1.00 0.00 WT7 H ATOM 55162 OH2 TIP3 1052 66.032 75.567 7.515 1.00 0.00 WT7 O ATOM 55163 H1 TIP3 1052 65.941 74.634 7.706 1.00 0.00 WT7 H ATOM 55164 H2 TIP3 1052 65.298 75.978 7.972 1.00 0.00 WT7 H ATOM 55165 OH2 TIP3 1061 52.862 0.407 2.524 1.00 0.00 WT7 O ATOM 55166 H1 TIP3 1061 53.608 1.000 2.616 1.00 0.00 WT7 H ATOM 55167 H2 TIP3 1061 52.742 0.034 3.397 1.00 0.00 WT7 H ATOM 55168 OH2 TIP3 1071 51.821 45.287 -2.841 1.00 0.00 WT7 O ATOM 55169 H1 TIP3 1071 51.747 45.746 -3.678 1.00 0.00 WT7 H ATOM 55170 H2 TIP3 1071 52.620 45.637 -2.446 1.00 0.00 WT7 H ATOM 55171 OH2 TIP3 1076 29.730 80.296 11.047 1.00 0.00 WT7 O ATOM 55172 H1 TIP3 1076 29.628 80.111 11.981 1.00 0.00 WT7 H ATOM 55173 H2 TIP3 1076 30.575 80.742 10.982 1.00 0.00 WT7 H ATOM 55174 OH2 TIP3 1098 66.467 13.685 39.742 1.00 0.00 WT7 O ATOM 55175 H1 TIP3 1098 67.158 14.343 39.673 1.00 0.00 WT7 H ATOM 55176 H2 TIP3 1098 66.669 13.207 40.546 1.00 0.00 WT7 H ATOM 55177 OH2 TIP3 1122 35.533 30.268 45.244 1.00 0.00 WT7 O ATOM 55178 H1 TIP3 1122 35.835 30.597 44.398 1.00 0.00 WT7 H ATOM 55179 H2 TIP3 1122 36.327 30.204 45.774 1.00 0.00 WT7 H ATOM 55180 OH2 TIP3 1138 81.296 90.312 -3.373 1.00 0.00 WT7 O ATOM 55181 H1 TIP3 1138 82.062 90.484 -3.922 1.00 0.00 WT7 H ATOM 55182 H2 TIP3 1138 80.655 90.969 -3.644 1.00 0.00 WT7 H ATOM 55183 OH2 TIP3 1253 89.397 61.859 15.538 1.00 0.00 WT7 O ATOM 55184 H1 TIP3 1253 89.306 60.909 15.600 1.00 0.00 WT7 H ATOM 55185 H2 TIP3 1253 90.193 62.057 16.031 1.00 0.00 WT7 H ATOM 55186 OH2 TIP3 1298 60.080 49.406 48.630 1.00 0.00 WT7 O ATOM 55187 H1 TIP3 1298 60.291 49.030 47.776 1.00 0.00 WT7 H ATOM 55188 H2 TIP3 1298 60.927 49.506 49.065 1.00 0.00 WT7 H ATOM 55189 OH2 TIP3 1301 35.262 67.450 63.308 1.00 0.00 WT7 O ATOM 55190 H1 TIP3 1301 34.359 67.563 63.604 1.00 0.00 WT7 H ATOM 55191 H2 TIP3 1301 35.719 68.226 63.633 1.00 0.00 WT7 H ATOM 55192 OH2 TIP3 1354 69.530 1.648 65.992 1.00 0.00 WT7 O ATOM 55193 H1 TIP3 1354 68.932 1.141 65.442 1.00 0.00 WT7 H ATOM 55194 H2 TIP3 1354 70.167 1.008 66.308 1.00 0.00 WT7 H ATOM 55195 OH2 TIP3 1370 56.581 93.978 21.293 1.00 0.00 WT7 O ATOM 55196 H1 TIP3 1370 55.709 93.691 21.563 1.00 0.00 WT7 H ATOM 55197 H2 TIP3 1370 56.851 93.340 20.633 1.00 0.00 WT7 H ATOM 55198 OH2 TIP3 1381 81.615 58.995 59.178 1.00 0.00 WT7 O ATOM 55199 H1 TIP3 1381 81.479 59.175 60.109 1.00 0.00 WT7 H ATOM 55200 H2 TIP3 1381 81.282 59.774 58.732 1.00 0.00 WT7 H ATOM 55201 OH2 TIP3 1382 31.087 89.416 46.640 1.00 0.00 WT7 O ATOM 55202 H1 TIP3 1382 30.526 90.067 47.061 1.00 0.00 WT7 H ATOM 55203 H2 TIP3 1382 30.590 89.133 45.872 1.00 0.00 WT7 H ATOM 55204 OH2 TIP3 1383 87.873 92.996 29.855 1.00 0.00 WT7 O ATOM 55205 H1 TIP3 1383 87.666 93.564 29.113 1.00 0.00 WT7 H ATOM 55206 H2 TIP3 1383 88.568 93.458 30.324 1.00 0.00 WT7 H ATOM 55207 OH2 TIP3 1387 85.002 65.743 -10.779 1.00 0.00 WT7 O ATOM 55208 H1 TIP3 1387 84.523 66.466 -10.373 1.00 0.00 WT7 H ATOM 55209 H2 TIP3 1387 84.332 65.083 -10.957 1.00 0.00 WT7 H ATOM 55210 OH2 TIP3 1395 20.552 56.255 21.410 1.00 0.00 WT7 O ATOM 55211 H1 TIP3 1395 21.352 56.036 20.933 1.00 0.00 WT7 H ATOM 55212 H2 TIP3 1395 19.847 55.877 20.883 1.00 0.00 WT7 H ATOM 55213 OH2 TIP3 1399 88.163 38.148 2.653 1.00 0.00 WT7 O ATOM 55214 H1 TIP3 1399 88.236 38.383 3.578 1.00 0.00 WT7 H ATOM 55215 H2 TIP3 1399 89.030 37.815 2.421 1.00 0.00 WT7 H ATOM 55216 OH2 TIP3 1401 83.610 49.830 -6.552 1.00 0.00 WT7 O ATOM 55217 H1 TIP3 1401 84.372 50.409 -6.521 1.00 0.00 WT7 H ATOM 55218 H2 TIP3 1401 83.597 49.500 -7.450 1.00 0.00 WT7 H ATOM 55219 OH2 TIP3 1408 50.781 77.700 48.496 1.00 0.00 WT7 O ATOM 55220 H1 TIP3 1408 51.233 76.871 48.657 1.00 0.00 WT7 H ATOM 55221 H2 TIP3 1408 50.332 77.570 47.660 1.00 0.00 WT7 H ATOM 55222 OH2 TIP3 1409 79.912 15.551 40.353 1.00 0.00 WT7 O ATOM 55223 H1 TIP3 1409 80.387 16.371 40.214 1.00 0.00 WT7 H ATOM 55224 H2 TIP3 1409 80.301 15.180 41.145 1.00 0.00 WT7 H ATOM 55225 OH2 TIP3 1414 76.102 72.554 30.467 1.00 0.00 WT7 O ATOM 55226 H1 TIP3 1414 76.294 71.783 31.000 1.00 0.00 WT7 H ATOM 55227 H2 TIP3 1414 75.267 72.352 30.044 1.00 0.00 WT7 H ATOM 55228 OH2 TIP3 1429 76.015 24.719 65.813 1.00 0.00 WT7 O ATOM 55229 H1 TIP3 1429 75.617 23.921 65.464 1.00 0.00 WT7 H ATOM 55230 H2 TIP3 1429 75.421 25.420 65.547 1.00 0.00 WT7 H ATOM 55231 OH2 TIP3 1433 88.904 0.594 56.178 1.00 0.00 WT7 O ATOM 55232 H1 TIP3 1433 89.417 -0.211 56.253 1.00 0.00 WT7 H ATOM 55233 H2 TIP3 1433 88.710 0.839 57.083 1.00 0.00 WT7 H ATOM 55234 OH2 TIP3 1436 61.370 55.543 27.686 1.00 0.00 WT7 O ATOM 55235 H1 TIP3 1436 60.839 55.997 28.341 1.00 0.00 WT7 H ATOM 55236 H2 TIP3 1436 60.750 55.310 26.995 1.00 0.00 WT7 H ATOM 55237 OH2 TIP3 1440 80.499 55.750 -17.106 1.00 0.00 WT7 O ATOM 55238 H1 TIP3 1440 80.611 54.859 -17.439 1.00 0.00 WT7 H ATOM 55239 H2 TIP3 1440 80.655 55.675 -16.165 1.00 0.00 WT7 H ATOM 55240 OH2 TIP3 1445 67.387 78.572 41.566 1.00 0.00 WT7 O ATOM 55241 H1 TIP3 1445 67.481 79.521 41.484 1.00 0.00 WT7 H ATOM 55242 H2 TIP3 1445 67.452 78.246 40.668 1.00 0.00 WT7 H ATOM 55243 OH2 TIP3 1451 88.214 92.617 -14.069 1.00 0.00 WT7 O ATOM 55244 H1 TIP3 1451 87.461 92.388 -14.614 1.00 0.00 WT7 H ATOM 55245 H2 TIP3 1451 88.690 91.794 -13.958 1.00 0.00 WT7 H ATOM 55246 OH2 TIP3 1459 43.705 86.132 3.336 1.00 0.00 WT7 O ATOM 55247 H1 TIP3 1459 43.753 85.474 4.029 1.00 0.00 WT7 H ATOM 55248 H2 TIP3 1459 43.896 86.960 3.777 1.00 0.00 WT7 H ATOM 55249 OH2 TIP3 1476 90.448 26.449 58.320 1.00 0.00 WT7 O ATOM 55250 H1 TIP3 1476 91.225 26.204 58.823 1.00 0.00 WT7 H ATOM 55251 H2 TIP3 1476 89.823 25.743 58.486 1.00 0.00 WT7 H ATOM 55252 OH2 TIP3 1480 55.756 39.134 -1.633 1.00 0.00 WT7 O ATOM 55253 H1 TIP3 1480 55.755 39.210 -0.679 1.00 0.00 WT7 H ATOM 55254 H2 TIP3 1480 56.683 39.124 -1.872 1.00 0.00 WT7 H ATOM 55255 OH2 TIP3 1486 87.288 70.851 -2.104 1.00 0.00 WT7 O ATOM 55256 H1 TIP3 1486 87.964 70.270 -1.754 1.00 0.00 WT7 H ATOM 55257 H2 TIP3 1486 86.523 70.286 -2.219 1.00 0.00 WT7 H ATOM 55258 OH2 TIP3 1509 72.989 78.898 -8.592 1.00 0.00 WT7 O ATOM 55259 H1 TIP3 1509 73.046 79.164 -7.674 1.00 0.00 WT7 H ATOM 55260 H2 TIP3 1509 72.265 79.415 -8.947 1.00 0.00 WT7 H ATOM 55261 OH2 TIP3 1518 29.986 87.588 26.262 1.00 0.00 WT7 O ATOM 55262 H1 TIP3 1518 29.725 87.650 27.181 1.00 0.00 WT7 H ATOM 55263 H2 TIP3 1518 30.663 86.911 26.250 1.00 0.00 WT7 H ATOM 55264 OH2 TIP3 1524 66.225 83.662 62.716 1.00 0.00 WT7 O ATOM 55265 H1 TIP3 1524 65.807 83.597 63.575 1.00 0.00 WT7 H ATOM 55266 H2 TIP3 1524 67.115 83.961 62.904 1.00 0.00 WT7 H ATOM 55267 OH2 TIP3 1573 81.500 87.564 49.909 1.00 0.00 WT7 O ATOM 55268 H1 TIP3 1573 81.762 88.135 49.187 1.00 0.00 WT7 H ATOM 55269 H2 TIP3 1573 82.313 87.386 50.381 1.00 0.00 WT7 H ATOM 55270 OH2 TIP3 1592 83.580 50.239 13.079 1.00 0.00 WT7 O ATOM 55271 H1 TIP3 1592 83.554 51.179 12.902 1.00 0.00 WT7 H ATOM 55272 H2 TIP3 1592 84.367 49.931 12.630 1.00 0.00 WT7 H ATOM 55273 OH2 TIP3 1618 49.069 11.710 49.295 1.00 0.00 WT7 O ATOM 55274 H1 TIP3 1618 49.019 11.294 48.434 1.00 0.00 WT7 H ATOM 55275 H2 TIP3 1618 48.207 12.109 49.419 1.00 0.00 WT7 H ATOM 55276 OH2 TIP3 1725 51.532 68.398 6.821 1.00 0.00 WT7 O ATOM 55277 H1 TIP3 1725 52.187 67.808 7.193 1.00 0.00 WT7 H ATOM 55278 H2 TIP3 1725 50.777 68.318 7.404 1.00 0.00 WT7 H ATOM 55279 OH2 TIP3 1733 63.450 63.106 29.665 1.00 0.00 WT7 O ATOM 55280 H1 TIP3 1733 63.221 62.177 29.650 1.00 0.00 WT7 H ATOM 55281 H2 TIP3 1733 62.609 63.560 29.715 1.00 0.00 WT7 H ATOM 55282 OH2 TIP3 1771 22.884 34.741 34.214 1.00 0.00 WT7 O ATOM 55283 H1 TIP3 1771 22.107 34.978 34.720 1.00 0.00 WT7 H ATOM 55284 H2 TIP3 1771 22.996 35.461 33.594 1.00 0.00 WT7 H ATOM 55285 OH2 TIP3 1775 70.221 57.137 19.541 1.00 0.00 WT7 O ATOM 55286 H1 TIP3 1775 69.300 57.041 19.784 1.00 0.00 WT7 H ATOM 55287 H2 TIP3 1775 70.358 56.483 18.856 1.00 0.00 WT7 H ATOM 55288 OH2 TIP3 1778 52.373 8.786 6.921 1.00 0.00 WT7 O ATOM 55289 H1 TIP3 1778 51.555 8.337 6.709 1.00 0.00 WT7 H ATOM 55290 H2 TIP3 1778 52.304 8.983 7.855 1.00 0.00 WT7 H ATOM 55291 OH2 TIP3 1779 44.733 48.772 66.991 1.00 0.00 WT7 O ATOM 55292 H1 TIP3 1779 44.970 49.676 67.197 1.00 0.00 WT7 H ATOM 55293 H2 TIP3 1779 44.727 48.737 66.035 1.00 0.00 WT7 H ATOM 55294 OH2 TIP3 1812 85.550 64.450 20.224 1.00 0.00 WT7 O ATOM 55295 H1 TIP3 1812 86.291 