CRYST1 16.000 24.000 24.000 90.00 90.00 90.00 P 1 1 ATOM 1 OH2 TIP3W 5 3.668 10.082 15.904 1.00 0.00 WT1 O ATOM 2 H1 TIP3W 5 3.224 10.451 15.101 1.00 0.00 WT1 H ATOM 3 H2 TIP3W 5 3.092 10.379 16.627 1.00 0.00 WT1 H ATOM 4 OH2 TIP3W 7 6.033 4.876 20.891 1.00 0.00 WT1 O ATOM 5 H1 TIP3W 7 6.078 5.224 21.798 1.00 0.00 WT1 H ATOM 6 H2 TIP3W 7 6.592 4.088 20.961 1.00 0.00 WT1 H ATOM 7 OH2 TIP3W 21 5.186 16.696 12.072 1.00 0.00 WT1 O ATOM 8 H1 TIP3W 21 6.083 16.979 11.816 1.00 0.00 WT1 H ATOM 9 H2 TIP3W 21 5.337 15.832 12.490 1.00 0.00 WT1 H ATOM 10 OH2 TIP3W 29 8.324 13.811 21.332 1.00 0.00 WT1 O ATOM 11 H1 TIP3W 29 8.633 13.348 22.112 1.00 0.00 WT1 H ATOM 12 H2 TIP3W 29 8.506 13.116 20.645 1.00 0.00 WT1 H ATOM 13 OH2 TIP3W 44 3.786 16.318 1.310 1.00 0.00 WT1 O ATOM 14 H1 TIP3W 44 3.781 15.388 1.196 1.00 0.00 WT1 H ATOM 15 H2 TIP3W 44 4.528 16.580 0.781 1.00 0.00 WT1 H ATOM 16 OH2 TIP3W 46 6.205 6.991 18.442 1.00 0.00 WT1 O ATOM 17 H1 TIP3W 46 6.782 7.347 19.152 1.00 0.00 WT1 H ATOM 18 H2 TIP3W 46 5.309 7.062 18.800 1.00 0.00 WT1 H ATOM 19 OH2 TIP3W 48 2.750 8.844 9.629 1.00 0.00 WT1 O ATOM 20 H1 TIP3W 48 2.110 8.290 9.998 1.00 0.00 WT1 H ATOM 21 H2 TIP3W 48 2.164 9.245 8.962 1.00 0.00 WT1 H ATOM 22 OH2 TIP3W 52 3.935 16.195 22.109 1.00 0.00 WT1 O ATOM 23 H1 TIP3W 52 4.870 16.034 21.985 1.00 0.00 WT1 H ATOM 24 H2 TIP3W 52 3.655 15.367 22.581 1.00 0.00 WT1 H ATOM 25 OH2 TIP3W 64 10.674 8.909 4.986 1.00 0.00 WT1 O ATOM 26 H1 TIP3W 64 10.998 8.871 5.932 1.00 0.00 WT1 H ATOM 27 H2 TIP3W 64 9.748 9.270 5.075 1.00 0.00 WT1 H ATOM 28 OH2 TIP3W 67 0.002 5.667 14.591 1.00 0.00 WT1 O ATOM 29 H1 TIP3W 67 0.483 5.990 13.830 1.00 0.00 WT1 H ATOM 30 H2 TIP3W 67 0.608 5.781 15.347 1.00 0.00 WT1 H ATOM 31 OH2 TIP3W 68 9.882 9.156 14.916 1.00 0.00 WT1 O ATOM 32 H1 TIP3W 68 9.574 9.753 15.597 1.00 0.00 WT1 H ATOM 33 H2 TIP3W 68 10.021 8.264 15.289 1.00 0.00 WT1 H ATOM 34 OH2 TIP3W 87 1.661 6.681 1.943 1.00 0.00 WT1 O ATOM 35 H1 TIP3W 87 1.943 5.739 1.981 1.00 0.00 WT1 H ATOM 36 H2 TIP3W 87 0.778 6.599 1.483 1.00 0.00 WT1 H ATOM 37 OH2 TIP3W 88 4.821 20.603 11.239 1.00 0.00 WT1 O ATOM 38 H1 TIP3W 88 5.466 20.782 11.963 1.00 0.00 WT1 H ATOM 39 H2 TIP3W 88 5.384 20.914 10.456 1.00 0.00 WT1 H ATOM 40 OH2 TIP3W 90 15.022 20.855 12.831 1.00 0.00 WT1 O ATOM 41 H1 TIP3W 90 14.222 20.809 13.292 1.00 0.00 WT1 H ATOM 42 H2 TIP3W 90 14.673 21.057 11.918 1.00 0.00 WT1 H ATOM 43 OH2 TIP3W 94 1.339 3.782 22.814 1.00 0.00 WT1 O ATOM 44 H1 TIP3W 94 0.839 3.425 22.087 1.00 0.00 WT1 H ATOM 45 H2 TIP3W 94 1.775 3.077 23.138 1.00 0.00 WT1 H ATOM 46 OH2 TIP3W 95 0.485 15.137 22.476 1.00 0.00 WT1 O ATOM 47 H1 TIP3W 95 0.644 15.425 23.349 1.00 0.00 WT1 H ATOM 48 H2 TIP3W 95 0.312 15.961 21.975 1.00 0.00 WT1 H ATOM 49 OH2 TIP3W 111 10.426 7.604 2.404 1.00 0.00 WT1 O ATOM 50 H1 TIP3W 111 10.761 8.401 1.994 1.00 0.00 WT1 H ATOM 51 H2 TIP3W 111 10.248 7.889 3.308 1.00 0.00 WT1 H ATOM 52 OH2 TIP3W 113 4.269 22.752 16.265 1.00 0.00 WT1 O ATOM 53 H1 TIP3W 113 4.149 23.680 15.888 1.00 0.00 WT1 H ATOM 54 H2 TIP3W 113 5.061 22.796 16.776 1.00 0.00 WT1 H ATOM 55 OH2 TIP3W 130 10.926 5.365 1.018 1.00 0.00 WT1 O ATOM 56 H1 TIP3W 130 11.138 4.769 1.754 1.00 0.00 WT1 H ATOM 57 H2 TIP3W 130 10.657 6.212 1.493 1.00 0.00 WT1 H ATOM 58 OH2 TIP3W 133 8.647 4.314 19.278 1.00 0.00 WT1 O ATOM 59 H1 TIP3W 133 7.964 3.611 19.326 1.00 0.00 WT1 H ATOM 60 H2 TIP3W 133 8.043 5.064 19.153 1.00 0.00 WT1 H ATOM 61 OH2 TIP3W 134 8.381 17.319 23.275 1.00 0.00 WT1 O ATOM 62 H1 TIP3W 134 7.516 17.340 23.695 1.00 0.00 WT1 H ATOM 63 H2 TIP3W 134 8.431 18.263 23.009 1.00 0.00 WT1 H ATOM 64 OH2 TIP3W 150 4.299 17.774 7.169 1.00 0.00 WT1 O ATOM 65 H1 TIP3W 150 3.303 17.803 7.322 1.00 0.00 WT1 H ATOM 66 H2 TIP3W 150 4.533 18.755 6.924 1.00 0.00 WT1 H ATOM 67 OH2 TIP3W 152 8.892 12.977 5.321 1.00 0.00 WT1 O ATOM 68 H1 TIP3W 152 8.119 12.478 5.443 1.00 0.00 WT1 H ATOM 69 H2 TIP3W 152 9.342 12.557 4.536 1.00 0.00 WT1 H ATOM 70 OH2 TIP3W 167 2.174 18.468 2.212 1.00 0.00 WT1 O ATOM 71 H1 TIP3W 167 2.632 17.628 2.203 1.00 0.00 WT1 H ATOM 72 H2 TIP3W 167 2.931 19.120 2.281 1.00 0.00 WT1 H ATOM 73 OH2 TIP3W 239 13.612 17.680 18.622 1.00 0.00 WT1 O ATOM 74 H1 TIP3W 239 13.744 17.414 19.508 1.00 0.00 WT1 H ATOM 75 H2 TIP3W 239 14.526 17.831 18.347 1.00 0.00 WT1 H ATOM 76 OH2 TIP3W 443 9.935 12.876 10.191 1.00 0.00 WT1 O ATOM 77 H1 TIP3W 443 9.709 12.098 9.634 1.00 0.00 WT1 H ATOM 78 H2 TIP3W 443 9.472 12.766 11.018 1.00 0.00 WT1 H ATOM 79 OH2 TIP3W 450 7.060 2.074 19.830 1.00 0.00 WT1 O ATOM 80 H1 TIP3W 450 7.650 1.619 20.528 1.00 0.00 WT1 H ATOM 81 H2 TIP3W 450 6.148 1.796 20.035 1.00 0.00 WT1 H ATOM 82 OH2 TIP3W 465 13.891 1.919 2.992 1.00 0.00 WT1 O ATOM 83 H1 TIP3W 465 14.198 2.681 3.422 1.00 0.00 WT1 H ATOM 84 H2 TIP3W 465 13.212 1.577 3.578 1.00 0.00 WT1 H ATOM 85 OH2 TIP3W 466 8.823 10.581 8.827 1.00 0.00 WT1 O ATOM 86 H1 TIP3W 466 8.183 10.753 8.148 1.00 0.00 WT1 H ATOM 87 H2 TIP3W 466 8.389 10.061 9.534 1.00 0.00 WT1 H ATOM 88 OH2 TIP3W 469 9.078 11.967 12.734 1.00 0.00 WT1 O ATOM 89 H1 TIP3W 469 8.228 11.561 12.993 1.00 0.00 WT1 H ATOM 90 H2 TIP3W 469 9.512 12.194 13.560 1.00 0.00 WT1 H ATOM 91 OH2 TIP3W 484 10.282 0.640 2.053 1.00 0.00 WT1 O ATOM 92 H1 TIP3W 484 10.367 0.959 3.016 1.00 0.00 WT1 H ATOM 93 H2 TIP3W 484 9.743 1.323 1.667 1.00 0.00 WT1 H ATOM 94 OH2 TIP3W 485 4.618 8.125 7.777 1.00 0.00 WT1 O ATOM 95 H1 TIP3W 485 5.405 7.919 8.314 1.00 0.00 WT1 H ATOM 96 H2 TIP3W 485 4.002 8.458 8.422 1.00 0.00 WT1 H ATOM 97 OH2 TIP3W 486 3.403 4.687 9.815 1.00 0.00 WT1 O ATOM 98 H1 TIP3W 486 3.109 5.272 9.097 1.00 0.00 WT1 H ATOM 99 H2 TIP3W 486 3.817 3.973 9.327 1.00 0.00 WT1 H ATOM 100 OH2 TIP3W 489 3.276 7.465 