REMARK FINAL COORDINATES WRITTEN BY NAMD AT TIMESTEP 500 ATOM 1 H5T CYT A 8 44.110 48.254 30.741 1.00 0.00 SBOX ATOM 2 O5' CYT A 8 44.956 48.560 30.406 1.00 0.00 SBOX O ATOM 3 C5' CYT A 8 44.738 49.390 29.302 1.00 0.00 SBOX C ATOM 4 H5' CYT A 8 44.551 50.393 29.685 1.00 0.00 SBOX ATOM 5 H5'' CYT A 8 43.829 49.059 28.801 1.00 0.00 SBOX ATOM 6 C4' CYT A 8 45.870 49.265 28.323 1.00 0.00 SBOX C ATOM 7 H4' CYT A 8 45.770 50.018 27.541 1.00 0.00 SBOX ATOM 8 O4' CYT A 8 47.132 49.311 28.968 1.00 0.00 SBOX O ATOM 9 C1' CYT A 8 48.082 48.678 28.233 1.00 0.00 SBOX C ATOM 10 H1' CYT A 8 48.707 49.361 27.658 1.00 0.00 SBOX ATOM 11 N1 CYT A 8 48.952 47.839 29.150 1.00 0.00 SBOX N ATOM 12 C6 CYT A 8 48.438 46.940 30.061 1.00 0.00 SBOX C ATOM 13 H6 CYT A 8 47.362 46.857 30.104 1.00 0.00 SBOX ATOM 14 C5 CYT A 8 49.229 46.298 30.833 1.00 0.00 SBOX C ATOM 15 H5 CYT A 8 48.730 45.606 31.495 1.00 0.00 SBOX ATOM 16 C4 CYT A 8 50.624 46.532 30.697 1.00 0.00 SBOX C ATOM 17 N4 CYT A 8 51.459 45.742 31.244 1.00 0.00 SBOX N ATOM 18 H41 CYT A 8 52.389 45.936 30.902 1.00 0.00 SBOX ATOM 19 H42 CYT A 8 51.184 44.853 31.636 1.00 0.00 SBOX ATOM 20 N3 CYT A 8 51.142 47.374 29.893 1.00 0.00 SBOX N ATOM 21 C2 CYT A 8 50.341 48.064 29.112 1.00 0.00 SBOX C ATOM 22 O2 CYT A 8 50.843 48.740 28.219 1.00 0.00 SBOX O ATOM 23 C3' CYT A 8 45.795 47.898 27.680 1.00 0.00 SBOX C ATOM 24 H3' CYT A 8 45.546 47.127 28.408 1.00 0.00 SBOX ATOM 25 C2' CYT A 8 47.247 47.750 27.261 1.00 0.00 SBOX C ATOM 26 H2'' CYT A 8 47.549 46.727 27.484 1.00 0.00 SBOX ATOM 27 O2' CYT A 8 47.526 48.191 25.926 1.00 0.00 SBOX O ATOM 28 H2' CYT A 8 46.784 48.266 25.322 1.00 0.00 SBOX ATOM 29 O3' CYT A 8 44.898 47.864 26.594 1.00 0.00 SBOX O ATOM 30 P ADE A 9 44.335 46.486 26.070 1.00 0.00 SBOX P ATOM 31 O1P ADE A 9 45.442 45.610 25.598 1.00 0.00 SBOX ATOM 32 O2P ADE A 9 43.492 45.985 27.105 1.00 0.00 SBOX ATOM 33 O5' ADE A 9 43.387 46.824 24.801 1.00 0.00 SBOX O ATOM 34 C5' ADE A 9 43.920 46.721 23.470 1.00 0.00 SBOX C ATOM 35 H5' ADE A 9 44.153 45.688 23.212 1.00 0.00 SBOX ATOM 36 H5'' ADE A 9 44.796 47.369 23.443 1.00 0.00 SBOX ATOM 37 C4' ADE A 9 43.040 47.255 22.313 1.00 0.00 SBOX C ATOM 38 H4' ADE A 9 43.581 47.211 21.367 1.00 0.00 SBOX ATOM 39 O4' ADE A 9 41.918 46.430 22.294 1.00 0.00 SBOX O ATOM 40 C1' ADE A 9 40.833 47.159 22.850 1.00 0.00 SBOX C ATOM 41 H1' ADE A 9 40.075 47.334 22.087 1.00 0.00 SBOX ATOM 42 N9 ADE A 9 40.172 46.240 23.874 1.00 0.00 SBOX N ATOM 43 C8 ADE A 9 40.278 46.261 25.209 1.00 0.00 SBOX C ATOM 44 H8 ADE A 9 40.994 46.911 25.689 1.00 0.00 SBOX ATOM 45 N7 ADE A 9 39.424 45.424 25.790 1.00 0.00 SBOX N ATOM 46 C5 ADE A 9 38.923 44.718 24.681 1.00 0.00 SBOX C ATOM 47 C6 ADE A 9 38.226 43.458 24.569 1.00 0.00 SBOX C ATOM 48 N6 ADE A 9 37.781 42.704 25.578 1.00 0.00 SBOX N ATOM 49 H61 ADE A 9 37.170 41.921 25.394 1.00 0.00 SBOX ATOM 50 H62 ADE A 9 38.232 42.827 26.474 1.00 0.00 SBOX ATOM 51 N1 ADE A 9 37.635 43.108 23.480 1.00 0.00 SBOX N ATOM 52 C2 ADE A 9 38.021 43.779 22.365 1.00 0.00 SBOX C ATOM 53 H2 ADE A 9 37.693 43.303 21.453 1.00 0.00 SBOX ATOM 54 N3 ADE A 9 38.949 44.776 22.273 1.00 0.00 SBOX N ATOM 55 C4 ADE A 9 39.367 45.201 23.519 1.00 0.00 SBOX C ATOM 56 C3' ADE A 9 42.583 48.684 22.412 1.00 0.00 SBOX C ATOM 57 H3' ADE A 9 43.325 49.379 22.804 1.00 0.00 SBOX ATOM 58 C2' ADE A 9 41.348 48.518 23.302 1.00 0.00 SBOX C ATOM 59 H2'' ADE A 9 41.695 48.498 24.335 1.00 0.00 SBOX ATOM 60 O2' ADE A 9 40.349 49.477 23.256 1.00 0.00 SBOX O ATOM 61 H2' ADE A 9 40.519 50.054 22.508 1.00 0.00 SBOX ATOM 62 O3' ADE A 9 42.127 49.059 21.109 1.00 0.00 SBOX O ATOM 63 P ADE A 10 42.337 50.530 20.600 1.00 0.00 SBOX P ATOM 64 O1P ADE A 10 43.607 51.190 21.008 1.00 0.00 SBOX ATOM 65 O2P ADE A 10 42.002 50.622 19.170 1.00 0.00 SBOX ATOM 66 O5' ADE A 10 41.187 51.347 21.302 1.00 0.00 SBOX O ATOM 67 C5' ADE A 10 39.746 51.261 20.940 1.00 0.00 SBOX C ATOM 68 H5' ADE A 10 39.441 50.237 21.157 1.00 0.00 SBOX ATOM 69 H5'' ADE A 10 39.450 51.507 19.921 1.00 0.00 SBOX ATOM 70 C4' ADE A 10 38.832 52.182 21.749 1.00 0.00 SBOX C ATOM 71 H4' ADE A 10 37.830 51.852 21.476 1.00 0.00 SBOX ATOM 72 O4' ADE A 10 39.076 52.142 23.145 1.00 0.00 SBOX O ATOM 73 C1' ADE A 10 39.103 53.526 23.657 1.00 0.00 SBOX C ATOM 74 H1' ADE A 10 38.393 53.491 24.483 1.00 0.00 SBOX ATOM 75 N9 ADE A 10 40.381 53.810 24.260 1.00 0.00 SBOX N ATOM 76 C8 ADE A 10 41.465 52.987 24.313 1.00 0.00 SBOX C ATOM 77 H8 ADE A 10 41.559 52.076 23.741 1.00 0.00 SBOX ATOM 78 N7 ADE A 10 42.424 53.527 25.042 1.00 0.00 SBOX N ATOM 79 C5 ADE A 10 41.904 54.692 25.604 1.00 0.00 SBOX C ATOM 80 C6 ADE A 10 42.400 55.719 26.408 1.00 0.00 SBOX C ATOM 81 N6 ADE A 10 43.609 55.891 26.857 1.00 0.00 SBOX N ATOM 82 H61 ADE A 10 43.784 56.655 27.494 1.00 0.00 SBOX ATOM 83 H62 ADE A 10 44.337 55.260 26.555 1.00 0.00 SBOX ATOM 84 N1 ADE A 10 41.567 56.726 26.763 1.00 0.00 SBOX N ATOM 85 C2 ADE A 10 40.363 56.741 26.257 1.00 0.00 SBOX C ATOM 86 H2 ADE A 10 39.839 57.648 26.519 1.00 0.00 SBOX ATOM 87 N3 ADE A 10 39.820 55.949 25.370 1.00 0.00 SBOX N ATOM 88 C4 ADE A 10 40.626 54.912 25.084 1.00 0.00 SBOX C ATOM 89 C3' ADE A 10 39.030 53.612 21.321 1.00 0.00 SBOX C ATOM 90 H3' ADE A 10 40.075 53.663 21.016 1.00 0.00 SBOX ATOM 91 C2' ADE A 10 38.676 54.482 22.531 1.00 0.00 SBOX C ATOM 92 H2'' ADE A 10 39.230 55.420 22.520 1.00 0.00 SBOX ATOM 93 O2' ADE A 10 37.211 54.619 22.689 1.00 0.00 SBOX O ATOM 94 H2' ADE A 10 37.157 55.216 23.438 1.00 0.00 SBOX ATOM 95 O3' ADE A 10 38.153 53.836 20.274 1.00 0.00 SBOX O ATOM 96 P GUA A 11 38.411 54.903 19.215 1.00 0.00 SBOX P ATOM 97 O1P GUA A 11 39.553 54.541 18.402 1.00 0.00 SBOX ATOM 98 O2P GUA A 11 37.107 55.068 18.502 1.00 0.00 SBOX ATOM 99 O5' GUA A 11 38.774 56.272 19.968 1.00 0.00 SBOX O ATOM 100 C5' GUA A 11 37.772 57.068 20.603 1.00 0.00 SBOX C ATOM 101 H5' GUA A 11 37.395 56.504 21.456 1.00 0.00 SBOX ATOM 102 H5'' GUA A 11 36.915 57.326 19.979 1.00 0.00 SBOX ATOM 103 C4' GUA A 11 38.295 58.323 21.199 1.00 0.00 SBOX C ATOM 104 H4' GUA A 11 37.477 59.003 21.439 1.00 0.00 SBOX ATOM 105 O4' GUA A 11 38.986 58.006 22.465 1.00 0.00 SBOX O ATOM 106 C1' GUA A 11 40.221 58.743 22.552 1.00 0.00 SBOX C ATOM 107 H1' GUA A 11 40.365 59.237 23.513 1.00 0.00 SBOX ATOM 108 N9 GUA A 11 41.435 57.857 22.339 1.00 0.00 SBOX N ATOM 109 C8 GUA A 11 41.731 56.899 21.372 1.00 0.00 SBOX C ATOM 110 H8 GUA A 11 41.156 56.763 20.469 1.00 0.00 SBOX ATOM 111 N7 GUA A 11 42.834 56.319 21.593 1.00 0.00 SBOX N ATOM 112 C5 GUA A 11 43.370 56.916 22.741 1.00 0.00 SBOX C ATOM 113 C6 GUA A 11 44.488 56.609 23.545 1.00 0.00 SBOX C ATOM 114 O6 GUA A 11 45.218 55.623 23.504 1.00 0.00 SBOX O ATOM 115 N1 GUA A 11 44.728 57.533 24.509 1.00 0.00 SBOX N ATOM 116 H1 GUA A 11 45.546 57.438 25.094 1.00 0.00 SBOX ATOM 117 C2 GUA A 11 43.952 58.588 24.729 1.00 0.00 SBOX C ATOM 118 N2 GUA A 11 44.330 59.427 25.670 1.00 0.00 SBOX N ATOM 119 H21 GUA A 11 44.970 59.069 26.365 1.00 0.00 SBOX ATOM 120 H22 GUA A 11 43.753 60.237 25.844 1.00 0.00 SBOX ATOM 121 N3 GUA A 11 42.820 58.906 24.102 1.00 0.00 SBOX N ATOM 122 C4 GUA A 11 42.569 58.045 23.068 1.00 0.00 SBOX C ATOM 123 C3' GUA A 11 39.317 59.047 20.386 1.00 0.00 SBOX C ATOM 124 H3' GUA A 11 39.930 58.336 19.832 1.00 0.00 SBOX ATOM 125 C2' GUA A 11 40.082 59.825 21.462 1.00 0.00 SBOX C ATOM 126 H2'' GUA A 11 41.054 60.139 21.081 1.00 0.00 SBOX ATOM 127 O2' GUA A 11 39.404 60.958 22.040 1.00 0.00 SBOX O ATOM 128 H2' GUA A 11 39.944 61.215 22.790 1.00 0.00 SBOX ATOM 129 O3' GUA A 11 38.690 59.924 19.535 1.00 0.00 SBOX O ATOM 130 P ADE A 12 39.388 60.491 18.191 1.00 0.00 SBOX P ATOM 131 O1P ADE A 12 40.076 59.317 17.606 1.00 0.00 SBOX ATOM 132 O2P ADE A 12 38.401 61.254 17.376 1.00 0.00 SBOX ATOM 133 O5' ADE A 12 40.536 61.562 18.605 1.00 0.00 SBOX O ATOM 134 C5' ADE A 12 40.320 62.883 19.240 1.00 0.00 SBOX C ATOM 135 H5' ADE A 12 39.538 62.894 20.000 1.00 0.00 SBOX ATOM 136 H5'' ADE A 12 39.905 63.573 18.506 1.00 0.00 SBOX ATOM 137 C4' ADE A 12 41.682 63.471 19.694 1.00 0.00 SBOX C ATOM 138 H4' ADE A 12 41.416 64.411 20.177 1.00 0.00 SBOX ATOM 139 O4' ADE A 12 42.274 62.571 20.702 1.00 0.00 SBOX O ATOM 140 C1' ADE A 12 43.664 62.551 20.621 1.00 0.00 SBOX C ATOM 141 H1' ADE A 12 44.077 62.966 21.540 1.00 0.00 SBOX ATOM 142 N9 ADE A 12 44.018 61.100 20.476 1.00 0.00 SBOX N ATOM 143 C8 ADE A 12 43.787 60.209 19.485 1.00 0.00 SBOX C ATOM 144 H8 ADE A 12 43.119 60.356 18.649 1.00 0.00 SBOX ATOM 145 N7 ADE A 12 44.341 59.031 19.610 1.00 0.00 SBOX N ATOM 146 C5 ADE A 12 45.142 59.239 20.765 1.00 0.00 SBOX C ATOM 147 C6 ADE A 12 46.086 58.473 21.554 1.00 0.00 SBOX C ATOM 148 N6 ADE A 12 46.656 57.289 21.348 1.00 0.00 SBOX N ATOM 149 H61 ADE A 12 47.231 56.873 22.068 1.00 0.00 SBOX ATOM 150 H62 ADE A 12 46.581 56.864 20.435 1.00 0.00 SBOX ATOM 151 N1 ADE A 12 46.761 59.053 22.563 1.00 0.00 SBOX N ATOM 152 C2 ADE A 12 46.394 60.256 22.922 1.00 0.00 SBOX C ATOM 153 H2 ADE A 12 47.045 60.689 23.667 1.00 0.00 SBOX ATOM 154 N3 ADE A 12 45.530 61.063 22.331 1.00 0.00 SBOX N ATOM 155 C4 ADE A 12 44.933 60.497 21.249 1.00 0.00 SBOX C ATOM 156 C3' ADE A 12 42.754 63.768 18.654 1.00 0.00 SBOX C ATOM 157 H3' ADE A 12 42.803 62.915 17.978 1.00 0.00 SBOX ATOM 158 C2' ADE A 12 44.102 63.471 19.446 1.00 0.00 SBOX C ATOM 159 H2'' ADE A 12 44.793 62.922 18.806 1.00 0.00 SBOX ATOM 160 O2' ADE A 12 44.685 64.623 20.019 1.00 0.00 SBOX O ATOM 161 H2' ADE A 12 45.612 64.465 20.214 1.00 0.00 SBOX ATOM 162 O3' ADE A 12 42.746 65.010 17.886 1.00 0.00 SBOX O ATOM 163 P GUA A 13 42.149 64.787 16.438 1.00 0.00 SBOX P ATOM 164 O1P GUA A 13 42.762 63.638 15.693 1.00 0.00 SBOX ATOM 165 O2P GUA A 13 40.625 64.902 16.611 1.00 0.00 SBOX ATOM 166 O5' GUA A 13 42.731 66.139 15.743 1.00 0.00 SBOX O ATOM 167 C5' GUA A 13 43.599 66.092 14.615 1.00 0.00 SBOX C ATOM 168 H5' GUA A 13 43.225 65.524 13.763 1.00 0.00 SBOX ATOM 169 H5'' GUA A 13 44.527 65.627 14.948 1.00 0.00 SBOX ATOM 170 C4' GUA A 13 43.724 67.617 14.175 1.00 0.00 SBOX C ATOM 171 H4' GUA A 13 42.745 67.919 13.802 1.00 0.00 SBOX ATOM 172 O4' GUA A 13 44.000 68.502 15.239 1.00 0.00 SBOX O ATOM 173 C1' GUA A 13 45.174 69.235 14.875 1.00 0.00 SBOX C ATOM 174 H1' GUA A 13 45.076 70.279 15.171 1.00 0.00 SBOX ATOM 175 N9 GUA A 13 46.418 68.695 15.496 1.00 0.00 SBOX N ATOM 176 C8 GUA A 13 46.883 67.372 15.553 1.00 0.00 SBOX C ATOM 177 H8 GUA A 13 46.175 66.581 15.356 1.00 0.00 SBOX ATOM 178 N7 GUA A 13 48.123 67.361 15.988 1.00 0.00 SBOX N ATOM 179 C5 GUA A 13 48.459 68.720 16.095 1.00 0.00 SBOX C ATOM 180 C6 GUA A 13 49.617 69.347 16.689 1.00 0.00 SBOX C ATOM 181 O6 GUA A 13 50.593 68.890 17.247 1.00 0.00 SBOX O ATOM 182 N1 GUA A 13 49.520 70.702 16.687 1.00 0.00 SBOX N ATOM 183 H1 GUA A 13 50.338 71.151 17.076 1.00 0.00 SBOX ATOM 184 C2 GUA A 13 48.484 71.415 16.196 1.00 0.00 SBOX C ATOM 185 N2 GUA A 13 48.556 72.697 16.380 1.00 0.00 SBOX N ATOM 186 H21 GUA A 13 49.321 73.033 16.948 1.00 0.00 SBOX ATOM 187 H22 GUA A 13 47.710 73.247 16.330 1.00 0.00 SBOX ATOM 188 N3 GUA A 13 47.349 70.911 15.790 1.00 0.00 SBOX N ATOM 189 C4 GUA A 13 47.445 69.572 15.731 1.00 0.00 SBOX C ATOM 190 C3' GUA A 13 44.684 67.850 12.985 1.00 0.00 SBOX C ATOM 191 H3' GUA A 13 45.461 67.101 13.137 1.00 0.00 SBOX ATOM 192 C2' GUA A 13 45.298 69.236 13.350 1.00 0.00 SBOX C ATOM 193 H2'' GUA A 13 46.347 69.267 13.054 1.00 0.00 SBOX ATOM 194 O2' GUA A 13 44.605 70.341 12.753 1.00 0.00 SBOX O ATOM 195 H2' GUA A 13 44.720 70.442 11.805 1.00 0.00 SBOX ATOM 196 O3' GUA A 13 44.033 67.769 11.715 1.00 0.00 SBOX O ATOM 197 P ADE A 14 44.064 66.426 10.843 1.00 0.00 SBOX P ATOM 198 O1P ADE A 14 45.116 65.537 11.261 1.00 0.00 SBOX ATOM 199 O2P ADE A 14 42.656 65.993 10.978 1.00 0.00 SBOX ATOM 200 O5' ADE A 14 44.362 66.970 9.347 1.00 0.00 SBOX O ATOM 201 C5' ADE A 14 45.694 67.419 8.970 1.00 0.00 SBOX C ATOM 202 H5' ADE A 14 46.416 66.625 8.780 1.00 0.00 SBOX ATOM 203 H5'' ADE A 14 46.168 67.949 9.796 1.00 0.00 SBOX ATOM 204 C4' ADE A 14 45.716 68.354 7.735 1.00 0.00 SBOX C ATOM 205 H4' ADE A 14 46.649 68.914 7.792 1.00 0.00 SBOX ATOM 206 O4' ADE A 14 45.635 67.575 6.513 1.00 0.00 SBOX O ATOM 207 C1' ADE A 14 44.563 68.023 5.819 1.00 0.00 SBOX C ATOM 208 H1' ADE A 14 44.721 67.836 4.757 1.00 0.00 SBOX ATOM 209 N9 ADE A 14 43.411 67.128 6.225 1.00 0.00 SBOX N ATOM 210 C8 ADE A 14 43.480 65.842 6.574 1.00 0.00 SBOX C ATOM 211 H8 ADE A 14 44.356 65.549 7.133 1.00 0.00 SBOX ATOM 212 N7 ADE A 14 42.377 65.171 6.423 1.00 0.00 SBOX N ATOM 213 C5 ADE A 14 41.532 66.101 5.774 1.00 0.00 SBOX C ATOM 214 C6 ADE A 14 40.294 66.064 5.102 1.00 0.00 SBOX C ATOM 215 N6 ADE A 14 39.391 65.172 5.126 1.00 0.00 SBOX N ATOM 216 H61 ADE A 14 38.665 65.392 4.460 1.00 0.00 SBOX ATOM 217 H62 ADE A 14 39.447 64.304 5.640 1.00 0.00 SBOX ATOM 218 N1 ADE A 14 39.837 67.139 4.394 1.00 0.00 SBOX N ATOM 219 C2 ADE A 14 40.658 68.185 4.381 1.00 0.00 SBOX C ATOM 220 H2 ADE A 14 40.321 68.955 3.702 1.00 0.00 SBOX ATOM 221 N3 ADE A 14 41.819 68.375 4.924 1.00 0.00 SBOX N ATOM 222 C4 ADE A 14 42.181 67.302 5.698 1.00 0.00 SBOX C ATOM 223 C3' ADE A 14 44.711 69.468 7.698 1.00 0.00 SBOX C ATOM 224 H3' ADE A 14 43.835 69.156 8.266 1.00 0.00 SBOX ATOM 225 C2' ADE A 14 44.333 69.476 6.172 1.00 0.00 SBOX C ATOM 226 H2'' ADE A 14 43.276 69.688 6.335 1.00 0.00 SBOX ATOM 227 O2' ADE A 14 44.990 70.409 5.275 1.00 0.00 SBOX O ATOM 228 H2' ADE A 14 45.941 70.318 5.364 1.00 0.00 SBOX ATOM 229 O3' ADE A 14 45.207 70.844 7.982 1.00 0.00 SBOX O ATOM 230 P GUA A 15 45.950 71.208 9.307 1.00 0.00 SBOX P ATOM 231 O1P GUA A 15 45.036 71.071 10.415 1.00 0.00 SBOX ATOM 232 O2P GUA A 15 47.225 70.505 9.370 1.00 0.00 SBOX ATOM 233 O5' GUA A 15 46.262 72.739 9.182 1.00 0.00 SBOX O ATOM 234 C5' GUA A 15 47.659 73.205 9.110 1.00 0.00 SBOX C ATOM 235 H5' GUA A 15 47.998 73.125 8.077 1.00 0.00 SBOX ATOM 236 H5'' GUA A 15 48.329 72.570 9.690 1.00 0.00 SBOX ATOM 237 C4' GUA A 15 47.718 74.594 9.742 1.00 0.00 SBOX C ATOM 238 H4' GUA A 15 47.063 75.172 9.091 1.00 0.00 SBOX ATOM 239 O4' GUA A 15 47.376 74.755 11.085 1.00 0.00 SBOX O ATOM 240 C1' GUA A 15 48.573 75.098 11.855 1.00 0.00 SBOX C ATOM 241 H1' GUA A 15 48.291 75.829 12.613 1.00 0.00 SBOX ATOM 242 N9 GUA A 15 49.222 73.981 12.516 1.00 0.00 SBOX N ATOM 243 C8 GUA A 15 48.872 72.626 12.392 1.00 0.00 SBOX C ATOM 244 H8 GUA A 15 48.112 72.340 11.680 1.00 0.00 SBOX ATOM 245 N7 GUA A 15 49.730 71.842 12.976 1.00 0.00 SBOX N ATOM 246 C5 GUA A 15 50.603 72.692 13.640 1.00 0.00 SBOX C ATOM 247 C6 GUA A 15 51.638 72.352 14.603 1.00 0.00 SBOX C ATOM 248 O6 GUA A 15 52.002 71.307 15.070 1.00 0.00 SBOX O ATOM 249 N1 GUA A 15 52.287 73.479 15.054 1.00 0.00 SBOX N ATOM 250 H1 GUA A 15 52.979 73.373 15.783 1.00 0.00 SBOX ATOM 251 C2 GUA A 15 52.016 74.710 14.663 1.00 0.00 SBOX C ATOM 252 N2 GUA A 15 52.760 75.683 15.204 1.00 0.00 SBOX N ATOM 253 H21 GUA A 15 53.416 75.464 15.940 1.00 0.00 SBOX ATOM 254 H22 GUA A 15 52.503 76.614 14.906 1.00 0.00 SBOX ATOM 255 N3 GUA A 15 50.971 75.114 13.971 1.00 0.00 SBOX N ATOM 256 C4 GUA A 15 50.260 74.051 13.416 1.00 0.00 SBOX C ATOM 257 C3' GUA A 15 49.157 75.147 9.632 1.00 0.00 SBOX C ATOM 258 H3' GUA A 15 49.826 74.288 9.675 1.00 0.00 SBOX ATOM 259 C2' GUA A 15 49.430 75.921 10.954 1.00 0.00 SBOX C ATOM 260 H2'' GUA A 15 50.483 75.879 11.232 1.00 0.00 SBOX ATOM 261 O2' GUA A 15 49.074 77.323 10.970 1.00 0.00 SBOX O ATOM 262 H2' GUA A 15 49.395 77.615 11.826 1.00 0.00 SBOX ATOM 263 O3' GUA A 15 49.414 75.868 8.511 1.00 0.00 SBOX O ATOM 264 P GUA A 16 50.907 76.151 7.982 1.00 0.00 SBOX P ATOM 265 O1P GUA A 16 51.571 74.841 7.749 1.00 0.00 SBOX ATOM 266 O2P GUA A 16 50.773 77.113 6.849 1.00 0.00 SBOX ATOM 267 O5' GUA A 16 51.765 76.964 9.082 1.00 0.00 SBOX O ATOM 268 C5' GUA A 16 53.088 76.841 9.023 1.00 0.00 SBOX C ATOM 269 H5' GUA A 16 53.360 77.464 8.171 1.00 0.00 SBOX ATOM 270 H5'' GUA A 16 53.497 75.847 8.840 1.00 0.00 SBOX ATOM 271 C4' GUA A 16 53.775 77.496 10.189 1.00 0.00 SBOX C ATOM 272 H4' GUA A 16 53.532 78.554 10.282 1.00 0.00 SBOX ATOM 273 O4' GUA A 16 53.278 76.937 11.424 1.00 0.00 SBOX O ATOM 274 C1' GUA A 16 54.357 76.658 12.333 1.00 0.00 SBOX C ATOM 275 H1' GUA A 16 54.291 77.194 13.279 1.00 0.00 SBOX ATOM 276 N9 GUA A 16 54.434 75.146 12.497 1.00 0.00 SBOX N ATOM 277 C8 GUA A 16 53.684 74.140 11.778 1.00 0.00 SBOX C ATOM 278 H8 GUA A 16 53.002 74.339 10.965 1.00 0.00 SBOX ATOM 279 N7 GUA A 16 53.946 72.907 12.180 1.00 0.00 SBOX N ATOM 280 C5 GUA A 16 54.967 73.113 13.186 1.00 0.00 SBOX C ATOM 281 C6 GUA A 16 55.630 72.116 13.965 1.00 0.00 SBOX C ATOM 282 O6 GUA A 16 55.413 70.892 14.069 1.00 0.00 SBOX O ATOM 283 N1 GUA A 16 56.646 72.688 14.764 1.00 0.00 SBOX N ATOM 284 H1 GUA A 16 57.103 72.046 15.397 1.00 0.00 SBOX ATOM 285 C2 GUA A 16 56.718 74.042 14.993 1.00 0.00 SBOX C ATOM 286 N2 GUA A 16 57.527 74.230 15.944 1.00 0.00 SBOX N ATOM 287 H21 GUA A 16 58.146 73.501 16.269 1.00 0.00 SBOX ATOM 288 H22 GUA A 16 57.757 75.158 16.270 1.00 0.00 SBOX ATOM 289 N3 GUA A 16 56.195 75.006 14.226 1.00 0.00 SBOX N ATOM 290 C4 GUA A 16 55.301 74.473 13.325 1.00 0.00 SBOX C ATOM 291 C3' GUA A 16 55.285 77.344 10.103 1.00 0.00 SBOX C ATOM 292 H3' GUA A 16 55.587 76.404 9.641 1.00 0.00 SBOX ATOM 293 C2' GUA A 16 55.592 77.206 11.606 1.00 0.00 SBOX C ATOM 294 H2'' GUA A 16 56.469 76.598 11.829 1.00 0.00 SBOX ATOM 295 O2' GUA A 16 55.876 78.477 12.114 1.00 0.00 SBOX O ATOM 296 H2' GUA A 16 56.389 78.457 12.925 1.00 0.00 SBOX ATOM 297 O3' GUA A 16 55.917 78.461 9.489 1.00 0.00 SBOX O ATOM 298 P URA A 17 57.277 78.095 8.704 1.00 0.00 SBOX P ATOM 299 O1P URA A 17 56.932 76.988 7.767 1.00 0.00 SBOX ATOM 300 O2P URA A 17 57.769 79.255 8.095 1.00 0.00 SBOX ATOM 301 O5' URA A 17 58.345 77.542 9.708 1.00 0.00 SBOX O ATOM 302 C5' URA A 17 58.961 78.401 10.599 1.00 0.00 SBOX C ATOM 303 H5' URA A 17 58.235 78.968 11.182 1.00 0.00 SBOX ATOM 304 H5'' URA A 17 59.712 79.041 10.135 1.00 0.00 SBOX ATOM 305 C4' URA A 17 59.758 77.608 11.493 1.00 0.00 SBOX C ATOM 306 H4' URA A 17 60.257 78.259 12.212 1.00 0.00 SBOX ATOM 307 O4' URA A 17 58.846 76.781 12.119 1.00 0.00 SBOX O ATOM 308 C1' URA A 17 59.532 75.569 12.655 1.00 0.00 SBOX C ATOM 309 H1' URA A 17 59.505 75.673 13.739 1.00 0.00 SBOX ATOM 310 N1 URA A 17 58.849 74.291 12.271 1.00 0.00 SBOX N ATOM 311 C6 URA A 17 57.882 74.317 11.257 1.00 0.00 SBOX C ATOM 312 H6 URA A 17 57.586 75.232 10.765 1.00 0.00 SBOX ATOM 313 C5 URA A 17 57.309 73.117 10.900 1.00 0.00 SBOX C ATOM 314 H5 URA A 17 56.565 73.027 10.122 1.00 0.00 SBOX ATOM 315 C4 URA A 17 57.764 71.859 11.464 1.00 0.00 SBOX C ATOM 316 O4 URA A 17 57.297 70.790 11.250 1.00 0.00 SBOX O ATOM 317 N3 URA A 17 58.757 72.001 12.378 1.00 0.00 SBOX N ATOM 318 H3 URA A 17 59.129 71.162 12.801 1.00 0.00 SBOX ATOM 319 C2 URA A 17 59.330 73.145 12.835 1.00 0.00 SBOX C ATOM 320 O2 URA A 17 60.171 73.089 13.618 1.00 0.00 SBOX O ATOM 321 C3' URA A 17 60.767 76.615 10.893 1.00 0.00 SBOX C ATOM 322 H3' URA A 17 60.411 76.305 9.911 1.00 0.00 SBOX ATOM 323 C2' URA A 17 60.899 75.606 12.134 1.00 0.00 SBOX C ATOM 324 H2'' URA A 17 61.323 74.635 11.879 1.00 0.00 SBOX ATOM 325 O2' URA A 17 61.743 76.190 13.156 1.00 0.00 SBOX O ATOM 326 H2' URA A 17 61.524 75.735 13.972 1.00 0.00 SBOX ATOM 327 O3' URA A 17 62.029 77.225 10.664 1.00 0.00 SBOX O ATOM 328 P GUA A 18 63.021 76.569 9.507 1.00 0.00 SBOX P ATOM 329 O1P GUA A 18 62.274 76.706 8.266 1.00 0.00 SBOX ATOM 330 O2P GUA A 18 64.373 77.229 9.507 1.00 0.00 SBOX ATOM 331 O5' GUA A 18 63.187 75.099 9.831 1.00 0.00 SBOX O ATOM 332 C5' GUA A 18 64.050 74.564 10.872 1.00 0.00 SBOX C ATOM 333 H5' GUA A 18 63.638 74.894 11.826 1.00 0.00 SBOX ATOM 334 H5'' GUA A 18 65.090 74.873 10.769 1.00 0.00 SBOX ATOM 335 C4' GUA A 18 63.847 73.013 10.894 1.00 0.00 SBOX C ATOM 336 H4' GUA A 18 64.635 72.715 11.585 1.00 0.00 SBOX ATOM 337 O4' GUA A 18 62.657 72.529 11.434 1.00 0.00 SBOX O ATOM 338 C1' GUA A 18 62.331 71.216 10.980 1.00 0.00 SBOX C ATOM 339 H1' GUA A 18 62.292 70.456 11.760 1.00 0.00 SBOX ATOM 340 N9 GUA A 18 61.113 71.431 10.200 1.00 0.00 SBOX N ATOM 341 C8 GUA A 18 60.731 72.459 9.338 1.00 0.00 SBOX C ATOM 342 H8 GUA A 18 61.333 73.356 9.318 1.00 0.00 SBOX ATOM 343 N7 GUA A 18 59.729 72.256 8.556 1.00 0.00 SBOX N ATOM 344 C5 GUA A 18 59.392 70.921 8.885 1.00 0.00 SBOX C ATOM 345 C6 GUA A 18 58.277 70.021 8.441 1.00 0.00 SBOX C ATOM 346 O6 GUA A 18 57.357 70.222 7.602 1.00 0.00 SBOX O ATOM 347 N1 GUA A 18 58.242 68.810 9.045 1.00 0.00 SBOX N ATOM 348 H1 GUA A 18 57.547 68.110 8.826 1.00 0.00 SBOX ATOM 349 C2 GUA A 18 59.193 68.440 9.943 1.00 0.00 SBOX C ATOM 350 N2 GUA A 18 59.075 67.191 10.321 1.00 0.00 SBOX N ATOM 351 H21 GUA A 18 58.277 66.731 9.907 1.00 0.00 SBOX ATOM 352 H22 GUA A 18 59.737 66.825 10.991 1.00 0.00 SBOX ATOM 353 N3 GUA A 18 60.218 69.155 10.376 1.00 0.00 SBOX N ATOM 354 C4 GUA A 18 60.260 70.419 9.851 1.00 0.00 SBOX C ATOM 355 C3' GUA A 18 64.235 72.280 9.585 1.00 0.00 SBOX C ATOM 356 H3' GUA A 18 63.824 72.722 8.677 1.00 0.00 SBOX ATOM 357 C2' GUA A 18 63.575 70.935 10.036 1.00 0.00 SBOX C ATOM 358 H2'' GUA A 18 63.215 70.424 9.143 1.00 0.00 SBOX ATOM 359 O2' GUA A 18 64.475 70.108 10.821 1.00 0.00 SBOX O ATOM 360 H2' GUA A 18 65.315 70.521 10.608 1.00 0.00 SBOX ATOM 361 O3' GUA A 18 65.620 72.100 9.468 1.00 0.00 SBOX O ATOM 362 P GUA A 19 66.534 72.741 8.294 1.00 0.00 SBOX P ATOM 363 O1P GUA A 19 65.767 72.990 7.084 1.00 0.00 SBOX ATOM 364 O2P GUA A 19 67.255 73.872 8.914 1.00 0.00 SBOX ATOM 365 O5' GUA A 19 67.605 71.590 8.011 1.00 0.00 SBOX O ATOM 366 C5' GUA A 19 67.475 70.577 6.957 1.00 0.00 SBOX C ATOM 367 H5' GUA A 19 68.403 70.336 6.438 1.00 0.00 SBOX ATOM 368 H5'' GUA A 19 66.744 70.980 6.256 1.00 0.00 SBOX ATOM 369 C4' GUA A 19 66.941 69.268 7.408 1.00 0.00 SBOX C ATOM 370 H4' GUA A 19 67.619 68.865 8.160 1.00 0.00 SBOX ATOM 371 O4' GUA A 19 65.657 69.483 7.992 1.00 0.00 SBOX O ATOM 372 C1' GUA A 19 64.715 68.494 7.589 1.00 0.00 SBOX C ATOM 373 H1' GUA A 19 64.268 68.111 8.507 1.00 0.00 SBOX ATOM 374 N9 GUA A 19 63.746 69.268 6.758 1.00 0.00 SBOX N ATOM 375 C8 GUA A 19 63.937 70.574 6.233 1.00 0.00 SBOX C ATOM 376 H8 GUA A 19 64.871 71.113 6.282 1.00 0.00 SBOX ATOM 377 N7 GUA A 19 62.864 71.112 5.916 1.00 0.00 SBOX N ATOM 378 C5 GUA A 19 61.866 70.151 6.031 1.00 0.00 SBOX C ATOM 379 C6 GUA A 19 60.472 70.000 5.741 1.00 0.00 SBOX C ATOM 380 O6 GUA A 19 59.787 70.730 5.076 1.00 0.00 SBOX O ATOM 381 N1 GUA A 19 59.873 68.845 6.289 1.00 0.00 SBOX N ATOM 382 H1 GUA A 19 58.879 68.755 6.139 1.00 0.00 SBOX ATOM 383 C2 GUA A 19 60.642 67.907 6.851 1.00 0.00 SBOX C ATOM 384 N2 GUA A 19 59.954 66.854 7.220 1.00 0.00 SBOX N ATOM 385 H21 GUA A 19 58.955 66.713 7.195 1.00 0.00 SBOX ATOM 386 H22 GUA A 19 60.497 66.063 7.538 1.00 0.00 SBOX ATOM 387 N3 GUA A 19 61.918 67.908 7.129 1.00 0.00 SBOX N ATOM 388 C4 GUA A 19 62.431 69.038 6.662 1.00 0.00 SBOX C ATOM 389 C3' GUA A 19 66.646 68.249 6.249 1.00 0.00 SBOX C ATOM 390 H3' GUA A 19 66.414 68.853 5.372 1.00 0.00 SBOX ATOM 391 C2' GUA A 19 65.476 67.429 6.806 1.00 0.00 SBOX C ATOM 392 H2'' GUA A 19 64.884 66.999 5.997 1.00 0.00 SBOX ATOM 393 O2' GUA A 19 65.949 66.420 7.731 1.00 0.00 SBOX O ATOM 394 H2' GUA A 19 66.498 65.764 7.296 1.00 0.00 SBOX ATOM 395 O3' GUA A 19 67.765 67.464 5.911 1.00 0.00 SBOX O ATOM 396 P ADE A 20 67.742 66.342 4.804 1.00 0.00 SBOX P ATOM 397 O1P ADE A 20 66.693 66.543 3.770 1.00 0.00 SBOX ATOM 398 O2P ADE A 20 69.155 66.184 4.369 1.00 0.00 SBOX ATOM 399 O5' ADE A 20 67.300 65.091 5.678 1.00 0.00 SBOX O ATOM 400 C5' ADE A 20 68.151 64.466 6.715 1.00 0.00 SBOX C ATOM 401 H5' ADE A 20 68.209 65.119 7.586 1.00 0.00 SBOX ATOM 402 H5'' ADE A 20 69.176 64.272 6.399 1.00 0.00 SBOX ATOM 403 C4' ADE A 20 67.410 63.170 7.093 1.00 0.00 SBOX C ATOM 404 H4' ADE A 20 67.898 62.776 7.985 1.00 0.00 SBOX ATOM 405 O4' ADE A 20 65.998 63.388 7.349 1.00 0.00 SBOX O ATOM 406 C1' ADE A 20 65.250 62.413 6.778 1.00 0.00 SBOX C ATOM 407 H1' ADE A 20 64.949 61.813 7.637 1.00 0.00 SBOX ATOM 408 N9 ADE A 20 64.162 63.045 6.000 1.00 0.00 SBOX N ATOM 409 C8 ADE A 20 64.134 64.107 5.221 1.00 0.00 SBOX C ATOM 410 H8 ADE A 20 65.032 64.687 5.062 1.00 0.00 SBOX ATOM 411 N7 ADE A 20 62.952 64.438 4.747 1.00 0.00 SBOX N ATOM 412 C5 ADE A 20 62.146 63.339 5.108 1.00 0.00 SBOX C ATOM 413 C6 ADE A 20 60.830 62.895 4.913 1.00 0.00 SBOX C ATOM 414 N6 ADE A 20 59.958 63.465 4.141 1.00 0.00 SBOX N ATOM 415 H61 ADE A 20 59.025 63.082 4.194 1.00 0.00 SBOX ATOM 416 H62 ADE A 20 60.125 64.361 3.706 1.00 0.00 SBOX ATOM 417 N1 ADE A 20 60.437 61.651 5.306 1.00 0.00 SBOX N ATOM 418 C2 ADE A 20 61.300 60.921 5.959 1.00 0.00 SBOX C ATOM 419 H2 ADE A 20 60.883 59.960 6.221 1.00 0.00 SBOX ATOM 420 N3 ADE A 20 62.555 61.207 6.301 1.00 0.00 SBOX N ATOM 421 C4 ADE A 20 62.920 62.479 5.797 1.00 0.00 SBOX C ATOM 422 C3' ADE A 20 67.512 62.056 6.002 1.00 0.00 SBOX C ATOM 423 H3' ADE A 20 67.667 62.630 5.089 1.00 0.00 SBOX ATOM 424 C2' ADE A 20 66.084 61.536 5.848 1.00 0.00 SBOX C ATOM 425 H2'' ADE A 20 65.675 61.664 4.846 1.00 0.00 SBOX ATOM 426 O2' ADE A 20 65.923 60.079 6.163 1.00 0.00 SBOX O ATOM 427 H2' ADE A 20 66.415 59.853 6.955 1.00 0.00 SBOX ATOM 428 O3' ADE A 20 68.558 61.028 6.134 1.00 0.00 SBOX O ATOM 429 P GUA A 21 68.918 60.148 7.427 1.00 0.00 SBOX P ATOM 430 O1P GUA A 21 69.358 58.815 6.965 1.00 0.00 SBOX ATOM 431 O2P GUA A 21 69.766 60.914 8.371 1.00 0.00 SBOX ATOM 432 O5' GUA A 21 67.564 59.916 8.138 1.00 0.00 SBOX O ATOM 433 C5' GUA A 21 67.545 59.463 9.506 1.00 0.00 SBOX C ATOM 434 H5' GUA A 21 68.197 60.102 10.101 1.00 0.00 SBOX ATOM 435 H5'' GUA A 21 67.855 58.419 9.456 1.00 0.00 SBOX ATOM 436 C4' GUA A 21 66.153 59.648 10.119 1.00 0.00 SBOX C ATOM 437 H4' GUA A 21 66.099 60.542 10.740 1.00 0.00 SBOX ATOM 438 O4' GUA A 21 65.221 59.855 9.055 1.00 0.00 SBOX O ATOM 439 C1' GUA A 21 63.962 59.324 9.436 1.00 0.00 SBOX C ATOM 440 H1' GUA A 21 63.165 60.066 9.376 1.00 0.00 SBOX ATOM 441 N9 GUA A 21 63.580 58.201 8.522 1.00 0.00 SBOX N ATOM 442 C8 GUA A 21 64.385 57.625 7.546 1.00 0.00 SBOX C ATOM 443 H8 GUA A 21 65.415 57.928 7.424 1.00 0.00 SBOX ATOM 444 N7 GUA A 21 63.850 56.581 6.911 1.00 0.00 SBOX N ATOM 445 C5 GUA A 21 62.563 56.548 7.378 1.00 0.00 SBOX C ATOM 446 C6 GUA A 21 61.457 55.664 7.172 1.00 0.00 SBOX C ATOM 447 O6 GUA A 21 61.458 54.591 6.566 1.00 0.00 SBOX O ATOM 448 N1 GUA A 21 60.277 56.074 7.718 1.00 0.00 SBOX N ATOM 449 H1 GUA A 21 59.482 55.460 7.610 1.00 0.00 SBOX ATOM 450 C2 GUA A 21 60.260 57.089 8.619 1.00 0.00 SBOX C ATOM 451 N2 GUA A 21 59.126 57.375 9.046 1.00 0.00 SBOX N ATOM 452 H21 GUA A 21 58.342 56.896 8.625 1.00 0.00 SBOX ATOM 453 H22 GUA A 21 59.089 58.211 9.612 1.00 0.00 SBOX ATOM 454 N3 GUA A 21 61.199 57.899 8.949 1.00 0.00 SBOX N ATOM 455 C4 GUA A 21 62.387 57.558 8.316 1.00 0.00 SBOX C ATOM 456 C3' GUA A 21 65.562 58.521 11.021 1.00 0.00 SBOX C ATOM 457 H3' GUA A 21 65.866 57.575 10.574 1.00 0.00 SBOX ATOM 458 C2' GUA A 21 64.133 58.831 10.868 1.00 0.00 SBOX C ATOM 459 H2'' GUA A 21 63.514 57.973 11.131 1.00 0.00 SBOX ATOM 460 O2' GUA A 21 63.819 60.004 11.719 1.00 0.00 SBOX O ATOM 461 H2' GUA A 21 63.038 60.498 11.460 1.00 0.00 SBOX ATOM 462 O3' GUA A 21 66.083 58.487 12.311 1.00 0.00 SBOX O ATOM 463 P GUA A 22 66.042 57.209 13.242 1.00 0.00 SBOX P ATOM 464 O1P GUA A 22 66.743 56.193 12.529 1.00 0.00 SBOX ATOM 465 O2P GUA A 22 66.494 57.610 14.603 1.00 0.00 SBOX ATOM 466 O5' GUA A 22 64.461 56.937 13.221 1.00 0.00 SBOX O ATOM 467 C5' GUA A 22 63.502 57.772 13.973 1.00 0.00 SBOX C ATOM 468 H5' GUA A 22 63.554 58.803 13.624 1.00 0.00 SBOX ATOM 469 H5'' GUA A 22 63.826 57.751 15.014 1.00 0.00 SBOX ATOM 470 C4' GUA A 22 62.089 57.243 13.878 1.00 0.00 SBOX C ATOM 471 H4' GUA A 22 61.475 57.832 14.558 1.00 0.00 SBOX ATOM 472 O4' GUA A 22 61.482 57.471 12.635 1.00 0.00 SBOX O ATOM 473 C1' GUA A 22 60.659 56.416 12.331 1.00 0.00 SBOX C ATOM 474 H1' GUA A 22 59.672 56.769 12.033 1.00 0.00 SBOX ATOM 475 N9 GUA A 22 61.096 55.490 11.251 1.00 0.00 SBOX N ATOM 476 C8 GUA A 22 62.309 55.341 10.634 1.00 0.00 SBOX C ATOM 477 H8 GUA A 22 63.137 55.987 10.884 1.00 0.00 SBOX ATOM 478 N7 GUA A 22 62.262 54.352 9.799 1.00 0.00 SBOX N ATOM 479 C5 GUA A 22 60.963 53.888 9.787 1.00 0.00 SBOX C ATOM 480 C6 GUA A 22 60.419 52.678 9.174 1.00 0.00 SBOX C ATOM 481 O6 GUA A 22 60.867 51.884 8.428 1.00 0.00 SBOX O ATOM 482 N1 GUA A 22 59.094 52.434 9.580 1.00 0.00 SBOX N ATOM 483 H1 GUA A 22 58.529 51.684 9.207 1.00 0.00 SBOX ATOM 484 C2 GUA A 22 58.427 53.302 10.285 1.00 0.00 SBOX C ATOM 485 N2 GUA A 22 57.188 53.049 10.385 1.00 0.00 SBOX N ATOM 486 H21 GUA A 22 56.830 52.203 9.965 1.00 0.00 SBOX ATOM 487 H22 GUA A 22 56.846 53.575 11.176 1.00 0.00 SBOX ATOM 488 N3 GUA A 22 58.934 54.274 10.971 1.00 0.00 SBOX N ATOM 489 C4 GUA A 22 60.247 54.538 10.704 1.00 0.00 SBOX C ATOM 490 C3' GUA A 22 61.882 55.763 14.093 1.00 0.00 SBOX C ATOM 491 H3' GUA A 22 62.629 55.188 13.544 1.00 0.00 SBOX ATOM 492 C2' GUA A 22 60.504 55.593 13.636 1.00 0.00 SBOX C ATOM 493 H2'' GUA A 22 60.329 54.546 13.387 1.00 0.00 SBOX ATOM 494 O2' GUA A 22 59.474 56.148 14.402 1.00 0.00 SBOX O ATOM 495 H2' GUA A 22 58.698 55.659 14.117 1.00 0.00 SBOX ATOM 496 O3' GUA A 22 62.025 55.484 15.435 1.00 0.00 SBOX O ATOM 497 P GUA A 23 62.104 53.902 15.932 1.00 0.00 SBOX P ATOM 498 O1P GUA A 23 63.156 53.409 15.093 1.00 0.00 SBOX ATOM 499 O2P GUA A 23 62.307 53.967 17.397 1.00 0.00 SBOX ATOM 500 O5' GUA A 23 60.748 53.189 15.642 1.00 0.00 SBOX O ATOM 501 C5' GUA A 23 59.529 53.585 16.387 1.00 0.00 SBOX C ATOM 502 H5' GUA A 23 59.508 54.674 16.350 1.00 0.00 SBOX ATOM 503 H5'' GUA A 23 59.792 53.349 17.418 1.00 0.00 SBOX ATOM 504 C4' GUA A 23 58.192 52.927 16.013 1.00 0.00 SBOX C ATOM 505 H4' GUA A 23 57.494 53.454 16.663 1.00 0.00 SBOX ATOM 506 O4' GUA A 23 57.941 53.273 14.697 1.00 0.00 SBOX O ATOM 507 C1' GUA A 23 57.307 52.130 14.129 1.00 0.00 SBOX C ATOM 508 H1' GUA A 23 56.323 52.337 13.708 1.00 0.00 SBOX ATOM 509 N9 GUA A 23 58.221 51.487 13.096 1.00 0.00 SBOX N ATOM 510 C8 GUA A 23 59.590 51.569 13.098 1.00 0.00 SBOX C ATOM 511 H8 GUA A 23 60.143 52.327 13.633 1.00 0.00 SBOX ATOM 512 N7 GUA A 23 60.175 50.751 12.236 1.00 0.00 SBOX N ATOM 513 C5 GUA A 23 59.132 49.962 11.777 1.00 0.00 SBOX C ATOM 514 C6 GUA A 23 59.046 48.803 10.961 1.00 0.00 SBOX C ATOM 515 O6 GUA A 23 59.948 48.240 10.340 1.00 0.00 SBOX O ATOM 516 N1 GUA A 23 57.791 48.232 10.901 1.00 0.00 SBOX N ATOM 517 H1 GUA A 23 57.722 47.425 10.298 1.00 0.00 SBOX ATOM 518 C2 GUA A 23 56.699 48.764 11.446 1.00 0.00 SBOX C ATOM 519 N2 GUA A 23 55.668 48.099 11.304 1.00 0.00 SBOX N ATOM 520 H21 GUA A 23 55.495 47.337 10.663 1.00 0.00 SBOX ATOM 521 H22 GUA A 23 54.874 48.549 11.736 1.00 0.00 SBOX ATOM 522 N3 GUA A 23 56.676 49.870 12.161 1.00 0.00 SBOX N ATOM 523 C4 GUA A 23 57.897 50.401 12.291 1.00 0.00 SBOX C ATOM 524 C3' GUA A 23 58.138 51.449 16.263 1.00 0.00 SBOX C ATOM 525 H3' GUA A 23 59.094 51.016 15.968 1.00 0.00 SBOX ATOM 526 C2' GUA A 23 56.941 51.195 15.270 1.00 0.00 SBOX C ATOM 527 H2'' GUA A 23 56.775 50.184 14.898 1.00 0.00 SBOX ATOM 528 O2' GUA A 23 55.748 51.731 15.797 1.00 0.00 SBOX O ATOM 529 H2' GUA A 23 55.603 51.395 16.684 1.00 0.00 SBOX ATOM 530 O3' GUA A 23 57.862 51.137 17.565 1.00 0.00 SBOX O ATOM 531 P ADE A 24 58.094 49.626 18.054 1.00 0.00 SBOX P ATOM 532 O1P ADE A 24 57.153 49.438 19.169 1.00 0.00 SBOX ATOM 533 O2P ADE A 24 57.981 48.712 16.937 1.00 0.00 SBOX ATOM 534 O5' ADE A 24 59.518 49.569 18.683 1.00 0.00 SBOX O ATOM 535 C5' ADE A 24 60.082 50.736 19.224 1.00 0.00 SBOX C ATOM 536 H5' ADE A 24 59.336 51.277 19.806 1.00 0.00 SBOX ATOM 537 H5'' ADE A 24 60.458 51.267 18.350 1.00 0.00 SBOX ATOM 538 C4' ADE A 24 61.457 50.618 20.041 1.00 0.00 SBOX C ATOM 539 H4' ADE A 24 62.076 51.515 20.023 1.00 0.00 SBOX ATOM 540 O4' ADE A 24 61.109 50.329 21.391 1.00 0.00 SBOX O ATOM 541 C1' ADE A 24 61.782 49.144 21.832 1.00 0.00 SBOX C ATOM 542 H1' ADE A 24 62.246 49.334 22.801 1.00 0.00 SBOX ATOM 543 N9 ADE A 24 60.809 48.085 21.925 1.00 0.00 SBOX N ATOM 544 C8 ADE A 24 59.475 48.170 21.597 1.00 0.00 SBOX C ATOM 545 H8 ADE A 24 58.958 48.960 21.072 1.00 0.00 SBOX ATOM 546 N7 ADE A 24 58.684 47.336 22.204 1.00 0.00 SBOX N ATOM 547 C5 ADE A 24 59.677 46.570 22.846 1.00 0.00 SBOX C ATOM 548 C6 ADE A 24 59.590 45.302 23.581 1.00 0.00 SBOX C ATOM 549 N6 ADE A 24 58.571 44.513 23.781 1.00 0.00 SBOX N ATOM 550 H61 ADE A 24 58.666 43.738 24.423 1.00 0.00 SBOX ATOM 551 H62 ADE A 24 57.754 44.832 23.280 1.00 0.00 SBOX ATOM 552 N1 ADE A 24 60.662 44.707 24.190 1.00 0.00 SBOX N ATOM 553 C2 ADE A 24 61.822 45.315 23.997 1.00 0.00 SBOX C ATOM 554 H2 ADE A 24 62.695 45.007 24.552 1.00 0.00 SBOX ATOM 555 N3 ADE A 24 62.053 46.336 23.197 1.00 0.00 SBOX N ATOM 556 C4 ADE A 24 60.950 46.934 22.640 1.00 0.00 SBOX C ATOM 557 C3' ADE A 24 62.337 49.454 19.540 1.00 0.00 SBOX C ATOM 558 H3' ADE A 24 61.721 48.698 19.053 1.00 0.00 SBOX ATOM 559 C2' ADE A 24 62.832 48.707 20.821 1.00 0.00 SBOX C ATOM 560 H2'' ADE A 24 62.938 47.630 20.693 1.00 0.00 SBOX ATOM 561 O2' ADE A 24 64.068 49.234 21.256 1.00 0.00 SBOX O ATOM 562 H2' ADE A 24 64.056 50.147 21.550 1.00 0.00 SBOX ATOM 563 O3' ADE A 24 63.410 49.815 18.661 1.00 0.00 SBOX O ATOM 564 P CYT A 25 63.707 48.955 17.365 1.00 0.00 SBOX P ATOM 565 O1P CYT A 25 62.412 48.769 16.644 1.00 0.00 SBOX ATOM 566 O2P CYT A 25 64.931 49.564 16.723 1.00 0.00 SBOX ATOM 567 O5' CYT A 25 64.193 47.572 18.127 1.00 0.00 SBOX O ATOM 568 C5' CYT A 25 65.557 47.419 18.520 1.00 0.00 SBOX C ATOM 569 H5' CYT A 25 65.758 48.199 19.254 1.00 0.00 SBOX ATOM 570 H5'' CYT A 25 66.176 47.483 17.625 1.00 0.00 SBOX ATOM 571 C4' CYT A 25 65.792 46.089 19.252 1.00 0.00 SBOX C ATOM 572 H4' CYT A 25 66.826 46.181 19.584 1.00 0.00 SBOX ATOM 573 O4' CYT A 25 64.953 45.996 20.446 1.00 0.00 SBOX O ATOM 574 C1' CYT A 25 64.524 44.643 20.438 1.00 0.00 SBOX C ATOM 575 H1' CYT A 25 64.669 44.208 21.427 1.00 0.00 SBOX ATOM 576 N1 CYT A 25 63.027 44.456 20.276 1.00 0.00 SBOX N ATOM 577 C6 CYT A 25 62.224 45.230 19.508 1.00 0.00 SBOX C ATOM 578 H6 CYT A 25 62.741 45.992 18.944 1.00 0.00 SBOX ATOM 579 C5 CYT A 25 60.849 45.104 19.555 1.00 0.00 SBOX C ATOM 580 H5 CYT A 25 60.231 45.728 18.927 1.00 0.00 SBOX ATOM 581 C4 CYT A 25 60.327 44.102 20.424 1.00 0.00 SBOX C ATOM 582 N4 CYT A 25 59.099 43.780 20.282 1.00 0.00 SBOX N ATOM 583 H41 CYT A 25 58.810 42.851 20.555 1.00 0.00 SBOX ATOM 584 H42 CYT A 25 58.510 44.414 19.762 1.00 0.00 SBOX ATOM 585 N3 CYT A 25 61.064 43.170 20.914 1.00 0.00 SBOX N ATOM 586 C2 CYT A 25 62.397 43.362 20.863 1.00 0.00 SBOX C ATOM 587 O2 CYT A 25 63.102 42.573 21.470 1.00 0.00 SBOX O ATOM 588 C3' CYT A 25 65.693 44.875 18.361 1.00 0.00 SBOX C ATOM 589 H3' CYT A 25 64.817 44.917 17.714 1.00 0.00 SBOX ATOM 590 C2' CYT A 25 65.329 43.823 19.432 1.00 0.00 SBOX C ATOM 591 H2'' CYT A 25 64.579 43.139 19.035 1.00 0.00 SBOX ATOM 592 O2' CYT A 25 66.390 43.215 20.104 1.00 0.00 SBOX O ATOM 593 H2' CYT A 25 66.184 42.313 20.362 1.00 0.00 SBOX ATOM 594 O3' CYT A 25 66.950 44.522 17.763 1.00 0.00 SBOX O ATOM 595 P URA A 26 67.112 43.713 16.401 1.00 0.00 SBOX P ATOM 596 O1P URA A 26 66.649 44.620 15.334 1.00 0.00 SBOX ATOM 597 O2P URA A 26 68.469 43.214 16.291 1.00 0.00 SBOX ATOM 598 O5' URA A 26 66.172 42.470 16.443 1.00 0.00 SBOX O ATOM 599 C5' URA A 26 66.642 41.291 17.072 1.00 0.00 SBOX C ATOM 600 H5' URA A 26 66.661 41.459 18.149 1.00 0.00 SBOX ATOM 601 H5'' URA A 26 67.652 41.011 16.771 1.00 0.00 SBOX ATOM 602 C4' URA A 26 65.835 40.018 16.837 1.00 0.00 SBOX C ATOM 603 H4' URA A 26 66.488 39.226 17.204 1.00 0.00 SBOX ATOM 604 O4' URA A 26 64.715 40.025 17.710 1.00 0.00 SBOX O ATOM 605 C1' URA A 26 63.670 39.345 17.101 1.00 0.00 SBOX C ATOM 606 H1' URA A 26 63.411 38.574 17.827 1.00 0.00 SBOX ATOM 607 N1 URA A 26 62.451 40.117 16.845 1.00 0.00 SBOX N ATOM 608 C6 URA A 26 62.459 41.532 16.834 1.00 0.00 SBOX C ATOM 609 H6 URA A 26 63.378 42.094 16.909 1.00 0.00 SBOX ATOM 610 C5 URA A 26 61.234 42.223 16.924 1.00 0.00 SBOX C ATOM 611 H5 URA A 26 61.199 43.292 17.068 1.00 0.00 SBOX ATOM 612 C4 URA A 26 60.008 41.541 16.926 1.00 0.00 SBOX C ATOM 613 O4 URA A 26 58.903 41.985 17.013 1.00 0.00 SBOX O ATOM 614 N3 URA A 26 60.092 40.181 16.755 1.00 0.00 SBOX N ATOM 615 H3 URA A 26 59.222 39.698 16.581 1.00 0.00 SBOX ATOM 616 C2 URA A 26 61.310 39.435 16.618 1.00 0.00 SBOX C ATOM 617 O2 URA A 26 61.247 38.248 16.269 1.00 0.00 SBOX O ATOM 618 C3' URA A 26 65.373 39.698 15.418 1.00 0.00 SBOX C ATOM 619 H3' URA A 26 65.046 40.602 14.904 1.00 0.00 SBOX ATOM 620 C2' URA A 26 64.245 38.724 15.814 1.00 0.00 SBOX C ATOM 621 H2'' URA A 26 63.498 38.729 15.020 1.00 0.00 SBOX ATOM 622 O2' URA A 26 64.665 37.380 16.024 1.00 0.00 SBOX O ATOM 623 H2' URA A 26 64.019 36.716 15.774 1.00 0.00 SBOX ATOM 624 O3' URA A 26 66.429 39.108 14.681 1.00 0.00 SBOX O ATOM 625 P GUA A 27 66.684 39.420 13.093 1.00 0.00 SBOX P ATOM 626 O1P GUA A 27 66.650 40.848 12.787 1.00 0.00 SBOX ATOM 627 O2P GUA A 27 67.898 38.627 12.586 1.00 0.00 SBOX ATOM 628 O5' GUA A 27 65.294 38.886 12.484 1.00 0.00 SBOX O ATOM 629 C5' GUA A 27 65.074 37.514 12.225 1.00 0.00 SBOX C ATOM 630 H5' GUA A 27 65.461 36.974 13.089 1.00 0.00 SBOX ATOM 631 H5'' GUA A 27 65.608 37.111 11.365 1.00 0.00 SBOX ATOM 632 C4' GUA A 27 63.593 37.156 12.052 1.00 0.00 SBOX C ATOM 633 H4' GUA A 27 63.597 36.083 11.859 1.00 0.00 SBOX ATOM 634 O4' GUA A 27 62.900 37.327 13.312 1.00 0.00 SBOX O ATOM 635 C1' GUA A 27 61.640 37.776 12.981 1.00 0.00 SBOX C ATOM 636 H1' GUA A 27 60.915 37.137 13.485 1.00 0.00 SBOX ATOM 637 N9 GUA A 27 61.454 39.256 13.268 1.00 0.00 SBOX N ATOM 638 C8 GUA A 27 62.365 40.310 13.462 1.00 0.00 SBOX C ATOM 639 H8 GUA A 27 63.434 40.164 13.501 1.00 0.00 SBOX ATOM 640 N7 GUA A 27 61.835 41.466 13.632 1.00 0.00 SBOX N ATOM 641 C5 GUA A 27 60.442 41.219 13.695 1.00 0.00 SBOX C ATOM 642 C6 GUA A 27 59.379 42.098 14.069 1.00 0.00 SBOX C ATOM 643 O6 GUA A 27 59.450 43.293 14.430 1.00 0.00 SBOX O ATOM 644 N1 GUA A 27 58.177 41.475 13.963 1.00 0.00 SBOX N ATOM 645 H1 GUA A 27 57.367 41.895 14.398 1.00 0.00 SBOX ATOM 646 C2 GUA A 27 57.994 40.182 13.552 1.00 0.00 SBOX C ATOM 647 N2 GUA A 27 56.806 39.736 13.392 1.00 0.00 SBOX N ATOM 648 H21 GUA A 27 56.073 40.394 13.616 1.00 0.00 SBOX ATOM 649 H22 GUA A 27 56.619 38.928 12.815 1.00 0.00 SBOX ATOM 650 N3 GUA A 27 58.978 39.297 13.220 1.00 0.00 SBOX N ATOM 651 C4 GUA A 27 60.209 39.879 13.357 1.00 0.00 SBOX C ATOM 652 C3' GUA A 27 62.846 37.741 10.908 1.00 0.00 SBOX C ATOM 653 H3' GUA A 27 63.235 38.756 10.830 1.00 0.00 SBOX ATOM 654 C2' GUA A 27 61.411 37.632 11.474 1.00 0.00 SBOX C ATOM 655 H2'' GUA A 27 60.906 38.481 11.013 1.00 0.00 SBOX ATOM 656 O2' GUA A 27 60.923 36.307 11.170 1.00 0.00 SBOX O ATOM 657 H2' GUA A 27 60.796 36.171 10.228 1.00 0.00 SBOX ATOM 658 O3' GUA A 27 63.137 37.153 9.676 1.00 0.00 SBOX O ATOM 659 P GUA A 28 62.758 38.063 8.330 1.00 0.00 SBOX P ATOM 660 O1P GUA A 28 63.309 39.479 8.468 1.00 0.00 SBOX ATOM 661 O2P GUA A 28 63.086 37.301 7.126 1.00 0.00 SBOX ATOM 662 O5' GUA A 28 61.211 38.164 8.502 1.00 0.00 SBOX O ATOM 663 C5' GUA A 28 60.429 39.150 7.939 1.00 0.00 SBOX C ATOM 664 H5' GUA A 28 60.421 39.124 6.849 1.00 0.00 SBOX ATOM 665 H5'' GUA A 28 60.881 40.106 8.201 1.00 0.00 SBOX ATOM 666 C4' GUA A 28 58.998 39.015 8.459 1.00 0.00 SBOX C ATOM 667 H4' GUA A 28 58.604 38.025 8.228 1.00 0.00 SBOX ATOM 668 O4' GUA A 28 58.803 39.286 9.803 1.00 0.00 SBOX O ATOM 669 C1' GUA A 28 57.612 40.029 10.075 1.00 0.00 SBOX C ATOM 670 H1' GUA A 28 57.060 39.547 10.881 1.00 0.00 SBOX ATOM 671 N9 GUA A 28 57.955 41.335 10.512 1.00 0.00 SBOX N ATOM 672 C8 GUA A 28 59.186 41.933 10.495 1.00 0.00 SBOX C ATOM 673 H8 GUA A 28 60.063 41.381 10.190 1.00 0.00 SBOX ATOM 674 N7 GUA A 28 59.218 43.093 11.066 1.00 0.00 SBOX N ATOM 675 C5 GUA A 28 57.844 43.280 11.420 1.00 0.00 SBOX C ATOM 676 C6 GUA A 28 57.267 44.346 12.174 1.00 0.00 SBOX C ATOM 677 O6 GUA A 28 57.800 45.385 12.691 1.00 0.00 SBOX O ATOM 678 N1 GUA A 28 55.951 44.204 12.425 1.00 0.00 SBOX N ATOM 679 H1 GUA A 28 55.613 44.945 13.022 1.00 0.00 SBOX ATOM 680 C2 GUA A 28 55.175 43.251 11.949 1.00 0.00 SBOX C ATOM 681 N2 GUA A 28 53.900 43.288 12.115 1.00 0.00 SBOX N ATOM 682 H21 GUA A 28 53.426 44.129 12.411 1.00 0.00 SBOX ATOM 683 H22 GUA A 28 53.322 42.558 11.725 1.00 0.00 SBOX ATOM 684 N3 GUA A 28 55.693 42.162 11.292 1.00 0.00 SBOX N ATOM 685 C4 GUA A 28 57.091 42.230 11.071 1.00 0.00 SBOX C ATOM 686 C3' GUA A 28 57.938 39.896 7.663 1.00 0.00 SBOX C ATOM 687 H3' GUA A 28 58.329 40.900 7.504 1.00 0.00 SBOX ATOM 688 C2' GUA A 28 56.881 39.982 8.711 1.00 0.00 SBOX C ATOM 689 H2'' GUA A 28 56.317 40.894 8.516 1.00 0.00 SBOX ATOM 690 O2' GUA A 28 55.961 38.911 8.716 1.00 0.00 SBOX O ATOM 691 H2' GUA A 28 55.461 39.147 9.501 1.00 0.00 SBOX ATOM 692 O3' GUA A 28 57.581 39.335 6.413 1.00 0.00 SBOX O ATOM 693 P CYT A 29 57.118 40.254 5.291 1.00 0.00 SBOX P ATOM 694 O1P CYT A 29 58.356 40.913 4.870 1.00 0.00 SBOX ATOM 695 O2P CYT A 29 56.580 39.380 4.272 1.00 0.00 SBOX ATOM 696 O5' CYT A 29 56.023 41.361 5.559 1.00 0.00 SBOX O ATOM 697 C5' CYT A 29 54.673 40.974 5.868 1.00 0.00 SBOX C ATOM 698 H5' CYT A 29 54.546 40.091 6.495 1.00 0.00 SBOX ATOM 699 H5'' CYT A 29 54.120 40.837 4.939 1.00 0.00 SBOX ATOM 700 C4' CYT A 29 53.961 42.101 6.517 1.00 0.00 SBOX C ATOM 701 H4' CYT A 29 52.929 41.763 6.616 1.00 0.00 SBOX ATOM 702 O4' CYT A 29 54.427 42.256 7.813 1.00 0.00 SBOX O ATOM 703 C1' CYT A 29 54.423 43.629 8.147 1.00 0.00 SBOX C ATOM 704 H1' CYT A 29 54.044 43.689 9.167 1.00 0.00 SBOX ATOM 705 N1 CYT A 29 55.777 44.329 8.233 1.00 0.00 SBOX N ATOM 706 C6 CYT A 29 56.951 43.729 7.761 1.00 0.00 SBOX C ATOM 707 H6 CYT A 29 56.856 42.747 7.322 1.00 0.00 SBOX ATOM 708 C5 CYT A 29 58.034 44.488 7.636 1.00 0.00 SBOX C ATOM 709 H5 CYT A 29 58.936 44.070 7.213 1.00 0.00 SBOX ATOM 710 C4 CYT A 29 58.033 45.698 8.305 1.00 0.00 SBOX C ATOM 711 N4 CYT A 29 59.197 46.276 8.453 1.00 0.00 SBOX N ATOM 712 H41 CYT A 29 59.247 47.080 9.063 1.00 0.00 SBOX ATOM 713 H42 CYT A 29 59.983 45.652 8.347 1.00 0.00 SBOX ATOM 714 N3 CYT A 29 57.002 46.264 8.847 1.00 0.00 SBOX N ATOM 715 C2 CYT A 29 55.820 45.579 8.851 1.00 0.00 SBOX C ATOM 716 O2 CYT A 29 54.875 46.009 9.435 1.00 0.00 SBOX O ATOM 717 C3' CYT A 29 53.929 43.506 5.820 1.00 0.00 SBOX C ATOM 718 H3' CYT A 29 54.951 43.804 5.584 1.00 0.00 SBOX ATOM 719 C2' CYT A 29 53.560 44.313 7.047 1.00 0.00 SBOX C ATOM 720 H2'' CYT A 29 53.895 45.350 7.014 1.00 0.00 SBOX ATOM 721 O2' CYT A 29 52.264 44.113 7.633 1.00 0.00 SBOX O ATOM 722 H2' CYT A 29 52.190 44.554 8.483 1.00 0.00 SBOX ATOM 723 O3' CYT A 29 52.980 43.696 4.796 1.00 0.00 SBOX O ATOM 724 P CYT A 30 53.002 45.024 3.909 1.00 0.00 SBOX P ATOM 725 O1P CYT A 30 54.381 45.347 3.543 1.00 0.00 SBOX ATOM 726 O2P CYT A 30 52.002 44.934 2.844 1.00 0.00 SBOX ATOM 727 O5' CYT A 30 52.405 46.031 4.956 1.00 0.00 SBOX O ATOM 728 C5' CYT A 30 52.697 47.418 4.999 1.00 0.00 SBOX C ATOM 729 H5' CYT A 30 52.160 47.928 4.198 1.00 0.00 SBOX ATOM 730 H5'' CYT A 30 53.767 47.523 4.819 1.00 0.00 SBOX ATOM 731 C4' CYT A 30 52.472 48.184 6.244 1.00 0.00 SBOX C ATOM 732 H4' CYT A 30 51.454 48.051 6.610 1.00 0.00 SBOX ATOM 733 O4' CYT A 30 53.429 47.955 7.297 1.00 0.00 SBOX O ATOM 734 C1' CYT A 30 53.963 49.159 7.960 1.00 0.00 SBOX C ATOM 735 H1' CYT A 30 53.777 49.080 9.031 1.00 0.00 SBOX ATOM 736 N1 CYT A 30 55.399 49.255 7.762 1.00 0.00 SBOX N ATOM 737 C6 CYT A 30 56.014 48.588 6.741 1.00 0.00 SBOX C ATOM 738 H6 CYT A 30 55.506 47.830 6.163 1.00 0.00 SBOX ATOM 739 C5 CYT A 30 57.328 48.676 6.636 1.00 0.00 SBOX C ATOM 740 H5 CYT A 30 57.801 47.968 5.972 1.00 0.00 SBOX ATOM 741 C4 CYT A 30 58.050 49.536 7.493 1.00 0.00 SBOX C ATOM 742 N4 CYT A 30 59.324 49.576 7.428 1.00 0.00 SBOX N ATOM 743 H41 CYT A 30 59.697 50.203 8.127 1.00 0.00 SBOX ATOM 744 H42 CYT A 30 59.828 49.093 6.699 1.00 0.00 SBOX ATOM 745 N3 CYT A 30 57.460 50.344 8.375 1.00 0.00 SBOX N ATOM 746 C2 CYT A 30 56.110 50.190 8.561 1.00 0.00 SBOX C ATOM 747 O2 CYT A 30 55.457 50.823 9.376 1.00 0.00 SBOX O ATOM 748 C3' CYT A 30 52.674 49.664 6.078 1.00 0.00 SBOX C ATOM 749 H3' CYT A 30 53.560 49.737 5.448 1.00 0.00 SBOX ATOM 750 C2' CYT A 30 53.081 50.254 7.414 1.00 0.00 SBOX C ATOM 751 H2'' CYT A 30 53.648 51.172 7.263 1.00 0.00 SBOX ATOM 752 O2' CYT A 30 51.973 50.413 8.331 1.00 0.00 SBOX O ATOM 753 H2' CYT A 30 52.157 50.986 9.079 1.00 0.00 SBOX ATOM 754 O3' CYT A 30 51.495 50.189 5.348 1.00 0.00 SBOX O ATOM 755 P CYT A 31 51.722 51.495 4.380 1.00 0.00 SBOX P ATOM 756 O1P CYT A 31 52.859 51.033 3.420 1.00 0.00 SBOX ATOM 757 O2P CYT A 31 50.390 51.859 3.818 1.00 0.00 SBOX ATOM 758 O5' CYT A 31 52.338 52.657 5.264 1.00 0.00 SBOX O ATOM 759 C5' CYT A 31 51.676 53.200 6.362 1.00 0.00 SBOX C ATOM 760 H5' CYT A 31 51.275 52.479 7.074 1.00 0.00 SBOX ATOM 761 H5'' CYT A 31 50.811 53.697 5.922 1.00 0.00 SBOX ATOM 762 C4' CYT A 31 52.583 54.241 7.034 1.00 0.00 SBOX C ATOM 763 H4' CYT A 31 52.023 54.939 7.658 1.00 0.00 SBOX ATOM 764 O4' CYT A 31 53.551 53.653 7.852 1.00 0.00 SBOX O ATOM 765 C1' CYT A 31 54.675 54.515 7.834 1.00 0.00 SBOX C ATOM 766 H1' CYT A 31 54.970 54.767 8.853 1.00 0.00 SBOX ATOM 767 N1 CYT A 31 55.827 53.987 7.068 1.00 0.00 SBOX N ATOM 768 C6 CYT A 31 55.805 52.823 6.324 1.00 0.00 SBOX C ATOM 769 H6 CYT A 31 54.885 52.279 6.172 1.00 0.00 SBOX ATOM 770 C5 CYT A 31 56.999 52.339 5.897 1.00 0.00 SBOX C ATOM 771 H5 CYT A 31 56.991 51.322 5.535 1.00 0.00 SBOX ATOM 772 C4 CYT A 31 58.139 53.147 6.028 1.00 0.00 SBOX C ATOM 773 N4 CYT A 31 59.252 52.729 5.622 1.00 0.00 SBOX N ATOM 774 H41 CYT A 31 60.009 53.277 6.005 1.00 0.00 SBOX ATOM 775 H42 CYT A 31 59.354 51.738 5.457 1.00 0.00 SBOX ATOM 776 N3 CYT A 31 58.218 54.215 6.756 1.00 0.00 SBOX N ATOM 777 C2 CYT A 31 57.055 54.648 7.272 1.00 0.00 SBOX C ATOM 778 O2 CYT A 31 57.114 55.757 7.850 1.00 0.00 SBOX O ATOM 779 C3' CYT A 31 53.194 55.165 6.087 1.00 0.00 SBOX C ATOM 780 H3' CYT A 31 53.808 54.636 5.358 1.00 0.00 SBOX ATOM 781 C2' CYT A 31 54.182 55.801 7.073 1.00 0.00 SBOX C ATOM 782 H2'' CYT A 31 54.969 56.244 6.463 1.00 0.00 SBOX ATOM 783 O2' CYT A 31 53.603 56.751 8.003 1.00 0.00 SBOX O ATOM 784 H2' CYT A 31 54.338 56.935 8.592 1.00 0.00 SBOX ATOM 785 O3' CYT A 31 52.440 56.052 5.306 1.00 0.00 SBOX O ATOM 786 P GUA A 32 52.954 56.497 3.850 1.00 0.00 SBOX P ATOM 787 O1P GUA A 32 53.315 55.313 3.017 1.00 0.00 SBOX ATOM 788 O2P GUA A 32 52.035 57.441 3.283 1.00 0.00 SBOX ATOM 789 O5' GUA A 32 54.282 57.294 4.156 1.00 0.00 SBOX O ATOM 790 C5' GUA A 32 54.255 58.441 4.939 1.00 0.00 SBOX C ATOM 791 H5' GUA A 32 53.867 58.216 5.932 1.00 0.00 SBOX ATOM 792 H5'' GUA A 32 53.579 59.130 4.432 1.00 0.00 SBOX ATOM 793 C4' GUA A 32 55.663 59.077 4.990 1.00 0.00 SBOX C ATOM 794 H4' GUA