63.847 20.290 1.00 0.00 WT7 H ATOM 55296 H2 TIP3 1812 84.997 64.075 19.538 1.00 0.00 WT7 H ATOM 55297 OH2 TIP3 1849 78.633 95.294 -18.542 1.00 0.00 WT7 O ATOM 55298 H1 TIP3 1849 78.766 95.719 -19.389 1.00 0.00 WT7 H ATOM 55299 H2 TIP3 1849 79.476 95.379 -18.096 1.00 0.00 WT7 H ATOM 55300 OH2 TIP3 1853 27.363 30.218 67.237 1.00 0.00 WT7 O ATOM 55301 H1 TIP3 1853 28.241 30.094 66.878 1.00 0.00 WT7 H ATOM 55302 H2 TIP3 1853 26.965 30.882 66.675 1.00 0.00 WT7 H ATOM 55303 OH2 TIP3 1858 38.470 12.315 21.155 1.00 0.00 WT7 O ATOM 55304 H1 TIP3 1858 38.119 11.626 21.719 1.00 0.00 WT7 H ATOM 55305 H2 TIP3 1858 39.420 12.213 21.214 1.00 0.00 WT7 H ATOM 55306 OH2 TIP3 1859 69.999 94.307 26.646 1.00 0.00 WT7 O ATOM 55307 H1 TIP3 1859 69.102 94.618 26.771 1.00 0.00 WT7 H ATOM 55308 H2 TIP3 1859 69.900 93.432 26.272 1.00 0.00 WT7 H ATOM 55309 OH2 TIP3 1864 65.104 87.360 43.201 1.00 0.00 WT7 O ATOM 55310 H1 TIP3 1864 66.031 87.122 43.234 1.00 0.00 WT7 H ATOM 55311 H2 TIP3 1864 64.997 88.004 43.901 1.00 0.00 WT7 H ATOM 55312 OH2 TIP3 1879 21.045 5.594 63.416 1.00 0.00 WT7 O ATOM 55313 H1 TIP3 1879 21.619 4.828 63.419 1.00 0.00 WT7 H ATOM 55314 H2 TIP3 1879 20.887 5.772 62.489 1.00 0.00 WT7 H ATOM 55315 OH2 TIP3 1880 51.887 16.941 -13.213 1.00 0.00 WT7 O ATOM 55316 H1 TIP3 1880 52.006 16.378 -13.977 1.00 0.00 WT7 H ATOM 55317 H2 TIP3 1880 52.473 17.682 -13.368 1.00 0.00 WT7 H ATOM 55318 OH2 TIP3 1882 32.820 50.986 34.772 1.00 0.00 WT7 O ATOM 55319 H1 TIP3 1882 33.383 51.662 34.394 1.00 0.00 WT7 H ATOM 55320 H2 TIP3 1882 32.978 51.042 35.714 1.00 0.00 WT7 H ATOM 55321 OH2 TIP3 1897 78.515 57.909 24.015 1.00 0.00 WT7 O ATOM 55322 H1 TIP3 1897 77.924 57.648 24.721 1.00 0.00 WT7 H ATOM 55323 H2 TIP3 1897 78.149 57.498 23.231 1.00 0.00 WT7 H ATOM 55324 OH2 TIP3 1898 34.430 70.368 -19.919 1.00 0.00 WT7 O ATOM 55325 H1 TIP3 1898 35.041 70.037 -19.260 1.00 0.00 WT7 H ATOM 55326 H2 TIP3 1898 34.276 69.623 -20.499 1.00 0.00 WT7 H ATOM 55327 OH2 TIP3 1925 32.854 35.905 8.792 1.00 0.00 WT7 O ATOM 55328 H1 TIP3 1925 33.034 35.139 8.247 1.00 0.00 WT7 H ATOM 55329 H2 TIP3 1925 32.511 36.558 8.183 1.00 0.00 WT7 H ATOM 55330 OH2 TIP3 1949 69.977 81.799 5.881 1.00 0.00 WT7 O ATOM 55331 H1 TIP3 1949 70.254 81.937 6.787 1.00 0.00 WT7 H ATOM 55332 H2 TIP3 1949 69.923 80.848 5.788 1.00 0.00 WT7 H ATOM 55333 OH2 TIP3 1960 69.426 27.716 32.159 1.00 0.00 WT7 O ATOM 55334 H1 TIP3 1960 69.150 28.619 32.312 1.00 0.00 WT7 H ATOM 55335 H2 TIP3 1960 69.958 27.759 31.364 1.00 0.00 WT7 H ATOM 55336 OH2 TIP3 1965 65.985 89.030 40.807 1.00 0.00 WT7 O ATOM 55337 H1 TIP3 1965 65.655 88.570 41.579 1.00 0.00 WT7 H ATOM 55338 H2 TIP3 1965 66.373 88.342 40.266 1.00 0.00 WT7 H ATOM 55339 OH2 TIP3 1994 88.181 83.113 55.967 1.00 0.00 WT7 O ATOM 55340 H1 TIP3 1994 88.705 83.574 55.312 1.00 0.00 WT7 H ATOM 55341 H2 TIP3 1994 88.556 82.233 55.999 1.00 0.00 WT7 H ATOM 55342 OH2 TIP3 2127 38.686 88.733 -4.802 1.00 0.00 WT7 O ATOM 55343 H1 TIP3 2127 39.634 88.615 -4.746 1.00 0.00 WT7 H ATOM 55344 H2 TIP3 2127 38.518 89.551 -4.334 1.00 0.00 WT7 H ATOM 55345 OH2 TIP3 2231 55.172 66.994 29.312 1.00 0.00 WT7 O ATOM 55346 H1 TIP3 2231 55.575 66.157 29.540 1.00 0.00 WT7 H ATOM 55347 H2 TIP3 2231 55.906 67.605 29.249 1.00 0.00 WT7 H ATOM 55348 OH2 TIP3 2236 69.082 62.055 -12.410 1.00 0.00 WT7 O ATOM 55349 H1 TIP3 2236 69.672 61.510 -12.932 1.00 0.00 WT7 H ATOM 55350 H2 TIP3 2236 68.359 62.262 -13.003 1.00 0.00 WT7 H ATOM 55351 OH2 TIP3 2268 59.628 57.234 23.608 1.00 0.00 WT7 O ATOM 55352 H1 TIP3 2268 59.479 56.637 22.874 1.00 0.00 WT7 H ATOM 55353 H2 TIP3 2268 58.758 57.574 23.820 1.00 0.00 WT7 H ATOM 55354 OH2 TIP3 2270 84.775 -0.176 61.447 1.00 0.00 WT7 O ATOM 55355 H1 TIP3 2270 85.721 -0.265 61.325 1.00 0.00 WT7 H ATOM 55356 H2 TIP3 2270 84.681 0.539 62.077 1.00 0.00 WT7 H ATOM 55357 OH2 TIP3 2282 68.488 49.361 -18.426 1.00 0.00 WT7 O ATOM 55358 H1 TIP3 2282 68.866 50.052 -17.882 1.00 0.00 WT7 H ATOM 55359 H2 TIP3 2282 68.574 49.686 -19.322 1.00 0.00 WT7 H ATOM 55360 OH2 TIP3 2288 86.194 79.283 0.326 1.00 0.00 WT7 O ATOM 55361 H1 TIP3 2288 87.100 79.111 0.583 1.00 0.00 WT7 H ATOM 55362 H2 TIP3 2288 85.729 78.472 0.531 1.00 0.00 WT7 H ATOM 55363 OH2 TIP3 2293 72.540 37.767 39.258 1.00 0.00 WT7 O ATOM 55364 H1 TIP3 2293 72.042 37.313 38.578 1.00 0.00 WT7 H ATOM 55365 H2 TIP3 2293 73.455 37.660 38.996 1.00 0.00 WT7 H ATOM 55366 OH2 TIP3 2317 27.172 84.980 -18.468 1.00 0.00 WT7 O ATOM 55367 H1 TIP3 2317 27.048 85.695 -17.843 1.00 0.00 WT7 H ATOM 55368 H2 TIP3 2317 27.755 84.368 -18.019 1.00 0.00 WT7 H ATOM 55369 OH2 TIP3 2324 88.192 81.758 67.211 1.00 0.00 WT7 O ATOM 55370 H1 TIP3 2324 88.229 80.983 66.650 1.00 0.00 WT7 H ATOM 55371 H2 TIP3 2324 88.781 81.557 67.938 1.00 0.00 WT7 H ATOM 55372 OH2 TIP3 2327 24.644 63.691 13.262 1.00 0.00 WT7 O ATOM 55373 H1 TIP3 2327 24.879 63.273 14.090 1.00 0.00 WT7 H ATOM 55374 H2 TIP3 2327 24.905 64.605 13.371 1.00 0.00 WT7 H ATOM 55375 OH2 TIP3 2357 23.287 54.643 15.046 1.00 0.00 WT7 O ATOM 55376 H1 TIP3 2357 23.240 55.051 14.181 1.00 0.00 WT7 H ATOM 55377 H2 TIP3 2357 23.894 53.912 14.934 1.00 0.00 WT7 H ATOM 55378 OH2 TIP3 2358 52.386 21.748 2.301 1.00 0.00 WT7 O ATOM 55379 H1 TIP3 2358 52.151 21.080 2.945 1.00 0.00 WT7 H ATOM 55380 H2 TIP3 2358 53.229 22.086 2.604 1.00 0.00 WT7 H ATOM 55381 OH2 TIP3 2408 46.996 51.064 -8.194 1.00 0.00 WT7 O ATOM 55382 H1 TIP3 2408 46.623 50.382 -7.635 1.00 0.00 WT7 H ATOM 55383 H2 TIP3 2408 46.379 51.794 -8.126 1.00 0.00 WT7 H ATOM 55384 OH2 TIP3 2411 36.797 13.427 48.940 1.00 0.00 WT7 O ATOM 55385 H1 TIP3 2411 36.896 14.373 49.040 1.00 0.00 WT7 H ATOM 55386 H2 TIP3 2411 37.224 13.227 48.107 1.00 0.00 WT7 H ATOM 55387 OH2 TIP3 2629 31.358 74.913 49.967 1.00 0.00 WT7 O ATOM 55388 H1 TIP3 2629 30.824 74.493 50.642 1.00 0.00 WT7 H ATOM 55389 H2 TIP3 2629 30.860 74.792 49.159 1.00 0.00 WT7 H ATOM 55390 OH2 TIP3 2644 64.358 22.287 -1.331 1.00 0.00 WT7 O ATOM 55391 H1 TIP3 2644 63.925 22.686 -0.576 1.00 0.00 WT7 H ATOM 55392 H2 TIP3 2644 64.729 21.473 -0.992 1.00 0.00 WT7 H ATOM 55393 OH2 TIP3 2705 27.000 29.769 52.323 1.00 0.00 WT7 O ATOM 55394 H1 TIP3 2705 27.125 30.025 53.236 1.00 0.00 WT7 H ATOM 55395 H2 TIP3 2705 26.146 29.336 52.309 1.00 0.00 WT7 H ATOM 55396 OH2 TIP3 2714 82.292 80.315 10.517 1.00 0.00 WT7 O ATOM 55397 H1 TIP3 2714 82.662 79.542 10.091 1.00 0.00 WT7 H ATOM 55398 H2 TIP3 2714 82.659 80.301 11.401 1.00 0.00 WT7 H ATOM 55399 OH2 TIP3 2759 76.712 81.995 65.263 1.00 0.00 WT7 O ATOM 55400 H1 TIP3 2759 77.328 81.457 65.760 1.00 0.00 WT7 H ATOM 55401 H2 TIP3 2759 76.352 82.605 65.907 1.00 0.00 WT7 H ATOM 55402 OH2 TIP3 2780 68.195 64.321 13.313 1.00 0.00 WT7 O ATOM 55403 H1 TIP3 2780 68.993 64.349 12.785 1.00 0.00 WT7 H ATOM 55404 H2 TIP3 2780 67.583 63.797 12.796 1.00 0.00 WT7 H ATOM 55405 OH2 TIP3 2855 54.132 4.233 14.324 1.00 0.00 WT7 O ATOM 55406 H1 TIP3 2855 53.874 3.642 15.031 1.00 0.00 WT7 H ATOM 55407 H2 TIP3 2855 53.442 4.895 14.301 1.00 0.00 WT7 H ATOM 55408 OH2 TIP3 2872 32.651 93.730 43.437 1.00 0.00 WT7 O ATOM 55409 H1 TIP3 2872 32.388 93.047 42.819 1.00 0.00 WT7 H ATOM 55410 H2 TIP3 2872 31.837 94.185 43.652 1.00 0.00 WT7 H ATOM 55411 OH2 TIP3 2895 34.483 95.804 8.196 1.00 0.00 WT7 O ATOM 55412 H1 TIP3 2895 35.032 95.138 8.610 1.00 0.00 WT7 H ATOM 55413 H2 TIP3 2895 34.309 95.461 7.320 1.00 0.00 WT7 H ATOM 55414 OH2 TIP3 3287 90.387 87.598 3.454 1.00 0.00 WT7 O ATOM 55415 H1 TIP3 3287 89.782 86.863 3.556 1.00 0.00 WT7 H ATOM 55416 H2 TIP3 3287 90.007 88.298 3.984 1.00 0.00 WT7 H ATOM 55417 OH2 TIP3 3294 49.196 75.339 62.430 1.00 0.00 WT7 O ATOM 55418 H1 TIP3 3294 49.755 75.039 61.714 1.00 0.00 WT7 H ATOM 55419 H2 TIP3 3294 48.329 75.430 62.035 1.00 0.00 WT7 H ATOM 55420 OH2 TIP3 3521 61.338 82.468 40.398 1.00 0.00 WT7 O ATOM 55421 H1 TIP3 3521 62.065 82.764 39.850 1.00 0.00 WT7 H ATOM 55422 H2 TIP3 3521 61.731 81.830 40.993 1.00 0.00 WT7 H ATOM 55423 OH2 TIP3 3665 66.243 74.527 19.087 1.00 0.00 WT7 O ATOM 55424 H1 TIP3 3665 65.961 75.245 18.520 1.00 0.00 WT7 H ATOM 55425 H2 TIP3 3665 65.440 74.227 19.513 1.00 0.00 WT7 H ATOM 55426 OH2 TIP3 5421 29.161 58.388 36.624 1.00 0.00 WT7 O ATOM 55427 H1 TIP3 5421 28.582 59.148 36.669 1.00 0.00 WT7 H ATOM 55428 H2 TIP3 5421 29.947 58.656 37.099 1.00 0.00 WT7 H ATOM 55429 