19.325 1.00 0.00 WT1 O ATOM 101 H1 TIP3W 489 2.772 6.991 19.964 1.00 0.00 WT1 H ATOM 102 H2 TIP3W 489 3.604 8.288 19.753 1.00 0.00 WT1 H ATOM 103 OH2 TIP3W 503 3.119 10.325 13.158 1.00 0.00 WT1 O ATOM 104 H1 TIP3W 503 3.598 10.900 12.512 1.00 0.00 WT1 H ATOM 105 H2 TIP3W 503 3.440 9.430 12.962 1.00 0.00 WT1 H ATOM 106 OH2 TIP3W 506 2.378 5.806 16.253 1.00 0.00 WT1 O ATOM 107 H1 TIP3W 506 2.157 6.161 17.099 1.00 0.00 WT1 H ATOM 108 H2 TIP3W 506 3.301 6.032 16.126 1.00 0.00 WT1 H ATOM 109 OH2 TIP3W 507 6.382 22.271 2.319 1.00 0.00 WT1 O ATOM 110 H1 TIP3W 507 5.550 22.035 1.847 1.00 0.00 WT1 H ATOM 111 H2 TIP3W 507 6.859 21.472 2.192 1.00 0.00 WT1 H ATOM 112 OH2 TIP3W 509 4.017 3.905 19.418 1.00 0.00 WT1 O ATOM 113 H1 TIP3W 509 3.142 4.042 19.132 1.00 0.00 WT1 H ATOM 114 H2 TIP3W 509 4.582 4.727 19.295 1.00 0.00 WT1 H ATOM 115 OH2 TIP3W 511 2.344 20.472 21.631 1.00 0.00 WT1 O ATOM 116 H1 TIP3W 511 2.932 20.821 20.945 1.00 0.00 WT1 H ATOM 117 H2 TIP3W 511 1.467 20.548 21.138 1.00 0.00 WT1 H ATOM 118 OH2 TIP3W 517 14.526 10.532 20.137 1.00 0.00 WT1 O ATOM 119 H1 TIP3W 517 14.162 9.733 20.503 1.00 0.00 WT1 H ATOM 120 H2 TIP3W 517 14.466 10.420 19.194 1.00 0.00 WT1 H ATOM 121 OH2 TIP3W 533 5.573 14.804 19.090 1.00 0.00 WT1 O ATOM 122 H1 TIP3W 533 5.959 15.339 19.808 1.00 0.00 WT1 H ATOM 123 H2 TIP3W 533 5.869 15.413 18.331 1.00 0.00 WT1 H ATOM 124 OH2 TIP3W 543 5.458 13.097 4.589 1.00 0.00 WT1 O ATOM 125 H1 TIP3W 543 5.673 13.019 3.612 1.00 0.00 WT1 H ATOM 126 H2 TIP3W 543 4.899 13.894 4.657 1.00 0.00 WT1 H ATOM 127 OH2 TIP3W 550 4.552 1.370 20.330 1.00 0.00 WT1 O ATOM 128 H1 TIP3W 550 4.274 2.194 19.953 1.00 0.00 WT1 H ATOM 129 H2 TIP3W 550 4.235 0.801 19.571 1.00 0.00 WT1 H ATOM 130 OH2 TIP3W 554 5.160 13.744 7.954 1.00 0.00 WT1 O ATOM 131 H1 TIP3W 554 6.048 13.422 8.207 1.00 0.00 WT1 H ATOM 132 H2 TIP3W 554 5.008 14.493 8.528 1.00 0.00 WT1 H ATOM 133 OH2 TIP3W 558 10.390 6.386 18.828 1.00 0.00 WT1 O ATOM 134 H1 TIP3W 558 10.688 6.484 19.731 1.00 0.00 WT1 H ATOM 135 H2 TIP3W 558 9.844 5.589 18.921 1.00 0.00 WT1 H ATOM 136 OH2 TIP3W 562 1.678 21.942 1.035 1.00 0.00 WT1 O ATOM 137 H1 TIP3W 562 1.272 21.280 1.592 1.00 0.00 WT1 H ATOM 138 H2 TIP3W 562 1.498 22.809 1.493 1.00 0.00 WT1 H ATOM 139 OH2 TIP3W 568 9.630 21.547 3.000 1.00 0.00 WT1 O ATOM 140 H1 TIP3W 568 9.601 22.471 2.643 1.00 0.00 WT1 H ATOM 141 H2 TIP3W 568 9.287 20.954 2.312 1.00 0.00 WT1 H ATOM 142 OH2 TIP3W 575 2.344 10.571 2.624 1.00 0.00 WT1 O ATOM 143 H1 TIP3W 575 2.122 10.753 3.553 1.00 0.00 WT1 H ATOM 144 H2 TIP3W 575 2.947 9.791 2.617 1.00 0.00 WT1 H ATOM 145 OH2 TIP3W 584 0.823 23.668 2.888 1.00 0.00 WT1 O ATOM 146 H1 TIP3W 584 1.636 23.316 3.340 1.00 0.00 WT1 H ATOM 147 H2 TIP3W 584 0.253 23.978 3.640 1.00 0.00 WT1 H ATOM 148 OH2 TIP3W 594 2.710 6.185 7.540 1.00 0.00 WT1 O ATOM 149 H1 TIP3W 594 2.467 6.236 6.561 1.00 0.00 WT1 H ATOM 150 H2 TIP3W 594 3.410 6.855 7.580 1.00 0.00 WT1 H ATOM 151 OH2 TIP3W 595 6.911 19.458 17.335 1.00 0.00 WT1 O ATOM 152 H1 TIP3W 595 7.517 20.118 16.957 1.00 0.00 WT1 H ATOM 153 H2 TIP3W 595 6.315 19.136 16.588 1.00 0.00 WT1 H ATOM 154 OH2 TIP3W 613 13.540 22.220 2.748 1.00 0.00 WT1 O ATOM 155 H1 TIP3W 613 12.965 22.475 3.462 1.00 0.00 WT1 H ATOM 156 H2 TIP3W 613 14.428 22.404 3.074 1.00 0.00 WT1 H ATOM 157 OH2 TIP3W 634 10.929 14.750 5.718 1.00 0.00 WT1 O ATOM 158 H1 TIP3W 634 10.050 14.541 5.408 1.00 0.00 WT1 H ATOM 159 H2 TIP3W 634 11.401 13.879 5.717 1.00 0.00 WT1 H ATOM 160 OH2 TIP3W 822 0.747 4.469 10.579 1.00 0.00 WT1 O ATOM 161 H1 TIP3W 822 0.426 3.568 10.339 1.00 0.00 WT1 H ATOM 162 H2 TIP3W 822 1.505 4.585 9.990 1.00 0.00 WT1 H ATOM 163 OH2 TIP3W 849 5.356 5.388 16.046 1.00 0.00 WT1 O ATOM 164 H1 TIP3W 849 5.884 6.064 16.461 1.00 0.00 WT1 H ATOM 165 H2 TIP3W 849 5.592 4.622 16.537 1.00 0.00 WT1 H ATOM 166 OH2 TIP3W 867 10.704 6.721 15.883 1.00 0.00 WT1 O ATOM 167 H1 TIP3W 867 10.901 6.912 16.836 1.00 0.00 WT1 H ATOM 168 H2 TIP3W 867 10.127 5.972 15.998 1.00 0.00 WT1 H ATOM 169 OH2 TIP3W 891 11.763 19.614 9.958 1.00 0.00 WT1 O ATOM 170 H1 TIP3W 891 12.279 20.405 9.866 1.00 0.00 WT1 H ATOM 171 H2 TIP3W 891 12.435 18.905 9.901 1.00 0.00 WT1 H ATOM 172 OH2 TIP3W 906 7.027 2.224 13.411 1.00 0.00 WT1 O ATOM 173 H1 TIP3W 906 6.185 2.801 13.535 1.00 0.00 WT1 H ATOM 174 H2 TIP3W 906 6.692 1.403 13.742 1.00 0.00 WT1 H ATOM 175 OH2 TIP3W 908 4.028 7.699 12.776 1.00 0.00 WT1 O ATOM 176 H1 TIP3W 908 4.577 7.193 12.138 1.00 0.00 WT1 H ATOM 177 H2 TIP3W 908 3.171 7.320 12.544 1.00 0.00 WT1 H ATOM 178 OH2 TIP3W 924 12.493 9.451 2.215 1.00 0.00 WT1 O ATOM 179 H1 TIP3W 924 12.908 9.840 2.987 1.00 0.00 WT1 H ATOM 180 H2 TIP3W 924 12.982 8.641 2.039 1.00 0.00 WT1 H ATOM 181 OH2 TIP3W 927 11.177 9.610 7.928 1.00 0.00 WT1 O ATOM 182 H1 TIP3W 927 10.443 10.172 8.053 1.00 0.00 WT1 H ATOM 183 H2 TIP3W 927 10.866 8.788 8.298 1.00 0.00 WT1 H ATOM 184 OH2 TIP3W 928 1.838 3.206 15.398 1.00 0.00 WT1 O ATOM 185 H1 TIP3W 928 2.201 4.081 15.545 1.00 0.00 WT1 H ATOM 186 H2 TIP3W 928 2.117 2.999 14.422 1.00 0.00 WT1 H ATOM 187 OH2 TIP3W 930 1.899 11.624 17.893 1.00 0.00 WT1 O ATOM 188 H1 TIP3W 930 1.139 11.678 17.305 1.00 0.00 WT1 H ATOM 189 H2 TIP3W 930 2.258 12.535 17.855 1.00 0.00 WT1 H ATOM 190 OH2 TIP3W 932 9.220 13.904 17.340 1.00 0.00 WT1 O ATOM 191 H1 TIP3W 932 10.062 14.198 17.738 1.00 0.00 WT1 H ATOM 192 H2 TIP3W 932 9.394 12.999 17.102 1.00 0.00 WT1 H ATOM 193 OH2 TIP3W 933 3.458 9.868 22.419 1.00 0.00 WT1 O ATOM 194 H1 TIP3W 933 4.398 10.016 22.654 1.00 0.00 WT1 H ATOM 195 H2 TIP3W 933 3.448 10.189 21.495 1.00 0.00 WT1 H ATOM 196 OH2 TIP3W 947 15.430 3.274 7.407 1.00 0.00 WT1 O ATOM 197 H1 TIP3W 947 15.458 2.741 8.157 1.00 0.00 WT1 H ATOM 198 