A 32 55.658 60.092 5.386 1.00 0.00 SBOX ATOM 795 O4' GUA A 32 56.554 58.272 5.719 1.00 0.00 SBOX O ATOM 796 C1' GUA A 32 57.825 58.543 5.207 1.00 0.00 SBOX C ATOM 797 H1' GUA A 32 58.401 59.081 5.960 1.00 0.00 SBOX ATOM 798 N9 GUA A 32 58.550 57.346 4.694 1.00 0.00 SBOX N ATOM 799 C8 GUA A 32 57.924 56.264 4.086 1.00 0.00 SBOX C ATOM 800 H8 GUA A 32 56.844 56.291 4.077 1.00 0.00 SBOX ATOM 801 N7 GUA A 32 58.715 55.557 3.368 1.00 0.00 SBOX N ATOM 802 C5 GUA A 32 60.012 56.021 3.764 1.00 0.00 SBOX C ATOM 803 C6 GUA A 32 61.293 55.700 3.224 1.00 0.00 SBOX C ATOM 804 O6 GUA A 32 61.614 54.794 2.427 1.00 0.00 SBOX O ATOM 805 N1 GUA A 32 62.280 56.496 3.644 1.00 0.00 SBOX N ATOM 806 H1 GUA A 32 63.204 56.337 3.268 1.00 0.00 SBOX ATOM 807 C2 GUA A 32 62.054 57.604 4.355 1.00 0.00 SBOX C ATOM 808 N2 GUA A 32 63.043 58.465 4.470 1.00 0.00 SBOX N ATOM 809 H21 GUA A 32 64.004 58.158 4.410 1.00 0.00 SBOX ATOM 810 H22 GUA A 32 62.773 59.156 5.155 1.00 0.00 SBOX ATOM 811 N3 GUA A 32 60.833 58.008 4.807 1.00 0.00 SBOX N ATOM 812 C4 GUA A 32 59.864 57.171 4.494 1.00 0.00 SBOX C ATOM 813 C3' GUA A 32 56.193 59.193 3.634 1.00 0.00 SBOX C ATOM 814 H3' GUA A 32 56.190 58.236 3.112 1.00 0.00 SBOX ATOM 815 C2' GUA A 32 57.636 59.528 3.978 1.00 0.00 SBOX C ATOM 816 H2'' GUA A 32 58.232 59.321 3.089 1.00 0.00 SBOX ATOM 817 O2' GUA A 32 57.919 60.849 4.324 1.00 0.00 SBOX O ATOM 818 H2' GUA A 32 58.840 61.000 4.550 1.00 0.00 SBOX ATOM 819 O3' GUA A 32 55.480 60.036 2.754 1.00 0.00 SBOX O ATOM 820 P ADE A 33 55.853 59.969 1.198 1.00 0.00 SBOX P ATOM 821 O1P ADE A 33 57.123 59.280 0.909 1.00 0.00 SBOX ATOM 822 O2P ADE A 33 54.620 59.501 0.507 1.00 0.00 SBOX ATOM 823 O5' ADE A 33 55.984 61.545 0.871 1.00 0.00 SBOX O ATOM 824 C5' ADE A 33 57.200 62.250 1.250 1.00 0.00 SBOX C ATOM 825 H5' ADE A 33 58.055 61.600 1.062 1.00 0.00 SBOX ATOM 826 H5'' ADE A 33 57.310 62.355 2.330 1.00 0.00 SBOX ATOM 827 C4' ADE A 33 57.505 63.659 0.667 1.00 0.00 SBOX C ATOM 828 H4' ADE A 33 56.591 64.213 0.879 1.00 0.00 SBOX ATOM 829 O4' ADE A 33 58.490 64.413 1.317 1.00 0.00 SBOX O ATOM 830 C1' ADE A 33 59.435 64.859 0.314 1.00 0.00 SBOX C ATOM 831 H1' ADE A 33 59.249 65.932 0.280 1.00 0.00 SBOX ATOM 832 N9 ADE A 33 60.820 64.565 0.664 1.00 0.00 SBOX N ATOM 833 C8 ADE A 33 61.965 65.397 0.526 1.00 0.00 SBOX C ATOM 834 H8 ADE A 33 61.824 66.368 0.073 1.00 0.00 SBOX ATOM 835 N7 ADE A 33 63.061 64.877 1.013 1.00 0.00 SBOX N ATOM 836 C5 ADE A 33 62.627 63.528 1.337 1.00 0.00 SBOX C ATOM 837 C6 ADE A 33 63.340 62.368 1.874 1.00 0.00 SBOX C ATOM 838 N6 ADE A 33 64.588 62.205 2.061 1.00 0.00 SBOX N ATOM 839 H61 ADE A 33 64.779 61.331 2.528 1.00 0.00 SBOX ATOM 840 H62 ADE A 33 65.271 62.934 1.917 1.00 0.00 SBOX ATOM 841 N1 ADE A 33 62.703 61.215 2.080 1.00 0.00 SBOX N ATOM 842 C2 ADE A 33 61.416 61.198 1.827 1.00 0.00 SBOX C ATOM 843 H2 ADE A 33 61.056 60.183 1.904 1.00 0.00 SBOX ATOM 844 N3 ADE A 33 60.660 62.127 1.272 1.00 0.00 SBOX N ATOM 845 C4 ADE A 33 61.319 63.348 1.135 1.00 0.00 SBOX C ATOM 846 C3' ADE A 33 57.662 63.624 -0.814 1.00 0.00 SBOX C ATOM 847 H3' ADE A 33 57.665 62.562 -1.062 1.00 0.00 SBOX ATOM 848 C2' ADE A 33 59.093 64.211 -1.031 1.00 0.00 SBOX C ATOM 849 H2'' ADE A 33 59.768 63.365 -1.156 1.00 0.00 SBOX ATOM 850 O2' ADE A 33 59.250 65.076 -2.113 1.00 0.00 SBOX O ATOM 851 H2' ADE A 33 58.442 65.593 -2.143 1.00 0.00 SBOX ATOM 852 O3' ADE A 33 56.450 64.124 -1.500 1.00 0.00 SBOX O ATOM 853 P URA A 34 55.872 65.623 -1.550 1.00 0.00 SBOX P ATOM 854 O1P URA A 34 57.023 66.563 -1.675 1.00 0.00 SBOX ATOM 855 O2P URA A 34 54.916 65.599 -2.664 1.00 0.00 SBOX ATOM 856 O5' URA A 34 55.115 65.799 -0.133 1.00 0.00 SBOX O ATOM 857 C5' URA A 34 54.123 64.907 0.375 1.00 0.00 SBOX C ATOM 858 H5' URA A 34 54.163 64.865 1.464 1.00 0.00 SBOX ATOM 859 H5'' URA A 34 54.266 63.854 0.132 1.00 0.00 SBOX ATOM 860 C4' URA A 34 52.701 65.395 0.005 1.00 0.00 SBOX C ATOM 861 H4' URA A 34 52.633 66.471 0.163 1.00 0.00 SBOX ATOM 862 O4' URA A 34 52.398 65.290 -1.365 1.00 0.00 SBOX O ATOM 863 C1' URA A 34 51.017 64.848 -1.571 1.00 0.00 SBOX C ATOM 864 H1' URA A 34 50.436 65.505 -2.219 1.00 0.00 SBOX ATOM 865 N1 URA A 34 51.184 63.497 -2.225 1.00 0.00 SBOX N ATOM 866 C6 URA A 34 52.360 62.822 -2.617 1.00 0.00 SBOX C ATOM 867 H6 URA A 34 53.288 63.355 -2.472 1.00 0.00 SBOX ATOM 868 C5 URA A 34 52.388 61.577 -3.157 1.00 0.00 SBOX C ATOM 869 H5 URA A 34 53.282 61.113 -3.545 1.00 0.00 SBOX ATOM 870 C4 URA A 34 51.084 60.877 -3.381 1.00 0.00 SBOX C ATOM 871 O4 URA A 34 51.006 59.797 -3.858 1.00 0.00 SBOX O ATOM 872 N3 URA A 34 49.971 61.624 -3.028 1.00 0.00 SBOX N ATOM 873 H3 URA A 34 49.082 61.152 -2.945 1.00 0.00 SBOX ATOM 874 C2 URA A 34 49.925 62.901 -2.534 1.00 0.00 SBOX C ATOM 875 O2 URA A 34 48.822 63.404 -2.466 1.00 0.00 SBOX O ATOM 876 C3' URA A 34 51.605 64.721 0.771 1.00 0.00 SBOX C ATOM 877 H3' URA A 34 51.831 63.678 0.992 1.00 0.00 SBOX ATOM 878 C2' URA A 34 50.382 64.752 -0.206 1.00 0.00 SBOX C ATOM 879 H2'' URA A 34 49.954 63.753 -0.120 1.00 0.00 SBOX ATOM 880 O2' URA A 34 49.439 65.789 -0.031 1.00 0.00 SBOX O ATOM 881 H2' URA A 34 49.594 66.240 0.803 1.00 0.00 SBOX ATOM 882 O3' URA A 34 51.174 65.455 1.879 1.00 0.00 SBOX O ATOM 883 P GUA A 35 51.717 65.210 3.312 1.00 0.00 SBOX P ATOM 884 O1P GUA A 35 50.652 65.669 4.137 1.00 0.00 SBOX ATOM 885 O2P GUA A 35 52.073 63.778 3.361 1.00 0.00 SBOX ATOM 886 O5' GUA A 35 52.896 66.294 3.363 1.00 0.00 SBOX O ATOM 887 C5' GUA A 35 53.680 66.537 4.525 1.00 0.00 SBOX C ATOM 888 H5' GUA A 35 53.175 66.617 5.487 1.00 0.00 SBOX ATOM 889 H5'' GUA A 35 54.242 67.456 4.355 1.00 0.00 SBOX ATOM 890 C4' GUA A 35 54.766 65.384 4.670 1.00 0.00 SBOX C ATOM 891 H4' GUA A 35 54.166 64.512 4.932 1.00 0.00 SBOX ATOM 892 O4' GUA A 35 55.536 65.244 3.525 1.00 0.00 SBOX O ATOM 893 C1' GUA A 35 56.913 65.415 3.810 1.00 0.00 SBOX C ATOM 894 H1' GUA A 35 57.562 64.692 3.316 1.00 0.00 SBOX ATOM 895 N9 GUA A 35 57.416 66.737 3.396 1.00 0.00 SBOX N ATOM 896 C8 GUA A 35 56.701 67.591 2.606 1.00 0.00 SBOX C ATOM 897 H8 GUA A 35 55.626 67.488 2.620 1.00 0.00 SBOX ATOM 898 N7 GUA A 35 57.377 68.565 2.100 1.00 0.00 SBOX N ATOM 899 C5 GUA A 35 58.681 68.327 2.484 1.00 0.00 SBOX C ATOM 900 C6 GUA A 35 59.841 69.055 2.252 1.00 0.00 SBOX C ATOM 901 O6 GUA A 35 59.871 70.080 1.597 1.00 0.00 SBOX O ATOM 902 N1 GUA A 35 60.958 68.506 2.787 1.00 0.00 SBOX N ATOM 903 H1 GUA A 35 61.870 68.865 2.540 1.00 0.00 SBOX ATOM 904 C2 GUA A 35 60.891 67.376 3.520 1.00 0.00 SBOX C ATOM 905 N2 GUA A 35 62.051 66.964 3.836 1.00 0.00 SBOX N ATOM 906 H21 GUA A 35 62.865 67.504 3.581 1.00 0.00 SBOX ATOM 907 H22 GUA A 35 62.131 66.022 4.194 1.00 0.00 SBOX ATOM 908 N3 GUA A 35 59.843 66.581 3.846 1.00 0.00 SBOX N ATOM 909 C4 GUA A 35 58.718 67.203 3.312 1.00 0.00 SBOX C ATOM 910 C3' GUA A 35 55.804 65.613 5.843 1.00 0.00 SBOX C ATOM 911 H3' GUA A 35 55.935 66.662 6.109 1.00 0.00 SBOX ATOM 912 C2' GUA A 35 57.122 65.082 5.279 1.00 0.00 SBOX C ATOM 913 H2'' GUA A 35 57.886 65.650 5.811 1.00 0.00 SBOX ATOM 914 O2' GUA A 35 57.376 63.694 5.345 1.00 0.00 SBOX O ATOM 915 H2' GUA A 35 56.697 63.263 5.870 1.00 0.00 SBOX ATOM 916 O3' GUA A 35 55.405 64.854 6.967 1.00 0.00 SBOX O ATOM 917 P ADE A 36 56.187 65.043 8.290 1.00 0.00 SBOX P ATOM 918 O1P ADE A 36 57.110 66.172 8.142 1.00 0.00 SBOX ATOM 919 O2P ADE A 36 55.088 65.148 9.232 1.00 0.00 SBOX ATOM 920 O5' ADE A 36 56.983 63.758 8.721 1.00 0.00 SBOX O ATOM 921 C5' ADE A 36 56.364 62.514 8.720 1.00 0.00 SBOX C ATOM 922 H5' ADE A 36 55.958 62.293 7.733 1.00 0.00 SBOX ATOM 923 H5'' ADE A 36 55.627 62.673 9.507 1.00 0.00 SBOX ATOM 924 C4' ADE A 36 57.240 61.386 9.244 1.00 0.00 SBOX C ATOM 925 H4' ADE A 36 56.565 60.558 9.460 1.00 0.00 SBOX ATOM 926 O4' ADE A 36 58.222 60.881 8.347 1.00 0.00 SBOX O ATOM 927 C1' ADE A 36 59.427 60.902 9.081 1.00 0.00 SBOX C ATOM 928 H1' ADE A 36 59.997 60.050 8.709 1.00 0.00 SBOX ATOM 929 N9 ADE A 36 60.188 62.179 8.715 1.00 0.00 SBOX N ATOM 930 C8 ADE A 36 59.785 63.146 7.893 1.00 0.00 SBOX C ATOM 931 H8 ADE A 36 58.882 63.069 7.305 1.00 0.00 SBOX ATOM 932 N7 ADE A 36 60.538 64.202 7.760 1.00 0.00 SBOX N ATOM 933 C5 ADE A 36 61.550 63.889 8.621 1.00 0.00 SBOX C ATOM 934 C6 ADE A 36 62.731 64.539 9.158 1.00 0.00 SBOX C ATOM 935 N6 ADE A 36 63.186 65.720 8.794 1.00 0.00 SBOX N ATOM 936 H61 ADE A 36 64.191 65.784 8.872 1.00 0.00 SBOX ATOM 937 H62 ADE A 36 62.716 66.177 8.026 1.00 0.00 SBOX ATOM 938 N1 ADE A 36 63.522 63.960 10.056 1.00 0.00 SBOX N ATOM 939 C2 ADE A 36 63.184 62.744 10.476 1.00 0.00 SBOX C ATOM 940 H2 ADE A 36 63.894 62.397 11.212 1.00 0.00 SBOX ATOM 941 N3 ADE A 36 62.143 62.047 10.138 1.00 0.00 SBOX N ATOM 942 C4 ADE A 36 61.372 62.693 9.214 1.00 0.00 SBOX C ATOM 943 C3' ADE A 36 57.872 61.720 10.647 1.00 0.00 SBOX C ATOM 944 H3' ADE A 36 58.117 62.772 10.798 1.00 0.00 SBOX ATOM 945 C2' ADE A 36 59.120 60.874 10.519 1.00 0.00 SBOX C ATOM 946 H2'' ADE A 36 59.856 61.264 11.222 1.00 0.00 SBOX ATOM 947 O2' ADE A 36 58.963 59.508 10.804 1.00 0.00 SBOX O ATOM 948 H2' ADE A 36 58.322 59.564 11.517 1.00 0.00 SBOX ATOM 949 O3' ADE A 36 57.125 61.201 11.762 1.00 0.00 SBOX O ATOM 950 P ADE A 37 56.852 61.971 13.049 1.00 0.00 SBOX P ATOM 951 O1P ADE A 37 56.431 63.347 12.744 1.00 0.00 SBOX ATOM 952 O2P ADE A 37 55.975 61.172 13.940 1.00 0.00 SBOX ATOM 953 O5' ADE A 37 58.262 62.092 13.645 1.00 0.00 SBOX O ATOM 954 C5' ADE A 37 58.937 60.916 14.062 1.00 0.00 SBOX C ATOM 955 H5' ADE A 37 58.966 60.107 13.333 1.00 0.00 SBOX ATOM 956 H5'' ADE A 37 58.297 60.480 14.829 1.00 0.00 SBOX ATOM 957 C4' ADE A 37 60.368 61.161 14.593 1.00 0.00 SBOX C ATOM 958 H4' ADE A 37 60.854 60.235 14.901 1.00 0.00 SBOX ATOM 959 O4' ADE A 37 61.164 61.649 13.585 1.00 0.00 SBOX O ATOM 960 C1' ADE A 37 62.015 62.709 14.067 1.00 0.00 SBOX C ATOM 961 H1' ADE A 37 62.999 62.318 13.811 1.00 0.00 SBOX ATOM 962 N9 ADE A 37 61.720 63.918 13.367 1.00 0.00 SBOX N ATOM 963 C8 ADE A 37 60.638 64.315 12.565 1.00 0.00 SBOX C ATOM 964 H8 ADE A 37 59.826 63.633 12.360 1.00 0.00 SBOX ATOM 965 N7 ADE A 37 60.791 65.461 11.942 1.00 0.00 SBOX N ATOM 966 C5 ADE A 37 61.977 65.896 12.585 1.00 0.00 SBOX C ATOM 967 C6 ADE A 37 62.780 67.001 12.334 1.00 0.00 SBOX C ATOM 968 N6 ADE A 37 62.527 67.997 11.539 1.00 0.00 SBOX N ATOM 969 H61 ADE A 37 63.295 68.649 11.472 1.00 0.00 SBOX ATOM 970 H62 ADE A 37 61.626 68.086 11.091 1.00 0.00 SBOX ATOM 971 N1 ADE A 37 64.021 67.078 12.857 1.00 0.00 SBOX N ATOM 972 C2 ADE A 37 64.426 66.116 13.650 1.00 0.00 SBOX C ATOM 973 H2 ADE A 37 65.458 66.222 13.952 1.00 0.00 SBOX ATOM 974 N3 ADE A 37 63.782 64.992 13.923 1.00 0.00 SBOX N ATOM 975 C4 ADE A 37 62.595 64.922 13.305 1.00 0.00 SBOX C ATOM 976 C3' ADE A 37 60.387 62.121 15.784 1.00 0.00 SBOX C ATOM 977 H3' ADE A 37 59.665 62.936 15.717 1.00 0.00 SBOX ATOM 978 C2' ADE A 37 61.694 62.774 15.524 1.00 0.00 SBOX C ATOM 979 H2'' ADE A 37 61.729 63.776 15.950 1.00 0.00 SBOX ATOM 980 O2' ADE A 37 62.725 61.994 16.088 1.00 0.00 SBOX O ATOM 981 H2' ADE A 37 62.153 61.489 16.670 1.00 0.00 SBOX ATOM 982 O3' ADE A 37 60.456 61.468 17.042 1.00 0.00 SBOX O ATOM 983 P ADE A 38 59.872 62.225 18.211 1.00 0.00 SBOX P ATOM 984 O1P ADE A 38 58.464 62.433 17.848 1.00 0.00 SBOX ATOM 985 O2P ADE A 38 60.242 61.438 19.417 1.00 0.00 SBOX ATOM 986 O5' ADE A 38 60.617 63.556 18.317 1.00 0.00 SBOX O ATOM 987 C5' ADE A 38 61.898 63.616 18.893 1.00 0.00 SBOX C ATOM 988 H5' ADE A 38 62.587 62.939 18.388 1.00 0.00 SBOX ATOM 989 H5'' ADE A 38 61.988 63.546 19.977 1.00 0.00 SBOX ATOM 990 C4' ADE A 38 62.619 64.987 18.572 1.00 0.00 SBOX C ATOM 991 H4' ADE A 38 63.611 64.962 19.023 1.00 0.00 SBOX ATOM 992 O4' ADE A 38 62.810 65.379 17.251 1.00 0.00 SBOX O ATOM 993 C1' ADE A 38 62.499 66.772 17.107 1.00 0.00 SBOX C ATOM 994 H1' ADE A 38 63.276 67.376 16.637 1.00 0.00 SBOX ATOM 995 N9 ADE A 38 61.300 66.930 16.255 1.00 0.00 SBOX N ATOM 996 C8 ADE A 38 60.312 65.996 15.993 1.00 0.00 SBOX C ATOM 997 H8 ADE A 38 60.278 64.997 16.401 1.00 0.00 SBOX ATOM 998 N7 ADE A 38 59.456 66.380 15.082 1.00 0.00 SBOX N ATOM 999 C5 ADE A 38 59.878 67.688 14.805 1.00 0.00 SBOX C ATOM 1000 C6 ADE A 38 59.383 68.720 13.962 1.00 0.00 SBOX C ATOM 1001 N6 ADE A 38 58.267 68.699 13.162 1.00 0.00 SBOX N ATOM 1002 H61 ADE A 38 57.975 69.509 12.634 1.00 0.00 SBOX ATOM 1003 H62 ADE A 38 57.693 67.870 13.211 1.00 0.00 SBOX ATOM 1004 N1 ADE A 38 59.952 69.951 13.914 1.00 0.00 SBOX N ATOM 1005 C2 ADE A 38 60.917 70.189 14.852 1.00 0.00 SBOX C ATOM 1006 H2 ADE A 38 61.399 71.155 14.859 1.00 0.00 SBOX ATOM 1007 N3 ADE A 38 61.437 69.324 15.712 1.00 0.00 SBOX N ATOM 1008 C4 ADE A 38 60.906 68.058 15.618 1.00 0.00 SBOX C ATOM 1009 C3' ADE A 38 61.833 66.065 19.274 1.00 0.00 SBOX C ATOM 1010 H3' ADE A 38 60.767 65.911 19.109 1.00 0.00 SBOX ATOM 1011 C2' ADE A 38 62.326 67.313 18.561 1.00 0.00 SBOX C ATOM 1012 H2'' ADE A 38 61.585 68.112 18.539 1.00 0.00 SBOX ATOM 1013 O2' ADE A 38 63.538 67.757 18.933 1.00 0.00 SBOX O ATOM 1014 H2' ADE A 38 63.847 67.333 19.737 1.00 0.00 SBOX ATOM 1015 O3' ADE A 38 62.075 66.026 20.700 1.00 0.00 SBOX O ATOM 1016 P CYT A 39 60.941 66.450 21.769 1.00 0.00 SBOX P ATOM 1017 O1P CYT A 39 59.718 65.692 21.445 1.00 0.00 SBOX ATOM 1018 O2P CYT A 39 61.461 66.357 23.194 1.00 0.00 SBOX ATOM 1019 O5' CYT A 39 60.711 67.982 21.430 1.00 0.00 SBOX O ATOM 1020 C5' CYT A 39 61.717 68.968 21.760 1.00 0.00 SBOX C ATOM 1021 H5' CYT A 39 62.660 68.589 21.364 1.00 0.00 SBOX ATOM 1022 H5'' CYT A 39 61.834 69.114 22.833 1.00 0.00 SBOX ATOM 1023 C4' CYT A 39 61.482 70.301 21.150 1.00 0.00 SBOX C ATOM 1024 H4' CYT A 39 62.369 70.877 21.413 1.00 0.00 SBOX ATOM 1025 O4' CYT A 39 61.417 70.017 19.782 1.00 0.00 SBOX O ATOM 1026 C1' CYT A 39 60.772 71.057 19.236 1.00 0.00 SBOX C ATOM 1027 H1' CYT A 39 61.432 71.652 18.605 1.00 0.00 SBOX ATOM 1028 N1 CYT A 39 59.623 70.520 18.376 1.00 0.00 SBOX N ATOM 1029 C6 CYT A 39 59.108 69.246 18.562 1.00 0.00 SBOX C ATOM 1030 H6 CYT A 39 59.544 68.509 19.220 1.00 0.00 SBOX ATOM 1031 C5 CYT A 39 57.948 68.875 17.905 1.00 0.00 SBOX C ATOM 1032 H5 CYT A 39 57.570 67.868 18.001 1.00 0.00 SBOX ATOM 1033 C4 CYT A 39 57.509 69.742 16.872 1.00 0.00 SBOX C ATOM 1034 N4 CYT A 39 56.645 69.256 15.983 1.00 0.00 SBOX N ATOM 1035 H41 CYT A 39 56.364 69.833 15.203 1.00 0.00 SBOX ATOM 1036 H42 CYT A 39 56.623 68.266 15.784 1.00 0.00 SBOX ATOM 1037 N3 CYT A 39 58.013 70.946 16.681 1.00 0.00 SBOX N ATOM 1038 C2 CYT A 39 59.031 71.413 17.472 1.00 0.00 SBOX C ATOM 1039 O2 CYT A 39 59.366 72.575 17.349 1.00 0.00 SBOX O ATOM 1040 C3' CYT A 39 60.281 71.132 21.559 1.00 0.00 SBOX C ATOM 1041 H3' CYT A 39 59.390 70.513 21.663 1.00 0.00 SBOX ATOM 1042 C2' CYT A 39 60.298 72.025 20.351 1.00 0.00 SBOX C ATOM 1043 H2'' CYT A 39 59.330 72.470 20.119 1.00 0.00 SBOX ATOM 1044 O2' CYT A 39 61.216 73.117 20.460 1.00 0.00 SBOX O ATOM 1045 H2' CYT A 39 61.218 73.338 21.394 1.00 0.00 SBOX ATOM 1046 O3' CYT A 39 60.538 71.854 22.762 1.00 0.00 SBOX O ATOM 1047 P CYT A 40 59.460 72.872 23.478 1.00 0.00 SBOX P ATOM 1048 O1P CYT A 40 58.453 71.997 24.025 1.00 0.00 SBOX ATOM 1049 O2P CYT A 40 60.156 73.845 24.386 1.00 0.00 SBOX ATOM 1050 O5' CYT A 40 58.559 73.695 22.397 1.00 0.00 SBOX O ATOM 1051 C5' CYT A 40 58.794 75.094 22.157 1.00 0.00 SBOX C ATOM 1052 H5' CYT A 40 59.812 75.221 21.787 1.00 0.00 SBOX ATOM 1053 H5'' CYT A 40 58.765 75.836 22.956 1.00 0.00 SBOX ATOM 1054 C4' CYT A 40 57.851 75.625 21.137 1.00 0.00 SBOX C ATOM 1055 H4' CYT A 40 58.159 76.650 20.931 1.00 0.00 SBOX ATOM 1056 O4' CYT A 40 57.768 74.986 19.863 1.00 0.00 SBOX O ATOM 1057 C1' CYT A 40 56.530 75.280 19.181 1.00 0.00 SBOX C ATOM 1058 H1' CYT A 40 56.610 75.983 18.351 1.00 0.00 SBOX ATOM 1059 N1 CYT A 40 55.771 74.000 18.741 1.00 0.00 SBOX N ATOM 1060 C6 CYT A 40 56.082 72.790 19.255 1.00 0.00 SBOX C ATOM 1061 H6 CYT A 40 56.774 72.581 20.058 1.00 0.00 SBOX ATOM 1062 C5 CYT A 40 55.468 71.656 18.772 1.00 0.00 SBOX C ATOM 1063 H5 CYT A 40 55.751 70.679 19.135 1.00 0.00 SBOX ATOM 1064 C4 CYT A 40 54.499 71.796 17.688 1.00 0.00 SBOX C ATOM 1065 N4 CYT A 40 53.934 70.753 17.145 1.00 0.00 SBOX N ATOM 1066 H41 CYT A 40 53.256 71.090 16.477 1.00 0.00 SBOX ATOM 1067 H42 CYT A 40 53.945 69.825 17.543 1.00 0.00 SBOX ATOM 1068 N3 CYT A 40 54.174 72.968 17.260 1.00 0.00 SBOX N ATOM 1069 C2 CYT A 40 54.780 74.091 17.810 1.00 0.00 SBOX C ATOM 1070 O2 CYT A 40 54.356 75.218 17.489 1.00 0.00 SBOX O ATOM 1071 C3' CYT A 40 56.357 75.615 21.617 1.00 0.00 SBOX C ATOM 1072 H3' CYT A 40 56.015 74.617 21.890 1.00 0.00 SBOX ATOM 1073 C2' CYT A 40 55.674 75.966 20.242 1.00 0.00 SBOX C ATOM 1074 H2'' CYT A 40 54.727 75.427 20.241 1.00 0.00 SBOX ATOM 1075 O2' CYT A 40 55.536 77.338 19.998 1.00 0.00 SBOX O ATOM 1076 H2' CYT A 40 54.924 77.707 20.640 1.00 0.00 SBOX ATOM 1077 O3' CYT A 40 55.980 76.516 22.613 1.00 0.00 SBOX O ATOM 1078 P CYT A 41 54.782 76.022 23.706 1.00 0.00 SBOX P ATOM 1079 O1P CYT A 41 55.011 74.634 24.157 1.00 0.00 SBOX ATOM 1080 O2P CYT A 41 54.724 77.089 24.762 1.00 0.00 SBOX ATOM 1081 O5' CYT A 41 53.420 76.090 22.884 1.00 0.00 SBOX O ATOM 1082 C5' CYT A 41 52.759 77.361 22.624 1.00 0.00 SBOX C ATOM 1083 H5' CYT A 41 53.452 78.202 22.646 1.00 0.00 SBOX ATOM 1084 H5'' CYT A 41 52.013 77.458 23.413 1.00 0.00 SBOX ATOM 1085 C4' CYT A 41 51.870 77.338 21.382 1.00 0.00 SBOX C ATOM 1086 H4' CYT A 41 51.626 78.392 21.254 1.00 0.00 SBOX ATOM 1087 O4' CYT A 41 52.448 76.732 20.143 1.00 0.00 SBOX O ATOM 1088 C1' CYT A 41 51.460 75.954 19.541 1.00 0.00 SBOX C ATOM 1089 H1' CYT A 41 51.425 76.235 18.489 1.00 0.00 SBOX ATOM 1090 N1 CYT A 41 51.572 74.463 19.751 1.00 0.00 SBOX N ATOM 1091 C6 CYT A 41 52.497 73.906 20.534 1.00 0.00 SBOX C ATOM 1092 H6 CYT A 41 53.154 74.503 21.149 1.00 0.00 SBOX ATOM 1093 C5 CYT A 41 52.564 72.538 20.669 1.00 0.00 SBOX C ATOM 1094 H5 CYT A 41 53.341 72.020 21.212 1.00 0.00 SBOX ATOM 1095 C4 CYT A 41 51.734 71.772 19.804 1.00 0.00 SBOX C ATOM 1096 N4 CYT A 41 51.917 70.498 19.601 1.00 0.00 SBOX N ATOM 1097 H41 CYT A 41 51.404 70.041 18.861 1.00 0.00 SBOX ATOM 1098 H42 CYT A 41 52.628 70.011 20.127 1.00 0.00 SBOX ATOM 1099 N3 CYT A 41 50.926 72.278 18.890 1.00 0.00 SBOX N ATOM 1100 C2 CYT A 41 50.817 73.628 18.887 1.00 0.00 SBOX C ATOM 1101 O2 CYT A 41 50.044 74.118 18.062 1.00 0.00 SBOX O ATOM 1102 C3' CYT A 41 50.439 76.671 21.616 1.00 0.00 SBOX C ATOM 1103 H3' CYT A 41 50.576 75.728 22.146 1.00 0.00 SBOX ATOM 1104 C2' CYT A 41 50.170 76.479 20.146 1.00 0.00 SBOX C ATOM 1105 H2'' CYT A 41 49.403 75.737 19.924 1.00 0.00 SBOX ATOM 1106 O2' CYT A 41 49.829 77.668 19.500 1.00 0.00 SBOX O ATOM 1107 H2' CYT A 41 50.581 78.258 19.589 1.00 0.00 SBOX ATOM 1108 O3' CYT A 41 49.396 77.409 22.231 1.00 0.00 SBOX O ATOM 1109 P GUA A 42 48.204 76.710 22.972 1.00 0.00 SBOX P ATOM 1110 O1P GUA A 42 48.930 75.944 24.005 1.00 0.00 SBOX ATOM 1111 O2P GUA A 42 47.370 77.838 23.343 1.00 0.00 SBOX ATOM 1112 O5' GUA A 42 47.460 75.737 21.967 1.00 0.00 SBOX O ATOM 1113 C5' GUA A 42 46.589 76.199 20.944 1.00 0.00 SBOX C ATOM 1114 H5' GUA A 42 47.186 76.852 20.308 1.00 0.00 SBOX ATOM 1115 H5'' GUA A 42 45.791 76.816 21.355 1.00 0.00 SBOX ATOM 1116 C4' GUA A 42 46.046 74.959 20.167 1.00 0.00 SBOX C ATOM 1117 H4' GUA A 42 45.405 75.403 19.405 1.00 0.00 SBOX ATOM 1118 O4' GUA A 42 47.085 74.159 19.540 1.00 0.00 SBOX O ATOM 1119 C1' GUA A 42 46.666 72.762 19.519 1.00 0.00 SBOX C ATOM 1120 H1' GUA A 42 46.798 72.296 18.542 1.00 0.00 SBOX ATOM 1121 N9 GUA A 42 47.582 72.024 20.390 1.00 0.00 SBOX N ATOM 1122 C8 GUA A 42 48.426 72.564 21.324 1.00 0.00 SBOX C ATOM 1123 H8 GUA A 42 48.338 73.574 21.696 1.00 0.00 SBOX ATOM 1124 N7 GUA A 42 49.331 71.748 21.807 1.00 0.00 SBOX N ATOM 1125 C5 GUA A 42 49.031 70.521 21.198 1.00 0.00 SBOX C ATOM 1126 C6 GUA A 42 49.547 69.182 21.352 1.00 0.00 SBOX C ATOM 1127 O6 GUA A 42 50.473 68.760 21.981 1.00 0.00 SBOX O ATOM 1128 N1 GUA A 42 48.972 68.244 20.540 1.00 0.00 SBOX N ATOM 1129 H1 GUA A 42 49.417 67.338 20.572 1.00 0.00 SBOX ATOM 1130 C2 GUA A 42 48.010 68.490 19.607 1.00 0.00 SBOX C ATOM 1131 N2 GUA A 42 47.385 67.362 19.387 1.00 0.00 SBOX N ATOM 1132 H21 GUA A 42 47.586 66.574 19.986 1.00 0.00 SBOX ATOM 1133 H22 GUA A 42 46.628 67.381 18.719 1.00 0.00 SBOX ATOM 1134 N3 GUA A 42 47.402 69.679 19.537 1.00 0.00 SBOX N ATOM 1135 C4 GUA A 42 47.944 70.702 20.295 1.00 0.00 SBOX C ATOM 1136 C3' GUA A 42 45.229 73.921 20.936 1.00 0.00 SBOX C ATOM 1137 H3' GUA A 42 45.874 73.656 21.775 1.00 0.00 SBOX ATOM 1138 C2' GUA A 42 45.322 72.717 19.994 1.00 0.00 SBOX C ATOM 1139 H2'' GUA A 42 45.201 71.793 20.560 1.00 0.00 SBOX ATOM 1140 O2' GUA A 42 44.457 72.734 18.784 1.00 0.00 SBOX O ATOM 1141 H2' GUA A 42 44.431 71.798 18.570 1.00 0.00 SBOX ATOM 1142 O3' GUA A 42 43.883 74.315 21.307 1.00 0.00 SBOX O ATOM 1143 P GUA A 43 42.935 73.445 22.243 1.00 0.00 SBOX P ATOM 1144 O1P GUA A 43 43.346 73.736 23.627 1.00 0.00 SBOX ATOM 1145 O2P GUA A 43 41.584 73.881 21.829 1.00 0.00 SBOX ATOM 1146 O5' GUA A 43 42.862 71.869 22.124 1.00 0.00 SBOX O ATOM 1147 C5' GUA A 43 42.019 71.171 21.222 1.00 0.00 SBOX C ATOM 1148 H5' GUA A 43 42.123 71.647 20.247 1.00 0.00 SBOX ATOM 1149 H5'' GUA A 43 40.990 71.193 21.582 1.00 0.00 SBOX ATOM 1150 C4' GUA A 43 42.320 69.662 21.037 1.00 0.00 SBOX C ATOM 1151 H4' GUA A 43 41.720 69.228 20.237 1.00 0.00 SBOX ATOM 1152 O4' GUA A 43 43.673 69.404 20.779 1.00 0.00 SBOX O ATOM 1153 C1' GUA A 43 44.045 68.188 21.364 1.00 0.00 SBOX C ATOM 1154 H1' GUA A 43 44.419 67.581 20.539 1.00 0.00 SBOX ATOM 1155 N9 GUA A 43 45.173 68.331 22.368 1.00 0.00 SBOX N ATOM 1156 C8 GUA A 43 45.799 69.529 22.806 1.00 0.00 SBOX C ATOM 1157 H8 GUA A 43 45.512 70.495 22.418 1.00 0.00 SBOX ATOM 1158 N7 GUA A 43 46.739 69.315 23.591 1.00 0.00 SBOX N ATOM 1159 C5 GUA A 43 46.789 67.885 23.801 1.00 0.00 SBOX C ATOM 1160 C6 GUA A 43 47.656 67.002 24.561 1.00 0.00 SBOX C ATOM 1161 O6 GUA A 43 48.600 67.317 25.294 1.00 0.00 SBOX O ATOM 1162 N1 GUA A 43 47.439 65.645 24.348 1.00 0.00 SBOX N ATOM 1163 H1 GUA A 43 47.949 65.034 24.969 1.00 0.00 SBOX ATOM 1164 C2 GUA A 43 46.456 65.212 23.550 1.00 0.00 SBOX C ATOM 1165 N2 GUA A 43 46.420 63.931 23.429 1.00 0.00 SBOX N ATOM 1166 H21 GUA A 43 47.009 63.339 23.996 1.00 0.00 SBOX ATOM 1167 H22 GUA A 43 45.776 63.408 22.853 1.00 0.00 SBOX ATOM 1168 N3 GUA A 43 45.616 65.954 22.813 1.00 0.00 SBOX N ATOM 1169 C4 GUA A 43 45.828 67.321 23.001 1.00 0.00 SBOX C ATOM 1170 C3' GUA A 43 41.924 68.732 22.228 1.00 0.00 SBOX C ATOM 1171 H3' GUA A 43 42.176 69.234 23.162 1.00 0.00 SBOX ATOM 1172 C2' GUA A 43 42.857 67.534 21.972 1.00 0.00 SBOX C ATOM 1173 H2'' GUA A 43 43.191 67.084 22.907 1.00 0.00 SBOX ATOM 1174 O2' GUA A 43 42.427 66.526 21.029 1.00 0.00 SBOX O ATOM 1175 H2' GUA A 43 42.655 65.642 21.327 1.00 0.00 SBOX ATOM 1176 O3' GUA A 43 40.541 68.403 22.150 1.00 0.00 SBOX O ATOM 1177 P CYT A 44 39.613 67.969 23.397 1.00 0.00 SBOX P ATOM 1178 O1P CYT A 44 40.038 68.905 24.475 1.00 0.00 SBOX ATOM 1179 O2P CYT A 44 38.205 68.054 22.893 1.00 0.00 SBOX ATOM 1180 O5' CYT A 44 39.983 66.399 23.865 1.00 0.00 SBOX O ATOM 1181 C5' CYT A 44 39.763 65.388 22.875 1.00 0.00 SBOX C ATOM 1182 H5' CYT A 44 40.059 65.625 21.853 1.00 0.00 SBOX ATOM 1183 H5'' CYT A 44 38.682 65.254 22.825 1.00 0.00 SBOX ATOM 1184 C4' CYT A 44 40.553 64.140 23.298 1.00 0.00 SBOX C ATOM 1185 H4' CYT A 44 40.241 63.388 22.573 1.00 0.00 SBOX ATOM 1186 O4' CYT A 44 41.938 64.436 23.163 1.00 0.00 SBOX O ATOM 1187 C1' CYT A 44 42.566 63.682 24.192 1.00 0.00 SBOX C ATOM 1188 H1' CYT A 44 43.355 63.076 23.747 1.00 0.00 SBOX ATOM 1189 N1 CYT A 44 43.375 64.540 25.170 1.00 0.00 SBOX N ATOM 1190 C6 CYT A 44 43.090 65.883 25.228 1.00 0.00 SBOX C ATOM 1191 H6 CYT A 44 42.388 66.298 24.520 1.00 0.00 SBOX ATOM 1192 C5 CYT A 44 43.826 66.679 26.084 1.00 0.00 SBOX C ATOM 1193 H5 CYT A 44 43.679 67.736 25.916 1.00 0.00 SBOX ATOM 1194 C4 CYT A 44 44.819 66.057 26.883 1.00 0.00 SBOX C ATOM 1195 N4 CYT A 44 45.672 66.870 27.544 1.00 0.00 SBOX N ATOM 1196 H41 CYT A 44 46.530 66.516 27.941 1.00 0.00 SBOX ATOM 1197 H42 CYT A 44 45.347 67.823 27.628 1.00 0.00 SBOX ATOM 1198 N3 CYT A 44 45.115 64.765 26.857 1.00 0.00 SBOX N ATOM 1199 C2 CYT A 44 44.334 63.983 26.034 1.00 0.00 SBOX C ATOM 1200 O2 CYT A 44 44.564 62.790 26.011 1.00 0.00 SBOX O ATOM 1201 C3' CYT A 44 40.240 63.602 24.689 1.00 0.00 SBOX C ATOM 1202 H3' CYT A 44 40.371 64.384 25.436 1.00 0.00 SBOX ATOM 1203 C2' CYT A 44 41.545 62.696 24.802 1.00 0.00 SBOX C ATOM 1204 H2'' CYT A 44 41.682 62.350 25.827 1.00 0.00 SBOX ATOM 1205 O2' CYT A 44 41.360 61.556 23.859 1.00 0.00 SBOX O ATOM 1206 H2' CYT A 44 41.981 60.860 24.087 1.00 0.00 SBOX ATOM 1207 O3' CYT A 44 39.032 62.782 24.822 1.00 0.00 SBOX O ATOM 1208 P ADE A 45 38.348 62.378 26.130 1.00 0.00 SBOX P ATOM 1209 O1P ADE A 45 37.990 63.661 26.804 1.00 0.00 SBOX ATOM 1210 O2P ADE A 45 37.369 61.344 25.795 1.00 0.00 SBOX ATOM 1211 O5' ADE A 45 39.455 61.742 27.093 1.00 0.00 SBOX O ATOM 1212 C5' ADE A 45 39.939 60.448 26.916 1.00 0.00 SBOX C ATOM 1213 H5' ADE A 45 40.138 60.217 25.869 1.00 0.00 SBOX ATOM 1214 H5'' ADE A 45 39.260 59.646 27.204 1.00 0.00 SBOX ATOM 1215 C4' ADE A 45 41.244 60.136 27.744 1.00 0.00 SBOX C ATOM 1216 H4' ADE A 45 41.718 59.164 27.605 1.00 0.00 SBOX ATOM 1217 O4' ADE A 45 42.265 61.090 27.495 1.00 0.00 SBOX O ATOM 1218 C1' ADE A 45 42.878 61.438 28.717 1.00 0.00 SBOX C ATOM 1219 H1' ADE A 45 43.961 61.384 28.613 1.00 0.00 SBOX ATOM 1220 N9 ADE A 45 42.678 62.925 28.930 1.00 0.00 SBOX N ATOM 1221 C8 ADE A 45 41.818 63.846 28.383 1.00 0.00 SBOX C ATOM 1222 H8 ADE A 45 40.923 63.539 27.862 1.00 0.00 SBOX ATOM 1223 N7 ADE A 45 42.179 65.087 28.678 1.00 0.00 SBOX N ATOM 1224 C5 ADE A 45 43.357 64.943 29.393 1.00 0.00 SBOX C ATOM 1225 C6 ADE A 45 44.161 65.782 30.135 1.00 0.00 SBOX C ATOM 1226 N6 ADE A 45 44.252 67.103 30.235 1.00 0.00 SBOX N ATOM 1227 H61 ADE A 45 44.965 67.495 30.834 1.00 0.00 SBOX ATOM 1228 H62 ADE A 45 43.559 67.642 29.735 1.00 0.00 SBOX ATOM 1229 N1 ADE A 45 45.209 65.338 30.826 1.00 0.00 SBOX N ATOM 1230 C2 ADE A 45 45.465 64.011 30.792 1.00 0.00 SBOX C ATOM 1231 H2 ADE A 45 46.300 63.637 31.367 1.00 0.00 SBOX ATOM 1232 N3 ADE A 45 44.593 63.075 30.334 1.00 0.00 SBOX N ATOM 1233 C4 ADE A 45 43.626 63.622 29.641 1.00 0.00 SBOX C ATOM 1234 C3' ADE A 45 40.902 60.262 29.270 1.00 0.00 SBOX C ATOM 1235 H3' ADE A 45 40.261 61.131 29.414 1.00 0.00 SBOX ATOM 1236 C2' ADE A 45 42.348 60.577 29.850 1.00 0.00 SBOX C ATOM 1237 H2'' ADE A 45 42.271 61.073 30.817 1.00 0.00 SBOX ATOM 1238 O2' ADE A 45 43.114 59.418 29.880 1.00 0.00 SBOX O ATOM 1239 H2' ADE A 45 43.951 59.710 30.249 1.00 0.00 SBOX ATOM 1240 O3' ADE A 45 40.250 59.092 29.741 1.00 0.00 SBOX O ATOM 1241 P ADE A 46 39.634 58.944 31.272 1.00 0.00 SBOX P ATOM 1242 O1P ADE A 46 38.560 59.907 31.396 1.00 0.00 SBOX ATOM 1243 O2P ADE A 46 39.306 57.551 31.301 1.00 0.00 SBOX ATOM 1244 O5' ADE A 46 40.868 59.244 32.267 1.00 0.00 SBOX O ATOM 1245 C5' ADE A 46 41.795 58.216 32.856 1.00 0.00 SBOX C ATOM 1246 H5' ADE A 46 42.614 57.963 32.182 1.00 0.00 SBOX ATOM 1247 H5'' ADE A 46 41.287 57.299 33.156 1.00 0.00 SBOX ATOM 1248 C4' ADE A 46 42.429 58.835 34.104 1.00 0.00 SBOX C ATOM 1249 H4' ADE A 46 43.280 58.217 34.390 1.00 0.00 SBOX ATOM 1250 O4' ADE A 46 42.997 60.126 33.751 1.00 0.00 SBOX O ATOM 1251 C1' ADE A 46 42.740 61.162 34.633 1.00 0.00 SBOX C ATOM 1252 H1' ADE A 46 43.677 61.539 35.042 1.00 0.00 SBOX ATOM 1253 N9 ADE A 46 41.934 62.243 33.993 1.00 0.00 SBOX N ATOM 1254 C8 ADE A 46 40.612 62.323 33.698 1.00 0.00 SBOX C ATOM 1255 H8 ADE A 46 40.057 61.397 33.674 1.00 0.00 SBOX ATOM 1256 N7 ADE A 46 40.170 63.469 33.243 1.00 0.00 SBOX N ATOM 1257 C5 ADE A 46 41.350 64.263 33.337 1.00 0.00 SBOX C ATOM 1258 C6 ADE A 46 41.679 65.638 33.047 1.00 0.00 SBOX C ATOM 1259 N6 ADE A 46 40.811 66.465 32.504 1.00 0.00 SBOX N ATOM 1260 H61 ADE A 46 41.088 67.409 32.276 1.00 0.00 SBOX ATOM 1261 H62 ADE A 46 39.879 66.162 32.256 1.00 0.00 SBOX ATOM 1262 N1 ADE A 46 42.904 66.125 33.287 1.00 0.00 SBOX N ATOM 1263 C2 ADE A 46 43.850 65.358 33.831 1.00 0.00 SBOX C ATOM 1264 H2 ADE A 46 44.840 65.787 33.885 1.00 0.00 SBOX ATOM 1265 N3 ADE A 46 43.697 64.039 34.113 1.00 0.00 SBOX N ATOM 1266 C4 ADE A 46 42.410 63.559 33.811 1.00 0.00 SBOX C ATOM 1267 C3' ADE A 46 41.430 59.131 35.204 1.00 0.00 SBOX C ATOM 1268 H3' ADE A 46 40.542 59.453 34.660 1.00 0.00 SBOX ATOM 1269 C2' ADE A 46 41.935 60.449 35.758 1.00 0.00 SBOX C ATOM 1270 H2'' ADE A 46 41.142 61.082 36.155 1.00 0.00 SBOX ATOM 1271 O2' ADE A 46 42.860 60.276 36.782 1.00 0.00 SBOX O ATOM 1272 H2' ADE A 46 43.226 59.390 36.741 1.00 0.00 SBOX ATOM 1273 O3' ADE A 46 41.223 58.214 36.266 1.00 0.00 SBOX O ATOM 1274 P CYT A 47 42.060 56.896 36.581 1.00 0.00 SBOX P ATOM 1275 O1P CYT A 47 41.445 56.348 37.824 1.00 0.00 SBOX ATOM 1276 O2P CYT A 47 42.045 56.062 35.359 1.00 0.00 SBOX ATOM 1277 O5' CYT A 47 43.587 57.362 36.903 1.00 0.00 SBOX O ATOM 1278 C5' CYT A 47 44.474 56.330 37.220 1.00 0.00 SBOX C ATOM 1279 H5' CYT A 47 44.291 55.600 36.431 1.00 0.00 SBOX ATOM 1280 H5'' CYT A 47 44.208 55.941 38.203 1.00 0.00 SBOX ATOM 1281 C4' CYT A 47 45.893 56.842 37.335 1.00 0.00 SBOX C ATOM 1282 H4' CYT A 47 46.514 55.977 37.567 1.00 0.00 SBOX ATOM 1283 O4' CYT A 47 46.458 57.428 36.099 1.00 0.00 SBOX O ATOM 1284 C1' CYT A 47 47.493 58.303 36.503 1.00 0.00 SBOX C ATOM 1285 H1' CYT A 47 48.450 57.858 36.232 1.00 0.00 SBOX ATOM 1286 N1 CYT A 47 47.318 59.559 35.719 1.00 0.00 SBOX N ATOM 1287 C6 CYT A 47 46.330 59.809 34.823 1.00 0.00 SBOX C ATOM 1288 H6 CYT A 47 45.597 59.078 34.516 1.00 0.00 SBOX ATOM 1289 C5 CYT A 47 46.137 61.056 34.279 1.00 0.00 SBOX C ATOM 1290 H5 CYT A 47 45.282 61.151 33.626 1.00 0.00 SBOX ATOM 1291 C4 CYT A 47 46.958 62.118 34.742 1.00 0.00 SBOX C ATOM 1292 N4 CYT A 47 46.576 63.303 34.619 1.00 0.00 SBOX N ATOM 1293 H41 CYT A 47 47.166 64.053 34.950 1.00 0.00 SBOX ATOM 1294 H42 CYT A 47 45.793 63.421 33.992 1.00 0.00 SBOX ATOM 1295 N3 CYT A 47 47.998 61.863 35.498 1.00 0.00 SBOX N ATOM 1296 C2 CYT A 47 48.199 60.661 36.038 1.00 0.00 SBOX C ATOM 1297 O2 CYT A 47 49.186 60.498 36.731 1.00 0.00 SBOX O ATOM 1298 C3' CYT A 47 46.062 57.953 38.403 1.00 0.00 SBOX C ATOM 1299 H3' CYT A 47 45.429 58.819 38.213 1.00 0.00 SBOX ATOM 1300 C2' CYT A 47 47.392 58.343 38.002 1.00 0.00 SBOX C ATOM 1301 H2'' CYT A 47 47.546 59.318 38.466 1.00 0.00 SBOX ATOM 1302 O2' CYT A 47 48.458 57.477 38.402 1.00 0.00 SBOX O ATOM 1303 H2' CYT A 47 49.258 57.999 38.310 1.00 0.00 SBOX ATOM 1304 O3' CYT A 47 46.010 57.338 39.662 1.00 0.00 SBOX O ATOM 1305 P CYT A 48 45.462 57.907 40.968 1.00 0.00 SBOX P ATOM 1306 O1P CYT A 48 44.251 58.641 40.658 1.00 0.00 SBOX ATOM 1307 O2P CYT A 48 45.523 56.853 42.020 1.00 0.00 SBOX ATOM 1308 O5' CYT A 48 46.580 58.869 41.411 1.00 0.00 SBOX O ATOM 1309 C5' CYT A 48 47.957 58.528 41.697 1.00 0.00 SBOX C ATOM 1310 H5' CYT A 48 48.277 57.781 40.971 1.00 0.00 SBOX ATOM 1311 H5'' CYT A 48 47.910 58.090 42.693 1.00 0.00 SBOX ATOM 1312 C4' CYT A 48 48.907 59.737 41.776 1.00 0.00 SBOX C ATOM 1313 H4' CYT A 48 49.722 59.280 42.336 1.00 0.00 SBOX ATOM 1314 O4' CYT A 48 49.465 60.247 40.603 1.00 0.00 SBOX O ATOM 1315 C1' CYT A 48 49.641 61.613 40.736 1.00 0.00 SBOX C ATOM 1316 H1' CYT A 48 50.638 61.951 40.453 1.00 0.00 SBOX ATOM 1317 N1 CYT A 48 48.595 62.379 40.001 1.00 0.00 SBOX N ATOM 1318 C6 CYT A 48 47.437 61.710 39.548 1.00 0.00 SBOX C ATOM 1319 H6 CYT A 48 47.226 60.748 39.991 1.00 0.00 SBOX ATOM 1320 C5 CYT A 48 46.580 62.328 38.737 1.00 0.00 SBOX C ATOM 1321 H5 CYT A 48 45.665 61.917 38.338 1.00 0.00 SBOX ATOM 1322 C4 CYT A 48 46.855 63.706 38.357 1.00 0.00 SBOX C ATOM 1323 N4 CYT A 48 46.294 64.416 37.505 1.00 0.00 SBOX N ATOM 1324 H41 CYT A 48 46.803 65.275 37.354 1.00 0.00 SBOX ATOM 1325 H42 CYT A 48 45.482 64.060 37.021 1.00 0.00 SBOX ATOM 1326 N3 CYT A 48 47.900 64.350 38.837 1.00 0.00 SBOX N ATOM 1327 C2 CYT A 48 48.750 63.730 39.675 1.00 0.00 SBOX C ATOM 1328 O2 CYT A 48 49.755 64.375 40.134 1.00 0.00 SBOX O ATOM 1329 C3' CYT A 48 48.424 60.954 42.637 1.00 0.00 SBOX C ATOM 1330 H3' CYT A 48 47.477 61.367 42.291 1.00 0.00 SBOX ATOM 1331 C2' CYT A 48 49.479 61.877 42.256 1.00 0.00 SBOX C ATOM 1332 H2'' CYT A 48 49.140 62.883 42.503 1.00 0.00 SBOX ATOM 1333 O2' CYT A 48 50.818 61.682 42.719 1.00 0.00 SBOX O ATOM 1334 H2' CYT A 48 51.306 62.372 42.263 1.00 0.00 SBOX ATOM 1335 O3' CYT A 48 48.330 60.677 44.009 1.00 0.00 SBOX O ATOM 1336 P ADE A 49 47.553 61.597 45.025 1.00 0.00 SBOX P ATOM 1337 O1P ADE A 49 46.162 61.511 44.511 1.00 0.00 SBOX ATOM 1338 O2P ADE A 49 47.742 61.194 46.482 1.00 0.00 SBOX ATOM 1339 O5' ADE A 49 47.944 63.119 44.832 1.00 0.00 SBOX O ATOM 1340 C5' ADE A 49 49.244 63.490 45.251 1.00 0.00 SBOX C ATOM 1341 H5' ADE A 49 49.961 62.802 44.803 1.00 0.00 SBOX ATOM 1342 H5'' ADE A 49 49.293 63.438 46.339 1.00 0.00 SBOX ATOM 1343 C4' ADE A 49 49.636 64.961 44.897 1.00 0.00 SBOX C ATOM 1344 H4' ADE A 49 50.602 65.259 45.305 1.00 0.00 SBOX ATOM 1345 O4' ADE A 49 49.650 65.221 43.502 1.00 0.00 SBOX O ATOM 1346 C1' ADE A 49 48.963 66.475 43.245 1.00 0.00 SBOX C ATOM 1347 H1' ADE A 49 49.581 67.139 42.641 1.00 0.00 SBOX ATOM 1348 N9 ADE A 49 47.797 66.329 42.437 1.00 0.00 SBOX N ATOM 1349 C8 ADE A 49 47.239 65.149 41.976 1.00 0.00 SBOX C ATOM 1350 H8 ADE A 49 47.408 64.260 42.566 1.00 0.00 SBOX ATOM 1351 N7 ADE A 49 46.152 65.341 41.328 1.00 0.00 SBOX N ATOM 1352 C5 ADE A 49 46.123 66.717 41.116 1.00 0.00 SBOX C ATOM 1353 C6 ADE A 49 45.378 67.652 40.361 1.00 0.00 SBOX C ATOM 1354 N6 ADE A 49 44.489 67.345 39.464 1.00 0.00 SBOX N ATOM 1355 H61 ADE A 49 44.226 68.034 38.774 1.00 0.00 SBOX ATOM 1356 H62 ADE A 49 44.397 66.367 39.231 1.00 0.00 SBOX ATOM 1357 N1 ADE A 49 45.796 68.916 40.186 1.00 0.00 SBOX N ATOM 1358 C2 ADE A 49 46.804 69.372 40.937 1.00 0.00 SBOX C ATOM 1359 H2 ADE A 49 46.990 70.436 40.967 1.00 0.00 SBOX ATOM 1360 N3 ADE A 49 47.461 68.636 41.830 1.00 0.00 SBOX N ATOM 1361 C4 ADE A 49 47.137 67.356 41.800 1.00 0.00 SBOX C ATOM 1362 C3' ADE A 49 48.621 65.952 45.539 1.00 0.00 SBOX C ATOM 1363 H3' ADE A 49 47.602 65.572 45.469 1.00 0.00 SBOX ATOM 1364 C2' ADE A 49 48.781 67.139 44.574 1.00 0.00 SBOX C ATOM 1365 H2'' ADE A 49 47.959 67.854 44.594 1.00 0.00 SBOX ATOM 1366 O2' ADE A 49 49.949 67.813 44.882 1.00 0.00 SBOX O ATOM 1367 H2' ADE A 49 50.161 67.445 45.743 1.00 0.00 SBOX ATOM 1368 O3' ADE A 49 48.927 66.125 46.931 1.00 0.00 SBOX O ATOM 1369 P GUA A 50 47.839 66.787 47.987 1.00 0.00 SBOX P ATOM 1370 O1P GUA A 50 46.977 65.682 48.464 1.00 0.00 SBOX ATOM 1371 O2P GUA A 50 48.663 67.505 48.929 1.00 0.00 SBOX ATOM 1372 O5' GUA A 50 46.991 67.863 47.132 1.00 0.00 SBOX O ATOM 1373 C5' GUA A 50 45.657 67.876 47.281 1.00 0.00 SBOX C ATOM 1374 H5' GUA A 50 45.493 67.869 48.359 1.00 0.00 SBOX ATOM 1375 H5'' GUA A 50 45.334 66.896 46.929 1.00 0.00 SBOX ATOM 1376 C4' GUA A 50 45.059 69.083 46.576 1.00 0.00 SBOX C ATOM 1377 H4' GUA A 50 45.631 69.976 46.827 1.00 0.00 SBOX ATOM 1378 O4' GUA A 50 45.252 68.919 45.172 1.00 0.00 SBOX O ATOM 1379 C1' GUA A 50 44.226 69.571 44.427 1.00 0.00 SBOX C ATOM 1380 H1' GUA A 50 44.607 70.391 43.818 1.00 0.00 SBOX ATOM 1381 N9 GUA A 50 43.687 68.478 43.594 1.00 0.00 SBOX N ATOM 1382 C8 GUA A 50 43.706 67.101 43.783 1.00 0.00 SBOX C ATOM 1383 H8 GUA A 50 44.190 66.594 44.605 1.00 0.00 SBOX ATOM 1384 N7 GUA A 50 42.858 66.484 42.907 1.00 0.00 SBOX N ATOM 1385 C5 GUA A 50 42.455 67.517 42.082 1.00 0.00 SBOX C ATOM 1386 C6 GUA A 50 41.529 67.570 40.954 1.00 0.00 SBOX C ATOM 1387 O6 GUA A 50 41.067 66.622 40.254 1.00 0.00 SBOX O ATOM 1388 N1 GUA A 50 41.335 68.775 40.340 1.00 0.00 SBOX N ATOM 1389 H1 GUA A 50 41.017 68.803 39.382 1.00 0.00 SBOX ATOM 1390 C2 GUA A 50 41.877 69.892 40.857 1.00 0.00 SBOX C ATOM 1391 N2 GUA A 50 41.609 70.880 40.111 1.00 0.00 SBOX N ATOM 1392 H21 GUA A 50 40.927 70.933 39.368 1.00 0.00 SBOX ATOM 1393 H22 GUA A 50 41.910 71.803 40.389 1.00 0.00 SBOX ATOM 1394 N3 GUA A 50 42.548 69.958 41.980 1.00 0.00 SBOX N ATOM 1395 C4 GUA A 50 42.845 68.753 42.561 1.00 0.00 SBOX C ATOM 1396 C3' GUA A 50 43.545 69.140 46.663 1.00 0.00 SBOX C ATOM 1397 H3' GUA A 50 43.148 68.178 46.339 1.00 0.00 SBOX ATOM 1398 C2' GUA A 50 43.295 70.161 45.478 1.00 0.00 SBOX C ATOM 1399 H2'' GUA A 50 42.280 70.025 45.104 1.00 0.00 SBOX ATOM 1400 O2' GUA A 50 43.700 71.536 45.774 1.00 0.00 SBOX O ATOM 1401 H2' GUA A 50 43.184 72.228 45.353 1.00 0.00 SBOX ATOM 1402 O3' GUA A 50 43.241 69.475 48.033 1.00 0.00 SBOX O ATOM 1403 P ADE A 51 42.278 68.463 48.868 1.00 0.00 SBOX P ATOM 1404 O1P ADE A 51 42.546 67.095 48.432 1.00 0.00 SBOX ATOM 1405 O2P ADE A 51 42.376 68.920 50.311 1.00 0.00 SBOX ATOM 1406 O5' ADE A 51 40.916 68.975 48.384 1.00 0.00 SBOX O ATOM 1407 C5' ADE A 51 39.841 68.040 48.159 1.00 0.00 SBOX C ATOM 1408 H5' ADE A 51 39.727 67.344 48.989 1.00 0.00 SBOX ATOM 1409 H5'' ADE A 51 40.013 67.464 47.249 1.00 0.00 SBOX ATOM 1410 C4' ADE A 51 38.517 68.796 47.965 1.00 0.00 SBOX C ATOM 1411 H4' ADE A 51 37.691 68.091 47.872 1.00 0.00 SBOX ATOM 1412 O4' ADE A 51 38.230 69.672 49.049 1.00 0.00 SBOX O ATOM 1413 C1' ADE A 51 37.936 70.995 48.523 1.00 0.00 SBOX C ATOM 1414 H1' ADE A 51 37.077 71.337 49.100 1.00 0.00 SBOX ATOM 1415 N9 ADE A 51 38.982 72.054 48.641 1.00 0.00 SBOX N ATOM 1416 C8 ADE A 51 40.313 71.960 48.818 1.00 0.00 SBOX C ATOM 1417 H8 ADE A 51 40.872 71.131 49.227 1.00 0.00 SBOX ATOM 1418 N7 ADE A 51 40.921 73.094 48.609 1.00 0.00 SBOX N ATOM 1419 C5 ADE A 51 39.897 74.011 48.374 1.00 0.00 SBOX C ATOM 1420 C6 ADE A 51 39.704 75.407 48.255 1.00 0.00 SBOX C ATOM 1421 N6 ADE A 51 40.666 76.236 48.348 1.00 0.00 SBOX N ATOM 1422 H61 ADE A 51 40.496 77.227 48.254 1.00 0.00 SBOX ATOM 1423 H62 ADE A 51 41.638 75.961 48.366 1.00 0.00 SBOX ATOM 1424 N1 ADE A 51 38.566 75.960 48.127 1.00 0.00 SBOX N ATOM 1425 C2 ADE A 51 37.434 75.202 48.153 1.00 0.00 SBOX C ATOM 1426 H2 ADE A 51 36.477 75.684 48.021 1.00 0.00 SBOX ATOM 1427 N3 ADE A 51 37.410 73.908 48.368 1.00 0.00 SBOX N ATOM 1428 C4 ADE A 51 38.665 73.327 48.449 1.00 0.00 SBOX C ATOM 1429 C3' ADE A 51 38.541 69.673 46.689 1.00 0.00 SBOX C ATOM 1430 H3' ADE A 51 39.557 70.040 46.547 1.00 0.00 SBOX ATOM 1431 C2' ADE A 51 37.582 70.792 47.065 1.00 0.00 SBOX C ATOM 1432 H2'' ADE A 51 37.731 71.705 46.487 1.00 0.00 SBOX ATOM 1433 O2' ADE A 51 36.212 70.383 46.938 1.00 0.00 SBOX O ATOM 1434 H2' ADE A 51 36.355 69.633 46.357 1.00 0.00 SBOX ATOM 1435 O3' ADE A 51 37.942 69.087 45.480 1.00 0.00 SBOX O ATOM 1436 P ADE A 52 38.791 68.069 44.596 1.00 0.00 SBOX P ATOM 1437 O1P ADE A 52 40.193 68.512 44.586 1.00 0.00 SBOX ATOM 1438 O2P ADE A 52 38.502 66.732 45.039 1.00 0.00 SBOX ATOM 1439 O5' ADE A 52 38.144 68.255 43.077 1.00 0.00 SBOX O ATOM 1440 C5' ADE A 52 38.653 69.302 42.164 1.00 0.00 SBOX C ATOM 1441 H5' ADE A 52 38.365 69.049 41.144 1.00 0.00 SBOX ATOM 1442 H5'' ADE A 52 39.718 69.501 42.279 1.00 0.00 SBOX ATOM 1443 C4' ADE A 52 37.949 70.678 42.379 1.00 0.00 SBOX C ATOM 1444 H4' ADE A 52 36.878 70.536 42.232 1.00 0.00 SBOX ATOM 1445 O4' ADE A 52 37.849 71.210 43.635 1.00 0.00 SBOX O ATOM 1446 C1' ADE A 52 38.048 72.663 43.593 1.00 0.00 SBOX C ATOM 1447 H1' ADE A 52 37.335 73.194 44.224 1.00 0.00 SBOX ATOM 1448 N9 ADE A 52 39.314 73.138 44.137 1.00 0.00 SBOX N ATOM 1449 C8 ADE A 52 40.415 72.358 44.352 1.00 0.00 SBOX C ATOM 1450 H8 ADE A 52 40.433 71.314 44.076 1.00 0.00 SBOX ATOM 1451 N7 ADE A 52 41.454 73.049 44.753 1.00 0.00 SBOX N ATOM 1452 C5 ADE A 52 40.983 74.411 44.892 1.00 0.00 SBOX C ATOM 1453 C6 ADE A 52 41.455 75.672 45.153 1.00 0.00 SBOX C ATOM 1454 N6 ADE A 52 42.666 75.914 45.631 1.00 0.00 SBOX N ATOM 1455 H61 ADE A 52 42.910 76.855 45.903 1.00 0.00 SBOX ATOM 1456 H62 ADE A 52 43.320 75.167 45.815 1.00 0.00 SBOX ATOM 1457 N1 ADE A 52 40.746 76.761 45.057 1.00 0.00 SBOX N ATOM 1458 C2 ADE A 52 39.511 76.591 44.669 1.00 0.00 SBOX C ATOM 1459 H2 ADE A 52 38.976 77.510 44.859 1.00 0.00 SBOX ATOM 1460 N3 ADE A 52 38.892 75.509 44.272 1.00 0.00 SBOX N ATOM 1461 C4 ADE A 52 39.660 74.419 44.365 1.00 0.00 SBOX C ATOM 1462 C3' ADE A 52 38.350 71.853 41.425 1.00 0.00 SBOX C ATOM 1463 H3' ADE A 52 39.426 71.823 41.252 1.00 0.00 SBOX ATOM 1464 C2' ADE A 52 37.859 73.125 42.168 1.00 0.00 SBOX C ATOM 1465 H2'' ADE A 52 38.450 73.998 41.892 1.00 0.00 SBOX ATOM 1466 O2' ADE A 52 36.469 73.250 42.008 1.00 0.00 SBOX O ATOM 1467 H2' ADE A 52 36.344 73.123 41.065 1.00 0.00 SBOX ATOM 1468 O3' ADE A 52 37.543 71.761 40.234 1.00 0.00 SBOX O ATOM 1469 P ADE A 53 38.107 72.244 38.836 1.00 0.00 SBOX P ATOM 1470 O1P ADE A 53 39.300 71.427 38.499 1.00 0.00 SBOX ATOM 1471 O2P ADE A 53 36.945 72.211 37.922 1.00 0.00 SBOX ATOM 1472 O5' ADE A 53 38.579 73.685 38.848 1.00 0.00 SBOX O ATOM 1473 C5' ADE A 53 37.978 74.840 38.247 1.00 0.00 SBOX C ATOM 1474 H5' ADE A 53 36.950 74.951 38.591 1.00 0.00 SBOX ATOM 1475 H5'' ADE A 53 37.928 74.672 37.171 1.00 0.00 SBOX ATOM 1476 C4' ADE A 53 38.886 76.149 38.620 1.00 0.00 SBOX C ATOM 1477 H4' ADE A 53 38.271 76.994 38.312 1.00 0.00 SBOX ATOM 1478 O4' ADE A 53 39.125 76.271 40.015 1.00 0.00 SBOX O ATOM 1479 C1' ADE A 53 40.500 76.668 40.206 1.00 0.00 SBOX C ATOM 1480 H1' ADE A 53 40.594 77.529 40.867 1.00 0.00 SBOX ATOM 1481 N9 ADE A 53 41.348 75.496 40.704 1.00 0.00 SBOX N ATOM 1482 C8 ADE A 53 41.338 74.195 40.335 1.00 0.00 SBOX C ATOM 1483 H8 ADE A 53 40.697 73.869 39.528 1.00 0.00 SBOX ATOM 1484 N7 ADE A 53 42.077 73.488 41.027 1.00 0.00 SBOX N ATOM 1485 C5 ADE A 53 42.794 74.407 41.857 1.00 0.00 SBOX C ATOM 1486 C6 ADE A 53 43.899 74.339 42.668 1.00 0.00 SBOX C ATOM 1487 N6 ADE A 53 44.481 73.273 43.076 1.00 0.00 SBOX N ATOM 1488 H61 ADE A 53 45.256 73.348 43.719 1.00 0.00 SBOX ATOM 1489 H62 ADE A 53 44.136 72.386 42.739 1.00 0.00 SBOX ATOM 1490 N1 ADE A 53 44.607 75.456 43.014 1.00 0.00 SBOX N ATOM 1491 C2 ADE A 53 44.026 76.610 42.655 1.00 0.00 SBOX C ATOM 1492 H2 ADE A 53 44.549 77.452 43.081 1.00 0.00 SBOX ATOM 1493 N3 ADE A 53 42.933 76.852 41.958 1.00 0.00 SBOX N ATOM 1494 C4 ADE A 53 42.359 75.678 41.623 1.00 0.00 SBOX C ATOM 1495 C3' ADE A 53 40.215 76.151 37.902 1.00 0.00 SBOX C ATOM 1496 H3' ADE A 53 40.613 75.141 37.809 1.00 0.00 SBOX ATOM 1497 C2' ADE A 53 41.000 77.065 38.790 1.00 0.00 SBOX C ATOM 1498 H2'' ADE A 53 42.079 76.991 38.655 1.00 0.00 SBOX ATOM 1499 O2' ADE A 53 40.567 78.410 38.634 1.00 0.00 SBOX O ATOM 1500 H2' ADE A 53 40.526 78.665 37.709 1.00 0.00 SBOX ATOM 1501 O3' ADE A 53 40.138 76.787 36.612 1.00 0.00 SBOX O ATOM 1502 P URA A 54 41.134 76.182 35.500 1.00 0.00 SBOX P ATOM 1503 O1P URA A 54 40.583 74.868 35.141 1.00 0.00 SBOX ATOM 1504 O2P URA A 54 41.145 77.178 34.401 1.00 0.00 SBOX ATOM 1505 O5' URA A 54 42.574 75.969 36.144 1.00 0.00 SBOX O ATOM 1506 C5' URA A 54 43.547 77.024 36.286 1.00 0.00 SBOX C ATOM 1507 H5' URA A 54 43.189 77.908 36.813 1.00 0.00 SBOX ATOM 1508 H5'' URA A 54 43.949 77.252 35.299 1.00 0.00 SBOX ATOM 1509 C4' URA A 54 44.739 76.492 37.094 1.00 0.00 SBOX C ATOM 1510 H4' URA A 54 45.233 77.389 37.467 1.00 0.00 SBOX ATOM 1511 O4' URA A 54 44.207 75.739 38.180 1.00 0.00 SBOX O ATOM 1512 C1' URA A 54 45.013 74.668 38.388 1.00 0.00 SBOX C ATOM 1513 H1' URA A 54 45.387 74.639 39.412 1.00 0.00 SBOX ATOM 1514 N1 URA A 54 44.448 73.308 38.135 1.00 0.00 SBOX N ATOM 1515 C6 URA A 54 43.802 73.011 36.987 1.00 0.00 SBOX C ATOM 1516 H6 URA A 54 43.528 73.763 36.262 1.00 0.00 SBOX ATOM 1517 C5 URA A 54 43.339 71.751 36.783 1.00 0.00 SBOX C ATOM 1518 H5 URA A 54 42.785 71.377 35.935 1.00 0.00 SBOX ATOM 1519 C4 URA A 54 43.664 70.664 37.692 1.00 0.00 SBOX C ATOM 1520 O4 URA A 54 43.367 69.465 37.556 1.00 0.00 SBOX O ATOM 1521 N3 URA A 54 44.456 71.061 38.736 1.00 0.00 SBOX N ATOM 1522 H3 URA A 54 44.772 70.294 39.313 1.00 0.00 SBOX ATOM 1523 C2 URA A 54 44.927 72.300 38.987 1.00 0.00 SBOX C ATOM 1524 O2 URA A 54 45.711 72.489 39.921 1.00 0.00 SBOX O ATOM 1525 C3' URA A 54 45.750 75.613 36.398 1.00 0.00 SBOX C ATOM 1526 H3' URA A 54 45.206 74.992 35.687 1.00 0.00 SBOX ATOM 1527 C2' URA A 54 46.256 74.901 37.618 1.00 0.00 SBOX C ATOM 1528 H2'' URA A 54 46.775 73.993 37.312 1.00 0.00 SBOX ATOM 1529 O2' URA A 54 47.150 75.798 38.301 1.00 0.00 SBOX O ATOM 1530 H2' URA A 54 47.492 76.387 37.624 1.00 0.00 SBOX ATOM 1531 O3' URA A 54 46.614 76.583 35.797 1.00 0.00 SBOX O ATOM 1532 P GUA A 55 47.799 76.109 34.861 1.00 0.00 SBOX P ATOM 1533 O1P GUA A 55 47.294 75.517 33.632 1.00 0.00 SBOX ATOM 1534 O2P GUA A 55 48.736 77.221 34.661 1.00 0.00 SBOX ATOM 1535 O5' GUA A 55 48.575 74.917 35.731 1.00 0.00 SBOX O ATOM 1536 C5' GUA A 55 49.733 75.280 36.562 1.00 0.00 SBOX C ATOM 1537 H5' GUA A 55 49.645 76.125 37.245 1.00 0.00 SBOX ATOM 1538 H5'' GUA A 55 50.521 75.516 35.847 1.00 0.00 SBOX ATOM 1539 C4' GUA A 55 50.300 74.165 37.448 1.00 0.00 SBOX C ATOM 1540 H4' GUA A 55 51.025 74.501 38.189 1.00 0.00 SBOX ATOM 1541 O4' GUA A 55 49.306 73.418 38.225 1.00 0.00 SBOX O ATOM 1542 C1' GUA A 55 49.746 72.104 38.322 1.00 0.00 SBOX C ATOM 1543 H1' GUA A 55 49.760 71.776 39.362 1.00 0.00 SBOX ATOM 1544 N9 GUA A 55 48.904 71.156 37.618 1.00 0.00 SBOX N ATOM 1545 C8 GUA A 55 47.940 71.294 36.710 1.00 0.00 SBOX C ATOM 1546 H8 GUA A 55 47.734 72.213 36.180 1.00 0.00 SBOX ATOM 1547 N7 GUA A 55 47.334 70.204 36.325 1.00 0.00 SBOX N ATOM 1548 C5 GUA A 55 47.833 69.319 37.217 1.00 0.00 SBOX C ATOM 1549 C6 GUA A 55 47.625 67.901 37.399 1.00 0.00 SBOX C ATOM 1550 O6 GUA A 55 46.864 67.148 36.809 1.00 0.00 SBOX O ATOM 1551 N1 GUA A 55 48.381 67.295 38.337 1.00 0.00 SBOX N ATOM 1552 H1 GUA A 55 48.338 66.286 38.360 1.00 0.00 SBOX ATOM 1553 C2 GUA A 55 49.253 67.962 39.179 1.00 0.00 SBOX C ATOM 1554 N2 GUA A 55 50.057 67.205 39.778 1.00 0.00 SBOX N ATOM 1555 H21 GUA A 55 49.865 66.220 39.884 1.00 0.00 SBOX ATOM 1556 H22 GUA A 55 50.953 67.640 39.949 1.00 0.00 SBOX ATOM 1557 N3 GUA A 55 49.631 69.197 38.964 1.00 0.00 SBOX N ATOM 1558 C4 GUA A 55 48.890 69.806 37.994 1.00 0.00 SBOX C ATOM 1559 C3' GUA A 55 51.116 73.183 36.731 1.00 0.00 SBOX C ATOM 1560 H3' GUA A 55 50.546 72.748 35.910 1.00 0.00 SBOX ATOM 1561 C2' GUA A 55 51.140 72.090 37.800 1.00 0.00 SBOX C ATOM 1562 H2'' GUA A 55 51.394 71.149 37.312 1.00 0.00 SBOX ATOM 1563 O2' GUA A 55 52.043 72.288 38.900 1.00 0.00 SBOX O ATOM 1564 H2' GUA A 55 52.126 71.440 39.342 1.00 0.00 SBOX ATOM 1565 O3' GUA A 55 52.404 73.643 36.312 1.00 0.00 SBOX O ATOM 1566 P GUA A 56 53.213 72.885 35.169 1.00 0.00 SBOX P ATOM 1567 O1P GUA A 56 52.261 72.840 34.043 1.00 0.00 SBOX ATOM 1568 O2P GUA A 56 54.520 73.541 34.939 1.00 0.00 SBOX ATOM 1569 O5' GUA A 56 53.486 71.285 35.529 1.00 0.00 SBOX O ATOM 1570 C5' GUA A 56 54.374 71.030 36.592 1.00 0.00 SBOX C ATOM 1571 H5' GUA A 56 54.110 71.769 37.348 1.00 0.00 SBOX ATOM 1572 H5'' GUA A 56 55.343 71.220 36.129 1.00 0.00 SBOX ATOM 