OH2 TIP3 6240 56.004 39.197 45.244 1.00 0.00 WT7 O ATOM 55430 H1 TIP3 6240 55.895 39.987 45.773 1.00 0.00 WT7 H ATOM 55431 H2 TIP3 6240 55.299 39.242 44.598 1.00 0.00 WT7 H ATOM 55432 OH2 TIP3 6350 63.342 66.463 29.301 1.00 0.00 WT7 O ATOM 55433 H1 TIP3 6350 62.412 66.279 29.169 1.00 0.00 WT7 H ATOM 55434 H2 TIP3 6350 63.533 66.124 30.175 1.00 0.00 WT7 H ATOM 55435 OH2 TIP3 6628 47.551 12.882 23.916 1.00 0.00 WT7 O ATOM 55436 H1 TIP3 6628 47.105 12.310 23.291 1.00 0.00 WT7 H ATOM 55437 H2 TIP3 6628 47.658 13.711 23.449 1.00 0.00 WT7 H ATOM 55438 OH2 TIP3 6650 82.921 29.097 49.797 1.00 0.00 WT7 O ATOM 55439 H1 TIP3 6650 83.719 29.169 49.272 1.00 0.00 WT7 H ATOM 55440 H2 TIP3 6650 82.772 29.981 50.130 1.00 0.00 WT7 H ATOM 55441 OH2 TIP3 6671 27.390 51.373 62.648 1.00 0.00 WT7 O ATOM 55442 H1 TIP3 6671 26.925 50.894 63.334 1.00 0.00 WT7 H ATOM 55443 H2 TIP3 6671 28.163 51.730 63.086 1.00 0.00 WT7 H ATOM 55444 OH2 TIP3 6751 57.535 84.595 64.191 1.00 0.00 WT7 O ATOM 55445 H1 TIP3 6751 56.704 84.728 64.648 1.00 0.00 WT7 H ATOM 55446 H2 TIP3 6751 57.364 83.869 63.590 1.00 0.00 WT7 H ATOM 55447 OH2 TIP3 6773 41.764 20.519 26.060 1.00 0.00 WT7 O ATOM 55448 H1 TIP3 6773 42.405 20.640 25.360 1.00 0.00 WT7 H ATOM 55449 H2 TIP3 6773 41.193 19.818 25.746 1.00 0.00 WT7 H ATOM 55450 OH2 TIP3 7027 69.239 41.540 -8.924 1.00 0.00 WT7 O ATOM 55451 H1 TIP3 7027 68.378 41.319 -8.570 1.00 0.00 WT7 H ATOM 55452 H2 TIP3 7027 69.129 41.490 -9.873 1.00 0.00 WT7 H ATOM 55453 OH2 TIP3 7114 45.097 47.088 -18.343 1.00 0.00 WT7 O ATOM 55454 H1 TIP3 7114 44.834 46.339 -18.879 1.00 0.00 WT7 H ATOM 55455 H2 TIP3 7114 44.759 47.850 -18.813 1.00 0.00 WT7 H ATOM 55456 OH2 TIP3 7133 64.869 87.991 10.225 1.00 0.00 WT7 O ATOM 55457 H1 TIP3 7133 64.261 87.417 10.690 1.00 0.00 WT7 H ATOM 55458 H2 TIP3 7133 64.307 88.560 9.699 1.00 0.00 WT7 H ATOM 55459 OH2 TIP3 7165 67.378 29.864 0.286 1.00 0.00 WT7 O ATOM 55460 H1 TIP3 7165 67.711 29.976 1.176 1.00 0.00 WT7 H ATOM 55461 H2 TIP3 7165 66.427 29.935 0.374 1.00 0.00 WT7 H ATOM 55462 OH2 TIP3 7214 72.829 21.202 0.154 1.00 0.00 WT7 O ATOM 55463 H1 TIP3 7214 73.645 21.556 -0.199 1.00 0.00 WT7 H ATOM 55464 H2 TIP3 7214 72.601 21.794 0.871 1.00 0.00 WT7 H ATOM 55465 OH2 TIP3 7295 26.376 75.772 63.468 1.00 0.00 WT7 O ATOM 55466 H1 TIP3 7295 25.771 76.080 64.143 1.00 0.00 WT7 H ATOM 55467 H2 TIP3 7295 26.631 74.896 63.757 1.00 0.00 WT7 H ATOM 55468 OH2 TIP3 7532 34.646 86.573 -13.767 1.00 0.00 WT7 O ATOM 55469 H1 TIP3 7532 34.637 86.746 -14.709 1.00 0.00 WT7 H ATOM 55470 H2 TIP3 7532 34.135 87.288 -13.388 1.00 0.00 WT7 H ATOM 55471 OH2 TIP3 7537 47.968 35.787 -9.282 1.00 0.00 WT7 O ATOM 55472 H1 TIP3 7537 48.013 35.411 -8.403 1.00 0.00 WT7 H ATOM 55473 H2 TIP3 7537 47.050 35.689 -9.538 1.00 0.00 WT7 H ATOM 55474 OH2 TIP3 7563 53.020 90.138 -15.253 1.00 0.00 WT7 O ATOM 55475 H1 TIP3 7563 53.541 89.901 -14.485 1.00 0.00 WT7 H ATOM 55476 H2 TIP3 7563 52.935 89.322 -15.746 1.00 0.00 WT7 H ATOM 55477 OH2 TIP3 7568 38.575 80.072 55.892 1.00 0.00 WT7 O ATOM 55478 H1 TIP3 7568 38.344 80.844 56.408 1.00 0.00 WT7 H ATOM 55479 H2 TIP3 7568 38.268 80.273 55.008 1.00 0.00 WT7 H ATOM 55480 OH2 TIP3 7576 63.193 53.538 -4.683 1.00 0.00 WT7 O ATOM 55481 H1 TIP3 7576 63.199 54.441 -4.365 1.00 0.00 WT7 H ATOM 55482 H2 TIP3 7576 62.388 53.164 -4.325 1.00 0.00 WT7 H ATOM 55483 OH2 TIP3 7583 55.407 39.692 36.921 1.00 0.00 WT7 O ATOM 55484 H1 TIP3 7583 54.576 40.094 36.667 1.00 0.00 WT7 H ATOM 55485 H2 TIP3 7583 55.423 38.857 36.452 1.00 0.00 WT7 H ATOM 55486 OH2 TIP3 7592 31.922 78.285 41.768 1.00 0.00 WT7 O ATOM 55487 H1 TIP3 7592 31.473 77.866 42.502 1.00 0.00 WT7 H ATOM 55488 H2 TIP3 7592 31.594 79.184 41.768 1.00 0.00 WT7 H ATOM 55489 OH2 TIP3 7607 61.246 51.981 -18.131 1.00 0.00 WT7 O ATOM 55490 H1 TIP3 7607 61.736 52.801 -18.070 1.00 0.00 WT7 H ATOM 55491 H2 TIP3 7607 60.388 52.186 -17.760 1.00 0.00 WT7 H ATOM 55492 OH2 TIP3 7630 76.721 44.578 44.198 1.00 0.00 WT7 O ATOM 55493 H1 TIP3 7630 76.203 44.653 44.999 1.00 0.00 WT7 H ATOM 55494 H2 TIP3 7630 76.757 45.469 43.850 1.00 0.00 WT7 H ATOM 55495 OH2 TIP3 7631 58.304 42.541 -9.543 1.00 0.00 WT7 O ATOM 55496 H1 TIP3 7631 58.649 41.649 -9.506 1.00 0.00 WT7 H ATOM 55497 H2 TIP3 7631 57.721 42.542 -10.302 1.00 0.00 WT7 H ATOM 55498 OH2 TIP3 7634 41.873 9.517 52.119 1.00 0.00 WT7 O ATOM 55499 H1 TIP3 7634 41.638 9.007 52.894 1.00 0.00 WT7 H ATOM 55500 H2 TIP3 7634 42.788 9.760 52.259 1.00 0.00 WT7 H ATOM 55501 OH2 TIP3 7642 75.751 84.909 51.181 1.00 0.00 WT7 O ATOM 55502 H1 TIP3 7642 75.113 84.205 51.068 1.00 0.00 WT7 H ATOM 55503 H2 TIP3 7642 76.529 84.605 50.714 1.00 0.00 WT7 H ATOM 55504 OH2 TIP3 7647 50.133 0.501 -1.609 1.00 0.00 WT7 O ATOM 55505 H1 TIP3 7647 50.978 0.160 -1.317 1.00 0.00 WT7 H ATOM 55506 H2 TIP3 7647 49.875 1.120 -0.927 1.00 0.00 WT7 H ATOM 55507 OH2 TIP3 7650 26.805 18.106 53.797 1.00 0.00 WT7 O ATOM 55508 H1 TIP3 7650 27.381 18.161 54.560 1.00 0.00 WT7 H ATOM 55509 H2 TIP3 7650 26.737 17.169 53.614 1.00 0.00 WT7 H ATOM 55510 OH2 TIP3 7661 64.366 78.338 -11.652 1.00 0.00 WT7 O ATOM 55511 H1 TIP3 7661 64.844 78.267 -10.825 1.00 0.00 WT7 H ATOM 55512 H2 TIP3 7661 63.848 77.535 -11.700 1.00 0.00 WT7 H ATOM 55513 OH2 TIP3 7707 51.477 40.409 -11.797 1.00 0.00 WT7 O ATOM 55514 H1 TIP3 7707 51.728 40.108 -10.923 1.00 0.00 WT7 H ATOM 55515 H2 TIP3 7707 51.131 39.628 -12.229 1.00 0.00 WT7 H ATOM 55516 OH2 TIP3 7739 38.113 57.539 2.170 1.00 0.00 WT7 O ATOM 55517 H1 TIP3 7739 38.489 57.816 3.006 1.00 0.00 WT7 H ATOM 55518 H2 TIP3 7739 38.179 58.312 1.609 1.00 0.00 WT7 H ATOM 55519 OH2 TIP3 7876 48.965 31.913 5.439 1.00 0.00 WT7 O ATOM 55520 H1 TIP3 7876 49.646 32.259 6.016 1.00 0.00 WT7 H ATOM 55521 H2 TIP3 7876 48.186 32.427 5.653 1.00 0.00 WT7 H ATOM 55522 OH2 TIP3 7951 79.337 68.743 21.462 1.00 0.00 WT7 O ATOM 55523 H1 TIP3 7951 79.293 68.609 20.515 1.00 0.00 WT7 H ATOM 55524 H2 TIP3 7951 78.475 68.478 21.782 1.00 0.00 WT7 H ATOM 55525 OH2 TIP3 7961 36.830 95.265 4.795 1.00 0.00 WT7 O ATOM 55526 H1 TIP3 7961 36.108 95.889 4.712 1.00 0.00 WT7 H ATOM 55527 H2 TIP3 7961 36.735 94.904 5.676 1.00 0.00 WT7 H ATOM 55528 OH2 TIP3 7978 63.876 13.842 38.565 1.00 0.00 WT7 O ATOM 55529 H1 TIP3 7978 64.011 14.616 38.019 1.00 0.00 WT7 H ATOM 55530 H2 TIP3 7978 64.700 13.737 39.040 1.00 0.00 WT7 H ATOM 55531 OH2 TIP3 7985 24.861 13.576 -12.100 1.00 0.00 WT7 O ATOM 55532 H1 TIP3 7985 25.049 14.035 -12.919 1.00 0.00 WT7 H ATOM 55533 H2 TIP3 7985 24.893 12.648 -12.333 1.00 0.00 WT7 H ATOM 55534 OH2 TIP3 7997 44.208 89.553 43.797 1.00 0.00 WT7 O ATOM 55535 H1 TIP3 7997 43.327 89.214 43.954 1.00 0.00 WT7 H ATOM 55536 H2 TIP3 7997 44.416 90.054 44.586 1.00 0.00 WT7 H ATOM 55537 OH2 TIP3 7998 36.593 1.095 -9.820 1.00 0.00 WT7 O ATOM 55538 H1 TIP3 7998 35.665 1.304 -9.920 1.00 0.00 WT7 H ATOM 55539 H2 TIP3 7998 37.017 1.942 -9.682 1.00 0.00 WT7 H ATOM 55540 OH2 TIP3 8009 49.927 28.677 29.501 1.00 0.00 WT7 O ATOM 55541 H1 TIP3 8009 49.095 29.147 29.434 1.00 0.00 WT7 H ATOM 55542 H2 TIP3 8009 50.463 29.039 28.796 1.00 0.00 WT7 H ATOM 55543 OH2 TIP3 8014 71.773 91.335 25.521 1.00 0.00 WT7 O ATOM 55544 H1 TIP3 8014 70.867 91.471 25.245 1.00 0.00 WT7 H ATOM 55545 H2 TIP3 8014 72.099 90.645 24.943 1.00 0.00 WT7 H ATOM 55546 OH2 TIP3 8023 90.794 78.516 9.265 1.00 0.00 WT7 O ATOM 55547 H1 TIP3 8023 91.193 78.045 9.996 1.00 0.00 WT7 H ATOM 55548 H2 TIP3 8023 89.884 78.221 9.257 1.00 0.00 WT7 H ATOM 55549 OH2 TIP3 8024 65.484 8.191 38.339 1.00 0.00 WT7 O ATOM 55550 H1 TIP3 8024 64.566 8.398 38.162 1.00 0.00 WT7 H ATOM 55551 H2 TIP3 8024 65.476 7.787 39.207 1.00 0.00 WT7 H ATOM 55552 OH2 TIP3 8031 68.601 60.085 -5.819 1.00 0.00 WT7 O ATOM 55553 H1 TIP3 8031 68.628 59.362 -5.192 1.00 0.00 WT7 H ATOM 55554 H2 TIP3 8031 67.764 60.518 -5.651 1.00 0.00 WT7 H ATOM 55555 OH2 TIP3 8034 51.818 63.533 48.720 1.00 0.00 WT7 O ATOM 55556 H1 TIP3 8034 52.380 63.421 47.953 1.00 0.00 WT7 H ATOM 55557 H2 TIP3 8034 52.262 63.047 49.415 1.00 0.00 WT7 H ATOM 55558 OH2 TIP3 8046 53.974 88.635 30.066 1.00 0.00 WT7 O ATOM 55559 H1 TIP3 8046 53.717 87.929 30.659 1.00 0.00 WT7 H ATOM 55560 H2 TIP3 8046 53.191 88.803 29.540 1.00 0.00 WT7 H ATOM 55561 OH2 TIP3 8064 45.024 79.906 -18.099 1.00 0.00 WT7 O ATOM 55562 H1 TIP3 8064 44.930 80.810 -18.401 1.00 