H2 TIP3W 947 15.933 2.740 6.770 1.00 0.00 WT1 H ATOM 199 OH2 TIP3W 948 13.134 4.535 6.559 1.00 0.00 WT1 O ATOM 200 H1 TIP3W 948 12.434 3.932 6.938 1.00 0.00 WT1 H ATOM 201 H2 TIP3W 948 13.959 4.162 6.965 1.00 0.00 WT1 H ATOM 202 OH2 TIP3W 951 10.295 14.066 14.320 1.00 0.00 WT1 O ATOM 203 H1 TIP3W 951 10.592 14.067 15.226 1.00 0.00 WT1 H ATOM 204 H2 TIP3W 951 9.322 14.226 14.350 1.00 0.00 WT1 H ATOM 205 OH2 TIP3W 964 7.830 19.751 1.995 1.00 0.00 WT1 O ATOM 206 H1 TIP3W 964 7.257 19.870 1.247 1.00 0.00 WT1 H ATOM 207 H2 TIP3W 964 8.329 18.923 1.885 1.00 0.00 WT1 H ATOM 208 OH2 TIP3W 972 15.027 11.249 9.806 1.00 0.00 WT1 O ATOM 209 H1 TIP3W 972 15.636 10.953 9.104 1.00 0.00 WT1 H ATOM 210 H2 TIP3W 972 14.929 12.194 9.545 1.00 0.00 WT1 H ATOM 211 OH2 TIP3W 974 10.274 11.448 20.959 1.00 0.00 WT1 O ATOM 212 H1 TIP3W 974 10.893 11.073 21.654 1.00 0.00 WT1 H ATOM 213 H2 TIP3W 974 10.344 10.891 20.238 1.00 0.00 WT1 H ATOM 214 OH2 TIP3W 975 11.473 6.075 21.702 1.00 0.00 WT1 O ATOM 215 H1 TIP3W 975 12.046 5.667 22.431 1.00 0.00 WT1 H ATOM 216 H2 TIP3W 975 10.554 5.939 22.100 1.00 0.00 WT1 H ATOM 217 OH2 TIP3W 995 6.800 16.659 17.184 1.00 0.00 WT1 O ATOM 218 H1 TIP3W 995 7.143 16.649 16.327 1.00 0.00 WT1 H ATOM 219 H2 TIP3W 995 7.109 17.502 17.568 1.00 0.00 WT1 H ATOM 220 OH2 TIP3W1007 14.603 18.110 3.213 1.00 0.00 WT1 O ATOM 221 H1 TIP3W1007 14.275 17.655 3.963 1.00 0.00 WT1 H ATOM 222 H2 TIP3W1007 13.842 18.606 2.878 1.00 0.00 WT1 H ATOM 223 OH2 TIP3W1011 4.753 20.139 5.475 1.00 0.00 WT1 O ATOM 224 H1 TIP3W1011 4.769 21.053 5.846 1.00 0.00 WT1 H ATOM 225 H2 TIP3W1011 5.663 20.031 5.201 1.00 0.00 WT1 H ATOM 226 OH2 TIP3W1013 1.615 17.355 14.355 1.00 0.00 WT1 O ATOM 227 H1 TIP3W1013 1.225 16.480 14.420 1.00 0.00 WT1 H ATOM 228 H2 TIP3W1013 0.859 17.984 14.051 1.00 0.00 WT1 H ATOM 229 OH2 TIP3W1014 11.087 15.787 20.150 1.00 0.00 WT1 O ATOM 230 H1 TIP3W1014 11.221 14.877 19.698 1.00 0.00 WT1 H ATOM 231 H2 TIP3W1014 11.936 15.940 20.591 1.00 0.00 WT1 H ATOM 232 OH2 TIP3W1017 9.784 18.060 16.439 1.00 0.00 WT1 O ATOM 233 H1 TIP3W1017 10.576 18.166 15.922 1.00 0.00 WT1 H ATOM 234 H2 TIP3W1017 9.941 18.584 17.234 1.00 0.00 WT1 H ATOM 235 OH2 TIP3W1018 2.369 19.620 10.838 1.00 0.00 WT1 O ATOM 236 H1 TIP3W1018 2.051 19.425 11.701 1.00 0.00 WT1 H ATOM 237 H2 TIP3W1018 3.347 19.717 10.923 1.00 0.00 WT1 H ATOM 238 OH2 TIP3W1027 15.158 15.218 1.453 1.00 0.00 WT1 O ATOM 239 H1 TIP3W1027 15.286 16.123 1.160 1.00 0.00 WT1 H ATOM 240 H2 TIP3W1027 14.175 15.219 1.587 1.00 0.00 WT1 H ATOM 241 OH2 TIP3W1032 7.929 9.601 4.322 1.00 0.00 WT1 O ATOM 242 H1 TIP3W1032 7.364 10.340 3.912 1.00 0.00 WT1 H ATOM 243 H2 TIP3W1032 7.318 9.011 4.820 1.00 0.00 WT1 H ATOM 244 OH2 TIP3W1053 11.585 23.121 19.455 1.00 0.00 WT1 O ATOM 245 H1 TIP3W1053 12.413 23.205 19.982 1.00 0.00 WT1 H ATOM 246 H2 TIP3W1053 10.816 23.266 20.095 1.00 0.00 WT1 H ATOM 247 OH2 TIP3W1301 3.320 1.439 3.693 1.00 0.00 WT1 O ATOM 248 H1 TIP3W1301 3.018 1.263 2.795 1.00 0.00 WT1 H ATOM 249 H2 TIP3W1301 4.218 1.737 3.533 1.00 0.00 WT1 H ATOM 250 OH2 TIP3W1308 8.378 22.836 14.074 1.00 0.00 WT1 O ATOM 251 H1 TIP3W1308 9.127 23.085 13.478 1.00 0.00 WT1 H ATOM 252 H2 TIP3W1308 7.806 23.652 14.112 1.00 0.00 WT1 H ATOM 253 OH2 TIP3W1328 4.539 2.605 8.295 1.00 0.00 WT1 O ATOM 254 H1 TIP3W1328 5.460 2.702 8.123 1.00 0.00 WT1 H ATOM 255 H2 TIP3W1328 4.434 1.616 8.363 1.00 0.00 WT1 H ATOM 256 OH2 TIP3W1344 8.883 21.581 5.760 1.00 0.00 WT1 O ATOM 257 H1 TIP3W1344 8.705 22.232 6.446 1.00 0.00 WT1 H ATOM 258 H2 TIP3W1344 9.357 22.008 5.077 1.00 0.00 WT1 H ATOM 259 OH2 TIP3W1349 12.793 13.364 12.168 1.00 0.00 WT1 O ATOM 260 H1 TIP3W1349 12.787 13.548 11.223 1.00 0.00 WT1 H ATOM 261 H2 TIP3W1349 11.995 13.794 12.399 1.00 0.00 WT1 H ATOM 262 OH2 TIP3W1352 6.667 7.547 9.646 1.00 0.00 WT1 O ATOM 263 H1 TIP3W1352 6.103 6.975 10.296 1.00 0.00 WT1 H ATOM 264 H2 TIP3W1352 7.558 7.292 10.046 1.00 0.00 WT1 H ATOM 265 OH2 TIP3W1354 0.182 23.403 21.361 1.00 0.00 WT1 O ATOM 266 H1 TIP3W1354 0.301 23.585 22.346 1.00 0.00 WT1 H ATOM 267 H2 TIP3W1354 1.001 22.867 21.220 1.00 0.00 WT1 H ATOM 268 OH2 TIP3W1355 11.347 16.007 23.148 1.00 0.00 WT1 O ATOM 269 H1 TIP3W1355 11.779 15.126 23.087 1.00 0.00 WT1 H ATOM 270 H2 TIP3W1355 10.586 15.923 22.581 1.00 0.00 WT1 H ATOM 271 OH2 TIP3W1367 10.129 17.485 6.550 1.00 0.00 WT1 O ATOM 272 H1 TIP3W1367 9.231 17.467 6.920 1.00 0.00 WT1 H ATOM 273 H2 TIP3W1367 10.108 16.702 5.985 1.00 0.00 WT1 H ATOM 274 OH2 TIP3W1370 4.654 5.717 5.023 1.00 0.00 WT1 O ATOM 275 H1 TIP3W1370 5.059 5.126 4.395 1.00 0.00 WT1 H ATOM 276 H2 TIP3W1370 5.409 5.785 5.634 1.00 0.00 WT1 H ATOM 277 OH2 TIP3W1371 12.336 14.905 9.350 1.00 0.00 WT1 O ATOM 278 H1 TIP3W1371 11.849 15.588 8.883 1.00 0.00 WT1 H ATOM 279 H2 TIP3W1371 11.568 14.375 9.770 1.00 0.00 WT1 H ATOM 280 OH2 TIP3W1374 5.488 14.255 13.212 1.00 0.00 WT1 O ATOM 281 H1 TIP3W1374 6.279 14.126 13.709 1.00 0.00 WT1 H ATOM 282 H2 TIP3W1374 4.864 13.991 13.878 1.00 0.00 WT1 H ATOM 283 OH2 TIP3W1387 3.686 8.353 3.401 1.00 0.00 WT1 O ATOM 284 H1 TIP3W1387 4.494 7.930 3.084 1.00 0.00 WT1 H ATOM 285 H2 TIP3W1387 3.041 7.727 3.197 1.00 0.00 WT1 H ATOM 286 OH2 TIP3W1388 15.005 14.526 19.133 1.00 0.00 WT1 O ATOM 287 H1 TIP3W1388 15.742 13.941 19.238 1.00 0.00 WT1 H ATOM 288 H2 TIP3W1388 14.746 14.453 18.188 1.00 0.00 WT1 H ATOM 289 OH2 TIP3W1389 15.427 13.899 13.418 1.00 0.00 WT1 O ATOM 290 H1 TIP3W1389 15.598 14.703 13.915 1.00 0.00 WT1 H ATOM 291 H2 TIP3W1389 14.569 14.032 12.994 1.00 0.00 WT1 H ATOM 292 OH2 TIP3W1392 15.117 16.342 15.320 1.00 0.00 WT1 O ATOM 293 H1 TIP3W1392 14.190 16.658 15.235 1.00 0.00 WT1 H ATOM 294 H2 TIP3W1392 15.725 17.080 14.950 1.00 0.00 WT1 