1573 C4' GUA A 56 54.471 69.649 37.169 1.00 0.00 SBOX C ATOM 1574 H4' GUA A 56 55.307 69.810 37.850 1.00 0.00 SBOX ATOM 1575 O4' GUA A 56 53.290 69.286 37.855 1.00 0.00 SBOX O ATOM 1576 C1' GUA A 56 53.024 67.951 37.559 1.00 0.00 SBOX C ATOM 1577 H1' GUA A 56 52.677 67.387 38.425 1.00 0.00 SBOX ATOM 1578 N9 GUA A 56 51.853 67.663 36.647 1.00 0.00 SBOX N ATOM 1579 C8 GUA A 56 51.146 68.434 35.795 1.00 0.00 SBOX C ATOM 1580 H8 GUA A 56 51.543 69.401 35.521 1.00 0.00 SBOX ATOM 1581 N7 GUA A 56 50.308 67.894 35.022 1.00 0.00 SBOX N ATOM 1582 C5 GUA A 56 50.161 66.627 35.595 1.00 0.00 SBOX C ATOM 1583 C6 GUA A 56 49.276 65.543 35.199 1.00 0.00 SBOX C ATOM 1584 O6 GUA A 56 48.376 65.583 34.351 1.00 0.00 SBOX O ATOM 1585 N1 GUA A 56 49.619 64.389 35.875 1.00 0.00 SBOX N ATOM 1586 H1 GUA A 56 49.026 63.575 35.801 1.00 0.00 SBOX ATOM 1587 C2 GUA A 56 50.680 64.309 36.678 1.00 0.00 SBOX C ATOM 1588 N2 GUA A 56 50.803 63.049 37.137 1.00 0.00 SBOX N ATOM 1589 H21 GUA A 56 50.234 62.230 36.976 1.00 0.00 SBOX ATOM 1590 H22 GUA A 56 51.567 62.903 37.782 1.00 0.00 SBOX ATOM 1591 N3 GUA A 56 51.480 65.254 37.147 1.00 0.00 SBOX N ATOM 1592 C4 GUA A 56 51.190 66.414 36.508 1.00 0.00 SBOX C ATOM 1593 C3' GUA A 56 54.721 68.586 36.095 1.00 0.00 SBOX C ATOM 1594 H3' GUA A 56 54.067 68.779 35.245 1.00 0.00 SBOX ATOM 1595 C2' GUA A 56 54.342 67.416 37.049 1.00 0.00 SBOX C ATOM 1596 H2'' GUA A 56 54.343 66.536 36.406 1.00 0.00 SBOX ATOM 1597 O2' GUA A 56 55.192 67.071 38.099 1.00 0.00 SBOX O ATOM 1598 H2' GUA A 56 55.921 66.573 37.722 1.00 0.00 SBOX ATOM 1599 O3' GUA A 56 56.074 68.369 35.675 1.00 0.00 SBOX O ATOM 1600 P URA A 57 56.456 68.618 34.216 1.00 0.00 SBOX P ATOM 1601 O1P URA A 57 56.182 70.065 33.860 1.00 0.00 SBOX ATOM 1602 O2P URA A 57 57.772 67.974 34.135 1.00 0.00 SBOX ATOM 1603 O5' URA A 57 55.416 67.728 33.542 1.00 0.00 SBOX O ATOM 1604 C5' URA A 57 55.638 66.485 32.865 1.00 0.00 SBOX C ATOM 1605 H5' URA A 57 56.687 66.302 32.634 1.00 0.00 SBOX ATOM 1606 H5'' URA A 57 54.958 66.409 32.017 1.00 0.00 SBOX ATOM 1607 C4' URA A 57 55.227 65.245 33.636 1.00 0.00 SBOX C ATOM 1608 H4' URA A 57 55.964 65.140 34.432 1.00 0.00 SBOX ATOM 1609 O4' URA A 57 53.954 65.249 34.208 1.00 0.00 SBOX O ATOM 1610 C1' URA A 57 53.360 64.016 34.294 1.00 0.00 SBOX C ATOM 1611 H1' URA A 57 53.154 63.671 35.307 1.00 0.00 SBOX ATOM 1612 N1 URA A 57 52.067 63.942 33.585 1.00 0.00 SBOX N ATOM 1613 C6 URA A 57 51.568 64.971 32.849 1.00 0.00 SBOX C ATOM 1614 H6 URA A 57 52.118 65.891 32.719 1.00 0.00 SBOX ATOM 1615 C5 URA A 57 50.376 64.828 32.229 1.00 0.00 SBOX C ATOM 1616 H5 URA A 57 49.907 65.689 31.776 1.00 0.00 SBOX ATOM 1617 C4 URA A 57 49.669 63.631 32.146 1.00 0.00 SBOX C ATOM 1618 O4 URA A 57 48.649 63.375 31.452 1.00 0.00 SBOX O ATOM 1619 N3 URA A 57 50.144 62.667 32.912 1.00 0.00 SBOX N ATOM 1620 H3 URA A 57 49.823 61.748 32.642 1.00 0.00 SBOX ATOM 1621 C2 URA A 57 51.386 62.729 33.543 1.00 0.00 SBOX C ATOM 1622 O2 URA A 57 51.791 61.660 34.009 1.00 0.00 SBOX O ATOM 1623 C3' URA A 57 55.230 63.994 32.821 1.00 0.00 SBOX C ATOM 1624 H3' URA A 57 54.785 64.087 31.830 1.00 0.00 SBOX ATOM 1625 C2' URA A 57 54.410 63.071 33.656 1.00 0.00 SBOX C ATOM 1626 H2'' URA A 57 53.865 62.370 33.025 1.00 0.00 SBOX ATOM 1627 O2' URA A 57 55.074 62.504 34.782 1.00 0.00 SBOX O ATOM 1628 H2' URA A 57 55.522 61.702 34.502 1.00 0.00 SBOX ATOM 1629 O3' URA A 57 56.542 63.465 32.639 1.00 0.00 SBOX O ATOM 1630 P GUA A 58 57.031 62.922 31.197 1.00 0.00 SBOX P ATOM 1631 O1P GUA A 58 57.192 64.065 30.271 1.00 0.00 SBOX ATOM 1632 O2P GUA A 58 58.151 61.974 31.414 1.00 0.00 SBOX ATOM 1633 O5' GUA A 58 55.761 62.252 30.625 1.00 0.00 SBOX O ATOM 1634 C5' GUA A 58 55.273 60.997 31.021 1.00 0.00 SBOX C ATOM 1635 H5' GUA A 58 55.183 60.962 32.107 1.00 0.00 SBOX ATOM 1636 H5'' GUA A 58 55.970 60.201 30.757 1.00 0.00 SBOX ATOM 1637 C4' GUA A 58 53.927 60.515 30.411 1.00 0.00 SBOX C ATOM 1638 H4' GUA A 58 53.672 59.573 30.896 1.00 0.00 SBOX ATOM 1639 O4' GUA A 58 52.814 61.357 30.653 1.00 0.00 SBOX O ATOM 1640 C1' GUA A 58 51.689 61.080 29.820 1.00 0.00 SBOX C ATOM 1641 H1' GUA A 58 50.883 60.478 30.241 1.00 0.00 SBOX ATOM 1642 N9 GUA A 58 51.162 62.384 29.217 1.00 0.00 SBOX N ATOM 1643 C8 GUA A 58 51.760 63.589 29.338 1.00 0.00 SBOX C ATOM 1644 H8 GUA A 58 52.735 63.712 29.785 1.00 0.00 SBOX ATOM 1645 N7 GUA A 58 51.012 64.610 28.992 1.00 0.00 SBOX N ATOM 1646 C5 GUA A 58 49.792 63.965 28.642 1.00 0.00 SBOX C ATOM 1647 C6 GUA A 58 48.532 64.509 28.181 1.00 0.00 SBOX C ATOM 1648 O6 GUA A 58 48.173 65.637 28.119 1.00 0.00 SBOX O ATOM 1649 N1 GUA A 58 47.591 63.579 27.959 1.00 0.00 SBOX N ATOM 1650 H1 GUA A 58 46.677 63.912 27.689 1.00 0.00 SBOX ATOM 1651 C2 GUA A 58 47.762 62.287 27.992 1.00 0.00 SBOX C ATOM 1652 N2 GUA A 58 46.641 61.676 27.697 1.00 0.00 SBOX N ATOM 1653 H21 GUA A 58 45.972 62.184 27.136 1.00 0.00 SBOX ATOM 1654 H22 GUA A 58 46.767 60.683 27.831 1.00 0.00 SBOX ATOM 1655 N3 GUA A 58 48.904 61.717 28.381 1.00 0.00 SBOX N ATOM 1656 C4 GUA A 58 49.875 62.594 28.756 1.00 0.00 SBOX C ATOM 1657 C3' GUA A 58 53.902 60.362 28.970 1.00 0.00 SBOX C ATOM 1658 H3' GUA A 58 54.217 61.307 28.529 1.00 0.00 SBOX ATOM 1659 C2' GUA A 58 52.387 60.191 28.752 1.00 0.00 SBOX C ATOM 1660 H2'' GUA A 58 52.017 60.399 27.748 1.00 0.00 SBOX ATOM 1661 O2' GUA A 58 52.055 58.799 28.961 1.00 0.00 SBOX O ATOM 1662 H2' GUA A 58 52.814 58.323 28.616 1.00 0.00 SBOX ATOM 1663 O3' GUA A 58 54.684 59.305 28.560 1.00 0.00 SBOX O ATOM 1664 P CYT A 59 55.232 59.183 27.001 1.00 0.00 SBOX P ATOM 1665 O1P CYT A 59 56.051 60.366 26.712 1.00 0.00 SBOX ATOM 1666 O2P CYT A 59 55.706 57.817 26.882 1.00 0.00 SBOX ATOM 1667 O5' CYT A 59 53.837 59.232 26.169 1.00 0.00 SBOX O ATOM 1668 C5' CYT A 59 52.990 58.115 25.824 1.00 0.00 SBOX C ATOM 1669 H5' CYT A 59 52.762 57.546 26.725 1.00 0.00 SBOX ATOM 1670 H5'' CYT A 59 53.543 57.545 25.078 1.00 0.00 SBOX ATOM 1671 C4' CYT A 59 51.630 58.559 25.250 1.00 0.00 SBOX C ATOM 1672 H4' CYT A 59 51.039 57.648 25.154 1.00 0.00 SBOX ATOM 1673 O4' CYT A 59 50.800 59.400 26.068 1.00 0.00 SBOX O ATOM 1674 C1' CYT A 59 50.029 60.195 25.173 1.00 0.00 SBOX C ATOM 1675 H1' CYT A 59 48.974 60.033 25.392 1.00 0.00 SBOX ATOM 1676 N1 CYT A 59 50.427 61.643 25.313 1.00 0.00 SBOX N ATOM 1677 C6 CYT A 59 51.734 62.086 25.372 1.00 0.00 SBOX C ATOM 1678 H6 CYT A 59 52.512 61.340 25.447 1.00 0.00 SBOX ATOM 1679 C5 CYT A 59 51.987 63.414 25.302 1.00 0.00 SBOX C ATOM 1680 H5 CYT A 59 52.999 63.790 25.276 1.00 0.00 SBOX ATOM 1681 C4 CYT A 59 50.910 64.376 25.254 1.00 0.00 SBOX C ATOM 1682 N4 CYT A 59 51.197 65.557 25.482 1.00 0.00 SBOX N ATOM 1683 H41 CYT A 59 50.458 66.222 25.658 1.00 0.00 SBOX ATOM 1684 H42 CYT A 59 52.077 65.867 25.096 1.00 0.00 SBOX ATOM 1685 N3 CYT A 59 49.653 64.008 25.202 1.00 0.00 SBOX N ATOM 1686 C2 CYT A 59 49.432 62.630 25.102 1.00 0.00 SBOX C ATOM 1687 O2 CYT A 59 48.284 62.258 24.836 1.00 0.00 SBOX O ATOM 1688 C3' CYT A 59 51.649 59.182 23.808 1.00 0.00 SBOX C ATOM 1689 H3' CYT A 59 52.201 60.118 23.719 1.00 0.00 SBOX ATOM 1690 C2' CYT A 59 50.161 59.618 23.757 1.00 0.00 SBOX C ATOM 1691 H2'' CYT A 59 49.898 60.428 23.076 1.00 0.00 SBOX ATOM 1692 O2' CYT A 59 49.289 58.522 23.630 1.00 0.00 SBOX O ATOM 1693 H2' CYT A 59 48.539 58.712 23.062 1.00 0.00 SBOX ATOM 1694 O3' CYT A 59 52.053 58.237 22.774 1.00 0.00 SBOX O ATOM 1695 P CYT A 60 52.489 58.720 21.308 1.00 0.00 SBOX P ATOM 1696 O1P CYT A 60 53.555 59.682 21.601 1.00 0.00 SBOX ATOM 1697 O2P CYT A 60 52.872 57.514 20.480 1.00 0.00 SBOX ATOM 1698 O5' CYT A 60 51.229 59.445 20.637 1.00 0.00 SBOX O ATOM 1699 C5' CYT A 60 50.032 58.763 20.237 1.00 0.00 SBOX C ATOM 1700 H5' CYT A 60 49.642 58.218 21.096 1.00 0.00 SBOX ATOM 1701 H5'' CYT A 60 50.091 58.059 19.407 1.00 0.00 SBOX ATOM 1702 C4' CYT A 60 48.925 59.794 19.815 1.00 0.00 SBOX C ATOM 1703 H4' CYT A 60 48.026 59.240 19.546 1.00 0.00 SBOX ATOM 1704 O4' CYT A 60 48.695 60.750 20.889 1.00 0.00 SBOX O ATOM 1705 C1' CYT A 60 48.307 61.981 20.325 1.00 0.00 SBOX C ATOM 1706 H1' CYT A 60 47.248 62.236 20.363 1.00 0.00 SBOX ATOM 1707 N1 CYT A 60 49.184 63.142 20.913 1.00 0.00 SBOX N ATOM 1708 C6 CYT A 60 50.527 62.890 21.152 1.00 0.00 SBOX C ATOM 1709 H6 CYT A 60 50.877 61.891 20.939 1.00 0.00 SBOX ATOM 1710 C5 CYT A 60 51.310 63.924 21.535 1.00 0.00 SBOX C ATOM 1711 H5 CYT A 60 52.373 63.759 21.633 1.00 0.00 SBOX ATOM 1712 C4 CYT A 60 50.651 65.187 21.773 1.00 0.00 SBOX C ATOM 1713 N4 CYT A 60 51.400 66.182 22.109 1.00 0.00 SBOX N ATOM 1714 H41 CYT A 60 50.829 67.001 22.264 1.00 0.00 SBOX ATOM 1715 H42 CYT A 60 52.391 66.141 22.295 1.00 0.00 SBOX ATOM 1716 N3 CYT A 60 49.363 65.463 21.527 1.00 0.00 SBOX N ATOM 1717 C2 CYT A 60 48.625 64.464 20.995 1.00 0.00 SBOX C ATOM 1718 O2 CYT A 60 47.467 64.687 20.635 1.00 0.00 SBOX O ATOM 1719 C3' CYT A 60 49.208 60.600 18.560 1.00 0.00 SBOX C ATOM 1720 H3' CYT A 60 50.242 60.936 18.488 1.00 0.00 SBOX ATOM 1721 C2' CYT A 60 48.338 61.819 18.784 1.00 0.00 SBOX C ATOM 1722 H2'' CYT A 60 48.844 62.604 18.223 1.00 0.00 SBOX ATOM 1723 O2' CYT A 60 47.000 61.678 18.374 1.00 0.00 SBOX O ATOM 1724 H2' CYT A 60 47.120 61.202 17.549 1.00 0.00 SBOX ATOM 1725 O3' CYT A 60 48.793 59.904 17.459 1.00 0.00 SBOX O ATOM 1726 P ADE A 61 49.199 60.256 15.974 1.00 0.00 SBOX P ATOM 1727 O1P ADE A 61 48.452 61.440 15.511 1.00 0.00 SBOX ATOM 1728 O2P ADE A 61 50.669 60.149 15.830 1.00 0.00 SBOX ATOM 1729 O5' ADE A 61 48.552 59.093 15.106 1.00 0.00 SBOX O ATOM 1730 C5' ADE A 61 48.750 57.722 15.438 1.00 0.00 SBOX C ATOM 1731 H5' ADE A 61 48.247 57.529 16.386 1.00 0.00 SBOX ATOM 1732 H5'' ADE A 61 49.794 57.415 15.494 1.00 0.00 SBOX ATOM 1733 C4' ADE A 61 48.086 56.781 14.437 1.00 0.00 SBOX C ATOM 1734 H4' ADE A 61 47.016 56.983 14.396 1.00 0.00 SBOX ATOM 1735 O4' ADE A 61 48.860 56.907 13.223 1.00 0.00 SBOX O ATOM 1736 C1' ADE A 61 48.924 55.603 12.583 1.00 0.00 SBOX C ATOM 1737 H1' ADE A 61 48.452 55.673 11.604 1.00 0.00 SBOX ATOM 1738 N9 ADE A 61 50.303 55.097 12.474 1.00 0.00 SBOX N ATOM 1739 C8 ADE A 61 51.429 55.587 13.097 1.00 0.00 SBOX C ATOM 1740 H8 ADE A 61 51.347 56.454 13.735 1.00 0.00 SBOX ATOM 1741 N7 ADE A 61 52.543 55.015 12.778 1.00 0.00 SBOX N ATOM 1742 C5 ADE A 61 52.047 54.002 11.906 1.00 0.00 SBOX C ATOM 1743 C6 ADE A 61 52.624 52.960 11.110 1.00 0.00 SBOX C ATOM 1744 N6 ADE A 61 53.920 52.520 11.140 1.00 0.00 SBOX N ATOM 1745 H61 ADE A 61 54.118 51.759 10.507 1.00 0.00 SBOX ATOM 1746 H62 ADE A 61 54.634 52.899 11.746 1.00 0.00 SBOX ATOM 1747 N1 ADE A 61 51.887 52.162 10.344 1.00 0.00 SBOX N ATOM 1748 C2 ADE A 61 50.547 52.355 10.256 1.00 0.00 SBOX C ATOM 1749 H2 ADE A 61 50.037 51.745 9.525 1.00 0.00 SBOX ATOM 1750 N3 ADE A 61 49.924 53.392 10.749 1.00 0.00 SBOX N ATOM 1751 C4 ADE A 61 50.738 54.109 11.633 1.00 0.00 SBOX C ATOM 1752 C3' ADE A 61 48.135 55.254 14.886 1.00 0.00 SBOX C ATOM 1753 H3' ADE A 61 48.994 54.860 15.429 1.00 0.00 SBOX ATOM 1754 C2' ADE A 61 48.195 54.645 13.421 1.00 0.00 SBOX C ATOM 1755 H2'' ADE A 61 48.676 53.676 13.551 1.00 0.00 SBOX ATOM 1756 O2' ADE A 61 46.964 54.526 12.754 1.00 0.00 SBOX O ATOM 1757 H2' ADE A 61 46.336 55.091 13.211 1.00 0.00 SBOX ATOM 1758 O3' ADE A 61 46.931 54.958 15.557 1.00 0.00 SBOX O ATOM 1759 P ADE A 62 46.833 53.655 16.503 1.00 0.00 SBOX P ATOM 1760 O1P ADE A 62 48.069 53.764 17.301 1.00 0.00 SBOX ATOM 1761 O2P ADE A 62 45.586 53.700 17.202 1.00 0.00 SBOX ATOM 1762 O5' ADE A 62 46.801 52.322 15.571 1.00 0.00 SBOX O ATOM 1763 C5' ADE A 62 45.732 52.038 14.622 1.00 0.00 SBOX C ATOM 1764 H5' ADE A 62 45.588 52.843 13.902 1.00 0.00 SBOX ATOM 1765 H5'' ADE A 62 44.876 51.656 15.178 1.00 0.00 SBOX ATOM 1766 C4' ADE A 62 46.249 50.928 13.735 1.00 0.00 SBOX C ATOM 1767 H4' ADE A 62 45.508 50.592 13.009 1.00 0.00 SBOX ATOM 1768 O4' ADE A 62 47.356 51.306 12.975 1.00 0.00 SBOX O ATOM 1769 C1' ADE A 62 48.301 50.221 12.758 1.00 0.00 SBOX C ATOM 1770 H1' ADE A 62 48.382 50.032 11.688 1.00 0.00 SBOX ATOM 1771 N9 ADE A 62 49.610 50.593 13.195 1.00 0.00 SBOX N ATOM 1772 C8 ADE A 62 49.935 51.484 14.219 1.00 0.00 SBOX C ATOM 1773 H8 ADE A 62 49.225 52.062 14.793 1.00 0.00 SBOX ATOM 1774 N7 ADE A 62 51.232 51.541 14.436 1.00 0.00 SBOX N ATOM 1775 C5 ADE A 62 51.739 50.656 13.495 1.00 0.00 SBOX C ATOM 1776 C6 ADE A 62 53.066 50.184 13.234 1.00 0.00 SBOX C ATOM 1777 N6 ADE A 62 54.165 50.530 13.863 1.00 0.00 SBOX N ATOM 1778 H61 ADE A 62 55.019 50.188 13.445 1.00 0.00 SBOX ATOM 1779 H62 ADE A 62 54.203 51.168 14.645 1.00 0.00 SBOX ATOM 1780 N1 ADE A 62 53.311 49.320 12.272 1.00 0.00 SBOX N ATOM 1781 C2 ADE A 62 52.323 48.904 11.558 1.00 0.00 SBOX C ATOM 1782 H2 ADE A 62 52.575 48.261 10.728 1.00 0.00 SBOX ATOM 1783 N3 ADE A 62 51.046 49.186 11.773 1.00 0.00 SBOX N ATOM 1784 C4 ADE A 62 50.815 50.042 12.747 1.00 0.00 SBOX C ATOM 1785 C3' ADE A 62 46.756 49.560 14.395 1.00 0.00 SBOX C ATOM 1786 H3' ADE A 62 47.335 49.814 15.283 1.00 0.00 SBOX ATOM 1787 C2' ADE A 62 47.707 49.020 13.394 1.00 0.00 SBOX C ATOM 1788 H2'' ADE A 62 48.486 48.449 13.899 1.00 0.00 SBOX ATOM 1789 O2' ADE A 62 47.049 48.303 12.397 1.00 0.00 SBOX O ATOM 1790 H2' ADE A 62 46.777 47.520 12.881 1.00 0.00 SBOX ATOM 1791 O3' ADE A 62 45.676 48.698 14.695 1.00 0.00 SBOX O ATOM 1792 P URA A 63 45.828 47.444 15.610 1.00 0.00 SBOX P ATOM 1793 O1P URA A 63 44.498 46.753 15.490 1.00 0.00 SBOX ATOM 1794 O2P URA A 63 47.029 46.750 15.177 1.00 0.00 SBOX ATOM 1795 O5' URA A 63 46.089 47.950 17.166 1.00 0.00 SBOX O ATOM 1796 C5' URA A 63 45.249 48.832 17.794 1.00 0.00 SBOX C ATOM 1797 H5' URA A 63 44.328 48.798 17.213 1.00 0.00 SBOX ATOM 1798 H5'' URA A 63 45.725 49.810 17.724 1.00 0.00 SBOX ATOM 1799 C4' URA A 63 44.957 48.308 19.262 1.00 0.00 SBOX C ATOM 1800 H4' URA A 63 44.184 48.908 19.742 1.00 0.00 SBOX ATOM 1801 O4' URA A 63 44.554 46.967 19.159 1.00 0.00 SBOX O ATOM 1802 C1' URA A 63 45.499 46.100 19.849 1.00 0.00 SBOX C ATOM 1803 H1' URA A 63 45.072 45.862 20.823 1.00 0.00 SBOX ATOM 1804 N1 URA A 63 45.619 44.765 19.152 1.00 0.00 SBOX N ATOM 1805 C6 URA A 63 46.324 44.628 18.016 1.00 0.00 SBOX C ATOM 1806 H6 URA A 63 46.962 45.458 17.753 1.00 0.00 SBOX ATOM 1807 C5 URA A 63 46.246 43.444 17.306 1.00 0.00 SBOX C ATOM 1808 H5 URA A 63 46.961 43.248 16.521 1.00 0.00 SBOX ATOM 1809 C4 URA A 63 45.444 42.357 17.823 1.00 0.00 SBOX C ATOM 1810 O4 URA A 63 45.371 41.241 17.271 1.00 0.00 SBOX O ATOM 1811 N3 URA A 63 44.827 42.575 19.012 1.00 0.00 SBOX N ATOM 1812 H3 URA A 63 44.249 41.797 19.295 1.00 0.00 SBOX ATOM 1813 C2 URA A 63 44.820 43.755 19.652 1.00 0.00 SBOX C ATOM 1814 O2 URA A 63 43.996 43.829 20.562 1.00 0.00 SBOX O ATOM 1815 C3' URA A 63 46.245 48.380 20.169 1.00 0.00 SBOX C ATOM 1816 H3' URA A 63 46.967 49.143 19.878 1.00 0.00 SBOX ATOM 1817 C2' URA A 63 46.816 46.925 19.938 1.00 0.00 SBOX C ATOM 1818 H2'' URA A 63 47.392 46.967 19.013 1.00 0.00 SBOX ATOM 1819 O2' URA A 63 47.655 46.387 20.920 1.00 0.00 SBOX O ATOM 1820 H2' URA A 63 48.290 45.815 20.482 1.00 0.00 SBOX ATOM 1821 O3' URA A 63 45.855 48.469 21.555 1.00 0.00 SBOX O ATOM 1822 P URA A 64 46.459 49.575 22.444 1.00 0.00 SBOX P ATOM 1823 O1P URA A 64 46.341 50.839 21.630 1.00 0.00 SBOX ATOM 1824 O2P URA A 64 45.740 49.447 23.750 1.00 0.00 SBOX ATOM 1825 O5' URA A 64 47.924 49.106 22.610 1.00 0.00 SBOX O ATOM 1826 C5' URA A 64 48.969 50.027 22.490 1.00 0.00 SBOX C ATOM 1827 H5' URA A 64 48.831 50.899 23.130 1.00 0.00 SBOX ATOM 1828 H5'' URA A 64 48.898 50.407 21.471 1.00 0.00 SBOX ATOM 1829 C4' URA A 64 50.409 49.513 22.566 1.00 0.00 SBOX C ATOM 1830 H4' URA A 64 51.010 50.384 22.307 1.00 0.00 SBOX ATOM 1831 O4' URA A 64 50.919 49.011 23.806 1.00 0.00 SBOX O ATOM 1832 C1' URA A 64 51.959 48.091 23.637 1.00 0.00 SBOX C ATOM 1833 H1' URA A 64 52.891 48.613 23.850 1.00 0.00 SBOX ATOM 1834 N1 URA A 64 51.709 47.030 24.582 1.00 0.00 SBOX N ATOM 1835 C6 URA A 64 50.439 46.789 25.134 1.00 0.00 SBOX C ATOM 1836 H6 URA A 64 49.571 47.239 24.675 1.00 0.00 SBOX ATOM 1837 C5 URA A 64 50.362 46.049 26.247 1.00 0.00 SBOX C ATOM 1838 H5 URA A 64 49.429 45.898 26.769 1.00 0.00 SBOX ATOM 1839 C4 URA A 64 51.459 45.372 26.782 1.00 0.00 SBOX C ATOM 1840 O4 URA A 64 51.487 44.596 27.694 1.00 0.00 SBOX O ATOM 1841 N3 URA A 64 52.652 45.613 26.171 1.00 0.00 SBOX N ATOM 1842 H3 URA A 64 53.519 45.235 26.526 1.00 0.00 SBOX ATOM 1843 C2 URA A 64 52.788 46.313 25.043 1.00 0.00 SBOX C ATOM 1844 O2 URA A 64 53.903 46.285 24.497 1.00 0.00 SBOX O ATOM 1845 C3' URA A 64 50.623 48.382 21.585 1.00 0.00 SBOX C ATOM 1846 H3' URA A 64 49.791 47.692 21.723 1.00 0.00 SBOX ATOM 1847 C2' URA A 64 51.880 47.686 22.150 1.00 0.00 SBOX C ATOM 1848 H2'' URA A 64 51.751 46.607 22.060 1.00 0.00 SBOX ATOM 1849 O2' URA A 64 53.167 48.088 21.663 1.00 0.00 SBOX O ATOM 1850 H2' URA A 64 52.967 48.596 20.873 1.00 0.00 SBOX ATOM 1851 O3' URA A 64 50.634 48.703 20.156 1.00 0.00 SBOX O ATOM 1852 P CYT A 65 51.388 49.803 19.381 1.00 0.00 SBOX P ATOM 1853 O1P CYT A 65 50.699 51.090 19.668 1.00 0.00 SBOX ATOM 1854 O2P CYT A 65 52.798 49.547 19.654 1.00 0.00 SBOX ATOM 1855 O5' CYT A 65 51.114 49.352 17.896 1.00 0.00 SBOX O ATOM 1856 C5' CYT A 65 49.859 49.317 17.295 1.00 0.00 SBOX C ATOM 1857 H5' CYT A 65 49.865 50.184 16.634 1.00 0.00 SBOX ATOM 1858 H5'' CYT A 65 49.069 49.265 18.045 1.00 0.00 SBOX ATOM 1859 C4' CYT A 65 49.897 48.061 16.469 1.00 0.00 SBOX C ATOM 1860 H4' CYT A 65 48.848 47.910 16.218 1.00 0.00 SBOX ATOM 1861 O4' CYT A 65 50.625 48.214 15.263 1.00 0.00 SBOX O ATOM 1862 C1' CYT A 65 51.236 46.985 14.806 1.00 0.00 SBOX C ATOM 1863 H1' CYT A 65 50.943 46.701 13.796 1.00 0.00 SBOX ATOM 1864 N1 CYT A 65 52.668 47.045 14.887 1.00 0.00 SBOX N ATOM 1865 C6 CYT A 65 53.291 47.831 15.809 1.00 0.00 SBOX C ATOM 1866 H6 CYT A 65 52.705 48.469 16.452 1.00 0.00 SBOX ATOM 1867 C5 CYT A 65 54.605 48.016 15.692 1.00 0.00 SBOX C ATOM 1868 H5 CYT A 65 55.011 48.837 16.264 1.00 0.00 SBOX ATOM 1869 C4 CYT A 65 55.303 47.224 14.717 1.00 0.00 SBOX C ATOM 1870 N4 CYT A 65 56.545 47.426 14.581 1.00 0.00 SBOX N ATOM 1871 H41 CYT A 65 56.914 46.802 13.878 1.00 0.00 SBOX ATOM 1872 H42 CYT A 65 57.072 48.077 15.145 1.00 0.00 SBOX ATOM 1873 N3 CYT A 65 54.753 46.364 13.967 1.00 0.00 SBOX N ATOM 1874 C2 CYT A 65 53.378 46.239 13.978 1.00 0.00 SBOX C ATOM 1875 O2 CYT A 65 52.865 45.522 13.134 1.00 0.00 SBOX O ATOM 1876 C3' CYT A 65 50.472 46.728 17.070 1.00 0.00 SBOX C ATOM 1877 H3' CYT A 65 51.439 46.799 17.568 1.00 0.00 SBOX ATOM 1878 C2' CYT A 65 50.611 45.982 15.747 1.00 0.00 SBOX C ATOM 1879 H2'' CYT A 65 51.328 45.165 15.826 1.00 0.00 SBOX ATOM 1880 O2' CYT A 65 49.392 45.479 15.079 1.00 0.00 SBOX O ATOM 1881 H2' CYT A 65 48.723 46.167 15.084 1.00 0.00 SBOX ATOM 1882 O3' CYT A 65 49.621 46.110 18.014 1.00 0.00 SBOX O ATOM 1883 P CYT A 66 50.296 45.000 18.902 1.00 0.00 SBOX P ATOM 1884 O1P CYT A 66 51.539 45.569 19.530 1.00 0.00 SBOX ATOM 1885 O2P CYT A 66 49.164 44.510 19.758 1.00 0.00 SBOX ATOM 1886 O5' CYT A 66 50.628 43.795 17.942 1.00 0.00 SBOX O ATOM 1887 C5' CYT A 66 49.623 43.011 17.398 1.00 0.00 SBOX C ATOM 1888 H5' CYT A 66 48.898 43.734 17.025 1.00 0.00 SBOX ATOM 1889 H5'' CYT A 66 49.068 42.516 18.195 1.00 0.00 SBOX ATOM 1890 C4' CYT A 66 50.160 42.095 16.331 1.00 0.00 SBOX C ATOM 1891 H4' CYT A 66 49.289 41.629 15.870 1.00 0.00 SBOX ATOM 1892 O4' CYT A 66 51.031 42.714 15.375 1.00 0.00 SBOX O ATOM 1893 C1' CYT A 66 52.053 41.839 15.091 1.00 0.00 SBOX C ATOM 1894 H1' CYT A 66 52.179 41.641 14.026 1.00 0.00 SBOX ATOM 1895 N1 CYT A 66 53.395 42.497 15.411 1.00 0.00 SBOX N ATOM 1896 C6 CYT A 66 53.623 43.574 16.253 1.00 0.00 SBOX C ATOM 1897 H6 CYT A 66 52.776 44.010 16.761 1.00 0.00 SBOX ATOM 1898 C5 CYT A 66 54.900 43.987 16.494 1.00 0.00 SBOX C ATOM 1899 H5 CYT A 66 55.059 44.904 17.043 1.00 0.00 SBOX ATOM 1900 C4 CYT A 66 55.912 43.353 15.782 1.00 0.00 SBOX C ATOM 1901 N4 CYT A 66 57.064 43.995 15.730 1.00 0.00 SBOX N ATOM 1902 H41 CYT A 66 57.827 43.611 15.191 1.00 0.00 SBOX ATOM 1903 H42 CYT A 66 57.168 44.794 16.339 1.00 0.00 SBOX ATOM 1904 N3 CYT A 66 55.778 42.261 15.067 1.00 0.00 SBOX N ATOM 1905 C2 CYT A 66 54.504 41.892 14.815 1.00 0.00 SBOX C ATOM 1906 O2 CYT A 66 54.395 40.888 14.052 1.00 0.00 SBOX O ATOM 1907 C3' CYT A 66 50.933 40.980 17.010 1.00 0.00 SBOX C ATOM 1908 H3' CYT A 66 51.543 41.438 17.787 1.00 0.00 SBOX ATOM 1909 C2' CYT A 66 51.832 40.510 15.790 1.00 0.00 SBOX C ATOM 1910 H2'' CYT A 66 52.730 39.931 16.004 1.00 0.00 SBOX ATOM 1911 O2' CYT A 66 50.981 39.792 14.832 1.00 0.00 SBOX O ATOM 1912 H2' CYT A 66 50.501 39.061 15.228 1.00 0.00 SBOX ATOM 1913 O3' CYT A 66 50.057 39.933 17.382 1.00 0.00 SBOX O ATOM 1914 P URA A 67 50.069 39.229 18.778 1.00 0.00 SBOX P ATOM 1915 O1P URA A 67 50.338 40.368 19.706 1.00 0.00 SBOX ATOM 1916 O2P URA A 67 48.736 38.554 18.781 1.00 0.00 SBOX ATOM 1917 O5' URA A 67 51.260 38.157 18.738 1.00 0.00 SBOX O ATOM 1918 C5' URA A 67 51.290 37.123 17.798 1.00 0.00 SBOX C ATOM 1919 H5' URA A 67 50.714 37.382 16.910 1.00 0.00 SBOX ATOM 1920 H5'' URA A 67 50.954 36.206 18.283 1.00 0.00 SBOX ATOM 1921 C4' URA A 67 52.721 36.818 17.412 1.00 0.00 SBOX C ATOM 1922 H4' URA A 67 52.624 36.053 16.643 1.00 0.00 SBOX ATOM 1923 O4' URA A 67 53.372 37.952 16.720 1.00 0.00 SBOX O ATOM 1924 C1' URA A 67 54.767 38.008 17.101 1.00 0.00 SBOX C ATOM 1925 H1' URA A 67 55.482 37.902 16.286 1.00 0.00 SBOX ATOM 1926 N1 URA A 67 55.178 39.322 17.809 1.00 0.00 SBOX N ATOM 1927 C6 URA A 67 54.229 39.960 18.574 1.00 0.00 SBOX C ATOM 1928 H6 URA A 67 53.298 39.417 18.651 1.00 0.00 SBOX ATOM 1929 C5 URA A 67 54.498 41.153 19.164 1.00 0.00 SBOX C ATOM 1930 H5 URA A 67 53.850 41.686 19.844 1.00 0.00 SBOX ATOM 1931 C4 URA A 67 55.768 41.789 18.985 1.00 0.00 SBOX C ATOM 1932 O4 URA A 67 56.076 42.847 19.500 1.00 0.00 SBOX O ATOM 1933 N3 URA A 67 56.673 41.044 18.207 1.00 0.00 SBOX N ATOM 1934 H3 URA A 67 57.519 41.558 18.007 1.00 0.00 SBOX ATOM 1935 C2 URA A 67 56.442 39.881 17.637 1.00 0.00 SBOX C ATOM 1936 O2 URA A 67 57.245 39.250 16.960 1.00 0.00 SBOX O ATOM 1937 C3' URA A 67 53.657 36.378 18.502 1.00 0.00 SBOX C ATOM 1938 H3' URA A 67 53.366 36.787 19.469 1.00 0.00 SBOX ATOM 1939 C2' URA A 67 55.042 36.734 17.975 1.00 0.00 SBOX C ATOM 1940 H2'' URA A 67 55.708 37.020 18.789 1.00 0.00 SBOX ATOM 1941 O2' URA A 67 55.618 35.742 17.097 1.00 0.00 SBOX O ATOM 1942 H2' URA A 67 55.800 34.991 17.666 1.00 0.00 SBOX ATOM 1943 O3' URA A 67 53.571 34.933 18.557 1.00 0.00 SBOX O ATOM 1944 P GUA A 68 54.137 34.075 19.772 1.00 0.00 SBOX P ATOM 1945 O1P GUA A 68 53.760 34.723 21.018 1.00 0.00 SBOX ATOM 1946 O2P GUA A 68 53.746 32.611 19.592 1.00 0.00 SBOX ATOM 1947 O5' GUA A 68 55.693 34.266 19.594 1.00 0.00 SBOX O ATOM 1948 C5' GUA A 68 56.604 33.301 19.049 1.00 0.00 SBOX C ATOM 1949 H5' GUA A 68 56.473 33.182 17.973 1.00 0.00 SBOX ATOM 1950 H5'' GUA A 68 56.543 32.317 19.513 1.00 0.00 SBOX ATOM 1951 C4' GUA A 68 58.067 33.878 19.183 1.00 0.00 SBOX C ATOM 1952 H4' GUA A 68 58.685 33.170 18.631 1.00 0.00 SBOX ATOM 1953 O4' GUA A 68 58.194 35.079 18.541 1.00 0.00 SBOX O ATOM 1954 C1' GUA A 68 59.230 35.763 19.169 1.00 0.00 SBOX C ATOM 1955 H1' GUA A 68 60.041 35.940 18.462 1.00 0.00 SBOX ATOM 1956 N9 GUA A 68 58.634 36.915 19.760 1.00 0.00 SBOX N ATOM 1957 C8 GUA A 68 57.402 37.178 20.318 1.00 0.00 SBOX C ATOM 1958 H8 GUA A 68 56.703 36.379 20.515 1.00 0.00 SBOX ATOM 1959 N7 GUA A 68 57.253 38.304 20.938 1.00 0.00 SBOX N ATOM 1960 C5 GUA A 68 58.478 38.918 20.614 1.00 0.00 SBOX C ATOM 1961 C6 GUA A 68 58.959 40.288 20.868 1.00 0.00 SBOX C ATOM 1962 O6 GUA A 68 58.383 41.276 21.350 1.00 0.00 SBOX O ATOM 1963 N1 GUA A 68 60.320 40.440 20.570 1.00 0.00 SBOX N ATOM 1964 H1 GUA A 68 60.709 41.363 20.699 1.00 0.00 SBOX ATOM 1965 C2 GUA A 68 61.023 39.549 19.951 1.00 0.00 SBOX C ATOM 1966 N2 GUA A 68 62.227 39.959 19.876 1.00 0.00 SBOX N ATOM 1967 H21 GUA A 68 62.365 40.890 20.242 1.00 0.00 SBOX ATOM 1968 H22 GUA A 68 62.948 39.253 19.919 1.00 0.00 SBOX ATOM 1969 N3 GUA A 68 60.650 38.278 19.732 1.00 0.00 SBOX N ATOM 1970 C4 GUA A 68 59.345 38.018 20.054 1.00 0.00 SBOX C ATOM 1971 C3' GUA A 68 58.603 33.940 20.632 1.00 0.00 SBOX C ATOM 1972 H3' GUA A 68 57.933 34.536 21.251 1.00 0.00 SBOX ATOM 1973 C2' GUA A 68 59.853 34.840 20.230 1.00 0.00 SBOX C ATOM 1974 H2'' GUA A 68 60.184 35.504 21.028 1.00 0.00 SBOX ATOM 1975 O2' GUA A 68 60.985 34.281 19.637 1.00 0.00 SBOX O ATOM 1976 H2' GUA A 68 61.184 33.487 20.138 1.00 0.00 SBOX ATOM 1977 O3' GUA A 68 59.062 32.826 21.387 1.00 0.00 SBOX O ATOM 1978 P CYT A 69 59.724 31.505 20.763 1.00 0.00 SBOX P ATOM 1979 O1P CYT A 69 58.879 30.901 19.751 1.00 0.00 SBOX ATOM 1980 O2P CYT A 69 61.166 31.824 20.465 1.00 0.00 SBOX ATOM 1981 O5' CYT A 69 59.670 30.405 21.885 1.00 0.00 SBOX O ATOM 1982 C5' CYT A 69 60.510 30.315 23.051 1.00 0.00 SBOX C ATOM 1983 H5' CYT A 69 61.284 31.077 23.129 1.00 0.00 SBOX ATOM 1984 H5'' CYT A 69 60.953 29.319 23.047 1.00 0.00 SBOX ATOM 1985 C4' CYT A 69 59.741 30.364 24.414 1.00 0.00 SBOX C ATOM 1986 H4' CYT A 69 60.521 30.102 25.129 1.00 0.00 SBOX ATOM 1987 O4' CYT A 69 59.192 31.627 24.662 1.00 0.00 SBOX O ATOM 1988 C1' CYT A 69 58.132 31.360 25.576 1.00 0.00 SBOX C ATOM 1989 H1' CYT A 69 58.318 31.873 26.520 1.00 0.00 SBOX ATOM 1990 N1 CYT A 69 56.885 31.863 24.982 1.00 0.00 SBOX N ATOM 1991 C6 CYT A 69 56.790 32.026 23.584 1.00 0.00 SBOX C ATOM 1992 H6 CYT A 69 57.552 31.692 22.895 1.00 0.00 SBOX ATOM 1993 C5 CYT A 69 55.624 32.458 23.033 1.00 0.00 SBOX C ATOM 1994 H5 CYT A 69 55.680 32.611 21.966 1.00 0.00 SBOX ATOM 1995 C4 CYT A 69 54.517 32.792 23.913 1.00 0.00 SBOX C ATOM 1996 N4 CYT A 69 53.378 33.232 23.506 1.00 0.00 SBOX N ATOM 1997 H41 CYT A 69 52.614 33.313 24.161 1.00 0.00 SBOX ATOM 1998 H42 CYT A 69 53.360 33.732 22.628 1.00 0.00 SBOX ATOM 1999 N3 CYT A 69 54.498 32.450 25.199 1.00 0.00 SBOX N ATOM 2000 C2 CYT A 69 55.663 31.978 25.758 1.00 0.00 SBOX C ATOM 2001 O2 CYT A 69 55.770 31.785 26.954 1.00 0.00 SBOX O ATOM 2002 C3' CYT A 69 58.630 29.367 24.384 1.00 0.00 SBOX C ATOM 2003 H3' CYT A 69 58.062 29.673 23.506 1.00 0.00 SBOX ATOM 2004 C2' CYT A 69 58.036 29.789 25.770 1.00 0.00 SBOX C ATOM 2005 H2'' CYT A 69 56.998 29.466 25.854 1.00 0.00 SBOX ATOM 2006 O2' CYT A 69 58.799 29.476 26.888 1.00 0.00 SBOX O ATOM 2007 H2' CYT A 69 58.307 29.602 27.702 1.00 0.00 SBOX ATOM 2008 O3' CYT A 69 59.085 28.030 24.290 1.00 0.00 SBOX O ATOM 2009 P ADE A 70 58.184 26.756 24.109 1.00 0.00 SBOX P ATOM 2010 O1P ADE A 70 57.520 26.885 22.823 1.00 0.00 SBOX ATOM 2011 O2P ADE A 70 59.131 25.637 24.409 1.00 0.00 SBOX ATOM 2012 O5' ADE A 70 57.083 26.902 25.257 1.00 0.00 SBOX O ATOM 2013 C5' ADE A 70 57.211 26.407 26.579 1.00 0.00 SBOX C ATOM 2014 H5' ADE A 70 58.038 26.984 26.992 1.00 0.00 SBOX ATOM 2015 H5'' ADE A 70 57.633 25.405 26.495 1.00 0.00 SBOX ATOM 2016 C4' ADE A 70 55.836 26.602 27.273 1.00 0.00 SBOX C ATOM 2017 H4' ADE A 70 56.064 26.262 28.283 1.00 0.00 SBOX ATOM 2018 O4' ADE A 70 55.289 27.927 27.327 1.00 0.00 SBOX O ATOM 2019 C1' ADE A 70 53.900 27.761 27.071 1.00 0.00 SBOX C ATOM 2020 H1' ADE A 70 53.319 28.145 27.909 1.00 0.00 SBOX ATOM 2021 N9 ADE A 70 53.493 28.570 25.894 1.00 0.00 SBOX N ATOM 2022 C8 ADE A 70 54.141 28.560 24.715 1.00 0.00 SBOX C ATOM 2023 H8 ADE A 70 55.065 28.042 24.501 1.00 0.00 SBOX ATOM 2024 N7 ADE A 70 53.462 29.281 23.792 1.00 0.00 SBOX N ATOM 2025 C5 ADE A 70 52.297 29.735 24.430 1.00 0.00 SBOX C ATOM 2026 C6 ADE A 70 51.062 30.415 24.068 1.00 0.00 SBOX C ATOM 2027 N6 ADE A 70 50.607 30.773 22.930 1.00 0.00 SBOX N ATOM 2028 H61 ADE A 70 49.738 31.287 22.905 1.00 0.00 SBOX ATOM 2029 H62 ADE A 70 51.299 30.851 22.198 1.00 0.00 SBOX ATOM 2030 N1 ADE A 70 50.128 30.558 24.975 1.00 0.00 SBOX N ATOM 2031 C2 ADE A 70 50.278 30.068 26.152 1.00 0.00 SBOX C ATOM 2032 H2 ADE A 70 49.436 30.333 26.775 1.00 0.00 SBOX ATOM 2033 N3 ADE A 70 51.336 29.447 26.652 1.00 0.00 SBOX N ATOM 2034 C4 ADE A 70 52.266 29.186 25.672 1.00 0.00 SBOX C ATOM 2035 C3' ADE A 70 54.788 25.602 26.619 1.00 0.00 SBOX C ATOM 2036 H3' ADE A 70 54.822 25.534 25.532 1.00 0.00 SBOX ATOM 2037 C2' ADE A 70 53.492 26.339 26.921 1.00 0.00 SBOX C ATOM 2038 H2'' ADE A 70 52.850 26.312 26.040 1.00 0.00 SBOX ATOM 2039 O2' ADE A 70 52.977 25.949 28.155 1.00 0.00 SBOX O ATOM 2040 H2' ADE A 70 52.221 25.360 28.086 1.00 0.00 SBOX ATOM 2041 O3' ADE A 70 54.884 24.268 27.150 1.00 0.00 SBOX O ATOM 2042 P GUA A 71 54.054 23.085 26.458 1.00 0.00 SBOX P ATOM 2043 O1P GUA A 71 54.276 23.170 24.962 1.00 0.00 SBOX ATOM 2044 O2P GUA A 71 54.395 21.834 27.128 1.00 0.00 SBOX ATOM 2045 O5' GUA A 71 52.462 23.359 26.645 1.00 0.00 SBOX O ATOM 2046 C5' GUA A 71 51.762 22.960 27.855 1.00 0.00 SBOX C ATOM 2047 H5' GUA A 71 52.395 23.378 28.638 1.00 0.00 SBOX ATOM 2048 H5'' GUA A 71 51.865 21.877 27.926 1.00 0.00 SBOX ATOM 2049 C4' GUA A 71 50.318 23.539 27.982 1.00 0.00 SBOX C ATOM 2050 H4' GUA A 71 49.958 23.318 28.987 1.00 0.00 SBOX ATOM 2051 O4' GUA A 71 50.242 24.904 27.698 1.00 0.00 SBOX O ATOM 2052 C1' GUA A 71 48.928 25.270 27.400 1.00 0.00 SBOX C ATOM 2053 H1' GUA A 71 48.469 25.995 28.073 1.00 0.00 SBOX ATOM 2054 N9 GUA A 71 49.019 25.936 26.120 1.00 0.00 SBOX N ATOM 2055 C8 GUA A 71 50.072 26.019 25.227 1.00 0.00 SBOX C ATOM 2056 H8 GUA A 71 50.995 25.483 25.390 1.00 0.00 SBOX ATOM 2057 N7 GUA A 71 49.907 26.898 24.251 1.00 0.00 SBOX N ATOM 2058 C5 GUA A 71 48.646 27.440 24.447 1.00 0.00 SBOX C ATOM 2059 C6 GUA A 71 47.837 28.387 23.765 1.00 0.00 SBOX C ATOM 2060 O6 GUA A 71 48.078 29.010 22.748 1.00 0.00 SBOX O ATOM 2061 N1 GUA A 71 46.703 28.722 24.414 1.00 0.00 SBOX N ATOM 2062 H1 GUA A 71 46.179 29.447 23.945 1.00 0.00 SBOX ATOM 2063 C2 GUA A 71 46.244 28.106 25.483 1.00 0.00 SBOX C ATOM 2064 N2 GUA A 71 45.174 28.671 25.920 1.00 0.00 SBOX N ATOM 2065 H21 GUA A 71 44.766 29.326 25.267 1.00 0.00 SBOX ATOM 2066 H22 GUA A 71 44.781 28.316 26.779 1.00 0.00 SBOX ATOM 2067 N3 GUA A 71 46.902 27.182 26.140 1.00 0.00 SBOX N ATOM 2068 C4 GUA A 71 48.133 26.881 25.608 1.00 0.00 SBOX C ATOM 2069 C3' GUA A 71 49.278 22.998 27.074 1.00 0.00 SBOX C ATOM 2070 H3' GUA A 71 49.655 23.036 26.052 1.00 0.00 SBOX ATOM 2071 C2' GUA A 71 48.087 24.033 27.232 1.00 0.00 SBOX C ATOM 2072 H2'' GUA A 71 47.337 23.973 26.443 1.00 0.00 SBOX ATOM 2073 O2' GUA A 71 47.316 23.931 28.425 1.00 0.00 SBOX O ATOM 2074 H2' GUA A 71 46.582 24.550 28.408 1.00 0.00 SBOX ATOM 2075 O3' GUA A 71 48.966 21.681 27.437 1.00 0.00 SBOX O ATOM 2076 P CYT A 72 48.289 20.613 26.420 1.00 0.00 SBOX P ATOM 2077 O1P CYT A 72 49.254 20.255 25.357 1.00 0.00 SBOX ATOM 2078 O2P CYT A 72 47.746 19.496 27.294 1.00 0.00 SBOX ATOM 2079 O5' CYT A 72 47.016 21.361 25.772 1.00 0.00 SBOX O ATOM 2080 C5' CYT A 72 45.789 21.496 26.478 1.00 0.00 SBOX C ATOM 2081 H5' CYT A 72 46.048 21.987 27.416 1.00 0.00 SBOX ATOM 2082 H5'' CYT A 72 45.349 20.539 26.759 1.00 0.00 SBOX ATOM 2083 C4' CYT A 72 44.776 22.358 25.899 1.00 0.00 SBOX C ATOM 2084 H4' CYT A 72 43.933 22.180 26.567 1.00 0.00 SBOX ATOM 2085 O4' CYT A 72 45.044 23.729 25.957 1.00 0.00 SBOX O ATOM 2086 C1' CYT A 72 44.507 24.351 24.820 1.00 0.00 SBOX C ATOM 2087 H1' CYT A 72 43.876 25.219 25.010 1.00 0.00 SBOX ATOM 2088 N1 CYT A 72 45.472 24.983 23.894 1.00 0.00 SBOX N ATOM 2089 C6 CYT A 72 46.718 24.421 23.767 1.00 0.00 SBOX C ATOM 2090 H6 CYT A 72 46.976 23.679 24.507 1.00 0.00 SBOX ATOM 2091 C5 CYT A 72 47.637 24.872 22.889 1.00 0.00 SBOX C ATOM 2092 H5 CYT A 72 48.657 24.518 22.921 1.00 0.00 SBOX ATOM 2093 C4 CYT A 72 47.148 25.869 22.027 1.00 0.00 SBOX C ATOM 2094 N4 CYT A 72 47.881 26.351 21.083 1.00 0.00 SBOX N ATOM 2095 H41 CYT A 72 47.539 27.186 20.629 1.00 0.00 SBOX ATOM 2096 H42 CYT A 72 48.727 25.907 20.756 1.00 0.00 SBOX ATOM 2097 N3 CYT A 72 45.983 26.516 22.167 1.00 0.00 SBOX N ATOM 2098 C2 CYT A 72 45.122 26.137 23.161 1.00 0.00 SBOX C ATOM 2099 O2 CYT A 72 44.065 26.730 23.288 1.00 0.00 SBOX O ATOM 2100 C3' CYT A 72 44.383 22.052 24.431 1.00 0.00 SBOX C ATOM 2101 H3' CYT A 72 45.329 21.888 23.915 1.00 0.00 SBOX ATOM 2102 C2' CYT A 72 43.709 23.321 24.031 1.00 0.00 SBOX C ATOM 2103 H2'' CYT A 72 43.799 23.270 22.946 1.00 0.00 SBOX ATOM 2104 O2' CYT A 72 42.417 23.540 24.499 1.00 0.00 SBOX O ATOM 2105 H2' CYT A 72 42.017 24.278 24.033 1.00 0.00 SBOX ATOM 2106 O3' CYT A 72 43.514 20.901 24.311 1.00 0.00 SBOX O ATOM 2107 P GUA A 73 43.708 19.854 23.150 1.00 0.00 SBOX P ATOM 2108 O1P GUA A 73 45.161 19.725 22.801 1.00 0.00 SBOX ATOM 2109 O2P GUA A 73 42.902 18.628 23.332 1.00 0.00 SBOX ATOM 2110 O5' GUA A 73 42.989 20.713 21.976 1.00 0.00 SBOX O ATOM 2111 C5' GUA A 73 41.568 20.846 21.926 1.00 0.00 SBOX C ATOM 2112 H5' GUA A 73 41.199 20.975 22.943 1.00 0.00 SBOX ATOM 2113 H5'' GUA A 73 41.010 19.945 21.670 1.00 0.00 SBOX ATOM 2114 C4' GUA A 73 41.321 21.879 20.926 1.00 0.00 SBOX C ATOM 2115 H4' GUA A 73 40.252 22.084 20.987 1.00 0.00 SBOX ATOM 2116 O4' GUA A 73 42.081 23.097 21.096 1.00 0.00 SBOX O ATOM 2117 C1' GUA A 73 42.090 23.736 19.805 1.00 0.00 SBOX C ATOM 2118 H1' GUA A 73 41.512 24.658 19.857 1.00 0.00 SBOX ATOM 2119 N9 GUA A 73 43.512 23.950 19.347 1.00 0.00 SBOX N ATOM 2120 C8 GUA A 73 44.589 23.420 20.034 1.00 0.00 SBOX C ATOM 2121 H8 GUA A 73 44.404 22.742 20.854 1.00 0.00 SBOX ATOM 2122 N7 GUA A 73 45.734 23.823 19.600 1.00 0.00 SBOX N ATOM 2123 C5 GUA A 73 45.469 24.739 18.602 1.00 0.00 SBOX C ATOM 2124 C6 GUA A 73 46.258 25.549 17.751 1.00 0.00 SBOX C ATOM 2125 O6 GUA A 73 47.469 25.687 17.725 1.00 0.00 SBOX O ATOM 2126 N1 GUA A 73 45.476 26.200 16.774 1.00 0.00 SBOX N ATOM 2127 H1 GUA A 73 45.996 26.662 16.041 1.00 0.00 SBOX ATOM 2128 C2 GUA A 73 44.098 26.152 16.695 1.00 0.00 SBOX C ATOM 2129 N2 GUA A 73 43.478 27.079 15.954 1.00 0.00 SBOX N ATOM 2130 H21 GUA A 73 44.025 27.690 15.365 1.00 0.00 SBOX ATOM 2131 H22 GUA A 73 42.485 27.121 16.136 1.00 0.00 SBOX ATOM 2132 N3 GUA A 73 43.348 25.587 17.585 1.00 0.00 SBOX N ATOM 2133 C4 GUA A 73 44.079 24.775 18.400 1.00 0.00 SBOX C ATOM 2134 C3' GUA A 73 41.550 21.425 19.534 1.00 0.00 SBOX C ATOM 2135 H3' GUA A 73 42.612 21.187 19.474 1.00 0.00 SBOX ATOM 2136 C2' GUA A 73 41.314 22.829 18.850 1.00 0.00 SBOX C ATOM 2137 H2'' GUA A 73 41.631 22.894 17.809 1.00 0.00 SBOX ATOM 2138 O2' GUA A 73 39.948 23.262 18.738 1.00 0.00 SBOX O ATOM 2139 H2' GUA A 73 39.901 24.100 18.271 1.00 0.00 SBOX ATOM 2140 O3' GUA A 73 40.657 20.604 18.843 1.00 0.00 SBOX O ATOM 2141 P GUA A 74 41.208 19.155 18.202 1.00 0.00 SBOX P ATOM 2142 O1P GUA A 74 42.343 18.679 18.933 1.00 0.00 SBOX ATOM 2143 O2P GUA A 74 40.025 18.290 17.980 1.00 0.00 SBOX ATOM 2144 O5' GUA A 74 41.759 19.423 16.781 1.00 0.00 SBOX O ATOM 2145 C5' GUA A 74 42.618 20.505 16.381 1.00 0.00 SBOX C ATOM 2146 H5' GUA A 74 43.540 20.439 16.958 1.00 0.00 SBOX ATOM 2147 H5'' GUA A 74 42.062 21.433 16.509 1.00 0.00 SBOX ATOM 2148 C4' GUA A 74 42.983 20.404 14.909 1.00 0.00 SBOX C ATOM 2149 H4' GUA A 74 42.095 20.342 14.281 1.00 0.00 SBOX ATOM 2150 O4' GUA A 74 43.587 21.671 14.643 1.00 0.00 SBOX O ATOM 2151 C1' GUA A 74 44.801 21.395 13.936 1.00 0.00 SBOX C ATOM 2152 H1' GUA A 74 44.827 22.012 13.038 1.00 0.00 SBOX ATOM 2153 N9 GUA A 74 45.910 21.859 14.778 1.00 0.00 SBOX N ATOM 2154 C8 GUA A 74 46.382 21.452 16.038 1.00 0.00 SBOX C ATOM 2155 H8 GUA A 74 45.865 20.722 16.642 1.00 0.00 SBOX ATOM 2156 N7 GUA A 74 47.536 21.991 16.390 1.00 0.00 SBOX N ATOM 2157 C5 GUA A 74 47.882 22.764 15.297 1.00 0.00 SBOX C ATOM 2158 C6 GUA A 74 48.997 23.649 15.099 1.00 0.00 SBOX C ATOM 2159 O6 GUA A 74 50.074 23.832 15.727 1.00 0.00 SBOX O ATOM 2160 N1 GUA A 74 48.940 24.339 13.938 1.00 0.00 SBOX N ATOM 2161 H1 GUA A 74 49.627 25.078 13.883 1.00 0.00 SBOX ATOM 2162 C2 GUA A 74 47.862 24.311 13.093 1.00 0.00 SBOX C ATOM 2163 N2 GUA A 74 47.953 24.940 12.037 1.00 0.00 SBOX N ATOM 2164 H21 GUA A 74 48.714 25.597 11.947 1.00 0.00 SBOX ATOM 2165 H22 GUA A 74 47.067 24.945 11.551 1.00 0.00 SBOX ATOM 2166 N3 GUA A 74 46.776 23.616 13.266 1.00 0.00 SBOX N ATOM 2167 C4 GUA A 74 46.859 22.816 14.343 1.00 0.00 SBOX C ATOM 2168 C3' GUA A 74 44.031 19.293 14.712 1.00 0.00 SBOX C ATOM 2169 H3' GUA A 74 44.729 19.211 15.546 1.00 0.00 SBOX ATOM 2170 C2' GUA A 74 44.789 19.913 13.502 1.00 0.00 SBOX C ATOM 2171 H2'' GUA A 74 45.834 19.604 13.502 1.00 0.00 SBOX ATOM 2172 O2' GUA A 74 43.997 19.826 12.329 1.00 0.00 SBOX O ATOM 2173 H2' GUA A 74 44.381 20.335 11.611 1.00 0.00 SBOX ATOM 2174 O3' GUA A 74 43.396 18.056 14.469 1.00 0.00 SBOX O ATOM 2175 P ADE A 75 44.405 16.811 14.350 1.00 0.00 SBOX P ATOM 2176 O1P ADE A 75 45.126 16.809 15.622 1.00 0.00 SBOX ATOM 2177 O2P ADE A 75 43.691 15.570 13.955 1.00 0.00 SBOX ATOM 2178 O5' ADE A 75 45.459 17.100 13.112 1.00 0.00 SBOX O ATOM 2179 C5' ADE A 75 46.542 16.300 12.889 1.00 0.00 SBOX C ATOM 2180 H5' ADE A 75 46.192 15.272 12.804 1.00 0.00 SBOX ATOM 2181 H5'' ADE A 75 47.274 16.451 13.682 1.00 0.00 SBOX ATOM 2182 C4' ADE A 75 47.267 16.607 11.550 1.00 0.00 SBOX C ATOM 2183 H4' ADE A 75 48.268 16.179 11.511 1.00 0.00 SBOX ATOM 2184 O4' ADE A 75 46.596 15.979 10.384 1.00 0.00 SBOX O ATOM 2185 C1' ADE A 75 46.628 16.981 9.368 1.00 0.00 SBOX C ATOM 2186 H1' ADE A 75 47.012 16.553 8.442 1.00 0.00 SBOX ATOM 2187 N9 ADE A 75 45.230 17.514 9.183 1.00 0.00 SBOX N ATOM 2188 C8 ADE A 75 44.110 17.309 9.979 1.00 0.00 SBOX C ATOM 2189 H8 ADE A 75 44.110 16.618 10.809 1.00 0.00 SBOX ATOM 2190 N7 ADE A 75 43.020 17.995 9.627 1.00 0.00 SBOX N ATOM 2191 C5 ADE A 75 43.448 18.749 8.518 1.00 0.00 SBOX C ATOM 2192 C6 ADE A 75 42.822 19.541 7.502 1.00 0.00 SBOX C ATOM 2193 N6 ADE A 75 41.499 19.725 7.392 1.00 0.00 SBOX N ATOM 2194 H61 ADE A 75 41.157 20.423 6.747 1.00 0.00 SBOX ATOM 2195 H62 ADE A 75 40.796 19.326 7.998 1.00 0.00 SBOX ATOM 2196 N1 ADE A 75 43.449 20.143 6.518 1.00 0.00 SBOX N ATOM 2197 C2 ADE A 75 44.742 19.863 6.459 1.00 0.00 SBOX C ATOM 2198 H2 ADE A 75 45.277 20.079 5.546 1.00 0.00 SBOX ATOM 2199 N3 ADE A 75 45.448 19.005 7.185 1.00 0.00 SBOX N ATOM 2200 C4 ADE A 75 44.796 18.472 8.253 1.00 0.00 SBOX C ATOM 2201 C3' ADE A 75 47.571 18.036 11.328 1.00 0.00 SBOX C ATOM 2202 H3' ADE A 75 46.771 18.587 11.824 1.00 0.00 SBOX ATOM 2203 C2' ADE A 75 47.630 18.106 9.772 1.00 0.00 SBOX C ATOM 2204 H2'' ADE A 75 47.199 19.092 9.601 1.00 0.00 SBOX ATOM 2205 O2' ADE A 75 48.925 17.927 9.109 1.00 0.00 SBOX O ATOM 2206 H2' ADE A 75 49.197 18.818 8.877 1.00 0.00 SBOX ATOM 2207 O3' ADE A 75 48.903 18.262 11.863 1.00 0.00 SBOX O ATOM 2208 P ADE A 76 49.385 19.602 12.485 1.00 0.00 SBOX P ATOM 2209 O1P ADE A 76 48.383 19.926 13.486 1.00 0.00 SBOX ATOM 2210 O2P ADE A 76 50.764 19.451 12.990 1.00 0.00 SBOX ATOM 2211 O5' ADE A 76 49.354 20.675 11.322 1.00 0.00 SBOX O ATOM 2212 C5' ADE A 76 50.427 20.857 10.445 1.00 0.00 SBOX C ATOM 2213 H5' ADE A 76 50.629 19.892 9.980 1.00 0.00 SBOX ATOM 2214 H5'' ADE A 76 51.311 21.215 10.972 1.00 0.00 SBOX ATOM 2215 C4' ADE A 76 50.057 21.850 9.341 1.00 0.00 SBOX C ATOM 2216 H4' ADE A 76 50.875 21.989 8.634 1.00 0.00 SBOX ATOM 2217 O4' ADE A 76 48.782 21.360 8.802 1.00 0.00 SBOX O ATOM 2218 C1' ADE A 76 47.911 22.491 8.508 1.00 0.00 SBOX C ATOM 2219 H1' ADE A 76 47.868 22.604 7.425 1.00 0.00 SBOX ATOM 2220 N9 ADE A 76 46.590 22.367 9.056 1.00 0.00 SBOX N ATOM 2221 C8 ADE A 76 46.213 21.862 10.282 1.00 0.00 SBOX C ATOM 2222 H8 ADE A 76 46.983 21.729 11.027 1.00 0.00 SBOX ATOM 2223 N7 ADE A 76 44.929 21.929 10.434 1.00 0.00 SBOX N ATOM 2224 C5 ADE A 76 44.436 22.426 9.236 1.00 0.00 SBOX C ATOM 2225 C6 ADE A 76 43.111 22.721 8.627 1.00 0.00 SBOX C ATOM 2226 N6 ADE A 76 41.994 22.638 9.244 1.00 0.00 SBOX N ATOM 2227 H61 ADE A 76 41.231 22.773 8.597 1.00 0.00 SBOX ATOM 2228 H62 ADE A 76 41.907 22.219 10.159 1.00 0.00 SBOX ATOM 2229 N1 ADE A 76 42.960 23.215 7.436 1.00 0.00 SBOX N ATOM 2230 C2 ADE A 76 44.058 23.394 6.741 1.00 0.00 SBOX C ATOM 2231 H2 ADE A 76 43.790 23.768 5.764 1.00 0.00 SBOX ATOM 2232 N3 ADE A 76 45.349 23.239 7.105 1.00 0.00 SBOX N ATOM 2233 C4 ADE A 76 45.428 22.805 8.397 1.00 0.00 SBOX C ATOM 2234 C3' ADE A 76 49.809 23.319 9.851 1.00 0.00 SBOX C ATOM 2235 H3' ADE A 76 49.661 23.280 10.930 1.00 0.00 SBOX ATOM 2236 C2' ADE A 76 48.534 23.765 9.122 1.00 0.00 SBOX C ATOM 2237 H2'' ADE A 76 47.827 24.185 9.837 1.00 0.00 SBOX ATOM 2238 O2' ADE A 76 48.710 24.667 8.089 1.00 0.00 SBOX O ATOM 2239 H2' ADE A 76 49.279 25.398 8.340 1.00 0.00 SBOX ATOM 2240 O3' ADE A 76 50.859 24.203 9.549 1.00 0.00 SBOX O ATOM 2241 P ADE A 77 51.175 25.490 10.300 1.00 0.00 SBOX P ATOM 2242 O1P ADE A 77 50.697 25.502 11.704 1.00 0.00 SBOX ATOM 2243 O2P ADE A 77 52.595 25.781 10.140 1.00 0.00 SBOX ATOM 2244 O5' ADE A 77 50.312 26.565 9.545 1.00 0.00 SBOX O ATOM 2245 C5' ADE A 77 50.807 27.290 8.399 1.00 0.00 SBOX C ATOM 2246 H5' ADE A 77 51.156 26.458 7.788 1.00 0.00 SBOX ATOM 2247 H5'' ADE A 77 51.535 28.062 8.649 1.00 0.00 SBOX ATOM 2248 C4' ADE A 77 49.655 27.959 7.620 1.00 0.00 SBOX C ATOM 2249 H4' ADE A 77 50.069 28.520 6.783 1.00 0.00 SBOX ATOM 2250 O4' ADE A 77 48.717 27.030 7.325 1.00 0.00 SBOX O ATOM 2251 C1' ADE A 77 47.460 27.661 7.285 1.00 0.00 SBOX C ATOM 2252 H1' ADE A 77 46.911 27.605 6.345 1.00 0.00 SBOX ATOM 2253 N9 ADE A 77 46.666 27.055 8.360 1.00 0.00 SBOX N ATOM 2254 C8 ADE A 77 46.909 26.714 9.657 1.00 0.00 SBOX C ATOM 2255 H8 ADE A 77 47.923 26.783 10.022 1.00 0.00 SBOX ATOM 2256 N7 ADE A 77 45.895 26.176 10.326 1.00 0.00 SBOX N ATOM 2257 C5 ADE A 77 44.852 26.199 9.372 1.00 0.00 SBOX C ATOM 2258 C6 ADE A 77 43.452 25.983 9.376 1.00 0.00 SBOX C ATOM 2259 N6 ADE A 77 42.719 25.466 10.298 1.00 0.00 SBOX N ATOM 2260 H61 ADE A 77 41.859 24.987 10.073 1.00 0.00 SBOX ATOM 2261 H62 ADE A 77 43.171 25.292 11.184 1.00 0.00 SBOX ATOM 2262 N1 ADE A 77 42.677 26.330 8.382 1.00 0.00 SBOX N ATOM 2263 C2 ADE A 77 43.278 26.722 7.290 1.00 0.00 SBOX C ATOM 2264 H2 ADE A 77 42.580 27.043 6.530 1.00 0.00 SBOX ATOM 2265 N3 ADE A 77 44.548 27.089 7.158 1.00 0.00 SBOX N ATOM 2266 C4 ADE A 77 45.310 26.693 8.246 1.00 0.00 SBOX C ATOM 2267 C3' ADE A 77 48.928 29.106 8.307 1.00 0.00 SBOX C ATOM 2268 H3' ADE A 77 48.768 28.941 9.373 1.00 0.00 SBOX ATOM 2269 C2' ADE A 77 47.670 29.176 7.537 1.00 0.00 SBOX C ATOM 2270 H2'' ADE A 77 46.842 29.545 8.143 1.00 0.00 SBOX ATOM 2271 O2' ADE A 77 47.797 29.899 6.328 1.00 0.00 SBOX O ATOM 2272 H2' ADE A 77 48.496 30.550 6.424 1.00 0.00 SBOX ATOM 2273 O3' ADE A 77 49.722 30.290 8.158 1.00 0.00 SBOX O ATOM 2274 P CYT A 78 50.119 31.156 9.417 1.00 0.00 SBOX P ATOM 2275 O1P CYT A 78 51.136 30.301 10.172 1.00 0.00 SBOX ATOM 2276 O2P CYT A 78 50.535 32.464 9.001 1.00 0.00 SBOX ATOM 2277 O5' CYT A 78 48.788 31.323 10.333 1.00 0.00 SBOX O ATOM 2278 C5' CYT A 78 47.530 31.845 9.822 1.00 0.00 SBOX C ATOM 2279 H5' CYT A 78 47.518 31.474 8.797 1.00 0.00 SBOX ATOM 2280 H5'' CYT A 78 47.473 32.934 9.812 1.00 0.00 SBOX ATOM 2281 C4' CYT A 78 46.279 31.286 10.473 1.00 0.00 SBOX C ATOM 2282 H4' CYT A 78 45.444 31.472 9.798 1.00 0.00 SBOX ATOM 2283 O4' CYT A 78 46.340 29.875 10.474 1.00 0.00 SBOX O ATOM 2284 C1' CYT A 78 45.750 29.264 11.589 1.00 0.00 SBOX C ATOM 2285 H1' CYT A 78 44.918 28.599 11.359 1.00 0.00 SBOX ATOM 2286 N1 CYT A 78 46.727 28.638 12.589 1.00 0.00 SBOX N ATOM 2287 C6 CYT A 78 48.092 28.779 12.588 1.00 0.00 SBOX C ATOM 2288 H6 CYT A 78 48.545 29.199 11.702 1.00 0.00 SBOX ATOM 2289 C5 CYT A 78 48.879 28.177 13.543 1.00 0.00 SBOX C ATOM 2290 H5 CYT A 78 49.951 28.303 13.518 1.00 0.00 SBOX ATOM 2291 C4 CYT A 78 48.165 27.510 14.559 1.00 0.00 SBOX C ATOM 2292 N4 CYT A 78 48.753 26.996 15.563 1.00 0.00 SBOX N ATOM 2293 H41 CYT A 78 48.327 26.398 16.256 1.00 0.00 SBOX ATOM 2294 H42 CYT A 78 49.741 26.804 15.643 1.00 0.00 SBOX ATOM 2295 N3 CYT A 78 46.845 27.350 14.507 1.00 0.00 SBOX N ATOM 2296 C2 CYT A 78 46.077 27.951 13.545 1.00 0.00 SBOX C ATOM 2297 O2 CYT A 78 44.901 27.735 13.548 1.00 0.00 SBOX O ATOM 2298 C3' CYT A 78 45.972 31.748 11.931 1.00 0.00 SBOX C ATOM 2299 H3' CYT A 78 46.924 31.764 12.462 1.00 0.00 SBOX ATOM 2300 C2' CYT A 78 45.104 30.470 12.222 1.00 0.00 SBOX C ATOM 2301 H2'' CYT A 78 44.942 30.373 13.295 1.00 0.00 SBOX ATOM 2302 O2' CYT A 78 43.764 30.498 11.762 1.00 0.00 SBOX O ATOM 2303 H2' CYT A 78 43.249 29.714 11.966 1.00 0.00 SBOX ATOM 2304 O3' CYT A 78 45.222 32.946 12.028 1.00 0.00 SBOX O ATOM 2305 P GUA A 79 44.954 33.727 13.336 1.00 0.00 SBOX P ATOM 2306 O1P GUA A 79 46.219 33.684 14.144 1.00 0.00 SBOX ATOM 2307 O2P GUA A 79 44.424 35.052 12.962 1.00 0.00 SBOX ATOM 2308 O5' GUA A 79 43.838 32.944 14.230 1.00 0.00 SBOX O ATOM 2309 C5' GUA A 79 42.478 32.931 13.922 1.00 0.00 SBOX C ATOM 2310 H5' GUA A 79 42.381 32.447 12.951 1.00 0.00 SBOX ATOM 2311 H5'' GUA A 79 42.158 33.972 13.959 1.00 0.00 SBOX ATOM 2312 C4' GUA A 79 41.856 32.067 14.944 1.00 0.00 SBOX C ATOM 2313 H4' GUA A 79 40.778 32.078 14.781 1.00 0.00 SBOX ATOM 2314 O4' GUA A 79 42.227 30.707 14.998 1.00 0.00 SBOX O ATOM 2315 C1' GUA A 79 42.082 30.389 16.409 1.00 0.00 SBOX C ATOM 2316 H1' GUA A 79 41.465 29.491 16.458 1.00 0.00 SBOX ATOM 2317 N9 GUA A 79 43.411 30.008 16.947 1.00 0.00 SBOX N ATOM 2318 C8 GUA A 79 44.548 30.405 16.426 1.00 0.00 SBOX C ATOM 2319 H8 GUA A 79 44.770 31.002 15.555 1.00 0.00 SBOX ATOM 2320 N7 GUA A 79 45.664 29.929 16.962 1.00 0.00 SBOX N ATOM 2321 C5 GUA A 79 45.087 29.256 18.040 1.00 0.00 SBOX C ATOM 2322 C6 GUA A 79 45.827 28.693 19.263 1.00 0.00 SBOX C ATOM 2323 O6 GUA A 79 47.029 28.478 19.438 1.00 0.00 SBOX O ATOM 2324 N1 GUA A 79 44.947 28.363 20.290 1.00 0.00 SBOX N ATOM 2325 H1 GUA A 79 45.336 27.870 21.081 1.00 0.00 SBOX ATOM 2326 C2 GUA A 79 43.620 28.365 20.113 1.00 0.00 SBOX C ATOM 2327 N2 GUA A 79 42.887 28.002 21.170 1.00 0.00 SBOX N ATOM 2328 H21 GUA A 79 43.259 27.661 22.046 1.00 0.00 SBOX ATOM 2329 H22 GUA A 79 41.917 28.205 20.977 1.00 0.00 SBOX ATOM 2330 N3 GUA A 79 42.921 28.847 19.111 1.00 0.00 SBOX N ATOM 2331 C4 GUA A 79 43.768 29.345 18.137 1.00 0.00 SBOX C ATOM 2332 C3' GUA A 79 41.930 32.634 16.376 1.00 0.00 SBOX C ATOM 2333 H3' GUA A 79 43.007 32.745 16.502 1.00 0.00 SBOX ATOM 2334 C2' GUA A 79 41.558 31.567 17.249 1.00 0.00 SBOX C ATOM 2335 H2'' GUA A 79 42.032 31.618 18.230 1.00 0.00 SBOX ATOM 2336 O2' GUA A 79 40.212 31.259 17.462 1.00 0.00 SBOX O ATOM 2337 H2' GUA A 79 40.059 30.763 18.269 1.00 0.00 SBOX ATOM 2338 O3' GUA A 79 41.119 33.742 16.610 1.00 0.00 SBOX O ATOM 2339 P URA A 80 41.572 34.834 17.623 1.00 0.00 SBOX P ATOM 2340 O1P URA A 80 42.911 35.206 17.183 1.00 0.00 SBOX ATOM 2341 O2P URA A 80 40.530 35.837 17.689 1.00 0.00 SBOX ATOM 2342 O5' URA A 80 41.749 34.170 19.060 1.00 0.00 SBOX O ATOM 2343 C5' URA A 80 40.671 33.789 19.841 1.00 0.00 SBOX C ATOM 2344 H5' URA A 80 39.897 33.254 19.290 1.00 0.00 SBOX ATOM 2345 H5'' URA A 80 40.170 34.682 20.216 1.00 0.00 SBOX ATOM 2346 C4' URA A 80 41.140 32.892 20.949 1.00 0.00 SBOX C ATOM 2347 H4' URA A 80 40.251 32.371 