0.00 WT7 H ATOM 55563 H2 TIP3 8064 45.818 79.590 -18.531 1.00 0.00 WT7 H ATOM 55564 OH2 TIP3 8067 67.802 82.466 46.088 1.00 0.00 WT7 O ATOM 55565 H1 TIP3 8067 67.559 82.278 46.995 1.00 0.00 WT7 H ATOM 55566 H2 TIP3 8067 67.490 81.707 45.594 1.00 0.00 WT7 H ATOM 55567 OH2 TIP3 8068 80.149 84.723 7.221 1.00 0.00 WT7 O ATOM 55568 H1 TIP3 8068 80.858 84.132 7.475 1.00 0.00 WT7 H ATOM 55569 H2 TIP3 8068 79.878 84.415 6.357 1.00 0.00 WT7 H ATOM 55570 OH2 TIP3 8079 87.382 53.210 15.727 1.00 0.00 WT7 O ATOM 55571 H1 TIP3 8079 87.714 53.373 14.845 1.00 0.00 WT7 H ATOM 55572 H2 TIP3 8079 86.678 52.573 15.605 1.00 0.00 WT7 H ATOM 55573 OH2 TIP3 8123 38.341 65.607 1.722 1.00 0.00 WT7 O ATOM 55574 H1 TIP3 8123 37.481 65.844 2.071 1.00 0.00 WT7 H ATOM 55575 H2 TIP3 8123 38.947 65.779 2.442 1.00 0.00 WT7 H ATOM 55576 OH2 TIP3 8133 24.975 63.145 -7.234 1.00 0.00 WT7 O ATOM 55577 H1 TIP3 8133 24.175 62.781 -6.855 1.00 0.00 WT7 H ATOM 55578 H2 TIP3 8133 25.632 62.459 -7.112 1.00 0.00 WT7 H ATOM 55579 OH2 TIP3 8161 71.001 10.723 40.339 1.00 0.00 WT7 O ATOM 55580 H1 TIP3 8161 71.638 11.148 39.764 1.00 0.00 WT7 H ATOM 55581 H2 TIP3 8161 70.361 10.334 39.743 1.00 0.00 WT7 H ATOM 55582 OH2 TIP3 8174 33.157 59.068 31.894 1.00 0.00 WT7 O ATOM 55583 H1 TIP3 8174 33.935 59.230 31.360 1.00 0.00 WT7 H ATOM 55584 H2 TIP3 8174 33.079 59.845 32.448 1.00 0.00 WT7 H ATOM 55585 OH2 TIP3 8183 39.113 3.510 0.736 1.00 0.00 WT7 O ATOM 55586 H1 TIP3 8183 39.006 2.597 0.468 1.00 0.00 WT7 H ATOM 55587 H2 TIP3 8183 38.521 3.611 1.482 1.00 0.00 WT7 H ATOM 55588 OH2 TIP3 8270 87.874 5.442 52.711 1.00 0.00 WT7 O ATOM 55589 H1 TIP3 8270 87.931 4.487 52.722 1.00 0.00 WT7 H ATOM 55590 H2 TIP3 8270 88.776 5.735 52.577 1.00 0.00 WT7 H ATOM 55591 OH2 TIP3 8290 35.544 20.099 48.296 1.00 0.00 WT7 O ATOM 55592 H1 TIP3 8290 35.477 20.431 49.192 1.00 0.00 WT7 H ATOM 55593 H2 TIP3 8290 35.274 19.183 48.359 1.00 0.00 WT7 H ATOM 55594 OH2 TIP3 8309 83.868 55.340 27.822 1.00 0.00 WT7 O ATOM 55595 H1 TIP3 8309 83.157 55.250 27.188 1.00 0.00 WT7 H ATOM 55596 H2 TIP3 8309 84.632 54.972 27.379 1.00 0.00 WT7 H ATOM 55597 OH2 TIP3 8375 25.606 73.008 15.532 1.00 0.00 WT7 O ATOM 55598 H1 TIP3 8375 26.237 72.614 14.930 1.00 0.00 WT7 H ATOM 55599 H2 TIP3 8375 25.320 72.283 16.089 1.00 0.00 WT7 H ATOM 55600 OH2 TIP3 8376 36.101 2.431 11.167 1.00 0.00 WT7 O ATOM 55601 H1 TIP3 8376 35.483 3.025 10.741 1.00 0.00 WT7 H ATOM 55602 H2 TIP3 8376 36.551 2.976 11.812 1.00 0.00 WT7 H ATOM 55603 OH2 TIP3 8393 21.075 72.601 35.706 1.00 0.00 WT7 O ATOM 55604 H1 TIP3 8393 21.544 73.196 36.292 1.00 0.00 WT7 H ATOM 55605 H2 TIP3 8393 20.353 73.125 35.360 1.00 0.00 WT7 H ATOM 55606 OH2 TIP3 8395 39.587 95.407 -4.455 1.00 0.00 WT7 O ATOM 55607 H1 TIP3 8395 38.756 95.712 -4.821 1.00 0.00 WT7 H ATOM 55608 H2 TIP3 8395 39.627 94.480 -4.691 1.00 0.00 WT7 H ATOM 55609 OH2 TIP3 8403 24.510 49.858 66.588 1.00 0.00 WT7 O ATOM 55610 H1 TIP3 8403 24.221 50.483 67.253 1.00 0.00 WT7 H ATOM 55611 H2 TIP3 8403 24.822 49.103 67.087 1.00 0.00 WT7 H ATOM 55612 OH2 TIP3 8408 24.641 87.724 51.204 1.00 0.00 WT7 O ATOM 55613 H1 TIP3 8408 23.938 88.329 51.443 1.00 0.00 WT7 H ATOM 55614 H2 TIP3 8408 24.896 87.990 50.321 1.00 0.00 WT7 H ATOM 55615 OH2 TIP3 8411 59.925 82.982 0.841 1.00 0.00 WT7 O ATOM 55616 H1 TIP3 8411 59.148 83.015 0.284 1.00 0.00 WT7 H ATOM 55617 H2 TIP3 8411 60.190 82.062 0.829 1.00 0.00 WT7 H ATOM 55618 OH2 TIP3 8414 79.660 87.369 46.076 1.00 0.00 WT7 O ATOM 55619 H1 TIP3 8414 78.918 86.777 45.954 1.00 0.00 WT7 H ATOM 55620 H2 TIP3 8414 79.316 88.075 46.624 1.00 0.00 WT7 H ATOM 55621 OH2 TIP3 8419 65.437 58.550 -7.926 1.00 0.00 WT7 O ATOM 55622 H1 TIP3 8419 66.157 58.385 -7.318 1.00 0.00 WT7 H ATOM 55623 H2 TIP3 8419 64.752 57.937 -7.660 1.00 0.00 WT7 H ATOM 55624 OH2 TIP3 8425 36.952 57.189 27.211 1.00 0.00 WT7 O ATOM 55625 H1 TIP3 8425 36.967 58.088 27.539 1.00 0.00 WT7 H ATOM 55626 H2 TIP3 8425 37.833 56.856 27.383 1.00 0.00 WT7 H ATOM 55627 OH2 TIP3 8440 53.525 53.343 -15.367 1.00 0.00 WT7 O ATOM 55628 H1 TIP3 8440 53.868 53.932 -14.695 1.00 0.00 WT7 H ATOM 55629 H2 TIP3 8440 53.805 52.471 -15.087 1.00 0.00 WT7 H ATOM 55630 OH2 TIP3 8448 46.292 92.041 24.188 1.00 0.00 WT7 O ATOM 55631 H1 TIP3 8448 45.622 92.653 24.493 1.00 0.00 WT7 H ATOM 55632 H2 TIP3 8448 45.841 91.490 23.548 1.00 0.00 WT7 H ATOM 55633 OH2 TIP3 8452 74.888 1.151 -11.990 1.00 0.00 WT7 O ATOM 55634 H1 TIP3 8452 75.389 0.381 -11.721 1.00 0.00 WT7 H ATOM 55635 H2 TIP3 8452 73.985 0.839 -12.052 1.00 0.00 WT7 H ATOM 55636 OH2 TIP3 8459 31.693 16.675 45.587 1.00 0.00 WT7 O ATOM 55637 H1 TIP3 8459 32.225 17.381 45.220 1.00 0.00 WT7 H ATOM 55638 H2 TIP3 8459 31.997 15.886 45.138 1.00 0.00 WT7 H ATOM 55639 OH2 TIP3 8466 20.708 92.407 33.536 1.00 0.00 WT7 O ATOM 55640 H1 TIP3 8466 21.066 91.670 33.042 1.00 0.00 WT7 H ATOM 55641 H2 TIP3 8466 21.131 92.350 34.393 1.00 0.00 WT7 H ATOM 55642 OH2 TIP3 8468 73.776 63.750 66.992 1.00 0.00 WT7 O ATOM 55643 H1 TIP3 8468 73.655 64.461 67.621 1.00 0.00 WT7 H ATOM 55644 H2 TIP3 8468 74.725 63.633 66.942 1.00 0.00 WT7 H ATOM 55645 OH2 TIP3 8492 85.532 94.680 25.858 1.00 0.00 WT7 O ATOM 55646 H1 TIP3 8492 86.177 94.054 25.528 1.00 0.00 WT7 H ATOM 55647 H2 TIP3 8492 84.815 94.642 25.225 1.00 0.00 WT7 H ATOM 55648 OH2 TIP3 8500 78.750 84.566 63.338 1.00 0.00 WT7 O ATOM 55649 H1 TIP3 8500 79.004 83.683 63.609 1.00 0.00 WT7 H ATOM 55650 H2 TIP3 8500 78.146 84.429 62.608 1.00 0.00 WT7 H ATOM 55651 OH2 TIP3 8518 87.499 51.472 63.409 1.00 0.00 WT7 O ATOM 55652 H1 TIP3 8518 87.412 52.240 63.974 1.00 0.00 WT7 H ATOM 55653 H2 TIP3 8518 88.401 51.509 63.091 1.00 0.00 WT7 H ATOM 55654 OH2 TIP3 8520 80.612 53.034 24.353 1.00 0.00 WT7 O ATOM 55655 H1 TIP3 8520 81.299 52.754 23.748 1.00 0.00 WT7 H ATOM 55656 H2 TIP3 8520 80.913 52.739 25.212 1.00 0.00 WT7 H ATOM 55657 OH2 TIP3 8534 80.953 87.686 9.804 1.00 0.00 WT7 O ATOM 55658 H1 TIP3 8534 81.667 88.026 10.343 1.00 0.00 WT7 H ATOM 55659 H2 TIP3 8534 81.250 86.818 9.533 1.00 0.00 WT7 H ATOM 55660 OH2 TIP3 8536 77.869 79.282 25.036 1.00 0.00 WT7 O ATOM 55661 H1 TIP3 8536 77.000 79.263 25.435 1.00 0.00 WT7 H ATOM 55662 H2 TIP3 8536 78.474 79.196 25.773 1.00 0.00 WT7 H ATOM 55663 OH2 TIP3 8537 88.708 85.807 60.234 1.00 0.00 WT7 O ATOM 55664 H1 TIP3 8537 89.004 85.310 59.471 1.00 0.00 WT7 H ATOM 55665 H2 TIP3 8537 88.335 85.148 60.820 1.00 0.00 WT7 H ATOM 55666 OH2 TIP3 8549 63.565 91.745 -5.662 1.00 0.00 WT7 O ATOM 55667 H1 TIP3 8549 62.700 91.842 -6.059 1.00 0.00 WT7 H ATOM 55668 H2 TIP3 8549 63.491 92.182 -4.813 1.00 0.00 WT7 H ATOM 55669 OH2 TIP3 8556 60.074 15.067 18.292 1.00 0.00 WT7 O ATOM 55670 H1 TIP3 8556 60.492 14.666 19.054 1.00 0.00 WT7 H ATOM 55671 H2 TIP3 8556 60.625 15.822 18.085 1.00 0.00 WT7 H ATOM 55672 OH2 TIP3 8558 44.517 30.252 56.477 1.00 0.00 WT7 O ATOM 55673 H1 TIP3 8558 43.808 30.845 56.726 1.00 0.00 WT7 H ATOM 55674 H2 TIP3 8558 45.316 30.717 56.725 1.00 0.00 WT7 H ATOM 55675 OH2 TIP3 8560 58.494 4.238 64.196 1.00 0.00 WT7 O ATOM 55676 H1 TIP3 8560 58.728 5.157 64.323 1.00 0.00 WT7 H ATOM 55677 H2 TIP3 8560 59.262 3.850 63.777 1.00 0.00 WT7 H ATOM 55678 OH2 TIP3 8566 71.256 54.436 -10.597 1.00 0.00 WT7 O ATOM 55679 H1 TIP3 8566 70.733 54.882 -11.263 1.00 0.00 WT7 H ATOM 55680 H2 TIP3 8566 71.770 53.793 -11.085 1.00 0.00 WT7 H ATOM 55681 OH2 TIP3 8567 20.467 21.763 -2.040 1.00 0.00 WT7 O ATOM 55682 H1 TIP3 8567 19.611 22.191 -2.081 1.00 0.00 WT7 H ATOM 55683 H2 TIP3 8567 20.929 22.219 -1.337 1.00 0.00 WT7 H ATOM 55684 OH2 TIP3 8574 34.713 30.570 52.976 1.00 0.00 WT7 O ATOM 55685 H1 TIP3 8574 33.866 30.995 52.842 1.00 0.00 WT7 H ATOM 55686 H2 TIP3 8574 34.494 29.672 53.226 1.00 0.00 WT7 H ATOM 55687 OH2 TIP3 8585 82.808 6.573 56.078 1.00 0.00 WT7 O ATOM 55688 H1 TIP3 8585 82.781 7.475 56.397 1.00 0.00 WT7 H ATOM 55689 H2 TIP3 8585 83.147 6.067 56.817 1.00 0.00 WT7 H ATOM 55690 OH2 TIP3 8600 64.698 6.718 65.226 1.00 0.00 WT7 O ATOM 55691 H1 TIP3 8600 64.576 5.869 64.801 1.00 0.00 WT7 H ATOM 55692 H2 TIP3 8600 63.846 6.917 65.615 1.00 0.00 WT7 H ATOM 55693 OH2 TIP3 8626 64.284 3.872 31.192 1.00 0.00 WT7 O ATOM 55694 H1 TIP3 8626 64.608 4.743 30.965 1.00 0.00 WT7 H ATOM 55695 H2 TIP3 8626 64.709 3.286 30.565 1.00 0.00 WT7 H ATOM 55696 OH2 TIP3 8645 22.017 69.973 36.241 