H ATOM 295 OH2 TIP3W1407 13.263 23.513 7.326 1.00 0.00 WT1 O ATOM 296 H1 TIP3W1407 14.083 23.900 7.689 1.00 0.00 WT1 H ATOM 297 H2 TIP3W1407 13.669 22.803 6.739 1.00 0.00 WT1 H ATOM 298 OH2 TIP3W1411 10.030 11.441 3.434 1.00 0.00 WT1 O ATOM 299 H1 TIP3W1411 9.274 10.827 3.422 1.00 0.00 WT1 H ATOM 300 H2 TIP3W1411 10.533 11.362 2.661 1.00 0.00 WT1 H ATOM 301 OH2 TIP3W1412 10.550 9.544 11.315 1.00 0.00 WT1 O ATOM 302 H1 TIP3W1412 10.055 10.343 11.396 1.00 0.00 WT1 H ATOM 303 H2 TIP3W1412 11.460 9.846 11.337 1.00 0.00 WT1 H ATOM 304 OH2 TIP3W1414 2.005 17.796 21.122 1.00 0.00 WT1 O ATOM 305 H1 TIP3W1414 2.773 17.325 21.598 1.00 0.00 WT1 H ATOM 306 H2 TIP3W1414 2.173 18.758 21.265 1.00 0.00 WT1 H ATOM 307 OH2 TIP3W1415 13.553 15.240 21.435 1.00 0.00 WT1 O ATOM 308 H1 TIP3W1415 14.103 14.959 20.726 1.00 0.00 WT1 H ATOM 309 H2 TIP3W1415 13.422 14.470 21.979 1.00 0.00 WT1 H ATOM 310 OH2 TIP3W1418 11.456 2.350 19.585 1.00 0.00 WT1 O ATOM 311 H1 TIP3W1418 10.731 2.931 19.730 1.00 0.00 WT1 H ATOM 312 H2 TIP3W1418 11.546 1.862 20.401 1.00 0.00 WT1 H ATOM 313 OH2 TIP3W1428 13.068 2.914 10.149 1.00 0.00 WT1 O ATOM 314 H1 TIP3W1428 12.803 2.473 9.295 1.00 0.00 WT1 H ATOM 315 H2 TIP3W1428 14.010 2.849 10.112 1.00 0.00 WT1 H ATOM 316 OH2 TIP3W1429 5.450 9.067 5.337 1.00 0.00 WT1 O ATOM 317 H1 TIP3W1429 4.722 8.840 4.711 1.00 0.00 WT1 H ATOM 318 H2 TIP3W1429 4.939 8.770 6.117 1.00 0.00 WT1 H ATOM 319 OH2 TIP3W1433 3.297 18.771 17.303 1.00 0.00 WT1 O ATOM 320 H1 TIP3W1433 3.913 19.272 17.825 1.00 0.00 WT1 H ATOM 321 H2 TIP3W1433 3.616 18.935 16.408 1.00 0.00 WT1 H ATOM 322 OH2 TIP3W1435 6.597 15.954 21.463 1.00 0.00 WT1 O ATOM 323 H1 TIP3W1435 7.157 15.160 21.200 1.00 0.00 WT1 H ATOM 324 H2 TIP3W1435 7.205 16.451 22.021 1.00 0.00 WT1 H ATOM 325 OH2 TIP3W1440 1.443 3.980 18.627 1.00 0.00 WT1 O ATOM 326 H1 TIP3W1440 1.536 3.050 18.247 1.00 0.00 WT1 H ATOM 327 H2 TIP3W1440 0.589 4.282 18.256 1.00 0.00 WT1 H ATOM 328 OH2 TIP3W1451 3.248 22.876 3.701 1.00 0.00 WT1 O ATOM 329 H1 TIP3W1451 2.662 22.334 4.248 1.00 0.00 WT1 H ATOM 330 H2 TIP3W1451 4.106 22.410 3.781 1.00 0.00 WT1 H ATOM 331 OH2 TIP3W1454 8.943 19.607 9.393 1.00 0.00 WT1 O ATOM 332 H1 TIP3W1454 9.890 19.666 9.174 1.00 0.00 WT1 H ATOM 333 H2 TIP3W1454 8.551 19.202 8.586 1.00 0.00 WT1 H ATOM 334 OH2 TIP3W1455 7.534 23.313 22.010 1.00 0.00 WT1 O ATOM 335 H1 TIP3W1455 7.309 22.777 22.738 1.00 0.00 WT1 H ATOM 336 H2 TIP3W1455 6.697 23.403 21.532 1.00 0.00 WT1 H ATOM 337 OH2 TIP3W1457 13.340 13.560 16.477 1.00 0.00 WT1 O ATOM 338 H1 TIP3W1457 13.400 13.568 15.542 1.00 0.00 WT1 H ATOM 339 H2 TIP3W1457 12.852 14.406 16.633 1.00 0.00 WT1 H ATOM 340 OH2 TIP3W1458 8.344 7.845 20.429 1.00 0.00 WT1 O ATOM 341 H1 TIP3W1458 8.479 8.292 21.236 1.00 0.00 WT1 H ATOM 342 H2 TIP3W1458 9.102 8.059 19.900 1.00 0.00 WT1 H ATOM 343 OH2 TIP3W1474 6.901 21.557 9.326 1.00 0.00 WT1 O ATOM 344 H1 TIP3W1474 7.410 20.744 9.384 1.00 0.00 WT1 H ATOM 345 H2 TIP3W1474 7.474 22.077 8.759 1.00 0.00 WT1 H ATOM 346 OH2 TIP3W1494 14.403 7.815 15.212 1.00 0.00 WT1 O ATOM 347 H1 TIP3W1494 13.532 8.206 14.911 1.00 0.00 WT1 H ATOM 348 H2 TIP3W1494 14.885 7.681 14.373 1.00 0.00 WT1 H ATOM 349 OH2 TIP3W1497 6.857 11.138 6.829 1.00 0.00 WT1 O ATOM 350 H1 TIP3W1497 6.107 11.750 6.800 1.00 0.00 WT1 H ATOM 351 H2 TIP3W1497 6.480 10.387 6.353 1.00 0.00 WT1 H ATOM 352 OH2 TIP3W1512 10.309 21.500 11.481 1.00 0.00 WT1 O ATOM 353 H1 TIP3W1512 11.014 20.928 11.185 1.00 0.00 WT1 H ATOM 354 H2 TIP3W1512 9.595 20.961 11.183 1.00 0.00 WT1 H ATOM 355 OH2 TIP3W1532 13.235 22.943 15.633 1.00 0.00 WT1 O ATOM 356 H1 TIP3W1532 12.613 22.525 16.194 1.00 0.00 WT1 H ATOM 357 H2 TIP3W1532 14.027 22.981 16.180 1.00 0.00 WT1 H ATOM 358 OH2 TIP3W1559 6.818 20.066 20.150 1.00 0.00 WT1 O ATOM 359 H1 TIP3W1559 7.686 20.067 20.626 1.00 0.00 WT1 H ATOM 360 H2 TIP3W1559 6.969 19.869 19.212 1.00 0.00 WT1 H ATOM 361 OH2 TIP3W1611 7.975 20.030 22.745 1.00 0.00 WT1 O ATOM 362 H1 TIP3W1611 8.632 20.654 22.435 1.00 0.00 WT1 H ATOM 363 H2 TIP3W1611 7.441 20.490 23.501 1.00 0.00 WT1 H ATOM 364 OH2 TIP3W1707 12.113 0.921 4.942 1.00 0.00 WT1 O ATOM 365 H1 TIP3W1707 12.819 0.635 5.562 1.00 0.00 WT1 H ATOM 366 H2 TIP3W1707 11.814 1.896 5.223 1.00 0.00 WT1 H ATOM 367 OH2 TIP3W1723 9.197 4.375 15.964 1.00 0.00 WT1 O ATOM 368 H1 TIP3W1723 9.163 3.590 15.387 1.00 0.00 WT1 H ATOM 369 H2 TIP3W1723 8.516 4.167 16.604 1.00 0.00 WT1 H ATOM 370 OH2 TIP3W1725 2.421 3.775 5.058 1.00 0.00 WT1 O ATOM 371 H1 TIP3W1725 2.684 2.934 4.652 1.00 0.00 WT1 H ATOM 372 H2 TIP3W1725 3.219 4.340 5.048 1.00 0.00 WT1 H ATOM 373 OH2 TIP3W1729 6.794 6.875 22.997 1.00 0.00 WT1 O ATOM 374 H1 TIP3W1729 7.166 7.815 23.093 1.00 0.00 WT1 H ATOM 375 H2 TIP3W1729 5.834 7.029 23.036 1.00 0.00 WT1 H ATOM 376 OH2 TIP3W1730 11.518 2.141 14.835 1.00 0.00 WT1 O ATOM 377 H1 TIP3W1730 11.356 2.769 14.101 1.00 0.00 WT1 H ATOM 378 H2 TIP3W1730 12.345 1.727 14.583 1.00 0.00 WT1 H ATOM 379 OH2 TIP3W1733 3.174 1.584 16.976 1.00 0.00 WT1 O ATOM 380 H1 TIP3W1733 2.370 2.077 16.810 1.00 0.00 WT1 H ATOM 381 H2 TIP3W1733 3.270 0.961 16.252 1.00 0.00 WT1 H ATOM 382 OH2 TIP3W1746 10.848 10.071 18.631 1.00 0.00 WT1 O ATOM 383 H1 TIP3W1746 10.345 10.477 17.907 1.00 0.00 WT1 H ATOM 384 H2 TIP3W1746 11.663 10.551 18.638 1.00 0.00 WT1 H ATOM 385 OH2 TIP3W1752 12.069 8.766 23.082 1.00 0.00 WT1 O ATOM 386 H1 TIP3W1752 12.023 9.290 23.888 1.00 0.00 WT1 H ATOM 387 H2 TIP3W1752 11.590 7.956 23.400 1.00 0.00 WT1 H ATOM 388 OH2 TIP3W1764 5.141 1.611 0.499 1.00 0.00 WT1 O ATOM 389 H1 TIP3W1764 4.697 1.110 1.234 1.00 0.00 WT1 H ATOM 390 H2 TIP3W1764 6.031 1.302 0.586 1.00 0.00 WT1 H ATOM 391 OH2 TIP3W1771 2.509 3.505 12.910 1.00 0.00 WT1 O ATOM 