21.301 1.00 0.00 SBOX ATOM 2348 O4' URA A 80 42.027 31.821 20.521 1.00 0.00 SBOX O ATOM 2349 C1' URA A 80 42.900 31.418 21.561 1.00 0.00 SBOX C ATOM 2350 H1' URA A 80 42.836 30.371 21.856 1.00 0.00 SBOX ATOM 2351 N1 URA A 80 44.317 31.703 21.235 1.00 0.00 SBOX N ATOM 2352 C6 URA A 80 44.667 32.718 20.427 1.00 0.00 SBOX C ATOM 2353 H6 URA A 80 43.879 33.359 20.062 1.00 0.00 SBOX ATOM 2354 C5 URA A 80 45.982 32.885 20.071 1.00 0.00 SBOX C ATOM 2355 H5 URA A 80 46.278 33.730 19.468 1.00 0.00 SBOX ATOM 2356 C4 URA A 80 46.975 31.920 20.466 1.00 0.00 SBOX C ATOM 2357 O4 URA A 80 48.094 31.891 20.079 1.00 0.00 SBOX O ATOM 2358 N3 URA A 80 46.560 31.024 21.350 1.00 0.00 SBOX N ATOM 2359 H3 URA A 80 47.233 30.299 21.557 1.00 0.00 SBOX ATOM 2360 C2 URA A 80 45.293 30.985 21.902 1.00 0.00 SBOX C ATOM 2361 O2 URA A 80 45.213 30.379 22.979 1.00 0.00 SBOX O ATOM 2362 C3' URA A 80 41.810 33.469 22.186 1.00 0.00 SBOX C ATOM 2363 H3' URA A 80 42.565 34.133 21.766 1.00 0.00 SBOX ATOM 2364 C2' URA A 80 42.451 32.165 22.753 1.00 0.00 SBOX C ATOM 2365 H2'' URA A 80 43.228 32.502 23.439 1.00 0.00 SBOX ATOM 2366 O2' URA A 80 41.551 31.401 23.551 1.00 0.00 SBOX O ATOM 2367 H2' URA A 80 42.042 30.944 24.237 1.00 0.00 SBOX ATOM 2368 O3' URA A 80 40.960 34.139 23.011 1.00 0.00 SBOX O ATOM 2369 P URA A 81 41.398 35.171 24.110 1.00 0.00 SBOX P ATOM 2370 O1P URA A 81 42.346 36.095 23.470 1.00 0.00 SBOX ATOM 2371 O2P URA A 81 40.098 35.696 24.497 1.00 0.00 SBOX ATOM 2372 O5' URA A 81 42.153 34.509 25.332 1.00 0.00 SBOX O ATOM 2373 C5' URA A 81 41.571 33.628 26.256 1.00 0.00 SBOX C ATOM 2374 H5' URA A 81 41.054 32.842 25.705 1.00 0.00 SBOX ATOM 2375 H5'' URA A 81 40.830 34.149 26.862 1.00 0.00 SBOX ATOM 2376 C4' URA A 81 42.671 33.035 27.132 1.00 0.00 SBOX C ATOM 2377 H4' URA A 81 42.070 32.599 27.930 1.00 0.00 SBOX ATOM 2378 O4' URA A 81 43.328 32.026 26.529 1.00 0.00 SBOX O ATOM 2379 C1' URA A 81 44.577 32.038 27.034 1.00 0.00 SBOX C ATOM 2380 H1' URA A 81 44.791 31.014 27.341 1.00 0.00 SBOX ATOM 2381 N1 URA A 81 45.615 32.377 26.003 1.00 0.00 SBOX N ATOM 2382 C6 URA A 81 45.412 33.319 24.975 1.00 0.00 SBOX C ATOM 2383 H6 URA A 81 44.444 33.794 24.929 1.00 0.00 SBOX ATOM 2384 C5 URA A 81 46.327 33.595 24.005 1.00 0.00 SBOX C ATOM 2385 H5 URA A 81 46.060 34.216 23.163 1.00 0.00 SBOX ATOM 2386 C4 URA A 81 47.508 32.772 23.841 1.00 0.00 SBOX C ATOM 2387 O4 URA A 81 48.281 32.734 22.943 1.00 0.00 SBOX O ATOM 2388 N3 URA A 81 47.693 31.953 24.897 1.00 0.00 SBOX N ATOM 2389 H3 URA A 81 48.577 31.473 24.979 1.00 0.00 SBOX ATOM 2390 C2 URA A 81 46.815 31.739 26.010 1.00 0.00 SBOX C ATOM 2391 O2 URA A 81 47.228 31.040 26.953 1.00 0.00 SBOX O ATOM 2392 C3' URA A 81 43.569 33.960 27.925 1.00 0.00 SBOX C ATOM 2393 H3' URA A 81 43.856 34.767 27.251 1.00 0.00 SBOX ATOM 2394 C2' URA A 81 44.722 32.974 28.209 1.00 0.00 SBOX C ATOM 2395 H2'' URA A 81 45.750 33.323 28.120 1.00 0.00 SBOX ATOM 2396 O2' URA A 81 44.460 32.171 29.342 1.00 0.00 SBOX O ATOM 2397 H2' URA A 81 45.251 32.324 29.865 1.00 0.00 SBOX ATOM 2398 O3' URA A 81 42.983 34.437 29.127 1.00 0.00 SBOX O ATOM 2399 P GUA A 82 43.837 35.445 29.960 1.00 0.00 SBOX P ATOM 2400 O1P GUA A 82 44.385 36.464 28.978 1.00 0.00 SBOX ATOM 2401 O2P GUA A 82 43.010 35.889 31.131 1.00 0.00 SBOX ATOM 2402 O5' GUA A 82 45.129 34.791 30.506 1.00 0.00 SBOX O ATOM 2403 C5' GUA A 82 45.159 33.947 31.670 1.00 0.00 SBOX C ATOM 2404 H5' GUA A 82 44.299 33.281 31.748 1.00 0.00 SBOX ATOM 2405 H5'' GUA A 82 44.946 34.529 32.567 1.00 0.00 SBOX ATOM 2406 C4' GUA A 82 46.547 33.263 31.751 1.00 0.00 SBOX C ATOM 2407 H4' GUA A 82 46.345 32.554 32.553 1.00 0.00 SBOX ATOM 2408 O4' GUA A 82 46.799 32.530 30.536 1.00 0.00 SBOX O ATOM 2409 C1' GUA A 82 48.195 32.592 30.263 1.00 0.00 SBOX C ATOM 2410 H1' GUA A 82 48.658 31.611 30.371 1.00 0.00 SBOX ATOM 2411 N9 GUA A 82 48.665 33.134 28.976 1.00 0.00 SBOX N ATOM 2412 C8 GUA A 82 48.078 34.101 28.282 1.00 0.00 SBOX C ATOM 2413 H8 GUA A 82 47.233 34.646 28.677 1.00 0.00 SBOX ATOM 2414 N7 GUA A 82 48.683 34.371 27.152 1.00 0.00 SBOX N ATOM 2415 C5 GUA A 82 49.769 33.572 27.118 1.00 0.00 SBOX C ATOM 2416 C6 GUA A 82 50.908 33.471 26.246 1.00 0.00 SBOX C ATOM 2417 O6 GUA A 82 51.167 33.983 25.160 1.00 0.00 SBOX O ATOM 2418 N1 GUA A 82 52.016 32.772 26.820 1.00 0.00 SBOX N ATOM 2419 H1 GUA A 82 52.893 32.946 26.349 1.00 0.00 SBOX ATOM 2420 C2 GUA A 82 51.973 32.169 27.940 1.00 0.00 SBOX C ATOM 2421 N2 GUA A 82 53.084 31.801 28.543 1.00 0.00 SBOX N ATOM 2422 H21 GUA A 82 53.885 31.658 27.945 1.00 0.00 SBOX ATOM 2423 H22 GUA A 82 52.873 31.172 29.305 1.00 0.00 SBOX ATOM 2424 N3 GUA A 82 50.885 32.153 28.750 1.00 0.00 SBOX N ATOM 2425 C4 GUA A 82 49.801 32.832 28.272 1.00 0.00 SBOX C ATOM 2426 C3' GUA A 82 47.696 34.114 32.109 1.00 0.00 SBOX C ATOM 2427 H3' GUA A 82 47.577 35.103 31.668 1.00 0.00 SBOX ATOM 2428 C2' GUA A 82 48.770 33.504 31.355 1.00 0.00 SBOX C ATOM 2429 H2'' GUA A 82 49.216 34.397 30.916 1.00 0.00 SBOX ATOM 2430 O2' GUA A 82 49.718 32.732 32.145 1.00 0.00 SBOX O ATOM 2431 H2' GUA A 82 50.091 33.339 32.788 1.00 0.00 SBOX ATOM 2432 O3' GUA A 82 47.827 34.240 33.531 1.00 0.00 SBOX O ATOM 2433 P ADE A 83 48.679 35.440 34.219 1.00 0.00 SBOX P ATOM 2434 O1P ADE A 83 48.130 36.770 33.807 1.00 0.00 SBOX ATOM 2435 O2P ADE A 83 48.581 35.083 35.663 1.00 0.00 SBOX ATOM 2436 O5' ADE A 83 50.127 35.000 33.736 1.00 0.00 SBOX O ATOM 2437 C5' ADE A 83 51.035 35.782 33.017 1.00 0.00 SBOX C ATOM 2438 H5' ADE A 83 51.322 36.640 33.625 1.00 0.00 SBOX ATOM 2439 H5'' ADE A 83 50.512 36.052 32.100 1.00 0.00 SBOX ATOM 2440 C4' ADE A 83 52.292 34.965 32.630 1.00 0.00 SBOX C ATOM 2441 H4' ADE A 83 52.470 34.140 33.320 1.00 0.00 SBOX ATOM 2442 O4' ADE A 83 51.985 34.419 31.303 1.00 0.00 SBOX O ATOM 2443 C1' ADE A 83 53.233 34.327 30.556 1.00 0.00 SBOX C ATOM 2444 H1' ADE A 83 53.502 33.303 30.299 1.00 0.00 SBOX ATOM 2445 N9 ADE A 83 52.975 35.073 29.326 1.00 0.00 SBOX N ATOM 2446 C8 ADE A 83 51.861 35.791 28.894 1.00 0.00 SBOX C ATOM 2447 H8 ADE A 83 50.965 35.818 29.496 1.00 0.00 SBOX ATOM 2448 N7 ADE A 83 51.963 36.190 27.644 1.00 0.00 SBOX N ATOM 2449 C5 ADE A 83 53.300 35.864 27.297 1.00 0.00 SBOX C ATOM 2450 C6 ADE A 83 54.136 36.024 26.154 1.00 0.00 SBOX C ATOM 2451 N6 ADE A 83 53.834 36.640 25.052 1.00 0.00 SBOX N ATOM 2452 H61 ADE A 83 54.511 36.642 24.303 1.00 0.00 SBOX ATOM 2453 H62 ADE A 83 52.856 36.816 24.875 1.00 0.00 SBOX ATOM 2454 N1 ADE A 83 55.384 35.611 26.132 1.00 0.00 SBOX N ATOM 2455 C2 ADE A 83 55.779 34.969 27.201 1.00 0.00 SBOX C ATOM 2456 H2 ADE A 83 56.812 34.662 27.272 1.00 0.00 SBOX ATOM 2457 N3 ADE A 83 55.090 34.657 28.307 1.00 0.00 SBOX N ATOM 2458 C4 ADE A 83 53.872 35.181 28.333 1.00 0.00 SBOX C ATOM 2459 C3' ADE A 83 53.533 35.786 32.406 1.00 0.00 SBOX C ATOM 2460 H3' ADE A 83 53.131 36.698 31.965 1.00 0.00 SBOX ATOM 2461 C2' ADE A 83 54.356 34.858 31.522 1.00 0.00 SBOX C ATOM 2462 H2'' ADE A 83 55.146 35.410 31.012 1.00 0.00 SBOX ATOM 2463 O2' ADE A 83 54.859 33.751 32.214 1.00 0.00 SBOX O ATOM 2464 H2' ADE A 83 55.326 33.200 31.581 1.00 0.00 SBOX ATOM 2465 O3' ADE A 83 54.126 35.951 33.671 1.00 0.00 SBOX O ATOM 2466 P ADE A 84 55.224 37.101 33.924 1.00 0.00 SBOX P ATOM 2467 O1P ADE A 84 54.449 38.299 33.571 1.00 0.00 SBOX ATOM 2468 O2P ADE A 84 55.840 36.852 35.272 1.00 0.00 SBOX ATOM 2469 O5' ADE A 84 56.304 36.891 32.735 1.00 0.00 SBOX O ATOM 2470 C5' ADE A 84 57.434 36.059 32.764 1.00 0.00 SBOX C ATOM 2471 H5' ADE A 84 57.107 35.021 32.814 1.00 0.00 SBOX ATOM 2472 H5'' ADE A 84 58.020 36.335 33.641 1.00 0.00 SBOX ATOM 2473 C4' ADE A 84 58.313 36.110 31.488 1.00 0.00 SBOX C ATOM 2474 H4' ADE A 84 59.227 35.533 31.632 1.00 0.00 SBOX ATOM 2475 O4' ADE A 84 57.588 35.754 30.258 1.00 0.00 SBOX O ATOM 2476 C1' ADE A 84 58.092 36.575 29.265 1.00 0.00 SBOX C ATOM 2477 H1' ADE A 84 58.412 35.866 28.502 1.00 0.00 SBOX ATOM 2478 N9 ADE A 84 56.961 37.417 28.808 1.00 0.00 SBOX N ATOM 2479 C8 ADE A 84 55.800 37.833 29.407 1.00 0.00 SBOX C ATOM 2480 H8 ADE A 84 55.544 37.463 30.389 1.00 0.00 SBOX ATOM 2481 N7 ADE A 84 55.031 38.588 28.772 1.00 0.00 SBOX N ATOM 2482 C5 ADE A 84 55.755 38.814 27.582 1.00 0.00 SBOX C ATOM 2483 C6 ADE A 84 55.623 39.626 26.453 1.00 0.00 SBOX C ATOM 2484 N6 ADE A 84 54.576 40.390 26.227 1.00 0.00 SBOX N ATOM 2485 H61 ADE A 84 54.529 40.803 25.306 1.00 0.00 SBOX ATOM 2486 H62 ADE A 84 53.721 40.228 26.739 1.00 0.00 SBOX ATOM 2487 N1 ADE A 84 56.574 39.680 25.554 1.00 0.00 SBOX N ATOM 2488 C2 ADE A 84 57.677 38.988 25.713 1.00 0.00 SBOX C ATOM 2489 H2 ADE A 84 58.409 39.162 24.938 1.00 0.00 SBOX ATOM 2490 N3 ADE A 84 57.917 38.118 26.660 1.00 0.00 SBOX N ATOM 2491 C4 ADE A 84 56.926 38.110 27.577 1.00 0.00 SBOX C ATOM 2492 C3' ADE A 84 58.734 37.569 31.173 1.00 0.00 SBOX C ATOM 2493 H3' ADE A 84 57.833 38.157 31.353 1.00 0.00 SBOX ATOM 2494 C2' ADE A 84 59.232 37.458 29.763 1.00 0.00 SBOX C ATOM 2495 H2'' ADE A 84 59.151 38.441 29.299 1.00 0.00 SBOX ATOM 2496 O2' ADE A 84 60.447 36.864 29.380 1.00 0.00 SBOX O ATOM 2497 H2' ADE A 84 60.704 37.028 28.470 1.00 0.00 SBOX ATOM 2498 O3' ADE A 84 59.878 37.938 31.968 1.00 0.00 SBOX O ATOM 2499 P ADE A 85 60.327 39.385 32.171 1.00 0.00 SBOX P ATOM 2500 O1P ADE A 85 59.238 40.100 32.909 1.00 0.00 SBOX ATOM 2501 O2P ADE A 85 61.621 39.506 32.742 1.00 0.00 SBOX ATOM 2502 O5' ADE A 85 60.471 40.187 30.739 1.00 0.00 SBOX O ATOM 2503 C5' ADE A 85 61.488 40.011 29.778 1.00 0.00 SBOX C ATOM 2504 H5' ADE A 85 61.649 39.004 29.395 1.00 0.00 SBOX ATOM 2505 H5'' ADE A 85 62.442 40.394 30.141 1.00 0.00 SBOX ATOM 2506 C4' ADE A 85 61.217 40.948 28.682 1.00 0.00 SBOX C ATOM 2507 H4' ADE A 85 62.123 40.857 28.083 1.00 0.00 SBOX ATOM 2508 O4' ADE A 85 60.030 40.565 27.947 1.00 0.00 SBOX O ATOM 2509 C1' ADE A 85 59.438 41.709 27.425 1.00 0.00 SBOX C ATOM 2510 H1' ADE A 85 59.170 41.633 26.371 1.00 0.00 SBOX ATOM 2511 N9 ADE A 85 58.146 41.905 28.158 1.00 0.00 SBOX N ATOM 2512 C8 ADE A 85 57.669 41.302 29.366 1.00 0.00 SBOX C ATOM 2513 H8 ADE A 85 58.203 40.615 30.005 1.00 0.00 SBOX ATOM 2514 N7 ADE A 85 56.513 41.695 29.724 1.00 0.00 SBOX N ATOM 2515 C5 ADE A 85 56.073 42.464 28.571 1.00 0.00 SBOX C ATOM 2516 C6 ADE A 85 54.867 43.136 28.165 1.00 0.00 SBOX C ATOM 2517 N6 ADE A 85 53.726 43.211 28.709 1.00 0.00 SBOX N ATOM 2518 H61 ADE A 85 53.188 43.946 28.272 1.00 0.00 SBOX ATOM 2519 H62 ADE A 85 53.571 42.749 29.593 1.00 0.00 SBOX ATOM 2520 N1 ADE A 85 54.792 43.912 27.057 1.00 0.00 SBOX N ATOM 2521 C2 ADE A 85 55.892 43.924 26.265 1.00 0.00 SBOX C ATOM 2522 H2 ADE A 85 55.821 44.562 25.396 1.00 0.00 SBOX ATOM 2523 N3 ADE A 85 57.059 43.357 26.453 1.00 0.00 SBOX N ATOM 2524 C4 ADE A 85 57.079 42.637 27.619 1.00 0.00 SBOX C ATOM 2525 C3' ADE A 85 61.194 42.432 28.912 1.00 0.00 SBOX C ATOM 2526 H3' ADE A 85 60.602 42.645 29.803 1.00 0.00 SBOX ATOM 2527 C2' ADE A 85 60.415 42.817 27.626 1.00 0.00 SBOX C ATOM 2528 H2'' ADE A 85 59.940 43.791 27.746 1.00 0.00 SBOX ATOM 2529 O2' ADE A 85 61.285 42.907 26.433 1.00 0.00 SBOX O ATOM 2530 H2' ADE A 85 60.736 43.329 25.769 1.00 0.00 SBOX ATOM 2531 O3' ADE A 85 62.417 43.105 29.173 1.00 0.00 SBOX O ATOM 2532 P GUA A 86 62.452 44.531 29.821 1.00 0.00 SBOX P ATOM 2533 O1P GUA A 86 61.987 44.433 31.191 1.00 0.00 SBOX ATOM 2534 O2P GUA A 86 63.839 45.054 29.572 1.00 0.00 SBOX ATOM 2535 O5' GUA A 86 61.558 45.446 28.974 1.00 0.00 SBOX O ATOM 2536 C5' GUA A 86 61.924 45.917 27.679 1.00 0.00 SBOX C ATOM 2537 H5' GUA A 86 62.237 45.126 26.997 1.00 0.00 SBOX ATOM 2538 H5'' GUA A 86 62.773 46.587 27.813 1.00 0.00 SBOX ATOM 2539 C4' GUA A 86 60.845 46.691 26.956 1.00 0.00 SBOX C ATOM 2540 H4' GUA A 86 61.281 46.931 25.986 1.00 0.00 SBOX ATOM 2541 O4' GUA A 86 59.782 45.804 26.638 1.00 0.00 SBOX O ATOM 2542 C1' GUA A 86 58.524 46.568 26.683 1.00 0.00 SBOX C ATOM 2543 H1' GUA A 86 57.968 46.322 25.779 1.00 0.00 SBOX ATOM 2544 N9 GUA A 86 57.640 46.298 27.849 1.00 0.00 SBOX N ATOM 2545 C8 GUA A 86 58.075 45.605 28.957 1.00 0.00 SBOX C ATOM 2546 H8 GUA A 86 59.008 45.062 29.000 1.00 0.00 SBOX ATOM 2547 N7 GUA A 86 57.165 45.536 29.916 1.00 0.00 SBOX N ATOM 2548 C5 GUA A 86 56.020 46.253 29.419 1.00 0.00 SBOX C ATOM 2549 C6 GUA A 86 54.704 46.381 29.773 1.00 0.00 SBOX C ATOM 2550 O6 GUA A 86 54.154 45.836 30.684 1.00 0.00 SBOX O ATOM 2551 N1 GUA A 86 53.880 47.140 28.998 1.00 0.00 SBOX N ATOM 2552 H1 GUA A 86 53.003 47.434 29.404 1.00 0.00 SBOX ATOM 2553 C2 GUA A 86 54.259 47.694 27.825 1.00 0.00 SBOX C ATOM 2554 N2 GUA A 86 53.487 48.593 27.278 1.00 0.00 SBOX N ATOM 2555 H21 GUA A 86 52.554 48.590 27.663 1.00 0.00 SBOX ATOM 2556 H22 GUA A 86 53.707 48.859 26.329 1.00 0.00 SBOX ATOM 2557 N3 GUA A 86 55.459 47.492 27.329 1.00 0.00 SBOX N ATOM 2558 C4 GUA A 86 56.326 46.759 28.124 1.00 0.00 SBOX C ATOM 2559 C3' GUA A 86 60.208 47.885 27.600 1.00 0.00 SBOX C ATOM 2560 H3' GUA A 86 59.876 47.485 28.558 1.00 0.00 SBOX ATOM 2561 C2' GUA A 86 58.890 48.060 26.773 1.00 0.00 SBOX C ATOM 2562 H2'' GUA A 86 58.163 48.667 27.312 1.00 0.00 SBOX ATOM 2563 O2' GUA A 86 59.030 48.539 25.460 1.00 0.00 SBOX O ATOM 2564 H2' GUA A 86 58.148 48.541 25.081 1.00 0.00 SBOX ATOM 2565 O3' GUA A 86 60.968 49.023 27.718 1.00 0.00 SBOX O ATOM 2566 P ADE A 87 60.549 50.211 28.638 1.00 0.00 SBOX P ATOM 2567 O1P ADE A 87 60.392 49.562 29.942 1.00 0.00 SBOX ATOM 2568 O2P ADE A 87 61.546 51.245 28.584 1.00 0.00 SBOX ATOM 2569 O5' ADE A 87 59.169 50.849 28.298 1.00 0.00 SBOX O ATOM 2570 C5' ADE A 87 58.900 51.556 27.076 1.00 0.00 SBOX C ATOM 2571 H5' ADE A 87 58.927 50.830 26.263 1.00 0.00 SBOX ATOM 2572 H5'' ADE A 87 59.695 52.294 26.973 1.00 0.00 SBOX ATOM 2573 C4' ADE A 87 57.470 52.138 27.094 1.00 0.00 SBOX C ATOM 2574 H4' ADE A 87 57.241 52.757 26.226 1.00 0.00 SBOX ATOM 2575 O4' ADE A 87 56.443 51.148 27.289 1.00 0.00 SBOX O ATOM 2576 C1' ADE A 87 55.278 51.614 27.897 1.00 0.00 SBOX C ATOM 2577 H1' ADE A 87 54.440 51.426 27.226 1.00 0.00 SBOX ATOM 2578 N9 ADE A 87 54.997 50.804 29.151 1.00 0.00 SBOX N ATOM 2579 C8 ADE A 87 55.852 49.920 29.676 1.00 0.00 SBOX C ATOM 2580 H8 ADE A 87 56.852 49.734 29.316 1.00 0.00 SBOX ATOM 2581 N7 ADE A 87 55.322 49.430 30.792 1.00 0.00 SBOX N ATOM 2582 C5 ADE A 87 54.085 50.062 30.889 1.00 0.00 SBOX C ATOM 2583 C6 ADE A 87 53.077 50.117 31.916 1.00 0.00 SBOX C ATOM 2584 N6 ADE A 87 52.986 49.400 33.033 1.00 0.00 SBOX N ATOM 2585 H61 ADE A 87 52.187 49.669 33.590 1.00 0.00 SBOX ATOM 2586 H62 ADE A 87 53.626 48.676 33.326 1.00 0.00 SBOX ATOM 2587 N1 ADE A 87 52.069 51.024 31.909 1.00 0.00 SBOX N ATOM 2588 C2 ADE A 87 51.881 51.694 30.792 1.00 0.00 SBOX C ATOM 2589 H2 ADE A 87 51.031 52.348 30.916 1.00 0.00 SBOX ATOM 2590 N3 ADE A 87 52.734 51.777 29.799 1.00 0.00 SBOX N ATOM 2591 C4 ADE A 87 53.889 50.988 29.954 1.00 0.00 SBOX C ATOM 2592 C3' ADE A 87 57.166 52.999 28.260 1.00 0.00 SBOX C ATOM 2593 H3' ADE A 87 57.456 52.529 29.199 1.00 0.00 SBOX ATOM 2594 C2' ADE A 87 55.647 53.097 28.284 1.00 0.00 SBOX C ATOM 2595 H2'' ADE A 87 55.258 53.381 29.262 1.00 0.00 SBOX ATOM 2596 O2' ADE A 87 55.096 53.791 27.208 1.00 0.00 SBOX O ATOM 2597 H2' ADE A 87 54.336 54.276 27.540 1.00 0.00 SBOX ATOM 2598 O3' ADE A 87 57.742 54.310 28.212 1.00 0.00 SBOX O ATOM 2599 P URA A 88 58.397 54.930 29.527 1.00 0.00 SBOX P ATOM 2600 O1P URA A 88 58.902 53.904 30.430 1.00 0.00 SBOX ATOM 2601 O2P URA A 88 59.254 56.127 29.238 1.00 0.00 SBOX ATOM 2602 O5' URA A 88 57.047 55.420 30.298 1.00 0.00 SBOX O ATOM 2603 C5' URA A 88 56.098 56.377 29.797 1.00 0.00 SBOX C ATOM 2604 H5' URA A 88 55.829 56.113 28.774 1.00 0.00 SBOX ATOM 2605 H5'' URA A 88 56.698 57.283 29.710 1.00 0.00 SBOX ATOM 2606 C4' URA A 88 54.796 56.545 30.581 1.00 0.00 SBOX C ATOM 2607 H4' URA A 88 54.189 57.356 30.180 1.00 0.00 SBOX ATOM 2608 O4' URA A 88 54.118 55.324 30.585 1.00 0.00 SBOX O ATOM 2609 C1' URA A 88 53.376 55.152 31.854 1.00 0.00 SBOX C ATOM 2610 H1' URA A 88 52.295 55.088 31.731 1.00 0.00 SBOX ATOM 2611 N1 URA A 88 53.819 53.943 32.548 1.00 0.00 SBOX N ATOM 2612 C6 URA A 88 55.089 53.485 32.279 1.00 0.00 SBOX C ATOM 2613 H6 URA A 88 55.643 53.834 31.420 1.00 0.00 SBOX ATOM 2614 C5 URA A 88 55.628 52.602 33.093 1.00 0.00 SBOX C ATOM 2615 H5 URA A 88 56.653 52.347 32.871 1.00 0.00 SBOX ATOM 2616 C4 URA A 88 54.884 51.946 34.195 1.00 0.00 SBOX C ATOM 2617 O4 URA A 88 55.314 51.077 34.883 1.00 0.00 SBOX O ATOM 2618 N3 URA A 88 53.660 52.446 34.395 1.00 0.00 SBOX N ATOM 2619 H3 URA A 88 53.046 52.027 35.079 1.00 0.00 SBOX ATOM 2620 C2 URA A 88 53.108 53.502 33.704 1.00 0.00 SBOX C ATOM 2621 O2 URA A 88 52.066 53.987 34.149 1.00 0.00 SBOX O ATOM 2622 C3' URA A 88 55.070 56.802 32.073 1.00 0.00 SBOX C ATOM 2623 H3' URA A 88 55.857 56.158 32.464 1.00 0.00 SBOX ATOM 2624 C2' URA A 88 53.655 56.466 32.562 1.00 0.00 SBOX C ATOM 2625 H2'' URA A 88 53.750 56.250 33.626 1.00 0.00 SBOX ATOM 2626 O2' URA A 88 52.715 57.501 32.164 1.00 0.00 SBOX O ATOM 2627 H2' URA A 88 52.679 58.107 32.907 1.00 0.00 SBOX ATOM 2628 O3' URA A 88 55.470 58.092 32.484 1.00 0.00 SBOX O ATOM 2629 P GUA A 89 55.850 58.505 33.912 1.00 0.00 SBOX P ATOM 2630 O1P GUA A 89 56.773 57.464 34.430 1.00 0.00 SBOX ATOM 2631 O2P GUA A 89 56.174 59.924 34.068 1.00 0.00 SBOX ATOM 2632 O5' GUA A 89 54.637 58.296 34.803 1.00 0.00 SBOX O ATOM 2633 C5' GUA A 89 53.602 59.283 34.754 1.00 0.00 SBOX C ATOM 2634 H5' GUA A 89 53.258 59.337 33.721 1.00 0.00 SBOX ATOM 2635 H5'' GUA A 89 53.885 60.282 35.085 1.00 0.00 SBOX ATOM 2636 C4' GUA A 89 52.505 58.919 35.776 1.00 0.00 SBOX C ATOM 2637 H4' GUA A 89 51.616 59.502 35.539 1.00 0.00 SBOX ATOM 2638 O4' GUA A 89 52.110 57.542 35.526 1.00 0.00 SBOX O ATOM 2639 C1' GUA A 89 51.818 56.960 36.781 1.00 0.00 SBOX C ATOM 2640 H1' GUA A 89 50.818 56.526 36.740 1.00 0.00 SBOX ATOM 2641 N9 GUA A 89 52.767 55.830 36.984 1.00 0.00 SBOX N ATOM 2642 C8 GUA A 89 53.873 55.485 36.272 1.00 0.00 SBOX C ATOM 2643 H8 GUA A 89 54.230 56.105 35.463 1.00 0.00 SBOX ATOM 2644 N7 GUA A 89 54.451 54.378 36.736 1.00 0.00 SBOX N ATOM 2645 C5 GUA A 89 53.726 54.017 37.854 1.00 0.00 SBOX C ATOM 2646 C6 GUA A 89 53.710 52.899 38.766 1.00 0.00 SBOX C ATOM 2647 O6 GUA A 89 54.422 51.946 38.834 1.00 0.00 SBOX O ATOM 2648 N1 GUA A 89 52.755 52.945 39.671 1.00 0.00 SBOX N ATOM 2649 H1 GUA A 89 52.629 52.153 40.285 1.00 0.00 SBOX ATOM 2650 C2 GUA A 89 51.753 53.862 39.732 1.00 0.00 SBOX C ATOM 2651 N2 GUA A 89 50.815 53.614 40.577 1.00 0.00 SBOX N ATOM 2652 H21 GUA A 89 50.855 52.998 41.377 1.00 0.00 SBOX ATOM 2653 H22 GUA A 89 49.965 54.152 40.491 1.00 0.00 SBOX ATOM 2654 N3 GUA A 89 51.623 54.815 38.839 1.00 0.00 SBOX N ATOM 2655 C4 GUA A 89 52.649 54.864 37.970 1.00 0.00 SBOX C ATOM 2656 C3' GUA A 89 52.982 59.008 37.268 1.00 0.00 SBOX C ATOM 2657 H3' GUA A 89 54.010 58.682 37.422 1.00 0.00 SBOX ATOM 2658 C2' GUA A 89 51.912 58.037 37.822 1.00 0.00 SBOX C ATOM 2659 H2'' GUA A 89 52.194 57.674 38.810 1.00 0.00 SBOX ATOM 2660 O2' GUA A 89 50.740 58.752 37.983 1.00 0.00 SBOX O ATOM 2661 H2' GUA A 89 50.781 59.647 37.640 1.00 0.00 SBOX ATOM 2662 O3' GUA A 89 52.789 60.338 37.689 1.00 0.00 SBOX O ATOM 2663 P ADE A 90 53.728 60.883 38.859 1.00 0.00 SBOX P ATOM 2664 O1P ADE A 90 55.049 61.019 38.315 1.00 0.00 SBOX ATOM 2665 O2P ADE A 90 52.994 62.052 39.414 1.00 0.00 SBOX ATOM 2666 O5' ADE A 90 53.717 59.777 39.968 1.00 0.00 SBOX O ATOM 2667 C5' ADE A 90 52.550 59.537 40.835 1.00 0.00 SBOX C ATOM 2668 H5' ADE A 90 51.663 59.545 40.201 1.00 0.00 SBOX ATOM 2669 H5'' ADE A 90 52.471 60.466 41.401 1.00 0.00 SBOX ATOM 2670 C4' ADE A 90 52.606 58.389 41.747 1.00 0.00 SBOX C ATOM 2671 H4' ADE A 90 51.880 58.464 42.556 1.00 0.00 SBOX ATOM 2672 O4' ADE A 90 52.469 57.015 41.249 1.00 0.00 SBOX O ATOM 2673 C1' ADE A 90 53.269 56.071 42.084 1.00 0.00 SBOX C ATOM 2674 H1' ADE A 90 52.654 55.223 42.387 1.00 0.00 SBOX ATOM 2675 N9 ADE A 90 54.533 55.776 41.357 1.00 0.00 SBOX N ATOM 2676 C8 ADE A 90 55.205 56.511 40.423 1.00 0.00 SBOX C ATOM 2677 H8 ADE A 90 54.952 57.529 40.167 1.00 0.00 SBOX ATOM 2678 N7 ADE A 90 56.009 55.810 39.732 1.00 0.00 SBOX N ATOM 2679 C5 ADE A 90 56.096 54.633 40.465 1.00 0.00 SBOX C ATOM 2680 C6 ADE A 90 56.741 53.409 40.365 1.00 0.00 SBOX C ATOM 2681 N6 ADE A 90 57.829 53.135 39.661 1.00 0.00 SBOX N ATOM 2682 H61 ADE A 90 58.068 52.160 39.771 1.00 0.00 SBOX ATOM 2683 H62 ADE A 90 58.132 53.600 38.818 1.00 0.00 SBOX ATOM 2684 N1 ADE A 90 56.627 52.417 41.215 1.00 0.00 SBOX N ATOM 2685 C2 ADE A 90 55.826 52.655 42.229 1.00 0.00 SBOX C ATOM 2686 H2 ADE A 90 55.769 51.870 42.968 1.00 0.00 SBOX ATOM 2687 N3 ADE A 90 55.063 53.710 42.467 1.00 0.00 SBOX N ATOM 2688 C4 ADE A 90 55.273 54.651 41.568 1.00 0.00 SBOX C ATOM 2689 C3' ADE A 90 53.713 58.354 42.749 1.00 0.00 SBOX C ATOM 2690 H3' ADE A 90 54.672 58.553 42.271 1.00 0.00 SBOX ATOM 2691 C2' ADE A 90 53.694 56.907 43.300 1.00 0.00 SBOX C ATOM 2692 H2'' ADE A 90 54.731 56.673 43.540 1.00 0.00 SBOX ATOM 2693 O2' ADE A 90 52.835 56.521 44.399 1.00 0.00 SBOX O ATOM 2694 H2' ADE A 90 53.345 56.648 45.202 1.00 0.00 SBOX ATOM 2695 O3' ADE A 90 53.585 59.385 43.749 1.00 0.00 SBOX O ATOM 2696 P GUA A 91 54.784 60.018 44.469 1.00 0.00 SBOX P ATOM 2697 O1P GUA A 91 55.816 60.371 43.499 1.00 0.00 SBOX ATOM 2698 O2P GUA A 91 54.147 61.007 45.327 1.00 0.00 SBOX ATOM 2699 O5' GUA A 91 55.320 58.811 45.394 1.00 0.00 SBOX O ATOM 2700 C5' GUA A 91 54.613 58.358 46.604 1.00 0.00 SBOX C ATOM 2701 H5' GUA A 91 53.550 58.222 46.408 1.00 0.00 SBOX ATOM 2702 H5'' GUA A 91 54.618 58.966 47.509 1.00 0.00 SBOX ATOM 2703 C4' GUA A 91 55.083 57.005 47.032 1.00 0.00 SBOX C ATOM 2704 H4' GUA A 91 54.406 56.755 47.848 1.00 0.00 SBOX ATOM 2705 O4' GUA A 91 54.990 55.985 46.023 1.00 0.00 SBOX O ATOM 2706 C1' GUA A 91 56.046 54.995 46.122 1.00 0.00 SBOX C ATOM 2707 H1' GUA A 91 55.491 54.058 46.161 1.00 0.00 SBOX ATOM 2708 N9 GUA A 91 56.999 55.082 44.991 1.00 0.00 SBOX N ATOM 2709 C8 GUA A 91 57.259 56.063 44.107 1.00 0.00 SBOX C ATOM 2710 H8 GUA A 91 56.678 56.972 44.148 1.00 0.00 SBOX ATOM 2711 N7 GUA A 91 58.206 55.839 43.229 1.00 0.00 SBOX N ATOM 2712 C5 GUA A 91 58.638 54.603 43.567 1.00 0.00 SBOX C ATOM 2713 C6 GUA A 91 59.379 53.614 42.838 1.00 0.00 SBOX C ATOM 2714 O6 GUA A 91 60.066 53.741 41.900 1.00 0.00 SBOX O ATOM 2715 N1 GUA A 91 59.346 52.322 43.297 1.00 0.00 SBOX N ATOM 2716 H1 GUA A 91 60.019 51.668 42.925 1.00 0.00 SBOX ATOM 2717 C2 GUA A 91 58.678 51.973 44.379 1.00 0.00 SBOX C ATOM 2718 N2 GUA A 91 59.176 50.912 44.966 1.00 0.00 SBOX N ATOM 2719 H21 GUA A 91 59.644 50.258 44.354 1.00 0.00 SBOX ATOM 2720 H22 GUA A 91 58.887 50.686 45.907 1.00 0.00 SBOX ATOM 2721 N3 GUA A 91 57.983 52.815 45.178 1.00 0.00 SBOX N ATOM 2722 C4 GUA A 91 57.954 54.089 44.656 1.00 0.00 SBOX C ATOM 2723 C3' GUA A 91 56.556 56.832 47.531 1.00 0.00 SBOX C ATOM 2724 H3' GUA A 91 57.143 57.198 46.688 1.00 0.00 SBOX ATOM 2725 C2' GUA A 91 56.700 55.289 47.485 1.00 0.00 SBOX C ATOM 2726 H2'' GUA A 91 57.746 54.985 47.520 1.00 0.00 SBOX ATOM 2727 O2' GUA A 91 55.907 54.541 48.473 1.00 0.00 SBOX O ATOM 2728 H2' GUA A 91 55.929 53.599 48.290 1.00 0.00 SBOX ATOM 2729 O3' GUA A 91 56.847 57.541 48.684 1.00 0.00 SBOX O ATOM 2730 P CYT A 92 58.442 57.831 48.942 1.00 0.00 SBOX P ATOM 2731 O1P CYT A 92 59.029 58.593 47.789 1.00 0.00 SBOX ATOM 2732 O2P CYT A 92 58.605 58.437 50.288 1.00 0.00 SBOX ATOM 2733 O5' CYT A 92 59.177 56.465 49.121 1.00 0.00 SBOX O ATOM 2734 C5' CYT A 92 60.583 56.360 48.934 1.00 0.00 SBOX C ATOM 2735 H5' CYT A 92 60.976 56.733 49.880 1.00 0.00 SBOX ATOM 2736 H5'' CYT A 92 60.940 56.981 48.113 1.00 0.00 SBOX ATOM 2737 C4' CYT A 92 60.911 54.867 48.713 1.00 0.00 SBOX C ATOM 2738 H4' CYT A 92 60.638 54.267 49.581 1.00 0.00 SBOX ATOM 2739 O4' CYT A 92 60.380 54.359 47.570 1.00 0.00 SBOX O ATOM 2740 C1' CYT A 92 61.306 53.572 46.808 1.00 0.00 SBOX C ATOM 2741 H1' CYT A 92 60.901 52.577 46.623 1.00 0.00 SBOX ATOM 2742 N1 CYT A 92 61.787 54.256 45.573 1.00 0.00 SBOX N ATOM 2743 C6 CYT A 92 61.579 55.633 45.310 1.00 0.00 SBOX C ATOM 2744 H6 CYT A 92 60.996 56.135 46.068 1.00 0.00 SBOX ATOM 2745 C5 CYT A 92 62.105 56.204 44.217 1.00 0.00 SBOX C ATOM 2746 H5 CYT A 92 61.961 57.259 44.031 1.00 0.00 SBOX ATOM 2747 C4 CYT A 92 62.767 55.278 43.329 1.00 0.00 SBOX C ATOM 2748 N4 CYT A 92 63.302 55.585 42.243 1.00 0.00 SBOX N ATOM 2749 H41 CYT A 92 63.674 54.886 41.617 1.00 0.00 SBOX ATOM 2750 H42 CYT A 92 62.948 56.434 41.826 1.00 0.00 SBOX ATOM 2751 N3 CYT A 92 62.817 54.006 43.553 1.00 0.00 SBOX N ATOM 2752 C2 CYT A 92 62.410 53.485 44.690 1.00 0.00 SBOX C ATOM 2753 O2 CYT A 92 62.548 52.258 44.862 1.00 0.00 SBOX O ATOM 2754 C3' CYT A 92 62.405 54.745 48.541 1.00 0.00 SBOX C ATOM 2755 H3' CYT A 92 62.853 55.602 48.038 1.00 0.00 SBOX ATOM 2756 C2' CYT A 92 62.540 53.443 47.712 1.00 0.00 SBOX C ATOM 2757 H2'' CYT A 92 63.525 53.458 47.245 1.00 0.00 SBOX ATOM 2758 O2' CYT A 92 62.501 52.311 48.588 1.00 0.00 SBOX O ATOM 2759 H2' CYT A 92 62.570 51.463 48.143 1.00 0.00 SBOX ATOM 2760 O3' CYT A 92 63.059 54.741 49.811 1.00 0.00 SBOX O ATOM 2761 P CYT A 93 64.681 54.953 49.914 1.00 0.00 SBOX P ATOM 2762 O1P CYT A 93 64.976 56.041 49.003 1.00 0.00 SBOX ATOM 2763 O2P CYT A 93 65.023 55.222 51.318 1.00 0.00 SBOX ATOM 2764 O5' CYT A 93 65.552 53.666 49.369 1.00 0.00 SBOX O ATOM 2765 C5' CYT A 93 65.562 52.343 49.938 1.00 0.00 SBOX C ATOM 2766 H5' CYT A 93 64.644 51.925 50.352 1.00 0.00 SBOX ATOM 2767 H5'' CYT A 93 66.176 52.214 50.830 1.00 0.00 SBOX ATOM 2768 C4' CYT A 93 66.076 51.331 48.965 1.00 0.00 SBOX C ATOM 2769 H4' CYT A 93 66.016 50.347 49.430 1.00 0.00 SBOX ATOM 2770 O4' CYT A 93 65.150 51.324 47.836 1.00 0.00 SBOX O ATOM 2771 C1' CYT A 93 65.891 50.985 46.672 1.00 0.00 SBOX C ATOM 2772 H1' CYT A 93 65.442 50.093 46.237 1.00 0.00 SBOX ATOM 2773 N1 CYT A 93 65.695 52.007 45.597 1.00 0.00 SBOX N ATOM 2774 C6 CYT A 93 65.888 53.376 45.811 1.00 0.00 SBOX C ATOM 2775 H6 CYT A 93 65.773 53.724 46.827 1.00 0.00 SBOX ATOM 2776 C5 CYT A 93 66.152 54.122 44.702 1.00 0.00 SBOX C ATOM 2777 H5 CYT A 93 66.248 55.194 44.783 1.00 0.00 SBOX ATOM 2778 C4 CYT A 93 66.189 53.506 43.431 1.00 0.00 SBOX C ATOM 2779 N4 CYT A 93 66.188 54.223 42.360 1.00 0.00 SBOX N ATOM 2780 H41 CYT A 93 65.937 53.661 41.560 1.00 0.00 SBOX ATOM 2781 H42 CYT A 93 65.814 55.156 42.462 1.00 0.00 SBOX ATOM 2782 N3 CYT A 93 66.204 52.227 43.229 1.00 0.00 SBOX N ATOM 2783 C2 CYT A 93 65.879 51.526 44.290 1.00 0.00 SBOX C ATOM 2784 O2 CYT A 93 65.612 50.340 44.061 1.00 0.00 SBOX O ATOM 2785 C3' CYT A 93 67.404 51.463 48.394 1.00 0.00 SBOX C ATOM 2786 H3' CYT A 93 67.685 52.502 48.223 1.00 0.00 SBOX ATOM 2787 C2' CYT A 93 67.361 50.790 47.050 1.00 0.00 SBOX C ATOM 2788 H2'' CYT A 93 68.029 51.266 46.333 1.00 0.00 SBOX ATOM 2789 O2' CYT A 93 67.660 49.405 47.093 1.00 0.00 SBOX O ATOM 2790 H2' CYT A 93 67.632 49.117 46.177 1.00 0.00 SBOX ATOM 2791 O3' CYT A 93 68.357 50.916 49.339 1.00 0.00 SBOX O ATOM 2792 O3' ADE A 94 73.917 51.224 46.923 1.00 0.00 SBOX O ATOM 2793 H3T ADE A 94 74.380 51.022 46.107 1.00 0.00 SBOX ATOM 2794 P ADE A 94 69.749 51.612 49.609 1.00 0.00 SBOX P ATOM 2795 O1P ADE A 94 69.393 53.032 49.839 1.00 0.00 SBOX ATOM 2796 O2P ADE A 94 70.436 50.817 50.722 1.00 0.00 SBOX ATOM 2797 O5' ADE A 94 70.408 51.518 48.148 1.00 0.00 SBOX O ATOM 2798 C5' ADE A 94 70.994 50.239 47.789 1.00 0.00 SBOX C ATOM 2799 H5' ADE A 94 70.322 49.383 47.719 1.00 0.00 SBOX ATOM 2800 H5'' ADE A 94 71.871 50.040 48.405 1.00 0.00 SBOX ATOM 2801 C4' ADE A 94 71.668 50.429 46.432 1.00 0.00 SBOX C ATOM 2802 H4' ADE A 94 72.199 49.505 46.201 1.00 0.00 SBOX ATOM 2803 O4' ADE A 94 70.654 50.629 45.446 1.00 0.00 SBOX O ATOM 2804 C1' ADE A 94 71.188 51.561 44.524 1.00 0.00 SBOX C ATOM 2805 H1' ADE A 94 71.307 51.202 43.502 1.00 0.00 SBOX ATOM 2806 N9 ADE A 94 70.387 52.884 44.614 1.00 0.00 SBOX N ATOM 2807 C8 ADE A 94 69.921 53.452 45.738 1.00 0.00 SBOX C ATOM 2808 H8 ADE A 94 70.087 52.950 46.680 1.00 0.00 SBOX ATOM 2809 N7 ADE A 94 69.451 54.665 45.627 1.00 0.00 SBOX N ATOM 2810 C5 ADE A 94 69.557 54.820 44.216 1.00 0.00 SBOX C ATOM 2811 C6 ADE A 94 69.202 55.852 43.352 1.00 0.00 SBOX C ATOM 2812 N6 ADE A 94 68.939 57.094 43.711 1.00 0.00 SBOX N ATOM 2813 H61 ADE A 94 68.864 57.828 43.021 1.00 0.00 SBOX ATOM 2814 H62 ADE A 94 68.667 57.378 44.642 1.00 0.00 SBOX ATOM 2815 N1 ADE A 94 69.451 55.747 42.032 1.00 0.00 SBOX N ATOM 2816 C2 ADE A 94 70.069 54.727 41.500 1.00 0.00 SBOX C ATOM 2817 H2 ADE A 94 70.413 54.708 40.477 1.00 0.00 SBOX ATOM 2818 N3 ADE A 94 70.468 53.700 42.253 1.00 0.00 SBOX N ATOM 2819 C4 ADE A 94 70.154 53.779 43.585 1.00 0.00 SBOX C ATOM 2820 C3' ADE A 94 72.680 51.557 46.381 1.00 0.00 SBOX C ATOM 2821 H3' ADE A 94 72.394 52.510 46.827 1.00 0.00 SBOX ATOM 2822 C2' ADE A 94 72.652 51.818 44.918 1.00 0.00 SBOX C ATOM 2823 H2'' ADE A 94 72.864 52.879 44.788 1.00 0.00 SBOX ATOM 2824 O2' ADE A 94 73.657 50.876 44.321 1.00 0.00 SBOX O ATOM 2825 H2' ADE A 94 73.804 51.287 43.466 1.00 0.00 SBOX ATOM 2826 OH2 TIP3X 401 58.955 10.206 12.806 1.00 0.00 SOLV O ATOM 2827 H1 TIP3X 401 58.284 9.557 12.595 1.00 0.00 SOLV ATOM 2828 H2 TIP3X 401 59.039 10.732 12.011 1.00 0.00 SOLV ATOM 2829 OH2 TIP3X 402 53.818 65.899 49.702 1.00 0.00 SOLV O ATOM 2830 H1 TIP3X 402 52.876 65.992 49.844 1.00 0.00 SOLV ATOM 2831 H2 TIP3X 402 54.139 66.797 49.624 1.00 0.00 SOLV ATOM 2832 OH2 TIP3X 403 48.211 33.691 6.907 1.00 0.00 SOLV O ATOM 2833 H1 TIP3X 403 48.850 34.198 7.409 1.00 0.00 SOLV ATOM 2834 H2 TIP3X 403 47.363 34.055 7.161 1.00 0.00 SOLV ATOM 2835 OH2 TIP3X 404 86.652 36.512 22.294 1.00 0.00 SOLV O ATOM 2836 H1 TIP3X 404 86.849 36.521 21.358 1.00 0.00 SOLV ATOM 2837 H2 TIP3X 404 86.913 37.379 22.603 1.00 0.00 SOLV ATOM 2838 OH2 TIP3X 405 24.132 79.965 33.254 1.00 0.00 SOLV O ATOM 2839 H1 TIP3X 405 23.198 79.820 33.406 1.00 0.00 SOLV ATOM 2840 H2 TIP3X 405 24.262 79.742 32.332 1.00 0.00 SOLV ATOM 2841 OH2 TIP3X 406 44.646 57.347 28.937 1.00 0.00 SOLV O ATOM 2842 H1 TIP3X 406 44.030 58.064 29.091 1.00 0.00 SOLV ATOM 2843 H2 TIP3X 406 45.321 57.728 28.376 1.00 0.00 SOLV ATOM 2844 OH2 TIP3X 407 26.593 39.634 25.160 1.00 0.00 SOLV O ATOM 2845 H1 TIP3X 407 26.860 38.716 25.194 1.00 0.00 SOLV ATOM 2846 H2 TIP3X 407 27.379 40.122 25.403 1.00 0.00 SOLV ATOM 2847 OH2 TIP3X 408 86.518 52.804 3.417 1.00 0.00 SOLV O ATOM 2848 H1 TIP3X 408 87.022 52.278 2.795 1.00 0.00 SOLV ATOM 2849 H2 TIP3X 408 86.840 52.532 4.276 1.00 0.00 SOLV ATOM 2850 OH2 TIP3X 409 55.799 49.158 21.539 1.00 0.00 SOLV O ATOM 2851 H1 TIP3X 409 56.277 49.186 20.710 1.00 0.00 SOLV ATOM 2852 H2 TIP3X 409 55.089 48.534 21.386 1.00 0.00 SOLV ATOM 2853 OH2 TIP3X 410 59.579 90.677 -4.274 1.00 0.00 SOLV O ATOM 2854 H1 TIP3X 410 60.146 90.229 -3.647 1.00 0.00 SOLV ATOM 2855 H2 TIP3X 410 59.710 91.608 -4.094 1.00 0.00 SOLV ATOM 2856 OH2 TIP3X 411 61.658 23.922 39.118 1.00 0.00 SOLV O ATOM 2857 H1 TIP3X 411 61.213 24.286 39.883 1.00 0.00 SOLV ATOM 2858 H2 TIP3X 411 61.081 24.131 38.383 1.00 0.00 SOLV ATOM 2859 OH2 TIP3X 412 79.401 20.101 1.056 1.00 0.00 SOLV O ATOM 2860 H1 TIP3X 412 80.064 20.285 1.722 1.00 0.00 SOLV ATOM 2861 H2 TIP3X 412 79.337 20.912 0.552 1.00 0.00 SOLV ATOM 2862 OH2 TIP3X 413 57.478 35.841 24.350 1.00 0.00 SOLV O ATOM 2863 H1 TIP3X 413 56.908 36.105 25.072 1.00 0.00 SOLV ATOM 2864 H2 TIP3X 413 56.898 35.801 23.589 1.00 0.00 SOLV ATOM 2865 OH2 TIP3X 415 52.607 55.084 26.662 1.00 0.00 SOLV O ATOM 2866 H1 TIP3X 415 52.354 54.165 26.752 1.00 0.00 SOLV ATOM 2867 H2 TIP3X 415 52.624 55.236 25.717 1.00 0.00 SOLV ATOM 2868 OH2 TIP3X 416 32.506 64.704 -10.597 1.00 0.00 SOLV O ATOM 2869 H1 TIP3X 416 31.812 64.195 -11.015 1.00 0.00 SOLV ATOM 2870 H2 TIP3X 416 33.198 64.066 -10.420 1.00 0.00 SOLV ATOM 2871 OH2 TIP3X 417 52.131 44.665 47.169 1.00 0.00 SOLV O ATOM 2872 H1 TIP3X 417 52.858 44.436 47.748 1.00 0.00 SOLV ATOM 2873 H2 TIP3X 417 52.551 44.971 46.365 1.00 0.00 SOLV ATOM 2874 OH2 TIP3X 418 28.416 55.344 25.488 1.00 0.00 SOLV O ATOM 2875 H1 TIP3X 418 29.156 54.842 25.830 1.00 0.00 SOLV ATOM 2876 H2 TIP3X 418 28.294 55.015 24.597 1.00 0.00 SOLV ATOM 2877 OH2 TIP3X 419 58.523 36.942 16.262 1.00 0.00 SOLV O ATOM 2878 H1 TIP3X 419 58.150 37.822 16.323 1.00 0.00 SOLV ATOM 2879 H2 TIP3X 419 57.924 36.392 16.767 1.00 0.00 SOLV ATOM 2880 OH2 TIP3X 420 45.763 52.304 19.478 1.00 0.00 SOLV O ATOM 2881 H1 TIP3X 420 46.530 51.773 19.267 1.00 0.00 SOLV ATOM 2882 H2 TIP3X 420 45.621 52.841 18.698 1.00 0.00 SOLV ATOM 2883 OH2 TIP3X 421 47.476 31.542 43.381 1.00 0.00 SOLV O ATOM 2884 H1 TIP3X 421 48.123 31.958 43.951 1.00 0.00 SOLV ATOM 2885 H2 TIP3X 421 47.205 32.235 42.779 1.00 0.00 SOLV ATOM 2886 OH2 TIP3X 422 27.326 76.561 46.756 1.00 0.00 SOLV O ATOM 2887 H1 TIP3X 422 27.863 75.784 46.606 1.00 0.00 SOLV ATOM 2888 H2 TIP3X 422 26.768 76.621 45.980 1.00 0.00 SOLV ATOM 2889 OH2 TIP3X 423 49.216 54.416 54.802 1.00 0.00 SOLV O ATOM 2890 H1 TIP3X 423 48.648 55.168 54.964 1.00 0.00 SOLV ATOM 2891 H2 TIP3X 423 49.977 54.782 54.350 1.00 0.00 SOLV ATOM 2892 OH2 TIP3X 424 69.666 49.615 22.330 1.00 0.00 SOLV O ATOM 2893 H1 TIP3X 424 68.769 49.285 22.269 1.00 0.00 SOLV ATOM 2894 H2 TIP3X 424 69.778 50.151 21.545 1.00 0.00 SOLV ATOM 2895 OH2 TIP3X 425 27.256 9.083 -10.069 1.00 0.00 SOLV O ATOM 2896 H1 TIP3X 425 27.393 9.748 -10.744 1.00 0.00 SOLV ATOM 2897 H2 TIP3X 425 26.319 8.893 -10.106 1.00 0.00 SOLV ATOM 2898 OH2 TIP3X 426 24.360 25.579 66.859 1.00 0.00 SOLV O ATOM 2899 H1 TIP3X 426 23.966 26.329 66.415 1.00 0.00 SOLV ATOM 2900 H2 TIP3X 426 24.963 25.207 66.215 1.00 0.00 SOLV ATOM 2901 OH2 TIP3X 427 44.048 24.896 13.014 1.00 0.00 SOLV O ATOM 2902 H1 TIP3X 427 44.387 25.670 13.464 1.00 0.00 SOLV ATOM 2903 H2 TIP3X 427 44.746 24.644 12.410 1.00 0.00 SOLV ATOM 2904 OH2 TIP3X 428 69.375 25.667 19.383 1.00 0.00 SOLV O ATOM 2905 H1 TIP3X 428 68.618 25.775 18.806 1.00 0.00 SOLV ATOM 2906 H2 TIP3X 428 69.913 25.004 18.951 1.00 0.00 SOLV ATOM 2907 OH2 TIP3X 429 72.147 32.406 22.065 1.00 0.00 SOLV O ATOM 2908 H1 TIP3X 429 72.256 32.734 22.958 1.00 0.00 SOLV ATOM 2909 H2 TIP3X 429 71.210 32.488 21.892 1.00 0.00 SOLV ATOM 2910 OH2 TIP3X 430 63.034 39.490 -9.972 1.00 0.00 SOLV O ATOM 2911 H1 TIP3X 430 63.603 40.167 -10.339 1.00 0.00 SOLV ATOM 2912 H2 TIP3X 430 62.676 39.884 -9.176 1.00 0.00 SOLV ATOM 2913 OH2 TIP3X 431 24.454 8.103 37.258 1.00 0.00 SOLV O ATOM 2914 H1 TIP3X 431 24.476 7.431 37.939 1.00 0.00 SOLV ATOM 2915 H2 TIP3X 431 23.741 7.833 36.678 1.00 0.00 SOLV ATOM 2916 OH2 TIP3X 432 32.403 26.195 28.176 1.00 0.00 SOLV O ATOM 2917 H1 TIP3X 432 32.201 27.130 28.131 1.00 0.00 SOLV ATOM 2918 H2 TIP3X 432 32.601 25.949 27.273 1.00 0.00 SOLV ATOM 2919 OH2 TIP3X 433 81.726 31.491 -15.218 1.00 0.00 SOLV O ATOM 2920 H1 TIP3X 433 81.442 30.577 -15.251 1.00 0.00 SOLV ATOM 2921 H2 TIP3X 433 81.158 31.895 -14.562 1.00 0.00 SOLV ATOM 2922 OH2 TIP3X 434 79.497 63.736 29.505 1.00 0.00 SOLV O ATOM 2923 H1 TIP3X 434 79.130 63.581 30.376 1.00 0.00 SOLV ATOM 2924 H2 TIP3X 434 79.075 63.083 28.947 1.00 0.00 SOLV ATOM 2925 OH2 TIP3X 435 67.725 12.524 54.967 1.00 0.00 SOLV O ATOM 2926 H1 TIP3X 435 67.792 13.186 55.655 1.00 0.00 SOLV ATOM 2927 H2 TIP3X 435 67.312 12.980 54.233 1.00 0.00 SOLV ATOM 2928 OH2 TIP3X 436 55.461 35.959 22.590 1.00 0.00 SOLV O ATOM 2929 H1 TIP3X 436 54.890 35.599 21.911 1.00 0.00 SOLV ATOM 2930 H2 TIP3X 436 55.499 36.896 22.400 1.00 0.00 SOLV ATOM 2931 OH2 TIP3X 437 64.240 29.259 30.033 1.00 0.00 SOLV O ATOM 2932 H1 TIP3X 437 64.575 29.671 29.237 1.00 0.00 SOLV ATOM 2933 H2 TIP3X 437 63.542 29.843 30.330 1.00 0.00 SOLV ATOM 2934 OH2 TIP3X 438 41.796 58.213 -4.196 1.00 0.00 SOLV O ATOM 2935 H1 TIP3X 438 42.024 57.285 -4.257 1.00 0.00 SOLV ATOM 2936 H2 TIP3X 438 41.477 58.322 -3.300 1.00 0.00 SOLV ATOM 2937 OH2 TIP3X 439 89.952 9.872 -1.556 1.00 0.00 SOLV O ATOM 2938 H1 TIP3X 439 90.847 9.935 -1.890 1.00 0.00 SOLV ATOM 2939 H2 TIP3X 439 89.414 9.741 -2.337 1.00 0.00 SOLV ATOM 2940 OH2 TIP3X 440 44.921 69.797 18.049 1.00 0.00 SOLV O ATOM 2941 H1 TIP3X 440 44.716 68.957 17.638 1.00 0.00 SOLV ATOM 2942 H2 TIP3X 440 45.486 69.571 18.788 1.00 0.00 SOLV ATOM 2943 OH2 TIP3X 441 50.727 55.918 20.157 1.00 0.00 SOLV O ATOM 2944 H1 TIP3X 441 51.561 56.381 20.072 1.00 0.00 SOLV ATOM 2945 H2 TIP3X 441 50.920 55.024 19.875 1.00 0.00 SOLV ATOM 2946 OH2 TIP3X 442 27.598 5.543 28.064 1.00 0.00 SOLV O ATOM 2947 H1 TIP3X 442 26.675 5.344 27.907 1.00 0.00 SOLV ATOM 2948 H2 TIP3X 442 28.033 5.330 27.239 1.00 0.00 SOLV ATOM 2949 OH2 TIP3X 443 49.127 53.023 21.178 1.00 0.00 SOLV O ATOM 2950 H1 TIP3X 443 49.886 53.135 21.750 1.00 0.00 SOLV ATOM 2951 H2 TIP3X 443 49.491 52.690 20.358 1.00 0.00 SOLV ATOM 2952 OH2 TIP3X 444 25.029 21.381 -12.834 1.00 0.00 SOLV O ATOM 2953 H1 TIP3X 444 24.456 21.003 -12.167 1.00 0.00 SOLV ATOM 2954 H2 TIP3X 444 24.572 22.171 -13.123 1.00 0.00 SOLV ATOM 2955 OH2 TIP3X 445 68.964 51.841 17.531 1.00 0.00 SOLV O ATOM 2956 H1 TIP3X 445 68.635 51.946 18.423 1.00 0.00 SOLV ATOM 2957 H2 TIP3X 445 68.350 51.235 17.117 1.00 0.00 SOLV ATOM 2958 OH2 TIP3X 446 82.379 95.292 42.513 1.00 0.00 SOLV O ATOM 2959 H1 TIP3X 446 82.678 94.758 41.776 1.00 0.00 SOLV ATOM 2960 H2 TIP3X 446 81.616 95.761 42.175 1.00 0.00 SOLV ATOM 2961 OH2 TIP3X 447 53.211 29.188 19.475 1.00 0.00 SOLV O ATOM 2962 H1 TIP3X 447 52.501 29.815 19.613 1.00 0.00 SOLV ATOM 2963 H2 TIP3X 447 53.943 29.537 19.983 1.00 0.00 SOLV ATOM 2964 OH2 TIP3X 448 60.099 52.853 -4.741 1.00 0.00 SOLV O ATOM 2965 H1 TIP3X 448 59.317 53.316 -5.041 1.00 0.00 SOLV ATOM 2966 H2 TIP3X 448 59.963 52.735 -3.801 1.00 0.00 SOLV ATOM 2967 OH2 TIP3X 449 67.539 52.028 56.681 1.00 0.00 SOLV O ATOM 2968 H1 TIP3X 449 68.001 51.879 55.856 1.00 0.00 SOLV ATOM 2969 H2 TIP3X 449 67.098 52.869 56.561 1.00 0.00 SOLV ATOM 2970 OH2 TIP3X 450 35.886 90.751 11.311 1.00 0.00 SOLV O ATOM 2971 H1 TIP3X 450 36.575 90.780 11.975 1.00 0.00 SOLV ATOM 2972 H2 TIP3X 450 35.172 90.267 11.727 1.00 0.00 SOLV ATOM 2973 OH2 TIP3X 451 41.015 62.910 63.948 1.00 0.00 SOLV O ATOM 2974 H1 TIP3X 451 41.384 62.334 63.279 1.00 0.00 SOLV ATOM 2975 H2 TIP3X 451 40.883 63.746 63.501 1.00 0.00 SOLV ATOM 2976 OH2 TIP3X 452 66.695 76.215 67.175 1.00 0.00 SOLV O ATOM 2977 H1 TIP3X 452 67.621 76.377 67.355 1.00 0.00 SOLV ATOM 2978 H2 TIP3X 452 66.563 76.543 66.285 1.00 0.00 SOLV ATOM 2979 OH2 TIP3X 453 57.462 71.069 26.336 1.00 0.00 SOLV O ATOM 2980 H1 TIP3X 453 57.218 70.145 26.284 1.00 0.00 SOLV ATOM 2981 H2 TIP3X 453 57.778 71.284 25.458 1.00 0.00 SOLV ATOM 2982 OH2 TIP3X 454 57.929 50.823 23.466 1.00 0.00 SOLV O ATOM 2983 H1 TIP3X 454 57.611 51.187 22.641 1.00 0.00 SOLV ATOM 2984 H2 TIP3X 454 57.699 49.895 23.424 1.00 0.00 SOLV ATOM 2985 OH2 TIP3X 455 52.192 55.195 23.581 1.00 0.00 SOLV O ATOM 2986 H1 TIP3X 455 52.886 55.212 22.922 1.00 0.00 SOLV ATOM 2987 H2 TIP3X 455 51.590 55.890 23.314 1.00 0.00 SOLV ATOM 2988 OH2 TIP3X 456 36.749 33.468 36.323 1.00 0.00 SOLV O ATOM 2989 H1 TIP3X 456 37.265 34.047 35.762 1.00 0.00 SOLV ATOM 2990 H2 TIP3X 456 36.876 33.814 37.206 1.00 0.00 SOLV ATOM 2991 OH2 TIP3X 457 65.019 26.618 11.330 1.00 0.00 SOLV O ATOM 2992 H1 TIP3X 457 64.197 26.211 11.604 1.00 0.00 SOLV ATOM 2993 H2 TIP3X 457 64.750 27.406 10.858 1.00 0.00 SOLV ATOM 2994 OH2 TIP3X 458 48.691 20.334 46.954 1.00 0.00 SOLV O ATOM 2995 H1 TIP3X 458 48.668 19.891 47.802 1.00 0.00 SOLV ATOM 2996 H2 TIP3X 458 47.802 20.668 46.833 1.00 0.00 SOLV ATOM 2997 OH2 TIP3X 459 49.442 54.927 25.108 1.00 0.00 SOLV O ATOM 2998 H1 TIP3X 459 49.599 55.367 24.273 1.00 0.00 SOLV ATOM 2999 H2 TIP3X 459 49.701 54.019 24.953 1.00 0.00 SOLV ATOM 3000 OH2 TIP3X 460 62.525 45.589 33.625 1.00 0.00 SOLV O ATOM 3001 H1 TIP3X 460 62.333 45.157 32.792 1.00 0.00 SOLV ATOM 3002 H2 TIP3X 460 61.781 46.174 33.769 1.00 0.00 SOLV ATOM 3003 OH2 TIP3X 461 73.358 69.965 18.300 1.00 0.00 SOLV O ATOM 3004 H1 TIP3X 461 72.467 69.895 17.957 1.00 0.00 SOLV ATOM 3005 H2 TIP3X 461 73.463 69.193 18.856 1.00 0.00 SOLV ATOM 3006 OH2 TIP3X 462 78.591 48.680 32.096 1.00 0.00 SOLV O ATOM 3007 H1 TIP3X 462 78.236 48.784 32.979 1.00 0.00 SOLV ATOM 3008 H2 TIP3X 462 79.369 49.236 32.083 1.00 0.00 SOLV ATOM 3009 OH2 TIP3X 463 45.007 66.851 17.955 1.00 0.00 SOLV O ATOM 3010 H1 TIP3X 463 44.408 66.710 17.222 1.00 0.00 SOLV ATOM 3011 H2 TIP3X 463 44.983 66.030 18.446 1.00 0.00 SOLV ATOM 3012 OH2 TIP3X 464 25.612 14.116 -1.142 1.00 0.00 SOLV O ATOM 3013 H1 TIP3X 464 24.866 14.701 -1.275 1.00 0.00 SOLV ATOM 3014 H2 TIP3X 464 26.259 14.402 -1.787 1.00 0.00 SOLV ATOM 3015 OH2 TIP3X 465 79.781 62.683 61.050 1.00 0.00 SOLV O ATOM 3016 H1 TIP3X 465 79.147 62.215 60.507 1.00 0.00 SOLV ATOM 3017 H2 TIP3X 465 79.926 62.107 61.800 1.00 0.00 SOLV ATOM 3018 OH2 TIP3X 466 29.377 39.756 19.038 1.00 0.00 SOLV O ATOM 3019 H1 TIP3X 466 28.955 40.034 18.226 1.00 0.00 SOLV ATOM 3020 H2 TIP3X 466 28.791 39.091 19.398 1.00 0.00 SOLV ATOM 3021 OH2 TIP3X 467 56.353 40.217 33.142 1.00 0.00 SOLV O ATOM 3022 H1 TIP3X 467 55.587 39.676 33.333 1.00 0.00 SOLV ATOM 3023 H2 TIP3X 467 56.160 40.616 32.294 1.00 0.00 SOLV ATOM 3024 OH2 TIP3X 468 34.396 28.780 42.192 1.00 0.00 SOLV O ATOM 3025 H1 TIP3X 468 33.561 28.993 41.774 1.00 0.00 SOLV ATOM 3026 H2 TIP3X 468 35.006 28.664 41.463 1.00 0.00 SOLV ATOM 3027 OH2 TIP3X 469 52.367 45.601 10.293 1.00 0.00 SOLV O ATOM 3028 H1 TIP3X 469 53.132 46.058 9.943 1.00 0.00 SOLV ATOM 3029 H2 TIP3X 469 52.562 45.483 11.223 1.00 0.00 SOLV ATOM 3030 OH2 TIP3X 470 26.966 22.172 37.630 1.00 0.00 SOLV O ATOM 3031 H1 TIP3X 470 26.764 21.326 38.029 1.00 0.00 SOLV ATOM 3032 H2 TIP3X 470 26.172 22.692 37.755 1.00 0.00 SOLV ATOM 3033 OH2 TIP3X 471 83.627 16.289 64.675 1.00 0.00 SOLV O ATOM 3034 H1 TIP3X 471 83.417 15.539 64.119 1.00 0.00 SOLV ATOM 3035 H2 TIP3X 471 83.925 15.903 65.498 1.00 0.00 SOLV ATOM 3036 OH2 TIP3X 472 48.559 43.692 25.251 1.00 0.00 SOLV O ATOM 3037 H1 TIP3X 472 48.157 44.276 24.608 1.00 0.00 SOLV ATOM 3038 H2 TIP3X 472 49.084 43.086 24.728 1.00 0.00 SOLV ATOM 3039 OH2 TIP3X 473 33.036 76.896 -14.738 1.00 0.00 SOLV O ATOM 3040 H1 TIP3X 473 32.372 77.426 -15.180 1.00 0.00 SOLV ATOM 3041 H2 TIP3X 473 33.554 77.528 -14.239 1.00 0.00 SOLV ATOM 3042 OH2 TIP3X 474 58.238 55.090 33.591 1.00 0.00 SOLV O ATOM 3043 H1 TIP3X 474 57.534 55.624 33.960 1.00 0.00 SOLV ATOM 3044 H2 TIP3X 474 58.143 55.188 32.644 1.00 0.00 SOLV ATOM 3045 OH2 TIP3X 475 32.918 61.622 13.302 1.00 0.00 SOLV O ATOM 3046 H1 TIP3X 475 33.786 61.710 13.696 1.00 0.00 SOLV ATOM 3047 H2 TIP3X 475 32.425 62.370 13.639 1.00 0.00 SOLV ATOM 3048 OH2 TIP3X 476 73.122 33.127 -16.063 1.00 0.00 SOLV O ATOM 3049 H1 TIP3X 476 72.244 32.972 -16.413 1.00 0.00 SOLV ATOM 3050 H2 TIP3X 476 73.378 33.976 -16.426 1.00 0.00 SOLV ATOM 3051 OH2 TIP3X 477 46.084 68.118 -7.364 1.00 0.00 SOLV O ATOM 3052 H1 TIP3X 477 46.650 67.908 -6.621 1.00 0.00 SOLV ATOM 3053 H2 TIP3X 477 46.211 69.056 -7.505 1.00 0.00 SOLV ATOM 3054 OH2 TIP3X 478 89.705 79.599 12.620 1.00 0.00 SOLV O ATOM 3055 H1 TIP3X 478 89.064 79.300 11.976 1.00 0.00 SOLV ATOM 3056 H2 TIP3X 478 90.529 79.198 12.343 1.00 0.00 SOLV ATOM 3057 OH2 TIP3X 479 40.344 49.517 28.671 1.00 0.00 SOLV O ATOM 3058 H1 TIP3X 479 39.613 49.041 28.277 1.00 0.00 SOLV ATOM 3059 H2 TIP3X 479 40.755 49.977 27.939 1.00 0.00 SOLV ATOM 3060 OH2 TIP3X 480 52.515 56.887 17.177 1.00 0.00 SOLV O ATOM 3061 H1 TIP3X 480 51.766 56.337 17.407 1.00 0.00 SOLV ATOM 3062 H2 TIP3X 480 53.129 56.291 16.749 1.00 0.00 SOLV ATOM 3063 OH2 TIP3X 481 73.208 1.461 42.262 1.00 0.00 SOLV O ATOM 3064 H1 TIP3X 481 72.917 1.702 43.141 1.00 0.00 SOLV ATOM 3065 H2 TIP3X 481 72.493 1.736 41.688 1.00 0.00 SOLV ATOM 3066 OH2 TIP3X 482 67.654 86.221 58.021 1.00 0.00 SOLV O ATOM 3067 H1 TIP3X 482 66.859 86.038 57.520 1.00 0.00 SOLV ATOM 3068 H2 TIP3X 482 67.828 87.149 57.863 1.00 0.00 SOLV ATOM 3069 OH2 TIP3X 483 83.589 66.171 28.975 1.00 0.00 SOLV O ATOM 3070 H1 TIP3X 483 82.697 66.281 28.644 1.00 0.00 SOLV ATOM 3071 H2 TIP3X 483 83.904 65.371 28.554 1.00 0.00 SOLV ATOM 3072 OH2 TIP3X 484 36.983 85.478 61.985 1.00 0.00 SOLV O ATOM 3073 H1 TIP3X 484 36.203 85.216 61.497 1.00 0.00 SOLV ATOM 3074 H2 TIP3X 484 37.642 84.822 61.756 1.00 0.00 SOLV ATOM 3075 OH2 TIP3X 485 66.499 68.822 46.203 1.00 0.00 SOLV O ATOM 3076 H1 TIP3X 485 66.418 68.084 45.600 1.00 0.00 SOLV ATOM 3077 H2 TIP3X 485 65.996 69.525 45.792 1.00 0.00 SOLV ATOM 3078 OH2 TIP3X 486 29.219 30.314 34.456 1.00 0.00 SOLV O ATOM 3079 H1 TIP3X 486 29.424 30.897 35.187 1.00 0.00 SOLV ATOM 3080 H2 TIP3X 486 28.526 30.765 33.975 1.00 0.00 SOLV ATOM 3081 OH2 TIP3X 487 41.162 50.509 26.228 1.00 0.00 SOLV O ATOM 3082 H1 TIP3X 487 40.420 50.389 25.636 1.00 0.00 SOLV ATOM 3083 H2 TIP3X 487 41.840 50.910 25.685 1.00 0.00 SOLV ATOM 3084 OH2 TIP3X 488 22.673 62.704 -16.312 1.00 0.00 SOLV O ATOM 3085 H1 TIP3X 488 22.318 62.260 -17.082 1.00 0.00 SOLV ATOM 3086 H2 TIP3X 488 22.607 63.636 -16.521 1.00 0.00 SOLV ATOM 3087 OH2 TIP3X 489 49.180 44.851 38.318 1.00 0.00 SOLV O ATOM 3088 H1 TIP3X 489 49.793 45.581 38.401 1.00 0.00 SOLV ATOM 3089 H2 TIP3X 489 49.070 44.735 37.374 1.00 0.00 SOLV ATOM 3090 MG MG X 205 45.106 52.295 21.424 1.00 0.00 IONSMG ATOM 3091 MG MG X 206 58.039 40.584 34.177 1.00 0.00 IONSMG ATOM 3092 C4' SAM X 301 49.308 54.360 32.036 1.00 0.00 SAM C ATOM 3093 H4' SAM X 301 50.217 53.804 32.276 1.00 0.00 SAM ATOM 3094 O4' SAM X 301 49.595 55.801 31.958 1.00 0.00 SAM O ATOM 3095 C1' SAM X 301 49.584 56.422 33.272 1.00 0.00 SAM C ATOM 3096 H1' SAM X 301 50.648 56.418 33.549 1.00 0.00 SAM ATOM 3097 N9 SAM X 301 49.037 57.733 32.950 1.00 0.00 SAM N ATOM 3098 C5 SAM X 301 48.045 59.423 31.951 1.00 0.00 SAM C ATOM 3099 N7 SAM X 301 49.286 59.926 32.231 1.00 0.00 SAM N ATOM 3100 C8 SAM X 301 49.866 58.935 32.925 1.00 0.00 SAM C ATOM 3101 H8 SAM X 301 50.917 58.993 33.162 1.00 0.00 SAM ATOM 3102 N1 SAM X 301 45.727 59.442 31.156 1.00 0.00 SAM N ATOM 3103 C2 SAM X 301 45.674 58.217 31.662 1.00 0.00 SAM C ATOM 3104 H2 SAM X 301 44.719 57.701 31.660 1.00 0.00 SAM ATOM 3105 N3 SAM X 301 46.627 57.558 32.316 1.00 0.00 SAM N ATOM 3106 C4 SAM X 301 47.816 58.145 32.451 1.00 0.00 SAM C ATOM 3107 C6 SAM X 301 46.905 60.008 31.382 1.00 0.00 SAM C ATOM 3108 N6 SAM X 301 46.847 61.203 30.893 1.00 0.00 SAM N ATOM 3109 H61 SAM X 301 47.670 61.795 30.895 1.00 0.00 SAM ATOM 3110 H62 SAM X 301 45.933 61.528 30.600 1.00 0.00 SAM ATOM 3111 C2' SAM X 301 48.686 55.552 34.158 1.00 0.00 SAM C ATOM 3112 H2'' SAM X 301 47.851 56.176 34.487 1.00 0.00 SAM ATOM 3113 O2' SAM X 301 49.440 55.100 35.264 1.00 0.00 SAM O ATOM 3114 H2' SAM X 301 49.280 54.160 35.369 1.00 0.00 SAM ATOM 3115 N SAM X 301 49.282 58.831 28.724 1.00 0.00 SAM N ATOM 3116 HT1 SAM X 301 50.307 58.738 28.816 1.00 0.00 SAM ATOM 3117 HT2 SAM X 301 49.312 59.789 28.337 1.00 0.00 SAM ATOM 3118 HT3 SAM X 301 48.879 58.955 29.667 1.00 0.00 SAM ATOM 3119 CA SAM X 301 48.706 57.728 27.794 1.00 0.00 SAM C ATOM 3120 HA SAM X 301 