1.00 0.00 WT7 O ATOM 55697 H1 TIP3 8645 21.658 70.842 36.061 1.00 0.00 WT7 H ATOM 55698 H2 TIP3 8645 22.546 69.768 35.470 1.00 0.00 WT7 H ATOM 55699 OH2 TIP3 8813 31.418 30.265 61.042 1.00 0.00 WT7 O ATOM 55700 H1 TIP3 8813 31.339 29.356 60.752 1.00 0.00 WT7 H ATOM 55701 H2 TIP3 8813 31.642 30.751 60.249 1.00 0.00 WT7 H ATOM 55702 OH2 TIP3 8822 53.875 79.581 58.606 1.00 0.00 WT7 O ATOM 55703 H1 TIP3 8822 54.038 80.414 59.050 1.00 0.00 WT7 H ATOM 55704 H2 TIP3 8822 53.354 79.075 59.231 1.00 0.00 WT7 H ATOM 55705 OH2 TIP3 8824 86.534 85.189 53.406 1.00 0.00 WT7 O ATOM 55706 H1 TIP3 8824 85.971 85.945 53.572 1.00 0.00 WT7 H ATOM 55707 H2 TIP3 8824 87.412 85.485 53.648 1.00 0.00 WT7 H ATOM 55708 OH2 TIP3 8829 21.882 5.788 45.644 1.00 0.00 WT7 O ATOM 55709 H1 TIP3 8829 21.857 5.478 46.549 1.00 0.00 WT7 H ATOM 55710 H2 TIP3 8829 22.287 5.071 45.156 1.00 0.00 WT7 H ATOM 55711 OH2 TIP3 8833 34.129 44.265 53.976 1.00 0.00 WT7 O ATOM 55712 H1 TIP3 8833 34.169 43.935 53.078 1.00 0.00 WT7 H ATOM 55713 H2 TIP3 8833 33.692 45.113 53.901 1.00 0.00 WT7 H ATOM 55714 OH2 TIP3 8838 68.490 7.045 45.420 1.00 0.00 WT7 O ATOM 55715 H1 TIP3 8838 69.261 6.907 44.871 1.00 0.00 WT7 H ATOM 55716 H2 TIP3 8838 68.790 6.850 46.308 1.00 0.00 WT7 H ATOM 55717 OH2 TIP3 8845 46.400 66.528 -0.047 1.00 0.00 WT7 O ATOM 55718 H1 TIP3 8845 46.862 66.689 0.776 1.00 0.00 WT7 H ATOM 55719 H2 TIP3 8845 46.691 65.658 -0.320 1.00 0.00 WT7 H ATOM 55720 OH2 TIP3 8855 35.439 18.579 53.025 1.00 0.00 WT7 O ATOM 55721 H1 TIP3 8855 36.150 18.827 53.616 1.00 0.00 WT7 H ATOM 55722 H2 TIP3 8855 35.879 18.194 52.267 1.00 0.00 WT7 H ATOM 55723 OH2 TIP3 8864 84.498 55.940 40.540 1.00 0.00 WT7 O ATOM 55724 H1 TIP3 8864 84.801 56.817 40.775 1.00 0.00 WT7 H ATOM 55725 H2 TIP3 8864 83.549 56.027 40.459 1.00 0.00 WT7 H ATOM 55726 OH2 TIP3 8870 61.624 4.332 18.045 1.00 0.00 WT7 O ATOM 55727 H1 TIP3 8870 62.058 4.645 17.252 1.00 0.00 WT7 H ATOM 55728 H2 TIP3 8870 62.096 3.533 18.279 1.00 0.00 WT7 H ATOM 55729 OH2 TIP3 8879 41.712 22.298 52.829 1.00 0.00 WT7 O ATOM 55730 H1 TIP3 8879 41.043 22.939 52.588 1.00 0.00 WT7 H ATOM 55731 H2 TIP3 8879 42.499 22.820 52.986 1.00 0.00 WT7 H ATOM 55732 OH2 TIP3 8892 25.575 3.243 -19.623 1.00 0.00 WT7 O ATOM 55733 H1 TIP3 8892 25.585 3.981 -19.014 1.00 0.00 WT7 H ATOM 55734 H2 TIP3 8892 26.457 3.226 -19.994 1.00 0.00 WT7 H ATOM 55735 OH2 TIP3 8893 82.733 45.923 54.821 1.00 0.00 WT7 O ATOM 55736 H1 TIP3 8893 81.861 46.087 54.461 1.00 0.00 WT7 H ATOM 55737 H2 TIP3 8893 83.031 46.779 55.128 1.00 0.00 WT7 H ATOM 55738 OH2 TIP3 8894 52.725 12.525 13.387 1.00 0.00 WT7 O ATOM 55739 H1 TIP3 8894 53.424 13.168 13.507 1.00 0.00 WT7 H ATOM 55740 H2 TIP3 8894 53.181 11.689 13.295 1.00 0.00 WT7 H ATOM 55741 OH2 TIP3 8904 62.495 92.696 5.586 1.00 0.00 WT7 O ATOM 55742 H1 TIP3 8904 63.285 92.228 5.317 1.00 0.00 WT7 H ATOM 55743 H2 TIP3 8904 62.815 93.409 6.139 1.00 0.00 WT7 H ATOM 55744 OH2 TIP3 8920 73.071 43.473 37.522 1.00 0.00 WT7 O ATOM 55745 H1 TIP3 8920 73.458 43.923 38.273 1.00 0.00 WT7 H ATOM 55746 H2 TIP3 8920 72.135 43.663 37.584 1.00 0.00 WT7 H ATOM 55747 OH2 TIP3 8927 51.949 27.837 -17.646 1.00 0.00 WT7 O ATOM 55748 H1 TIP3 8927 52.577 27.952 -16.934 1.00 0.00 WT7 H ATOM 55749 H2 TIP3 8927 51.394 28.616 -17.605 1.00 0.00 WT7 H ATOM 55750 OH2 TIP3 8935 72.121 17.994 9.541 1.00 0.00 WT7 O ATOM 55751 H1 TIP3 8935 72.056 18.568 10.305 1.00 0.00 WT7 H ATOM 55752 H2 TIP3 8935 71.734 18.501 8.827 1.00 0.00 WT7 H ATOM 55753 OH2 TIP3 8937 54.829 71.815 29.955 1.00 0.00 WT7 O ATOM 55754 H1 TIP3 8937 54.384 71.586 29.139 1.00 0.00 WT7 H ATOM 55755 H2 TIP3 8937 54.192 71.615 30.641 1.00 0.00 WT7 H ATOM 55756 OH2 TIP3 8938 43.395 72.741 4.125 1.00 0.00 WT7 O ATOM 55757 H1 TIP3 8938 43.872 72.032 4.555 1.00 0.00 WT7 H ATOM 55758 H2 TIP3 8938 42.768 72.298 3.553 1.00 0.00 WT7 H ATOM 55759 OH2 TIP3 8939 25.948 10.992 -3.278 1.00 0.00 WT7 O ATOM 55760 H1 TIP3 8939 26.568 11.673 -3.018 1.00 0.00 WT7 H ATOM 55761 H2 TIP3 8939 25.149 11.469 -3.504 1.00 0.00 WT7 H ATOM 55762 OH2 TIP3 8942 21.678 93.618 20.113 1.00 0.00 WT7 O ATOM 55763 H1 TIP3 8942 21.362 93.248 20.937 1.00 0.00 WT7 H ATOM 55764 H2 TIP3 8942 21.402 94.534 20.139 1.00 0.00 WT7 H ATOM 55765 OH2 TIP3 8956 47.727 26.243 -17.252 1.00 0.00 WT7 O ATOM 55766 H1 TIP3 8956 48.588 26.342 -16.845 1.00 0.00 WT7 H ATOM 55767 H2 TIP3 8956 47.559 25.301 -17.231 1.00 0.00 WT7 H ATOM 55768 OH2 TIP3 8960 85.816 78.020 23.384 1.00 0.00 WT7 O ATOM 55769 H1 TIP3 8960 85.622 78.953 23.474 1.00 0.00 WT7 H ATOM 55770 H2 TIP3 8960 85.476 77.626 24.187 1.00 0.00 WT7 H ATOM 55771 OH2 TIP3 8972 81.061 43.051 66.074 1.00 0.00 WT7 O ATOM 55772 H1 TIP3 8972 80.416 42.382 66.304 1.00 0.00 WT7 H ATOM 55773 H2 TIP3 8972 81.810 42.557 65.740 1.00 0.00 WT7 H ATOM 55774 OH2 TIP3 8973 25.824 61.586 -19.221 1.00 0.00 WT7 O ATOM 55775 H1 TIP3 8973 25.476 61.222 -18.407 1.00 0.00 WT7 H ATOM 55776 H2 TIP3 8973 25.694 60.893 -19.869 1.00 0.00 WT7 H ATOM 55777 OH2 TIP3 8977 22.018 38.982 -6.586 1.00 0.00 WT7 O ATOM 55778 H1 TIP3 8977 21.841 38.195 -6.072 1.00 0.00 WT7 H ATOM 55779 H2 TIP3 8977 22.477 38.664 -7.364 1.00 0.00 WT7 H ATOM 55780 OH2 TIP3 8982 79.386 95.385 -12.348 1.00 0.00 WT7 O ATOM 55781 H1 TIP3 8982 79.561 94.493 -12.049 1.00 0.00 WT7 H ATOM 55782 H2 TIP3 8982 79.414 95.328 -13.303 1.00 0.00 WT7 H ATOM 55783 OH2 TIP3 8984 39.338 73.054 19.487 1.00 0.00 WT7 O ATOM 55784 H1 TIP3 8984 38.787 72.318 19.752 1.00 0.00 WT7 H ATOM 55785 H2 TIP3 8984 39.784 72.748 18.697 1.00 0.00 WT7 H ATOM 55786 OH2 TIP3 8988 67.971 90.368 54.040 1.00 0.00 WT7 O ATOM 55787 H1 TIP3 8988 68.481 90.581 54.821 1.00 0.00 WT7 H ATOM 55788 H2 TIP3 8988 67.823 89.424 54.100 1.00 0.00 WT7 H ATOM 55789 OH2 TIP3 9017 72.561 19.054 6.469 1.00 0.00 WT7 O ATOM 55790 H1 TIP3 9017 71.805 19.461 6.892 1.00 0.00 WT7 H ATOM 55791 H2 TIP3 9017 72.973 19.764 5.977 1.00 0.00 WT7 H ATOM 55792 OH2 TIP3 9022 72.851 21.822 2.962 1.00 0.00 WT7 O ATOM 55793 H1 TIP3 9022 72.017 22.229 3.197 1.00 0.00 WT7 H ATOM 55794 H2 TIP3 9022 73.372 22.537 2.597 1.00 0.00 WT7 H ATOM 55795 OH2 TIP3 9047 77.715 83.776 -10.654 1.00 0.00 WT7 O ATOM 55796 H1 TIP3 9047 77.299 84.582 -10.959 1.00 0.00 WT7 H ATOM 55797 H2 TIP3 9047 77.224 83.075 -11.081 1.00 0.00 WT7 H ATOM 55798 OH2 TIP3 9055 23.867 63.654 -17.377 1.00 0.00 WT7 O ATOM 55799 H1 TIP3 9055 23.036 63.809 -17.826 1.00 0.00 WT7 H ATOM 55800 H2 TIP3 9055 24.515 63.609 -18.081 1.00 0.00 WT7 H ATOM 55801 OH2 TIP3 9063 51.540 62.265 56.570 1.00 0.00 WT7 O ATOM 55802 H1 TIP3 9063 51.281 61.433 56.172 1.00 0.00 WT7 H ATOM 55803 H2 TIP3 9063 52.158 62.647 55.948 1.00 0.00 WT7 H ATOM 55804 OH2 TIP3 9068 90.131 37.227 -16.829 1.00 0.00 WT7 O ATOM 55805 H1 TIP3 9068 90.194 37.634 -17.694 1.00 0.00 WT7 H ATOM 55806 H2 TIP3 9068 89.515 37.780 -16.348 1.00 0.00 WT7 H ATOM 55807 OH2 TIP3 9096 66.929 40.558 -15.551 1.00 0.00 WT7 O ATOM 55808 H1 TIP3 9096 66.097 40.470 -16.017 1.00 0.00 WT7 H ATOM 55809 H2 TIP3 9096 67.068 39.703 -15.144 1.00 0.00 WT7 H ATOM 55810 OH2 TIP3 9178 43.964 78.967 56.491 1.00 0.00 WT7 O ATOM 55811 H1 TIP3 9178 43.088 78.899 56.110 1.00 0.00 WT7 H ATOM 55812 H2 TIP3 9178 44.391 78.142 56.259 1.00 0.00 WT7 H ATOM 55813 OH2 TIP3 9250 26.008 7.722 1.642 1.00 0.00 WT7 O ATOM 55814 H1 TIP3 9250 26.197 7.099 0.941 1.00 0.00 WT7 H ATOM 55815 H2 TIP3 9250 26.860 7.901 2.041 1.00 0.00 WT7 H ATOM 55816 OH2 TIP3 5 73.304 58.027 23.021 1.00 0.00 WT8 O ATOM 55817 H1 TIP3 5 72.689 58.206 22.309 1.00 0.00 WT8 H ATOM 55818 H2 TIP3 5 72.748 57.788 23.763 1.00 0.00 WT8 H ATOM 55819 OH2 TIP3 44 52.512 84.197 66.827 1.00 0.00 WT8 O ATOM 55820 H1 TIP3 44 52.661 83.599 67.559 1.00 0.00 WT8 H ATOM 55821 H2 TIP3 44 51.842 84.802 67.145 1.00 0.00 WT8 H ATOM 55822 OH2 TIP3 48 47.108 90.263 43.432 1.00 0.00 WT8 O ATOM 55823 H1 TIP3 48 46.259 89.824 43.380 1.00 0.00 WT8 H ATOM 55824 H2 TIP3 48 47.281 90.557 42.537 1.00 0.00 WT8 H ATOM 55825 OH2 TIP3 67 74.729 23.608 2.266 1.00 0.00 WT8 O ATOM 55826 H1 TIP3 67 75.611 23.334 2.017 1.00 0.00 WT8 H ATOM 55827 H2 TIP3 67 74.861 24.203 3.003 1.00 0.00 WT8 H ATOM 55828 OH2 TIP3 87 39.501 86.420 51.136 1.00 0.00 WT8 O ATOM 55829 H1 TIP3 87 38.615 86.060 51.096 1.00 0.00 WT8 H ATOM 55830 H2 TIP3 87 39.914 85.961 51.867 1.00 0.00 WT8 