392 H1 TIP3W1771 2.114 4.138 12.315 1.00 0.00 WT1 H ATOM 393 H2 TIP3W1771 2.715 2.712 12.383 1.00 0.00 WT1 H ATOM 394 OH2 TIP3W1773 14.354 1.352 14.004 1.00 0.00 WT1 O ATOM 395 H1 TIP3W1773 14.694 0.623 14.565 1.00 0.00 WT1 H ATOM 396 H2 TIP3W1773 14.573 2.195 14.426 1.00 0.00 WT1 H ATOM 397 OH2 TIP3W1788 14.578 23.489 17.850 1.00 0.00 WT1 O ATOM 398 H1 TIP3W1788 15.476 23.267 17.861 1.00 0.00 WT1 H ATOM 399 H2 TIP3W1788 14.359 23.484 18.771 1.00 0.00 WT1 H ATOM 400 OH2 TIP3W1789 5.461 6.754 1.943 1.00 0.00 WT1 O ATOM 401 H1 TIP3W1789 6.412 6.627 2.018 1.00 0.00 WT1 H ATOM 402 H2 TIP3W1789 5.209 5.956 1.434 1.00 0.00 WT1 H ATOM 403 OH2 TIP3W1795 14.101 1.902 22.316 1.00 0.00 WT1 O ATOM 404 H1 TIP3W1795 14.886 2.398 22.002 1.00 0.00 WT1 H ATOM 405 H2 TIP3W1795 14.108 1.041 21.813 1.00 0.00 WT1 H ATOM 406 OH2 TIP3W1813 6.142 11.858 16.052 1.00 0.00 WT1 O ATOM 407 H1 TIP3W1813 5.762 12.642 15.675 1.00 0.00 WT1 H ATOM 408 H2 TIP3W1813 5.566 11.146 15.661 1.00 0.00 WT1 H ATOM 409 OH2 TIP3W1814 11.187 19.104 18.681 1.00 0.00 WT1 O ATOM 410 H1 TIP3W1814 12.029 18.566 18.863 1.00 0.00 WT1 H ATOM 411 H2 TIP3W1814 10.574 18.773 19.364 1.00 0.00 WT1 H ATOM 412 OH2 TIP3W1829 11.780 13.509 0.983 1.00 0.00 WT1 O ATOM 413 H1 TIP3W1829 12.311 13.422 1.794 1.00 0.00 WT1 H ATOM 414 H2 TIP3W1829 12.379 13.816 0.300 1.00 0.00 WT1 H ATOM 415 OH2 TIP3W1830 13.410 13.796 3.206 1.00 0.00 WT1 O ATOM 416 H1 TIP3W1830 12.860 13.342 3.952 1.00 0.00 WT1 H ATOM 417 H2 TIP3W1830 14.378 13.624 3.486 1.00 0.00 WT1 H ATOM 418 OH2 TIP3W1831 7.314 0.228 9.152 1.00 0.00 WT1 O ATOM 419 H1 TIP3W1831 7.447 0.196 8.157 1.00 0.00 WT1 H ATOM 420 H2 TIP3W1831 8.219 0.336 9.426 1.00 0.00 WT1 H ATOM 421 OH2 TIP3W1853 0.289 10.538 13.468 1.00 0.00 WT1 O ATOM 422 H1 TIP3W1853 0.286 10.937 12.602 1.00 0.00 WT1 H ATOM 423 H2 TIP3W1853 1.262 10.357 13.669 1.00 0.00 WT1 H ATOM 424 OH2 TIP3W1856 12.440 12.407 5.370 1.00 0.00 WT1 O ATOM 425 H1 TIP3W1856 11.652 11.887 5.105 1.00 0.00 WT1 H ATOM 426 H2 TIP3W1856 12.893 11.867 5.977 1.00 0.00 WT1 H ATOM 427 OH2 TIP3W1871 6.968 11.629 2.353 1.00 0.00 WT1 O ATOM 428 H1 TIP3W1871 6.575 10.896 1.807 1.00 0.00 WT1 H ATOM 429 H2 TIP3W1871 7.083 12.290 1.590 1.00 0.00 WT1 H ATOM 430 OH2 TIP3W1873 13.533 10.550 7.160 1.00 0.00 WT1 O ATOM 431 H1 TIP3W1873 12.608 10.309 7.490 1.00 0.00 WT1 H ATOM 432 H2 TIP3W1873 14.008 10.940 7.925 1.00 0.00 WT1 H ATOM 433 OH2 TIP3W1874 13.043 18.831 22.933 1.00 0.00 WT1 O ATOM 434 H1 TIP3W1874 13.439 17.936 22.986 1.00 0.00 WT1 H ATOM 435 H2 TIP3W1874 12.139 18.764 23.145 1.00 0.00 WT1 H ATOM 436 OH2 TIP3W1894 11.706 15.811 16.829 1.00 0.00 WT1 O ATOM 437 H1 TIP3W1894 10.892 16.347 16.590 1.00 0.00 WT1 H ATOM 438 H2 TIP3W1894 12.344 16.466 17.162 1.00 0.00 WT1 H ATOM 439 OH2 TIP3W1911 11.642 19.030 4.866 1.00 0.00 WT1 O ATOM 440 H1 TIP3W1911 10.752 18.786 5.209 1.00 0.00 WT1 H ATOM 441 H2 TIP3W1911 11.534 19.147 3.897 1.00 0.00 WT1 H ATOM 442 OH2 TIP3W1912 13.550 21.522 9.565 1.00 0.00 WT1 O ATOM 443 H1 TIP3W1912 13.279 21.744 8.655 1.00 0.00 WT1 H ATOM 444 H2 TIP3W1912 13.859 22.419 9.914 1.00 0.00 WT1 H ATOM 445 OH2 TIP3W1914 12.001 20.877 14.108 1.00 0.00 WT1 O ATOM 446 H1 TIP3W1914 12.060 21.566 14.774 1.00 0.00 WT1 H ATOM 447 H2 TIP3W1914 11.186 21.104 13.629 1.00 0.00 WT1 H ATOM 448 OH2 TIP3W1915 12.814 17.906 7.383 1.00 0.00 WT1 O ATOM 449 H1 TIP3W1915 13.379 17.410 6.688 1.00 0.00 WT1 H ATOM 450 H2 TIP3W1915 11.963 17.994 6.954 1.00 0.00 WT1 H ATOM 451 OH2 TIP3W1952 15.989 19.751 4.862 1.00 0.00 WT1 O ATOM 452 H1 TIP3W1952 15.952 20.632 4.460 1.00 0.00 WT1 H ATOM 453 H2 TIP3W1952 15.557 19.210 4.188 1.00 0.00 WT1 H ATOM 454 OH2 TIP3W2123 10.963 1.737 11.790 1.00 0.00 WT1 O ATOM 455 H1 TIP3W2123 10.319 2.240 11.334 1.00 0.00 WT1 H ATOM 456 H2 TIP3W2123 11.709 2.167 11.210 1.00 0.00 WT1 H ATOM 457 OH2 TIP3W2163 5.526 8.369 14.858 1.00 0.00 WT1 O ATOM 458 H1 TIP3W2163 4.950 8.218 14.072 1.00 0.00 WT1 H ATOM 459 H2 TIP3W2163 4.945 8.919 15.363 1.00 0.00 WT1 H ATOM 460 OH2 TIP3W2165 14.776 4.939 12.443 1.00 0.00 WT1 O ATOM 461 H1 TIP3W2165 14.636 5.952 12.252 1.00 0.00 WT1 H ATOM 462 H2 TIP3W2165 13.865 4.712 12.604 1.00 0.00 WT1 H ATOM 463 OH2 TIP3W2167 7.529 4.508 1.396 1.00 0.00 WT1 O ATOM 464 H1 TIP3W2167 8.313 4.582 0.857 1.00 0.00 WT1 H ATOM 465 H2 TIP3W2167 6.783 4.511 0.768 1.00 0.00 WT1 H ATOM 466 OH2 TIP3W2172 11.435 0.836 22.059 1.00 0.00 WT1 O ATOM 467 H1 TIP3W2172 11.858 0.103 21.657 1.00 0.00 WT1 H ATOM 468 H2 TIP3W2172 12.219 1.281 22.508 1.00 0.00 WT1 H ATOM 469 OH2 TIP3W2227 11.200 4.151 3.471 1.00 0.00 WT1 O ATOM 470 H1 TIP3W2227 12.053 4.360 3.928 1.00 0.00 WT1 H ATOM 471 H2 TIP3W2227 10.572 4.426 4.138 1.00 0.00 WT1 H ATOM 472 OH2 TIP3W2231 4.884 4.081 13.713 1.00 0.00 WT1 O ATOM 473 H1 TIP3W2231 4.970 4.746 14.373 1.00 0.00 WT1 H ATOM 474 H2 TIP3W2231 3.932 3.975 13.593 1.00 0.00 WT1 H ATOM 475 OH2 TIP3W2244 13.867 4.624 3.954 1.00 0.00 WT1 O ATOM 476 H1 TIP3W2244 14.067 4.641 4.904 1.00 0.00 WT1 H ATOM 477 H2 TIP3W2244 14.122 5.494 3.648 1.00 0.00 WT1 H ATOM 478 OH2 TIP3W2270 3.174 11.159 5.954 1.00 0.00 WT1 O ATOM 479 H1 TIP3W2270 3.904 11.073 5.352 1.00 0.00 WT1 H ATOM 480 H2 TIP3W2270 3.204 12.104 6.129 1.00 0.00 WT1 H ATOM 481 OH2 TIP3W2272 12.922 2.911 17.412 1.00 0.00 WT1 O ATOM 482 H1 TIP3W2272 12.421 2.431 18.089 1.00 0.00 WT1 H ATOM 483 H2 TIP3W2272 12.240 2.996 16.701 1.00 0.00 WT1 H ATOM 484 OH2 TIP3W2277 13.644 7.961 20.946 1.00 0.00 WT1 O ATOM 485 H1 TIP3W2277 13.183 7.158 20.680 1.00 0.00 WT1 H ATOM 486 H2 TIP3W2277 13.018 8.315 21.687 1.00 0.00 WT1 H ATOM 487 OH2 TIP3W2280 6.612 3.396 17.042 1.00 0.00 WT1 O ATOM 488 H1 TIP3W2280 6.138 2.987 17.830 1.00 0.00 WT1 H