49.412 57.451 27.010 1.00 0.00 SAM ATOM 3121 CB SAM X 301 48.471 56.457 28.688 1.00 0.00 SAM C ATOM 3122 HB1 SAM X 301 48.128 56.708 29.694 1.00 0.00 SAM ATOM 3123 HB2 SAM X 301 47.730 55.867 28.146 1.00 0.00 SAM ATOM 3124 CG SAM X 301 49.785 55.630 28.690 1.00 0.00 SAM C ATOM 3125 HG1 SAM X 301 50.185 55.583 27.674 1.00 0.00 SAM ATOM 3126 HG2 SAM X 301 50.481 56.208 29.305 1.00 0.00 SAM ATOM 3127 SD SAM X 301 49.531 53.951 29.280 1.00 0.00 SAM S ATOM 3128 C5' SAM X 301 48.484 53.988 30.752 1.00 0.00 SAM C ATOM 3129 H5' SAM X 301 48.116 52.961 30.810 1.00 0.00 SAM ATOM 3130 H5'' SAM X 301 47.628 54.641 30.562 1.00 0.00 SAM ATOM 3131 CE SAM X 301 48.401 53.216 28.168 1.00 0.00 SAM C ATOM 3132 HE1 SAM X 301 47.390 53.498 28.473 1.00 0.00 SAM ATOM 3133 HE2 SAM X 301 48.487 52.135 28.301 1.00 0.00 SAM ATOM 3134 HE3 SAM X 301 48.558 53.467 27.116 1.00 0.00 SAM ATOM 3135 C3' SAM X 301 48.272 54.467 33.165 1.00 0.00 SAM C ATOM 3136 H3' SAM X 301 47.316 54.754 32.720 1.00 0.00 SAM ATOM 3137 O3' SAM X 301 48.212 53.216 33.827 1.00 0.00 SAM O ATOM 3138 H3T SAM X 301 47.475 53.263 34.441 1.00 0.00 SAM ATOM 3139 C SAM X 301 47.317 57.995 27.089 1.00 0.00 SAM C ATOM 3140 OXT SAM X 301 46.565 58.889 27.560 1.00 0.00 SAM O ATOM 3141 O SAM X 301 46.901 57.283 26.189 1.00 0.00 SAM O ATOM 3142 OH2 TIP3 1 26.443 96.382 10.068 1.00 0.00 WT1 O ATOM 3143 H1 TIP3 1 25.975 96.403 9.233 1.00 0.00 WT1 H ATOM 3144 H2 TIP3 1 25.759 96.498 10.729 1.00 0.00 WT1 H ATOM 3145 OH2 TIP3 2 26.112 22.601 56.459 1.00 0.00 WT1 O ATOM 3146 H1 TIP3 2 25.324 22.174 56.795 1.00 0.00 WT1 H ATOM 3147 H2 TIP3 2 26.833 22.059 56.779 1.00 0.00 WT1 H ATOM 3148 OH2 TIP3 3 86.433 86.730 33.076 1.00 0.00 WT1 O ATOM 3149 H1 TIP3 3 85.523 86.705 33.372 1.00 0.00 WT1 H ATOM 3150 H2 TIP3 3 86.436 86.218 32.267 1.00 0.00 WT1 H ATOM 3151 OH2 TIP3 4 84.982 86.041 12.665 1.00 0.00 WT1 O ATOM 3152 H1 TIP3 4 84.307 86.199 12.005 1.00 0.00 WT1 H ATOM 3153 H2 TIP3 4 85.459 86.869 12.723 1.00 0.00 WT1 H ATOM 3154 OH2 TIP3 5 90.476 6.110 58.414 1.00 0.00 WT1 O ATOM 3155 H1 TIP3 5 90.092 6.879 57.993 1.00 0.00 WT1 H ATOM 3156 H2 TIP3 5 91.374 6.079 58.084 1.00 0.00 WT1 H ATOM 3157 OH2 TIP3 6 50.733 7.190 -5.567 1.00 0.00 WT1 O ATOM 3158 H1 TIP3 6 50.903 6.498 -4.928 1.00 0.00 WT1 H ATOM 3159 H2 TIP3 6 50.787 6.751 -6.416 1.00 0.00 WT1 H ATOM 3160 OH2 TIP3 7 70.650 76.921 33.268 1.00 0.00 WT1 O ATOM 3161 H1 TIP3 7 71.488 76.783 33.708 1.00 0.00 WT1 H ATOM 3162 H2 TIP3 7 70.013 76.990 33.979 1.00 0.00 WT1 H ATOM 3163 OH2 TIP3 8 66.517 13.828 6.072 1.00 0.00 WT1 O ATOM 3164 H1 TIP3 8 66.297 14.709 5.770 1.00 0.00 WT1 H ATOM 3165 H2 TIP3 8 65.674 13.435 6.298 1.00 0.00 WT1 H ATOM 3166 OH2 TIP3 9 36.371 15.232 -5.262 1.00 0.00 WT1 O ATOM 3167 H1 TIP3 9 35.863 15.426 -4.474 1.00 0.00 WT1 H ATOM 3168 H2 TIP3 9 36.431 14.277 -5.280 1.00 0.00 WT1 H ATOM 3169 OH2 TIP3 10 20.246 91.826 20.861 1.00 0.00 WT1 O ATOM 3170 H1 TIP3 10 20.997 92.397 20.695 1.00 0.00 WT1 H ATOM 3171 H2 TIP3 10 19.679 92.338 21.438 1.00 0.00 WT1 H ATOM 3172 OH2 TIP3 11 35.739 47.551 13.374 1.00 0.00 WT1 O ATOM 3173 H1 TIP3 11 36.528 47.350 13.877 1.00 0.00 WT1 H ATOM 3174 H2 TIP3 11 35.997 48.271 12.799 1.00 0.00 WT1 H ATOM 3175 OH2 TIP3 12 51.528 32.977 43.588 1.00 0.00 WT1 O ATOM 3176 H1 TIP3 12 51.349 32.717 42.684 1.00 0.00 WT1 H ATOM 3177 H2 TIP3 12 51.239 33.889 43.636 1.00 0.00 WT1 H ATOM 3178 OH2 TIP3 13 47.317 95.287 -8.872 1.00 0.00 WT1 O ATOM 3179 H1 TIP3 13 47.372 94.432 -9.299 1.00 0.00 WT1 H ATOM 3180 H2 TIP3 13 46.920 95.105 -8.020 1.00 0.00 WT1 H ATOM 3181 OH2 TIP3 14 33.258 61.490 44.038 1.00 0.00 WT1 O ATOM 3182 H1 TIP3 14 33.836 61.349 43.289 1.00 0.00 WT1 H ATOM 3183 H2 TIP3 14 32.434 61.791 43.653 1.00 0.00 WT1 H ATOM 3184 OH2 TIP3 15 37.441 22.611 41.588 1.00 0.00 WT1 O ATOM 3185 H1 TIP3 15 37.689 23.521 41.754 1.00 0.00 WT1 H ATOM 3186 H2 TIP3 15 38.193 22.237 41.129 1.00 0.00 WT1 H ATOM 3187 OH2 TIP3 16 28.375 53.329 20.502 1.00 0.00 WT1 O ATOM 3188 H1 TIP3 16 29.297 53.074 20.548 1.00 0.00 WT1 H ATOM 3189 H2 TIP3 16 28.217 53.491 19.572 1.00 0.00 WT1 H ATOM 3190 OH2 TIP3 17 84.077 5.985 39.345 1.00 0.00 WT1 O ATOM 3191 H1 TIP3 17 84.929 5.551 39.383 1.00 0.00 WT1 H ATOM 3192 H2 TIP3 17 84.011 6.308 38.446 1.00 0.00 WT1 H ATOM 3193 OH2 TIP3 18 65.469 96.343 43.243 1.00 0.00 WT1 O ATOM 3194 H1 TIP3 18 65.066 95.614 43.715 1.00 0.00 WT1 H ATOM 3195 H2 TIP3 18 64.911 96.470 42.476 1.00 0.00 WT1 H ATOM 3196 OH2 TIP3 19 29.654 10.561 38.416 1.00 0.00 WT1 O ATOM 3197 H1 TIP3 19 29.721 11.191 39.133 1.00 0.00 WT1 H ATOM 3198 H2 TIP3 19 30.560 10.338 38.206 1.00 0.00 WT1 H ATOM 3199 OH2 TIP3 20 35.356 49.314 31.259 1.00 0.00 WT1 O ATOM 3200 H1 TIP3 20 36.161 49.828 31.330 1.00 0.00 WT1 H ATOM 3201 H2 TIP3 20 35.655 48.426 31.067 1.00 0.00 WT1 H ATOM 3202 OH2 TIP3 21 56.115 11.846 -18.148 1.00 0.00 WT1 O ATOM 3203 H1 TIP3 21 57.062 11.893 -18.018 1.00 0.00 WT1 H ATOM 3204 H2 TIP3 21 55.799 11.312 -17.418 1.00 0.00 WT1 H ATOM 3205 OH2 TIP3 22 41.407 18.564 1.699 1.00 0.00 WT1 O ATOM 3206 H1 TIP3 22 42.313 18.382 1.450 1.00 0.00 WT1 H ATOM 3207 H2 TIP3 22 41.470 18.932 2.581 1.00 0.00 WT1 H ATOM 3208 OH2 TIP3 23 36.417 92.522 65.895 1.00 0.00 WT1 O ATOM 3209 H1 TIP3 23 36.051 92.427 65.016 1.00 0.00 WT1 H ATOM 3210 H2 TIP3 23 37.341 92.290 65.796 1.00 0.00 WT1 H ATOM 3211 OH2 TIP3 24 80.463 61.841 4.942 1.00 0.00 WT1 O ATOM 3212 H1 TIP3 24 79.794 62.423 4.582 1.00 0.00 WT1 H ATOM 3213 H2 TIP3 24 81.288 62.178 4.592 1.00 0.00 WT1 H ATOM 3214 OH2 TIP3 25 42.687 81.313 17.659 1.00 0.00 WT1 O ATOM 3215 H1 TIP3 25 42.779 80.748 18.427 1.00 0.00 WT1 H ATOM 3216 H2 TIP3 25 43.481 81.156 17.149 1.00 0.00 WT1 H ATOM 3217 OH2 TIP3 26 86.564 74.677 4.103 1.00 0.00 WT1 O ATOM 3218 H1 TIP3 26 86.771 73.898 4.620 1.00 0.00 WT1 H ATOM 3219 H2 TIP3 26 86.855 74.462 3.217 1.00 0.00 WT1 H ATOM 3220 OH2 TIP3 27 89.043 18.166 -14.422 1.00 0.00 WT1 O ATOM 3221 H1 TIP3 27 89.721 17.557 -14.715 1.00 0.00 WT1 H ATOM 3222 H2 TIP3 27 89.042 18.083 -13.469 1.00 0.00 WT1 H ATOM 3223 OH2 TIP3 28 49.893 85.551 -20.139 1.00 0.00 WT1 O ATOM 3224 H1 TIP3 28 49.470 84.894 -19.586 1.00 0.00 WT1 H ATOM 3225 H2 TIP3 28 50.756 85.677 -19.744 1.00 0.00 WT1 H ATOM 3226 OH2 TIP3 29 52.928 65.826 -4.408 1.00 0.00 WT1 O ATOM 3227 H1 TIP3 29 53.614 65.809 -3.741 1.00 0.00 WT1 H ATOM 3228 H2 TIP3 29 52.267 66.424 -4.059 1.00 0.00 WT1 H ATOM 3229 OH2 TIP3 30 77.425 29.256 20.871 1.00 0.00 WT1 O ATOM 3230 H1 TIP3 30 77.941 28.493 21.132 1.00 0.00 WT1 H ATOM 3231 H2 TIP3 30 76.655 29.231 21.439 1.00 0.00 WT1 H ATOM 3232 OH2 TIP3 31 67.248 67.562 16.107 1.00 0.00 WT1 O ATOM 3233 H1 TIP3 31 67.412 66.623 16.190 1.00 0.00 WT1 H ATOM 3234 H2 TIP3 31 67.461 67.763 15.196 1.00 0.00 WT1 H ATOM 3235 OH2 TIP3 32 54.542 90.102 38.050 1.00 0.00 WT1 O ATOM 3236 H1 TIP3 32 54.808 89.952 38.957 1.00 0.00 WT1 H ATOM 3237 H2 TIP3 32 54.260 89.243 37.737 1.00 0.00 WT1 H ATOM 3238 OH2 TIP3 33 33.893 41.892 55.937 1.00 0.00 WT1 O ATOM 3239 H1 TIP3 33 33.266 41.676 55.247 1.00 0.00 WT1 H ATOM 3240 H2 TIP3 33 33.858 42.846 56.004 1.00 0.00 WT1 H ATOM 3241 OH2 TIP3 34 33.318 4.604 34.659 1.00 0.00 WT1 O ATOM 3242 H1 TIP3 34 32.548 5.073 34.337 1.00 0.00 WT1 H ATOM 3243 H2 TIP3 34 33.800 4.363 33.868 1.00 0.00 WT1 H ATOM 3244 OH2 TIP3 35 50.390 20.382 22.657 1.00 0.00 WT1 O ATOM 3245 H1 TIP3 35 50.738 21.150 22.205 1.00 0.00 WT1 H ATOM 3246 H2 TIP3 35 50.006 20.730 23.462 1.00 0.00 WT1 H ATOM 3247 OH2 TIP3 38 21.437 31.716 -8.180 1.00 0.00 WT1 O ATOM 3248 H1 TIP3 38 20.793 31.281 -7.621 1.00 0.00 WT1 H ATOM 3249 H2 TIP3 38 21.721 31.038 -8.792 1.00 0.00 WT1 H ATOM 3250 OH2 TIP3 39 37.200 25.970 1.137 1.00 0.00 WT1 O ATOM 3251 H1 TIP3 39 36.361 26.003 1.596 1.00 0.00 WT1 H ATOM 3252 H2 TIP3 39 37.839 26.270 1.785 1.00 0.00 WT1 H ATOM 3253 OH2 TIP3 40 86.407 45.336 -2.496 1.00 0.00 WT1 O ATOM 3254 H1 TIP3 40 86.248 44.416 -2.705 1.00 0.00 WT1 H ATOM 3255 H2 TIP3 40 85.542 45.744 -2.538 1.00 0.00 WT1 H ATOM 3256 OH2 TIP3 41 47.953 81.293 66.909 1.00 0.00 WT1 O ATOM 3257 H1 TIP3 41 47.633 81.690 67.719 1.00 0.00 WT1 H ATOM 3258 H2 TIP3 41 48.273 80.431 67.174 1.00 0.00 WT1 H ATOM 3259 OH2 TIP3 42 30.563 38.512 3.901 1.00 0.00 WT1 O ATOM 3260 H1 TIP3 42 30.063 39.213 3.482 1.00 0.00 WT1 H ATOM 3261 H2 TIP3 42 31.464 38.834 3.912 1.00 0.00 WT1 H ATOM 3262 OH2 TIP3 43 24.770 0.536 -2.003 1.00 0.00 WT1 O ATOM 3263 H1 TIP3 43 25.047 0.273 -1.126 1.00 0.00 WT1 H ATOM 3264 H2 TIP3 43 25.586 0.733 -2.464 1.00 0.00 WT1 H ATOM 3265 OH2 TIP3 44 26.328 95.850 -11.024 1.00 0.00 WT1 O ATOM 3266 H1 TIP3 44 25.595 95.234 -11.053 1.00 0.00 WT1 H ATOM 3267 H2 TIP3 44 26.163 96.383 -10.246 1.00 0.00 WT1 H ATOM 3268 OH2 TIP3 45 84.048 14.335 -15.080 1.00 0.00 WT1 O ATOM 3269 H1 TIP3 45 83.178 14.541 -14.738 1.00 0.00 WT1 H ATOM 3270 H2 TIP3 45 84.263 15.074 -15.650 1.00 0.00 WT1 H ATOM 3271 OH2 TIP3 46 28.714 39.643 -14.430 1.00 0.00 WT1 O ATOM 3272 H1 TIP3 46 29.589 39.505 -14.792 1.00 0.00 WT1 H ATOM 3273 H2 TIP3 46 28.259 40.164 -15.091 1.00 0.00 WT1 H ATOM 3274 OH2 TIP3 47 41.366 60.739 3.140 1.00 0.00 WT1 O ATOM 3275 H1 TIP3 47 41.333 61.533 3.674 1.00 0.00 WT1 H ATOM 3276 H2 TIP3 47 41.757 60.080 3.715 1.00 0.00 WT1 H ATOM 3277 OH2 TIP3 48 50.437 33.313 53.899 1.00 0.00 WT1 O ATOM 3278 H1 TIP3 48 50.044 33.054 53.065 1.00 0.00 WT1 H ATOM 3279 H2 TIP3 48 51.348 33.511 53.683 1.00 0.00 WT1 H ATOM 3280 OH2 TIP3 49 32.443 5.364 4.859 1.00 0.00 WT1 O ATOM 3281 H1 TIP3 49 31.528 5.169 5.062 1.00 0.00 WT1 H ATOM 3282 H2 TIP3 49 32.402 5.928 4.086 1.00 0.00 WT1 H ATOM 3283 OH2 TIP3 50 89.707 33.913 -14.078 1.00 0.00 WT1 O ATOM 3284 H1 TIP3 50 90.321 33.182 -14.135 1.00 0.00 WT1 H ATOM 3285 H2 TIP3 50 89.983 34.513 -14.772 1.00 0.00 WT1 H ATOM 3286 OH2 TIP3 51 85.394 84.859 9.587 1.00 0.00 WT1 O ATOM 3287 H1 TIP3 51 86.193 85.134 10.036 1.00 0.00 WT1 H ATOM 3288 H2 TIP3 51 85.516 83.922 9.433 1.00 0.00 WT1 H ATOM 3289 OH2 TIP3 52 32.014 92.149 1.632 1.00 0.00 WT1 O ATOM 3290 H1 TIP3 52 31.718 91.360 1.179 1.00 0.00 WT1 H ATOM 3291 H2 TIP3 52 31.764 92.010 2.545 1.00 0.00 WT1 H ATOM 3292 OH2 TIP3 53 40.208 58.369 -6.446 1.00 0.00 WT1 O ATOM 3293 H1 TIP3 53 39.583 58.837 -5.892 1.00 0.00 WT1 H ATOM 3294 H2 TIP3 53 40.912 58.113 -5.849 1.00 0.00 WT1 H ATOM 3295 OH2 TIP3 54 67.885 69.145 -16.446 1.00 0.00 WT1 O ATOM 3296 H1 TIP3 54 68.375 69.367 -17.238 1.00 0.00 WT1 H ATOM 3297 H2 TIP3 54 67.023 69.538 -16.580 1.00 0.00 WT1 H ATOM 3298 OH2 TIP3 56 31.525 25.062 64.263 1.00 0.00 WT1 O ATOM 3299 H1 TIP3 56 30.899 24.491 63.818 1.00 0.00 WT1 H ATOM 3300 H2 TIP3 56 31.278 25.015 65.187 1.00 0.00 WT1 H ATOM 3301 OH2 TIP3 57 55.916 30.708 56.537 1.00 0.00 WT1 O ATOM 3302 H1 TIP3 57 56.197 29.948 56.027 1.00 0.00 WT1 H ATOM 3303 H2 TIP3 57 56.673 31.294 56.531 1.00 0.00 WT1 H ATOM 3304 OH2 TIP3 58 29.211 92.513 11.971 1.00 0.00 WT1 O ATOM 3305 H1 TIP3 58 28.556 92.585 12.665 1.00 0.00 WT1 H ATOM 3306 H2 TIP3 58 28.701 92.508 11.161 1.00 0.00 WT1 H ATOM 3307 OH2 TIP3 59 56.540 32.501 29.886 1.00 0.00 WT1 O ATOM 3308 H1 TIP3 59 56.544 31.646 29.457 1.00 0.00 WT1 H ATOM 3309 H2 TIP3 59 56.276 33.113 29.199 1.00 0.00 WT1 H ATOM 3310 OH2 TIP3 60 25.719 16.845 63.859 1.00 0.00 WT1 O ATOM 3311 H1 TIP3 60 25.826 16.491 62.976 1.00 0.00 WT1 H ATOM 3312 H2 TIP3 60 25.209 17.645 63.736 1.00 0.00 WT1 H ATOM 3313 OH2 TIP3 61 67.074 89.976 -12.398 1.00 0.00 WT1 O ATOM 3314 H1 TIP3 61 66.869 89.883 -13.329 1.00 0.00 WT1 H ATOM 3315 H2 TIP3 61 67.593 89.200 -12.188 1.00 0.00 WT1 H ATOM 3316 OH2 TIP3 62 74.498 10.582 -4.744 1.00 0.00 WT1 O ATOM 3317 H1 TIP3 62 74.118 9.705 -4.715 1.00 0.00 WT1 H ATOM 3318 H2 TIP3 62 73.901 11.121 -4.225 1.00 0.00 WT1 H ATOM 3319 OH2 TIP3 63 44.770 8.623 49.825 1.00 0.00 WT1 O ATOM 3320 H1 TIP3 63 44.284 7.831 49.595 1.00 0.00 WT1 H ATOM 3321 H2 TIP3 63 45.187 8.414 50.661 1.00 0.00 WT1 H ATOM 3322 OH2 TIP3 64 61.824 67.729 27.103 1.00 0.00 WT1 O ATOM 3323 H1 TIP3 64 61.780 67.022 27.747 1.00 0.00 WT1 H ATOM 3324 H2 TIP3 64 61.012 67.649 26.603 1.00 0.00 WT1 H ATOM 3325 OH2 TIP3 65 34.277 52.284 -13.102 1.00 0.00 WT1 O ATOM 3326 H1 TIP3 65 33.327 52.269 -13.223 1.00 0.00 WT1 H ATOM 3327 H2 TIP3 65 34.511 51.372 -12.928 1.00 0.00 WT1 H ATOM 3328 OH2 TIP3 66 71.320 27.345 -14.379 1.00 0.00 WT1 O ATOM 3329 H1 TIP3 66 71.600 28.212 -14.086 1.00 0.00 WT1 H ATOM 3330 H2 TIP3 66 71.799 26.736 -13.817 1.00 0.00 WT1 H ATOM 3331 OH2 TIP3 67 45.838 5.279 14.058 1.00 0.00 WT1 O ATOM 3332 H1 TIP3 67 45.144 5.052 13.439 1.00 0.00 WT1 H ATOM 3333 H2 TIP3 67 45.629 6.170 14.337 1.00 0.00 WT1 H ATOM 3334 OH2 TIP3 68 27.814 86.489 6.455 1.00 0.00 WT1 O ATOM 3335 H1 TIP3 68 27.362 86.910 7.186 1.00 0.00 WT1 H ATOM 3336 H2 TIP3 68 28.396 87.166 6.110 1.00 0.00 WT1 H ATOM 3337 OH2 TIP3 69 42.727 35.003 54.789 1.00 0.00 WT1 O ATOM 3338 H1 TIP3 69 43.531 35.188 54.304 1.00 0.00 WT1 H ATOM 3339 H2 TIP3 69 42.893 34.164 55.218 1.00 0.00 WT1 H ATOM 3340 OH2 TIP3 70 87.248 44.126 14.439 1.00 0.00 WT1 O ATOM 3341 H1 TIP3 70 86.533 44.460 13.898 1.00 0.00 WT1 H ATOM 3342 H2 TIP3 70 86.931 43.283 14.763 1.00 0.00 WT1 H ATOM 3343 OH2 TIP3 71 84.573 19.237 38.110 1.00 0.00 WT1 O ATOM 3344 H1 TIP3 71 84.307 20.120 38.364 1.00 0.00 WT1 H ATOM 3345 H2 TIP3 71 85.394 19.360 37.634 1.00 0.00 WT1 H ATOM 3346 OH2 TIP3 72 37.207 80.645 9.269 1.00 0.00 WT1 O ATOM 3347 H1 TIP3 72 37.384 80.863 10.184 1.00 0.00 WT1 H ATOM 3348 H2 TIP3 72 37.231 79.688 9.241 1.00 0.00 WT1 H ATOM 3349 OH2 TIP3 73 42.469 40.814 18.790 1.00 0.00 WT1 O ATOM 3350 H1 TIP3 73 43.242 40.328 19.077 1.00 0.00 WT1 H ATOM 3351 H2 TIP3 73 41.777 40.155 18.734 1.00 0.00 WT1 H ATOM 3352 OH2 TIP3 74 60.770 83.523 19.251 1.00 0.00 WT1 O ATOM 3353 H1 TIP3 74 60.686 83.725 18.320 1.00 0.00 WT1 H ATOM 3354 H2 TIP3 74 60.035 83.978 19.663 1.00 0.00 WT1 H ATOM 3355 OH2 TIP3 75 35.007 19.588 8.448 1.00 0.00 WT1 O ATOM 3356 H1 TIP3 75 35.277 19.118 9.237 1.00 0.00 WT1 H ATOM 3357 H2 TIP3 75 34.859 20.486 8.743 1.00 0.00 WT1 H ATOM 3358 OH2 TIP3 76 84.771 38.012 5.335 1.00 0.00 WT1 O ATOM 3359 H1 TIP3 76 84.584 38.901 5.035 1.00 0.00 WT1 H ATOM 3360 H2 TIP3 76 85.084 37.556 4.553 1.00 0.00 WT1 H ATOM 3361 OH2 TIP3 77 26.617 47.906 43.771 1.00 0.00 WT1 O ATOM 3362 H1 TIP3 77 27.279 48.569 43.970 1.00 0.00 WT1 H ATOM 3363 H2 TIP3 77 26.857 47.157 44.316 1.00 0.00 WT1 H ATOM 3364 OH2 TIP3 78 61.289 44.218 8.502 1.00 0.00 WT1 O ATOM 3365 H1 TIP3 78 61.367 44.580 9.385 1.00 0.00 WT1 H ATOM 3366 H2 TIP3 78 61.460 43.283 8.610 1.00 0.00 WT1 H ATOM 3367 OH2 TIP3 79 79.925 14.811 4.164 1.00 0.00 WT1 O ATOM 3368 H1 TIP3 79 79.336 14.424 4.812 1.00 0.00 WT1 H ATOM 3369 H2 TIP3 79 79.713 15.744 4.174 1.00 0.00 WT1 H ATOM 3370 OH2 TIP3 80 84.941 82.684 -8.124 1.00 0.00 WT1 O ATOM 3371 H1 TIP3 80 85.194 83.602 -8.224 1.00 0.00 WT1 H ATOM 3372 H2 TIP3 80 84.172 82.707 -7.554 1.00 0.00 WT1 H ATOM 3373 OH2 TIP3 81 78.785 27.099 36.521 1.00 0.00 WT1 O ATOM 3374 H1 TIP3 81 78.203 27.289 35.785 1.00 0.00 WT1 H ATOM 3375 H2 TIP3 81 79.245 26.300 36.262 1.00 0.00 WT1 H ATOM 3376 OH2 TIP3 82 75.334 53.600 55.981 1.00 0.00 WT1 O ATOM 3377 H1 TIP3 82 75.959 53.787 56.681 1.00 0.00 WT1 H ATOM 3378 H2 TIP3 82 74.969 54.454 55.749 1.00 0.00 WT1 H ATOM 3379 OH2 TIP3 83 56.271 10.682 47.070 1.00 0.00 WT1 O ATOM 3380 H1 TIP3 83 56.891 11.063 47.692 1.00 0.00 WT1 H ATOM 3381 H2 TIP3 83 55.482 10.519 47.587 1.00 0.00 WT1 H ATOM 3382 OH2 TIP3 84 28.358 7.646 37.914 1.00 0.00 WT1 O ATOM 3383 H1 TIP3 84 28.295 8.577 38.126 1.00 0.00 WT1 H ATOM 3384 H2 TIP3 84 28.508 7.218 38.757 1.00 0.00 WT1 H ATOM 3385 OH2 TIP3 85 39.304 81.193 56.064 1.00 0.00 WT1 O ATOM 3386 H1 TIP3 85 38.635 80.813 55.495 1.00 0.00 WT1 H ATOM 3387 H2 TIP3 85 39.482 82.054 55.684 1.00 0.00 WT1 H ATOM 3388 OH2 TIP3 86 75.319 55.506 51.160 1.00 0.00 WT1 O ATOM 3389 H1 TIP3 86 74.466 55.498 50.726 1.00 0.00 WT1 H ATOM 3390 H2 TIP3 86 75.946 55.660 50.454 1.00 0.00 WT1 H ATOM 3391 OH2 TIP3 87 80.737 15.622 -6.366 1.00 0.00 WT1 O ATOM 3392 H1 TIP3 87 80.865 14.945 -7.031 1.00 0.00 WT1 H ATOM 3393 H2 TIP3 87 79.863 15.449 -6.014 1.00 0.00 WT1 H ATOM 3394 OH2 TIP3 88 23.451 72.952 35.909 1.00 0.00 WT1 O ATOM 3395 H1 TIP3 88 23.916 73.436 35.227 1.00 0.00 WT1 H ATOM 3396 H2 TIP3 88 24.079 72.293 36.206 1.00 0.00 WT1 H ATOM 3397 OH2 TIP3 89 56.662 81.334 -18.401 1.00 0.00 WT1 O ATOM 3398 H1 TIP3 89 56.837 80.571 -17.850 1.00 0.00 WT1 H ATOM 3399 H2 TIP3 89 57.518 81.745 -18.521 1.00 0.00 WT1 H ATOM 3400 OH2 TIP3 90 76.029 6.905 -3.021 1.00 0.00 WT1 O ATOM 3401 H1 TIP3 90 76.199 7.785 -3.356 1.00 0.00 WT1 H ATOM 3402 H2 TIP3 90 76.195 6.970 -2.080 1.00 0.00 WT1 H ATOM 3403 OH2 TIP3 91 40.564 17.988 -7.417 1.00 0.00 WT1 O ATOM 3404 H1 TIP3 91 40.154 18.740 -6.989 1.00 0.00 WT1 H ATOM 3405 H2 TIP3 91 41.503 18.133 -7.307 1.00 0.00 WT1 H ATOM 3406 OH2 TIP3 92 81.105 41.598 11.933 1.00 0.00 WT1 O ATOM 3407 H1 TIP3 92 81.809 41.516 12.576 1.00 0.00 WT1 H ATOM 3408 H2 TIP3 92 81.496 41.304 11.110 1.00 0.00 WT1 H ATOM 3409 OH2 TIP3 93 42.657 89.587 47.353 1.00 0.00 WT1 O ATOM 3410 H1 TIP3 93 43.372 89.988 47.848 1.00 0.00 WT1 H ATOM 3411 H2 TIP3 93 43.077 89.226 46.573 1.00 0.00 WT1 H ATOM 3412 OH2 TIP3 94 85.693 45.671 28.416 1.00 0.00 WT1 O ATOM 3413 H1 TIP3 94 85.408 45.261 29.232 1.00 0.00 WT1 H ATOM 3414 H2 TIP3 94 85.897 46.574 28.660 1.00 0.00 WT1 H ATOM 3415 OH2 TIP3 95 42.459 72.237 58.957 1.00 0.00 WT1 O ATOM 3416 H1 TIP3 95 42.749 72.599 58.120 1.00 0.00 WT1 H ATOM 3417 H2 TIP3 95 42.235 73.003 59.485 1.00 0.00 WT1 H ATOM 3418 OH2 TIP3 96 52.559 55.002 -8.416 1.00 0.00 WT1 O ATOM 3419 H1 TIP3 96 52.178 54.176 -8.714 1.00 0.00 WT1 H ATOM 3420 H2 TIP3 96 52.738 55.488 -9.222 1.00 0.00 WT1 H ATOM 3421 OH2 TIP3 97 83.690 75.328 10.771 1.00 0.00 WT1 O ATOM 3422 H1 TIP3 97 84.444 74.739 10.768 1.00 0.00 WT1 H ATOM 3423 H2 TIP3 97 83.880 75.965 10.082 1.00 0.00 WT1 H ATOM 3424 OH2 TIP3 98 30.102 44.994 18.273 1.00 0.00 WT1 O ATOM 3425 H1 TIP3 98 29.973 45.941 18.219 1.00 0.00 WT1 H ATOM 3426 H2 TIP3 98 30.873 44.826 17.731 1.00 0.00 WT1 H ATOM 3427 OH2 TIP3 99 68.339 16.155 33.807 1.00 0.00 WT1 O ATOM 3428 H1 TIP3 99 67.787 15.513 34.254 1.00 0.00 WT1 H ATOM 3429 H2 TIP3 99 69.226 15.962 34.109 1.00 0.00 WT1 H ATOM 3430 OH2 TIP3 100 67.205 68.747 52.866 1.00 0.00 WT1 O ATOM 3431 H1 TIP3 100 67.712 69.556 52.782 1.00 0.00 WT1 H ATOM 3432 H2 TIP3 100 67.366 68.278 52.047 1.00 0.00 WT1 H ATOM 3433 OH2 TIP3 101 28.233 47.245 49.409 1.00 0.00 WT1 O ATOM 3434 H1 TIP3 101 28.745 47.241 48.601 1.00 0.00 WT1 H ATOM 3435 H2 TIP3 101 28.885 47.195 50.107 1.00 0.00 WT1 H ATOM 3436 OH2 TIP3 102 82.124 9.034 49.011 1.00 0.00 WT1 O ATOM 3437 H1 TIP3 102 81.352 8.749 48.522 1.00 0.00 WT1 H ATOM 3438 H2 TIP3 102 82.647 9.520 48.373 1.00 0.00 WT1 H ATOM 3439 OH2 TIP3 103 53.184 72.242 -17.439 1.00 0.00 WT1 O ATOM 3440 H1 TIP3 103 52.914 72.065 -16.538 1.00 0.00 WT1 H ATOM 3441 H2 TIP3 103 53.764 73.001 -17.371 1.00 0.00 WT1 H ATOM 3442 OH2 TIP3 104 26.465 78.167 40.039 1.00 0.00 WT1 O ATOM 3443 H1 TIP3 104 27.384 78.276 40.285 1.00 0.00 WT1 H ATOM 3444 H2 TIP3 104 26.371 78.673 39.232 1.00 0.00 WT1 H ATOM 3445 OH2 TIP3 105 57.868 11.494 7.585 1.00 0.00 WT1 O ATOM 3446 H1 TIP3 105 58.429 10.846 8.012 1.00 0.00 WT1 H ATOM 3447 H2 TIP3 105 57.830 11.212 6.671 1.00 0.00 WT1 H ATOM 3448 OH2 TIP3 106 73.132 10.046 66.841 1.00 0.00 WT1 O ATOM 3449 H1 TIP3 106 72.521 10.194 67.563 1.00 0.00 WT1 H ATOM 3450 H2 TIP3 106 72.881 9.194 66.484 1.00 0.00 WT1 H ATOM 3451 OH2 TIP3 107 25.299 20.980 -1.079 1.00 0.00 WT1 O ATOM 3452 H1 TIP3 107 26.186 20.798 -0.770 1.00 0.00 WT1 H ATOM 3453 H2 TIP3 107 25.015 21.735 -0.564 1.00 0.00 WT1 H ATOM 3454 OH2 TIP3 108 73.287 41.694 19.573 1.00 0.00 WT1 O ATOM 3455 H1 TIP3 108 72.738 41.171 18.989 1.00 0.00 WT1 H ATOM 3456 H2 TIP3 108 72.915 41.552 20.443 1.00 0.00 WT1 H ATOM 3457 OH2 TIP3 109 87.100 71.434 16.359 1.00 0.00 WT1 O ATOM 3458 H1 TIP3 109 86.173 71.482 16.128 1.00 0.00 WT1 H ATOM 3459 H2 TIP3 109 87.454 70.748 15.793 1.00 0.00 WT1 H ATOM 3460 OH2 TIP3 110 37.843 1.159 11.581 1.00 0.00 WT1 O ATOM 3461 H1 TIP3 110 38.685 1.612 11.633 1.00 0.00 WT1 H ATOM 3462 H2 TIP3 110 37.937 0.409 12.168 1.00 0.00 WT1 H ATOM 3463 OH2 TIP3 111 86.459 42.066 45.549 1.00 0.00 WT1 O ATOM 3464 H1 TIP3 111 85.639 41.666 45.837 1.00 0.00 WT1 H ATOM 3465 H2 TIP3 111 87.119 41.718 46.149 1.00 0.00 WT1 H ATOM 3466 OH2 TIP3 112 29.209 39.507 7.889 1.00 0.00 WT1 O ATOM 3467 H1 TIP3 112 28.390 39.997 7.817 1.00 0.00 WT1 H ATOM 3468 H2 TIP3 112 29.893 40.156 7.725 1.00 0.00 WT1 H ATOM 3469 OH2 TIP3 113 76.954 53.028 20.624 1.00 0.00 WT1 O ATOM 3470 H1 TIP3 113 76.193 53.587 20.779 1.00 0.00 WT1 H ATOM 3471 H2 TIP3 113 77.578 53.278 21.306 1.00 0.00 WT1 H ATOM 3472 OH2 TIP3 114 20.635 40.250 34.631 1.00 0.00 WT1 O ATOM 3473 H1 TIP3 114 21.314 40.598 35.209 1.00 0.00 WT1 H ATOM 3474 H2 TIP3 114 20.618 39.311 34.817 1.00 0.00 WT1 H ATOM 3475 OH2 TIP3 115 60.379 10.392 4.856 1.00 0.00 WT1 O ATOM 3476 H1 TIP3 115 60.222 11.334 4.924 1.00 0.00 WT1 H ATOM 3477 H2 TIP3 115 59.504 10.004 4.834 1.00 0.00 WT1 H ATOM 3478 OH2 TIP3 116 70.442 88.529 -15.190 1.00 0.00 WT1 O ATOM 3479 H1 TIP3 116 69.562 88.318 -15.500 1.00 0.00 WT1 H ATOM 3480 H2 TIP3 116 70.483 88.153 -14.311 1.00 0.00 WT1 H ATOM 3481 OH2 TIP3 117 78.060 46.419 2.609 1.00 0.00 WT1 O ATOM 3482 H1 TIP3 117 78.590 46.285 1.822 1.00 0.00 WT1 H ATOM 3483 H2 TIP3 117 78.591 46.995 3.159 1.00 0.00 WT1 H ATOM 3484 OH2 TIP3 118 45.809 36.190 -1.410 1.00 0.00 WT1 O ATOM 3485 H1 TIP3 118 45.999 36.926 -0.828 1.00 0.00 WT1 H ATOM 3486 H2 TIP3 118 45.762 35.431 -0.829 1.00 0.00 WT1 H ATOM 3487 OH2 TIP3 119 76.484 56.025 33.139 1.00 0.00 WT1 O ATOM 3488 H1 TIP3 119 76.043 55.953 32.293 1.00 0.00 WT1 H ATOM 3489 H2 TIP3 119 75.773 56.088 33.776 1.00 0.00 WT1 H ATOM 3490 OH2 TIP3 120 65.991 53.091 -1.678 1.00 0.00 WT1 O ATOM 3491 H1 TIP3 120 65.517 52.260 -1.653 1.00 0.00 WT1 H ATOM 3492 H2 TIP3 120 65.931 53.374 -2.590 1.00 0.00 WT1 H ATOM 3493 OH2 TIP3 121 88.645 60.469 30.888 1.00 0.00 WT1 O ATOM 3494 H1 TIP3 121 89.358 59.879 30.645 1.00 0.00 WT1 H ATOM 3495 H2 TIP3 121 87.873 59.905 30.939 1.00 0.00 WT1 H ATOM 3496 OH2 TIP3 122 34.346 4.814 44.900 1.00 0.00 WT1 O ATOM 3497 H1 TIP3 122 33.914 5.477 44.361 1.00 0.00 WT1 H ATOM 3498 H2 TIP3 122 34.992 4.416 44.317 1.00 0.00 WT1 H ATOM 3499 OH2 TIP3 123 76.693 67.736 19.430 1.00 0.00 WT1 O ATOM 3500 H1 TIP3 123 75.790 67.537 19.678 1.00 0.00 WT1 H ATOM 3501 H2 TIP3 123 76.666 68.645 19.134 1.00 0.00 WT1 H ATOM 3502 OH2 TIP3 124 22.797 36.776 42.477 1.00 0.00 WT1 O ATOM 3503 H1 TIP3 124 22.508 36.005 41.988 1.00 0.00 WT1 H ATOM 3504 H2 TIP3 124 22.916 36.461 43.373 1.00 0.00 WT1 H ATOM 3505 OH2 TIP3 125 75.989 16.114 2.711 1.00 0.00 WT1 O ATOM 3506 H1 TIP3 125 76.706 16.559 2.259 1.00 0.00 WT1 H ATOM 3507 H2 TIP3 125 75.293 16.054 2.057 1.00 0.00 WT1 H ATOM 3508 OH2 TIP3 126 57.559 2.208 15.449 1.00 0.00 WT1 O ATOM 3509 H1 TIP3 126 57.816 2.820 16.139 1.00 0.00 WT1 H ATOM 3510 H2 TIP3 126 58.350 1.700 15.271 1.00 0.00 WT1 H ATOM 3511 OH2 TIP3 127 75.523 13.953 59.593 1.00 0.00 WT1 O ATOM 3512 H1 TIP3 127 76.292 13.386 59.652 1.00 0.00 WT1 H ATOM 3513 H2 TIP3 127 74.880 13.546 60.175 1.00 0.00 WT1 H ATOM 3514 OH2 TIP3 128 77.584 2.826 39.519 1.00 0.00 WT1 O ATOM 3515 H1 TIP3 128 77.644 3.637 39.014 1.00 0.00 WT1 H ATOM 3516 H2 TIP3 128 77.917 2.151 38.929 1.00 0.00 WT1 H ATOM 3517 OH2 TIP3 129 25.338 37.503 -4.232 1.00 0.00 WT1 O ATOM 3518 H1 TIP3 129 24.524 37.060 -3.990 1.00 0.00 WT1 H ATOM 3519 H2 TIP3 129 25.917 36.799 -4.524 1.00 0.00 WT1 H ATOM 3520 OH2 TIP3 130 25.095 35.128 23.841 1.00 0.00 WT1 O ATOM 3521 H1 TIP3 130 24.795 35.517 23.019 1.00 0.00 WT1 H ATOM 3522 H2 TIP3 130 24.356 35.233 24.440 1.00 0.00 WT1 H ATOM 3523 OH2 TIP3 131 46.103 55.180 3.311 1.00 0.00 WT1 O ATOM 3524 H1 TIP3 131 46.410 56.082 3.225 1.00 0.00 WT1 H ATOM 3525 H2 TIP3 131 46.901 54.665 3.430 1.00 0.00 WT1 H ATOM 3526 OH2 TIP3 132 89.448 56.336 3.219 1.00 0.00 WT1 O ATOM 3527 H1 TIP3 132 88.605 56.386 2.768 1.00 0.00 WT1 H ATOM 3528 H2 TIP3 132 89.340 56.893 3.991 1.00 0.00 WT1 H ATOM 3529 OH2 TIP3 133 60.669 27.284 62.837 1.00 0.00 WT1 O ATOM 3530 H1 TIP3 133 60.419 28.099 62.401 1.00 0.00 WT1 H ATOM 3531 H2 TIP3 133 61.104 27.567 63.641 1.00 0.00 WT1 H ATOM 3532 OH2 TIP3 134 28.349 1.116 38.489 1.00 0.00 WT1 O ATOM 3533 H1 TIP3 134 29.264 1.339 38.316 1.00 0.00 WT1 H ATOM 3534 H2 TIP3 134 28.354 0.167 38.618 1.00 0.00 WT1 H ATOM 3535 OH2 TIP3 135 73.337 43.307 32.471 1.00 0.00 WT1 O ATOM 3536 H1 TIP3 135 73.833 43.182 31.662 1.00 0.00 WT1 H ATOM 3537 H2 TIP3 135 72.430 43.409 32.183 1.00 0.00 WT1 H ATOM 3538 OH2 TIP3 136 48.209 21.427 -17.593 1.00 0.00 WT1 O ATOM 3539 H1 TIP3 136 49.159 21.315 -17.618 1.00 0.00 WT1 H ATOM 3540 H2 TIP3 136 47.888 20.656 -17.126 1.00 0.00 WT1 H ATOM 3541 OH2 TIP3 137 42.052 20.083 4.178 1.00 0.00 WT1 O ATOM 3542 H1 TIP3 137 41.421 20.793 4.291 1.00 0.00 WT1 H ATOM 3543 H2 TIP3 137 42.567 20.088 4.984 1.00 0.00 WT1 H ATOM 3544 OH2 TIP3 138 25.949 34.606 42.055 1.00 0.00 WT1 O ATOM 3545 H1 TIP3 138 25.966 35.396 42.596 1.00 0.00 WT1 H ATOM 3546 H2 TIP3 138 26.521 33.990 42.513 1.00 0.00 WT1 H ATOM 3547 OH2 TIP3 139 82.239 30.291 37.924 1.00 0.00 WT1 O ATOM 3548 H1 TIP3 139 83.149 30.340 38.218 1.00 0.00 WT1 H ATOM 3549 H2 TIP3 139 81.769 29.906 38.663 1.00 0.00 WT1 H ATOM 3550 OH2 TIP3 140 64.912 23.093 41.725 1.00 0.00 WT1 O ATOM 3551 H1 TIP3 140 65.040 22.149 41.813 1.00 0.00 WT1 H ATOM 3552 H2 TIP3 140 65.733 23.413 41.352 1.00 0.00 WT1 H ATOM 3553 OH2 TIP3 141 74.768 80.609 58.130 1.00 0.00 WT1 O ATOM 3554 H1 TIP3 141 74.431 81.130 57.401 1.00 0.00 WT1 H ATOM 3555 H2 TIP3 141 74.501 79.712 57.928 1.00 0.00 WT1 H ATOM 3556 OH2 TIP3 142 72.492 54.589 32.134 1.00 0.00 WT1 O ATOM 3557 H1 TIP3 142 72.104 55.000 32.906 1.00 0.00 WT1 H ATOM 3558 H2 TIP3 142 71.742 54.292 31.618 1.00 0.00 WT1 H ATOM 3559 OH2 TIP3 143 65.335 87.856 0.506 1.00 0.00 WT1 O ATOM 3560 H1 TIP3 143 65.508 88.143 1.402 1.00 0.00 WT1 H ATOM 3561 H2 TIP3 143 65.892 88.415 -0.036 1.00 0.00 WT1 H ATOM 3562 OH2 TIP3 144 41.796 61.304 -10.430 1.00 0.00 WT1 O ATOM 3563 H1 TIP3 144 42.226 61.634 -9.641 1.00 0.00 WT1 H ATOM 3564 H2 TIP3 144 41.299 62.052 -10.762 1.00 0.00 WT1 H ATOM 3565 OH2 TIP3 145 90.632 85.614 7.798 1.00 0.00 WT1 O ATOM 3566 H1 TIP3 145 91.098 85.054 8.420 1.00 0.00 WT1 H ATOM 3567 H2 TIP3 145 90.024 85.025 7.353 1.00 0.00 WT1 H ATOM 3568 OH2 TIP3 146 89.271 60.977 22.329 1.00 0.00 WT1 O ATOM 3569 H1 TIP3 146 90.122 61.196 21.950 1.00 0.00 WT1 H ATOM 3570 H2 TIP3 146 89.258 60.020 22.354 1.00 0.00 WT1 H ATOM 3571 OH2 TIP3 147 77.028 9.523 -3.294 1.00 0.00 WT1 O ATOM 3572 H1 TIP3 147 76.939 10.443 -3.047 1.00 0.00 WT1 H ATOM 3573 H2 TIP3 147 76.668 9.475 -4.179 1.00 0.00 WT1 H ATOM 3574 OH2 TIP3 148 72.205 28.519 48.077 1.00 0.00 WT1 O ATOM 3575 H1 TIP3 148 71.631 29.249 48.313 1.00 0.00 WT1 H ATOM 3576 H2 TIP3 148 71.902 28.247 47.211 1.00 0.00 WT1 H ATOM 3577 OH2 TIP3 149 45.440 30.425 49.427 1.00 0.00 WT1 O ATOM 3578 H1 TIP3 149 44.708 30.571 50.025 1.00 0.00 WT1 H ATOM 3579 H2 TIP3 149 45.842 31.287 49.324 1.00 0.00 WT1 H ATOM 3580 OH2 TIP3 150 34.345 23.623 -12.592 1.00 0.00 WT1 O ATOM 3581 H1 TIP3 150 33.654 23.114 -13.015 1.00 0.00 WT1 H ATOM 3582 H2 TIP3 150 34.677 24.197 -13.282 1.00 0.00 WT1 H ATOM 3583 OH2 TIP3 151 40.630 32.608 62.605 1.00 0.00 WT1 O ATOM 3584 H1 TIP3 151 41.508 32.820 62.288 1.00 0.00 WT1 H ATOM 3585 H2 TIP3 151 40.086 32.598 61.818 1.00 0.00 WT1 H ATOM 3586 OH2 TIP3 152 34.314 26.313 -5.660 1.00 0.00 WT1 O ATOM 3587 H1 TIP3 152 35.095 25.762 -5.715 1.00 0.00 WT1 H ATOM 3588 H2 TIP3 152 33.793 25.920 -4.959 1.00 0.00 WT1 H ATOM 3589 OH2 TIP3 153 56.890 10.141 27.787 1.00 0.00 WT1 O ATOM 3590 H1 TIP3 153 57.543 10.836 27.868 1.00 0.00 WT1 H ATOM 3591 H2 TIP3 153 56.232 10.351 28.450 1.00 0.00 WT1 H ATOM 3592 OH2 TIP3 154 86.532 50.632 66.119 1.00 0.00 WT1 O ATOM 3593 H1 TIP3 154 87.184 50.106 65.656 1.00 0.00 WT1 H ATOM 3594 H2 TIP3 154 86.212 51.251 65.462 1.00 0.00 WT1 H ATOM 3595 OH2 TIP3 155 54.173 52.571 -2.085 1.00 0.00 WT1 O ATOM 3596 H1 TIP3 155 53.301 52.820 -1.781 1.00 0.00 WT1 H ATOM 3597 H2 TIP3 155 54.404 53.240 -2.730 1.00 0.00 WT1 H ATOM 3598 OH2 TIP3 156 49.039 58.259 6.408 1.00 0.00 WT1 O ATOM 3599 H1 TIP3 156 49.377 57.803 7.179 1.00 0.00 WT1 H ATOM 3600 H2 TIP3 156 49.325 59.165 6.521 1.00 0.00 WT1 H ATOM 3601 OH2 TIP3 157 58.867 51.490 -18.397 1.00 0.00 WT1 O ATOM 3602 H1 TIP3 157 59.529 51.915 -18.943 1.00 0.00 WT1 H ATOM 3603 H2 TIP3 157 58.110 51.387 -18.974 1.00 0.00 WT1 H ATOM 3604 OH2 TIP3 158 82.870 5.728 -2.335 1.00 0.00 WT1 O ATOM 3605 H1 TIP3 158 82.669 6.535 -2.808 1.00 0.00 WT1 H ATOM 3606 H2 TIP3 158 82.838 5.978 -1.411 1.00 0.00 WT1 H ATOM 3607 OH2 TIP3 159 60.823 28.440 36.797 1.00 0.00 WT1 O ATOM 3608 H1 TIP3 159 61.775 28.415 36.895 1.00 0.00 WT1 H ATOM 3609 H2 TIP3 159 60.676 28.333 35.857 1.00 0.00 WT1 H ATOM 3610 OH2 TIP3 160 31.270 37.865 -14.075 1.00 0.00 WT1 O ATOM 3611 H1 TIP3 160 31.498 38.318 -14.887 1.00 0.00 WT1 H ATOM 3612 H2 TIP3 160 32.019 38.014 -13.498 1.00 0.00 WT1 H ATOM 3613 OH2 TIP3 161 75.362 10.173 53.896 1.00 0.00 WT1 O ATOM 3614 H1 TIP3 161 76.243 9.953 54.199 1.00 0.00 WT1 H ATOM 3615 H2 TIP3 161 74.959 9.329 53.696 1.00 0.00 WT1 H ATOM 3616 OH2 TIP3 162 49.545 29.966 36.259 1.00 0.00 WT1 O ATOM 3617 H1 TIP3 162 48.993 29.554 36.924 1.00 0.00 WT1 H ATOM 3618 H2 TIP3 162 48.956 30.556 35.789 1.00 0.00 WT1 H ATOM 3619 OH2 TIP3 163 40.566 55.392 16.133 1.00 0.00 WT1 O ATOM 3620 H1 TIP3 163 40.318 55.108 17.013 1.00 0.00 WT1 H ATOM 3621 H2 TIP3 163 41.022 56.223 16.268 1.00 0.00 WT1 H ATOM 3622 OH2 TIP3 164 53.230 33.066 52.990 1.00 0.00 WT1 O ATOM 3623 H1 TIP3 164 54.161 32.866 52.897 1.00 0.00 WT1 H ATOM 3624 H2 TIP3 164 53.058 33.728 52.321 1.00 0.00 WT1 H ATOM 3625 OH2 TIP3 165 33.739 15.805 66.046 1.00 0.00 WT1 O ATOM 3626 H1 TIP3 165 33.581 16.377 65.295 1.00 0.00 WT1 H ATOM 3627 H2 TIP3 165 34.271 15.091 65.696 1.00 0.00 WT1 H ATOM 3628 OH2 TIP3 166 49.108 43.608 8.907 1.00 0.00 WT1 O ATOM 3629 H1 TIP3 166 49.113 44.484 9.294 1.00 0.00 WT1 H ATOM 3630 H2 TIP3 166 49.149 43.015 9.657 1.00 0.00 WT1 H ATOM 3631 OH2 TIP3 167 85.819 48.385 -19.581 1.00 0.00 WT1 O ATOM 3632 H1 TIP3 167 85.737 49.154 -20.146 1.00 0.00 WT1 H ATOM 3633 H2 TIP3 167 84.920 48.087 -19.449 1.00 0.00 WT1 H ATOM 3634 OH2 TIP3 168 56.949 60.515 60.712 1.00 0.00 WT1 O ATOM 3635 H1 TIP3 168 56.761 59.683 60.279 1.00 0.00 WT1 H ATOM 3636 H2 TIP3 168 56.278 60.591 61.390 1.00 0.00 WT1 H ATOM 3637 OH2 TIP3 169 66.803 11.460 32.661 1.00 0.00 WT1 O ATOM 3638 H1 TIP3 169 66.561 10.536 32.728 1.00 0.00 WT1 H ATOM 3639 H2 TIP3 169 67.474 11.484 31.979 1.00 0.00 WT1 H ATOM 3640 OH2 TIP3 170 38.953 73.164 22.982 1.00 0.00 WT1 O ATOM 3641 H1 TIP3 170 39.861 73.247 22.688 1.00 0.00 WT1 H ATOM 3642 H2 TIP3 170 39.011 72.680 23.806 1.00 0.00 WT1 H ATOM 3643 OH2 TIP3 171 69.167 65.105 21.634 1.00 0.00 WT1 O ATOM 3644 H1 TIP3 171 69.278 64.175 21.833 1.00 0.00 WT1 H ATOM 3645 H2 TIP3 171 68.357 65.351 22.081 1.00 0.00 WT1 H ATOM 3646 OH2 TIP3 172 23.145 40.200 47.186 1.00 0.00 WT1 O ATOM 3647 H1 TIP3 172 23.462 41.005 47.595 1.00 0.00 WT1 H ATOM 3648 H2 TIP3 172 22.460 40.490 46.584 1.00 0.00 WT1 H ATOM 3649 OH2 TIP3 173 61.303 31.958 14.699 1.00 0.00 WT1 O ATOM 3650 H1 TIP3 173 61.244 31.189 15.266 1.00 0.00 WT1 H ATOM 3651 H2 TIP3 173 60.962 32.676 15.233 1.00 0.00 WT1 H ATOM 3652 OH2 TIP3 174 73.455 47.735 64.952 1.00 0.00 WT1 O ATOM 3653 H1 TIP3 174 73.129 48.435 65.517 1.00 0.00 WT1 H ATOM 3654 H2 TIP3 174 74.158 48.142 64.446 1.00 0.00 WT1 H ATOM 3655 OH2 TIP3 176 20.565 50.558 10.444 1.00 0.00 WT1 O ATOM 3656 H1 TIP3 176 21.470 50.420 10.723 1.00 0.00 WT1 H ATOM 3657 H2 TIP3 176 20.636 50.843 9.533 1.00 0.00 WT1 H ATOM 3658 OH2 TIP3 177 86.681 86.406 38.441 1.00 0.00 WT1 O ATOM 3659 H1 TIP3 177 86.007 85.786 38.160 1.00 0.00 WT1 H ATOM 3660 H2 TIP3 177 86.881 86.151 39.342 1.00 0.00 WT1 H ATOM 3661 OH2 TIP3 178 89.924 38.978 -0.178 1.00 0.00 WT1 O ATOM 3662 H1 TIP3 178 90.104 39.208 -1.090 1.00 0.00 WT1 H ATOM 3663 H2 TIP3 178 89.267 39.614 0.104 1.00 0.00 WT1 H ATOM 3664 OH2 TIP3 179 36.731 37.004 24.910 1.00 0.00 WT1 O ATOM 3665 H1 TIP3 179 37.286 36.247 24.724 1.00 0.00 WT1 H ATOM 3666 H2 TIP3 179 37.273 37.760 24.682 1.00 0.00 WT1 H ATOM 3667 OH2 TIP3 180 41.169 24.578 -0.859 1.00 0.00 WT1 O ATOM 3668 H1 TIP3 180 40.224 24.595 -0.708 1.00 0.00 WT1 H ATOM 3669 H2 TIP3 180 41.335 23.716 -1.242 1.00 0.00 WT1 H ATOM 3670 OH2 TIP3 181 30.069 19.667 50.846 1.00 0.00 WT1 O ATOM 3671 H1 TIP3 181 29.693 18.791 50.757 1.00 0.00 WT1 H ATOM 3672 H2 TIP3 181 31.009 19.516 50.948 1.00 0.00 WT1 H ATOM 3673 OH2 TIP3 182 41.232 43.407 -12.433 1.00 0.00 WT1 O ATOM 3674 H1 TIP3 182 41.161 44.197 -12.969 1.00 0.00 WT1 H ATOM 3675 H2 TIP3 182 40.924 43.676 -11.568 1.00 0.00 WT1 H ATOM 3676 OH2 TIP3 183 41.837 86.940 23.900 1.00 0.00 WT1 O ATOM 3677 H1 TIP3 183 42.503 86.318 23.606 1.00 0.00 WT1 H ATOM 3678 H2 TIP3 183 41.008 86.472 23.796 1.00 0.00 WT1 H ATOM 3679 OH2 TIP3 184 37.107 53.694 -0.821 1.00 0.00 WT1 O ATOM 3680 H1 TIP3 184 37.809 54.294 -1.072 1.00 0.00 WT1 H ATOM 3681 H2 TIP3 184 37.411 52.833 -1.108 1.00 0.00 WT1 H ATOM 3682 OH2 TIP3 185 43.008 8.123 -9.041 1.00 0.00 WT1 O ATOM 3683 H1 TIP3 185 42.598 8.028 -9.901 1.00 0.00 WT1 H ATOM 3684 H2 TIP3 185 43.678 7.439 -9.019 1.00 0.00 WT1 H ATOM 3685 OH2 TIP3 186 72.719 21.118 52.930 1.00 0.00 WT1 O ATOM 3686 H1 TIP3 186 71.858 20.700 52.899 1.00 0.00 WT1 H ATOM 3687 H2 TIP3 186 73.013 20.995 53.832 1.00 0.00 WT1 H ATOM 3688 OH2 TIP3 187 53.057 30.716 44.861 1.00 0.00 WT1 O ATOM 3689 H1 TIP3 187 52.534 29.920 44.761 1.00 0.00 WT1 H ATOM 3690 H2 TIP3 187 52.576 31.382 44.370 1.00 0.00 WT1 H ATOM 3691 OH2 TIP3 188 34.068 96.086 63.915 1.00 0.00 WT1 O ATOM 3692 H1 TIP3 188 34.316 96.823 64.473 1.00 0.00 WT1 H ATOM 3693 H2 TIP3 188 34.877 95.587 63.803 1.00 0.00 WT1 H ATOM 3694 OH2 TIP3 190 26.219 2.820 -0.252 1.00 0.00 WT1 O ATOM 3695 H1 TIP3 190 26.976 2.530 -0.761 1.00 0.00 WT1 H ATOM 3696 H2 TIP3 190 26.568 2.988 0.623 1.00 0.00 WT1 H ATOM 3697 OH2 TIP3 191 65.077 18.300 -1.063 1.00 0.00 WT1 O ATOM 3698 H1 TIP3 191 64.266 18.676 -1.406 1.00 0.00 WT1 H ATOM 3699 H2 TIP3 191 65.357 18.912 -0.383 1.00 0.00 WT1 H ATOM 3700 OH2 TIP3 192 27.062 59.607 16.241 1.00 0.00 WT1 O ATOM 3701 H1 TIP3 192 27.941 59.503 15.878 1.00 0.00 WT1 H ATOM 3702 H2 TIP3 192 27.202 60.005 17.100 1.00 0.00 WT1 H ATOM 3703 OH2 TIP3 193 27.943 9.248 45.469 1.00 0.00 WT1 O ATOM 3704 H1 TIP3 193 27.100 9.511 45.099 1.00 0.00 WT1 H ATOM 3705 H2 TIP3 193 28.247 10.022 45.944 1.00 0.00 WT1 H ATOM 3706 OH2 TIP3 195 85.617 39.647 11.900 1.00 0.00 WT1 O ATOM 3707 H1 TIP3 195 85.922 40.397 11.389 1.00 0.00 WT1 H ATOM 3708 H2 TIP3 195 84.900 39.280 11.383 1.00 0.00 WT1 H ATOM 3709 OH2 TIP3 196 74.583 61.944 64.141 1.00 0.00 WT1 O ATOM 3710 H1 TIP3 196 74.857 61.104 64.511 1.00 0.00 WT1 H ATOM 3711 H2 TIP3 196 73.713 62.096 64.509 1.00 0.00 WT1 H ATOM 3712 OH2 TIP3 198 68.130 93.110 9.740 1.00 0.00 WT1 O ATOM 3713 H1 TIP3 198 67.822 92.770 10.580 1.00 0.00 WT1 H ATOM 3714 H2 TIP3 198 68.130 92.349 9.159 1.00 0.00 WT1 H ATOM 3715 OH2 TIP3 199 65.203 38.422 -1.739 1.00 0.00 WT1 O ATOM 3716 H1 TIP3 199 65.034 39.317 -2.033 1.00 0.00 WT1 H ATOM 3717 H2 TIP3 199 64.354 38.106 -1.431 1.00 0.00 WT1 H ATOM 3718 OH2 TIP3 200 53.169 14.196 16.480 1.00 0.00 WT1 O ATOM 3719 H1 TIP3 200 53.850 13.983 17.119 1.00 0.00 WT1 H ATOM 3720 H2 TIP3 200 52.362 14.233 16.994 1.00 0.00 WT1 H ATOM 3721 OH2 TIP3 201 79.289 48.584 -13.971 1.00 0.00 WT1 O ATOM 3722 H1 TIP3 201 78.458 48.355 -13.554 1.00 0.00 WT1 H ATOM 3723 H2 TIP3 201 79.942 48.058 -13.509 1.00 0.00 WT1 H ATOM 3724 OH2 TIP3 202 21.062 42.045 65.453 1.00 0.00 WT1 O ATOM 3725 H1 TIP3 202 20.843 41.137 65.661 1.00 0.00 WT1 H ATOM 3726 H2 TIP3 202 20.674 42.555 66.164 1.00 0.00 WT1 H ATOM 3727 OH2 TIP3 203 56.112 44.950 -18.433 1.00 0.00 WT1 O ATOM 3728 H1 TIP3 203 57.063 44.982 -18.536 1.00 0.00 WT1 H ATOM 3729 H2 TIP3 203 55.859 45.858 -18.263 1.00 0.00 WT1 H ATOM 3730 OH2 TIP3 204 56.474 85.438 -10.878 1.00 0.00 WT1 O ATOM 3731 H1 TIP3 204 57.196 85.562 -10.262 1.00 0.00 WT1 H ATOM 3732 H2 TIP3 204 56.161 84.550 -10.705 1.00 0.00 WT1 H ATOM 3733 OH2 TIP3 205 69.708 49.447 36.226 1.00 0.00 WT1 O ATOM 3734 H1 TIP3 205 69.585 49.800 35.344 1.00 0.00 WT1 H ATOM 3735 H2 TIP3 205 68.837 49.483 36.621 1.00 0.00 WT1 H ATOM 3736 OH2 TIP3 206 35.424 54.862 1.175 1.00 0.00 WT1 O ATOM 3737 H1 TIP3 206 35.609 55.801 1.164 1.00 0.00 WT1 H ATOM 3738 H2 TIP3 206 36.185 54.462 0.754 1.00 0.00 WT1 H ATOM 3739 OH2 TIP3 207 55.550 21.773 23.044 1.00 0.00 WT1 O ATOM 3740 H1 TIP3 207 54.915 21.288 22.517 1.00 0.00 WT1 H ATOM 3741 H2 TIP3 207 55.038 22.133 23.767 1.00 0.00 WT1 H ATOM 3742 OH2 TIP3 208 41.051 43.021 12.753 1.00 0.00 WT1 O ATOM 3743 H1 TIP3 208 41.396 42.434 13.425 1.00 0.00 WT1 H ATOM 3744 H2 TIP3 208 41.493 43.855 12.914 1.00 0.00 WT1 H ATOM 3745 OH2 TIP3 209 84.499 15.084 47.454 1.00 0.00 WT1 O ATOM 3746 H1 TIP3 209 84.206 14.503 46.753 1.00 0.00 WT1 H ATOM 3747 H2 TIP3 209 84.098 14.726 48.246 1.00 0.00 WT1 H ATOM 3748 OH2 TIP3 210 20.571 50.141 34.926 1.00 0.00 WT1 O ATOM 3749 H1 TIP3 210 20.414 50.849 34.301 1.00 0.00 WT1 H ATOM 3750 H2 TIP3 210 19.916 50.275 35.611 1.00 0.00 WT1 H ATOM 3751 OH2 TIP3 211 72.555 5.003 64.794 1.00 0.00 WT1 O ATOM 3752 H1 TIP3 211 72.812 5.815 65.231 1.00 0.00 WT1 H ATOM 3753 H2 TIP3 211 72.077 4.512 65.463 1.00 0.00 WT1 H ATOM 3754 OH2 TIP3 212 62.948 21.717 38.328 1.00 0.00 WT1 O ATOM 3755 H1 TIP3 212 63.816 22.085 38.492 1.00 0.00 WT1 H ATOM 3756 H2 TIP3 212 62.345 22.441 38.496 1.00 0.00 WT1 H ATOM 3757 OH2 TIP3 213 69.257 49.976 42.127 1.00 0.00 WT1 O ATOM 3758 H1 TIP3 213 69.645 50.405 41.365 1.00 0.00 WT1 H ATOM 3759 H2 TIP3 213 68.329 50.207 42.086 1.00 0.00 WT1 H ATOM 3760 OH2 TIP3 214 51.702 85.782 21.671 1.00 0.00 WT1 O ATOM 3761 H1 TIP3 214 51.011 85.423 21.115 1.00 0.00 WT1 H ATOM 3762 H2 TIP3 214 51.618 85.305 22.497 1.00 0.00 WT1 H ATOM 3763 OH2 TIP3 215 84.311 43.036 16.617 1.00 0.00 WT1 O ATOM 3764 H1 TIP3 215 84.128 42.211 17.068 1.00 0.00 WT1 H ATOM 3765 H2 TIP3 215 83.459 43.468 16.553 1.00 0.00 WT1 H ATOM 3766 OH2 TIP3 216 51.700 70.622 40.956 1.00 0.00 WT1 O ATOM 3767 H1 TIP3 216 52.365 70.197 41.497 1.00 0.00 WT1 H ATOM 3768 H2 TIP3 216 50.867 70.302 41.303 1.00 0.00 WT1 H ATOM 3769 OH2 TIP3 217 83.763 12.292 53.604 1.00 0.00 WT1 O ATOM 3770 H1 TIP3 217 83.661 13.035 54.198 1.00 0.00 WT1 H ATOM 3771 H2 TIP3 217 83.359 11.557 54.066 1.00 0.00 WT1 H ATOM 3772 OH2 TIP3 219 48.278 31.779 14.676 1.00 0.00 WT1 O ATOM 3773 H1 TIP3 219 48.616 31.478 15.520 1.00 0.00 WT1 H ATOM 3774 H2 TIP3 219 47.509 32.304 14.900 1.00 0.00 WT1 H ATOM 3775 OH2 TIP3 220 82.605 30.711 -0.455 1.00 0.00 WT1 O ATOM 3776 H1 TIP3 220 83.527 30.794 -0.700 1.00 0.00 WT1 H ATOM 3777 H2 TIP3 220 82.565 31.040 0.443 1.00 0.00 WT1 H ATOM 3778 OH2 TIP3 221 64.700 27.756 49.015 1.00 0.00 WT1 O ATOM 3779 H1 TIP3 221 64.092 27.527 48.312 1.00 0.00 WT1 H ATOM 3780 H2 TIP3 221 64.677 28.712 49.050 1.00 0.00 WT1 H ATOM 3781 OH2 TIP3 222 39.832 33.292 -10.181 1.00 0.00 WT1 O ATOM 3782 H1 TIP3 222 39.755 33.815 -9.383 1.00 0.00 WT1 H ATOM 3783 H2 TIP3 222 39.006 33.435 -10.642 1.00 0.00 WT1 H ATOM 3784 OH2 TIP3 223 21.281 85.301 54.357 1.00 0.00 WT1 O ATOM 3785 H1 TIP3 223 22.214 85.516 54.339 1.00 0.00 WT1 H ATOM 3786 H2 TIP3 223 20.840 86.150 54.388 1.00 0.00 WT1 H ATOM 3787 OH2 TIP3 224 21.510 30.188 9.184 1.00 0.00 WT1 O ATOM 3788 H1 TIP3 224 21.827 29.842 10.018 1.00 0.00 WT1 H ATOM 3789 H2 TIP3 224 21.905 31.058 9.120 1.00 0.00 WT1 H ATOM 3790 OH2 TIP3 225 71.572 86.107 47.308 1.00 0.00 WT1 O ATOM 3791 H1 TIP3 225 72.484 86.374 47.192 1.00 0.00 WT1 H ATOM 3792 H2 TIP3 225 71.568 85.172 47.103 1.00 0.00 WT1 H ATOM 3793 OH2 TIP3 226 44.651 27.070 49.538 1.00 0.00 WT1 O ATOM 3794 H1 TIP3 226 45.089 27.857 49.216 1.00 0.00 WT1 H ATOM 3795 H2 TIP3 226 44.431 27.272 50.448 1.00 0.00 WT1 H ATOM 3796 OH2 TIP3 227 27.338 48.960 -10.496 1.00 0.00 WT1 O ATOM 3797 H1 TIP3 227 27.809 49.400 -9.788 1.00 0.00 WT1 H ATOM 3798 H2 TIP3 227 27.847 49.159 -11.282 1.00 0.00 WT1 H ATOM 3799 OH2 TIP3 228 19.992 21.260 -9.195 1.00 0.00 WT1 O ATOM 3800 H1 TIP3 228 20.500 21.710 -8.520 1.00 0.00 WT1 H ATOM 3801 H2 TIP3 228 20.399 21.527 -10.020 1.00 0.00 WT1 H ATOM 3802 OH2 TIP3 229 51.653 0.493 60.146 1.00 0.00 WT1 O ATOM 3803 H1 TIP3 229 51.800 -0.327 60.619 1.00 0.00 WT1 H ATOM 3804 H2 TIP3 229 52.531 0.817 59.949 1.00 0.00 WT1 H ATOM 3805 OH2 TIP3 230 34.114 54.322 -15.957 1.00 0.00 WT1 O ATOM 3806 H1 TIP3 230 34.959 54.607 -15.609 1.00 0.00 WT1 H ATOM 3807 H2 TIP3 230 33.502 55.010 -15.695 1.00 0.00 WT1 H ATOM 3808 OH2 TIP3 231 82.486 40.267 66.181 1.00 0.00 WT1 O ATOM 3809 H1 TIP3 231 81.633 40.568 65.866 1.00 0.00 WT1 H ATOM 3810 H2 TIP3 231 83.096 40.955 65.915 1.00 0.00 WT1 H ATOM 3811 OH2 TIP3 232 57.740 91.789 40.119 1.00 0.00 WT1 O ATOM 3812 H1 TIP3 232 58.653 91.609 40.346 1.00 0.00 WT1 H ATOM 3813 H2 TIP3 232 57.742 91.872 39.165 1.00 0.00 WT1 H ATOM 3814 OH2 TIP3 233 78.847 42.167 -13.425 1.00 0.00 WT1 O ATOM 3815 H1 TIP3 233 78.605 41.265 -13.214 1.00 0.00 WT1 H ATOM 3816 H2 TIP3 233 79.021 42.574 -12.576 1.00 0.00 WT1 H ATOM 3817 OH2 TIP3 234 28.241 81.389 27.629 1.00 0.00 WT1 O ATOM 3818 H1 TIP3 234 27.830 81.727 28.425 1.00 0.00 WT1 H ATOM 3819 H2 TIP3 234 27.776 80.573 27.446 1.00 0.00 WT1 H ATOM 3820 OH2 TIP3 235 35.913 60.666 -2.835 1.00 0.00 WT1 O ATOM 3821 H1 TIP3 235 35.316 61.042 -3.482 1.00 0.00 WT1 H ATOM 3822 H2 TIP3 235 35.813 61.225 -2.064 1.00 0.00 WT1 H ATOM 3823 OH2 TIP3 236 82.466 48.572 -2.394 1.00 0.00 WT1 O ATOM 3824 H1 TIP3 236 81.657 48.747 -2.875 1.00 0.00 WT1 H ATOM 3825 H2 TIP3 236 82.456 49.199 -1.671 1.00 0.00 WT1 H ATOM 3826 OH2 TIP3 237 40.382 41.813 -5.076 1.00 0.00 WT1 O ATOM 3827 H1 TIP3 237 39.825 41.926 -4.306 1.00 0.00 WT1 H ATOM 3828 H2 TIP3 237 40.179 42.566 -5.631 1.00 0.00 WT1 H ATOM 3829 OH2 TIP3 238 67.309 52.200 28.438 1.00 0.00 WT1 O ATOM 3830 H1 TIP3 238 67.193 52.155 29.387 1.00 0.00 WT1 H ATOM 3831 H2 TIP3 238 66.441 52.418 28.100 1.00 0.00 WT1 H ATOM 3832 OH2 TIP3 239 36.551 13.367 36.623 1.00 0.00 WT1 O ATOM 3833 H1 TIP3 239 37.476 13.551 36.463 1.00 0.00 WT1 H ATOM 3834 H2 TIP3 239 36.112 14.206 36.483 1.00 0.00 WT1 H ATOM 3835 OH2 TIP3 240 76.059 62.586 16.939 1.00 0.00 WT1 O ATOM 3836 H1 TIP3 240 76.350 63.163 16.233 1.00 0.00 WT1 H ATOM 3837 H2 TIP3 240 76.867 62.215 17.293 1.00 0.00 WT1 H ATOM 3838 OH2 TIP3 241 78.818 19.697 -16.711 1.00 0.00 WT1 O ATOM 3839 H1 TIP3 241 79.588 19.155 -16.883 1.00 0.00 WT1 H ATOM 3840 H2 TIP3 241 78.279 19.604 -17.496 1.00 0.00 WT1 H ATOM 3841 OH2 TIP3 242 87.656 38.939 22.432 1.00 0.00 WT1 O ATOM 3842 H1 TIP3 242 87.605 39.827 22.786 1.00 0.00 WT1 H ATOM 3843 H2 TIP3 242 87.379 39.028 21.520 1.00 0.00 WT1 H ATOM 3844 OH2 TIP3 243 74.312 48.264 17.658 1.00 0.00 WT1 O ATOM 3845 H1 TIP3 243 73.576 48.351 18.264 1.00 0.00 WT1 H ATOM 3846 H2 TIP3 243 74.738 47.446 17.914 1.00 0.00 WT1 H ATOM 3847 OH2 TIP3 244 79.239 36.117 0.569 1.00 0.00 WT1 O ATOM 3848 H1 TIP3 244 79.864 35.415 0.389 1.00 0.00 WT1 H ATOM 3849 H2 TIP3 244 79.491 36.446 1.433 1.00 0.00 WT1 H ATOM 3850 OH2 TIP3 245 33.212 18.200 -15.726 1.00 0.00 WT1 O ATOM 3851 H1 TIP3 245 32.626 17.461 -15.561 1.00 0.00 WT1 H ATOM 3852 H2 TIP3 245 33.629 18.369 -14.881 1.00 0.00 WT1 H ATOM 3853 OH2 TIP3 246 46.968 42.815 22.852 1.00 0.00 WT1 O ATOM 3854 H1 TIP3 246 47.513 42.475 22.142 1.00 0.00 WT1 H ATOM 3855 H2 TIP3 246 47.237 43.729 22.944 1.00 0.00 WT1 H ATOM 3856 OH2 TIP3 247 37.221 39.277 63.844 1.00 0.00 WT1 O ATOM 3857 H1 TIP3 247 36.674 39.390 64.621 1.00 0.00 WT1 H ATOM 3858 H2 TIP3 247 37.249 40.145 63.441 1.00 0.00 WT1 H ATOM 3859 OH2 TIP3 248 32.195 90.484 38.806 1.00 0.00 WT1 O ATOM 3860 H1 TIP3 248 32.432 90.823 39.669 1.00 0.00 WT1 H ATOM 3861 H2 TIP3 248 32.135 89.536 38.929 1.00 0.00 WT1 H ATOM 3862 OH2 TIP3 249 31.186 77.216 29.105 1.00 0.00 WT1 O ATOM 3863 H1 TIP3 249 31.458 76.742 29.890 1.00 0.00 WT1 H ATOM 3864 H2 TIP3 249 31.965 77.705 28.837 1.00 0.00 WT1 H ATOM 3865 OH2 TIP3 250 24.212 27.556 65.280 1.00 0.00 WT1 O ATOM 3866 H1 TIP3 250 23.280 27.649 65.086 1.00 0.00 WT1 H ATOM 3867 H2 TIP3 250 24.655 27.868 64.491 1.00 0.00 WT1 H ATOM 3868 OH2 TIP3 251 53.946 10.178 64.187 1.00 0.00 WT1 O ATOM 3869 H1 TIP3 251 54.695 9.916 64.722 1.00 0.00 WT1 H ATOM 3870 H2 TIP3 251 54.151 11.070 63.908 1.00 0.00 WT1 H ATOM 3871 OH2 TIP3 252 64.971 94.398 -5.207 1.00 0.00 WT1 O ATOM 3872 H1 TIP3 252 64.836 94.932 -5.990 1.00 0.00 WT1 H ATOM 3873 H2 TIP3 252 64.868 95.010 -4.478 1.00 0.00 WT1 H ATOM 3874 OH2 TIP3 253 78.978 66.824 6.363 1.00 0.00 WT1 O ATOM 3875 H1 TIP3 253 79.877 66.553 6.179 1.00 0.00 WT1 H ATOM 3876 H2 TIP3 253 78.476 66.009 6.358 1.00 0.00 WT1 H ATOM 3877 OH2 TIP3 254 90.601 60.160 45.721 1.00 0.00 WT1 O ATOM 3878 H1 TIP3 254 89.817 60.641 45.986 1.00 0.00 WT1 H ATOM 3879 H2 TIP3 254 90.609 60.222 44.766 1.00 0.00 WT1 H ATOM 3880 OH2 TIP3 255 68.796 17.675 48.569 1.00 0.00 WT1 O ATOM 3881 H1 TIP3 255 67.957 17.809 48.129 1.00 0.00 WT1 H ATOM 3882 H2 TIP3 255 68.866 18.408 49.180 1.00 0.00 WT1 H ATOM 3883 OH2 TIP3 256 21.111 47.851 7.664 1.00 0.00 WT1 O ATOM 3884 H1 TIP3 256 21.659 47.769 8.445 1.00 0.00 WT1 H ATOM 3885 H2 TIP3 256 20.622 47.029 7.627 1.00 0.00 WT1 H ATOM 3886 OH2 TIP3 257 78.991 76.251 -7.367 1.00 0.00 WT1 O ATOM 3887 H1 TIP3 257 79.358 76.167 -6.487 1.00 0.00 WT1 H ATOM 3888 H2 TIP3 257 78.063 76.436 -7.224 1.00 0.00 WT1 H ATOM 3889 OH2 TIP3 258 53.056 77.816 35.435 1.00 0.00 WT1 O ATOM 3890 H1 TIP3 258 53.098 76.872 35.591 1.00 0.00 WT1 H ATOM 3891 H2 TIP3 258 52.347 77.923 34.801 1.00 0.00 WT1 H ATOM 3892 OH2 TIP3 259 37.127 70.273 4.167 1.00 0.00 WT1 O ATOM 3893 H1 TIP3 259 36.282 69.943 4.472 1.00 0.00 WT1 H ATOM 3894 H2 TIP3 259 37.730 69.540 4.290 1.00 0.00 WT1 H ATOM 3895 OH2 TIP3 260 83.967 35.873 22.441 1.00 0.00 WT1 O ATOM 3896 H1 TIP3 260 84.885 36.083 22.270 1.00 0.00 WT1 H ATOM 3897 H2 TIP3 260 83.641 35.529 21.609 1.00 0.00 WT1 H ATOM 3898 OH2 TIP3 261 46.372 6.331 57.125 1.00 0.00 WT1 O ATOM 3899 H1 TIP3 261 46.211 5.411 57.334 1.00 0.00 WT1 H ATOM 3900 H2 TIP3 261 45.501 6.700 56.981 1.00 0.00 WT1 H ATOM 3901 OH2 TIP3 262 42.373 41.011 8.586 1.00 0.00 WT1 O ATOM 3902 H1 TIP3 262 42.254 41.566 9.357 1.00 0.00 WT1 H ATOM 3903 H2 TIP3 262 43.227 40.599 8.717 1.00 0.00 WT1 H ATOM 3904 OH2 TIP3 263 63.471 54.464 30.348 1.00 0.00 WT1 O ATOM 3905 H1 TIP3 263 62.734 53.894 30.567 1.00 0.00 WT1 H ATOM 3906 H2 TIP3 263 63.101 55.115 29.751 1.00 0.00 WT1 H ATOM 3907 OH2 