H ATOM 55831 OH2 TIP3 113 51.594 20.336 66.036 1.00 0.00 WT8 O ATOM 55832 H1 TIP3 113 51.600 20.226 65.086 1.00 0.00 WT8 H ATOM 55833 H2 TIP3 113 50.940 21.017 66.195 1.00 0.00 WT8 H ATOM 55834 OH2 TIP3 149 65.152 93.315 12.241 1.00 0.00 WT8 O ATOM 55835 H1 TIP3 149 65.326 93.309 13.183 1.00 0.00 WT8 H ATOM 55836 H2 TIP3 149 65.101 92.390 12.001 1.00 0.00 WT8 H ATOM 55837 OH2 TIP3 150 21.088 43.739 55.427 1.00 0.00 WT8 O ATOM 55838 H1 TIP3 150 21.762 43.695 56.105 1.00 0.00 WT8 H ATOM 55839 H2 TIP3 150 20.443 44.358 55.770 1.00 0.00 WT8 H ATOM 55840 OH2 TIP3 167 63.082 60.135 29.864 1.00 0.00 WT8 O ATOM 55841 H1 TIP3 167 62.150 60.215 29.660 1.00 0.00 WT8 H ATOM 55842 H2 TIP3 167 63.376 59.383 29.350 1.00 0.00 WT8 H ATOM 55843 OH2 TIP3 175 70.533 69.085 39.214 1.00 0.00 WT8 O ATOM 55844 H1 TIP3 175 70.482 68.210 38.829 1.00 0.00 WT8 H ATOM 55845 H2 TIP3 175 71.381 69.423 38.926 1.00 0.00 WT8 H ATOM 55846 OH2 TIP3 237 72.750 35.028 3.787 1.00 0.00 WT8 O ATOM 55847 H1 TIP3 237 72.438 35.135 4.686 1.00 0.00 WT8 H ATOM 55848 H2 TIP3 237 73.694 34.893 3.875 1.00 0.00 WT8 H ATOM 55849 OH2 TIP3 449 85.932 83.176 40.957 1.00 0.00 WT8 O ATOM 55850 H1 TIP3 449 85.047 82.825 40.856 1.00 0.00 WT8 H ATOM 55851 H2 TIP3 449 86.297 83.164 40.072 1.00 0.00 WT8 H ATOM 55852 OH2 TIP3 485 27.520 11.092 30.406 1.00 0.00 WT8 O ATOM 55853 H1 TIP3 485 28.042 11.753 30.860 1.00 0.00 WT8 H ATOM 55854 H2 TIP3 485 27.391 11.451 29.528 1.00 0.00 WT8 H ATOM 55855 OH2 TIP3 486 35.090 81.544 60.041 1.00 0.00 WT8 O ATOM 55856 H1 TIP3 486 35.162 81.011 60.834 1.00 0.00 WT8 H ATOM 55857 H2 TIP3 486 34.664 80.969 59.405 1.00 0.00 WT8 H ATOM 55858 OH2 TIP3 489 32.464 66.862 14.545 1.00 0.00 WT8 O ATOM 55859 H1 TIP3 489 32.822 67.151 15.385 1.00 0.00 WT8 H ATOM 55860 H2 TIP3 489 33.233 66.713 13.995 1.00 0.00 WT8 H ATOM 55861 OH2 TIP3 503 42.124 23.987 3.933 1.00 0.00 WT8 O ATOM 55862 H1 TIP3 503 41.310 23.961 4.436 1.00 0.00 WT8 H ATOM 55863 H2 TIP3 503 42.568 24.779 4.235 1.00 0.00 WT8 H ATOM 55864 OH2 TIP3 506 23.535 67.884 4.215 1.00 0.00 WT8 O ATOM 55865 H1 TIP3 506 24.132 67.784 4.956 1.00 0.00 WT8 H ATOM 55866 H2 TIP3 506 22.721 68.204 4.605 1.00 0.00 WT8 H ATOM 55867 OH2 TIP3 509 63.378 41.005 -18.518 1.00 0.00 WT8 O ATOM 55868 H1 TIP3 509 64.034 41.323 -19.138 1.00 0.00 WT8 H ATOM 55869 H2 TIP3 509 62.940 41.796 -18.205 1.00 0.00 WT8 H ATOM 55870 OH2 TIP3 511 39.039 70.811 -5.409 1.00 0.00 WT8 O ATOM 55871 H1 TIP3 511 38.706 71.176 -4.590 1.00 0.00 WT8 H ATOM 55872 H2 TIP3 511 38.991 69.863 -5.286 1.00 0.00 WT8 H ATOM 55873 OH2 TIP3 548 62.965 51.770 41.296 1.00 0.00 WT8 O ATOM 55874 H1 TIP3 548 62.754 52.265 40.504 1.00 0.00 WT8 H ATOM 55875 H2 TIP3 548 62.781 52.376 42.014 1.00 0.00 WT8 H ATOM 55876 OH2 TIP3 550 89.767 94.206 31.660 1.00 0.00 WT8 O ATOM 55877 H1 TIP3 550 90.036 93.795 32.482 1.00 0.00 WT8 H ATOM 55878 H2 TIP3 550 90.381 93.866 31.010 1.00 0.00 WT8 H ATOM 55879 OH2 TIP3 551 58.391 76.752 67.437 1.00 0.00 WT8 O ATOM 55880 H1 TIP3 551 58.718 76.728 66.538 1.00 0.00 WT8 H ATOM 55881 H2 TIP3 551 58.302 75.831 67.684 1.00 0.00 WT8 H ATOM 55882 OH2 TIP3 562 75.698 65.066 -12.668 1.00 0.00 WT8 O ATOM 55883 H1 TIP3 562 76.159 64.709 -11.909 1.00 0.00 WT8 H ATOM 55884 H2 TIP3 562 74.888 65.428 -12.307 1.00 0.00 WT8 H ATOM 55885 OH2 TIP3 573 41.692 95.725 -8.159 1.00 0.00 WT8 O ATOM 55886 H1 TIP3 573 41.651 96.574 -7.719 1.00 0.00 WT8 H ATOM 55887 H2 TIP3 573 42.246 95.878 -8.925 1.00 0.00 WT8 H ATOM 55888 OH2 TIP3 575 72.380 7.045 53.602 1.00 0.00 WT8 O ATOM 55889 H1 TIP3 575 71.431 6.920 53.598 1.00 0.00 WT8 H ATOM 55890 H2 TIP3 575 72.738 6.166 53.478 1.00 0.00 WT8 H ATOM 55891 OH2 TIP3 584 41.502 95.266 24.882 1.00 0.00 WT8 O ATOM 55892 H1 TIP3 584 41.492 95.181 23.928 1.00 0.00 WT8 H ATOM 55893 H2 TIP3 584 42.429 95.214 25.117 1.00 0.00 WT8 H ATOM 55894 OH2 TIP3 591 69.023 60.322 56.460 1.00 0.00 WT8 O ATOM 55895 H1 TIP3 591 68.152 59.941 56.571 1.00 0.00 WT8 H ATOM 55896 H2 TIP3 591 69.136 60.890 57.222 1.00 0.00 WT8 H ATOM 55897 OH2 TIP3 593 70.791 28.942 34.430 1.00 0.00 WT8 O ATOM 55898 H1 TIP3 593 70.828 29.894 34.341 1.00 0.00 WT8 H ATOM 55899 H2 TIP3 593 70.168 28.662 33.759 1.00 0.00 WT8 H ATOM 55900 OH2 TIP3 594 30.455 19.989 -7.009 1.00 0.00 WT8 O ATOM 55901 H1 TIP3 594 30.002 19.616 -6.253 1.00 0.00 WT8 H ATOM 55902 H2 TIP3 594 30.523 20.923 -6.812 1.00 0.00 WT8 H ATOM 55903 OH2 TIP3 822 76.114 62.812 53.859 1.00 0.00 WT8 O ATOM 55904 H1 TIP3 822 76.267 61.885 54.044 1.00 0.00 WT8 H ATOM 55905 H2 TIP3 822 75.284 62.829 53.384 1.00 0.00 WT8 H ATOM 55906 OH2 TIP3 892 29.613 53.284 35.733 1.00 0.00 WT8 O ATOM 55907 H1 TIP3 892 29.805 54.218 35.648 1.00 0.00 WT8 H ATOM 55908 H2 TIP3 892 29.590 53.129 36.677 1.00 0.00 WT8 H ATOM 55909 OH2 TIP3 908 46.593 50.635 5.001 1.00 0.00 WT8 O ATOM 55910 H1 TIP3 908 47.466 50.834 5.340 1.00 0.00 WT8 H ATOM 55911 H2 TIP3 908 46.073 51.412 5.204 1.00 0.00 WT8 H ATOM 55912 OH2 TIP3 928 73.365 85.552 23.948 1.00 0.00 WT8 O ATOM 55913 H1 TIP3 928 72.629 85.003 23.676 1.00 0.00 WT8 H ATOM 55914 H2 TIP3 928 74.137 85.001 23.816 1.00 0.00 WT8 H ATOM 55915 OH2 TIP3 930 32.701 50.048 50.680 1.00 0.00 WT8 O ATOM 55916 H1 TIP3 930 32.590 50.729 50.017 1.00 0.00 WT8 H ATOM 55917 H2 TIP3 930 31.996 49.425 50.503 1.00 0.00 WT8 H ATOM 55918 OH2 TIP3 987 55.353 76.125 62.622 1.00 0.00 WT8 O ATOM 55919 H1 TIP3 987 55.688 76.996 62.409 1.00 0.00 WT8 H ATOM 55920 H2 TIP3 987 54.900 76.241 63.457 1.00 0.00 WT8 H ATOM 55921 OH2 TIP3 993 69.607 11.897 48.687 1.00 0.00 WT8 O ATOM 55922 H1 TIP3 993 68.983 11.959 47.964 1.00 0.00 WT8 H ATOM 55923 H2 TIP3 993 70.414 12.279 48.342 1.00 0.00 WT8 H ATOM 55924 OH2 TIP3 1013 72.087 13.391 4.686 1.00 0.00 WT8 O ATOM 55925 H1 TIP3 1013 71.985 12.555 4.233 1.00 0.00 WT8 H ATOM 55926 H2 TIP3 1013 71.698 14.035 4.094 1.00 0.00 WT8 H ATOM 55927 OH2 TIP3 1018 49.566 82.615 -12.990 1.00 0.00 WT8 O ATOM 55928 H1 TIP3 1018 48.972 83.342 -12.801 1.00 0.00 WT8 H ATOM 55929 H2 TIP3 1018 50.053 82.485 -12.176 1.00 0.00 WT8 H ATOM 55930 OH2 TIP3 1076 27.677 4.143 58.219 1.00 0.00 WT8 O ATOM 55931 H1 TIP3 1076 28.308 4.842 58.391 1.00 0.00 WT8 H ATOM 55932 H2 TIP3 1076 27.419 3.834 59.087 1.00 0.00 WT8 H ATOM 55933 OH2 TIP3 1098 55.940 10.284 55.553 1.00 0.00 WT8 O ATOM 55934 H1 TIP3 1098 56.126 10.148 54.624 1.00 0.00 WT8 H ATOM 55935 H2 TIP3 1098 55.889 9.401 55.919 1.00 0.00 WT8 H ATOM 55936 OH2 TIP3 1122 59.560 85.298 52.488 1.00 0.00 WT8 O ATOM 55937 H1 TIP3 1122 59.491 86.107 52.996 1.00 0.00 WT8 H ATOM 55938 H2 TIP3 1122 59.544 84.601 53.143 1.00 0.00 WT8 H ATOM 55939 OH2 TIP3 1138 57.352 90.388 26.190 1.00 0.00 WT8 O ATOM 55940 H1 TIP3 1138 57.735 89.523 26.043 1.00 0.00 WT8 H ATOM 55941 H2 TIP3 1138 57.300 90.778 25.317 1.00 0.00 WT8 H ATOM 55942 OH2 TIP3 1301 87.694 73.548 32.211 1.00 0.00 WT8 O ATOM 55943 H1 TIP3 1301 88.108 73.556 31.348 1.00 0.00 WT8 H ATOM 55944 H2 TIP3 1301 87.050 74.256 32.174 1.00 0.00 WT8 H ATOM 55945 OH2 TIP3 1354 63.547 56.988 65.023 1.00 0.00 WT8 O ATOM 55946 H1 TIP3 1354 63.880 56.611 64.208 1.00 0.00 WT8 H ATOM 55947 H2 TIP3 1354 63.036 57.748 64.745 1.00 0.00 WT8 H ATOM 55948 OH2 TIP3 1370 79.772 37.039 52.070 1.00 0.00 WT8 O ATOM 55949 H1 TIP3 1370 80.413 36.343 51.922 1.00 0.00 WT8 H ATOM 55950 H2 TIP3 1370 79.107 36.638 52.629 1.00 0.00 WT8 H ATOM 55951 OH2 TIP3 1387 81.143 73.486 26.221 1.00 0.00 WT8 O ATOM 55952 H1 TIP3 1387 81.275 72.538 26.214 1.00 0.00 WT8 H ATOM 55953 H2 TIP3 1387 80.797 73.674 27.094 1.00 0.00 WT8 H ATOM 55954 OH2 TIP3 1408 65.853 24.158 -18.698 1.00 0.00 WT8 O ATOM 55955 H1 TIP3 1408 65.177 24.522 -19.269 1.00 0.00 WT8 H ATOM 55956 H2 TIP3 1408 65.973 24.820 -18.016 1.00 0.00 WT8 H ATOM 55957 OH2 TIP3 1414 37.282 93.690 64.354 1.00 0.00 WT8 O ATOM 55958 H1 TIP3 1414 38.065 93.648 64.904 1.00 0.00 WT8 H ATOM 55959 H2 TIP3 1414 36.784 94.429 64.704 1.00 0.00 WT8 H ATOM 55960 OH2 TIP3 1429 76.730 56.394 43.803 1.00 0.00 WT8 O ATOM 55961 H1 TIP3 1429 75.854 56.587 43.470 1.00 0.00 WT8 H ATOM 55962 H2 TIP3 1429 76.826 56.960 44.569 1.00 0.00 WT8 H ATOM 55963 OH2 TIP3 1433 21.392 10.972 52.270 1.00 0.00 WT8 O ATOM 55964 H1 TIP3 1433 20.445 10.850 52.329 1.00 0.00 WT8 H ATOM 55965 H2 TIP3 1433 21.498 11.819 51.836 1.00 0.00 WT8 H ATOM 