ATOM 489 H2 TIP3W2280 6.248 2.883 16.306 1.00 0.00 WT1 H ATOM 490 OH2 TIP3W2288 3.628 15.453 9.684 1.00 0.00 WT1 O ATOM 491 H1 TIP3W2288 3.604 16.368 9.365 1.00 0.00 WT1 H ATOM 492 H2 TIP3W2288 3.266 15.478 10.592 1.00 0.00 WT1 H ATOM 493 OH2 TIP3W2293 1.641 18.264 8.136 1.00 0.00 WT1 O ATOM 494 H1 TIP3W2293 0.755 18.490 8.008 1.00 0.00 WT1 H ATOM 495 H2 TIP3W2293 1.981 19.003 8.665 1.00 0.00 WT1 H ATOM 496 OH2 TIP3W2295 8.716 0.819 21.571 1.00 0.00 WT1 O ATOM 497 H1 TIP3W2295 8.359 0.399 22.460 1.00 0.00 WT1 H ATOM 498 H2 TIP3W2295 9.622 1.046 21.690 1.00 0.00 WT1 H ATOM 499 OH2 TIP3W2309 14.269 10.001 4.369 1.00 0.00 WT1 O ATOM 500 H1 TIP3W2309 14.973 10.528 4.752 1.00 0.00 WT1 H ATOM 501 H2 TIP3W2309 13.690 9.859 5.092 1.00 0.00 WT1 H ATOM 502 OH2 TIP3W2311 14.691 13.817 9.050 1.00 0.00 WT1 O ATOM 503 H1 TIP3W2311 15.162 14.372 8.385 1.00 0.00 WT1 H ATOM 504 H2 TIP3W2311 13.821 14.250 9.113 1.00 0.00 WT1 H ATOM 505 OH2 TIP3W2316 12.273 5.424 10.404 1.00 0.00 WT1 O ATOM 506 H1 TIP3W2316 12.384 4.472 10.210 1.00 0.00 WT1 H ATOM 507 H2 TIP3W2316 13.153 5.714 10.501 1.00 0.00 WT1 H ATOM 508 OH2 TIP3W2317 3.759 13.253 15.143 1.00 0.00 WT1 O ATOM 509 H1 TIP3W2317 3.552 13.546 16.059 1.00 0.00 WT1 H ATOM 510 H2 TIP3W2317 2.862 13.321 14.740 1.00 0.00 WT1 H ATOM 511 OH2 TIP3W2335 7.319 14.432 15.015 1.00 0.00 WT1 O ATOM 512 H1 TIP3W2335 7.633 15.319 14.742 1.00 0.00 WT1 H ATOM 513 H2 TIP3W2335 7.702 14.303 15.933 1.00 0.00 WT1 H ATOM 514 OH2 TIP3W2357 3.117 11.819 10.070 1.00 0.00 WT1 O ATOM 515 H1 TIP3W2357 3.490 12.496 9.523 1.00 0.00 WT1 H ATOM 516 H2 TIP3W2357 3.937 11.583 10.539 1.00 0.00 WT1 H ATOM 517 OH2 TIP3W2358 0.549 16.393 10.366 1.00 0.00 WT1 O ATOM 518 H1 TIP3W2358 1.292 16.322 11.016 1.00 0.00 WT1 H ATOM 519 H2 TIP3W2358 0.665 17.283 9.972 1.00 0.00 WT1 H ATOM 520 OH2 TIP3W2607 10.050 5.605 5.758 1.00 0.00 WT1 O ATOM 521 H1 TIP3W2607 10.155 6.554 5.556 1.00 0.00 WT1 H ATOM 522 H2 TIP3W2607 10.797 5.389 6.309 1.00 0.00 WT1 H ATOM 523 OH2 TIP3W2608 7.881 3.518 5.700 1.00 0.00 WT1 O ATOM 524 H1 TIP3W2608 8.550 4.225 5.812 1.00 0.00 WT1 H ATOM 525 H2 TIP3W2608 7.070 3.834 6.169 1.00 0.00 WT1 H ATOM 526 OH2 TIP3W2634 8.559 3.515 11.535 1.00 0.00 WT1 O ATOM 527 H1 TIP3W2634 8.435 4.298 12.155 1.00 0.00 WT1 H ATOM 528 H2 TIP3W2634 7.955 2.899 11.952 1.00 0.00 WT1 H ATOM 529 OH2 TIP3W2669 13.039 10.511 11.777 1.00 0.00 WT1 O ATOM 530 H1 TIP3W2669 13.825 10.589 11.282 1.00 0.00 WT1 H ATOM 531 H2 TIP3W2669 12.883 11.473 11.916 1.00 0.00 WT1 H ATOM 532 OH2 TIP3W2691 15.316 3.976 15.033 1.00 0.00 WT1 O ATOM 533 H1 TIP3W2691 15.353 4.265 14.065 1.00 0.00 WT1 H ATOM 534 H2 TIP3W2691 14.585 4.533 15.460 1.00 0.00 WT1 H ATOM 535 OH2 TIP3W2694 8.400 5.552 13.557 1.00 0.00 WT1 O ATOM 536 H1 TIP3W2694 9.070 5.240 14.185 1.00 0.00 WT1 H ATOM 537 H2 TIP3W2694 7.739 5.945 14.163 1.00 0.00 WT1 H ATOM 538 OH2 TIP3W2714 4.281 21.161 19.066 1.00 0.00 WT1 O ATOM 539 H1 TIP3W2714 5.157 21.058 19.381 1.00 0.00 WT1 H ATOM 540 H2 TIP3W2714 4.169 22.110 18.904 1.00 0.00 WT1 H ATOM 541 OH2 TIP3W2732 13.870 7.474 12.187 1.00 0.00 WT1 O ATOM 542 H1 TIP3W2732 13.209 8.073 12.633 1.00 0.00 WT1 H ATOM 543 H2 TIP3W2732 14.457 8.029 11.659 1.00 0.00 WT1 H ATOM 544 OH2 TIP3W2735 13.600 17.247 9.998 1.00 0.00 WT1 O ATOM 545 H1 TIP3W2735 13.256 16.385 10.107 1.00 0.00 WT1 H ATOM 546 H2 TIP3W2735 13.616 17.337 9.047 1.00 0.00 WT1 H ATOM 547 OH2 TIP3W2758 10.099 18.083 21.099 1.00 0.00 WT1 O ATOM 548 H1 TIP3W2758 10.453 17.258 20.699 1.00 0.00 WT1 H ATOM 549 H2 TIP3W2758 9.398 17.746 21.690 1.00 0.00 WT1 H ATOM 550 OH2 TIP3W2778 15.465 7.955 17.814 1.00 0.00 WT1 O ATOM 551 H1 TIP3W2778 15.150 7.979 16.932 1.00 0.00 WT1 H ATOM 552 H2 TIP3W2778 14.706 7.563 18.306 1.00 0.00 WT1 H ATOM 553 OH2 TIP3W3010 9.016 4.086 8.814 1.00 0.00 WT1 O ATOM 554 H1 TIP3W3010 9.377 5.001 8.813 1.00 0.00 WT1 H ATOM 555 H2 TIP3W3010 8.726 3.741 9.661 1.00 0.00 WT1 H ATOM 556 OH2 TIP3W3072 6.439 5.144 7.455 1.00 0.00 WT1 O ATOM 557 H1 TIP3W3072 7.310 4.836 7.837 1.00 0.00 WT1 H ATOM 558 H2 TIP3W3072 6.121 5.819 8.116 1.00 0.00 WT1 H ATOM 559 OH2 TIP3W3096 13.331 4.563 23.416 1.00 0.00 WT1 O ATOM 560 H1 TIP3W3096 14.315 4.772 23.360 1.00 0.00 WT1 H ATOM 561 H2 TIP3W3096 13.215 3.678 23.134 1.00 0.00 WT1 H ATOM 562 OH2 TIP3W3134 11.401 21.480 17.136 1.00 0.00 WT1 O ATOM 563 H1 TIP3W3134 11.522 22.112 17.856 1.00 0.00 WT1 H ATOM 564 H2 TIP3W3134 11.255 20.672 17.636 1.00 0.00 WT1 H ATOM 565 OH2 TIP3W3173 12.076 4.645 13.566 1.00 0.00 WT1 O ATOM 566 H1 TIP3W3173 12.000 5.522 13.148 1.00 0.00 WT1 H ATOM 567 H2 TIP3W3173 11.827 4.835 14.443 1.00 0.00 WT1 H ATOM 568 OH2 TIP3W3177 9.131 1.075 15.841 1.00 0.00 WT1 O ATOM 569 H1 TIP3W3177 9.948 1.463 15.412 1.00 0.00 WT1 H ATOM 570 H2 TIP3W3177 9.113 0.161 15.464 1.00 0.00 WT1 H ATOM 571 OH2 TIP3W3196 7.694 8.338 16.687 1.00 0.00 WT1 O ATOM 572 H1 TIP3W3196 7.323 8.081 17.508 1.00 0.00 WT1 H ATOM 573 H2 TIP3W3196 6.991 8.476 16.072 1.00 0.00 WT1 H ATOM 574 OH2 TIP3W3218 11.912 13.212 19.726 1.00 0.00 WT1 O ATOM 575 H1 TIP3W3218 12.854 13.225 19.881 1.00 0.00 WT1 H ATOM 576 H2 TIP3W3218 11.504 12.764 20.555 1.00 0.00 WT1 H ATOM 577 OH2 TIP3W3223 5.115 19.820 22.632 1.00 0.00 WT1 O ATOM 578 H1 TIP3W3223 4.270 19.752 22.092 1.00 0.00 WT1 H ATOM 579 H2 TIP3W3223 5.800 19.585 21.996 1.00 0.00 WT1 H ATOM 580 OH2 TIP3W3303 14.170 23.047 20.478 1.00 0.00 WT1 O ATOM 581 H1 TIP3W3303 15.015 22.883 20.902 1.00 0.00 WT1 H ATOM 582 H2 TIP3W3303 13.757 22.177 20.579 1.00 0.00 WT1 H ATOM 583 OH2 TIP3W3304 13.163 20.489 20.636 1.00 0.00 WT1 O ATOM 584 H1 TIP3W3304 12.450 20.171 20.104 1.00 0.00 WT1 H ATOM 585 H2 TIP3W3304 13.220 19.875 21.393 1.00 0.00 WT1 