TIP3 264 70.074 96.282 37.299 1.00 0.00 WT1 O ATOM 3908 H1 TIP3 264 69.238 96.344 37.763 1.00 0.00 WT1 H ATOM 3909 H2 TIP3 264 70.315 95.358 37.364 1.00 0.00 WT1 H ATOM 3910 OH2 TIP3 265 47.796 67.405 57.264 1.00 0.00 WT1 O ATOM 3911 H1 TIP3 265 47.680 67.541 56.324 1.00 0.00 WT1 H ATOM 3912 H2 TIP3 265 48.427 68.074 57.528 1.00 0.00 WT1 H ATOM 3913 OH2 TIP3 266 56.370 10.416 -4.844 1.00 0.00 WT1 O ATOM 3914 H1 TIP3 266 56.828 9.585 -4.714 1.00 0.00 WT1 H ATOM 3915 H2 TIP3 266 57.042 11.084 -4.707 1.00 0.00 WT1 H ATOM 3916 OH2 TIP3 267 80.223 28.920 -19.314 1.00 0.00 WT1 O ATOM 3917 H1 TIP3 267 80.807 29.611 -19.625 1.00 0.00 WT1 H ATOM 3918 H2 TIP3 267 80.808 28.258 -18.945 1.00 0.00 WT1 H ATOM 3919 OH2 TIP3 268 63.045 14.049 56.490 1.00 0.00 WT1 O ATOM 3920 H1 TIP3 268 62.990 14.019 57.445 1.00 0.00 WT1 H ATOM 3921 H2 TIP3 268 62.746 13.185 56.205 1.00 0.00 WT1 H ATOM 3922 OH2 TIP3 269 75.015 25.471 36.640 1.00 0.00 WT1 O ATOM 3923 H1 TIP3 269 75.356 25.703 35.776 1.00 0.00 WT1 H ATOM 3924 H2 TIP3 269 75.130 24.523 36.696 1.00 0.00 WT1 H ATOM 3925 OH2 TIP3 270 50.236 37.614 43.818 1.00 0.00 WT1 O ATOM 3926 H1 TIP3 270 50.839 38.194 43.352 1.00 0.00 WT1 H ATOM 3927 H2 TIP3 270 49.687 38.204 44.334 1.00 0.00 WT1 H ATOM 3928 OH2 TIP3 271 28.126 28.111 2.311 1.00 0.00 WT1 O ATOM 3929 H1 TIP3 271 27.899 28.210 3.236 1.00 0.00 WT1 H ATOM 3930 H2 TIP3 271 27.513 27.453 1.982 1.00 0.00 WT1 H ATOM 3931 OH2 TIP3 272 89.637 64.610 17.029 1.00 0.00 WT1 O ATOM 3932 H1 TIP3 272 90.025 64.055 17.706 1.00 0.00 WT1 H ATOM 3933 H2 TIP3 272 90.161 64.435 16.247 1.00 0.00 WT1 H ATOM 3934 OH2 TIP3 273 67.853 13.965 -18.223 1.00 0.00 WT1 O ATOM 3935 H1 TIP3 273 67.874 14.725 -18.805 1.00 0.00 WT1 H ATOM 3936 H2 TIP3 273 67.098 13.457 -18.520 1.00 0.00 WT1 H ATOM 3937 OH2 TIP3 274 68.183 18.129 -5.529 1.00 0.00 WT1 O ATOM 3938 H1 TIP3 274 68.942 18.488 -5.988 1.00 0.00 WT1 H ATOM 3939 H2 TIP3 274 68.020 18.747 -4.816 1.00 0.00 WT1 H ATOM 3940 OH2 TIP3 275 36.173 96.776 43.367 1.00 0.00 WT1 O ATOM 3941 H1 TIP3 275 36.019 95.848 43.546 1.00 0.00 WT1 H ATOM 3942 H2 TIP3 275 35.703 96.943 42.550 1.00 0.00 WT1 H ATOM 3943 OH2 TIP3 276 33.398 65.395 64.525 1.00 0.00 WT1 O ATOM 3944 H1 TIP3 276 32.594 65.029 64.158 1.00 0.00 WT1 H ATOM 3945 H2 TIP3 276 33.999 64.652 64.577 1.00 0.00 WT1 H ATOM 3946 OH2 TIP3 277 21.685 72.500 30.756 1.00 0.00 WT1 O ATOM 3947 H1 TIP3 277 21.662 72.849 31.648 1.00 0.00 WT1 H ATOM 3948 H2 TIP3 277 22.616 72.468 30.535 1.00 0.00 WT1 H ATOM 3949 OH2 TIP3 278 73.945 28.823 41.611 1.00 0.00 WT1 O ATOM 3950 H1 TIP3 278 73.061 28.987 41.939 1.00 0.00 WT1 H ATOM 3951 H2 TIP3 278 73.817 28.566 40.698 1.00 0.00 WT1 H ATOM 3952 OH2 TIP3 279 76.777 44.741 63.868 1.00 0.00 WT1 O ATOM 3953 H1 TIP3 279 76.892 44.098 63.169 1.00 0.00 WT1 H ATOM 3954 H2 TIP3 279 75.910 44.551 64.228 1.00 0.00 WT1 H ATOM 3955 OH2 TIP3 280 21.014 12.981 37.976 1.00 0.00 WT1 O ATOM 3956 H1 TIP3 280 20.907 12.984 37.025 1.00 0.00 WT1 H ATOM 3957 H2 TIP3 280 21.501 12.178 38.161 1.00 0.00 WT1 H ATOM 3958 OH2 TIP3 281 42.284 8.020 52.173 1.00 0.00 WT1 O ATOM 3959 H1 TIP3 281 43.114 7.593 51.961 1.00 0.00 WT1 H ATOM 3960 H2 TIP3 281 42.525 8.731 52.766 1.00 0.00 WT1 H ATOM 3961 OH2 TIP3 282 56.643 35.482 0.548 1.00 0.00 WT1 O ATOM 3962 H1 TIP3 282 56.487 35.302 1.475 1.00 0.00 WT1 H ATOM 3963 H2 TIP3 282 56.243 36.340 0.400 1.00 0.00 WT1 H ATOM 3964 OH2 TIP3 283 66.466 73.953 52.558 1.00 0.00 WT1 O ATOM 3965 H1 TIP3 283 66.422 74.701 51.963 1.00 0.00 WT1 H ATOM 3966 H2 TIP3 283 67.390 73.702 52.560 1.00 0.00 WT1 H ATOM 3967 OH2 TIP3 284 29.585 23.115 46.692 1.00 0.00 WT1 O ATOM 3968 H1 TIP3 284 29.995 22.267 46.862 1.00 0.00 WT1 H ATOM 3969 H2 TIP3 284 29.072 22.979 45.896 1.00 0.00 WT1 H ATOM 3970 OH2 TIP3 285 90.931 79.765 56.294 1.00 0.00 WT1 O ATOM 3971 H1 TIP3 285 90.324 79.659 55.560 1.00 0.00 WT1 H ATOM 3972 H2 TIP3 285 90.371 79.760 57.070 1.00 0.00 WT1 H ATOM 3973 OH2 TIP3 286 89.198 46.378 -8.404 1.00 0.00 WT1 O ATOM 3974 H1 TIP3 286 89.087 46.469 -7.457 1.00 0.00 WT1 H ATOM 3975 H2 TIP3 286 88.312 46.238 -8.737 1.00 0.00 WT1 H ATOM 3976 OH2 TIP3 287 31.857 24.493 47.834 1.00 0.00 WT1 O ATOM 3977 H1 TIP3 287 31.326 25.263 47.629 1.00 0.00 WT1 H ATOM 3978 H2 TIP3 287 31.281 23.750 47.658 1.00 0.00 WT1 H ATOM 3979 OH2 TIP3 288 71.165 57.926 27.773 1.00 0.00 WT1 O ATOM 3980 H1 TIP3 288 70.807 57.094 27.462 1.00 0.00 WT1 H ATOM 3981 H2 TIP3 288 70.615 58.159 28.520 1.00 0.00 WT1 H ATOM 3982 OH2 TIP3 289 69.059 47.779 29.518 1.00 0.00 WT1 O ATOM 3983 H1 TIP3 289 68.990 47.589 30.453 1.00 0.00 WT1 H ATOM 3984 H2 TIP3 289 68.298 48.328 29.327 1.00 0.00 WT1 H ATOM 3985 OH2 TIP3 290 30.867 77.356 42.221 1.00 0.00 WT1 O ATOM 3986 H1 TIP3 290 30.453 76.560 42.555 1.00 0.00 WT1 H ATOM 3987 H2 TIP3 290 31.526 77.578 42.879 1.00 0.00 WT1 H ATOM 3988 OH2 TIP3 291 84.248 41.766 7.636 1.00 0.00 WT1 O ATOM 3989 H1 TIP3 291 85.024 42.025 8.132 1.00 0.00 WT1 H ATOM 3990 H2 TIP3 291 83.819 41.110 8.186 1.00 0.00 WT1 H ATOM 3991 OH2 TIP3 292 27.971 56.347 38.784 1.00 0.00 WT1 O ATOM 3992 H1 TIP3 292 28.445 56.550 37.978 1.00 0.00 WT1 H ATOM 3993 H2 TIP3 292 27.630 57.191 39.081 1.00 0.00 WT1 H ATOM 3994 OH2 TIP3 293 82.038 63.671 0.278 1.00 0.00 WT1 O ATOM 3995 H1 TIP3 293 81.647 62.797 0.264 1.00 0.00 WT1 H ATOM 3996 H2 TIP3 293 82.676 63.660 -0.435 1.00 0.00 WT1 H ATOM 3997 OH2 TIP3 294 68.267 34.311 56.147 1.00 0.00 WT1 O ATOM 3998 H1 TIP3 294 67.496 34.097 56.672 1.00 0.00 WT1 H ATOM 3999 H2 TIP3 294 68.215 33.723 55.394 1.00 0.00 WT1 H ATOM 4000 OH2 TIP3 295 56.475 87.970 64.143 1.00 0.00 WT1 O ATOM 4001 H1 TIP3 295 56.208 87.418 63.407 1.00 0.00 WT1 H ATOM 4002 H2 TIP3 295 57.420 87.835 64.213 1.00 0.00 WT1 H ATOM 4003 OH2 TIP3 296 41.568 57.129 40.724 1.00 0.00 WT1 O ATOM 4004 H1 TIP3 296 42.197 57.848 40.785 1.00 0.00 WT1 H ATOM 4005 H2 TIP3 296 41.728 56.743 39.863 1.00 0.00 WT1 H ATOM 4006 OH2 TIP3 297 85.887 40.088 20.698 1.00 0.00 WT1 O ATOM 4007 H1 TIP3 297 86.097 40.595 19.914 1.00 0.00 WT1 H ATOM 4008 H2 TIP3 297 84.933 40.018 20.690 1.00 0.00 WT1 H ATOM 4009 OH2 TIP3 298 77.579 42.330 23.825 1.00 0.00 WT1 O ATOM 4010 H1 TIP3 298 77.581 43.285 23.758 1.00 0.00 WT1 H ATOM 4011 H2 TIP3 298 78.407 42.119 24.257 1.00 0.00 WT1 H ATOM 4012 OH2 TIP3 299 74.501 42.381 -13.855 1.00 0.00 WT1 O ATOM 4013 H1 TIP3 299 75.108 43.056 -13.554 1.00 0.00 WT1 H ATOM 4014 H2 TIP3 299 73.641 42.684 -13.562 1.00 0.00 WT1 H ATOM 4015 OH2 TIP3 300 43.609 79.832 19.748 1.00 0.00 WT1 O ATOM 4016 H1 TIP3 300 43.072 80.317 20.374 1.00 0.00 WT1 H ATOM 4017 H2 TIP3 300 44.332 79.484 20.270 1.00 0.00 WT1 H ATOM 4018 OH2 TIP3 301 45.049 4.985 25.634 1.00 0.00 WT1 O ATOM 4019 H1 TIP3 301 45.521 4.155 25.576 1.00 0.00 WT1 H ATOM 4020 H2 TIP3 301 44.851 5.212 24.725 1.00 0.00 WT1 H ATOM 4021 OH2 TIP3 302 57.093 7.318 6.723 1.00 0.00 WT1 O ATOM 4022 H1 TIP3 302 56.800 7.854 7.461 1.00 0.00 WT1 H ATOM 4023 H2 TIP3 302 56.471 6.591 6.694 1.00 0.00 WT1 H ATOM 4024 OH2 TIP3 303 39.275 46.897 -10.879 1.00 0.00 WT1 O ATOM 4025 H1 TIP3 303 39.973 46.705 -10.252 1.00 0.00 WT1 H ATOM 4026 H2 TIP3 303 39.039 47.807 -10.704 1.00 0.00 WT1 H ATOM 4027 OH2 TIP3 304 59.998 25.877 14.556 1.00 0.00 WT1 O ATOM 4028 H1 TIP3 304 59.484 26.212 15.291 1.00 0.00 WT1 H ATOM 4029 H2 TIP3 304 59.630 26.312 13.787 1.00 0.00 WT1 H ATOM 4030 OH2 TIP3 305 29.359 42.804 15.710 1.00 0.00 WT1 O ATOM 4031 H1 TIP3 305 29.938 42.464 16.392 1.00 0.00 WT1 H ATOM 4032 H2 TIP3 305 29.923 43.357 15.170 1.00 0.00 WT1 H ATOM 4033 OH2 TIP3 306 74.548 83.200 15.613 1.00 0.00 WT1 O ATOM 4034 H1 TIP3 306 74.431 84.043 16.051 1.00 0.00 WT1 H ATOM 4035 H2 TIP3 306 74.385 83.386 14.688 1.00 0.00 WT1 H ATOM 4036 OH2 TIP3 307 47.662 66.926 -10.435 1.00 0.00 WT1 O ATOM 4037 H1 TIP3 307 46.895 67.301 -10.003 1.00 0.00 WT1 H ATOM 4038 H2 TIP3 307 47.684 66.016 -10.137 1.00 0.00 WT1 H ATOM 4039 OH2 TIP3 308 36.746 79.505 -3.538 1.00 0.00 WT1 O ATOM 4040 H1 TIP3 308 37.010 80.028 -2.781 1.00 0.00 WT1 H ATOM 4041 H2 TIP3 308 37.451 78.866 -3.647 1.00 0.00 WT1 H ATOM 4042 OH2 TIP3 309 53.033 91.737 5.471 1.00 0.00 WT1 O ATOM 4043 H1 TIP3 309 52.700 91.497 6.336 1.00 0.00 WT1 H ATOM 4044 H2 TIP3 309 53.330 92.641 5.571 1.00 0.00 WT1 H ATOM 4045 OH2 TIP3 311 47.682 59.136 -20.101 1.00 0.00 WT1 O ATOM 4046 H1 TIP3 311 48.527 58.778 -20.372 1.00 0.00 WT1 H ATOM 4047 H2 TIP3 311 47.877 59.641 -19.311 1.00 0.00 WT1 H ATOM 4048 OH2 TIP3 312 88.677 53.731 34.265 1.00 0.00 WT1 O ATOM 4049 H1 TIP3 312 88.611 53.039 33.607 1.00 0.00 WT1 H ATOM 4050 H2 TIP3 312 87.783 53.844 34.586 1.00 0.00 WT1 H ATOM 4051 OH2 TIP3 313 60.603 0.454 55.540 1.00 0.00 WT1 O ATOM 4052 H1 TIP3 313 61.392 0.075 55.929 1.00 0.00 WT1 H ATOM 4053 H2 TIP3 313 60.436 1.242 56.058 1.00 0.00 WT1 H ATOM 4054 OH2 TIP3 314 23.758 37.733 30.284 1.00 0.00 WT1 O ATOM 4055 H1 TIP3 314 23.671 38.572 29.831 1.00 0.00 WT1 H ATOM 4056 H2 TIP3 314 23.045 37.197 29.937 1.00 0.00 WT1 H ATOM 4057 OH2 TIP3 316 50.540 35.422 45.442 1.00 0.00 WT1 O ATOM 4058 H1 TIP3 316 51.436 35.273 45.744 1.00 0.00 WT1 H ATOM 4059 H2 TIP3 316 50.621 36.108 44.779 1.00 0.00 WT1 H ATOM 4060 OH2 TIP3 317 38.327 49.900 41.640 1.00 0.00 WT1 O ATOM 4061 H1 TIP3 317 38.494 50.390 40.836 1.00 0.00 WT1 H ATOM 4062 H2 TIP3 317 39.100 50.058 42.182 1.00 0.00 WT1 H ATOM 4063 OH2 TIP3 318 43.143 92.103 53.106 1.00 0.00 WT1 O ATOM 4064 H1 TIP3 318 44.100 92.101 53.123 1.00 0.00 WT1 H ATOM 4065 H2 TIP3 318 42.894 91.289 53.545 1.00 0.00 WT1 H ATOM 4066 OH2 TIP3 319 79.673 59.829 50.689 1.00 0.00 WT1 O ATOM 4067 H1 TIP3 319 80.276 59.403 51.298 1.00 0.00 WT1 H ATOM 4068 H2 TIP3 319 80.168 59.900 49.872 1.00 0.00 WT1 H ATOM 4069 OH2 TIP3 320 74.543 61.888 0.733 1.00 0.00 WT1 O ATOM 4070 H1 TIP3 320 74.148 61.330 1.403 1.00 0.00 WT1 H ATOM 4071 H2 TIP3 320 75.402 62.119 1.087 1.00 0.00 WT1 H ATOM 4072 OH2 TIP3 321 46.037 36.433 -12.201 1.00 0.00 WT1 O ATOM 4073 H1 TIP3 321 45.797 36.051 -11.357 1.00 0.00 WT1 H ATOM 4074 H2 TIP3 321 45.592 35.886 -12.847 1.00 0.00 WT1 H ATOM 4075 OH2 TIP3 322 74.445 8.083 -12.317 1.00 0.00 WT1 O ATOM 4076 H1 TIP3 322 74.500 8.654 -13.083 1.00 0.00 WT1 H ATOM 4077 H2 TIP3 322 75.107 8.424 -11.716 1.00 0.00 WT1 H ATOM 4078 OH2 TIP3 324 33.349 70.353 26.327 1.00 0.00 WT1 O ATOM 4079 H1 TIP3 324 33.539 71.286 26.421 1.00 0.00 WT1 H ATOM 4080 H2 TIP3 324 33.808 70.094 25.527 1.00 0.00 WT1 H ATOM 4081 OH2 TIP3 325 46.389 35.420 8.094 1.00 0.00 WT1 O ATOM 4082 H1 TIP3 325 45.779 35.093 8.755 1.00 0.00 WT1 H ATOM 4083 H2 TIP3 325 47.099 35.817 8.599 1.00 0.00 WT1 H ATOM 4084 OH2 TIP3 326 30.204 60.033 -9.846 1.00 0.00 WT1 O ATOM 4085 H1 TIP3 326 30.517 59.704 -9.003 1.00 0.00 WT1 H ATOM 4086 H2 TIP3 326 29.343 60.404 -9.654 1.00 0.00 WT1 H ATOM 4087 OH2 TIP3 327 34.413 32.516 19.631 1.00 0.00 WT1 O ATOM 4088 H1 TIP3 327 34.654 33.351 19.230 1.00 0.00 WT1 H ATOM 4089 H2 TIP3 327 33.456 32.512 19.621 1.00 0.00 WT1 H ATOM 4090 OH2 TIP3 328 36.326 28.697 -6.703 1.00 0.00 WT1 O ATOM 4091 H1 TIP3 328 37.244 28.431 -6.756 1.00 0.00 WT1 H ATOM 4092 H2 TIP3 328 35.893 27.977 -6.243 1.00 0.00 WT1 H ATOM 4093 OH2 TIP3 329 22.624 88.081 35.058 1.00 0.00 WT1 O ATOM 4094 H1 TIP3 329 23.457 88.528 35.206 1.00 0.00 WT1 H ATOM 4095 H2 TIP3 329 21.991 88.788 34.932 1.00 0.00 WT1 H ATOM 4096 OH2 TIP3 330 38.435 59.970 -12.267 1.00 0.00 WT1 O ATOM 4097 H1 TIP3 330 37.643 59.487 -12.033 1.00 0.00 WT1 H ATOM 4098 H2 TIP3 330 38.994 59.904 -11.492 1.00 0.00 WT1 H ATOM 4099 OH2 TIP3 331 76.297 7.162 -9.109 1.00 0.00 WT1 O ATOM 4100 H1 TIP3 331 75.937 7.997 -9.407 1.00 0.00 WT1 H ATOM 4101 H2 TIP3 331 77.246 7.283 -9.145 1.00 0.00 WT1 H ATOM 4102 OH2 TIP3 332 90.286 69.056 7.116 1.00 0.00 WT1 O ATOM 4103 H1 TIP3 332 89.469 69.507 7.327 1.00 0.00 WT1 H ATOM 4104 H2 TIP3 332 90.014 68.178 6.849 1.00 0.00 WT1 H ATOM 4105 OH2 TIP3 333 60.646 76.817 56.698 1.00 0.00 WT1 O ATOM 4106 H1 TIP3 333 60.736 75.903 56.428 1.00 0.00 WT1 H ATOM 4107 H2 TIP3 333 59.879 76.824 57.270 1.00 0.00 WT1 H ATOM 4108 OH2 TIP3 335 72.674 54.106 38.604 1.00 0.00 WT1 O ATOM 4109 H1 TIP3 335 72.293 53.314 38.985 1.00 0.00 WT1 H ATOM 4110 H2 TIP3 335 73.104 54.542 39.339 1.00 0.00 WT1 H ATOM 4111 OH2 TIP3 336 52.544 50.720 41.391 1.00 0.00 WT1 O ATOM 4112 H1 TIP3 336 51.941 50.060 41.049 1.00 0.00 WT1 H ATOM 4113 H2 TIP3 336 53.384 50.265 41.458 1.00 0.00 WT1 H ATOM 4114 OH2 TIP3 337 59.492 52.357 -11.718 1.00 0.00 WT1 O ATOM 4115 H1 TIP3 337 59.630 52.031 -10.829 1.00 0.00 WT1 H ATOM 4116 H2 TIP3 337 58.666 52.838 -11.672 1.00 0.00 WT1 H ATOM 4117 OH2 TIP3 338 36.568 23.512 -19.189 1.00 0.00 WT1 O ATOM 4118 H1 TIP3 338 37.288 23.938 -19.654 1.00 0.00 WT1 H ATOM 4119 H2 TIP3 338 36.837 22.597 -19.117 1.00 0.00 WT1 H ATOM 4120 OH2 TIP3 339 50.589 35.786 58.533 1.00 0.00 WT1 O ATOM 4121 H1 TIP3 339 50.608 35.150 57.818 1.00 0.00 WT1 H ATOM 4122 H2 TIP3 339 50.927 36.593 58.145 1.00 0.00 WT1 H ATOM 4123 OH2 TIP3 340 84.691 53.183 16.950 1.00 0.00 WT1 O ATOM 4124 H1 TIP3 340 84.280 52.426 16.532 1.00 0.00 WT1 H ATOM 4125 H2 TIP3 340 85.339 53.486 16.313 1.00 0.00 WT1 H ATOM 4126 OH2 TIP3 341 82.423 68.929 51.800 1.00 0.00 WT1 O ATOM 4127 H1 TIP3 341 81.688 68.360 51.570 1.00 0.00 WT1 H ATOM 4128 H2 TIP3 341 82.399 68.977 52.755 1.00 0.00 WT1 H ATOM 4129 OH2 TIP3 342 68.032 21.339 58.720 1.00 0.00 WT1 O ATOM 4130 H1 TIP3 342 68.720 21.998 58.814 1.00 0.00 WT1 H ATOM 4131 H2 TIP3 342 68.391 20.556 59.139 1.00 0.00 WT1 H ATOM 4132 OH2 TIP3 343 74.082 67.500 19.806 1.00 0.00 WT1 O ATOM 4133 H1 TIP3 343 73.936 66.597 19.527 1.00 0.00 WT1 H ATOM 4134 H2 TIP3 343 73.733 67.536 20.697 1.00 0.00 WT1 H ATOM 4135 OH2 TIP3 344 89.736 91.893 10.916 1.00 0.00 WT1 O ATOM 4136 H1 TIP3 344 88.810 92.136 10.933 1.00 0.00 WT1 H ATOM 4137 H2 TIP3 344 89.983 91.822 11.838 1.00 0.00 WT1 H ATOM 4138 OH2 TIP3 345 34.950 26.974 32.864 1.00 0.00 WT1 O ATOM 4139 H1 TIP3 345 35.086 27.919 32.919 1.00 0.00 WT1 H ATOM 4140 H2 TIP3 345 35.040 26.772 31.933 1.00 0.00 WT1 H ATOM 4141 OH2 TIP3 346 78.720 54.825 1.230 1.00 0.00 WT1 O ATOM 4142 H1 TIP3 346 79.124 53.974 1.398 1.00 0.00 WT1 H ATOM 4143 H2 TIP3 346 78.495 54.804 0.300 1.00 0.00 WT1 H ATOM 4144 OH2 TIP3 347 29.154 73.099 11.814 1.00 0.00 WT1 O ATOM 4145 H1 TIP3 347 28.601 72.430 12.218 1.00 0.00 WT1 H ATOM 4146 H2 TIP3 347 29.409 73.669 12.540 1.00 0.00 WT1 H ATOM 4147 OH2 TIP3 348 29.570 22.796 38.878 1.00 0.00 WT1 O ATOM 4148 H1 TIP3 348 28.960 22.172 38.484 1.00 0.00 WT1 H ATOM 4149 H2 TIP3 348 29.066 23.605 38.962 1.00 0.00 WT1 H ATOM 4150 OH2 TIP3 349 30.453 67.631 19.621 1.00 0.00 WT1 O ATOM 4151 H1 TIP3 349 30.886 68.484 19.616 1.00 0.00 WT1 H ATOM 4152 H2 TIP3 349 31.169 66.998 19.570 1.00 0.00 WT1 H ATOM 4153 OH2 TIP3 350 34.523 42.167 26.763 1.00 0.00 WT1 O ATOM 4154 H1 TIP3 350 34.789 42.807 26.103 1.00 0.00 WT1 H ATOM 4155 H2 TIP3 350 33.614 41.961 26.545 1.00 0.00 WT1 H ATOM 4156 OH2 TIP3 352 74.520 76.274 27.129 1.00 0.00 WT1 O ATOM 4157 H1 TIP3 352 73.704 75.780 27.048 1.00 0.00 WT1 H ATOM 4158 H2 TIP3 352 74.375 76.856 27.875 1.00 0.00 WT1 H ATOM 4159 OH2 TIP3 353 70.963 59.163 18.311 1.00 0.00 WT1 O ATOM 4160 H1 TIP3 353 70.592 58.375 17.915 1.00 0.00 WT1 H ATOM 4161 H2 TIP3 353 70.366 59.866 18.053 1.00 0.00 WT1 H ATOM 4162 OH2 TIP3 355 78.252 71.556 63.490 1.00 0.00 WT1 O ATOM 4163 H1 TIP3 355 77.562 72.218 63.524 1.00 0.00 WT1 H ATOM 4164 H2 TIP3 355 77.935 70.850 64.053 1.00 0.00 WT1 H ATOM 4165 OH2 TIP3 356 90.017 19.445 1.183 1.00 0.00 WT1 O ATOM 4166 H1 TIP3 356 89.200 19.582 1.663 1.00 0.00 WT1 H ATOM 4167 H2 TIP3 356 90.401 20.318 1.108 1.00 0.00 WT1 H ATOM 4168 OH2 TIP3 357 74.624 43.204 51.164 1.00 0.00 WT1 O ATOM 4169 H1 TIP3 357 74.357 42.376 51.563 1.00 0.00 WT1 H ATOM 4170 H2 TIP3 357 75.488 43.382 51.535 1.00 0.00 WT1 H ATOM 4171 OH2 TIP3 358 46.054 9.948 59.121 1.00 0.00 WT1 O ATOM 4172 H1 TIP3 358 45.695 9.375 58.443 1.00 0.00 WT1 H ATOM 4173 H2 TIP3 358 47.002 9.833 59.055 1.00 0.00 WT1 H ATOM 4174 OH2 TIP3 359 76.046 33.150 29.208 1.00 0.00 WT1 O ATOM 4175 H1 TIP3 359 75.430 32.822 29.862 1.00 0.00 WT1 H ATOM 4176 H2 TIP3 359 75.543 33.170 28.394 1.00 0.00 WT1 H ATOM 4177 OH2 TIP3 360 34.924 18.730 3.883 1.00 0.00 WT1 O ATOM 4178 H1 TIP3 360 34.830 17.969 3.310 1.00 0.00 WT1 H ATOM 4179 H2 TIP3 360 34.642 19.471 3.346 1.00 0.00 WT1 H ATOM 4180 OH2 TIP3 361 27.220 63.165 1.055 1.00 0.00 WT1 O ATOM 4181 H1 TIP3 361 27.684 62.345 1.229 1.00 0.00 WT1 H ATOM 4182 H2 TIP3 361 26.988 63.497 1.922 1.00 0.00 WT1 H ATOM 4183 OH2 TIP3 362 34.179 5.944 7.166 1.00 0.00 WT1 O ATOM 4184 H1 TIP3 362 34.717 5.157 7.085 1.00 0.00 WT1 H ATOM 4185 H2 TIP3 362 33.625 5.937 6.386 1.00 0.00 WT1 H ATOM 4186 OH2 TIP3 363 61.443 73.197 4.940 1.00 0.00 WT1 O ATOM 4187 H1 TIP3 363 61.496 73.724 5.738 1.00 0.00 WT1 H ATOM 4188 H2 TIP3 363 61.556 72.295 5.240 1.00 0.00 WT1 H ATOM 4189 OH2 TIP3 364 63.119 31.395 57.049 1.00 0.00 WT1 O ATOM 4190 H1 TIP3 364 62.296 31.774 56.739 1.00 0.00 WT1 H ATOM 4191 H2 TIP3 364 63.206 31.712 57.947 1.00 0.00 WT1 H ATOM 4192 OH2 TIP3 365 41.049 80.088 7.795 1.00 0.00 WT1 O ATOM 4193 H1 TIP3 365 40.680 79.246 7.530 1.00 0.00 WT1 H ATOM 4194 H2 TIP3 365 41.072 80.050 8.751 1.00 0.00 WT1 H ATOM 4195 OH2 TIP3 366 71.835 26.168 -17.501 1.00 0.00 WT1 O ATOM 4196 H1 TIP3 366 72.705 26.336 -17.138 1.00 0.00 WT1 H ATOM 4197 H2 TIP3 366 71.982 25.510 -18.181 1.00 0.00 WT1 H ATOM 4198 OH2 TIP3 367 43.458 90.156 17.599 1.00 0.00 WT1 O ATOM 4199 H1 TIP3 367 44.102 89.461 17.463 1.00 0.00 WT1 H ATOM 4200 H2 TIP3 367 43.899 90.952 17.304 1.00 0.00 WT1 H ATOM 4201 OH2 TIP3 368 25.343 58.296 32.144 1.00 0.00 WT1 O ATOM 4202 H1 TIP3 368 25.151 57.361 32.077 1.00 0.00 WT1 H ATOM 4203 H2 TIP3 368 25.376 58.600 31.237 1.00 0.00 WT1 H ATOM 4204 OH2 TIP3 369 27.154 62.647 6.152 1.00 0.00 WT1 O ATOM 4205 H1 TIP3 369 26.251 62.470 6.416 1.00 0.00 WT1 H ATOM 4206 H2 TIP3 369 27.649 61.892 6.470 1.00 0.00 WT1 H ATOM 4207 OH2 TIP3 370 82.349 34.412 -15.566 1.00 0.00 WT1 O ATOM 4208 H1 TIP3 370 82.818 34.564 -16.386 1.00 0.00 WT1 H ATOM 4209 H2 TIP3 370 82.100 33.488 -15.600 1.00 0.00 WT1 H ATOM 4210 OH2 TIP3 371 81.201 57.174 61.852 1.00 0.00 WT1 O ATOM 4211 H1 TIP3 371 81.912 57.500 62.403 1.00 0.00 WT1 H ATOM 4212 H2 TIP3 371 80.541 57.868 61.876 1.00 0.00 WT1 H ATOM 4213 OH2 TIP3 372 21.055 84.282 14.855 1.00 0.00 WT1 O ATOM 4214 H1 TIP3 372 21.908 84.467 15.248 1.00 0.00 WT1 H ATOM 4215 H2 TIP3 372 21.058 83.337 14.707 1.00 0.00 WT1 H ATOM 4216 OH2 TIP3 373 63.756 64.693 38.984 1.00 0.00 WT1 O ATOM 4217 H1 TIP3 373 62.927 65.170 39.019 1.00 0.00 WT1 H ATOM 4218 H2 TIP3 373 63.527 63.797 39.231 1.00 0.00 WT1 H ATOM 4219 OH2 TIP3 374 39.652 69.209 54.966 1.00 0.00 WT1 O ATOM 4220 H1 TIP3 374 40.467 68.815 55.276 1.00 0.00 WT1 H ATOM 4221 H2 TIP3 374 39.569 68.908 54.061 1.00 0.00 WT1 H ATOM 4222 OH2 TIP3 375 26.731 94.744 50.494 1.00 0.00 WT1 O ATOM 4223 H1 TIP3 375 27.297 94.973 49.756 1.00 0.00 WT1 H ATOM 4224 H2 TIP3 375 27.233 94.097 50.989 1.00 0.00 WT1 H ATOM 4225 OH2 TIP3 376 90.934 2.784 54.022 1.00 0.00 WT1 O ATOM 4226 H1 TIP3 376 90.089 2.369 53.850 1.00 0.00 WT1 H ATOM 4227 H2 TIP3 376 91.199 2.446 54.877 1.00 0.00 WT1 H ATOM 4228 OH2 TIP3 377 23.194 84.335 18.478 1.00 0.00 WT1 O ATOM 4229 H1 TIP3 377 23.276 84.595 17.560 1.00 0.00 WT1 H ATOM 4230 H2 TIP3 377 22.863 85.117 18.920 1.00 0.00 WT1 H ATOM 4231 OH2 TIP3 378 57.000 7.333 -4.638 1.00 0.00 WT1 O ATOM 4232 H1 TIP3 378 57.861 7.549 -4.997 1.00 0.00 WT1 H ATOM 4233 H2 TIP3 378 56.691 6.605 -5.177 1.00 0.00 WT1 H ATOM 4234 OH2 TIP3 379 28.388 94.634 57.384 1.00 0.00 WT1 O ATOM 4235 H1 TIP3 379 28.493 95.260 58.100 1.00 0.00 WT1 H ATOM 4236 H2 TIP3 379 29.149 94.780 56.823 1.00 0.00 WT1 H ATOM 4237 OH2 TIP3 380 40.856 48.193 54.339 1.00 0.00 WT1 O ATOM 4238 H1 TIP3 380 40.988 47.444 54.920 1.00 0.00 WT1 H ATOM 4239 H2 TIP3 380 39.953 48.466 54.501 1.00 0.00 WT1 H ATOM 4240 OH2 TIP3 381 63.047 60.687 62.044 1.00 0.00 WT1 O ATOM 4241 H1 TIP3 381 63.035 60.098 62.798 1.00 0.00 WT1 H ATOM 4242 H2 TIP3 381 62.643 61.493 62.363 1.00 0.00 WT1 H ATOM 4243 OH2 TIP3 382 56.915 8.483 12.471 1.00 0.00 WT1 O ATOM 4244 H1 TIP3 382 56.342 9.240 12.348 1.00 0.00 WT1 H ATOM 4245 H2 TIP3 382 56.409 7.742 12.134 1.00 0.00 WT1 H ATOM 4246 OH2 TIP3 383 53.057 92.407 -17.411 1.00 0.00 WT1 O ATOM 4247 H1 TIP3 383 53.021 91.705 -18.061 1.00 0.00 WT1 H ATOM 4248 H2 TIP3 383 53.570 92.041 -16.691 1.00 0.00 WT1 H ATOM 4249 OH2 TIP3 384 76.320 42.794 1.295 1.00 0.00 WT1 O ATOM 4250 H1 TIP3 384 76.118 43.241 2.117 1.00 0.00 WT1 H ATOM 4251 H2 TIP3 384 75.543 42.926 0.752 1.00 0.00 WT1 H ATOM 4252 OH2 TIP3 385 29.187 12.817 -14.060 1.00 0.00 WT1 O ATOM 4253 H1 TIP3 385 29.864 12.186 -14.305 1.00 0.00 WT1 H ATOM 4254 H2 TIP3 385 28.984 13.280 -14.874 1.00 0.00 WT1 H ATOM 4255 OH2 TIP3 386 85.808 35.646 -6.192 1.00 0.00 WT1 O ATOM 4256 H1 TIP3 386 85.381 36.481 -6.381 1.00 0.00 WT1 H ATOM 4257 H2 TIP3 386 85.102 35.001 -6.226 1.00 0.00 WT1 H ATOM 4258 OH2 TIP3 387 55.407 36.086 2.942 1.00 0.00 WT1 O ATOM 4259 H1 TIP3 387 55.365 36.404 3.844 1.00 0.00 WT1 H ATOM 4260 H2 TIP3 387 54.676 36.518 2.501 1.00 0.00 WT1 H ATOM 4261 OH2 TIP3 388 26.788 82.205 4.037 1.00 0.00 WT1 O ATOM 4262 H1 TIP3 388 26.884 83.142 4.207 1.00 0.00 WT1 H ATOM 4263 H2 TIP3 388 27.680 81.861 4.075 1.00 0.00 WT1 H ATOM 4264 OH2 TIP3 389 86.129 39.954 50.987 1.00 0.00 WT1 O ATOM 4265 H1 TIP3 389 85.262 39.821 51.370 1.00 0.00 WT1 H ATOM 4266 H2 TIP3 389 86.585 40.516 51.613 1.00 0.00 WT1 H ATOM 4267 OH2 TIP3 390 76.068 72.479 53.994 1.00 0.00 WT1 O ATOM 4268 H1 TIP3 390 76.953 72.286 54.301 1.00 0.00 WT1 H ATOM 4269 H2 TIP3 390 75.624 71.631 53.991 1.00 0.00 WT1 H ATOM 4270 OH2 TIP3 391 22.440 45.248 12.314 1.00 0.00 WT1 O ATOM 4271 H1 TIP3 391 21.924 45.518 11.554 1.00 0.00 WT1 H ATOM 4272 H2 TIP3 391 21.919 45.525 13.068 1.00 0.00 WT1 H ATOM 4273 OH2 TIP3 392 20.039 25.411 52.405 1.00 0.00 WT1 O ATOM 4274 H1 TIP3 392 20.927 25.112 52.600 1.00 0.00 WT1 H ATOM 4275 H2 TIP3 392 19.955 25.311 51.457 1.00 0.00 WT1 H ATOM 4276 OH2 TIP3 393 64.397 36.585 65.762 1.00 0.00 WT1 O ATOM 4277 H1 TIP3 393 65.042 37.198 66.115 1.00 0.00 WT1 H ATOM 4278 H2 TIP3 393 64.177 36.017 66.500 1.00 0.00 WT1 H ATOM 4279 OH2 TIP3 394 70.448 1.927 18.338 1.00 0.00 WT1 O ATOM 4280 H1 TIP3 394 69.953 2.345 19.043 1.00 0.00 WT1 H ATOM 4281 H2 TIP3 394 70.592 2.624 17.699 1.00 0.00 WT1 H ATOM 4282 OH2 TIP3 395 78.367 43.798 -18.059 1.00 0.00 WT1 O ATOM 4283 H1 TIP3 395 78.893 44.568 -18.274 1.00 0.00 WT1 H ATOM 4284 H2 TIP3 395 77.562 43.909 -18.566 1.00 0.00 WT1 H ATOM 4285 OH2 TIP3 396 32.972 13.740 -11.117 1.00 0.00 WT1 O ATOM 4286 H1 TIP3 396 32.566 14.237 -10.408 1.00 0.00 WT1 H ATOM 4287 H2 TIP3 396 33.392 12.999 -10.681 1.00 0.00 WT1 H ATOM 4288 OH2 TIP3 397 65.382 89.766 45.919 1.00 0.00 WT1 O ATOM 4289 H1 TIP3 397 64.877 90.122 46.650 1.00 0.00 WT1 H ATOM 4290 H2 TIP3 397 65.479 90.502 45.315 1.00 0.00 WT1 H ATOM 4291 OH2 TIP3 399 20.269 68.237 -16.886 1.00 0.00 WT1 O ATOM 4292 H1 TIP3 399 20.886 68.612 -16.257 1.00 0.00 WT1 H ATOM 4293 H2 TIP3 399 19.597 68.911 -16.993 1.00 0.00 WT1 H ATOM 4294 OH2 TIP3 400 66.221 62.720 -15.130 1.00 0.00 WT1 O ATOM 4295 H1 TIP3 400 65.660 63.495 -15.092 1.00 0.00 WT1 H ATOM 4296 H2 TIP3 400 66.768 62.782 -14.348 1.00 0.00 WT1 H ATOM 4297 OH2 TIP3 401 66.529 51.555 6.048 1.00 0.00 WT1 O ATOM 4298 H1 TIP3 401 66.352 52.211 5.374 1.00 0.00 WT1 H ATOM 4299 H2 TIP3 401 66.427 52.027 6.875 1.00 0.00 WT1 H ATOM 4300 OH2 TIP3 402 30.500 32.035 25.620 1.00 0.00 WT1 O ATOM 4301 H1 TIP3 402 29.756 31.443 25.722 1.00 0.00 WT1 H ATOM 4302 H2 TIP3 402 31.250 31.537 25.947 1.00 0.00 WT1 H ATOM 4303 OH2 TIP3 403 78.263 67.842 0.929 1.00 0.00 WT1 O ATOM 4304 H1 TIP3 403 77.492 67.307 1.116 1.00 0.00 WT1 H ATOM 4305 H2 TIP3 403 78.248 67.961 -0.021 1.00 0.00 WT1 H ATOM 4306 OH2 TIP3 404 32.011 22.341 15.422 1.00 0.00 WT1 O ATOM 4307 H1 TIP3 404 32.089 23.107 15.991 1.00 0.00 WT1 H ATOM 4308 H2 TIP3 404 32.470 22.591 14.620 1.00 0.00 WT1 H ATOM 4309 OH2 TIP3 405 63.342 41.411 64.595 1.00 0.00 WT1 O ATOM 4310 H1 TIP3 405 63.007 42.233 64.952 1.00 0.00 WT1 H ATOM 4311 H2 TIP3 405 63.264 40.787 65.316 1.00 0.00 WT1 H ATOM 4312 OH2 TIP3 406 25.846 87.267 34.995 1.00 0.00 WT1 O ATOM 4313 H1 TIP3 406 26.067 86.533 35.568 1.00 0.00 WT1 H ATOM 4314 H2 TIP3 406 26.001 86.936 34.110 1.00 0.00 WT1 H ATOM 4315 OH2 TIP3 407 31.562 45.763 24.904 1.00 0.00 WT1 O ATOM 4316 H1 TIP3 407 32.464 45.731 25.221 1.00 0.00 WT1 H ATOM 4317 H2 TIP3 407 31.438 46.669 24.622 1.00 0.00 WT1 H ATOM 4318 OH2 TIP3 408 32.910 28.596 58.657 1.00 0.00 WT1 O ATOM 4319 H1 TIP3 408 32.497 27.834 58.252 1.00 0.00 WT1 H ATOM 4320 H2 TIP3 408 33.151 29.159 57.921 1.00 0.00 WT1 H ATOM 4321 OH2 TIP3 409 70.105 43.156 -6.505 1.00 0.00 WT1 O ATOM 4322 H1 TIP3 409 69.279 43.274 -6.036 1.00 0.00 WT1 H ATOM 4323 H2 TIP3 409 70.764 43.076 -5.815 1.00 0.00 WT1 H ATOM 4324 OH2 TIP3 411 30.450 20.727 17.121 1.00 0.00 WT1 O ATOM 4325 H1 TIP3 411 29.943 21.424 17.536 1.00 0.00 WT1 H ATOM 4326 H2 TIP3 411 30.985 21.177 16.466 1.00 0.00 WT1 H ATOM 4327 OH2 TIP3 412 39.525 60.801 12.960 1.00 0.00 WT1 O ATOM 4328 H1 TIP3 412 40.256 60.724 13.574 1.00 0.00 WT1 H ATOM 4329 H2 TIP3 412 39.478 59.945 12.535 1.00 0.00 WT1 H ATOM 4330 OH2 TIP3 413 79.511 24.376 66.526 1.00 0.00 WT1 O ATOM 4331 H1 TIP3 413 80.446 24.420 66.324 1.00 0.00 WT1 H ATOM 4332 H2 TIP3 413 79.470 24.407 67.482 1.00 0.00 WT1 H ATOM 4333 OH2 TIP3 414 51.867 62.471 11.079 1.00 0.00 WT1 O ATOM 4334 H1 TIP3 414 52.117 61.724 11.622 1.00 0.00 WT1 H ATOM 4335 H2 TIP3 414 52.522 63.141 11.276 1.00 0.00 WT1 H ATOM 4336 OH2 TIP3 415 63.073 46.276 -7.935 1.00 0.00 WT1 O ATOM 4337 H1 TIP3 415 62.942 45.331 -8.011 1.00 0.00 WT1 H ATOM 4338 H2 TIP3 415 63.486 46.394 -7.080 1.00 0.00 WT1 H ATOM 4339 OH2 TIP3 417 51.826 3.987 4.579 1.00 0.00 WT1 O ATOM 4340 H1 TIP3 417 51.902 4.917 4.364 1.00 0.00 WT1 H ATOM 4341 H2 TIP3 417 51.109 3.946 5.212 1.00 0.00 WT1 H ATOM 4342 OH2 TIP3 418 32.765 85.967 -7.564 1.00 0.00 WT1 O ATOM 4343 H1 TIP3 418 33.223 85.530 -8.281 1.00 0.00 WT1 H ATOM 4344 H2 TIP3 418 32.553 86.835 -7.908 1.00 0.00 WT1 H ATOM 4345 OH2 TIP3 419 62.506 49.763 51.116 1.00 0.00 WT1 O ATOM 4346 H1 TIP3 419 63.147 49.283 51.639 1.00 0.00 WT1 H ATOM 4347 H2 TIP3 419 62.569 49.375 50.243 1.00 0.00 WT1 H ATOM 4348 OH2 TIP3 420 77.984 51.814 46.357 1.00 0.00 WT1 O ATOM 4349 H1 TIP3 420 78.829 52.097 46.007 1.00 0.00 WT1 H ATOM 4350 H2 TIP3 420 77.796 50.995 45.897 1.00 0.00 WT1 H ATOM 4351 OH2 TIP3 421 85.272 10.200 -5.428 1.00 0.00 WT1 O ATOM 4352 H1 TIP3 421 85.705 10.958 -5.036 1.00 0.00 WT1 H ATOM 4353 H2 TIP3 421 85.960 9.761 -5.927 1.00 0.00 WT1 H ATOM 4354 OH2 TIP3 422 41.908 87.686 43.022 1.00 0.00 WT1 O ATOM 4355 H1 TIP3 422 41.511 87.511 43.875 1.00 0.00 WT1 H ATOM 4356 H2 TIP3 422 42.668 87.105 42.987 1.00 0.00 WT1 H ATOM 4357 OH2 TIP3 423 86.336 58.669 3.739 1.00 0.00 WT1 O ATOM 4358 H1 TIP3 423 85.754 58.053 3.295 1.00 0.00 WT1 H ATOM 4359 H2 TIP3 423 85.949 58.782 4.607 1.00 0.00 WT1 H ATOM 4360 OH2 TIP3 424 27.489 86.297 -5.506 1.00 0.00 WT1 O ATOM 4361 H1 TIP3 424 27.492 85.790 -6.318 1.00 0.00 WT1 H ATOM 4362 H2 TIP3 424 28.163 85.887 -4.965 1.00 0.00 WT1 H ATOM 4363 OH2 TIP3 425 79.938 76.250 26.972 1.00 0.00 WT1 O ATOM 4364 H1 TIP3 425 80.161 75.667 26.246 1.00 0.00 WT1 H ATOM 4365 H2 TIP3 425 79.261 75.780 27.458 1.00 0.00 WT1 H ATOM 4366 OH2 TIP3 426 22.767 68.721 11.548 1.00 0.00 WT1 O ATOM 4367 H1 TIP3 426 21.941 68.741 11.065 1.00 0.00 WT1 H ATOM 4368 H2 TIP3 426 23.232 67.962 11.197 1.00 0.00 WT1 H ATOM 4369 OH2 TIP3 427 49.822 89.228 10.652 1.00 0.00 WT1 O ATOM 4370 H1 TIP3 427 50.594 89.506 11.146 1.00 0.00 WT1 H ATOM 4371 H2 TIP3 427 49.303 88.727 11.281 1.00 0.00 WT1 H ATOM 4372 OH2 TIP3 428 39.988 37.650 -19.503 1.00 0.00 WT1 O ATOM 4373 H1 TIP3 428 39.619 37.193 -20.258 1.00 0.00 WT1 H ATOM 4374 H2 TIP3 428 39.317 38.286 -19.255 1.00 0.00 WT1 H ATOM 4375 OH2 TIP3 429 63.433 32.125 22.094 1.00 0.00 WT1 O ATOM 4376 H1 TIP3 429 62.661 32.119 21.528 1.00 0.00 WT1 H ATOM 4377 H2 TIP3 429 64.050 31.533 21.664 1.00 0.00 WT1 H ATOM 4378 OH2 TIP3 430 71.798 74.871 26.758 1.00 0.00 WT1 O ATOM 4379 H1 TIP3 430 71.366 74.263 27.358 1.00 0.00 WT1 H ATOM 4380 H2 TIP3 430 71.085 75.394 26.391 1.00 0.00 WT1 H ATOM 4381 OH2 TIP3 431 61.842 8.685 -2.565 1.00 0.00 WT1 O ATOM 4382 H1 TIP3 431 61.838 9.452 -1.992 1.00 0.00 WT1 H ATOM 4383 H2 TIP3 431 61.806 7.938 -1.967 1.00 0.00 WT1 H ATOM 4384 OH2 TIP3 432 36.150 93.323 57.037 1.00 0.00 WT1 O ATOM 4385 H1 TIP3 432 36.760 92.966 57.682 1.00 0.00 WT1 H ATOM 4386 H2 TIP3 432 35.672 92.561 56.711 1.00 0.00 WT1 H ATOM 4387 OH2 TIP3 433 74.049 50.962 23.628 1.00 0.00 WT1 O ATOM 4388 H1 TIP3 433 73.240 50.637 24.021 1.00 0.00 WT1 H ATOM 4389 H2 TIP3 433 73.785 51.281 22.764 1.00 0.00 WT1 H ATOM 4390 OH2 TIP3 434 73.348 65.140 58.691 1.00 0.00 WT1 O ATOM 4391 H1 TIP3 434 73.026 65.307 57.805 1.00 0.00 WT1 H ATOM 4392 H2 TIP3 434 72.679 65.512 59.264 1.00 0.00 WT1 H ATOM 4393 OH2 TIP3 435 68.908 48.041 57.461 1.00 0.00 WT1 O ATOM 4394 H1 TIP3 435 68.380 48.747 57.833 1.00 0.00 WT1 H ATOM 4395 H2 TIP3 435 68.278 47.346 57.269 1.00 0.00 WT1 H ATOM 4396 OH2 TIP3 436 60.834 48.188 1.606 1.00 0.00 WT1 O ATOM 4397 H1 TIP3 436 61.612 48.666 1.317 1.00 0.00 WT1 H ATOM 4398 H2 TIP3 436 61.134 47.674 2.355 1.00 0.00 WT1 H ATOM 4399 OH2 TIP3 437 76.376 2.103 -15.087 1.00 0.00 WT1 O ATOM 4400 H1 TIP3 437 76.427 1.148 -15.053 1.00 0.00 WT1 H ATOM 4401 H2 TIP3 437 76.155 2.300 -15.997 1.00 0.00 WT1 H ATOM 4402 OH2 TIP3 438 66.250 83.562 -17.155 1.00 0.00 WT1 O ATOM 4403 H1 TIP3 438 66.369 83.084 -16.334 1.00 0.00 WT1 H ATOM 4404 H2 TIP3 438 65.566 84.203 -16.962 1.00 0.00 WT1 H ATOM 4405 OH2 TIP3 439 27.383 81.300 -14.986 1.00 0.00 WT1 O ATOM 4406 H1 TIP3 439 27.075 81.568 -15.852 1.00 0.00 WT1 H ATOM 4407 H2 TIP3 439 27.483 82.121 -14.503 1.00 0.00 WT1 H ATOM 4408 OH2 TIP3 440 65.408 85.211 26.004 1.00 0.00 WT1 O ATOM 4409 H1 TIP3 440 64.547 85.330 25.604 1.00 0.00 WT1 H ATOM 4410 H2 TIP3 440 65.486 84.265 26.130 1.00 0.00 WT1 H ATOM 4411 OH2 TIP3 441 48.454 82.714 16.257 1.00 0.00 WT1 O ATOM 4412 H1 TIP3 441 48.136 81.906 16.659 1.00 0.00 WT1 H ATOM 4413 H2 TIP3 441 47.761 83.353 16.422 1.00 0.00 WT1 H ATOM 4414 OH2 TIP3 442 52.830 25.437 16.708 1.00 0.00 WT1 O ATOM 4415 H1 TIP3 442 52.033 25.795 16.317 1.00 0.00 WT1 H ATOM 4416 H2 TIP3 442 52.839 25.788 17.599 1.00 0.00 WT1 H ATOM 4417 OH2 TIP3 443 78.759 72.175 20.108 1.00 0.00 WT1 O ATOM 4418 H1 TIP3 443 79.463 71.609 19.791 1.00 0.00 WT1 H ATOM 4419 H2 TIP3 443 78.978 72.340 21.025 1.00 0.00 WT1 H ATOM 4420 OH2 TIP3 444 71.883 38.413 26.921 1.00 0.00 WT1 O ATOM 4421 H1 TIP3 444 71.742 38.891 26.104 1.00 0.00 WT1 H ATOM 4422 H2 TIP3 444 72.813 38.183 26.906 1.00 0.00 WT1 H ATOM 4423 OH2 TIP3 446 88.772 64.572 44.033 1.00 0.00 WT1 O ATOM 4424 H1 TIP3 446 88.213 64.102 44.652 1.00 0.00 WT1 H ATOM 4425 H2 TIP3 446 88.576 64.174 43.184 1.00 0.00 WT1 H ATOM 4426 OH2 TIP3 447 77.774 64.340 -4.819 1.00 0.00 WT1 O ATOM 4427 H1 TIP3 447 77.721 65.291 -4.913 1.00 0.00 WT1 H ATOM 4428 H2 TIP3 447 76.875 64.066 -4.639 1.00 0.00 WT1 H ATOM 4429 OH2 TIP3 448 69.629 23.411 23.926 1.00 0.00 WT1 O ATOM 4430 H1 TIP3 448 69.997 23.943 23.221 1.00 0.00 WT1 H ATOM 4431 H2 TIP3 448 69.394 24.042 24.606 1.00 0.00 WT1 H ATOM 4432 OH2 TIP3 450 60.228 91.417 35.523 1.00 0.00 WT1 O ATOM 4433 H1 TIP3 450 59.961 90.721 36.124 1.00 0.00 WT1 H ATOM 4434 H2 TIP3 450 59.975 91.096 34.657 1.00 0.00 WT1 H ATOM 4435 OH2 TIP3 451 69.142 38.948 -10.965 1.00 0.00 WT1 O ATOM 4436 H1 TIP3 451 68.635 39.125 -11.757 1.00 0.00 WT1 H ATOM 4437 H2 TIP3 451 70.011 38.705 -11.285 1.00 0.00 WT1 H ATOM 4438 OH2 TIP3 452 25.079 55.712 36.379 1.00 0.00 WT1 O ATOM 4439 H1 TIP3 452 24.130 55.822 36.333 1.00 0.00 WT1 H ATOM 4440 H2 TIP3 452 25.400 56.541 36.735 1.00 0.00 WT1 H ATOM 4441 OH2 TIP3 453 88.431 23.194 -10.391 1.00 0.00 WT1 O ATOM 4442 H1 TIP3 453 88.227 22.364 -9.960 1.00 0.00 WT1 H ATOM 4443 H2 TIP3 453 88.886 23.706 -9.722 1.00 0.00 WT1 H ATOM 4444 OH2 TIP3 454 44.550 92.095 15.989 1.00 0.00 WT1 O ATOM 4445 H1 TIP3 454 44.585 92.812 15.355 1.00 0.00 WT1 H ATOM 4446 H2 TIP3 454 45.441 91.746 16.005 1.00 0.00 WT1 H ATOM 4447 OH2 TIP3 455 34.401 4.994 62.309 1.00 0.00 WT1 O ATOM 4448 H1 TIP3 455 33.783 5.252 62.993 1.00 0.00 WT1 H ATOM 4449 H2 TIP3 455 34.996 4.380 62.741 1.00 0.00 WT1 H ATOM 4450 OH2 TIP3 456 32.739 75.426 30.688 1.00 0.00 WT1 O ATOM 4451 H1 TIP3 456 33.501 75.430 30.110 1.00 0.00 WT1 H ATOM 4452 H2 TIP3 456 33.051 75.014 31.494 1.00 0.00 WT1 H ATOM 4453 OH2 TIP3 457 31.873 17.559 18.185 1.00 0.00 WT1 O ATOM 4454 H1 TIP3 457 31.849 17.692 17.237 1.00 0.00 WT1 H ATOM 4455 H2 TIP3 457 31.387 18.302 18.544 1.00 0.00 WT1 H ATOM 4456 OH2 TIP3 458 71.980 46.346 30.784 1.00 0.00 WT1 O ATOM 4457 H1 TIP3 458 72.565 47.040 31.089 1.00 0.00 WT1 H ATOM 4458 H2 TIP3 458 71.284 46.313 31.439 1.00 0.00 WT1 H ATOM 4459 OH2 TIP3 459 74.083 32.356 44.486 1.00 0.00 WT1 O ATOM 4460 H1 TIP3 459 73.668 31.708 43.916 1.00 0.00 WT1 H ATOM 4461 H2 TIP3 459 74.919 32.550 44.061 1.00 0.00 WT1 H ATOM 4462 OH2 TIP3 460 66.342 31.248 -5.565 1.00 0.00 WT1 O ATOM 4463 H1 TIP3 460 66.777 31.884 -6.132 1.00 0.00 WT1 H ATOM 4464 H2 TIP3 460 66.133 31.738 -4.770 1.00 0.00 WT1 H ATOM 4465 OH2 TIP3 461 71.907 84.997 11.135 1.00 0.00 WT1 O ATOM 4466 H1 TIP3 461 71.915 84.071 10.892 1.00 0.00 WT1 H ATOM 4467 H2 TIP3 461 71.091 85.334 10.766 1.00 0.00 WT1 H ATOM 4468 OH2 TIP3 462 86.261 17.983 -14.307 1.00 0.00 WT1 O ATOM 4469 H1 TIP3 462 87.172 17.929 -14.595 1.00 0.00 WT1 H ATOM 4470 H2 TIP3 462 86.246 18.723 -13.700 1.00 0.00 WT1 H ATOM 4471 OH2 TIP3 463 76.415 28.656 -17.127 1.00 0.00 WT1 O ATOM 4472 H1 TIP3 463 75.837 29.369 -16.858 1.00 0.00 WT1 H ATOM 4473 H2 TIP3 463 76.812 28.963 -17.942 1.00 0.00 WT1 H ATOM 4474 OH2 TIP3 465 25.198 6.267 44.409 1.00 0.00 WT1 O ATOM 4475 H1 TIP3 465 26.048 5.833 44.338 1.00 0.00 WT1 H ATOM 4476 H2 TIP3 465 24.599 5.577 44.694 1.00 0.00 WT1 H ATOM 4477 OH2 TIP3 466 78.796 19.970 10.674 1.00 0.00 WT1 O ATOM 4478 H1 TIP3 466 78.026 19.506 10.345 1.00 0.00 WT1 H ATOM 4479 H2 TIP3 466 78.488 20.863 10.831 1.00 0.00 WT1 H ATOM 4480 OH2 TIP3 467 66.259 28.542 35.171 1.00 0.00 WT1 O ATOM 4481 H1 TIP3 467 65.373 28.811 35.416 1.00 0.00 WT1 H ATOM 4482 H2 TIP3 467 66.198 28.334 34.239 1.00 0.00 WT1 H ATOM 4483 OH2 TIP3 468 34.796 15.953 -2.840 1.00 0.00 WT1 O ATOM 4484 H1 TIP3 468 35.518 16.315 -2.327 1.00 0.00 WT1 H ATOM 4485 H2 TIP3 468 34.697 15.058 -2.515 1.00 0.00 WT1 H ATOM 4486 OH2 TIP3 469 49.241 84.482 20.617 1.00 0.00 WT1 O ATOM 4487 H1 TIP3 469 48.872 84.550 21.498 1.00 0.00 WT1 H ATOM 4488 H2 TIP3 469 48.479 84.454 20.039 1.00 0.00 WT1 H ATOM 4489 OH2 TIP3 470 59.603 71.302 -17.482 1.00 0.00 WT1 O ATOM 4490 H1 TIP3 470 60.288 70.651 -17.638 1.00 0.00 WT1 H ATOM 4491 H2 TIP3 470 58.848 70.791 -17.192 1.00 0.00 WT1 H ATOM 4492 OH2 TIP3 471 33.468 75.963 -11.710 1.00 0.00 WT1 O ATOM 4493 H1 TIP3 471 34.219 76.537 -11.857 1.00 0.00 WT1 H ATOM 4494 H2 TIP3 471 33.802 75.082 -11.881 1.00 0.00 WT1 H ATOM 4495 OH2 TIP3 472 61.735 35.921 -1.938 1.00 0.00 WT1 O ATOM 4496 H1 TIP3 472 62.446 36.422 -1.538 1.00 0.00 WT1 H ATOM 4497 H2 TIP3 472 60.938 36.282 -1.549 1.00 0.00 WT1 H ATOM 4498 OH2 TIP3 473 34.070 51.485 -4.511 1.00 0.00 WT1 O ATOM 4499 H1 TIP3 473 34.451 52.110 -3.895 1.00 0.00 WT1 H ATOM 4500 H2 TIP3 473 33.158 51.762 -4.602 1.00 0.00 WT1 H ATOM 4501 OH2 TIP3 474 52.186 40.932 3.150 1.00 0.00 WT1 O ATOM 4502 H1 TIP3 474 51.794 40.465 3.888 1.00 0.00 WT1 H ATOM 4503 H2 TIP3 474 52.318 41.823 3.474 1.00 0.00 WT1 H ATOM 4504 OH2 TIP3 475 25.362 9.207 -2.927 1.00 0.00 WT1 O ATOM 4505 H1 TIP3 475 26.287 9.103 -2.703 1.00 0.00 WT1 H ATOM 4506 H2 TIP3 475 25.009 9.766 -2.236 1.00 0.00 WT1 H ATOM 4507 OH2 TIP3 476 78.848 37.111 -16.296 1.00 0.00 WT1 O ATOM 4508 H1 TIP3 476 79.729 37.101 -16.670 1.00 0.00 WT1 H ATOM 4509 H2 TIP3 476 78.809 36.323 -15.753 1.00 0.00 WT1 H ATOM 4510 OH2 TIP3 477 28.057 9.552 -7.616 1.00 0.00 WT1 O ATOM 4511 H1 TIP3 477 27.237 9.803 -7.189 1.00 0.00 WT1 H ATOM 4512 H2 TIP3 477 27.857 9.575 -8.551 1.00 0.00 WT1 H ATOM 4513 OH2 TIP3 478 49.313 81.790 48.534 1.00 0.00 WT1 O ATOM 4514 H1 TIP3 478 49.054 80.869 48.578 1.00 0.00 WT1 H ATOM 4515 H2 TIP3 478 49.481 81.948 47.606 1.00 0.00 WT1 H ATOM 4516 OH2 TIP3 479 52.419 8.533 20.158 1.00 0.00 WT1 O ATOM 4517 H1 TIP3 479 52.053 8.911 20.958 1.00 0.00 WT1 H ATOM 4518 H2 TIP3 479 51.886 8.899 19.453 1.00 0.00 WT1 H ATOM 4519 OH2 TIP3 480 69.506 62.678 34.270 1.00 0.00 WT1 O ATOM 4520 H1 TIP3 480 69.015 63.424 33.925 1.00 0.00 WT1 H ATOM 4521 H2 TIP3 480 69.832 62.226 33.492 1.00 0.00 WT1 H ATOM 4522 OH2 TIP3 481 56.311 53.253 64.749 1.00 0.00 WT1 O ATOM 4523 H1 TIP3 481 57.141 53.080 65.192 1.00 0.00 WT1 H ATOM 4524 H2 TIP3 481 55.658 53.244 65.450 1.00 0.00 WT1 H ATOM 4525 OH2 TIP3 482 31.442 92.913 56.111 1.00 0.00 WT1 O ATOM 4526 H1 TIP3 482 32.396 92.992 56.143 1.00 0.00 WT1 H ATOM 4527 H2 TIP3 482 31.130 93.815 56.039 1.00 0.00 WT1 H ATOM 4528 OH2 TIP3 483 51.352 14.697 61.216 1.00 0.00 WT1 O ATOM 4529 H1 TIP3 483 50.851 14.392 60.460 1.00 0.00 WT1 H ATOM 4530 H2 TIP3 483 50.897 14.326 61.972 1.00 0.00 WT1 H ATOM 4531 OH2 TIP3 484 74.255 94.419 16.402 1.00 0.00 WT1 O ATOM 4532 H1 TIP3 484 74.089 94.863 17.233 1.00 0.00 WT1 H ATOM 4533 H2 TIP3 484 75.189 94.211 16.423 1.00 0.00 WT1 H ATOM 4534 OH2 TIP3 485 84.006 85.340 15.130 1.00 0.00 WT1 O ATOM 4535 H1 TIP3 485 84.310 85.564 14.250 1.00 0.00 WT1 H ATOM 4536 H2 TIP3 485 84.708 84.801 15.496 1.00 0.00 WT1 H ATOM 4537 OH2 TIP3 486 45.880 77.539 4.256 1.00 0.00 WT1 O ATOM 4538 H1 TIP3 486 45.869 77.136 5.124 1.00 0.00 WT1 H ATOM 4539 H2 TIP3 486 45.349 78.330 4.352 1.00 0.00 WT1 H ATOM 4540 OH2 TIP3 487 68.818 37.531 -18.968 1.00 0.00 WT1 O ATOM 4541 H1 TIP3 487 68.291 36.941 -18.429 1.00 0.00 WT1 H ATOM 4542 H2 TIP3 487 69.338 36.949 -19.522 1.00 0.00 WT1 H ATOM 4543 OH2 TIP3 488 77.768 58.943 56.824 1.00 0.00 WT1 O ATOM 4544 H1 TIP3 488 77.493 58.170 56.332 1.00 0.00 WT1 H ATOM 4545 H2 TIP3 488 77.242 58.919 57.623 1.00 0.00 WT1 H ATOM 4546 OH2 TIP3 489 33.016 73.439 -17.996 1.00 0.00 WT1 O ATOM 4547 H1 TIP3 489 32.071 73.572 -18.071 1.00 0.00 WT1 H ATOM 4548 H2 TIP3 489 33.400 74.249 -18.333 1.00 0.00 WT1 H ATOM 4549 OH2 TIP3 490 26.596 15.520 -3.512 1.00 0.00 WT1 O ATOM 4550 H1 TIP3 490 27.504 15.407 -3.795 1.00 0.00 WT1 H ATOM 4551 H2 TIP3 490 26.504 16.461 -3.368 1.00 0.00 WT1 H ATOM 4552 OH2 TIP3 491 49.174 14.489 59.672 1.00 0.00 WT1 O ATOM 4553 H1 TIP3 491 48.921 13.598 59.912 1.00 0.00 WT1 H ATOM 4554 H2 TIP3 491 48.364 14.893 59.361 1.00 0.00 WT1 H ATOM 4555 OH2 TIP3 492 71.053 85.218 31.081 1.00 0.00 WT1 O ATOM 4556 H1 TIP3 492 70.607 84.826 30.330 1.00 0.00 WT1 H ATOM 4557 H2 TIP3 492 71.596 84.513 31.433 1.00 0.00 WT1 H ATOM 4558 OH2 TIP3 493 23.022 44.947 -7.429 1.00 0.00 WT1 O ATOM 4559 H1 TIP3 493 22.629 45.503 -6.756 1.00 0.00 WT1 H ATOM 4560 H2 TIP3 493 23.812 45.416 -7.696 1.00 0.00 WT1 H ATOM 4561 OH2 TIP3 494 28.296 10.324 0.267 1.00 0.00 WT1 O ATOM 4562 H1 TIP3 494 27.807 11.123 0.468 1.00 0.00 WT1 H ATOM 4563 H2 TIP3 494 28.997 10.302 0.919 1.00 0.00 WT1 H ATOM 4564 OH2 TIP3 495 56.908 28.787 -1.771 1.00 0.00 WT1 O ATOM 4565 H1 TIP3 495 57.454 29.572 -1.800 1.00 0.00 WT1 H ATOM 4566 H2 TIP3 495 56.055 29.076 -2.095 1.00 0.00 WT1 H ATOM 4567 OH2 TIP3 496 41.561 83.029 12.137 1.00 0.00 WT1 O ATOM 4568 H1 TIP3 496 41.406 83.002 13.081 1.00 0.00 WT1 H ATOM 4569 H2 TIP3 496 42.212 82.344 11.981 1.00 0.00 WT1 H ATOM 4570 OH2 TIP3 497 22.204 78.154 13.770 1.00 0.00 WT1 O ATOM 4571 H1 TIP3 497 22.534 79.010 14.044 1.00 0.00 WT1 H ATOM 4572 H2 TIP3 497 21.760 77.809 14.545 1.00 0.00 WT1 H ATOM 4573 OH2 TIP3 498 70.199 25.927 15.451 1.00 0.00 WT1 O ATOM 4574 H1 TIP3 498 70.108 26.876 15.543 1.00 0.00 WT1 H ATOM 4575 H2 TIP3 498 69.381 25.647 15.042 1.00 0.00 WT1 H ATOM 4576 OH2 TIP3 499 29.697 17.412 12.832 1.00 0.00 WT1 O ATOM 4577 H1 TIP3 499 28.897 17.075 13.235 1.00 0.00 WT1 H ATOM 4578 H2 TIP3 499 30.272 17.612 13.571 1.00 0.00 WT1 H ATOM 4579 OH2 TIP3 500 81.492 67.058 21.575 1.00 0.00 WT1 O ATOM 4580 H1 TIP3 500 81.769 66.146 21.486 1.00 0.00 WT1 H ATOM 4581 H2 TIP3 500 80.536 67.022 21.547 1.00 0.00 WT1 H ATOM 4582 OH2 TIP3 501 46.079 47.602 1.960 1.00 0.00 WT1 O ATOM 4583 H1 TIP3 501 46.523 48.192 2.569 1.00 0.00 WT1 H ATOM 4584 H2 TIP3 501 46.782 47.241 1.420 1.00 0.00 WT1 H ATOM 4585 OH2 TIP3 502 32.525 79.396 48.443 1.00 0.00 WT1 O ATOM 4586 H1 TIP3 502 31.696 79.677 48.056 1.00 0.00 WT1 H ATOM 4587 H2 TIP3 502 33.085 79.196 47.693 1.00 0.00 WT1 H ATOM 4588 OH2 TIP3 503 33.301 12.728 49.584 1.00 0.00 WT1 O ATOM 4589 H1 TIP3 503 33.590 11.826 49.446 1.00 0.00 WT1 H ATOM 4590 H2 TIP3 503 34.044 13.264 49.307 1.00 0.00 WT1 H ATOM 4591 OH2 TIP3 504 65.573 85.654 11.333 1.00 0.00 WT1 O ATOM 4592 H1 TIP3 504 65.862 85.075 10.627 1.00 0.00 WT1 H ATOM 4593 H2 TIP3 504 65.241 85.061 12.008 1.00 0.00 WT1 H ATOM 4594 OH2 TIP3 505 85.848 79.882 5.621 1.00 0.00 WT1 O ATOM 4595 H1 TIP3 505 85.835 78.943 5.437 1.00 0.00 WT1 H ATOM 4596 H2 TIP3 505 85.483 80.286 4.834 1.00 0.00 WT1 H ATOM 4597 OH2 TIP3 506 88.795 0.824 21.413 1.00 0.00 WT1 O ATOM 4598 H1 TIP3 506 88.341 1.643 21.614 1.00 0.00 WT1 H ATOM 4599 H2 TIP3 506 88.502 0.215 22.090 1.00 0.00 WT1 H ATOM 4600 OH2 TIP3 507 58.719 31.015 46.045 1.00 0.00 WT1 O ATOM 4601 H1 TIP3 507 58.027 31.280 46.650 1.00 0.00 WT1 H ATOM 4602 H2 TIP3 507 59.175 31.830 45.830 1.00 0.00 WT1 H ATOM 4603 OH2 TIP3 508 79.589 10.063 37.402 1.00 0.00 WT1 O ATOM 4604 H1 TIP3 508 80.517 10.116 37.174 1.00 0.00 WT1 H ATOM 4605 H2 TIP3 508 79.341 9.164 37.189 1.00 0.00 WT1 H ATOM 4606 OH2 TIP3 509 44.890 65.759 3.491 1.00 0.00 WT1 O ATOM 4607 H1 TIP3 509 44.757 65.025 2.892 1.00 0.00 WT1 H ATOM 4608 H2 TIP3 509 45.548 65.446 4.112 1.00 0.00 WT1 H ATOM 4609 OH2 TIP3 510 45.470 88.678 16.575 1.00 0.00 WT1 O ATOM 4610 H1 TIP3 510 44.973 88.454 15.789 1.00 0.00 WT1 H ATOM 4611 H2 TIP3 510 46.332 88.287 16.433 1.00 0.00 WT1 H ATOM 4612 OH2 TIP3 511 35.812 8.063 37.837 1.00 0.00 WT1 O ATOM 4613 H1 TIP3 511 36.520 7.508 37.510 1.00 0.00 WT1 H ATOM 4614 H2 TIP3 511 36.067 8.950 37.584 1.00 0.00 WT1 H ATOM 4615 OH2 TIP3 512 33.102 14.598 51.844 1.00 0.00 WT1 O ATOM 4616 H1 TIP3 512 33.415 13.863 51.317 1.00 0.00 WT1 H ATOM 4617 H2 TIP3 512 32.178 14.683 51.612 1.00 0.00 WT1 H ATOM 4618 OH2 TIP3 513 29.721 64.355 31.434 1.00 0.00 WT1 O ATOM 4619 H1 TIP3 513 30.481 64.933 31.505 1.00 0.00 WT1 H ATOM 4620 H2 TIP3 513 29.062 64.880 30.980 1.00 0.00 WT1 H ATOM 4621 OH2 TIP3 514 23.925 26.511 32.871 1.00 0.00 WT1 O ATOM 4622 H1 TIP3 514 23.562 27.391 32.971 1.00 0.00 WT1 H ATOM 4623 H2 TIP3 514 24.716 26.635 32.347 1.00 0.00 WT1 H ATOM 4624 OH2 TIP3 515 77.951 46.168 17.186 1.00 0.00 WT1 O ATOM 4625 H1 TIP3 515 77.196 46.360 17.742 1.00 0.00 WT1 H ATOM 4626 H2 TIP3 515 77.575 45.977 16.327 1.00 0.00 WT1 H ATOM 4627 OH2 TIP3 516 73.112 91.717 21.403 1.00 0.00 WT1 O ATOM 4628 H1 TIP3 516 72.660 92.442 20.970 1.00 0.00 WT1 H ATOM 4629 H2 TIP3 516 73.765 91.427 20.766 1.00 0.00 WT1 H ATOM 4630 OH2 TIP3 517 52.382 22.608 60.457 1.00 0.00 WT1 O ATOM 4631 H1 TIP3 517 52.853 23.225 61.018 1.00 0.00 WT1 H ATOM 4632 H2 TIP3 517 53.013 21.909 60.285 1.00 0.00 WT1 H ATOM 4633 OH2 TIP3 518 39.998 86.045 -9.398 1.00 0.00 WT1 O ATOM 4634 H1 TIP3 518 39.248 85.893 -8.824 1.00 0.00 WT1 H ATOM 4635 H2 TIP3 518 40.750 86.087 -8.807 1.00 0.00 WT1 H ATOM 4636 OH2 TIP3 519 50.184 26.143 19.248 1.00 0.00 WT1 O ATOM 4637 H1 TIP3 519 50.184 26.875 19.865 1.00 0.00 WT1 H ATOM 4638 H2 TIP3 519 49.484 26.351 18.629 1.00 0.00 WT1 H ATOM 4639 OH2 TIP3 521 87.261 57.867 30.723 1.00 0.00 WT1 O ATOM 4640 H1 TIP3 521 86.426 57.404 30.656 1.00 0.00 WT1 H ATOM 4641 H2 TIP3 521 87.834 57.261 31.192 1.00 0.00 WT1 H ATOM 4642 OH2 TIP3 522 51.609 3.671 20.877 1.00 0.00 WT1 O ATOM 4643 H1 TIP3 522 52.231 2.964 20.708 1.00 0.00 WT1 H ATOM 4644 H2 TIP3 522 52.148 4.461 20.914 1.00 0.00 WT1 H ATOM 4645 OH2 TIP3 523 80.490 35.797 41.871 1.00 0.00 WT1 O ATOM 4646 H1 TIP3 523 79.866 35.241 42.336 1.00 0.00 WT1 H ATOM 4647 H2 TIP3 523 81.196 35.945 42.501 1.00 0.00 WT1 H ATOM 4648 OH2 TIP3 524 24.704 90.698 50.592 1.00 0.00 WT1 O ATOM 4649 H1 TIP3 524 24.028 90.061 50.360 1.00 0.00 WT1 H ATOM 4650 H2 TIP3 524 24.371 91.533 50.260 1.00 0.00 WT1 H ATOM 4651 OH2 TIP3 525 51.421 74.852 60.333 1.00 0.00 WT1 O ATOM 4652 H1 TIP3 525 50.757 74.277 59.953 1.00 0.00 WT1 H ATOM 4653 H2 TIP3 525 52.094 74.922 59.656 1.00 0.00 WT1 H ATOM 4654 OH2 TIP3 526 74.991 40.364 14.353 1.00 0.00 WT1 O ATOM 4655 H1 TIP3 526 74.338 40.267 13.661 1.00 0.00 WT1 H ATOM 4656 H2 TIP3 526 74.894 41.270 14.649 1.00 0.00 WT1 H ATOM 4657 OH2 TIP3 527 53.429 3.792 16.265 1.00 0.00 WT1 O ATOM 4658 H1 TIP3 527 52.698 3.503 16.811 1.00 0.00 WT1 H ATOM 4659 H2 TIP3 527 53.217 4.698 16.039 1.00 0.00 WT1 H ATOM 4660 OH2 TIP3 528 75.747 74.744 40.585 1.00 0.00 WT1 O ATOM 4661 H1 TIP3 528 75.872 74.878 39.646 1.00 0.00 WT1 H ATOM 4662 H2 TIP3 528 74.991 74.160 40.646 1.00 0.00 WT1 H ATOM 4663 OH2 TIP3 529 33.529 34.967 -10.718 1.00 0.00 WT1 O ATOM 4664 H1 TIP3 529 34.285 34.533 -10.322 1.00 0.00 WT1 H ATOM 4665 H2 TIP3 529 32.784 34.677 -10.192 1.00 0.00 WT1 H ATOM 4666 OH2 TIP3 530 20.720 40.890 -12.146 1.00 0.00 WT1 O ATOM 4667 H1 TIP3 530 20.209 41.593 -12.548 1.00 0.00 WT1 H ATOM 4668 H2 TIP3 530 20.489 40.927 -11.218 1.00 0.00 WT1 H ATOM 4669 OH2 TIP3 531 26.533 63.110 62.589 1.00 0.00 WT1 O ATOM 4670 H1 TIP3 531 25.829 62.738 63.121 1.00 0.00 WT1 H ATOM 4671 H2 TIP3 531 26.904 63.804 63.134 1.00 0.00 WT1 H ATOM 4672 OH2 TIP3 532 83.799 62.895 30.355 1.00 0.00 WT1 O ATOM 4673 H1 TIP3 532 84.164 62.277 29.721 1.00 0.00 WT1 H ATOM 4674 H2 TIP3 532 83.064 62.427 30.751 1.00 0.00 WT1 H ATOM 4675 OH2 TIP3 533 22.671 39.280 -10.396 1.00 0.00 WT1 O ATOM 4676 H1 TIP3 533 21.909 39.815 -10.617 1.00 0.00 WT1 H ATOM 4677 H2 TIP3 533 23.270 39.885 -9.958 1.00 0.00 WT1 H ATOM 4678 OH2 TIP3 534 42.818 16.445 17.284 1.00 0.00 WT1 O ATOM 4679 H1 TIP3 534 43.587 16.721 16.786 1.00 0.00 WT1 H ATOM 4680 H2 TIP3 534 42.689 17.140 17.930 1.00 0.00 WT1 H ATOM 4681 OH2 TIP3 535 41.359 7.860 15.631 1.00 0.00 WT1 O ATOM 4682 H1 TIP3 535 41.479 8.370 16.432 1.00 0.00 WT1 H ATOM 4683 H2 TIP3 535 41.670 6.984 15.856 1.00 0.00 WT1 H ATOM 4684 OH2 TIP3 536 51.143 19.892 55.833 1.00 0.00 WT1 O ATOM 4685 H1 TIP3 536 50.259 20.257 55.817 1.00 0.00 WT1 H ATOM 4686 H2 TIP3 536 51.161 19.274 55.101 1.00 0.00 WT1 H ATOM 4687 OH2 TIP3 537 47.384 43.555 -6.446 1.00 0.00 WT1 O ATOM 4688 H1 TIP3 537 