55966 OH2 TIP3 1440 44.372 50.654 58.315 1.00 0.00 WT8 O ATOM 55967 H1 TIP3 1440 43.522 50.750 58.744 1.00 0.00 WT8 H ATOM 55968 H2 TIP3 1440 44.627 51.548 58.086 1.00 0.00 WT8 H ATOM 55969 OH2 TIP3 1451 34.492 24.067 12.595 1.00 0.00 WT8 O ATOM 55970 H1 TIP3 1451 34.976 24.636 11.997 1.00 0.00 WT8 H ATOM 55971 H2 TIP3 1451 34.761 23.181 12.354 1.00 0.00 WT8 H ATOM 55972 OH2 TIP3 1480 72.704 35.266 11.946 1.00 0.00 WT8 O ATOM 55973 H1 TIP3 1480 72.362 36.106 12.252 1.00 0.00 WT8 H ATOM 55974 H2 TIP3 1480 72.143 34.612 12.363 1.00 0.00 WT8 H ATOM 55975 OH2 TIP3 1573 64.525 69.583 35.754 1.00 0.00 WT8 O ATOM 55976 H1 TIP3 1573 64.077 69.353 34.940 1.00 0.00 WT8 H ATOM 55977 H2 TIP3 1573 63.838 69.559 36.421 1.00 0.00 WT8 H ATOM 55978 OH2 TIP3 1618 60.266 95.490 65.049 1.00 0.00 WT8 O ATOM 55979 H1 TIP3 1618 59.459 95.081 65.363 1.00 0.00 WT8 H ATOM 55980 H2 TIP3 1618 60.534 94.950 64.305 1.00 0.00 WT8 H ATOM 55981 OH2 TIP3 1725 50.640 25.359 55.845 1.00 0.00 WT8 O ATOM 55982 H1 TIP3 1725 49.817 25.095 55.433 1.00 0.00 WT8 H ATOM 55983 H2 TIP3 1725 50.564 25.053 56.749 1.00 0.00 WT8 H ATOM 55984 OH2 TIP3 1733 45.566 67.363 -19.589 1.00 0.00 WT8 O ATOM 55985 H1 TIP3 1733 45.885 67.846 -20.351 1.00 0.00 WT8 H ATOM 55986 H2 TIP3 1733 46.054 67.729 -18.851 1.00 0.00 WT8 H ATOM 55987 OH2 TIP3 1771 35.042 49.724 51.642 1.00 0.00 WT8 O ATOM 55988 H1 TIP3 1771 35.084 49.951 52.571 1.00 0.00 WT8 H ATOM 55989 H2 TIP3 1771 34.112 49.784 51.423 1.00 0.00 WT8 H ATOM 55990 OH2 TIP3 1849 28.154 76.466 50.541 1.00 0.00 WT8 O ATOM 55991 H1 TIP3 1849 27.701 75.623 50.514 1.00 0.00 WT8 H ATOM 55992 H2 TIP3 1849 28.062 76.759 51.448 1.00 0.00 WT8 H ATOM 55993 OH2 TIP3 1853 36.033 62.874 62.275 1.00 0.00 WT8 O ATOM 55994 H1 TIP3 1853 36.283 63.298 63.096 1.00 0.00 WT8 H ATOM 55995 H2 TIP3 1853 36.462 63.395 61.596 1.00 0.00 WT8 H ATOM 55996 OH2 TIP3 1897 20.209 58.642 -11.104 1.00 0.00 WT8 O ATOM 55997 H1 TIP3 1897 21.042 58.461 -11.539 1.00 0.00 WT8 H ATOM 55998 H2 TIP3 1897 20.350 59.473 -10.651 1.00 0.00 WT8 H ATOM 55999 OH2 TIP3 2231 46.133 37.285 12.582 1.00 0.00 WT8 O ATOM 56000 H1 TIP3 2231 45.703 36.431 12.628 1.00 0.00 WT8 H ATOM 56001 H2 TIP3 2231 45.665 37.824 13.220 1.00 0.00 WT8 H ATOM 56002 OH2 TIP3 2270 31.617 37.688 52.172 1.00 0.00 WT8 O ATOM 56003 H1 TIP3 2270 31.559 37.140 51.389 1.00 0.00 WT8 H ATOM 56004 H2 TIP3 2270 32.447 38.155 52.077 1.00 0.00 WT8 H ATOM 56005 OH2 TIP3 2288 51.315 75.833 -10.577 1.00 0.00 WT8 O ATOM 56006 H1 TIP3 2288 51.049 75.424 -9.753 1.00 0.00 WT8 H ATOM 56007 H2 TIP3 2288 50.717 75.469 -11.229 1.00 0.00 WT8 H ATOM 56008 OH2 TIP3 2293 40.780 91.520 -15.702 1.00 0.00 WT8 O ATOM 56009 H1 TIP3 2293 40.529 91.828 -16.573 1.00 0.00 WT8 H ATOM 56010 H2 TIP3 2293 40.950 90.586 -15.818 1.00 0.00 WT8 H ATOM 56011 OH2 TIP3 2317 78.399 51.996 -4.832 1.00 0.00 WT8 O ATOM 56012 H1 TIP3 2317 77.693 51.611 -4.314 1.00 0.00 WT8 H ATOM 56013 H2 TIP3 2317 78.800 52.642 -4.250 1.00 0.00 WT8 H ATOM 56014 OH2 TIP3 2357 49.980 70.443 59.388 1.00 0.00 WT8 O ATOM 56015 H1 TIP3 2357 49.275 71.000 59.057 1.00 0.00 WT8 H ATOM 56016 H2 TIP3 2357 50.779 70.829 59.029 1.00 0.00 WT8 H ATOM 56017 OH2 TIP3 2358 68.306 69.057 -18.063 1.00 0.00 WT8 O ATOM 56018 H1 TIP3 2358 68.564 69.947 -17.820 1.00 0.00 WT8 H ATOM 56019 H2 TIP3 2358 68.809 68.869 -18.856 1.00 0.00 WT8 H ATOM 56020 OH2 TIP3 2714 35.258 27.186 50.966 1.00 0.00 WT8 O ATOM 56021 H1 TIP3 2714 34.973 27.742 51.691 1.00 0.00 WT8 H ATOM 56022 H2 TIP3 2714 35.436 26.337 51.369 1.00 0.00 WT8 H ATOM 56023 OH2 TIP3 5421 36.317 63.600 -5.963 1.00 0.00 WT8 O ATOM 56024 H1 TIP3 5421 36.380 64.539 -5.786 1.00 0.00 WT8 H ATOM 56025 H2 TIP3 5421 35.534 63.319 -5.489 1.00 0.00 WT8 H ATOM 56026 OH2 TIP3 6240 82.502 60.178 -16.602 1.00 0.00 WT8 O ATOM 56027 H1 TIP3 6240 81.771 59.954 -16.026 1.00 0.00 WT8 H ATOM 56028 H2 TIP3 6240 82.613 59.407 -17.159 1.00 0.00 WT8 H ATOM 56029 OH2 TIP3 6350 53.260 80.473 31.292 1.00 0.00 WT8 O ATOM 56030 H1 TIP3 6350 52.733 81.137 31.737 1.00 0.00 WT8 H ATOM 56031 H2 TIP3 6350 52.664 80.084 30.652 1.00 0.00 WT8 H ATOM 56032 OH2 TIP3 6671 87.617 72.366 47.888 1.00 0.00 WT8 O ATOM 56033 H1 TIP3 6671 87.692 71.436 48.103 1.00 0.00 WT8 H ATOM 56034 H2 TIP3 6671 86.680 72.552 47.949 1.00 0.00 WT8 H ATOM 56035 OH2 TIP3 7563 87.476 17.358 41.566 1.00 0.00 WT8 O ATOM 56036 H1 TIP3 7563 86.891 16.600 41.533 1.00 0.00 WT8 H ATOM 56037 H2 TIP3 7563 88.000 17.222 42.355 1.00 0.00 WT8 H ATOM 56038 OH2 TIP3 7583 37.696 35.253 29.301 1.00 0.00 WT8 O ATOM 56039 H1 TIP3 7583 38.546 35.426 29.705 1.00 0.00 WT8 H ATOM 56040 H2 TIP3 7583 37.810 35.507 28.385 1.00 0.00 WT8 H ATOM 56041 OH2 TIP3 7607 23.159 39.992 30.238 1.00 0.00 WT8 O ATOM 56042 H1 TIP3 7607 22.314 39.548 30.304 1.00 0.00 WT8 H ATOM 56043 H2 TIP3 7607 22.953 40.919 30.353 1.00 0.00 WT8 H ATOM 56044 OH2 TIP3 7630 22.351 59.896 22.399 1.00 0.00 WT8 O ATOM 56045 H1 TIP3 7630 21.574 59.465 22.755 1.00 0.00 WT8 H ATOM 56046 H2 TIP3 7630 22.902 60.067 23.162 1.00 0.00 WT8 H ATOM 56047 OH2 TIP3 7631 76.192 43.257 -15.781 1.00 0.00 WT8 O ATOM 56048 H1 TIP3 7631 75.728 43.969 -15.340 1.00 0.00 WT8 H ATOM 56049 H2 TIP3 7631 76.485 43.637 -16.609 1.00 0.00 WT8 H ATOM 56050 OH2 TIP3 7647 72.875 0.305 40.724 1.00 0.00 WT8 O ATOM 56051 H1 TIP3 7647 71.954 0.176 40.948 1.00 0.00 WT8 H ATOM 56052 H2 TIP3 7647 73.219 0.854 41.428 1.00 0.00 WT8 H ATOM 56053 OH2 TIP3 7650 57.184 14.733 -6.260 1.00 0.00 WT8 O ATOM 56054 H1 TIP3 7650 57.559 13.853 -6.270 1.00 0.00 WT8 H ATOM 56055 H2 TIP3 7650 56.452 14.675 -5.646 1.00 0.00 WT8 H ATOM 56056 OH2 TIP3 7707 82.740 60.754 22.099 1.00 0.00 WT8 O ATOM 56057 H1 TIP3 7707 82.109 60.173 22.523 1.00 0.00 WT8 H ATOM 56058 H2 TIP3 7707 82.400 61.635 22.258 1.00 0.00 WT8 H ATOM 56059 OH2 TIP3 7961 34.265 59.584 37.429 1.00 0.00 WT8 O ATOM 56060 H1 TIP3 7961 34.852 60.295 37.689 1.00 0.00 WT8 H ATOM 56061 H2 TIP3 7961 34.435 59.463 36.495 1.00 0.00 WT8 H ATOM 56062 OH2 TIP3 7985 25.222 27.276 47.656 1.00 0.00 WT8 O ATOM 56063 H1 TIP3 7985 24.806 26.928 48.445 1.00 0.00 WT8 H ATOM 56064 H2 TIP3 7985 24.613 27.941 47.337 1.00 0.00 WT8 H ATOM 56065 OH2 TIP3 8023 39.173 5.008 42.529 1.00 0.00 WT8 O ATOM 56066 H1 TIP3 8023 39.447 5.868 42.847 1.00 0.00 WT8 H ATOM 56067 H2 TIP3 8023 39.810 4.400 42.905 1.00 0.00 WT8 H ATOM 56068 OH2 TIP3 8024 25.248 63.810 20.461 1.00 0.00 WT8 O ATOM 56069 H1 TIP3 8024 25.642 64.213 21.234 1.00 0.00 WT8 H ATOM 56070 H2 TIP3 8024 24.418 63.452 20.773 1.00 0.00 WT8 H ATOM 56071 OH2 TIP3 8046 67.187 88.180 47.008 1.00 0.00 WT8 O ATOM 56072 H1 TIP3 8046 66.732 88.391 46.193 1.00 0.00 WT8 H ATOM 56073 H2 TIP3 8046 66.667 88.605 47.690 1.00 0.00 WT8 H ATOM 56074 OH2 TIP3 8064 25.519 30.583 9.788 1.00 0.00 WT8 O ATOM 56075 H1 TIP3 8064 26.219 30.239 10.344 1.00 0.00 WT8 H ATOM 56076 H2 TIP3 8064 25.359 31.466 10.123 1.00 0.00 WT8 H ATOM 56077 OH2 TIP3 8067 49.000 20.322 -10.644 1.00 0.00 WT8 O ATOM 56078 H1 TIP3 8067 48.851 19.735 -11.385 1.00 0.00 WT8 H ATOM 56079 H2 TIP3 8067 48.537 19.910 -9.915 1.00 0.00 WT8 H ATOM 56080 OH2 TIP3 8068 50.954 27.342 61.879 1.00 0.00 WT8 O ATOM 56081 H1 TIP3 8068 51.870 27.169 61.662 1.00 0.00 WT8 H ATOM 56082 H2 TIP3 8068 50.734 28.128 61.379 1.00 0.00 WT8 H ATOM 56083 OH2 TIP3 8174 81.264 50.380 56.459 1.00 0.00 WT8 O ATOM 56084 H1 TIP3 8174 80.701 50.812 55.817 1.00 0.00 WT8 H ATOM 56085 H2 TIP3 8174 80.780 49.594 56.712 1.00 0.00 WT8 H ATOM 56086 OH2 TIP3 8403 40.400 10.894 33.830 1.00 0.00 WT8 O ATOM 56087 H1 TIP3 8403 40.625 11.337 33.012 1.00 0.00 WT8 H ATOM 56088 H2 TIP3 8403 39.459 11.041 33.930 1.00 0.00 WT8 H ATOM 56089 OH2 TIP3 8411 84.313 69.218 44.571 1.00 0.00 WT8 O ATOM 56090 H1 TIP3 8411 83.953 70.104 44.599 1.00 0.00 WT8 H ATOM 56091 H2 TIP3 8411 83.898 68.814 43.809 1.00 0.00 WT8 H ATOM 56092 OH2 TIP3 8425 50.791 71.455 46.548 1.00 0.00 WT8 O ATOM 56093 H1 TIP3 8425 50.958 70.517 46.645 1.00 0.00 WT8 H ATOM 56094 H2 TIP3 8425 50.993 71.641 45.631 1.00 0.00 WT8 H ATOM 56095 OH2 TIP3 8466 69.445 6.653 -7.248 1.00 0.00 WT8 O ATOM 56096 H1 TIP3 8466 69.056 7.523 -7.340 1.00 0.00 WT8 H ATOM 56097 H2 TIP3 8466 70.361 6.771 -7.497 1.00 0.00 WT8 H ATOM 56098 OH2 TIP3 8468 21.513 96.533 44.633 1.00 0.00 WT8 O ATOM 56099 H1 TIP3 8468 