H ATOM 586 OH2 TIP3W3447 11.316 2.273 7.956 1.00 0.00 WT1 O ATOM 587 H1 TIP3W3447 11.391 1.358 8.151 1.00 0.00 WT1 H ATOM 588 H2 TIP3W3447 10.423 2.479 8.181 1.00 0.00 WT1 H ATOM 589 OH2 TIP3W3545 10.407 6.649 8.888 1.00 0.00 WT1 O ATOM 590 H1 TIP3W3545 9.810 7.215 9.386 1.00 0.00 WT1 H ATOM 591 H2 TIP3W3545 11.077 6.417 9.547 1.00 0.00 WT1 H ATOM 592 OH2 TIP3W3596 7.574 19.420 4.717 1.00 0.00 WT1 O ATOM 593 H1 TIP3W3596 7.704 19.335 3.679 1.00 0.00 WT1 H ATOM 594 H2 TIP3W3596 7.970 20.255 4.957 1.00 0.00 WT1 H ATOM 595 OH2 TIP3W3650 12.254 19.676 2.229 1.00 0.00 WT1 O ATOM 596 H1 TIP3W3650 12.678 20.538 2.358 1.00 0.00 WT1 H ATOM 597 H2 TIP3W3650 12.115 19.535 1.250 1.00 0.00 WT1 H ATOM 598 OH2 TIP3W3660 14.036 7.730 6.644 1.00 0.00 WT1 O ATOM 599 H1 TIP3W3660 14.358 7.138 7.346 1.00 0.00 WT1 H ATOM 600 H2 TIP3W3660 13.886 8.589 7.123 1.00 0.00 WT1 H ATOM 601 OH2 TIP3W3977 8.900 7.310 11.290 1.00 0.00 WT1 O ATOM 602 H1 TIP3W3977 8.739 6.706 12.078 1.00 0.00 WT1 H ATOM 603 H2 TIP3W3977 9.555 8.003 11.531 1.00 0.00 WT1 H ATOM 604 OH2 TIP3W4012 9.495 14.416 1.979 1.00 0.00 WT1 O ATOM 605 H1 TIP3W4012 10.354 14.203 1.548 1.00 0.00 WT1 H ATOM 606 H2 TIP3W4012 9.165 13.566 2.099 1.00 0.00 WT1 H ATOM 607 OH2 TIP3W4036 13.605 5.353 19.280 1.00 0.00 WT1 O ATOM 608 H1 TIP3W4036 13.658 4.527 18.812 1.00 0.00 WT1 H ATOM 609 H2 TIP3W4036 12.688 5.367 19.516 1.00 0.00 WT1 H ATOM 610 OH2 TIP3W4074 7.334 17.973 7.090 1.00 0.00 WT1 O ATOM 611 H1 TIP3W4074 7.571 18.390 6.200 1.00 0.00 WT1 H ATOM 612 H2 TIP3W4074 6.533 17.444 6.885 1.00 0.00 WT1 H ATOM 613 OH2 TIP3W4077 13.912 11.040 17.383 1.00 0.00 WT1 O ATOM 614 H1 TIP3W4077 13.913 10.932 16.423 1.00 0.00 WT1 H ATOM 615 H2 TIP3W4077 13.612 11.935 17.518 1.00 0.00 WT1 H ATOM 616 OH2 TIP3W4501 14.682 11.334 14.388 1.00 0.00 WT1 O ATOM 617 H1 TIP3W4501 15.236 11.941 13.876 1.00 0.00 WT1 H ATOM 618 H2 TIP3W4501 14.266 10.683 13.763 1.00 0.00 WT1 H ATOM 619 OH2 TIP3W4515 12.414 9.004 13.909 1.00 0.00 WT1 O ATOM 620 H1 TIP3W4515 11.523 8.931 14.184 1.00 0.00 WT1 H ATOM 621 H2 TIP3W4515 12.375 9.766 13.286 1.00 0.00 WT1 H ATOM 622 OH2 TIP3W4809 15.898 3.293 1.648 1.00 0.00 WT1 O ATOM 623 H1 TIP3W4809 15.837 3.977 2.359 1.00 0.00 WT1 H ATOM 624 H2 TIP3W4809 15.065 2.796 1.789 1.00 0.00 WT1 H ATOM 625 OH2 TIP3W6240 3.080 0.949 11.788 1.00 0.00 WT1 O ATOM 626 H1 TIP3W6240 3.690 0.500 11.172 1.00 0.00 WT1 H ATOM 627 H2 TIP3W6240 2.196 0.556 11.641 1.00 0.00 WT1 H ATOM 628 OH2 TIP3W6671 0.897 12.813 20.940 1.00 0.00 WT1 O ATOM 629 H1 TIP3W6671 1.234 13.577 21.489 1.00 0.00 WT1 H ATOM 630 H2 TIP3W6671 1.110 12.083 21.442 1.00 0.00 WT1 H ATOM 631 OH2 TIP3W7222 6.255 9.802 0.364 1.00 0.00 WT1 O ATOM 632 H1 TIP3W7222 6.954 9.121 0.671 1.00 0.00 WT1 H ATOM 633 H2 TIP3W7222 5.459 9.264 0.196 1.00 0.00 WT1 H ATOM 634 OH2 TIP3W7479 6.140 3.669 3.704 1.00 0.00 WT1 O ATOM 635 H1 TIP3W7479 6.732 3.837 2.949 1.00 0.00 WT1 H ATOM 636 H2 TIP3W7479 6.807 3.408 4.378 1.00 0.00 WT1 H ATOM 637 OH2 TIP3W7510 5.150 11.685 11.994 1.00 0.00 WT1 O ATOM 638 H1 TIP3W7510 5.312 12.641 12.020 1.00 0.00 WT1 H ATOM 639 H2 TIP3W7510 5.614 11.405 12.778 1.00 0.00 WT1 H ATOM 640 OH2 TIP3W7563 5.196 19.304 15.315 1.00 0.00 WT1 O ATOM 641 H1 TIP3W7563 5.227 20.213 14.942 1.00 0.00 WT1 H ATOM 642 H2 TIP3W7563 5.252 18.720 14.569 1.00 0.00 WT1 H ATOM 643 OH2 TIP3W7630 2.179 13.464 7.177 1.00 0.00 WT1 O ATOM 644 H1 TIP3W7630 2.719 14.061 7.737 1.00 0.00 WT1 H ATOM 645 H2 TIP3W7630 1.640 13.021 7.843 1.00 0.00 WT1 H ATOM 646 OH2 TIP3W7631 1.926 21.439 17.027 1.00 0.00 WT1 O ATOM 647 H1 TIP3W7631 2.672 21.817 16.545 1.00 0.00 WT1 H ATOM 648 H2 TIP3W7631 2.398 20.912 17.662 1.00 0.00 WT1 H ATOM 649 OH2 TIP3W7707 0.688 2.781 7.114 1.00 0.00 WT1 O ATOM 650 H1 TIP3W7707 1.488 3.190 6.703 1.00 0.00 WT1 H ATOM 651 H2 TIP3W7707 0.053 3.429 6.930 1.00 0.00 WT1 H ATOM 652 OH2 TIP3W7985 0.449 7.366 9.140 1.00 0.00 WT1 O ATOM 653 H1 TIP3W7985 0.202 6.479 9.095 1.00 0.00 WT1 H ATOM 654 H2 TIP3W7985 0.796 7.563 8.256 1.00 0.00 WT1 H ATOM 655 OH2 TIP3W8023 0.913 12.320 0.937 1.00 0.00 WT1 O ATOM 656 H1 TIP3W8023 0.623 11.700 0.268 1.00 0.00 WT1 H ATOM 657 H2 TIP3W8023 1.290 11.784 1.628 1.00 0.00 WT1 H ATOM 658 OH2 TIP3W8029 7.889 16.997 14.360 1.00 0.00 WT1 O ATOM 659 H1 TIP3W8029 7.935 17.181 13.358 1.00 0.00 WT1 H ATOM 660 H2 TIP3W8029 8.602 17.562 14.734 1.00 0.00 WT1 H ATOM 661 OH2 TIP3W8046 3.230 22.882 11.736 1.00 0.00 WT1 O ATOM 662 H1 TIP3W8046 3.601 21.950 11.670 1.00 0.00 WT1 H ATOM 663 H2 TIP3W8046 2.861 22.992 10.853 1.00 0.00 WT1 H ATOM 664 OH2 TIP3W8064 4.620 22.335 7.130 1.00 0.00 WT1 O ATOM 665 H1 TIP3W8064 3.754 22.591 7.590 1.00 0.00 WT1 H ATOM 666 H2 TIP3W8064 5.178 22.349 7.907 1.00 0.00 WT1 H ATOM 667 OH2 TIP3W8068 1.124 22.962 13.514 1.00 0.00 WT1 O ATOM 668 H1 TIP3W8068 1.837 22.901 12.860 1.00 0.00 WT1 H ATOM 669 H2 TIP3W8068 0.685 23.799 13.310 1.00 0.00 WT1 H ATOM 670 OH2 TIP3W8364 8.561 10.924 16.881 1.00 0.00 WT1 O ATOM 671 H1 TIP3W8364 7.916 11.188 16.202 1.00 0.00 WT1 H ATOM 672 H2 TIP3W8364 8.309 10.008 17.123 1.00 0.00 WT1 H ATOM 673 OH2 TIP3W8403 4.751 19.009 2.814 1.00 0.00 WT1 O ATOM 674 H1 TIP3W8403 4.754 18.978 3.760 1.00 0.00 WT1 H ATOM 675 H2 TIP3W8403 5.300 18.306 2.612 1.00 0.00 WT1 H ATOM 676 OH2 TIP3W8411 3.406 0.117 14.493 1.00 0.00 WT1 O ATOM 677 H1 TIP3W8411 3.348 0.244 13.546 1.00 0.00 WT1 H ATOM 678 H2 TIP3W8411 4.378 0.190 14.724 1.00 0.00 WT1 H ATOM 679 OH2 TIP3W8425 2.278 3.922 1.200 1.00 0.00 WT1 O ATOM 680 H1 TIP3W8425 2.701 3.392 0.560 1.00 0.00 WT1 H ATOM 681 H2 TIP3W8425 1.556 3.406 1.415 1.00 0.00 WT1 H ATOM 682 OH2 TIP3W8441 6.246 21.216 13.564 1.00 0.00 WT1 O ATOM 683 H1 TIP3W8441 7.127 21.533 