47.039 44.040 -7.196 1.00 0.00 WT1 H ATOM 4689 H2 TIP3 537 46.774 42.826 -6.333 1.00 0.00 WT1 H ATOM 4690 OH2 TIP3 538 69.853 96.049 60.709 1.00 0.00 WT1 O ATOM 4691 H1 TIP3 538 69.151 95.401 60.766 1.00 0.00 WT1 H ATOM 4692 H2 TIP3 538 70.596 95.566 60.344 1.00 0.00 WT1 H ATOM 4693 OH2 TIP3 539 84.394 43.509 33.810 1.00 0.00 WT1 O ATOM 4694 H1 TIP3 539 84.358 43.424 34.763 1.00 0.00 WT1 H ATOM 4695 H2 TIP3 539 83.787 42.843 33.487 1.00 0.00 WT1 H ATOM 4696 OH2 TIP3 540 72.648 27.784 17.892 1.00 0.00 WT1 O ATOM 4697 H1 TIP3 540 72.968 28.658 17.667 1.00 0.00 WT1 H ATOM 4698 H2 TIP3 540 71.978 27.938 18.557 1.00 0.00 WT1 H ATOM 4699 OH2 TIP3 541 45.697 20.386 -14.264 1.00 0.00 WT1 O ATOM 4700 H1 TIP3 541 46.252 21.107 -13.966 1.00 0.00 WT1 H ATOM 4701 H2 TIP3 541 45.496 20.599 -15.176 1.00 0.00 WT1 H ATOM 4702 OH2 TIP3 542 65.825 71.282 16.815 1.00 0.00 WT1 O ATOM 4703 H1 TIP3 542 64.907 71.297 17.087 1.00 0.00 WT1 H ATOM 4704 H2 TIP3 542 66.206 70.548 17.297 1.00 0.00 WT1 H ATOM 4705 OH2 TIP3 543 30.715 72.217 61.459 1.00 0.00 WT1 O ATOM 4706 H1 TIP3 543 30.101 71.666 61.944 1.00 0.00 WT1 H ATOM 4707 H2 TIP3 543 30.910 71.718 60.666 1.00 0.00 WT1 H ATOM 4708 OH2 TIP3 544 55.239 31.748 10.549 1.00 0.00 WT1 O ATOM 4709 H1 TIP3 544 54.947 32.033 11.415 1.00 0.00 WT1 H ATOM 4710 H2 TIP3 544 54.441 31.451 10.113 1.00 0.00 WT1 H ATOM 4711 OH2 TIP3 546 56.880 91.058 64.465 1.00 0.00 WT1 O ATOM 4712 H1 TIP3 546 57.235 90.803 65.317 1.00 0.00 WT1 H ATOM 4713 H2 TIP3 546 57.491 90.684 63.829 1.00 0.00 WT1 H ATOM 4714 OH2 TIP3 547 90.934 12.702 35.278 1.00 0.00 WT1 O ATOM 4715 H1 TIP3 547 90.241 12.042 35.286 1.00 0.00 WT1 H ATOM 4716 H2 TIP3 547 90.476 13.529 35.125 1.00 0.00 WT1 H ATOM 4717 OH2 TIP3 549 38.914 0.338 -14.246 1.00 0.00 WT1 O ATOM 4718 H1 TIP3 549 39.151 1.220 -13.958 1.00 0.00 WT1 H ATOM 4719 H2 TIP3 549 39.035 -0.209 -13.470 1.00 0.00 WT1 H ATOM 4720 OH2 TIP3 550 36.664 15.981 -19.789 1.00 0.00 WT1 O ATOM 4721 H1 TIP3 550 37.176 16.518 -19.185 1.00 0.00 WT1 H ATOM 4722 H2 TIP3 550 35.756 16.112 -19.517 1.00 0.00 WT1 H ATOM 4723 OH2 TIP3 551 79.541 71.804 22.698 1.00 0.00 WT1 O ATOM 4724 H1 TIP3 551 80.390 71.362 22.709 1.00 0.00 WT1 H ATOM 4725 H2 TIP3 551 79.054 71.408 23.421 1.00 0.00 WT1 H ATOM 4726 OH2 TIP3 552 86.826 35.131 53.849 1.00 0.00 WT1 O ATOM 4727 H1 TIP3 552 87.282 34.455 53.348 1.00 0.00 WT1 H ATOM 4728 H2 TIP3 552 87.123 35.004 54.750 1.00 0.00 WT1 H ATOM 4729 OH2 TIP3 553 71.937 17.244 66.278 1.00 0.00 WT1 O ATOM 4730 H1 TIP3 553 71.039 16.974 66.090 1.00 0.00 WT1 H ATOM 4731 H2 TIP3 553 71.907 18.201 66.269 1.00 0.00 WT1 H ATOM 4732 OH2 TIP3 554 79.920 34.476 4.563 1.00 0.00 WT1 O ATOM 4733 H1 TIP3 554 80.541 33.763 4.711 1.00 0.00 WT1 H ATOM 4734 H2 TIP3 554 79.282 34.389 5.271 1.00 0.00 WT1 H ATOM 4735 OH2 TIP3 555 79.148 33.853 7.228 1.00 0.00 WT1 O ATOM 4736 H1 TIP3 555 78.649 33.552 7.988 1.00 0.00 WT1 H ATOM 4737 H2 TIP3 555 79.443 34.731 7.468 1.00 0.00 WT1 H ATOM 4738 OH2 TIP3 556 39.642 21.927 62.603 1.00 0.00 WT1 O ATOM 4739 H1 TIP3 556 40.066 21.082 62.457 1.00 0.00 WT1 H ATOM 4740 H2 TIP3 556 38.893 21.727 63.163 1.00 0.00 WT1 H ATOM 4741 OH2 TIP3 557 51.484 68.994 -6.013 1.00 0.00 WT1 O ATOM 4742 H1 TIP3 557 51.532 68.478 -5.207 1.00 0.00 WT1 H ATOM 4743 H2 TIP3 557 52.390 69.240 -6.195 1.00 0.00 WT1 H ATOM 4744 OH2 TIP3 558 82.883 19.229 -11.626 1.00 0.00 WT1 O ATOM 4745 H1 TIP3 558 82.555 18.383 -11.323 1.00 0.00 WT1 H ATOM 4746 H2 TIP3 558 82.778 19.811 -10.874 1.00 0.00 WT1 H ATOM 4747 OH2 TIP3 559 20.463 63.644 7.128 1.00 0.00 WT1 O ATOM 4748 H1 TIP3 559 20.669 62.986 7.793 1.00 0.00 WT1 H ATOM 4749 H2 TIP3 559 20.784 63.266 6.310 1.00 0.00 WT1 H ATOM 4750 OH2 TIP3 560 23.765 45.170 42.544 1.00 0.00 WT1 O ATOM 4751 H1 TIP3 560 23.321 46.017 42.571 1.00 0.00 WT1 H ATOM 4752 H2 TIP3 560 23.913 45.006 41.612 1.00 0.00 WT1 H ATOM 4753 OH2 TIP3 561 85.172 21.000 -17.785 1.00 0.00 WT1 O ATOM 4754 H1 TIP3 561 86.048 20.640 -17.646 1.00 0.00 WT1 H ATOM 4755 H2 TIP3 561 84.690 20.296 -18.220 1.00 0.00 WT1 H ATOM 4756 OH2 TIP3 562 68.513 68.811 22.898 1.00 0.00 WT1 O ATOM 4757 H1 TIP3 562 67.834 68.680 22.237 1.00 0.00 WT1 H ATOM 4758 H2 TIP3 562 69.209 69.281 22.438 1.00 0.00 WT1 H ATOM 4759 OH2 TIP3 563 38.821 69.238 12.362 1.00 0.00 WT1 O ATOM 4760 H1 TIP3 563 38.406 68.422 12.640 1.00 0.00 WT1 H ATOM 4761 H2 TIP3 563 39.504 69.394 13.014 1.00 0.00 WT1 H ATOM 4762 OH2 TIP3 564 84.402 28.666 58.868 1.00 0.00 WT1 O ATOM 4763 H1 TIP3 564 83.746 29.361 58.816 1.00 0.00 WT1 H ATOM 4764 H2 TIP3 564 83.931 27.873 58.611 1.00 0.00 WT1 H ATOM 4765 OH2 TIP3 565 64.085 16.620 30.506 1.00 0.00 WT1 O ATOM 4766 H1 TIP3 565 64.630 16.108 31.103 1.00 0.00 WT1 H ATOM 4767 H2 TIP3 565 63.517 17.133 31.080 1.00 0.00 WT1 H ATOM 4768 OH2 TIP3 567 77.944 33.367 31.827 1.00 0.00 WT1 O ATOM 4769 H1 TIP3 567 77.171 33.505 31.280 1.00 0.00 WT1 H ATOM 4770 H2 TIP3 567 77.703 32.643 32.405 1.00 0.00 WT1 H ATOM 4771 OH2 TIP3 568 41.915 29.975 -4.001 1.00 0.00 WT1 O ATOM 4772 H1 TIP3 568 42.661 29.479 -4.339 1.00 0.00 WT1 H ATOM 4773 H2 TIP3 568 41.819 29.677 -3.096 1.00 0.00 WT1 H ATOM 4774 OH2 TIP3 569 34.760 14.555 11.393 1.00 0.00 WT1 O ATOM 4775 H1 TIP3 569 35.678 14.549 11.124 1.00 0.00 WT1 H ATOM 4776 H2 TIP3 569 34.767 14.189 12.278 1.00 0.00 WT1 H ATOM 4777 OH2 TIP3 570 56.622 20.289 44.860 1.00 0.00 WT1 O ATOM 4778 H1 TIP3 570 57.088 21.092 44.627 1.00 0.00 WT1 H ATOM 4779 H2 TIP3 570 57.023 19.612 44.315 1.00 0.00 WT1 H ATOM 4780 OH2 TIP3 571 56.994 29.523 -8.749 1.00 0.00 WT1 O ATOM 4781 H1 TIP3 571 56.399 30.028 -8.195 1.00 0.00 WT1 H ATOM 4782 H2 TIP3 571 57.552 29.049 -8.133 1.00 0.00 WT1 H ATOM 4783 OH2 TIP3 572 23.106 3.001 -14.422 1.00 0.00 WT1 O ATOM 4784 H1 TIP3 572 22.269 2.630 -14.141 1.00 0.00 WT1 H ATOM 4785 H2 TIP3 572 22.892 3.891 -14.703 1.00 0.00 WT1 H ATOM 4786 OH2 TIP3 573 50.263 35.095 9.060 1.00 0.00 WT1 O ATOM 4787 H1 TIP3 573 50.863 35.372 8.368 1.00 0.00 WT1 H ATOM 4788 H2 TIP3 573 50.346 34.141 9.082 1.00 0.00 WT1 H ATOM 4789 OH2 TIP3 574 73.112 47.172 36.676 1.00 0.00 WT1 O ATOM 4790 H1 TIP3 574 73.990 47.109 36.298 1.00 0.00 WT1 H ATOM 4791 H2 TIP3 574 72.539 47.330 35.926 1.00 0.00 WT1 H ATOM 4792 OH2 TIP3 575 89.188 81.814 10.632 1.00 0.00 WT1 O ATOM 4793 H1 TIP3 575 88.862 82.427 11.291 1.00 0.00 WT1 H ATOM 4794 H2 TIP3 575 89.231 80.973 11.087 1.00 0.00 WT1 H ATOM 4795 OH2 TIP3 576 28.311 40.633 11.790 1.00 0.00 WT1 O ATOM 4796 H1 TIP3 576 29.224 40.814 12.011 1.00 0.00 WT1 H ATOM 4797 H2 TIP3 576 27.976 41.463 11.452 1.00 0.00 WT1 H ATOM 4798 OH2 TIP3 577 29.139 29.317 25.248 1.00 0.00 WT1 O ATOM 4799 H1 TIP3 577 28.869 28.430 25.489 1.00 0.00 WT1 H ATOM 4800 H2 TIP3 577 30.045 29.220 24.953 1.00 0.00 WT1 H ATOM 4801 OH2 TIP3 578 24.481 18.463 2.827 1.00 0.00 WT1 O ATOM 4802 H1 TIP3 578 23.855 18.844 2.211 1.00 0.00 WT1 H ATOM 4803 H2 TIP3 578 25.287 18.364 2.319 1.00 0.00 WT1 H ATOM 4804 OH2 TIP3 579 86.775 37.677 13.294 1.00 0.00 WT1 O ATOM 4805 H1 TIP3 579 86.047 37.588 13.909 1.00 0.00 WT1 H ATOM 4806 H2 TIP3 579 86.527 38.411 12.733 1.00 0.00 WT1 H ATOM 4807 OH2 TIP3 580 36.555 48.951 0.039 1.00 0.00 WT1 O ATOM 4808 H1 TIP3 580 36.816 48.381 -0.685 1.00 0.00 WT1 H ATOM 4809 H2 TIP3 580 36.908 49.810 -0.193 1.00 0.00 WT1 H ATOM 4810 OH2 TIP3 581 21.497 9.203 8.925 1.00 0.00 WT1 O ATOM 4811 H1 TIP3 581 22.352 9.045 8.524 1.00 0.00 WT1 H ATOM 4812 H2 TIP3 581 21.491 10.142 9.112 1.00 0.00 WT1 H ATOM 4813 OH2 TIP3 582 68.407 72.188 -18.371 1.00 0.00 WT1 O ATOM 4814 H1 TIP3 582 69.359 72.106 -18.310 1.00 0.00 WT1 H ATOM 4815 H2 TIP3 582 68.241 73.128 -18.294 1.00 0.00 WT1 H ATOM 4816 OH2 TIP3 583 20.948 32.715 14.683 1.00 0.00 WT1 O ATOM 4817 H1 TIP3 583 21.421 33.529 14.858 1.00 0.00 WT1 H ATOM 4818 H2 TIP3 583 20.717 32.380 15.549 1.00 0.00 WT1 H ATOM 4819 OH2 TIP3 584 53.616 10.186 -4.359 1.00 0.00 WT1 O ATOM 4820 H1 TIP3 584 54.548 10.402 -4.394 1.00 0.00 WT1 H ATOM 4821 H2 TIP3 584 53.439 9.755 -5.195 1.00 0.00 WT1 H ATOM 4822 OH2 TIP3 585 79.361 81.722 48.172 1.00 0.00 WT1 O ATOM 4823 H1 TIP3 585 79.419 82.658 47.977 1.00 0.00 WT1 H ATOM 4824 H2 TIP3 585 78.477 81.604 48.520 1.00 0.00 WT1 H ATOM 4825 OH2 TIP3 586 33.445 90.655 -12.407 1.00 0.00 WT1 O ATOM 4826 H1 TIP3 586 33.703 91.554 -12.201 1.00 0.00 WT1 H ATOM 4827 H2 TIP3 586 32.682 90.492 -11.853 1.00 0.00 WT1 H ATOM 4828 OH2 TIP3 587 22.027 84.746 40.148 1.00 0.00 WT1 O ATOM 4829 H1 TIP3 587 21.241 85.287 40.073 1.00 0.00 WT1 H ATOM 4830 H2 TIP3 587 21.802 83.932 39.697 1.00 0.00 WT1 H ATOM 4831 OH2 TIP3 588 36.319 70.702 -8.625 1.00 0.00 WT1 O ATOM 4832 H1 TIP3 588 36.993 70.139 -8.243 1.00 0.00 WT1 H ATOM 4833 H2 TIP3 588 35.604 70.104 -8.843 1.00 0.00 WT1 H ATOM 4834 OH2 TIP3 589 38.713 25.721 30.230 1.00 0.00 WT1 O ATOM 4835 H1 TIP3 589 39.617 25.771 30.542 1.00 0.00 WT1 H ATOM 4836 H2 TIP3 589 38.547 26.577 29.835 1.00 0.00 WT1 H ATOM 4837 OH2 TIP3 590 22.785 35.835 52.148 1.00 0.00 WT1 O ATOM 4838 H1 TIP3 590 23.595 35.552 51.724 1.00 0.00 WT1 H ATOM 4839 H2 TIP3 590 22.250 36.184 51.436 1.00 0.00 WT1 H ATOM 4840 OH2 TIP3 591 86.795 75.378 19.311 1.00 0.00 WT1 O ATOM 4841 H1 TIP3 591 87.268 75.626 20.106 1.00 0.00 WT1 H ATOM 4842 H2 TIP3 591 85.911 75.720 19.441 1.00 0.00 WT1 H ATOM 4843 OH2 TIP3 592 24.639 89.750 64.810 1.00 0.00 WT1 O ATOM 4844 H1 TIP3 592 24.371 89.729 63.891 1.00 0.00 WT1 H ATOM 4845 H2 TIP3 592 25.518 90.128 64.795 1.00 0.00 WT1 H ATOM 4846 OH2 TIP3 593 38.456 22.909 16.065 1.00 0.00 WT1 O ATOM 4847 H1 TIP3 593 38.609 22.575 16.949 1.00 0.00 WT1 H ATOM 4848 H2 TIP3 593 38.857 23.778 16.064 1.00 0.00 WT1 H ATOM 4849 OH2 TIP3 594 70.895 72.760 5.822 1.00 0.00 WT1 O ATOM 4850 H1 TIP3 594 70.927 72.545 4.890 1.00 0.00 WT1 H ATOM 4851 H2 TIP3 594 70.151 73.356 5.905 1.00 0.00 WT1 H ATOM 4852 OH2 TIP3 595 66.236 18.629 38.250 1.00 0.00 WT1 O ATOM 4853 H1 TIP3 595 65.536 18.147 37.810 1.00 0.00 WT1 H ATOM 4854 H2 TIP3 595 66.490 19.308 37.625 1.00 0.00 WT1 H ATOM 4855 OH2 TIP3 596 52.236 43.970 -7.224 1.00 0.00 WT1 O ATOM 4856 H1 TIP3 596 53.077 44.408 -7.352 1.00 0.00 WT1 H ATOM 4857 H2 TIP3 596 51.712 44.598 -6.726 1.00 0.00 WT1 H ATOM 4858 OH2 TIP3 597 68.553 81.367 -12.363 1.00 0.00 WT1 O ATOM 4859 H1 TIP3 597 69.073 81.666 -13.109 1.00 0.00 WT1 H ATOM 4860 H2 TIP3 597 68.165 80.542 -12.656 1.00 0.00 WT1 H ATOM 4861 OH2 TIP3 598 32.724 13.623 -13.924 1.00 0.00 WT1 O ATOM 4862 H1 TIP3 598 32.177 12.868 -14.143 1.00 0.00 WT1 H ATOM 4863 H2 TIP3 598 32.844 13.564 -12.976 1.00 0.00 WT1 H ATOM 4864 OH2 TIP3 599 80.857 49.932 40.574 1.00 0.00 WT1 O ATOM 4865 H1 TIP3 599 80.566 49.027 40.464 1.00 0.00 WT1 H ATOM 4866 H2 TIP3 599 81.758 49.935 40.250 1.00 0.00 WT1 H ATOM 4867 OH2 TIP3 600 48.600 30.176 50.683 1.00 0.00 WT1 O ATOM 4868 H1 TIP3 600 47.841 30.701 50.938 1.00 0.00 WT1 H ATOM 4869 H2 TIP3 600 48.266 29.581 50.012 1.00 0.00 WT1 H ATOM 4870 OH2 TIP3 602 26.203 92.974 47.108 1.00 0.00 WT1 O ATOM 4871 H1 TIP3 602 27.142 92.790 47.116 1.00 0.00 WT1 H ATOM 4872 H2 TIP3 602 25.863 92.453 46.379 1.00 0.00 WT1 H ATOM 4873 OH2 TIP3 603 35.732 17.800 35.681 1.00 0.00 WT1 O ATOM 4874 H1 TIP3 603 36.036 18.430 36.335 1.00 0.00 WT1 H ATOM 4875 H2 TIP3 603 34.924 18.182 35.337 1.00 0.00 WT1 H ATOM 4876 OH2 TIP3 604 21.420 67.895 31.724 1.00 0.00 WT1 O ATOM 4877 H1 TIP3 604 20.527 67.702 31.438 1.00 0.00 WT1 H ATOM 4878 H2 TIP3 604 21.928 67.937 30.914 1.00 0.00 WT1 H ATOM 4879 OH2 TIP3 605 52.018 13.913 8.774 1.00 0.00 WT1 O ATOM 4880 H1 TIP3 605 51.152 14.172 9.091 1.00 0.00 WT1 H ATOM 4881 H2 TIP3 605 52.105 14.350 7.927 1.00 0.00 WT1 H ATOM 4882 OH2 TIP3 606 44.388 3.141 59.107 1.00 0.00 WT1 O ATOM 4883 H1 TIP3 606 44.930 3.458 58.384 1.00 0.00 WT1 H ATOM 4884 H2 TIP3 606 44.968 2.567 59.608 1.00 0.00 WT1 H ATOM 4885 OH2 TIP3 607 72.301 79.899 59.653 1.00 0.00 WT1 O ATOM 4886 H1 TIP3 607 71.609 79.880 60.314 1.00 0.00 WT1 H ATOM 4887 H2 TIP3 607 73.075 79.564 60.106 1.00 0.00 WT1 H ATOM 4888 OH2 TIP3 608 30.096 68.216 -7.559 1.00 0.00 WT1 O ATOM 4889 H1 TIP3 608 30.967 68.602 -7.658 1.00 0.00 WT1 H ATOM 4890 H2 TIP3 608 29.672 68.362 -8.404 1.00 0.00 WT1 H ATOM 4891 OH2 TIP3 609 48.882 11.539 46.661 1.00 0.00 WT1 O ATOM 4892 H1 TIP3 609 49.263 11.297 47.505 1.00 0.00 WT1 H ATOM 4893 H2 TIP3 609 49.075 10.797 46.089 1.00 0.00 WT1 H ATOM 4894 OH2 TIP3 610 22.657 28.923 31.816 1.00 0.00 WT1 O ATOM 4895 H1 TIP3 610 22.222 29.125 30.987 1.00 0.00 WT1 H ATOM 4896 H2 TIP3 610 23.530 29.304 31.728 1.00 0.00 WT1 H ATOM 4897 OH2 TIP3 611 38.265 16.192 14.416 1.00 0.00 WT1 O ATOM 4898 H1 TIP3 611 38.260 16.801 15.155 1.00 0.00 WT1 H ATOM 4899 H2 TIP3 611 39.079 15.700 14.517 1.00 0.00 WT1 H ATOM 4900 OH2 TIP3 612 88.742 90.366 33.324 1.00 0.00 WT1 O ATOM 4901 H1 TIP3 612 88.900 90.102 32.417 1.00 0.00 WT1 H ATOM 4902 H2 TIP3 612 88.337 89.600 33.730 1.00 0.00 WT1 H ATOM 4903 OH2 TIP3 613 67.119 24.720 18.211 1.00 0.00 WT1 O ATOM 4904 H1 TIP3 613 66.484 25.435 18.181 1.00 0.00 WT1 H ATOM 4905 H2 TIP3 613 66.595 23.942 18.401 1.00 0.00 WT1 H ATOM 4906 OH2 TIP3 614 67.683 38.037 50.316 1.00 0.00 WT1 O ATOM 4907 H1 TIP3 614 66.986 38.517 50.764 1.00 0.00 WT1 H ATOM 4908 H2 TIP3 614 68.154 38.707 49.819 1.00 0.00 WT1 H ATOM 4909 OH2 TIP3 615 78.395 28.518 41.767 1.00 0.00 WT1 O ATOM 4910 H1 TIP3 615 78.201 28.144 40.908 1.00 0.00 WT1 H ATOM 4911 H2 TIP3 615 77.571 28.450 42.250 1.00 0.00 WT1 H ATOM 4912 OH2 TIP3 616 53.428 81.447 24.506 1.00 0.00 WT1 O ATOM 4913 H1 TIP3 616 54.175 80.866 24.650 1.00 0.00 WT1 H ATOM 4914 H2 TIP3 616 52.661 80.886 24.620 1.00 0.00 WT1 H ATOM 4915 OH2 TIP3 617 84.602 20.469 -9.096 1.00 0.00 WT1 O ATOM 4916 H1 TIP3 617 85.256 19.817 -9.349 1.00 0.00 WT1 H ATOM 4917 H2 TIP3 617 84.184 20.100 -8.317 1.00 0.00 WT1 H ATOM 4918 OH2 TIP3 618 24.595 56.379 1.540 1.00 0.00 WT1 O ATOM 4919 H1 TIP3 618 24.009 55.629 1.641 1.00 0.00 WT1 H ATOM 4920 H2 TIP3 618 25.420 56.095 1.933 1.00 0.00 WT1 H ATOM 4921 OH2 TIP3 619 23.665 26.678 10.222 1.00 0.00 WT1 O ATOM 4922 H1 TIP3 619 23.117 27.279 10.726 1.00 0.00 WT1 H ATOM 4923 H2 TIP3 619 24.561 26.970 10.393 1.00 0.00 WT1 H ATOM 4924 OH2 TIP3 620 78.475 68.014 -2.178 1.00 0.00 WT1 O ATOM 4925 H1 TIP3 620 79.166 67.980 -2.839 1.00 0.00 WT1 H ATOM 4926 H2 TIP3 620 78.045 67.161 -2.237 1.00 0.00 WT1 H ATOM 4927 OH2 TIP3 621 60.308 0.215 12.672 1.00 0.00 WT1 O ATOM 4928 H1 TIP3 621 61.218 0.454 12.498 1.00 0.00 WT1 H ATOM 4929 H2 TIP3 621 60.261 0.126 13.624 1.00 0.00 WT1 H ATOM 4930 OH2 TIP3 622 58.679 79.163 30.598 1.00 0.00 WT1 O ATOM 4931 H1 TIP3 622 58.873 78.792 31.459 1.00 0.00 WT1 H ATOM 4932 H2 TIP3 622 58.617 80.106 30.752 1.00 0.00 WT1 H ATOM 4933 OH2 TIP3 623 40.271 71.707 10.139 1.00 0.00 WT1 O ATOM 4934 H1 TIP3 623 40.618 71.181 10.859 1.00 0.00 WT1 H ATOM 4935 H2 TIP3 623 40.503 71.216 9.350 1.00 0.00 WT1 H ATOM 4936 OH2 TIP3 624 50.075 42.510 5.943 1.00 0.00 WT1 O ATOM 4937 H1 TIP3 624 50.726 42.198 6.571 1.00 0.00 WT1 H ATOM 4938 H2 TIP3 624 49.603 43.201 6.409 1.00 0.00 WT1 H ATOM 4939 OH2 TIP3 625 23.934 19.045 63.868 1.00 0.00 WT1 O ATOM 4940 H1 TIP3 625 24.375 19.518 64.574 1.00 0.00 WT1 H ATOM 4941 H2 TIP3 625 24.073 19.588 63.092 1.00 0.00 WT1 H ATOM 4942 OH2 TIP3 626 28.484 1.853 24.985 1.00 0.00 WT1 O ATOM 4943 H1 TIP3 626 27.780 1.738 24.347 1.00 0.00 WT1 H ATOM 4944 H2 TIP3 626 28.269 1.244 25.692 1.00 0.00 WT1 H ATOM 4945 OH2 TIP3 627 53.454 25.937 50.446 1.00 0.00 WT1 O ATOM 4946 H1 TIP3 627 52.604 26.356 50.580 1.00 0.00 WT1 H ATOM 4947 H2 TIP3 627 53.348 25.432 49.639 1.00 0.00 WT1 H ATOM 4948 OH2 TIP3 628 59.180 27.531 33.996 1.00 0.00 WT1 O ATOM 4949 H1 TIP3 628 58.413 27.196 34.461 1.00 0.00 WT1 H ATOM 4950 H2 TIP3 628 59.273 26.952 33.239 1.00 0.00 WT1 H ATOM 4951 OH2 TIP3 629 72.449 93.978 52.261 1.00 0.00 WT1 O ATOM 4952 H1 TIP3 629 71.826 94.637 51.955 1.00 0.00 WT1 H ATOM 4953 H2 TIP3 629 72.748 93.542 51.463 1.00 0.00 WT1 H ATOM 4954 OH2 TIP3 630 22.641 43.639 -4.011 1.00 0.00 WT1 O ATOM 4955 H1 TIP3 630 22.090 44.111 -3.387 1.00 0.00 WT1 H ATOM 4956 H2 TIP3 630 23.120 44.325 -4.475 1.00 0.00 WT1 H ATOM 4957 OH2 TIP3 631 45.730 26.972 -6.262 1.00 0.00 WT1 O ATOM 4958 H1 TIP3 631 46.400 27.019 -6.944 1.00 0.00 WT1 H ATOM 4959 H2 TIP3 631 45.348 26.100 -6.360 1.00 0.00 WT1 H ATOM 4960 OH2 TIP3 632 54.959 81.403 65.297 1.00 0.00 WT1 O ATOM 4961 H1 TIP3 632 55.908 81.357 65.414 1.00 0.00 WT1 H ATOM 4962 H2 TIP3 632 54.626 81.687 66.147 1.00 0.00 WT1 H ATOM 4963 OH2 TIP3 633 70.143 67.952 40.289 1.00 0.00 WT1 O ATOM 4964 H1 TIP3 633 69.694 67.923 41.134 1.00 0.00 WT1 H ATOM 4965 H2 TIP3 633 69.540 67.523 39.682 1.00 0.00 WT1 H ATOM 4966 OH2 TIP3 634 36.097 94.694 13.510 1.00 0.00 WT1 O ATOM 4967 H1 TIP3 634 36.059 95.127 14.363 1.00 0.00 WT1 H ATOM 4968 H2 TIP3 634 37.007 94.409 13.425 1.00 0.00 WT1 H ATOM 4969 OH2 TIP3 635 88.229 40.074 34.143 1.00 0.00 WT1 O ATOM 4970 H1 TIP3 635 89.167 40.234 34.245 1.00 0.00 WT1 H ATOM 4971 H2 TIP3 635 88.109 39.941 33.203 1.00 0.00 WT1 H ATOM 4972 OH2 TIP3 636 32.718 47.376 44.479 1.00 0.00 WT1 O ATOM 4973 H1 TIP3 636 32.250 46.657 44.903 1.00 0.00 WT1 H ATOM 4974 H2 TIP3 636 32.061 48.065 44.380 1.00 0.00 WT1 H ATOM 4975 OH2 TIP3 637 60.765 29.033 46.059 1.00 0.00 WT1 O ATOM 4976 H1 TIP3 637 59.955 29.537 45.974 1.00 0.00 WT1 H ATOM 4977 H2 TIP3 637 60.701 28.619 46.919 1.00 0.00 WT1 H ATOM 4978 OH2 TIP3 638 57.974 35.028 57.479 1.00 0.00 WT1 O ATOM 4979 H1 TIP3 638 57.189 34.813 56.975 1.00 0.00 WT1 H ATOM 4980 H2 TIP3 638 57.654 35.185 58.367 1.00 0.00 WT1 H ATOM 4981 OH2 TIP3 639 86.155 27.484 7.921 1.00 0.00 WT1 O ATOM 4982 H1 TIP3 639 86.154 28.387 8.241 1.00 0.00 WT1 H ATOM 4983 H2 TIP3 639 86.537 27.541 7.045 1.00 0.00 WT1 H ATOM 4984 OH2 TIP3 640 50.373 29.184 52.914 1.00 0.00 WT1 O ATOM 4985 H1 TIP3 640 50.078 28.374 53.331 1.00 0.00 WT1 H ATOM 4986 H2 TIP3 640 49.798 29.287 52.156 1.00 0.00 WT1 H ATOM 4987 OH2 TIP3 641 61.942 49.177 64.542 1.00 0.00 WT1 O ATOM 4988 H1 TIP3 641 62.240 48.291 64.746 1.00 0.00 WT1 H ATOM 4989 H2 TIP3 641 61.472 49.088 63.713 1.00 0.00 WT1 H ATOM 4990 OH2 TIP3 642 44.930 18.917 -11.877 1.00 0.00 WT1 O ATOM 4991 H1 TIP3 642 44.395 19.402 -11.248 1.00 0.00 WT1 H ATOM 4992 H2 TIP3 642 45.011 19.506 -12.627 1.00 0.00 WT1 H ATOM 4993 OH2 TIP3 643 89.878 37.829 -13.412 1.00 0.00 WT1 O ATOM 4994 H1 TIP3 643 90.389 38.626 -13.547 1.00 0.00 WT1 H ATOM 4995 H2 TIP3 643 90.024 37.602 -12.494 1.00 0.00 WT1 H ATOM 4996 OH2 TIP3 644 80.862 2.043 38.299 1.00 0.00 WT1 O ATOM 4997 H1 TIP3 644 79.973 1.689 38.283 1.00 0.00 WT1 H ATOM 4998 H2 TIP3 644 81.419 1.287 38.484 1.00 0.00 WT1 H ATOM 4999 OH2 TIP3 645 75.953 29.708 8.414 1.00 0.00 WT1 O ATOM 5000 H1 TIP3 645 75.453 29.060 7.918 1.00 0.00 WT1 H ATOM 5001 H2 TIP3 645 76.167 29.268 9.237 1.00 0.00 WT1 H ATOM 5002 OH2 TIP3 646 81.214 58.204 14.648 1.00 0.00 WT1 O ATOM 5003 H1 TIP3 646 82.023 58.713 14.601 1.00 0.00 WT1 H ATOM 5004 H2 TIP3 646 81.470 57.385 15.072 1.00 0.00 WT1 H ATOM 5005 OH2 TIP3 647 66.976 32.204 -2.302 1.00 0.00 WT1 O ATOM 5006 H1 TIP3 647 66.020 32.219 -2.334 1.00 0.00 WT1 H ATOM 5007 H2 TIP3 647 67.190 32.425 -1.395 1.00 0.00 WT1 H ATOM 5008 OH2 TIP3 648 45.394 50.553 -8.518 1.00 0.00 WT1 O ATOM 5009 H1 TIP3 648 45.452 51.257 -7.872 1.00 0.00 WT1 H ATOM 5010 H2 TIP3 648 46.238 50.105 -8.461 1.00 0.00 WT1 H ATOM 5011 OH2 TIP3 649 73.083 55.953 25.409 1.00 0.00 WT1 O ATOM 5012 H1 TIP3 649 73.273 55.042 25.182 1.00 0.00 WT1 H ATOM 5013 H2 TIP3 649 72.134 55.976 25.535 1.00 0.00 WT1 H ATOM 5014 OH2 TIP3 650 44.024 40.347 22.223 1.00 0.00 WT1 O ATOM 5015 H1 TIP3 650 44.219 39.850 21.429 1.00 0.00 WT1 H ATOM 5016 H2 TIP3 650 44.804 40.246 22.767 1.00 0.00 WT1 H ATOM 5017 OH2 TIP3 651 29.037 8.899 35.353 1.00 0.00 WT1 O ATOM 5018 H1 TIP3 651 29.105 8.329 36.119 1.00 0.00 WT1 H ATOM 5019 H2 TIP3 651 28.119 9.171 35.338 1.00 0.00 WT1 H ATOM 5020 OH2 TIP3 652 56.694 89.633 13.045 1.00 0.00 WT1 O ATOM 5021 H1 TIP3 652 57.412 89.431 13.644 1.00 0.00 WT1 H ATOM 5022 H2 TIP3 652 56.583 90.581 13.113 1.00 0.00 WT1 H ATOM 5023 OH2 TIP3 653 28.378 12.123 9.714 1.00 0.00 WT1 O ATOM 5024 H1 TIP3 653 28.455 12.679 8.939 1.00 0.00 WT1 H ATOM 5025 H2 TIP3 653 28.825 11.312 9.473 1.00 0.00 WT1 H ATOM 5026 OH2 TIP3 654 34.388 86.121 30.173 1.00 0.00 WT1 O ATOM 5027 H1 TIP3 654 34.086 85.454 30.790 1.00 0.00 WT1 H ATOM 5028 H2 TIP3 654 35.211 86.438 30.546 1.00 0.00 WT1 H ATOM 5029 OH2 TIP3 655 31.555 34.560 23.963 1.00 0.00 WT1 O ATOM 5030 H1 TIP3 655 31.208 33.668 23.944 1.00 0.00 WT1 H ATOM 5031 H2 TIP3 655 31.470 34.870 23.061 1.00 0.00 WT1 H ATOM 5032 OH2 TIP3 656 79.793 17.254 62.244 1.00 0.00 WT1 O ATOM 5033 H1 TIP3 656 80.452 16.736 61.781 1.00 0.00 WT1 H ATOM 5034 H2 TIP3 656 79.682 18.038 61.707 1.00 0.00 WT1 H ATOM 5035 OH2 TIP3 657 35.063 24.850 -17.191 1.00 0.00 WT1 O ATOM 5036 H1 TIP3 657 34.303 25.210 -17.648 1.00 0.00 WT1 H ATOM 5037 H2 TIP3 657 35.618 24.500 -17.888 1.00 0.00 WT1 H ATOM 5038 OH2 TIP3 658 32.050 49.472 0.140 1.00 0.00 WT1 O ATOM 5039 H1 TIP3 658 32.782 48.855 0.149 1.00 0.00 WT1 H ATOM 5040 H2 TIP3 658 31.284 48.934 -0.059 1.00 0.00 WT1 H ATOM 5041 OH2 TIP3 659 23.314 52.693 53.960 1.00 0.00 WT1 O ATOM 5042 H1 TIP3 659 23.483 51.988 54.586 1.00 0.00 WT1 H ATOM 5043 H2 TIP3 659 22.379 52.875 54.051 1.00 0.00 WT1 H ATOM 5044 OH2 TIP3 660 81.715 70.090 30.134 1.00 0.00 WT1 O ATOM 5045 H1 TIP3 660 81.718 69.197 30.479 1.00 0.00 WT1 H ATOM 5046 H2 TIP3 660 81.955 69.991 29.212 1.00 0.00 WT1 H ATOM 5047 OH2 TIP3 661 27.990 74.986 13.902 1.00 0.00 WT1 O ATOM 5048 H1 TIP3 661 28.483 74.223 14.204 1.00 0.00 WT1 H ATOM 5049 H2 TIP3 661 27.239 75.036 14.494 1.00 0.00 WT1 H ATOM 5050 OH2 TIP3 662 40.177 52.030 10.852 1.00 0.00 WT1 O ATOM 5051 H1 TIP3 662 41.019 51.773 11.227 1.00 0.00 WT1 H ATOM 5052 H2 TIP3 662 39.821 52.666 11.473 1.00 0.00 WT1 H ATOM 5053 OH2 TIP3 663 64.305 21.782 66.234 1.00 0.00 WT1 O ATOM 5054 H1 TIP3 663 65.244 21.770 66.418 1.00 0.00 WT1 H ATOM 5055 H2 TIP3 663 64.205 21.234 65.456 1.00 0.00 WT1 H ATOM 5056 OH2 TIP3 664 54.925 23.109 33.759 1.00 0.00 WT1 O ATOM 5057 H1 TIP3 664 53.977 23.233 33.710 1.00 0.00 WT1 H ATOM 5058 H2 TIP3 664 55.089 22.310 33.258 1.00 0.00 WT1 H ATOM 5059 OH2 TIP3 665 46.545 2.438 -1.320 1.00 0.00 WT1 O ATOM 5060 H1 TIP3 665 46.366 1.596 -0.901 1.00 0.00 WT1 H ATOM 5061 H2 TIP3 665 45.815 2.998 -1.055 1.00 0.00 WT1 H ATOM 5062 OH2 TIP3 666 74.104 51.478 58.490 1.00 0.00 WT1 O ATOM 5063 H1 TIP3 666 73.475 52.199 58.532 1.00 0.00 WT1 H ATOM 5064 H2 TIP3 666 74.767 51.774 57.866 1.00 0.00 WT1 H ATOM 5065 OH2 TIP3 667 53.496 51.440 61.240 1.00 0.00 WT1 O ATOM 5066 H1 TIP3 667 53.088 51.797 60.452 1.00 0.00 WT1 H ATOM 5067 H2 TIP3 667 53.119 51.950 61.958 1.00 0.00 WT1 H ATOM 5068 OH2 TIP3 668 64.443 22.639 54.147 1.00 0.00 WT1 O ATOM 5069 H1 TIP3 668 65.002 23.164 53.575 1.00 0.00 WT1 H ATOM 5070 H2 TIP3 668 63.592 22.629 53.708 1.00 0.00 WT1 H ATOM 5071 OH2 TIP3 669 23.724 78.929 40.923 1.00 0.00 WT1 O ATOM 5072 H1 TIP3 669 23.212 78.131 40.791 1.00 0.00 WT1 H ATOM 5073 H2 TIP3 669 24.635 78.638 40.884 1.00 0.00 WT1 H ATOM 5074 OH2 TIP3 670 80.014 54.972 28.125 1.00 0.00 WT1 O ATOM 5075 H1 TIP3 670 79.651 55.632 27.534 1.00 0.00 WT1 H ATOM 5076 H2 TIP3 670 80.799 55.381 28.489 1.00 0.00 WT1 H ATOM 5077 OH2 TIP3 671 72.920 70.286 26.812 1.00 0.00 WT1 O ATOM 5078 H1 TIP3 671 72.287 70.320 27.529 1.00 0.00 WT1 H ATOM 5079 H2 TIP3 671 72.911 71.169 26.442 1.00 0.00 WT1 H ATOM 5080 OH2 TIP3 672 73.523 27.635 8.647 1.00 0.00 WT1 O ATOM 5081 H1 TIP3 672 73.067 26.795 8.699 1.00 0.00 WT1 H ATOM 5082 H2 TIP3 672 73.515 27.855 7.715 1.00 0.00 WT1 H ATOM 5083 OH2 TIP3 673 20.821 80.325 62.479 1.00 0.00 WT1 O ATOM 5084 H1 TIP3 673 20.032 79.794 62.368 1.00 0.00 WT1 H ATOM 5085 H2 TIP3 673 21.214 80.005 63.291 1.00 0.00 WT1 H ATOM 5086 OH2 TIP3 674 72.289 91.392 38.198 1.00 0.00 WT1 O ATOM 5087 H1 TIP3 674 72.188 90.988 39.060 1.00 0.00 WT1 H ATOM 5088 H2 TIP3 674 71.527 91.092 37.702 1.00 0.00 WT1 H ATOM 5089 OH2 TIP3 675 84.282 28.663 44.903 1.00 0.00 WT1 O ATOM 5090 H1 TIP3 675 84.859 29.105 44.279 1.00 0.00 WT1 H ATOM 5091 H2 TIP3 675 84.871 28.333 45.581 1.00 0.00 WT1 H ATOM 5092 OH2 TIP3 676 37.696 7.075 -8.530 1.00 0.00 WT1 O ATOM 5093 H1 TIP3 676 38.326 6.605 -7.983 1.00 0.00 WT1 H ATOM 5094 H2 TIP3 676 38.234 7.532 -9.177 1.00 0.00 WT1 H ATOM 5095 OH2 TIP3 677 81.454 47.205 2.902 1.00 0.00 WT1 O ATOM 5096 H1 TIP3 677 81.670 46.335 3.238 1.00 0.00 WT1 H ATOM 5097 H2 TIP3 677 81.880 47.810 3.510 1.00 0.00 WT1 H ATOM 5098 OH2 TIP3 679 79.365 42.190 21.045 1.00 0.00 WT1 O ATOM 5099 H1 TIP3 679 80.022 42.785 21.406 1.00 0.00 WT1 H ATOM 5100 H2 TIP3 679 78.664 42.183 21.697 1.00 0.00 WT1 H ATOM 5101 OH2 TIP3 680 69.638 21.397 15.505 1.00 0.00 WT1 O ATOM 5102 H1 TIP3 680 69.685 20.681 14.870 1.00 0.00 WT1 H ATOM 5103 H2 TIP3 680 68.721 21.670 15.491 1.00 0.00 WT1 H ATOM 5104 OH2 TIP3 681 54.934 70.062 40.301 1.00 0.00 WT1 O ATOM 5105 H1 TIP3 681 54.597 69.709 41.125 1.00 0.00 WT1 H ATOM 5106 H2 TIP3 681 54.163 70.137 39.739 1.00 0.00 WT1 H ATOM 5107 OH2 TIP3 682 46.746 88.413 6.544 1.00 0.00 WT1 O ATOM 5108 H1 TIP3 682 46.726 88.931 5.739 1.00 0.00 WT1 H ATOM 5109 H2 TIP3 682 45.934 88.641 6.997 1.00 0.00 WT1 H ATOM 5110 OH2 TIP3 683 23.033 48.339 -0.177 1.00 0.00 WT1 O ATOM 5111 H1 TIP3 683 22.295 48.200 0.417 1.00 0.00 WT1 H ATOM 5112 H2 TIP3 683 23.630 47.614 0.009 1.00 0.00 WT1 H ATOM 5113 OH2 TIP3 684 87.384 11.039 -0.229 1.00 0.00 WT1 O ATOM 5114 H1 TIP3 684 87.924 10.527 -0.831 1.00 0.00 WT1 H ATOM 5115 H2 TIP3 684 86.493 10.724 -0.379 1.00 0.00 WT1 H ATOM 5116 OH2 TIP3 685 84.572 73.839 52.415 1.00 0.00 WT1 O ATOM 5117 H1 TIP3 685 84.124 74.055 53.233 1.00 0.00 WT1 H ATOM 5118 H2 TIP3 685 83.916 73.992 51.735 1.00 0.00 WT1 H ATOM 5119 OH2 TIP3 686 40.555 18.241 13.374 1.00 0.00 WT1 O ATOM 5120 H1 TIP3 686 41.497 18.351 13.498 1.00 0.00 WT1 H ATOM 5121 H2 TIP3 686 40.455 18.070 12.437 1.00 0.00 WT1 H ATOM 5122 OH2 TIP3 687 27.158 38.300 2.163 1.00 0.00 WT1 O ATOM 5123 H1 TIP3 687 27.820 38.187 1.481 1.00 0.00 WT1 H ATOM 5124 H2 TIP3 687 27.049 39.248 2.236 1.00 0.00 WT1 H ATOM 5125 OH2 TIP3 689 27.507 42.851 20.827 1.00 0.00 WT1 O ATOM 5126 H1 TIP3 689 28.334 42.721 20.363 1.00 0.00 WT1 H ATOM 5127 H2 TIP3 689 27.001 43.432 20.259 1.00 0.00 WT1 H ATOM 5128 OH2 TIP3 690 63.762 19.117 -8.651 1.00 0.00 WT1 O ATOM 5129 H1 TIP3 690 63.515 19.611 -9.433 1.00 0.00 WT1 H ATOM 5130 H2 TIP3 690 64.652 19.409 -8.453 1.00 0.00 WT1 H ATOM 5131 OH2 TIP3 692 78.540 41.927 59.060 1.00 0.00 WT1 O ATOM 5132 H1 TIP3 692 78.400 42.740 58.574 1.00 0.00 WT1 H ATOM 5133 H2 TIP3 692 78.070 41.263 58.556 1.00 0.00 WT1 H ATOM 5134 OH2 TIP3 693 68.263 94.965 -4.141 1.00 0.00 WT1 O ATOM 5135 H1 TIP3 693 68.178 95.358 -5.009 1.00 0.00 WT1 H ATOM 5136 H2 TIP3 693 68.219 95.707 -3.537 1.00 0.00 WT1 H ATOM 5137 OH2 TIP3 694 59.020 58.678 43.553 1.00 0.00 WT1 O ATOM 5138 H1 TIP3 694 58.984 57.731 43.688 1.00 0.00 WT1 H ATOM 5139 H2 TIP3 694 58.363 58.849 42.877 1.00 0.00 WT1 H ATOM 5140 OH2 TIP3 695 53.441 9.602 54.965 1.00 0.00 WT1 O ATOM 5141 H1 TIP3 695 52.976 8.890 54.526 1.00 0.00 WT1 H ATOM 5142 H2 TIP3 695 54.226 9.740 54.434 1.00 0.00 WT1 H ATOM 5143 OH2 TIP3 696 55.683 55.611 -19.420 1.00 0.00 WT1 O ATOM 5144 H1 TIP3 696 54.968 55.822 -18.820 1.00 0.00 WT1 H ATOM 5145 H2 TIP3 696 55.641 54.660 -19.519 1.00 0.00 WT1 H ATOM 5146 OH2 TIP3 697 27.712 93.109 14.113 1.00 0.00 WT1 O ATOM 5147 H1 TIP3 697 26.957 93.416 13.611 1.00 0.00 WT1 H ATOM 5148 H2 TIP3 697 27.333 92.583 14.818 1.00 0.00 WT1 H ATOM 5149 OH2 TIP3 698 72.697 34.214 64.230 1.00 0.00 WT1 O ATOM 5150 H1 TIP3 698 73.339 34.271 63.522 1.00 0.00 WT1 H ATOM 5151 H2 TIP3 698 71.851 34.313 63.795 1.00 0.00 WT1 H ATOM 5152 OH2 TIP3 699 24.851 71.502 4.930 1.00 0.00 WT1 O ATOM 5153 H1 TIP3 699 25.009 71.102 5.785 1.00 0.00 WT1 H ATOM 5154 H2 TIP3 699 25.626 71.280 4.414 1.00 0.00 WT1 H ATOM 5155 OH2 TIP3 700 75.177 38.527 -13.784 1.00 0.00 WT1 O ATOM 5156 H1 TIP3 700 75.577 38.030 -13.070 1.00 0.00 WT1 H ATOM 5157 H2 TIP3 700 75.919 38.878 -14.277 1.00 0.00 WT1 H ATOM 5158 OH2 TIP3 701 67.569 57.420 34.443 1.00 0.00 WT1 O ATOM 5159 H1 TIP3 701 66.738 57.660 34.033 1.00 0.00 WT1 H ATOM 5160 H2 TIP3 701 67.587 57.920 35.259 1.00 0.00 WT1 H ATOM 5161 OH2 TIP3 702 41.218 44.215 20.494 1.00 0.00 WT1 O ATOM 5162 H1 TIP3 702 42.083 43.822 20.375 1.00 0.00 WT1 H ATOM 5163 H2 TIP3 702 41.168 44.404 21.431 1.00 0.00 WT1 H ATOM 5164 OH2 TIP3 703 54.230 22.308 10.690 1.00 0.00 WT1 O ATOM 5165 H1 TIP3 703 53.631 21.690 10.272 1.00 0.00 WT1 H ATOM 5166 H2 TIP3 703 53.772 22.587 11.484 1.00 0.00 WT1 H ATOM 5167 OH2 TIP3 704 49.603 15.388 20.246 1.00 0.00 WT1 O ATOM 5168 H1 TIP3 704 48.947 15.142 19.594 1.00 0.00 WT1 H ATOM 5169 H2 TIP3 704 49.252 16.180 20.653 1.00 0.00 WT1 H ATOM 5170 OH2 TIP3 705 45.375 41.503 31.297 1.00 0.00 WT1 O ATOM 5171 H1 TIP3 705 46.310 41.307 31.371 1.00 0.00 WT1 H ATOM 5172 H2 TIP3 705 45.244 41.698 30.369 1.00 0.00 WT1 H ATOM 5173 OH2 TIP3 706 44.866 21.054 -16.862 1.00 0.00 WT1 O ATOM 5174 H1 TIP3 706 44.200 20.388 -17.034 1.00 0.00 WT1 H ATOM 5175 H2 TIP3 706 44.519 21.850 -17.266 1.00 0.00 WT1 H ATOM 5176 OH2 TIP3 707 82.447 78.292 -5.638 1.00 0.00 WT1 O ATOM 5177 H1 TIP3 707 83.119 77.948 -5.049 1.00 0.00 WT1 H ATOM 5178 H2 TIP3 707 82.107 79.065 -5.189 1.00 0.00 WT1 H ATOM 5179 OH2 TIP3 708 64.595 64.291 -2.749 1.00 0.00 WT1 O ATOM 5180 H1 TIP3 708 64.788 64.963 -2.096 1.00 0.00 WT1 H ATOM 5181 H2 TIP3 708 65.298 63.649 -2.648 1.00 0.00 WT1 H ATOM 5182 OH2 TIP3 709 44.199 93.697 0.906 1.00 0.00 WT1 O ATOM 5183 H1 TIP3 709 43.914 94.442 1.434 1.00 0.00 WT1 H ATOM 5184 H2 TIP3 709 43.855 93.876 0.031 1.00 0.00 WT1 H ATOM 5185 OH2 TIP3 710 63.201 21.687 -7.827 1.00 0.00 WT1 O ATOM 5186 H1 TIP3 710 62.765 21.581 -6.982 1.00 0.00 WT1 H ATOM 5187 H2 TIP3 710 63.408 20.794 -8.104 1.00 0.00 WT1 H ATOM 5188 OH2 TIP3 711 86.447 29.054 0.539 1.00 0.00 WT1 O ATOM 5189 H1 TIP3 711 86.785 29.108 -0.355 1.00 0.00 WT1 H ATOM 5190 H2 TIP3 711 86.081 28.173 0.605 1.00 0.00 WT1 H ATOM 5191 OH2 TIP3 712 71.908 36.915 55.329 1.00 0.00 WT1 O ATOM 5192 H1 TIP3 712 71.685 36.462 54.516 1.00 0.00 WT1 H ATOM 5193 H2 TIP3 712 71.786 36.256 56.012 1.00 0.00 WT1 H ATOM 5194 OH2 TIP3 713 63.609 16.255 19.607 1.00 0.00 WT1 O ATOM 5195 H1 TIP3 713 64.166 15.896 20.298 1.00 0.00 WT1 H ATOM 5196 H2 TIP3 713 63.363 17.124 19.926 1.00 0.00 WT1 H ATOM 5197 OH2 TIP3 714 55.291 48.932 46.536 1.00 0.00 WT1 O ATOM 5198 H1 TIP3 714 55.455 48.237 47.173 1.00 0.00 WT1 H ATOM 5199 H2 TIP3 714 56.147 49.339 46.399 1.00 0.00 WT1 H ATOM 5200 OH2 TIP3 715 68.452 45.388 37.881 1.00 0.00 WT1 O ATOM 5201 H1 TIP3 715 68.772 45.861 38.650 1.00 0.00 WT1 H ATOM 5202 H2 TIP3 715 67.866 46.007 37.446 1.00 0.00 WT1 H ATOM 5203 OH2 TIP3 716 73.957 5.186 60.131 1.00 0.00 WT1 O ATOM 5204 H1 TIP3 716 74.153 4.527 59.464 1.00 0.00 WT1 H ATOM 5205 H2 TIP3 716 73.852 4.685 60.940 1.00 0.00 WT1 H ATOM 5206 OH2 TIP3 717 50.773 42.675 39.754 1.00 0.00 WT1 O ATOM 5207 H1 TIP3 717 50.626 43.334 40.433 1.00 0.00 WT1 H ATOM 5208 H2 TIP3 717 50.104 42.857 39.094 1.00 0.00 WT1 H ATOM 5209 OH2 TIP3 718 56.667 28.780 31.980 1.00 0.00 WT1 O ATOM 5210 H1 TIP3 718 57.446 28.350 31.627 1.00 0.00 WT1 H ATOM 5211 H2 TIP3 718 56.250 28.111 32.524 1.00 0.00 WT1 H ATOM 5212 OH2 TIP3 719 73.876 88.573 51.036 1.00 0.00 WT1 O ATOM 5213 H1 TIP3 719 74.207 88.816 50.171 1.00 0.00 WT1 H ATOM 5214 H2 TIP3 719 74.129 87.656 51.142 1.00 0.00 WT1 H ATOM 5215 OH2 TIP3 720 30.785 91.421 21.940 1.00 0.00 WT1 O ATOM 5216 H1 TIP3 720 31.110 92.207 22.379 1.00 0.00 WT1 H ATOM 5217 H2 TIP3 720 30.596 90.810 22.652 1.00 0.00 WT1 H ATOM 5218 OH2 TIP3 721 63.196 12.991 14.177 1.00 0.00 WT1 O ATOM 5219 H1 TIP3 721 63.259 12.254 14.785 1.00 0.00 WT1 H ATOM 5220 H2 TIP3 721 62.276 13.251 14.210 1.00 0.00 WT1 H ATOM 5221 OH2 TIP3 722 64.947 35.813 -12.827 1.00 0.00 WT1 O ATOM 5222 H1 TIP3 722 65.131 35.084 -13.420 1.00 0.00 WT1 H ATOM 5223 H2 TIP3 722 65.811 36.150 -12.588 1.00 0.00 WT1 H ATOM 5224 OH2 TIP3 723 73.183 35.110 3.184 1.00 0.00 WT1 O ATOM 5225 H1 TIP3 723 73.335 34.168 3.268 1.00 0.00 WT1 H ATOM 5226 H2 TIP3 723 72.968 35.398 4.071 1.00 0.00 WT1 H ATOM 5227 OH2 TIP3 724 42.804 36.075 10.953 1.00 0.00 WT1 O ATOM 5228 H1 TIP3 724 41.895 36.128 11.249 1.00 0.00 WT1 H ATOM 5229 H2 TIP3 724 43.295 35.815 11.733 1.00 0.00 WT1 H ATOM 5230 OH2 TIP3 725 85.271 92.076 1.030 1.00 0.00 WT1 O ATOM 5231 H1 TIP3 725 85.752 91.520 0.416 1.00 0.00 WT1 H ATOM 5232 H2 TIP3 725 84.478 92.326 0.556 1.00 0.00 WT1 H ATOM 5233 OH2 TIP3 726 35.153 64.817 21.412 1.00 0.00 WT1 O ATOM 5234 H1 TIP3 726 35.695 65.605 21.439 1.00 0.00 WT1 H ATOM 5235 H2 TIP3 726 35.646 64.205 20.865 1.00 0.00 WT1 H ATOM 5236 OH2 TIP3 728 37.547 80.233 58.197 1.00 0.00 WT1 O ATOM 5237 H1 TIP3 728 36.920 80.929 58.396 1.00 0.00 WT1 H ATOM 5238 H2 TIP3 728 38.335 80.695 57.911 1.00 0.00 WT1 H ATOM 5239 OH2 TIP3 729 48.335 23.955 37.889 1.00 0.00 WT1 O ATOM 5240 H1 TIP3 729 47.780 24.678 37.595 1.00 0.00 WT1 H ATOM 5241 H2 TIP3 729 49.195 24.352 38.023 1.00 0.00 WT1 H ATOM 5242 OH2 TIP3 730 52.106 84.895 59.406 1.00 0.00 WT1 O ATOM 5243 H1 TIP3 730 52.254 85.678 58.876 1.00 0.00 WT1 H ATOM 5244 H2 TIP3 730 51.993 85.226 60.297 1.00 0.00 WT1 H ATOM 5245 OH2 TIP3 731 85.573 27.182 66.760 1.00 0.00 WT1 O ATOM 5246 H1 TIP3 731 85.462 26.611 66.000 1.00 0.00 WT1 H ATOM 5247 H2 TIP3 731 86.461 27.530 66.670 1.00 0.00 WT1 H ATOM 5248 OH2 TIP3 732 26.387 45.871 -10.787 1.00 0.00 WT1 O ATOM 5249 H1 TIP3 732 27.209 46.356 -10.710 1.00 0.00 WT1 H ATOM 5250 H2 TIP3 732 26.213 45.843 -11.728 1.00 0.00 WT1 H ATOM 5251 OH2 TIP3 733 86.054 53.284 -15.576 1.00 0.00 WT1 O ATOM 5252 H1 TIP3 733 86.093 52.346 -15.391 1.00 0.00 WT1 H ATOM 5253 H2 TIP3 733 86.785 53.441 -16.175 1.00 0.00 WT1 H ATOM 5254 OH2 TIP3 734 36.386 46.321 -6.712 1.00 0.00 WT1 O ATOM 5255 H1 TIP3 734 35.800 46.628 -6.021 1.00 0.00 WT1 H ATOM 5256 H2 TIP3 734 35.801 46.040 -7.416 1.00 0.00 WT1 H ATOM 5257 OH2 TIP3 735 90.069 36.158 41.360 1.00 0.00 WT1 O ATOM 5258 H1 TIP3 735 89.836 36.548 42.203 1.00 0.00 WT1 H ATOM 5259 H2 TIP3 735 89.794 36.807 40.712 1.00 0.00 WT1 H ATOM 5260 OH2 TIP3 736 72.977 35.965 25.375 1.00 0.00 WT1 O ATOM 5261 H1 TIP3 736 73.077 36.425 24.542 1.00 0.00 WT1 H ATOM 5262 H2 TIP3 736 73.663 36.330 25.935 1.00 0.00 WT1 H ATOM 5263 OH2 TIP3 737 83.811 55.947 19.767 1.00 0.00 WT1 O ATOM 5264 H1 TIP3 737 83.526 56.731 19.298 1.00 0.00 WT1 H ATOM 5265 H2 TIP3 737 83.859 56.219 20.683 1.00 0.00 WT1 H ATOM 5266 OH2 TIP3 738 75.952 73.445 34.080 1.00 0.00 WT1 O ATOM 5267 H1 TIP3 738 76.177 73.666 33.177 1.00 0.00 WT1 H ATOM 5268 H2 TIP3 738 75.095 73.850 34.219 1.00 0.00 WT1 H ATOM 5269 OH2 TIP3 739 27.642 25.103 39.045 1.00 0.00 WT1 O ATOM 5270 H1 TIP3 739 27.637 25.827 39.672 1.00 0.00 WT1 H ATOM 5271 H2 TIP3 739 26.903 24.554 39.307 1.00 0.00 WT1 H ATOM 5272 OH2 TIP3 740 68.932 40.552 10.484 1.00 0.00 WT1 O ATOM 5273 H1 TIP3 740 68.014 40.423 10.247 1.00 0.00 WT1 H ATOM 5274 H2 TIP3 740 69.089 39.926 11.191 1.00 0.00 WT1 H ATOM 5275 OH2 TIP3 741 56.275 56.251 14.703 1.00 0.00 WT1 O ATOM 5276 H1 TIP3 741 56.379 57.126 15.077 1.00 0.00 WT1 H ATOM 5277 H2 TIP3 741 55.780 55.765 15.362 1.00 0.00 WT1 H ATOM 5278 OH2 TIP3 742 64.005 70.162 23.924 1.00 0.00 WT1 O ATOM 5279 H1 TIP3 742 63.708 69.288 24.177 1.00 0.00 WT1 H ATOM 5280 H2 TIP3 742 63.331 70.752 24.262 1.00 0.00 WT1 H ATOM 5281 OH2 TIP3 743 26.743 92.833 5.403 1.00 0.00 WT1 O ATOM 5282 H1 TIP3 743 27.480 93.107 4.856 1.00 0.00 WT1 H ATOM 5283 H2 TIP3 743 26.955 91.936 5.660 1.00 0.00 WT1 H ATOM 5284 OH2 TIP3 744 80.480 49.346 -7.378 1.00 0.00 WT1 O ATOM 5285 H1 TIP3 744 80.781 50.214 -7.108 1.00 0.00 WT1 H ATOM 5286 H2 TIP3 744 79.552 49.329 -7.144 1.00 0.00 WT1 H ATOM 5287 OH2 TIP3 745 70.443 30.448 62.907 1.00 0.00 WT1 O ATOM 5288 H1 TIP3 745 71.316 30.750 63.161 1.00 0.00 WT1 H ATOM 5289 H2 TIP3 745 69.845 30.949 63.462 1.00 0.00 WT1 H ATOM 5290 OH2 TIP3 746 72.357 7.839 -17.653 1.00 0.00 WT1 O ATOM 5291 H1 TIP3 746 72.160 6.902 -17.646 1.00 0.00 WT1 H ATOM 5292 H2 TIP3 746 73.139 7.924 -17.107 1.00 0.00 WT1 H ATOM 5293 OH2 TIP3 747 57.952 78.495 55.860 1.00 0.00 WT1 O ATOM 5294 H1 TIP3 747 58.527 77.817 55.505 1.00 0.00 WT1 H ATOM 5295 H2 TIP3 747 57.237 78.011 56.275 1.00 0.00 WT1 H ATOM 5296 OH2 TIP3 748 86.210 24.277 60.975 1.00 0.00 WT1 O ATOM 5297 H1 TIP3 748 86.734 25.039 60.727 1.00 0.00 WT1 H ATOM 5298 H2 TIP3 748 85.377 24.400 60.521 1.00 0.00 WT1 H ATOM 5299 OH2 TIP3 749 45.036 63.334 12.697 1.00 0.00 WT1 O ATOM 5300 H1 TIP3 749 45.771 63.398 13.306 1.00 0.00 WT1 H ATOM 5301 H2 TIP3 749 45.009 64.187 12.262 1.00 0.00 WT1 H ATOM 5302 OH2 TIP3 750 89.719 61.553 -5.782 1.00 0.00 WT1 O ATOM 5303 H1 TIP3 750 89.732 62.319 -6.355 1.00 0.00 WT1 H ATOM 5304 H2 TIP3 750 88.966 61.694 -5.210 1.00 0.00 WT1 H ATOM 5305 OH2 TIP3 751 52.849 53.131 1.661 1.00 0.00 WT1 O ATOM 5306 H1 TIP3 751 53.043 53.983 2.052 1.00 0.00 WT1 H ATOM 5307 H2 TIP3 751 52.652 52.565 2.407 1.00 0.00 WT1 H ATOM 5308 OH2 TIP3 752 50.941 66.698 18.918 1.00 0.00 WT1 O ATOM 5309 H1 TIP3 752 51.370 66.308 18.156 1.00 0.00 WT1 H ATOM 5310 H2 TIP3 752 50.568 67.517 18.590 1.00 0.00 WT1 H ATOM 5311 OH2 TIP3 753 87.281 50.603 27.167 1.00 0.00 WT1 O ATOM 5312 H1 TIP3 753 86.469 51.103 27.084 1.00 0.00 WT1 H ATOM 5313 H2 TIP3 753 87.594 50.504 26.269 1.00 0.00 WT1 H ATOM 5314 OH2 TIP3 754 37.631 31.333 26.389 1.00 0.00 WT1 O ATOM 5315 H1 TIP3 754 38.048 31.509 25.546 1.00 0.00 WT1 H ATOM 5316 H2 TIP3 754 38.324 31.474 27.034 1.00 0.00 WT1 H ATOM 5317 OH2 TIP3 755 48.291 54.934 40.336 1.00 0.00 WT1 O ATOM 5318 H1 TIP3 755 47.971 55.632 39.765 1.00 0.00 WT1 H ATOM 5319 H2 TIP3 755 48.244 55.304 41.218 1.00 0.00 WT1 H ATOM 5320 OH2 TIP3 756 68.363 90.702 26.196 1.00 0.00 WT1 O ATOM 5321 H1 TIP3 756 68.749 90.001 26.721 1.00 0.00 WT1 H ATOM 5322 H2 TIP3 756 68.328 90.346 25.309 1.00 0.00 WT1 H ATOM 5323 OH2 TIP3 757 39.498 54.624 -5.604 1.00 0.00 WT1 O ATOM 5324 H1 TIP3 757 38.895 55.180 -5.110 1.00 0.00 WT1 H ATOM 5325 H2 TIP3 757 40.019 55.237 -6.123 1.00 0.00 WT1 H ATOM 5326 OH2 TIP3 758 82.525 19.770 62.354 1.00 0.00 WT1 O ATOM 5327 H1 TIP3 758 82.573 20.598 61.878 1.00 0.00 WT1 H ATOM 5328 H2 TIP3 758 83.436 19.563 62.567 1.00 0.00 WT1 H ATOM 5329 OH2 TIP3 759 77.907 56.851 55.036 1.00 0.00 WT1 O ATOM 5330 H1 TIP3 759 77.588 57.180 54.196 1.00 0.00 WT1 H ATOM 5331 H2 TIP3 759 78.018 55.910 54.899 1.00 0.00 WT1 H ATOM 5332 OH2 TIP3 760 55.749 51.037 63.223 1.00 0.00 WT1 O ATOM 5333 H1 TIP3 760 55.124 51.150 62.506 1.00 0.00 WT1 H ATOM 5334 H2 TIP3 760 55.880 51.920 63.568 1.00 0.00 WT1 H ATOM 5335 OH2 TIP3 761 31.589 39.754 10.605 1.00 0.00 WT1 O ATOM 5336 H1 TIP3 761 31.406 40.027 9.706 1.00 0.00 WT1 H ATOM 5337 H2 TIP3 761 31.027 40.310 11.144 1.00 0.00 WT1 H ATOM 5338 OH2 TIP3 762 73.555 3.022 -19.582 1.00 0.00 WT1 O ATOM 5339 H1 TIP3 762 73.854 3.876 -19.893 1.00 0.00 WT1 H ATOM 5340 H2 TIP3 762 72.643 2.967 -19.868 1.00 0.00 WT1 H ATOM 5341 OH2 TIP3 763 26.279 89.262 -6.648 1.00 0.00 WT1 O ATOM 5342 H1 TIP3 763 26.829 88.878 -7.332 1.00 0.00 WT1 H ATOM 5343 H2 TIP3 763 25.844 88.513 -6.241 1.00 0.00 WT1 H ATOM 5344 OH2 TIP3 764 76.830 59.570 9.688 1.00 0.00 WT1 O ATOM 5345 H1 TIP3 764 77.733 59.342 9.910 1.00 0.00 WT1 H ATOM 5346 H2 TIP3 764 76.305 58.867 10.069 1.00 0.00 WT1 H ATOM 5347 OH2 TIP3 765 27.155 30.239 0.696 1.00 0.00 WT1 O ATOM 5348 H1 TIP3 765 27.331 30.761 1.479 1.00 0.00 WT1 H ATOM 5349 H2 TIP3 765 27.547 29.386 0.882 1.00 0.00 WT1 H ATOM 5350 OH2 TIP3 766 40.463 3.159 6.432 1.00 0.00 WT1 O ATOM 5351 H1 TIP3 766 40.575 3.691 7.219 1.00 0.00 WT1 H ATOM 5352 H2 TIP3 766 41.013 3.584 5.774 1.00 0.00 WT1 H ATOM 5353 OH2 TIP3 767 23.716 38.665 -6.401 1.00 0.00 WT1 O ATOM 5354 H1 TIP3 767 24.292 38.220 -5.780 1.00 0.00 WT1 H ATOM 5355 H2 TIP3 767 24.114 39.527 -6.522 1.00 0.00 WT1 H ATOM 5356 OH2 TIP3 768 45.313 82.163 22.963 1.00 0.00 WT1 O ATOM 5357 H1 TIP3 768 44.382 82.263 23.162 1.00 0.00 WT1 H ATOM 5358 H2 TIP3 768 45.584 81.393 23.463 1.00 0.00 WT1 H ATOM 5359 OH2 TIP3 769 68.056 45.412 67.225 1.00 0.00 WT1 O ATOM 5360 H1 TIP3 769 67.125 45.298 67.416 1.00 0.00 WT1 H ATOM 5361 H2 TIP3 769 68.199 46.356 67.283 1.00 0.00 WT1 H ATOM 5362 OH2 TIP3 770 63.956 34.795 -8.902 1.00 0.00 WT1 O ATOM 5363 H1 TIP3 770 64.767 34.918 -9.396 1.00 0.00 WT1 H ATOM 5364 H2 TIP3 770 64.210 34.250 -8.157 1.00 0.00 WT1 H ATOM 5365 OH2 TIP3 771 83.470 38.789 21.201 1.00 0.00 WT1 O ATOM 5366 H1 TIP3 771 82.837 38.795 20.483 1.00 0.00 WT1 H ATOM 5367 H2 TIP3 771 83.828 37.902 21.199 1.00 0.00 WT1 H ATOM 5368 OH2 TIP3 772 42.941 42.373 48.126 1.00 0.00 WT1 O ATOM 5369 H1 TIP3 772 42.701 42.943 47.396 1.00 0.00 WT1 H ATOM 5370 H2 TIP3 772 43.889 42.267 48.046 1.00 0.00 WT1 H ATOM 5371 OH2 TIP3 773 78.693 62.302 45.755 1.00 0.00 WT1 O ATOM 5372 H1 TIP3 773 78.674 62.628 46.655 1.00 0.00 WT1 H ATOM 5373 H2 TIP3 773 79.399 62.795 45.337 1.00 0.00 WT1 H ATOM 5374 OH2 TIP3 774 37.705 64.057 -11.030 1.00 0.00 WT1 O ATOM 5375 H1 TIP3 774 36.990 63.433 -10.904 1.00 0.00 WT1 H ATOM 5376 H2 TIP3 774 38.443 63.675 -10.554 1.00 0.00 WT1 H ATOM 5377 OH2 TIP3 775 73.916 21.084 10.863 1.00 0.00 WT1 O ATOM 5378 H1 TIP3 775 74.388 21.917 10.865 1.00 0.00 WT1 H ATOM 5379 H2 TIP3 775 73.351 21.130 10.091 1.00 0.00 WT1 H ATOM 5380 OH2 TIP3 776 51.214 50.531 -1.746 1.00 0.00 WT1 O ATOM 5381 H1 TIP3 776 51.910 50.330 -1.120 1.00 0.00 WT1 H ATOM 5382 H2 TIP3 776 50.403 50.350 -1.270 1.00 0.00 WT1 H ATOM 5383 OH2 TIP3 777 54.318 93.601 31.492 1.00 0.00 WT1 O ATOM 5384 H1 TIP3 777 53.374 93.457 31.555 1.00 0.00 WT1 H ATOM 5385 H2 TIP3 777 54.675 92.747 31.246 1.00 0.00 WT1 H ATOM 5386 OH2 TIP3 778 80.066 7.168 42.358 1.00 0.00 WT1 O ATOM 5387 H1 TIP3 778 79.647 7.604 41.615 1.00 0.00 WT1 H ATOM 5388 H2 TIP3 778 80.923 7.590 42.431 1.00 0.00 WT1 H ATOM 5389 OH2 TIP3 780 66.003 28.037 -18.254 1.00 0.00 WT1 O ATOM 5390 H1 TIP3 780 65.628 28.916 -18.195 1.00 0.00 WT1 H ATOM 5391 H2 TIP3 780 66.620 27.990 -17.524 1.00 0.00 WT1 H ATOM 5392 OH2 TIP3 781 54.784 69.437 10.018 1.00 0.00 WT1 O ATOM 5393 H1 TIP3 781 55.631 69.879 9.960 1.00 0.00 WT1 H ATOM 5394 H2 TIP3 781 54.997 68.544 10.289 1.00 0.00 WT1 H ATOM 5395 OH2 TIP3 782 72.171 22.557 18.994 1.00 0.00 WT1 O ATOM 5396 H1 TIP3 782 72.299 21.610 18.929 1.00 0.00 WT1 H ATOM 5397 H2 TIP3 782 71.774 22.803 18.158 1.00 0.00 WT1 H ATOM 5398 OH2 TIP3 783 54.994 65.089 -17.243 1.00 0.00 WT1 O ATOM 5399 H1 TIP3 783 55.071 64.172 -17.509 1.00 0.00 WT1 H ATOM 5400 H2 TIP3 783 54.893 65.056 -16.292 1.00 0.00 WT1 H ATOM 5401 OH2 TIP3 784 71.001 54.130 20.580 1.00 0.00 WT1 O ATOM 5402 H1 TIP3 784 70.082 54.197 20.321 1.00 0.00 WT1 H ATOM 5403 H2 TIP3 784 71.188 54.960 21.019 1.00 0.00 WT1 H ATOM 5404 OH2 TIP3 785 33.894 82.565 -8.517 1.00 0.00 WT1 O ATOM 5405 H1 TIP3 785 33.726 82.260 -7.626 1.00 0.00 WT1 H ATOM 5406 H2 TIP3 785 33.070 82.966 -8.793 1.00 0.00 WT1 H ATOM 5407 OH2 TIP3 786 54.823 91.553 35.509 1.00 0.00 WT1 O ATOM 5408 H1 TIP3 786 54.009 91.590 36.012 1.00 0.00 WT1 H ATOM 5409 H2 TIP3 786 54.692 90.831 34.894 1.00 0.00 WT1 H ATOM 5410 OH2 TIP3 787 89.374 31.128 13.712 1.00 0.00 WT1 O ATOM 5411 H1 TIP3 787 89.637 30.579 12.973 1.00 0.00 WT1 H ATOM 5412 H2 TIP3 787 90.193 31.506 14.033 1.00 0.00 WT1 H ATOM 5413 OH2 TIP3 788 78.592 54.937 -1.684 1.00 0.00 WT1 O ATOM 5414 H1 TIP3 788 79.369 55.444 -1.920 1.00 0.00 WT1 H ATOM 5415 H2 TIP3 788 77.928 55.204 -2.320 1.00 0.00 WT1 H ATOM 5416 OH2 TIP3 789 68.358 50.044 4.279 1.00 0.00 WT1 O ATOM 5417 H1 TIP3 789 68.696 49.609 5.062 1.00 0.00 WT1 H ATOM 5418 H2 TIP3 789 67.474 50.320 4.520 1.00 0.00 WT1 H ATOM 5419 OH2 TIP3 790 77.150 28.224 34.641 1.00 0.00 WT1 O ATOM 5420 H1 TIP3 790 76.843 28.933 35.205 1.00 0.00 WT1 H ATOM 5421 H2 TIP3 790 76.363 27.917 34.191 1.00 0.00 WT1 H ATOM 5422 OH2 TIP3 791 69.950 58.351 35.860 1.00 0.00 WT1 O ATOM 5423 H1 TIP3 791 69.742 57.609 36.429 1.00 0.00 WT1 H ATOM 5424 H2 TIP3 791 69.207 58.947 35.962 1.00 0.00 WT1 H ATOM 5425 OH2 TIP3 792 83.418 73.094 23.700 1.00 0.00 WT1 O ATOM 5426 H1 TIP3 792 84.070 72.392 23.698 1.00 0.00 WT1 H ATOM 5427 H2 TIP3 792 83.023 73.050 24.571 1.00 0.00 WT1 H ATOM 5428 OH2 TIP3 793 62.321 20.228 44.321 1.00 0.00 WT1 O ATOM 5429 H1 TIP3 793 62.964 20.607 43.722 1.00 0.00 WT1 H ATOM 5430 H2 TIP3 793 61.619 20.877 44.363 1.00 0.00 WT1 H ATOM 5431 OH2 TIP3 794 51.809 24.932 -0.225 1.00 0.00 WT1 O ATOM 5432 H1 TIP3 794 50.935 24.551 -0.306 1.00 0.00 WT1 H ATOM 5433 H2 TIP3 794 51.783 25.420 0.599 1.00 0.00 WT1 H ATOM 5434 OH2 TIP3 795 33.854 29.257 37.869 1.00 0.00 WT1 O ATOM 5435 H1 TIP3 795 34.206 29.328 38.757 1.00 0.00 WT1 H ATOM 5436 H2 TIP3 795 33.826 30.159 37.549 1.00 0.00 WT1 H ATOM 5437 OH2 TIP3 796 75.774 41.923 43.380 1.00 0.00 WT1 O ATOM 5438 H1 TIP3 796 74.907 41.583 43.161 1.00 0.00 WT1 H ATOM 5439 H2 TIP3 796 76.290 41.797 42.583 1.00 0.00 WT1 H ATOM 5440 OH2 TIP3 797 41.422 81.584 5.243 1.00 0.00 WT1 O ATOM 5441 H1 TIP3 797 41.057 81.650 4.361 1.00 0.00 WT1 H ATOM 5442 H2 TIP3 797 41.028 82.314 5.721 1.00 0.00 WT1 H ATOM 5443 OH2 TIP3 798 66.911 26.733 39.644 1.00 0.00 WT1 O ATOM 5444 H1 TIP3 798 67.770 26.581 39.250 1.00 0.00 WT1 H ATOM 5445 H2 TIP3 798 66.304 26.236 39.096 1.00 0.00 WT1 H ATOM 5446 OH2 TIP3 800 42.382 61.348 53.498 1.00 0.00 WT1 O ATOM 5447 H1 TIP3 800 42.664 60.971 52.665 1.00 0.00 WT1 H ATOM 5448 H2 TIP3 800 41.620 60.826 53.751 1.00 0.00 WT1 H ATOM 5449 OH2 TIP3 801 21.171 42.185 8.841 1.00 0.00 WT1 O ATOM 5450 H1 TIP3 801 21.180 43.143 8.832 1.00 0.00 WT1 H ATOM 5451 H2 TIP3 801 20.719 41.958 9.654 1.00 0.00 WT1 H ATOM 5452 OH2 TIP3 802 48.895 89.454 50.271 1.00 0.00 WT1 O ATOM 5453 H1 TIP3 802 48.086 89.322 50.764 1.00 0.00 WT1 H ATOM 5454 H2 TIP3 802 48.828 88.848 49.533 1.00 0.00 WT1 H ATOM 5455 OH2 TIP3 803 42.718 66.287 -15.691 1.00 0.00 WT1 O ATOM 5456 H1 TIP3 803 42.902 67.162 -16.034 1.00 0.00 WT1 H ATOM 5457 H2 TIP3 803 41.763 66.229 -15.681 1.00 0.00 WT1 H ATOM 5458 OH2 TIP3 804 87.678 41.112 5.363 1.00 0.00 WT1 O ATOM 5459 H1 TIP3 804 87.677 41.460 4.471 1.00 0.00 WT1 H ATOM 5460 H2 TIP3 804 88.173 40.294 5.300 1.00 0.00 WT1 H ATOM 5461 OH2 TIP3 805 22.798 5.775 37.460 1.00 0.00 WT1 O ATOM 5462 H1 TIP3 805 22.720 5.654 36.514 1.00 0.00 WT1 H ATOM 5463 H2 TIP3 805 21.902 5.692 37.787 1.00 0.00 WT1 H ATOM 5464 OH2 TIP3 806 78.970 24.220 55.681 1.00 0.00 WT1 O ATOM 5465 H1 TIP3 806 78.520 24.662 54.961 1.00 0.00 WT1 H ATOM 5466 H2 TIP3 806 79.319 23.419 55.289 1.00 0.00 WT1 H ATOM 5467 OH2 TIP3 807 54.321 38.920 2.987 1.00 0.00 WT1 O ATOM 5468 H1 TIP3 807 53.847 39.736 2.824 1.00 0.00 WT1 H ATOM 5469 H2 TIP3 807 55.183 39.201 3.294 