21.899 97.240 44.116 1.00 0.00 WT8 H ATOM 56100 H2 TIP3 8468 22.260 96.005 44.914 1.00 0.00 WT8 H ATOM 56101 OH2 TIP3 8534 66.198 31.665 42.437 1.00 0.00 WT8 O ATOM 56102 H1 TIP3 8534 65.342 32.079 42.548 1.00 0.00 WT8 H ATOM 56103 H2 TIP3 8534 66.746 32.062 43.115 1.00 0.00 WT8 H ATOM 56104 OH2 TIP3 8536 63.016 2.579 64.493 1.00 0.00 WT8 O ATOM 56105 H1 TIP3 8536 63.731 3.210 64.414 1.00 0.00 WT8 H ATOM 56106 H2 TIP3 8536 63.444 1.724 64.450 1.00 0.00 WT8 H ATOM 56107 OH2 TIP3 8549 88.000 72.314 -4.140 1.00 0.00 WT8 O ATOM 56108 H1 TIP3 8549 87.648 71.786 -3.423 1.00 0.00 WT8 H ATOM 56109 H2 TIP3 8549 88.900 72.505 -3.878 1.00 0.00 WT8 H ATOM 56110 OH2 TIP3 8556 28.257 76.101 -13.568 1.00 0.00 WT8 O ATOM 56111 H1 TIP3 8556 28.498 76.515 -14.397 1.00 0.00 WT8 H ATOM 56112 H2 TIP3 8556 28.833 76.506 -12.920 1.00 0.00 WT8 H ATOM 56113 OH2 TIP3 8558 82.693 72.236 -5.354 1.00 0.00 WT8 O ATOM 56114 H1 TIP3 8558 83.617 72.196 -5.107 1.00 0.00 WT8 H ATOM 56115 H2 TIP3 8558 82.221 72.003 -4.554 1.00 0.00 WT8 H ATOM 56116 OH2 TIP3 8574 70.333 88.509 20.162 1.00 0.00 WT8 O ATOM 56117 H1 TIP3 8574 70.038 87.669 19.813 1.00 0.00 WT8 H ATOM 56118 H2 TIP3 8574 69.616 88.801 20.725 1.00 0.00 WT8 H ATOM 56119 OH2 TIP3 8780 27.626 78.612 37.799 1.00 0.00 WT8 O ATOM 56120 H1 TIP3 8780 26.848 78.723 37.254 1.00 0.00 WT8 H ATOM 56121 H2 TIP3 8780 27.605 77.693 38.065 1.00 0.00 WT8 H ATOM 56122 OH2 TIP3 8822 77.735 48.291 61.545 1.00 0.00 WT8 O ATOM 56123 H1 TIP3 8822 77.020 48.099 60.938 1.00 0.00 WT8 H ATOM 56124 H2 TIP3 8822 77.608 49.209 61.783 1.00 0.00 WT8 H ATOM 56125 OH2 TIP3 8845 45.625 49.275 -13.866 1.00 0.00 WT8 O ATOM 56126 H1 TIP3 8845 46.206 49.036 -14.588 1.00 0.00 WT8 H ATOM 56127 H2 TIP3 8845 44.997 49.884 -14.255 1.00 0.00 WT8 H ATOM 56128 OH2 TIP3 8927 33.289 20.021 -5.046 1.00 0.00 WT8 O ATOM 56129 H1 TIP3 8927 33.056 20.720 -5.657 1.00 0.00 WT8 H ATOM 56130 H2 TIP3 8927 34.120 20.303 -4.663 1.00 0.00 WT8 H ATOM 56131 OH2 TIP3 8935 63.685 59.331 32.322 1.00 0.00 WT8 O ATOM 56132 H1 TIP3 8935 63.517 58.404 32.150 1.00 0.00 WT8 H ATOM 56133 H2 TIP3 8935 63.562 59.759 31.474 1.00 0.00 WT8 H ATOM 56134 OH2 TIP3 8972 50.441 92.063 6.339 1.00 0.00 WT8 O ATOM 56135 H1 TIP3 8972 50.007 92.343 7.145 1.00 0.00 WT8 H ATOM 56136 H2 TIP3 8972 50.600 91.127 6.465 1.00 0.00 WT8 H ATOM 56137 OH2 TIP3 8973 45.069 8.452 -7.764 1.00 0.00 WT8 O ATOM 56138 H1 TIP3 8973 44.130 8.588 -7.641 1.00 0.00 WT8 H ATOM 56139 H2 TIP3 8973 45.432 9.334 -7.840 1.00 0.00 WT8 H ATOM 56140 OH2 TIP3 8977 32.002 67.518 60.649 1.00 0.00 WT8 O ATOM 56141 H1 TIP3 8977 31.330 68.132 60.945 1.00 0.00 WT8 H ATOM 56142 H2 TIP3 8977 31.818 66.711 61.130 1.00 0.00 WT8 H ATOM 56143 OH2 TIP3 8988 29.178 79.449 63.697 1.00 0.00 WT8 O ATOM 56144 H1 TIP3 8988 28.540 79.557 62.992 1.00 0.00 WT8 H ATOM 56145 H2 TIP3 8988 29.269 80.325 64.074 1.00 0.00 WT8 H ATOM 56146 OH2 TIP3 9055 33.670 74.723 55.362 1.00 0.00 WT8 O ATOM 56147 H1 TIP3 9055 32.865 74.697 55.879 1.00 0.00 WT8 H ATOM 56148 H2 TIP3 9055 33.413 74.393 54.501 1.00 0.00 WT8 H ATOM 56149 OH2 TIP3 9096 73.293 45.017 46.629 1.00 0.00 WT8 O ATOM 56150 H1 TIP3 9096 74.210 45.253 46.769 1.00 0.00 WT8 H ATOM 56151 H2 TIP3 9096 73.292 44.539 45.799 1.00 0.00 WT8 H ATOM 56152 OH2 TIP3 9250 80.834 8.375 35.046 1.00 0.00 WT8 O ATOM 56153 H1 TIP3 9250 80.328 9.087 35.438 1.00 0.00 WT8 H ATOM 56154 H2 TIP3 9250 80.186 7.850 34.577 1.00 0.00 WT8 H ATOM 56155 SOD SOD 1 82.905 73.546 2.067 1.00 0.00 ION NA ATOM 56156 SOD SOD 2 42.471 79.896 5.977 1.00 0.00 ION NA ATOM 56157 SOD SOD 3 59.268 65.696 65.259 1.00 0.00 ION NA ATOM 56158 SOD SOD 4 57.775 13.327 57.012 1.00 0.00 ION NA ATOM 56159 SOD SOD 5 81.197 20.106 65.522 1.00 0.00 ION NA ATOM 56160 SOD SOD 6 62.929 27.097 -8.010 1.00 0.00 ION NA ATOM 56161 SOD SOD 7 86.959 74.148 52.323 1.00 0.00 ION NA ATOM 56162 SOD SOD 8 69.349 33.628 29.363 1.00 0.00 ION NA ATOM 56163 SOD SOD 9 66.035 40.404 1.721 1.00 0.00 ION NA ATOM 56164 SOD SOD 10 67.470 26.322 10.670 1.00 0.00 ION NA ATOM 56165 SOD SOD 11 35.587 78.495 -17.781 1.00 0.00 ION NA ATOM 56166 SOD SOD 12 66.182 29.880 38.214 1.00 0.00 ION NA ATOM 56167 SOD SOD 13 65.831 3.014 11.924 1.00 0.00 ION NA ATOM 56168 SOD SOD 14 22.983 68.131 63.308 1.00 0.00 ION NA ATOM 56169 SOD SOD 15 20.937 77.670 44.745 1.00 0.00 ION NA ATOM 56170 SOD SOD 16 44.358 44.313 -9.406 1.00 0.00 ION NA ATOM 56171 SOD SOD 17 78.044 40.236 2.795 1.00 0.00 ION NA ATOM 56172 SOD SOD 18 30.494 27.969 35.915 1.00 0.00 ION NA ATOM 56173 SOD SOD 19 59.659 81.766 -15.070 1.00 0.00 ION NA ATOM 56174 SOD SOD 20 61.706 84.617 -0.162 1.00 0.00 ION NA ATOM 56175 SOD SOD 21 21.948 57.795 35.526 1.00 0.00 ION NA ATOM 56176 SOD SOD 22 58.479 73.617 55.547 1.00 0.00 ION NA ATOM 56177 SOD SOD 23 77.289 70.326 59.393 1.00 0.00 ION NA ATOM 56178 SOD SOD 24 38.592 33.075 2.801 1.00 0.00 ION NA ATOM 56179 SOD SOD 25 89.769 1.950 -3.193 1.00 0.00 ION NA ATOM 56180 SOD SOD 26 36.682 58.206 62.443 1.00 0.00 ION NA ATOM 56181 SOD SOD 27 75.685 87.324 -3.843 1.00 0.00 ION NA ATOM 56182 SOD SOD 28 54.339 0.560 -1.721 1.00 0.00 ION NA ATOM 56183 SOD SOD 29 68.905 44.749 50.915 1.00 0.00 ION NA ATOM 56184 SOD SOD 30 87.822 90.365 63.371 1.00 0.00 ION NA ATOM 56185 SOD SOD 31 44.297 18.724 64.839 1.00 0.00 ION NA ATOM 56186 SOD SOD 32 58.384 78.211 28.253 1.00 0.00 ION NA ATOM 56187 SOD SOD 33 77.303 16.626 59.451 1.00 0.00 ION NA ATOM 56188 SOD SOD 34 65.897 20.502 54.371 1.00 0.00 ION NA ATOM 56189 SOD SOD 35 73.812 78.875 3.512 1.00 0.00 ION NA ATOM 56190 SOD SOD 36 74.186 40.340 60.961 1.00 0.00 ION NA ATOM 56191 SOD SOD 37 77.104 90.511 58.631 1.00 0.00 ION NA ATOM 56192 SOD SOD 38 73.289 89.594 10.407 1.00 0.00 ION NA ATOM 56193 SOD SOD 39 35.155 91.831 31.266 1.00 0.00 ION NA ATOM 56194 SOD SOD 40 47.231 45.284 2.256 1.00 0.00 ION NA ATOM 56195 SOD SOD 41 41.393 37.251 -19.768 1.00 0.00 ION NA ATOM 56196 SOD SOD 42 71.487 36.279 43.297 1.00 0.00 ION NA ATOM 56197 SOD SOD 43 61.832 22.378 63.906 1.00 0.00 ION NA ATOM 56198 SOD SOD 44 84.962 60.290 -9.574 1.00 0.00 ION NA ATOM 56199 SOD SOD 45 80.922 73.329 13.328 1.00 0.00 ION NA ATOM 56200 SOD SOD 46 76.604 74.707 -17.084 1.00 0.00 ION NA ATOM 56201 SOD SOD 47 76.057 81.832 14.828 1.00 0.00 ION NA ATOM 56202 SOD SOD 48 73.409 40.577 -15.234 1.00 0.00 ION NA ATOM 56203 SOD SOD 49 53.084 93.261 61.913 1.00 0.00 ION NA ATOM 56204 SOD SOD 50 23.242 84.811 4.029 1.00 0.00 ION NA ATOM 56205 SOD SOD 51 34.070 74.315 25.540 1.00 0.00 ION NA ATOM 56206 SOD SOD 52 40.121 6.629 35.219 1.00 0.00 ION NA ATOM 56207 SOD SOD 53 46.340 4.310 -5.807 1.00 0.00 ION NA ATOM 56208 SOD SOD 54 36.955 69.296 57.498 1.00 0.00 ION NA ATOM 56209 SOD SOD 55 78.864 47.738 33.083 1.00 0.00 ION NA ATOM 56210 SOD SOD 56 53.091 23.586 37.457 1.00 0.00 ION NA ATOM 56211 SOD SOD 57 87.199 34.232 -10.369 1.00 0.00 ION NA ATOM 56212 SOD SOD 58 55.527 14.902 -11.578 1.00 0.00 ION NA ATOM 56213 SOD SOD 59 88.546 72.766 -18.933 1.00 0.00 ION NA ATOM 56214 SOD SOD 60 65.841 45.387 63.512 1.00 0.00 ION NA ATOM 56215 SOD SOD 61 22.769 8.887 52.230 1.00 0.00 ION NA ATOM 56216 SOD SOD 62 27.942 49.497 38.436 1.00 0.00 ION NA ATOM 56217 SOD SOD 63 83.580 51.797 42.508 1.00 0.00 ION NA ATOM 56218 SOD SOD 64 56.886 14.692 23.424 1.00 0.00 ION NA ATOM 56219 SOD SOD 65 37.649 37.495 52.650 1.00 0.00 ION NA ATOM 56220 SOD SOD 66 88.046 9.811 38.838 1.00 0.00 ION NA ATOM 56221 SOD SOD 67 27.217 44.732 58.195 1.00 0.00 ION NA ATOM 56222 SOD SOD 68 26.708 34.784 41.249 1.00 0.00 ION NA ATOM 56223 SOD SOD 69 70.896 26.707 -16.993 1.00 0.00 ION NA ATOM 56224 SOD SOD 70 52.549 10.495 -2.357 1.00 0.00 ION NA ATOM 56225 SOD SOD 71 47.038 22.298 -18.678 1.00 0.00 ION NA ATOM 56226 SOD SOD 72 35.735 49.547 39.620 1.00 0.00 ION NA ATOM 56227 SOD SOD 73 30.388 57.714 43.366 1.00 0.00 ION NA ATOM 56228 SOD SOD 74 32.404 50.528 32.486 1.00 0.00 ION NA ATOM 56229 SOD SOD 75 23.728 7.889 5.929 1.00 0.00 ION NA ATOM 56230 SOD SOD 76 69.674 29.825 57.887 1.00 0.00 ION NA ATOM 56231 SOD SOD 77 90.343 93.220 45.900 1.00 0.00 ION NA ATOM 56232 SOD SOD 78 56.172 3.099 24.591 1.00 0.00 ION NA ATOM 56233 SOD SOD 79 22.511 27.804 55.067 1.00 0.00 ION NA ATOM 56234 SOD SOD 80 61.978 68.640 42.214 1.00 0.00 ION NA END