13.794 1.00 0.00 WT1 H ATOM 684 H2 TIP3W8441 5.802 22.075 13.455 1.00 0.00 WT1 H ATOM 685 OH2 TIP3W8466 5.348 15.459 5.988 1.00 0.00 WT1 O ATOM 686 H1 TIP3W8466 4.942 16.211 6.465 1.00 0.00 WT1 H ATOM 687 H2 TIP3W8466 4.964 14.679 6.422 1.00 0.00 WT1 H ATOM 688 OH2 TIP3W8468 1.312 13.577 13.829 1.00 0.00 WT1 O ATOM 689 H1 TIP3W8468 1.594 13.350 12.963 1.00 0.00 WT1 H ATOM 690 H2 TIP3W8468 0.905 14.443 13.634 1.00 0.00 WT1 H ATOM 691 OH2 TIP3W8491 10.395 21.375 22.397 1.00 0.00 WT1 O ATOM 692 H1 TIP3W8491 10.900 20.680 22.794 1.00 0.00 WT1 H ATOM 693 H2 TIP3W8491 10.682 22.154 22.828 1.00 0.00 WT1 H ATOM 694 OH2 TIP3W8528 6.013 16.085 3.326 1.00 0.00 WT1 O ATOM 695 H1 TIP3W8528 6.016 16.035 4.292 1.00 0.00 WT1 H ATOM 696 H2 TIP3W8528 5.249 15.516 3.046 1.00 0.00 WT1 H ATOM 697 OH2 TIP3W8534 2.184 22.110 9.500 1.00 0.00 WT1 O ATOM 698 H1 TIP3W8534 1.913 21.297 9.998 1.00 0.00 WT1 H ATOM 699 H2 TIP3W8534 1.389 22.233 8.964 1.00 0.00 WT1 H ATOM 700 OH2 TIP3W8536 3.207 13.979 17.772 1.00 0.00 WT1 O ATOM 701 H1 TIP3W8536 3.947 14.082 18.373 1.00 0.00 WT1 H ATOM 702 H2 TIP3W8536 2.585 14.685 17.921 1.00 0.00 WT1 H ATOM 703 OH2 TIP3W8548 13.639 16.098 5.269 1.00 0.00 WT1 O ATOM 704 H1 TIP3W8548 14.099 15.394 4.872 1.00 0.00 WT1 H ATOM 705 H2 TIP3W8548 12.755 15.724 5.343 1.00 0.00 WT1 H ATOM 706 OH2 TIP3W8556 1.981 16.635 18.663 1.00 0.00 WT1 O ATOM 707 H1 TIP3W8556 1.921 17.181 19.529 1.00 0.00 WT1 H ATOM 708 H2 TIP3W8556 2.656 17.117 18.156 1.00 0.00 WT1 H ATOM 709 OH2 TIP3W8760 13.457 20.491 6.545 1.00 0.00 WT1 O ATOM 710 H1 TIP3W8760 13.544 19.713 6.959 1.00 0.00 WT1 H ATOM 711 H2 TIP3W8760 13.199 20.170 5.601 1.00 0.00 WT1 H ATOM 712 OH2 TIP3W8780 3.438 8.099 0.316 1.00 0.00 WT1 O ATOM 713 H1 TIP3W8780 2.547 7.847 0.577 1.00 0.00 WT1 H ATOM 714 H2 TIP3W8780 3.889 7.775 1.093 1.00 0.00 WT1 H ATOM 715 OH2 TIP3W8801 9.016 15.690 9.485 1.00 0.00 WT1 O ATOM 716 H1 TIP3W8801 9.158 14.769 9.701 1.00 0.00 WT1 H ATOM 717 H2 TIP3W8801 8.537 15.554 8.652 1.00 0.00 WT1 H ATOM 718 OH2 TIP3W8822 1.562 6.536 12.239 1.00 0.00 WT1 O ATOM 719 H1 TIP3W8822 0.960 7.250 12.049 1.00 0.00 WT1 H ATOM 720 H2 TIP3W8822 1.197 5.827 11.553 1.00 0.00 WT1 H ATOM 721 OH2 TIP3W8829 1.314 9.385 7.173 1.00 0.00 WT1 O ATOM 722 H1 TIP3W8829 1.333 8.706 6.444 1.00 0.00 WT1 H ATOM 723 H2 TIP3W8829 2.056 9.953 6.980 1.00 0.00 WT1 H ATOM 724 OH2 TIP3W8843 7.572 0.420 3.478 1.00 0.00 WT1 O ATOM 725 H1 TIP3W8843 7.636 0.339 2.503 1.00 0.00 WT1 H ATOM 726 H2 TIP3W8843 6.628 0.234 3.530 1.00 0.00 WT1 H ATOM 727 OH2 TIP3W8845 1.133 7.080 5.078 1.00 0.00 WT1 O ATOM 728 H1 TIP3W8845 1.201 7.102 4.137 1.00 0.00 WT1 H ATOM 729 H2 TIP3W8845 0.358 6.549 5.302 1.00 0.00 WT1 H ATOM 730 OH2 TIP3W8865 11.515 22.342 4.827 1.00 0.00 WT1 O ATOM 731 H1 TIP3W8865 10.875 21.911 4.185 1.00 0.00 WT1 H ATOM 732 H2 TIP3W8865 11.205 21.919 5.694 1.00 0.00 WT1 H ATOM 733 OH2 TIP3W8869 5.279 5.755 11.457 1.00 0.00 WT1 O ATOM 734 H1 TIP3W8869 4.504 5.333 10.967 1.00 0.00 WT1 H ATOM 735 H2 TIP3W8869 5.564 4.986 12.019 1.00 0.00 WT1 H ATOM 736 OH2 TIP3W8887 8.890 21.041 16.070 1.00 0.00 WT1 O ATOM 737 H1 TIP3W8887 8.698 21.572 15.300 1.00 0.00 WT1 H ATOM 738 H2 TIP3W8887 9.800 21.340 16.244 1.00 0.00 WT1 H ATOM 739 OH2 TIP3W8895 6.000 11.283 22.324 1.00 0.00 WT1 O ATOM 740 H1 TIP3W8895 5.866 12.057 22.939 1.00 0.00 WT1 H ATOM 741 H2 TIP3W8895 5.863 11.634 21.452 1.00 0.00 WT1 H ATOM 742 OH2 TIP3W8905 7.834 14.408 7.527 1.00 0.00 WT1 O ATOM 743 H1 TIP3W8905 7.105 14.717 6.993 1.00 0.00 WT1 H ATOM 744 H2 TIP3W8905 8.194 13.714 6.926 1.00 0.00 WT1 H ATOM 745 OH2 TIP3W8931 5.667 11.812 19.542 1.00 0.00 WT1 O ATOM 746 H1 TIP3W8931 5.647 12.743 19.497 1.00 0.00 WT1 H ATOM 747 H2 TIP3W8931 5.889 11.629 18.618 1.00 0.00 WT1 H ATOM 748 OH2 TIP3W8932 12.997 18.576 15.207 1.00 0.00 WT1 O ATOM 749 H1 TIP3W8932 12.617 19.193 14.493 1.00 0.00 WT1 H ATOM 750 H2 TIP3W8932 13.582 19.163 15.737 1.00 0.00 WT1 H ATOM 751 OH2 TIP3W8935 0.675 11.574 10.952 1.00 0.00 WT1 O ATOM 752 H1 TIP3W8935 1.597 11.546 10.574 1.00 0.00 WT1 H ATOM 753 H2 TIP3W8935 0.265 12.150 10.339 1.00 0.00 WT1 H ATOM 754 OH2 TIP3W8949 8.782 17.187 2.362 1.00 0.00 WT1 O ATOM 755 H1 TIP3W8949 8.004 16.786 2.797 1.00 0.00 WT1 H ATOM 756 H2 TIP3W8949 9.140 16.422 1.970 1.00 0.00 WT1 H ATOM 757 OH2 TIP3W8956 2.113 6.516 21.893 1.00 0.00 WT1 O ATOM 758 H1 TIP3W8956 2.170 5.576 22.160 1.00 0.00 WT1 H ATOM 759 H2 TIP3W8956 2.446 6.949 22.707 1.00 0.00 WT1 H ATOM 760 OH2 TIP3W8977 2.583 16.123 12.046 1.00 0.00 WT1 O ATOM 761 H1 TIP3W8977 3.491 16.508 12.059 1.00 0.00 WT1 H ATOM 762 H2 TIP3W8977 2.312 16.312 12.887 1.00 0.00 WT1 H ATOM 763 OH2 TIP3W8988 2.246 20.883 4.995 1.00 0.00 WT1 O ATOM 764 H1 TIP3W8988 1.611 20.097 4.885 1.00 0.00 WT1 H ATOM 765 H2 TIP3W8988 3.079 20.473 5.195 1.00 0.00 WT1 H ATOM 766 OH2 TIP3W9082 8.156 17.564 11.520 1.00 0.00 WT1 O ATOM 767 H1 TIP3W9082 8.355 18.345 10.921 1.00 0.00 WT1 H ATOM 768 H2 TIP3W9082 8.334 16.820 10.874 1.00 0.00 WT1 H ATOM 769 OH2 TIP3W9096 2.915 14.197 3.393 1.00 0.00 WT1 O ATOM 770 H1 TIP3W9096 2.155 14.414 3.916 1.00 0.00 WT1 H ATOM 771 H2 TIP3W9096 2.719 13.333 3.011 1.00 0.00 WT1 H ATOM 772 OH2 TIP3W9226 8.578 0.832 6.351 1.00 0.00 WT1 O ATOM 773 H1 TIP3W9226 7.928 0.530 5.693 1.00 0.00 WT1 H ATOM 774 H2 TIP3W9226 8.563 1.801 6.335 1.00 0.00 WT1 H ATOM 775 OH2 TIP3W9241 7.287 10.172 13.815 1.00 0.00 WT1 O ATOM 776 H1 TIP3W9241 6.631 9.473 14.077 1.00 0.00 WT1 H ATOM 777 H2 TIP3W9241 8.119 9.669 13.852 1.00 0.00 WT1 H ATOM 778 OH2 TIP3W9250 3.347 10.487 19.814 1.00 0.00 WT1 O ATOM 779 H1 TIP3W9250 2.792 10.955 19.188 1.00 0.00 WT1 H ATOM 780 H2 TIP3W9250 4.264 10.639 19.456 1.00 0.00 WT1 H END