1.00 0.00 WT1 H ATOM 5470 OH2 TIP3 808 86.157 7.657 4.147 1.00 0.00 WT1 O ATOM 5471 H1 TIP3 808 85.631 8.052 3.452 1.00 0.00 WT1 H ATOM 5472 H2 TIP3 808 86.827 7.154 3.684 1.00 0.00 WT1 H ATOM 5473 OH2 TIP3 809 82.883 67.643 -2.032 1.00 0.00 WT1 O ATOM 5474 H1 TIP3 809 83.466 67.100 -2.564 1.00 0.00 WT1 H ATOM 5475 H2 TIP3 809 82.175 67.053 -1.774 1.00 0.00 WT1 H ATOM 5476 OH2 TIP3 810 52.556 32.041 11.772 1.00 0.00 WT1 O ATOM 5477 H1 TIP3 810 52.176 31.349 11.232 1.00 0.00 WT1 H ATOM 5478 H2 TIP3 810 51.801 32.487 12.157 1.00 0.00 WT1 H ATOM 5479 OH2 TIP3 812 80.931 52.048 -6.951 1.00 0.00 WT1 O ATOM 5480 H1 TIP3 812 81.817 52.319 -6.708 1.00 0.00 WT1 H ATOM 5481 H2 TIP3 812 80.541 52.828 -7.345 1.00 0.00 WT1 H ATOM 5482 OH2 TIP3 813 38.490 34.003 49.832 1.00 0.00 WT1 O ATOM 5483 H1 TIP3 813 37.633 34.037 49.407 1.00 0.00 WT1 H ATOM 5484 H2 TIP3 813 38.992 33.377 49.309 1.00 0.00 WT1 H ATOM 5485 OH2 TIP3 814 29.494 20.086 23.837 1.00 0.00 WT1 O ATOM 5486 H1 TIP3 814 29.718 21.017 23.824 1.00 0.00 WT1 H ATOM 5487 H2 TIP3 814 28.577 20.064 24.108 1.00 0.00 WT1 H ATOM 5488 OH2 TIP3 815 74.266 58.063 53.767 1.00 0.00 WT1 O ATOM 5489 H1 TIP3 815 73.720 58.763 54.125 1.00 0.00 WT1 H ATOM 5490 H2 TIP3 815 74.239 58.198 52.820 1.00 0.00 WT1 H ATOM 5491 OH2 TIP3 816 42.479 28.451 -1.251 1.00 0.00 WT1 O ATOM 5492 H1 TIP3 816 42.817 27.699 -1.737 1.00 0.00 WT1 H ATOM 5493 H2 TIP3 816 43.239 28.793 -0.780 1.00 0.00 WT1 H ATOM 5494 OH2 TIP3 817 36.456 94.828 63.902 1.00 0.00 WT1 O ATOM 5495 H1 TIP3 817 36.904 94.634 64.725 1.00 0.00 WT1 H ATOM 5496 H2 TIP3 817 36.925 94.313 63.246 1.00 0.00 WT1 H ATOM 5497 OH2 TIP3 818 35.496 65.242 46.392 1.00 0.00 WT1 O ATOM 5498 H1 TIP3 818 35.430 64.287 46.394 1.00 0.00 WT1 H ATOM 5499 H2 TIP3 818 36.166 65.435 45.735 1.00 0.00 WT1 H ATOM 5500 OH2 TIP3 819 86.337 61.207 12.976 1.00 0.00 WT1 O ATOM 5501 H1 TIP3 819 87.092 61.674 12.616 1.00 0.00 WT1 H ATOM 5502 H2 TIP3 819 85.592 61.779 12.793 1.00 0.00 WT1 H ATOM 5503 OH2 TIP3 820 24.631 42.420 -14.141 1.00 0.00 WT1 O ATOM 5504 H1 TIP3 820 24.050 42.927 -13.573 1.00 0.00 WT1 H ATOM 5505 H2 TIP3 820 25.211 41.956 -13.537 1.00 0.00 WT1 H ATOM 5506 OH2 TIP3 821 71.721 3.927 27.059 1.00 0.00 WT1 O ATOM 5507 H1 TIP3 821 71.701 4.795 27.461 1.00 0.00 WT1 H ATOM 5508 H2 TIP3 821 72.287 3.410 27.632 1.00 0.00 WT1 H ATOM 5509 OH2 TIP3 822 71.592 81.668 -9.273 1.00 0.00 WT1 O ATOM 5510 H1 TIP3 822 71.185 82.501 -9.512 1.00 0.00 WT1 H ATOM 5511 H2 TIP3 822 70.885 81.027 -9.345 1.00 0.00 WT1 H ATOM 5512 OH2 TIP3 823 26.593 62.593 29.046 1.00 0.00 WT1 O ATOM 5513 H1 TIP3 823 26.356 62.706 28.126 1.00 0.00 WT1 H ATOM 5514 H2 TIP3 823 27.176 63.328 29.236 1.00 0.00 WT1 H ATOM 5515 OH2 TIP3 824 40.529 85.145 10.811 1.00 0.00 WT1 O ATOM 5516 H1 TIP3 824 40.505 84.483 11.502 1.00 0.00 WT1 H ATOM 5517 H2 TIP3 824 40.987 84.719 10.087 1.00 0.00 WT1 H ATOM 5518 OH2 TIP3 825 28.960 26.219 57.567 1.00 0.00 WT1 O ATOM 5519 H1 TIP3 825 29.556 26.926 57.317 1.00 0.00 WT1 H ATOM 5520 H2 TIP3 825 28.693 25.826 56.737 1.00 0.00 WT1 H ATOM 5521 OH2 TIP3 826 46.609 47.438 9.422 1.00 0.00 WT1 O ATOM 5522 H1 TIP3 826 47.243 47.234 10.109 1.00 0.00 WT1 H ATOM 5523 H2 TIP3 826 46.223 48.271 9.691 1.00 0.00 WT1 H ATOM 5524 OH2 TIP3 827 64.743 31.882 -0.273 1.00 0.00 WT1 O ATOM 5525 H1 TIP3 827 64.091 32.072 0.401 1.00 0.00 WT1 H ATOM 5526 H2 TIP3 827 65.585 32.026 0.159 1.00 0.00 WT1 H ATOM 5527 OH2 TIP3 828 62.800 91.642 23.065 1.00 0.00 WT1 O ATOM 5528 H1 TIP3 828 63.741 91.507 22.954 1.00 0.00 WT1 H ATOM 5529 H2 TIP3 828 62.396 90.897 22.620 1.00 0.00 WT1 H ATOM 5530 OH2 TIP3 829 47.899 29.578 3.787 1.00 0.00 WT1 O ATOM 5531 H1 TIP3 829 47.738 29.626 4.729 1.00 0.00 WT1 H ATOM 5532 H2 TIP3 829 48.253 30.438 3.560 1.00 0.00 WT1 H ATOM 5533 OH2 TIP3 830 56.141 40.874 -0.082 1.00 0.00 WT1 O ATOM 5534 H1 TIP3 830 56.284 41.800 -0.276 1.00 0.00 WT1 H ATOM 5535 H2 TIP3 830 56.177 40.820 0.873 1.00 0.00 WT1 H ATOM 5536 OH2 TIP3 831 61.656 1.984 27.345 1.00 0.00 WT1 O ATOM 5537 H1 TIP3 831 60.758 2.305 27.267 1.00 0.00 WT1 H ATOM 5538 H2 TIP3 831 62.155 2.738 27.657 1.00 0.00 WT1 H ATOM 5539 OH2 TIP3 832 60.647 43.929 -5.428 1.00 0.00 WT1 O ATOM 5540 H1 TIP3 832 60.177 44.107 -4.613 1.00 0.00 WT1 H ATOM 5541 H2 TIP3 832 60.511 44.712 -5.960 1.00 0.00 WT1 H ATOM 5542 OH2 TIP3 833 53.478 39.372 35.719 1.00 0.00 WT1 O ATOM 5543 H1 TIP3 833 53.800 38.742 35.074 1.00 0.00 WT1 H ATOM 5544 H2 TIP3 833 53.030 40.039 35.199 1.00 0.00 WT1 H ATOM 5545 OH2 TIP3 834 32.572 17.972 60.853 1.00 0.00 WT1 O ATOM 5546 H1 TIP3 834 32.635 17.227 60.255 1.00 0.00 WT1 H ATOM 5547 H2 TIP3 834 32.081 18.632 60.365 1.00 0.00 WT1 H ATOM 5548 OH2 TIP3 835 81.533 85.239 -16.079 1.00 0.00 WT1 O ATOM 5549 H1 TIP3 835 82.162 84.557 -15.845 1.00 0.00 WT1 H ATOM 5550 H2 TIP3 835 81.816 86.007 -15.582 1.00 0.00 WT1 H ATOM 5551 OH2 TIP3 836 73.849 72.547 39.910 1.00 0.00 WT1 O ATOM 5552 H1 TIP3 836 74.383 71.898 39.452 1.00 0.00 WT1 H ATOM 5553 H2 TIP3 836 72.980 72.149 39.961 1.00 0.00 WT1 H ATOM 5554 OH2 TIP3 837 60.064 63.046 27.202 1.00 0.00 WT1 O ATOM 5555 H1 TIP3 837 60.072 63.330 26.287 1.00 0.00 WT1 H ATOM 5556 H2 TIP3 837 59.510 62.265 27.206 1.00 0.00 WT1 H ATOM 5557 OH2 TIP3 838 57.649 87.810 33.635 1.00 0.00 WT1 O ATOM 5558 H1 TIP3 838 57.299 87.416 32.836 1.00 0.00 WT1 H ATOM 5559 H2 TIP3 838 58.599 87.765 33.528 1.00 0.00 WT1 H ATOM 5560 OH2 TIP3 839 68.550 30.955 60.519 1.00 0.00 WT1 O ATOM 5561 H1 TIP3 839 69.014 30.585 61.270 1.00 0.00 WT1 H ATOM 5562 H2 TIP3 839 67.665 30.595 60.583 1.00 0.00 WT1 H ATOM 5563 OH2 TIP3 840 42.409 37.606 -17.435 1.00 0.00 WT1 O ATOM 5564 H1 TIP3 840 42.013 38.200 -16.797 1.00 0.00 WT1 H ATOM 5565 H2 TIP3 840 42.304 36.736 -17.051 1.00 0.00 WT1 H ATOM 5566 OH2 TIP3 841 54.512 4.682 51.850 1.00 0.00 WT1 O ATOM 5567 H1 TIP3 841 54.295 3.753 51.777 1.00 0.00 WT1 H ATOM 5568 H2 TIP3 841 54.096 5.087 51.088 1.00 0.00 WT1 H ATOM 5569 OH2 TIP3 842 30.233 82.869 66.674 1.00 0.00 WT1 O ATOM 5570 H1 TIP3 842 29.897 83.729 66.924 1.00 0.00 WT1 H ATOM 5571 H2 TIP3 842 30.776 83.038 65.904 1.00 0.00 WT1 H ATOM 5572 OH2 TIP3 843 60.965 86.055 -10.849 1.00 0.00 WT1 O ATOM 5573 H1 TIP3 843 61.913 86.037 -10.725 1.00 0.00 WT1 H ATOM 5574 H2 TIP3 843 60.670 85.185 -10.579 1.00 0.00 WT1 H ATOM 5575 OH2 TIP3 844 38.954 89.308 18.121 1.00 0.00 WT1 O ATOM 5576 H1 TIP3 844 38.403 88.533 18.235 1.00 0.00 WT1 H ATOM 5577 H2 TIP3 844 39.599 89.048 17.463 1.00 0.00 WT1 H ATOM 5578 OH2 TIP3 845 52.641 49.860 51.762 1.00 0.00 WT1 O ATOM 5579 H1 TIP3 845 53.579 50.001 51.634 1.00 0.00 WT1 H ATOM 5580 H2 TIP3 845 52.238 50.177 50.954 1.00 0.00 WT1 H ATOM 5581 OH2 TIP3 846 33.274 57.192 59.151 1.00 0.00 WT1 O ATOM 5582 H1 TIP3 846 32.963 57.005 60.037 1.00 0.00 WT1 H ATOM 5583 H2 TIP3 846 33.034 56.417 58.644 1.00 0.00 WT1 H ATOM 5584 OH2 TIP3 847 67.398 60.979 17.472 1.00 0.00 WT1 O ATOM 5585 H1 TIP3 847 67.313 60.540 18.318 1.00 0.00 WT1 H ATOM 5586 H2 TIP3 847 66.655 60.660 16.961 1.00 0.00 WT1 H ATOM 5587 OH2 TIP3 848 84.589 47.777 6.118 1.00 0.00 WT1 O ATOM 5588 H1 TIP3 848 83.656 47.921 6.277 1.00 0.00 WT1 H ATOM 5589 H2 TIP3 848 84.616 47.185 5.366 1.00 0.00 WT1 H ATOM 5590 OH2 TIP3 849 55.404 3.170 38.431 1.00 0.00 WT1 O ATOM 5591 H1 TIP3 849 55.718 2.575 39.112 1.00 0.00 WT1 H ATOM 5592 H2 TIP3 849 54.797 3.755 38.886 1.00 0.00 WT1 H ATOM 5593 OH2 TIP3 850 73.520 74.071 -16.029 1.00 0.00 WT1 O ATOM 5594 H1 TIP3 850 72.721 73.549 -16.105 1.00 0.00 WT1 H ATOM 5595 H2 TIP3 850 73.806 73.940 -15.125 1.00 0.00 WT1 H ATOM 5596 OH2 TIP3 851 35.153 54.095 20.429 1.00 0.00 WT1 O ATOM 5597 H1 TIP3 851 35.781 54.075 21.152 1.00 0.00 WT1 H ATOM 5598 H2 TIP3 851 35.668 54.373 19.672 1.00 0.00 WT1 H ATOM 5599 OH2 TIP3 852 82.572 27.127 9.202 1.00 0.00 WT1 O ATOM 5600 H1 TIP3 852 82.694 26.260 8.816 1.00 0.00 WT1 H ATOM 5601 H2 TIP3 852 82.952 27.730 8.562 1.00 0.00 WT1 H ATOM 5602 OH2 TIP3 853 67.082 18.229 26.276 1.00 0.00 WT1 O ATOM 5603 H1 TIP3 853 67.011 17.278 26.198 1.00 0.00 WT1 H ATOM 5604 H2 TIP3 853 66.201 18.517 26.514 1.00 0.00 WT1 H ATOM 5605 OH2 TIP3 854 45.769 4.943 65.090 1.00 0.00 WT1 O ATOM 5606 H1 TIP3 854 44.997 4.388 65.197 1.00 0.00 WT1 H ATOM 5607 H2 TIP3 854 46.508 4.363 65.272 1.00 0.00 WT1 H ATOM 5608 OH2 TIP3 855 54.993 68.473 29.231 1.00 0.00 WT1 O ATOM 5609 H1 TIP3 855 54.690 69.091 28.567 1.00 0.00 WT1 H ATOM 5610 H2 TIP3 855 54.428 67.709 29.125 1.00 0.00 WT1 H ATOM 5611 OH2 TIP3 856 52.059 53.884 -0.759 1.00 0.00 WT1 O ATOM 5612 H1 TIP3 856 52.342 53.606 0.112 1.00 0.00 WT1 H ATOM 5613 H2 TIP3 856 51.180 54.238 -0.624 1.00 0.00 WT1 H ATOM 5614 OH2 TIP3 857 26.532 51.501 22.512 1.00 0.00 WT1 O ATOM 5615 H1 TIP3 857 26.829 50.937 23.226 1.00 0.00 WT1 H ATOM 5616 H2 TIP3 857 27.324 51.686 22.007 1.00 0.00 WT1 H ATOM 5617 OH2 TIP3 858 37.605 83.776 -4.215 1.00 0.00 WT1 O ATOM 5618 H1 TIP3 858 37.290 84.549 -3.747 1.00 0.00 WT1 H ATOM 5619 H2 TIP3 858 38.378 84.080 -4.689 1.00 0.00 WT1 H ATOM 5620 OH2 TIP3 859 83.517 33.327 64.267 1.00 0.00 WT1 O ATOM 5621 H1 TIP3 859 84.409 33.659 64.171 1.00 0.00 WT1 H ATOM 5622 H2 TIP3 859 82.974 34.113 64.327 1.00 0.00 WT1 H ATOM 5623 OH2 TIP3 860 66.302 64.546 1.609 1.00 0.00 WT1 O ATOM 5624 H1 TIP3 860 65.935 65.262 2.127 1.00 0.00 WT1 H ATOM 5625 H2 TIP3 860 65.975 64.699 0.722 1.00 0.00 WT1 H ATOM 5626 OH2 TIP3 861 42.402 75.944 19.869 1.00 0.00 WT1 O ATOM 5627 H1 TIP3 861 43.210 75.562 20.210 1.00 0.00 WT1 H ATOM 5628 H2 TIP3 861 41.714 75.340 20.148 1.00 0.00 WT1 H ATOM 5629 OH2 TIP3 862 40.752 91.006 21.838 1.00 0.00 WT1 O ATOM 5630 H1 TIP3 862 39.830 91.089 22.079 1.00 0.00 WT1 H ATOM 5631 H2 TIP3 862 41.125 91.870 22.013 1.00 0.00 WT1 H ATOM 5632 OH2 TIP3 863 57.565 28.355 60.709 1.00 0.00 WT1 O ATOM 5633 H1 TIP3 863 56.842 28.000 61.225 1.00 0.00 WT1 H ATOM 5634 H2 TIP3 863 57.157 29.011 60.142 1.00 0.00 WT1 H ATOM 5635 OH2 TIP3 864 37.593 36.710 63.114 1.00 0.00 WT1 O ATOM 5636 H1 TIP3 864 37.392 37.619 63.337 1.00 0.00 WT1 H ATOM 5637 H2 TIP3 864 38.542 36.697 62.993 1.00 0.00 WT1 H ATOM 5638 OH2 TIP3 865 42.717 31.774 35.199 1.00 0.00 WT1 O ATOM 5639 H1 TIP3 865 42.394 32.670 35.104 1.00 0.00 WT1 H ATOM 5640 H2 TIP3 865 43.607 31.875 35.537 1.00 0.00 WT1 H ATOM 5641 OH2 TIP3 866 80.352 94.015 29.651 1.00 0.00 WT1 O ATOM 5642 H1 TIP3 866 81.300 94.136 29.694 1.00 0.00 WT1 H ATOM 5643 H2 TIP3 866 80.011 94.530 30.383 1.00 0.00 WT1 H ATOM 5644 OH2 TIP3 867 78.391 0.397 59.525 1.00 0.00 WT1 O ATOM 5645 H1 TIP3 867 79.178 0.515 60.057 1.00 0.00 WT1 H ATOM 5646 H2 TIP3 867 77.825 -0.165 60.054 1.00 0.00 WT1 H ATOM 5647 OH2 TIP3 869 57.257 47.935 60.962 1.00 0.00 WT1 O ATOM 5648 H1 TIP3 869 58.028 47.654 61.456 1.00 0.00 WT1 H ATOM 5649 H2 TIP3 869 57.610 48.468 60.250 1.00 0.00 WT1 H ATOM 5650 OH2 TIP3 870 89.033 5.913 -13.799 1.00 0.00 WT1 O ATOM 5651 H1 TIP3 870 88.724 6.758 -13.471 1.00 0.00 WT1 H ATOM 5652 H2 TIP3 870 88.503 5.266 -13.333 1.00 0.00 WT1 H ATOM 5653 OH2 TIP3 871 40.218 68.030 57.753 1.00 0.00 WT1 O ATOM 5654 H1 TIP3 871 40.689 67.343 57.281 1.00 0.00 WT1 H ATOM 5655 H2 TIP3 871 40.380 67.839 58.677 1.00 0.00 WT1 H ATOM 5656 OH2 TIP3 872 48.387 37.293 65.953 1.00 0.00 WT1 O ATOM 5657 H1 TIP3 872 48.933 37.866 66.491 1.00 0.00 WT1 H ATOM 5658 H2 TIP3 872 47.551 37.753 65.884 1.00 0.00 WT1 H ATOM 5659 OH2 TIP3 873 55.753 57.271 9.814 1.00 0.00 WT1 O ATOM 5660 H1 TIP3 873 56.066 57.520 10.683 1.00 0.00 WT1 H ATOM 5661 H2 TIP3 873 56.487 56.800 9.420 1.00 0.00 WT1 H ATOM 5662 OH2 TIP3 874 29.010 66.554 41.394 1.00 0.00 WT1 O ATOM 5663 H1 TIP3 874 29.366 67.442 41.342 1.00 0.00 WT1 H ATOM 5664 H2 TIP3 874 28.167 66.607 40.943 1.00 0.00 WT1 H ATOM 5665 OH2 TIP3 875 36.163 63.717 5.920 1.00 0.00 WT1 O ATOM 5666 H1 TIP3 875 35.475 63.059 6.021 1.00 0.00 WT1 H ATOM 5667 H2 TIP3 875 36.700 63.626 6.707 1.00 0.00 WT1 H ATOM 5668 OH2 TIP3 876 31.686 61.821 37.462 1.00 0.00 WT1 O ATOM 5669 H1 TIP3 876 31.513 62.501 36.811 1.00 0.00 WT1 H ATOM 5670 H2 TIP3 876 32.570 62.011 37.778 1.00 0.00 WT1 H ATOM 5671 OH2 TIP3 877 29.931 33.033 49.041 1.00 0.00 WT1 O ATOM 5672 H1 TIP3 877 29.144 33.494 48.753 1.00 0.00 WT1 H ATOM 5673 H2 TIP3 877 30.428 33.689 49.530 1.00 0.00 WT1 H ATOM 5674 OH2 TIP3 878 58.307 7.260 31.922 1.00 0.00 WT1 O ATOM 5675 H1 TIP3 878 59.213 7.076 31.675 1.00 0.00 WT1 H ATOM 5676 H2 TIP3 878 57.786 6.906 31.201 1.00 0.00 WT1 H ATOM 5677 OH2 TIP3 880 82.733 55.312 23.241 1.00 0.00 WT1 O ATOM 5678 H1 TIP3 880 82.527 55.765 24.059 1.00 0.00 WT1 H ATOM 5679 H2 TIP3 880 81.894 55.245 22.785 1.00 0.00 WT1 H ATOM 5680 OH2 TIP3 881 78.735 49.633 62.532 1.00 0.00 WT1 O ATOM 5681 H1 TIP3 881 79.371 50.075 61.970 1.00 0.00 WT1 H ATOM 5682 H2 TIP3 881 79.266 49.195 63.197 1.00 0.00 WT1 H ATOM 5683 OH2 TIP3 883 53.120 82.105 -2.243 1.00 0.00 WT1 O ATOM 5684 H1 TIP3 883 52.989 82.513 -3.099 1.00 0.00 WT1 H ATOM 5685 H2 TIP3 883 53.926 82.500 -1.910 1.00 0.00 WT1 H ATOM 5686 OH2 TIP3 884 78.274 47.424 58.575 1.00 0.00 WT1 O ATOM 5687 H1 TIP3 884 77.932 47.011 57.782 1.00 0.00 WT1 H ATOM 5688 H2 TIP3 884 77.570 48.003 58.866 1.00 0.00 WT1 H ATOM 5689 OH2 TIP3 885 32.955 4.926 28.283 1.00 0.00 WT1 O ATOM 5690 H1 TIP3 885 32.388 5.104 27.533 1.00 0.00 WT1 H ATOM 5691 H2 TIP3 885 32.987 5.754 28.762 1.00 0.00 WT1 H ATOM 5692 OH2 TIP3 886 63.723 75.294 33.273 1.00 0.00 WT1 O ATOM 5693 H1 TIP3 886 64.580 74.894 33.417 1.00 0.00 WT1 H ATOM 5694 H2 TIP3 886 63.143 74.556 33.083 1.00 0.00 WT1 H ATOM 5695 OH2 TIP3 887 79.563 37.751 9.925 1.00 0.00 WT1 O ATOM 5696 H1 TIP3 887 78.718 37.335 10.097 1.00 0.00 WT1 H ATOM 5697 H2 TIP3 887 79.960 37.854 10.790 1.00 0.00 WT1 H ATOM 5698 OH2 TIP3 889 51.711 8.683 -9.185 1.00 0.00 WT1 O ATOM 5699 H1 TIP3 889 52.487 8.766 -9.740 1.00 0.00 WT1 H ATOM 5700 H2 TIP3 889 51.068 9.269 -9.584 1.00 0.00 WT1 H ATOM 5701 OH2 TIP3 890 52.270 30.207 -2.749 1.00 0.00 WT1 O ATOM 5702 H1 TIP3 890 51.492 30.229 -3.306 1.00 0.00 WT1 H ATOM 5703 H2 TIP3 890 52.065 30.799 -2.026 1.00 0.00 WT1 H ATOM 5704 OH2 TIP3 891 42.292 13.152 20.147 1.00 0.00 WT1 O ATOM 5705 H1 TIP3 891 43.206 13.244 20.414 1.00 0.00 WT1 H ATOM 5706 H2 TIP3 891 42.330 13.026 19.198 1.00 0.00 WT1 H ATOM 5707 OH2 TIP3 893 85.715 38.222 2.250 1.00 0.00 WT1 O ATOM 5708 H1 TIP3 893 85.603 37.503 1.629 1.00 0.00 WT1 H ATOM 5709 H2 TIP3 893 86.640 38.460 2.178 1.00 0.00 WT1 H ATOM 5710 OH2 TIP3 894 74.912 89.552 27.866 1.00 0.00 WT1 O ATOM 5711 H1 TIP3 894 74.758 90.244 28.509 1.00 0.00 WT1 H ATOM 5712 H2 TIP3 894 74.069 89.444 27.424 1.00 0.00 WT1 H ATOM 5713 OH2 TIP3 895 69.535 73.242 9.921 1.00 0.00 WT1 O ATOM 5714 H1 TIP3 895 69.640 73.775 10.709 1.00 0.00 WT1 H ATOM 5715 H2 TIP3 895 68.679 73.494 9.573 1.00 0.00 WT1 H ATOM 5716 OH2 TIP3 896 71.932 95.011 58.976 1.00 0.00 WT1 O ATOM 5717 H1 TIP3 896 71.673 94.332 58.354 1.00 0.00 WT1 H ATOM 5718 H2 TIP3 896 71.970 95.813 58.455 1.00 0.00 WT1 H ATOM 5719 OH2 TIP3 897 29.411 95.940 -18.487 1.00 0.00 WT1 O ATOM 5720 H1 TIP3 897 30.260 95.634 -18.804 1.00 0.00 WT1 H ATOM 5721 H2 TIP3 897 29.482 95.904 -17.534 1.00 0.00 WT1 H ATOM 5722 OH2 TIP3 898 40.084 39.414 -1.450 1.00 0.00 WT1 O ATOM 5723 H1 TIP3 898 40.413 39.139 -0.594 1.00 0.00 WT1 H ATOM 5724 H2 TIP3 898 40.866 39.683 -1.932 1.00 0.00 WT1 H ATOM 5725 OH2 TIP3 899 66.917 86.495 -3.932 1.00 0.00 WT1 O ATOM 5726 H1 TIP3 899 67.375 86.974 -3.241 1.00 0.00 WT1 H ATOM 5727 H2 TIP3 899 66.454 85.795 -3.472 1.00 0.00 WT1 H ATOM 5728 OH2 TIP3 900 51.519 31.522 20.362 1.00 0.00 WT1 O ATOM 5729 H1 TIP3 900 52.365 31.904 20.130 1.00 0.00 WT1 H ATOM 5730 H2 TIP3 900 50.879 32.042 19.877 1.00 0.00 WT1 H ATOM 5731 OH2 TIP3 901 42.426 84.943 57.466 1.00 0.00 WT1 O ATOM 5732 H1 TIP3 901 42.798 84.657 58.300 1.00 0.00 WT1 H ATOM 5733 H2 TIP3 901 42.734 84.297 56.831 1.00 0.00 WT1 H ATOM 5734 OH2 TIP3 902 50.233 86.110 64.670 1.00 0.00 WT1 O ATOM 5735 H1 TIP3 902 50.023 85.857 65.569 1.00 0.00 WT1 H ATOM 5736 H2 TIP3 902 49.629 86.827 64.475 1.00 0.00 WT1 H ATOM 5737 OH2 TIP3 903 21.865 78.549 58.697 1.00 0.00 WT1 O ATOM 5738 H1 TIP3 903 21.930 78.323 57.769 1.00 0.00 WT1 H ATOM 5739 H2 TIP3 903 21.005 78.959 58.784 1.00 0.00 WT1 H ATOM 5740 OH2 TIP3 904 66.609 70.916 23.597 1.00 0.00 WT1 O ATOM 5741 H1 TIP3 904 65.710 70.606 23.486 1.00 0.00 WT1 H ATOM 5742 H2 TIP3 904 67.137 70.119 23.618 1.00 0.00 WT1 H ATOM 5743 OH2 TIP3 905 64.166 60.730 -15.165 1.00 0.00 WT1 O ATOM 5744 H1 TIP3 905 64.279 60.234 -15.976 1.00 0.00 WT1 H ATOM 5745 H2 TIP3 905 64.847 61.401 -15.197 1.00 0.00 WT1 H ATOM 5746 OH2 TIP3 906 38.883 63.298 15.791 1.00 0.00 WT1 O ATOM 5747 H1 TIP3 906 39.600 63.701 16.281 1.00 0.00 WT1 H ATOM 5748 H2 TIP3 906 38.665 62.511 16.290 1.00 0.00 WT1 H ATOM 5749 OH2 TIP3 907 49.286 92.090 -5.394 1.00 0.00 WT1 O ATOM 5750 H1 TIP3 907 48.798 91.970 -6.208 1.00 0.00 WT1 H ATOM 5751 H2 TIP3 907 49.107 91.298 -4.888 1.00 0.00 WT1 H ATOM 5752 OH2 TIP3 908 30.143 1.073 18.692 1.00 0.00 WT1 O ATOM 5753 H1 TIP3 908 29.332 1.365 18.275 1.00 0.00 WT1 H ATOM 5754 H2 TIP3 908 30.221 0.152 18.446 1.00 0.00 WT1 H ATOM 5755 OH2 TIP3 909 48.859 42.401 56.985 1.00 0.00 WT1 O ATOM 5756 H1 TIP3 909 49.608 42.261 57.566 1.00 0.00 WT1 H ATOM 5757 H2 TIP3 909 48.484 43.233 57.274 1.00 0.00 WT1 H ATOM 5758 OH2 TIP3 910 77.680 21.226 -18.911 1.00 0.00 WT1 O ATOM 5759 H1 TIP3 910 76.849 21.053 -18.468 1.00 0.00 WT1 H ATOM 5760 H2 TIP3 910 77.449 21.801 -19.640 1.00 0.00 WT1 H ATOM 5761 OH2 TIP3 911 37.048 5.007 -13.290 1.00 0.00 WT1 O ATOM 5762 H1 TIP3 911 36.402 4.677 -13.915 1.00 0.00 WT1 H ATOM 5763 H2 TIP3 911 37.691 5.466 -13.830 1.00 0.00 WT1 H ATOM 5764 OH2 TIP3 912 45.249 24.132 65.424 1.00 0.00 WT1 O ATOM 5765 H1 TIP3 912 46.077 24.339 64.991 1.00 0.00 WT1 H ATOM 5766 H2 TIP3 912 44.682 23.817 64.720 1.00 0.00 WT1 H ATOM 5767 OH2 TIP3 913 29.823 34.396 -6.508 1.00 0.00 WT1 O ATOM 5768 H1 TIP3 913 29.381 34.943 -5.859 1.00 0.00 WT1 H ATOM 5769 H2 TIP3 913 29.218 34.367 -7.249 1.00 0.00 WT1 H ATOM 5770 OH2 TIP3 914 73.228 65.659 -10.231 1.00 0.00 WT1 O ATOM 5771 H1 TIP3 914 72.563 65.058 -10.568 1.00 0.00 WT1 H ATOM 5772 H2 TIP3 914 73.689 65.155 -9.560 1.00 0.00 WT1 H ATOM 5773 OH2 TIP3 915 49.703 15.276 8.993 1.00 0.00 WT1 O ATOM 5774 H1 TIP3 915 48.847 14.848 8.954 1.00 0.00 WT1 H ATOM 5775 H2 TIP3 915 49.556 16.058 9.525 1.00 0.00 WT1 H ATOM 5776 OH2 TIP3 916 75.660 80.012 8.058 1.00 0.00 WT1 O ATOM 5777 H1 TIP3 916 75.997 79.154 7.799 1.00 0.00 WT1 H ATOM 5778 H2 TIP3 916 76.440 80.516 8.292 1.00 0.00 WT1 H ATOM 5779 OH2 TIP3 917 82.078 9.289 63.601 1.00 0.00 WT1 O ATOM 5780 H1 TIP3 917 82.611 9.511 62.837 1.00 0.00 WT1 H ATOM 5781 H2 TIP3 917 81.626 8.483 63.351 1.00 0.00 WT1 H ATOM 5782 OH2 TIP3 918 32.835 3.904 49.914 1.00 0.00 WT1 O ATOM 5783 H1 TIP3 918 32.947 3.302 49.178 1.00 0.00 WT1 H ATOM 5784 H2 TIP3 918 31.947 4.245 49.812 1.00 0.00 WT1 H ATOM 5785 OH2 TIP3 919 28.827 89.209 51.231 1.00 0.00 WT1 O ATOM 5786 H1 TIP3 919 29.564 88.957 50.674 1.00 0.00 WT1 H ATOM 5787 H2 TIP3 919 29.216 89.357 52.093 1.00 0.00 WT1 H ATOM 5788 OH2 TIP3 921 57.912 58.198 38.798 1.00 0.00 WT1 O ATOM 5789 H1 TIP3 921 57.566 58.665 38.037 1.00 0.00 WT1 H ATOM 5790 H2 TIP3 921 57.631 57.292 38.670 1.00 0.00 WT1 H ATOM 5791 OH2 TIP3 922 62.740 31.302 60.248 1.00 0.00 WT1 O ATOM 5792 H1 TIP3 922 61.950 30.793 60.064 1.00 0.00 WT1 H ATOM 5793 H2 TIP3 922 62.508 31.841 61.004 1.00 0.00 WT1 H ATOM 5794 OH2 TIP3 923 85.216 78.082 63.863 1.00 0.00 WT1 O ATOM 5795 H1 TIP3 923 84.607 78.790 64.073 1.00 0.00 WT1 H ATOM 5796 H2 TIP3 923 86.020 78.312 64.329 1.00 0.00 WT1 H ATOM 5797 OH2 TIP3 924 88.312 57.500 8.911 1.00 0.00 WT1 O ATOM 5798 H1 TIP3 924 88.885 58.147 8.500 1.00 0.00 WT1 H ATOM 5799 H2 TIP3 924 87.429 57.846 8.783 1.00 0.00 WT1 H ATOM 5800 OH2 TIP3 925 33.364 91.381 63.158 1.00 0.00 WT1 O ATOM 5801 H1 TIP3 925 32.799 91.708 63.858 1.00 0.00 WT1 H ATOM 5802 H2 TIP3 925 33.183 91.956 62.415 1.00 0.00 WT1 H ATOM 5803 OH2 TIP3 926 28.166 68.411 57.632 1.00 0.00 WT1 O ATOM 5804 H1 TIP3 926 28.518 69.159 57.150 1.00 0.00 WT1 H ATOM 5805 H2 TIP3 926 27.919 67.783 56.953 1.00 0.00 WT1 H ATOM 5806 OH2 TIP3 927 67.274 2.582 10.660 1.00 0.00 WT1 O ATOM 5807 H1 TIP3 927 67.377 2.047 9.873 1.00 0.00 WT1 H ATOM 5808 H2 TIP3 927 67.926 3.275 10.566 1.00 0.00 WT1 H ATOM 5809 OH2 TIP3 928 38.806 36.298 26.842 1.00 0.00 WT1 O ATOM 5810 H1 TIP3 928 38.777 37.193 27.182 1.00 0.00 WT1 H ATOM 5811 H2 TIP3 928 39.602 36.269 26.311 1.00 0.00 WT1 H ATOM 5812 OH2 TIP3 929 26.184 44.957 7.669 1.00 0.00 WT1 O ATOM 5813 H1 TIP3 929 26.616 45.808 7.592 1.00 0.00 WT1 H ATOM 5814 H2 TIP3 929 25.249 45.162 7.672 1.00 0.00 WT1 H ATOM 5815 OH2 TIP3 930 21.341 2.300 -11.189 1.00 0.00 WT1 O ATOM 5816 H1 TIP3 930 22.292 2.264 -11.086 1.00 0.00 WT1 H ATOM 5817 H2 TIP3 930 21.032 1.457 -10.856 1.00 0.00 WT1 H ATOM 5818 OH2 TIP3 931 58.858 39.453 -0.777 1.00 0.00 WT1 O ATOM 5819 H1 TIP3 931 57.982 39.810 -0.927 1.00 0.00 WT1 H ATOM 5820 H2 TIP3 931 59.036 39.636 0.146 1.00 0.00 WT1 H ATOM 5821 OH2 TIP3 932 38.576 24.076 -0.493 1.00 0.00 WT1 O ATOM 5822 H1 TIP3 932 38.238 24.668 0.179 1.00 0.00 WT1 H ATOM 5823 H2 TIP3 932 37.973 23.333 -0.483 1.00 0.00 WT1 H ATOM 5824 OH2 TIP3 933 37.090 47.352 61.107 1.00 0.00 WT1 O ATOM 5825 H1 TIP3 933 37.607 46.569 61.299 1.00 0.00 WT1 H ATOM 5826 H2 TIP3 933 36.221 47.017 60.886 1.00 0.00 WT1 H ATOM 5827 OH2 TIP3 934 39.441 67.239 19.340 1.00 0.00 WT1 O ATOM 5828 H1 TIP3 934 40.058 67.455 18.641 1.00 0.00 WT1 H ATOM 5829 H2 TIP3 934 39.991 67.101 20.112 1.00 0.00 WT1 H ATOM 5830 OH2 TIP3 935 77.436 80.033 57.790 1.00 0.00 WT1 O ATOM 5831 H1 TIP3 935 76.545 79.927 58.121 1.00 0.00 WT1 H ATOM 5832 H2 TIP3 935 77.592 79.247 57.266 1.00 0.00 WT1 H ATOM 5833 OH2 TIP3 936 56.598 30.008 28.918 1.00 0.00 WT1 O ATOM 5834 H1 TIP3 936 55.802 29.830 29.419 1.00 0.00 WT1 H ATOM 5835 H2 TIP3 936 56.355 29.830 28.010 1.00 0.00 WT1 H ATOM 5836 OH2 TIP3 937 71.232 21.195 49.501 1.00 0.00 WT1 O ATOM 5837 H1 TIP3 937 70.558 20.743 50.008 1.00 0.00 WT1 H ATOM 5838 H2 TIP3 937 71.524 21.906 50.071 1.00 0.00 WT1 H ATOM 5839 OH2 TIP3 938 90.430 29.886 -3.802 1.00 0.00 WT1 O ATOM 5840 H1 TIP3 938 89.824 30.122 -4.505 1.00 0.00 WT1 H ATOM 5841 H2 TIP3 938 90.662 30.720 -3.394 1.00 0.00 WT1 H ATOM 5842 OH2 TIP3 939 23.593 76.162 22.492 1.00 0.00 WT1 O ATOM 5843 H1 TIP3 939 24.385 76.210 23.028 1.00 0.00 WT1 H ATOM 5844 H2 TIP3 939 23.067 75.475 22.902 1.00 0.00 WT1 H ATOM 5845 OH2 TIP3 940 33.570 51.355 19.548 1.00 0.00 WT1 O ATOM 5846 H1 TIP3 940 33.922 51.960 18.895 1.00 0.00 WT1 H ATOM 5847 H2 TIP3 940 34.167 50.607 19.528 1.00 0.00 WT1 H ATOM 5848 OH2 TIP3 941 46.254 25.483 39.100 1.00 0.00 WT1 O ATOM 5849 H1 TIP3 941 46.215 25.568 40.052 1.00 0.00 WT1 H ATOM 5850 H2 TIP3 941 45.866 26.293 38.770 1.00 0.00 WT1 H ATOM 5851 OH2 TIP3 942 52.589 70.931 -14.361 1.00 0.00 WT1 O ATOM 5852 H1 TIP3 942 52.042 70.151 -14.451 1.00 0.00 WT1 H ATOM 5853 H2 TIP3 942 52.052 71.642 -14.711 1.00 0.00 WT1 H ATOM 5854 OH2 TIP3 943 70.352 94.535 40.999 1.00 0.00 WT1 O ATOM 5855 H1 TIP3 943 69.676 95.207 40.912 1.00 0.00 WT1 H ATOM 5856 H2 TIP3 943 69.983 93.902 41.616 1.00 0.00 WT1 H ATOM 5857 OH2 TIP3 944 57.667 15.722 53.210 1.00 0.00 WT1 O ATOM 5858 H1 TIP3 944 57.313 15.172 53.909 1.00 0.00 WT1 H ATOM 5859 H2 TIP3 944 58.283 16.306 53.653 1.00 0.00 WT1 H ATOM 5860 OH2 TIP3 945 38.042 76.853 25.347 1.00 0.00 WT1 O ATOM 5861 H1 TIP3 945 37.786 76.734 24.433 1.00 0.00 WT1 H ATOM 5862 H2 TIP3 945 38.924 77.222 25.304 1.00 0.00 WT1 H ATOM 5863 OH2 TIP3 946 52.538 62.285 56.640 1.00 0.00 WT1 O ATOM 5864 H1 TIP3 946 52.012 61.782 56.019 1.00 0.00 WT1 H ATOM 5865 H2 TIP3 946 53.437 62.000 56.479 1.00 0.00 WT1 H ATOM 5866 OH2 TIP3 947 80.370 73.776 -18.597 1.00 0.00 WT1 O ATOM 5867 H1 TIP3 947 80.510 74.204 -19.441 1.00 0.00 WT1 H ATOM 5868 H2 TIP3 947 80.061 72.898 -18.821 1.00 0.00 WT1 H ATOM 5869 OH2 TIP3 948 68.695 55.204 57.138 1.00 0.00 WT1 O ATOM 5870 H1 TIP3 948 68.128 55.475 57.859 1.00 0.00 WT1 H ATOM 5871 H2 TIP3 948 68.166 55.339 56.352 1.00 0.00 WT1 H ATOM 5872 OH2 TIP3 949 63.985 87.481 -4.237 1.00 0.00 WT1 O ATOM 5873 H1 TIP3 949 64.876 87.185 -4.427 1.00 0.00 WT1 H ATOM 5874 H2 TIP3 949 63.794 88.121 -4.923 1.00 0.00 WT1 H ATOM 5875 OH2 TIP3 950 34.281 71.573 19.439 1.00 0.00 WT1 O ATOM 5876 H1 TIP3 950 34.212 71.056 20.242 1.00 0.00 WT1 H ATOM 5877 H2 TIP3 950 35.217 71.583 19.240 1.00 0.00 WT1 H ATOM 5878 OH2 TIP3 951 78.208 46.800 -9.163 1.00 0.00 WT1 O ATOM 5879 H1 TIP3 951 78.575 47.535 -9.654 1.00 0.00 WT1 H ATOM 5880 H2 TIP3 951 78.007 47.164 -8.301 1.00 0.00 WT1 H ATOM 5881 OH2 TIP3 952 36.998 6.140 4.951 1.00 0.00 WT1 O ATOM 5882 H1 TIP3 952 36.522 5.447 5.407 1.00 0.00 WT1 H ATOM 5883 H2 TIP3 952 37.554 6.533 5.624 1.00 0.00 WT1 H ATOM 5884 OH2 TIP3 953 43.726 39.012 30.356 1.00 0.00 WT1 O ATOM 5885 H1 TIP3 953 44.508 39.545 30.497 1.00 0.00 WT1 H ATOM 5886 H2 TIP3 953 44.042 38.243 29.881 1.00 0.00 WT1 H ATOM 5887 OH2 TIP3 954 47.256 46.877 -12.415 1.00 0.00 WT1 O ATOM 5888 H1 TIP3 954 47.570 46.465 -11.610 1.00 0.00 WT1 H ATOM 5889 H2 TIP3 954 47.330 47.817 -12.249 1.00 0.00 WT1 H ATOM 5890 OH2 TIP3 955 68.130 55.261 49.037 1.00 0.00 WT1 O ATOM 5891 H1 TIP3 955 67.184 55.117 49.059 1.00 0.00 WT1 H ATOM 5892 H2 TIP3 955 68.508 54.411 49.260 1.00 0.00 WT1 H ATOM 5893 OH2 TIP3 956 40.280 11.527 40.728 1.00 0.00 WT1 O ATOM 5894 H1 TIP3 956 40.660 10.844 40.174 1.00 0.00 WT1 H ATOM 5895 H2 TIP3 956 39.621 11.945 40.174 1.00 0.00 WT1 H ATOM 5896 OH2 TIP3 957 53.287 3.417 47.093 1.00 0.00 WT1 O ATOM 5897 H1 TIP3 957 53.523 2.497 46.977 1.00 0.00 WT1 H ATOM 5898 H2 TIP3 957 52.995 3.701 46.227 1.00 0.00 WT1 H ATOM 5899 OH2 TIP3 958 54.947 7.772 3.177 1.00 0.00 WT1 O ATOM 5900 H1 TIP3 958 54.686 7.507 2.294 1.00 0.00 WT1 H ATOM 5901 H2 TIP3 958 54.351 7.296 3.755 1.00 0.00 WT1 H ATOM 5902 OH2 TIP3 959 58.143 19.969 13.837 1.00 0.00 WT1 O ATOM 5903 H1 TIP3 959 57.306 20.251 14.205 1.00 0.00 WT1 H ATOM 5904 H2 TIP3 959 58.156 19.021 13.966 1.00 0.00 WT1 H ATOM 5905 OH2 TIP3 960 71.848 68.693 65.999 1.00 0.00 WT1 O ATOM 5906 H1 TIP3 960 71.893 69.644 66.093 1.00 0.00 WT1 H ATOM 5907 H2 TIP3 960 71.847 68.363 66.898 1.00 0.00 WT1 H ATOM 5908 OH2 TIP3 961 23.512 15.275 35.884 1.00 0.00 WT1 O ATOM 5909 H1 TIP3 961 24.235 14.830 36.325 1.00 0.00 WT1 H ATOM 5910 H2 TIP3 961 22.955 15.591 36.595 1.00 0.00 WT1 H ATOM 5911 OH2 TIP3 962 66.145 82.629 25.761 1.00 0.00 WT1 O ATOM 5912 H1 TIP3 962 65.795 81.762 25.967 1.00 0.00 WT1 H ATOM 5913 H2 TIP3 962 67.095 82.511 25.770 1.00 0.00 WT1 H ATOM 5914 OH2 TIP3 963 50.374 87.236 -11.351 1.00 0.00 WT1 O ATOM 5915 H1 TIP3 963 49.867 88.048 -11.366 1.00 0.00 WT1 H ATOM 5916 H2 TIP3 963 49.773 86.572 -11.687 1.00 0.00 WT1 H ATOM 5917 OH2 TIP3 964 49.262 91.919 58.870 1.00 0.00 WT1 O ATOM 5918 H1 TIP3 964 49.719 92.004 59.707 1.00 0.00 WT1 H ATOM 5919 H2 TIP3 964 49.957 91.956 58.213 1.00 0.00 WT1 H ATOM 5920 OH2 TIP3 965 32.406 0.836 28.715 1.00 0.00 WT1 O ATOM 5921 H1 TIP3 965 32.832 1.403 29.358 1.00 0.00 WT1 H ATOM 5922 H2 TIP3 965 32.775 1.107 27.875 1.00 0.00 WT1 H ATOM 5923 OH2 TIP3 966 70.041 66.010 26.585 1.00 0.00 WT1 O ATOM 5924 H1 TIP3 966 69.845 66.910 26.327 1.00 0.00 WT1 H ATOM 5925 H2 TIP3 966 69.412 65.478 26.097 1.00 0.00 WT1 H ATOM 5926 OH2 TIP3 967 52.009 19.687 53.418 1.00 0.00 WT1 O ATOM 5927 H1 TIP3 967 51.309 20.155 52.964 1.00 0.00 WT1 H ATOM 5928 H2 TIP3 967 52.420 19.152 52.739 1.00 0.00 WT1 H ATOM 5929 OH2 TIP3 968 84.164 43.066 10.737 1.00 0.00 WT1 O ATOM 5930 H1 TIP3 968 85.094 42.845 10.676 1.00 0.00 WT1 H ATOM 5931 H2 TIP3 968 83.914 42.804 11.623 1.00 0.00 WT1 H ATOM 5932 OH2 TIP3 969 27.039 31.443 -16.709 1.00 0.00 WT1 O ATOM 5933 H1 TIP3 969 27.630 31.613 -17.443 1.00 0.00 WT1 H ATOM 5934 H2 TIP3 969 27.203 32.162 -16.098 1.00 0.00 WT1 H ATOM 5935 OH2 TIP3 970 35.490 17.380 20.642 1.00 0.00 WT1 O ATOM 5936 H1 TIP3 970 36.429 17.225 20.742 1.00 0.00 WT1 H ATOM 5937 H2 TIP3 970 35.395 18.330 20.710 1.00 0.00 WT1 H ATOM 5938 OH2 TIP3 971 86.183 29.646 42.738 1.00 0.00 WT1 O ATOM 5939 H1 TIP3 971 85.602 30.334 42.412 1.00 0.00 WT1 H ATOM 5940 H2 TIP3 971 87.004 30.097 42.933 1.00 0.00 WT1 H ATOM 5941 OH2 TIP3 972 37.360 31.756 12.047 1.00 0.00 WT1 O ATOM 5942 H1 TIP3 972 37.858 32.135 12.772 1.00 0.00 WT1 H ATOM 5943 H2 TIP3 972 36.542 32.252 12.034 1.00 0.00 WT1 H ATOM 5944 OH2 TIP3 973 33.713 52.711 12.944 1.00 0.00 WT1 O ATOM 5945 H1 TIP3 973 34.611 52.926 12.689 1.00 0.00 WT1 H ATOM 5946 H2 TIP3 973 33.226 53.525 12.814 1.00 0.00 WT1 H ATOM 5947 OH2 TIP3 974 71.519 22.355 -5.922 1.00 0.00 WT1 O ATOM 5948 H1 TIP3 974 71.241 23.271 -5.951 1.00 0.00 WT1 H ATOM 5949 H2 TIP3 974 71.251 22.051 -5.055 1.00 0.00 WT1 H ATOM 5950 OH2 TIP3 975 67.888 92.691 15.934 1.00 0.00 WT1 O ATOM 5951 H1 TIP3 975 68.191 91.801 16.116 1.00 0.00 WT1 H ATOM 5952 H2 TIP3 975 66.968 92.690 16.199 1.00 0.00 WT1 H ATOM 5953 OH2 TIP3 976 69.134 57.440 64.383 1.00 0.00 WT1 O ATOM 5954 H1 TIP3 976 68.886 57.864 63.562 1.00 0.00 WT1 H ATOM 5955 H2 TIP3 976 69.815 56.815 64.134 1.00 0.00 WT1 H ATOM 5956 OH2 TIP3 977 37.962 17.031 37.812 1.00 0.00 WT1 O ATOM 5957 H1 TIP3 977 38.724 16.473 37.654 1.00 0.00 WT1 H ATOM 5958 H2 TIP3 977 37.233 16.419 37.913 1.00 0.00 WT1 H ATOM 5959 OH2 TIP3 978 35.468 89.999 32.131 1.00 0.00 WT1 O ATOM 5960 H1 TIP3 978 36.100 89.350 31.820 1.00 0.00 WT1 H ATOM 5961 H2 TIP3 978 35.004 89.559 32.844 1.00 0.00 WT1 H ATOM 5962 OH2 TIP3 979 27.421 38.052 11.222 1.00 0.00 WT1 O ATOM 5963 H1 TIP3 979 27.496 39.004 11.291 1.00 0.00 WT1 H ATOM 5964 H2 TIP3 979 28.285 37.725 11.475 1.00 0.00 WT1 H ATOM 5965 OH2 TIP3 980 42.631 23.453 61.145 1.00 0.00 WT1 O ATOM 5966 H1 TIP3 980 41.890 24.057 61.210 1.00 0.00 WT1 H ATOM 5967 H2 TIP3 980 43.165 23.806 60.433 1.00 0.00 WT1 H ATOM 5968 OH2 TIP3 982 59.979 92.164 -18.700 1.00 0.00 WT1 O ATOM 5969 H1 TIP3 982 59.482 91.916 -17.920 1.00 0.00 WT1 H ATOM 5970 H2 TIP3 982 59.825 93.104 -18.793 1.00 0.00 WT1 H ATOM 5971 OH2 TIP3 983 36.054 87.817 48.695 1.00 0.00 WT1 O ATOM 5972 H1 TIP3 983 36.452 87.386 47.939 1.00 0.00 WT1 H ATOM 5973 H2 TIP3 983 36.674 88.505 48.933 1.00 0.00 WT1 H ATOM 5974 OH2 TIP3 984 23.067 66.388 -0.159 1.00 0.00 WT1 O ATOM 5975 H1 TIP3 984 23.532 67.099 0.283 1.00 0.00 WT1 H ATOM 5976 H2 TIP3 984 23.362 66.437 -1.068 1.00 0.00 WT1 H ATOM 5977 OH2 TIP3 985 89.068 22.550 40.052 1.00 0.00 WT1 O ATOM 5978 H1 TIP3 985 88.970 23.458 39.766 1.00 0.00 WT1 H ATOM 5979 H2 TIP3 985 89.653 22.156 39.405 1.00 0.00 WT1 H ATOM 5980 OH2 TIP3 986 69.041 59.190 31.458 1.00 0.00 WT1 O ATOM 5981 H1 TIP3 986 68.696 59.263 32.348 1.00 0.00 WT1 H ATOM 5982 H2 TIP3 986 68.448 58.581 31.019 1.00 0.00 WT1 H ATOM 5983 OH2 TIP3 988 64.090 44.871 52.269 1.00 0.00 WT1 O ATOM 5984 H1 TIP3 988 63.635 45.229 51.507 1.00 0.00 WT1 H ATOM 5985 H2 TIP3 988 63.753 43.979 52.353 1.00 0.00 WT1 H ATOM 5986 OH2 TIP3 989 88.947 10.807 8.349 1.00 0.00 WT1 O ATOM 5987 H1 TIP3 989 88.741 9.877 8.251 1.00 0.00 WT1 H ATOM 5988 H2 TIP3 989 88.157 11.260 8.056 1.00 0.00 WT1 H ATOM 5989 OH2 TIP3 990 60.402 22.939 61.311 1.00 0.00 WT1 O ATOM 5990 H1 TIP3 990 59.527 22.993 60.926 1.00 0.00 WT1 H ATOM 5991 H2 TIP3 990 60.852 23.723 60.997 1.00 0.00 WT1 H ATOM 5992 OH2 TIP3 991 47.268 85.755 34.031 1.00 0.00 WT1 O ATOM 5993 H1 TIP3 991 46.380 86.052 33.835 1.00 0.00 WT1 H ATOM 5994 H2 TIP3 991 47.148 84.927 34.497 1.00 0.00 WT1 H ATOM 5995 OH2 TIP3 992 38.296 12.814 -11.632 1.00 0.00 WT1 O ATOM 5996 H1 TIP3 992 37.504 13.063 -12.107 1.00 0.00 WT1 H ATOM 5997 H2 TIP3 992 38.046 12.856 -10.709 1.00 0.00 WT1 H ATOM 5998 OH2 TIP3 994 24.115 53.583 8.060 1.00 0.00 WT1 O ATOM 5999 H1 TIP3 994 23.858 54.417 7.668 1.00 0.00 WT1 H ATOM 6000 H2 TIP3 994 23.295 53.202 8.375 1.00 0.00 WT1 H ATOM 6001 OH2 TIP3 995 72.698 16.822 45.242 1.00 0.00 WT1 O ATOM 6002 H1 TIP3 995 72.617 16.796 44.288 1.00 0.00 WT1 H ATOM 6003 H2 TIP3 995 73.231 16.057 45.458 1.00 0.00 WT1 H ATOM 6004 OH2 TIP3 996 56.169 39.892 -18.177 1.00 0.00 WT1 O ATOM 6005 H1 TIP3 996 56.890 40.125 -17.593 1.00 0.00 WT1 H ATOM 6006 H2 TIP3 996 55.521 40.585 -18.046 1.00 0.00 WT1 H ATOM 6007 OH2 TIP3 997 52.022 80.956 -11.542 1.00 0.00 WT1 O ATOM 6008 H1 TIP3 997 52.453 80.116 -11.383 1.00 0.00 WT1 H ATOM 6009 H2 TIP3 997 51.302 80.747 -12.136 1.00 0.00 WT1 H ATOM 6010 OH2 TIP3 999 49.354 94.321 12.549 1.00 0.00 WT1 O ATOM 6011 H1 TIP3 999 48.844 94.272 11.741 1.00 0.00 WT1 H ATOM 6012 H2 TIP3 999 49.293 95.239 12.816 1.00 0.00 WT1 H ATOM 6013 OH2 TIP3 1000 83.098 25.346 -7.033 1.00 0.00 WT1 O ATOM 6014 H1 TIP3 1000 83.481 24.706 -6.434 1.00 0.00 WT1 H ATOM 6015 H2 TIP3 1000 83.827 25.620 -7.590 1.00 0.00 WT1 H ATOM 6016 OH2 TIP3 1001 34.491 35.621 -17.603 1.00 0.00 WT1 O ATOM 6017 H1 TIP3 1001 35.232 35.521 -17.005 1.00 0.00 WT1 H ATOM 6018 H2 TIP3 1001 34.767 35.173 -18.403 1.00 0.00 WT1 H ATOM 6019 OH2 TIP3 1002 87.406 49.584 33.783 1.00 0.00 WT1 O ATOM 6020 H1 TIP3 1002 86.810 49.686 33.041 1.00 0.00 WT1 H ATOM 6021 H2 TIP3 1002 87.422 48.641 33.951 1.00 0.00 WT1 H ATOM 6022 OH2 TIP3 1003 77.807 38.099 29.352 1.00 0.00 WT1 O ATOM 6023 H1 TIP3 1003 78.263 37.544 29.984 1.00 0.00 WT1 H ATOM 6024 H2 TIP3 1003 77.262 38.676 29.888 1.00 0.00 WT1 H ATOM 6025 OH2 TIP3 1004 46.632 19.458 20.475 1.00 0.00 WT1 O ATOM 6026 H1 TIP3 1004 46.084 19.408 21.259 1.00 0.00 WT1 H ATOM 6027 H2 TIP3 1004 46.921 20.370 20.443 1.00 0.00 WT1 H ATOM 6028 OH2 TIP3 1005 38.101 39.102 12.468 1.00 0.00 WT1 O ATOM 6029 H1 TIP3 1005 38.832 39.569 12.062 1.00 0.00 WT1 H ATOM 6030 H2 TIP3 1005 38.252 39.192 13.409 1.00 0.00 WT1 H ATOM 6031 OH2 TIP3 1006 34.226 80.247 64.473 1.00 0.00 WT1 O ATOM 6032 H1 TIP3 1006 34.431 79.341 64.702 1.00 0.00 WT1 H ATOM 6033 H2 TIP3 1006 33.984 80.212 63.547 1.00 0.00 WT1 H ATOM 6034 OH2 TIP3 1007 80.862 47.021 -5.200 1.00 0.00 WT1 O ATOM 6035 H1 TIP3 1007 80.778 47.871 -4.767 1.00 0.00 WT1 H ATOM 6036 H2 TIP3 1007 81.591 47.134 -5.810 1.00 0.00 WT1 H ATOM 6037 OH2 TIP3 1008 77.053 12.277 45.801 1.00 0.00 WT1 O ATOM 6038 H1 TIP3 1008 77.923 12.224 46.198 1.00 0.00 WT1 H ATOM 6039 H2 TIP3 1008 76.466 11.912 46.463 1.00 0.00 WT1 H ATOM 6040 OH2 TIP3 1009 83.522 87.638 52.643 1.00 0.00 WT1 O ATOM 6041 H1 TIP3 1009 82.937 87.146 53.219 1.00 0.00 WT1 H ATOM 6042 H2 TIP3 1009 83.246 87.398 51.758 1.00 0.00 WT1 H ATOM 6043 OH2 TIP3 1010 23.889 66.587 50.745 1.00 0.00 WT1 O ATOM 6044 H1 TIP3 1010 23.611 66.924 49.894 1.00 0.00 WT1 H ATOM 6045 H2 TIP3 1010 24.659 67.109 50.970 1.00 0.00 WT1 H ATOM 6046 OH2 TIP3 1011 60.347 46.988 -10.685 1.00 0.00 WT1 O ATOM 6047 H1 TIP3 1011 60.337 47.875 -10.326 1.00 0.00 WT1 H ATOM 6048 H2 TIP3 1011 59.689 46.515 -10.176 1.00 0.00 WT1 H ATOM 6049 OH2 TIP3 1012 43.563 84.000 18.053 1.00 0.00 WT1 O ATOM 6050 H1 TIP3 1012 44.378 84.000 17.550 1.00 0.00 WT1 H ATOM 6051 H2 TIP3 1012 43.173 83.144 17.877 1.00 0.00 WT1 H ATOM 6052 OH2 TIP3 1013 57.606 94.671 14.541 1.00 0.00 WT1 O ATOM 6053 H1 TIP3 1013 58.291 95.298 14.771 1.00 0.00 WT1 H ATOM 6054 H2 TIP3 1013 56.787 95.128 14.735 1.00 0.00 WT1 H ATOM 6055 OH2 TIP3 1014 22.911 80.673 14.610 1.00 0.00 WT1 O ATOM 6056 H1 TIP3 1014 23.813 80.418 14.805 1.00 0.00 WT1 H ATOM 6057 H2 TIP3 1014 22.577 81.022 15.437 1.00 0.00 WT1 H ATOM 6058 OH2 TIP3 1015 63.238 28.737 9.635 1.00 0.00 WT1 O ATOM 6059 H1 TIP3 1015 62.770 29.505 9.309 1.00 0.00 WT1 H ATOM 6060 H2 TIP3 1015 62.747 27.992 9.289 1.00 0.00 WT1 H ATOM 6061 OH2 TIP3 1016 21.366 20.237 35.120 1.00 0.00 WT1 O ATOM 6062 H1 TIP3 1016 21.343 19.382 34.690 1.00 0.00 WT1 H ATOM 6063 H2 TIP3 1016 21.767 20.819 34.475 1.00 0.00 WT1 H ATOM 6064 OH2 TIP3 1017 57.097 85.808 37.754 1.00 0.00 WT1 O ATOM 6065 H1 TIP3 1017 58.027 85.862 37.974 1.00 0.00 WT1 H ATOM 6066 H2 TIP3 1017 56.951 84.884 37.552 1.00 0.00 WT1 H ATOM 6067 OH2 TIP3 1018 27.357 60.774 -12.394 1.00 0.00 WT1 O ATOM 6068 H1 TIP3 1018 26.976 61.426 -12.982 1.00 0.00 WT1 H ATOM 6069 H2 TIP3 1018 27.873 60.207 -12.966 1.00 0.00 WT1 H ATOM 6070 OH2 TIP3 1020 24.745 90.004 62.048 1.00 0.00 WT1 O ATOM 6071 H1 TIP3 1020 24.961 90.859 61.676 1.00 0.00 WT1 H ATOM 6072 H2 TIP3 1020 25.347 89.396 61.619 1.00 0.00 WT1 H ATOM 6073 OH2 TIP3 1021 37.647 64.198 13.707 1.00 0.00 WT1 O ATOM 6074 H1 TIP3 1021 38.116 63.866 12.942 1.00 0.00 WT1 H ATOM 6075 H2 TIP3 1021 38.186 63.934 14.452 1.00 0.00 WT1 H ATOM 6076 OH2 TIP3 1022 36.268 72.376 -13.565 1.00 0.00 WT1 O ATOM 6077 H1 TIP3 1022 37.150 72.413 -13.194 1.00 0.00 WT1 H ATOM 6078 H2 TIP3 1022 36.152 71.460 -13.818 1.00 0.00 WT1 H ATOM 6079 OH2 TIP3 1023 76.728 29.452 13.048 1.00 0.00 WT1 O ATOM 6080 H1 TIP3 1023 75.978 29.802 13.527 1.00 0.00 WT1 H ATOM 6081 H2 TIP3 1023 76.446 29.442 12.134 1.00 0.00 WT1 H ATOM 6082 OH2 TIP3 1025 34.045 90.082 51.127 1.00 0.00 WT1 O ATOM 6083 H1 TIP3 1025 34.384 90.065 50.232 1.00 0.00 WT1 H ATOM 6084 H2 TIP3 1025 33.731 89.191 51.281 1.00 0.00 WT1 H ATOM 6085 OH2 TIP3 1026 32.842 88.907 66.927 1.00 0.00 WT1 O ATOM 6086 H1 TIP3 1026 33.482 89.402 67.439 1.00 0.00 WT1 H ATOM 6087 H2 TIP3 1026 33.189 88.917 66.035 1.00 0.00 WT1 H ATOM 6088 OH2 TIP3 1027 80.643 88.351 -9.353 1.00 0.00 WT1 O ATOM 6089 H1 TIP3 1027 80.316 88.441 -8.458 1.00 0.00 WT1 H ATOM 6090 H2 TIP3 1027 79.921 88.654 -9.903 1.00 0.00 WT1 H ATOM 6091 OH2 TIP3 1028 26.988 43.433 14.751 1.00 0.00 WT1 O ATOM 6092 H1 TIP3 1028 26.908 44.378 14.625 1.00 0.00 WT1 H ATOM 6093 H2 TIP3 1028 27.914 43.295 14.953 1.00 0.00 WT1 H ATOM 6094 OH2 TIP3 1029 28.255 31.750 62.389 1.00 0.00 WT1 O ATOM 6095 H1 TIP3 1029 28.559 32.357 63.064 1.00 0.00 WT1 H ATOM 6096 H2 TIP3 1029 27.570 32.230 61.924 1.00 0.00 WT1 H ATOM 6097 OH2 TIP3 1030 41.577 5.043 -3.172 1.00 0.00 WT1 O ATOM 6098 H1 TIP3 1030 41.924 5.925 -3.307 1.00 0.00 WT1 H ATOM 6099 H2 TIP3 1030 41.997 4.513 -3.850 1.00 0.00 WT1 H ATOM 6100 OH2 TIP3 1031 66.459 32.356 31.428 1.00 0.00 WT1 O ATOM 6101 H1 TIP3 1031 65.800 32.154 30.763 1.00 0.00 WT1 H ATOM 6102 H2 TIP3 1031 66.788 31.501 31.706 1.00 0.00 WT1 H ATOM 6103 OH2 TIP3 1032 39.330 94.087 22.012 1.00 0.00 WT1 O ATOM 6104 H1 TIP3 1032 39.195 94.477 22.876 1.00 0.00 WT1 H ATOM 6105 H2 TIP3 1032 38.540 93.569 21.857 1.00 0.00 WT1 H ATOM 6106 OH2 TIP3 1033 54.744 86.421 -13.181 1.00 0.00 WT1 O ATOM 6107 H1 TIP3 1033 54.442 85.599 -12.795 1.00 0.00 WT1 H ATOM 6108 H2 TIP3 1033 55.691 86.309 -13.272 1.00 0.00 WT1 H ATOM 6109 OH2 TIP3 1034 28.864 39.832 44.084 1.00 0.00 WT1 O ATOM 6110 H1 TIP3 1034 29.254 40.481 43.499 1.00 0.00 WT1 H ATOM 6111 H2 TIP3 1034 27.925 39.883 43.908 1.00 0.00 WT1 H ATOM 6112 OH2 TIP3 1035 41.238 32.629 30.331 1.00 0.00 WT1 O ATOM 6113 H1 TIP3 1035 40.873 33.114 31.071 1.00 0.00 WT1 H ATOM 6114 H2 TIP3 1035 42.093 33.032 30.179 1.00 0.00 WT1 H ATOM 6115 OH2 TIP3 1036 76.784 56.692 19.786 1.00 0.00 WT1 O ATOM 6116 H1 TIP3 1036 76.949 56.455 20.698 1.00 0.00 WT1 H ATOM 6117 H2 TIP3 1036 76.865 57.646 19.767 1.00 0.00 WT1 H ATOM 6118 OH2 TIP3 1037 62.579 51.680 65.534 1.00 0.00 WT1 O ATOM 6119 H1 TIP3 1037 62.788 50.747 65.491 1.00 0.00 WT1 H ATOM 6120 H2 TIP3 1037 61.676 51.710 65.851 1.00 0.00 WT1 H ATOM 6121 OH2 TIP3 1038 35.744 54.624 45.367 1.00 0.00 WT1 O ATOM 6122 H1 TIP3 1038 36.056 55.004 44.545 1.00 0.00 WT1 H ATOM 6123 H2 TIP3 1038 36.542 54.411 45.851 1.00 0.00 WT1 H ATOM 6124 OH2 TIP3 1039 44.162 45.605 45.895 1.00 0.00 WT1 O ATOM 6125 H1 TIP3 1039 44.906 45.010 45.808 1.00 0.00 WT1 H ATOM 6126 H2 TIP3 1039 44.056 45.987 45.023 1.00 0.00 WT1 H ATOM 6127 OH2 TIP3 1040 56.267 7.107 9.910 1.00 0.00 WT1 O ATOM 6128 H1 TIP3 1040 55.599 6.932 10.573 1.00 0.00 WT1 H ATOM 6129 H2 TIP3 1040 56.017 7.950 9.534 1.00 0.00 WT1 H ATOM 6130 OH2 TIP3 1041 56.711 30.965 16.017 1.00 0.00 WT1 O ATOM 6131 H1 TIP3 1041 57.035 31.837 15.793 1.00 0.00 WT1 H ATOM 6132 H2 TIP3 1041 55.813 31.113 16.315 1.00 0.00 WT1 H ATOM 6133 OH2 TIP3 1042 70.227 36.096 33.989 1.00 0.00 WT1 O ATOM 6134 H1 TIP3 1042 70.932 36.576 33.554 1.00 0.00 WT1 H ATOM 6135 H2 TIP3 1042 69.474 36.685 33.947 1.00 0.00 WT1 H ATOM 6136 OH2 TIP3 1043 30.755 67.894 37.288 1.00 0.00 WT1 O ATOM 6137 H1 TIP3 1043 30.984 67.254 36.614 1.00 0.00 WT1 H ATOM 6138 H2 TIP3 1043 31.597 68.235 37.590 1.00 0.00 WT1 H ATOM 6139 OH2 TIP3 1044 30.547 89.165 31.072 1.00 0.00 WT1 O ATOM 6140 H1 TIP3 1044 30.275 89.123 30.155 1.00 0.00 WT1 H ATOM 6141 H2 TIP3 1044 29.757 88.946 31.567 1.00 0.00 WT1 H ATOM 6142 OH2 TIP3 1045 89.110 77.038 27.024 1.00 0.00 WT1 O ATOM 6143 H1 TIP3 1045 88.909 76.114 26.873 1.00 0.00 WT1 H ATOM 6144 H2 TIP3 1045 90.064 77.069 27.088 1.00 0.00 WT1 H ATOM 6145 OH2 TIP3 1046 39.502 20.111 46.111 1.00 0.00 WT1 O ATOM 6146 H1 TIP3 1046 39.904 20.466 45.318 1.00 0.00 WT1 H ATOM 6147 H2 TIP3 1046 39.029 19.334 45.814 1.00 0.00 WT1 H ATOM 6148 OH2 TIP3 1047 90.411 54.746 41.794 1.00 0.00 WT1 O ATOM 6149 H1 TIP3 1047 91.136 54.257 41.404 1.00 0.00 WT1 H ATOM 6150 H2 TIP3 1047 90.193 54.260 42.589 1.00 0.00 WT1 H ATOM 6151 OH2 TIP3 1048 89.816 53.848 20.646 1.00 0.00 WT1 O ATOM 6152 H1 TIP3 1048 89.934 52.925 20.424 1.00 0.00 WT1 H ATOM 6153 H2 TIP3 1048 89.325 54.211 19.909 1.00 0.00 WT1 H ATOM 6154 OH2 TIP3 1049 80.158 81.762 32.342 1.00 0.00 WT1 O ATOM 6155 H1 TIP3 1049 79.874 82.145 33.172 1.00 0.00 WT1 H ATOM 6156 H2 TIP3 1049 79.920 82.413 31.683 1.00 0.00 WT1 H ATOM 6157 OH2 TIP3 1050 72.849 46.904 10.860 1.00 0.00 WT1 O ATOM 6158 H1 TIP3 1050 73.686 47.273 11.143 1.00 0.00 WT1 H ATOM 6159 H2 TIP3 1050 72.463 46.545 11.658 1.00 0.00 WT1 H ATOM 6160 OH2 TIP3 1051 88.591 57.317 5.552 1.00 0.00 WT1 O ATOM 6161 H1 TIP3 1051 87.923 57.973 5.750 1.00 0.00 WT1 H ATOM 6162 H2 TIP3 1051 88.377 56.576 6.119 1.00 0.00 WT1 H ATOM 6163 OH2 TIP3 1052 24.874 53.432 -15.458 1.00 0.00 WT1 O ATOM 6164 H1 TIP3 1052 24.450 52.588 -15.303 1.00 0.00 WT1 H ATOM 6165 H2 TIP3 1052 24.152 54.034 -15.638 1.00 0.00 WT1 H ATOM 6166 OH2 TIP3 1053 20.782 20.391 8.190 1.00 0.00 WT1 O ATOM 6167 H1 TIP3 1053 21.301 20.182 8.966 1.00 0.00 WT1 H ATOM 6168 H2 TIP3 1053 21.128 19.816 7.508 1.00 0.00 WT1 H ATOM 6169 OH2 TIP3 1054 90.730 71.424 -15.735 1.00 0.00 WT1 O ATOM 6170 H1 TIP3 1054 90.215 70.920 -16.365 1.00 0.00 WT1 H ATOM 6171 H2 TIP3 1054 90.286 71.287 -14.898 1.00 0.00 WT1 H ATOM 6172 OH2 TIP3 1055 58.283 59.237 -13.061 1.00 0.00 WT1 O ATOM 6173 H1 TIP3 1055 58.462 58.909 -12.180 1.00 0.00 WT1 H ATOM 6174 H2 TIP3 1055 57.648 58.619 -13.423 1.00 0.00 WT1 H ATOM 6175 OH2 TIP3 1056 54.917 35.234 14.467 1.00 0.00 WT1 O ATOM 6176 H1 TIP3 1056 54.313 34.494 14.524 1.00 0.00 WT1 H ATOM 6177 H2 TIP3 1056 54.955 35.581 15.359 1.00 0.00 WT1 H ATOM 6178 OH2 TIP3 1057 73.715 45.488 5.487 1.00 0.00 WT1 O ATOM 6179 H1 TIP3 1057 73.387 44.604 5.650 1.00 0.00 WT1 H ATOM 6180 H2 TIP3 1057 74.046 45.782 6.335 1.00 0.00 WT1 H ATOM 6181 OH2 TIP3 1058 85.604 30.760 64.153 1.00 0.00 WT1 O ATOM 6182 H1 TIP3 1058 86.135 31.146 63.456 1.00 0.00 WT1 H ATOM 6183 H2 TIP3 1058 84.700 30.899 63.871 1.00 0.00 WT1 H ATOM 6184 OH2 TIP3 1059 34.697 32.443 11.404 1.00 0.00 WT1 O ATOM 6185 H1 TIP3 1059 33.863 32.397 10.936 1.00 0.00 WT1 H ATOM 6186 H2 TIP3 1059 35.045 33.309 11.188 1.00 0.00 WT1 H ATOM 6187 OH2 TIP3 1060 21.023 61.477 38.501 1.00 0.00 WT1 O ATOM 6188 H1 TIP3 1060 20.689 62.170 39.071 1.00 0.00 WT1 H ATOM 6189 H2 TIP3 1060 20.889 61.810 37.614 1.00 0.00 WT1 H ATOM 6190 OH2 TIP3 1061 28.852 6.081 22.946 1.00 0.00 WT1 O ATOM 6191 H1 TIP3 1061 28.354 6.898 22.938 1.00 0.00 WT1 H ATOM 6192 H2 TIP3 1061 28.187 5.393 22.936 1.00 0.00 WT1 H ATOM 6193 OH2 TIP3 1062 27.729 17.317 57.462 1.00 0.00 WT1 O ATOM 6194 H1 TIP3 1062 27.316 17.332 58.326 1.00 0.00 WT1 H ATOM 6195 H2 TIP3 1062 27.353 18.069 57.005 1.00 0.00 WT1 H ATOM 6196 OH2 TIP3 1063 56.774 59.072 66.491 1.00 0.00 WT1 O ATOM 6197 H1 TIP3 1063 56.826 58.120 66.403 1.00 0.00 WT1 H ATOM 6198 H2 TIP3 1063 55.910 59.232 66.870 1.00 0.00 WT1 H ATOM 6199 OH2 TIP3 1064 27.706 47.761 37.488 1.00 0.00 WT1 O ATOM 6200 H1 TIP3 1064 28.648 47.622 37.389 1.00 0.00 WT1 H ATOM 6201 H2 TIP3 1064 27.462 48.298 36.734 1.00 0.00 WT1 H ATOM 6202 OH2 TIP3 1065 27.830 58.685 33.157 1.00 0.00 WT1 O ATOM 6203 H1 TIP3 1065 28.392 58.192 32.560 1.00 0.00 WT1 H ATOM 6204 H2 TIP3 1065 26.941 58.515 32.847 1.00 0.00 WT1 H ATOM 6205 OH2 TIP3 1066 32.777 58.406 1.028 1.00 0.00 WT1 O ATOM 6206 H1 TIP3 1066 33.569 58.939 1.106 1.00 0.00 WT1 H ATOM 6207 H2 TIP3 1066 32.087 58.942 1.419 1.00 0.00 WT1 H ATOM 6208 OH2 TIP3 1067 56.867 24.383 5.609 1.00 0.00 WT1 O ATOM 6209 H1 TIP3 1067 57.674 24.891 5.692 1.00 0.00 WT1 H ATOM 6210 H2 TIP3 1067 56.218 25.013 5.296 1.00 0.00 WT1 H ATOM 6211 OH2 TIP3 1068 83.676 25.766 59.209 1.00 0.00 WT1 O ATOM 6212 H1 TIP3 1068 83.005 25.359 58.660 1.00 0.00 WT1 H ATOM 6213 H2 TIP3 1068 83.301 25.760 60.090 1.00 0.00 WT1 H ATOM 6214 OH2 TIP3 1069 41.184 50.097 46.632 1.00 0.00 WT1 O ATOM 6215 H1 TIP3 1069 42.060 50.356 46.348 1.00 0.00 WT1 H ATOM 6216 H2 TIP3 1069 41.202 50.192 47.584 1.00 0.00 WT1 H ATOM 6217 OH2 TIP3 1070 61.983 2.266 -2.140 1.00 0.00 WT1 O ATOM 6218 H1 TIP3 1070 62.661 2.786 -2.571 1.00 0.00 WT1 H ATOM 6219 H2 TIP3 1070 62.386 1.978 -1.321 1.00 0.00 WT1 H ATOM 6220 OH2 TIP3 1071 47.328 9.257 -17.204 1.00 0.00 WT1 O ATOM 6221 H1 TIP3 1071 47.095 9.651 -16.363 1.00 0.00 WT1 H ATOM 6222 H2 TIP3 1071 48.202 8.894 -17.065 1.00 0.00 WT1 H ATOM 6223 OH2 TIP3 1072 39.009 12.510 -3.560 1.00 0.00 WT1 O ATOM 6224 H1 TIP3 1072 38.438 12.626 -2.801 1.00 0.00 WT1 H ATOM 6225 H2 TIP3 1072 38.419 12.556 -4.313 1.00 0.00 WT1 H ATOM 6226 OH2 TIP3 1073 38.801 31.484 55.308 1.00 0.00 WT1 O ATOM 6227 H1 TIP3 1073 39.357 31.077 54.643 1.00 0.00 WT1 H ATOM 6228 H2 TIP3 1073 38.513 30.756 55.859 1.00 0.00 WT1 H ATOM 6229 OH2 TIP3 1074 77.225 31.040 65.865 1.00 0.00 WT1 O ATOM 6230 H1 TIP3 1074 77.922 31.371 65.298 1.00 0.00 WT1 H ATOM 6231 H2 TIP3 1074 76.474 31.601 65.675 1.00 0.00 WT1 H ATOM 6232 OH2 TIP3 1076 24.639 64.463 3.806 1.00 0.00 WT1 O ATOM 6233 H1 TIP3 1076 25.572 64.248 3.825 1.00 0.00 WT1 H ATOM 6234 H2 TIP3 1076 24.566 65.260 4.331 1.00 0.00 WT1 H ATOM 6235 OH2 TIP3 1077 72.052 15.129 -16.334 1.00 0.00 WT1 O ATOM 6236 H1 TIP3 1077 72.875 14.972 -16.795 1.00 0.00 WT1 H ATOM 6237 H2 TIP3 1077 72.281 15.740 -15.634 1.00 0.00 WT1 H ATOM 6238 OH2 TIP3 1078 47.240 70.757 -1.867 1.00 0.00 WT1 O ATOM 6239 H1 TIP3 1078 48.107 70.641 -1.478 1.00 0.00 WT1 H ATOM 6240 H2 TIP3 1078 46.852 71.481 -1.376 1.00 0.00 WT1 H ATOM 6241 OH2 TIP3 1080 49.350 55.255 8.634 1.00 0.00 WT1 O ATOM 6242 H1 TIP3 1080 49.756 54.694 9.294 1.00 0.00 WT1 H ATOM 6243 H2 TIP3 1080 49.859 56.066 8.662 1.00 0.00 WT1 H ATOM 6244 OH2 TIP3 1081 70.698 61.555 -2.627 1.00 0.00 WT1 O ATOM 6245 H1 TIP3 1081 70.841 61.158 -1.767 1.00 0.00 WT1 H ATOM 6246 H2 TIP3 1081 70.455 60.821 -3.192 1.00 0.00 WT1 H ATOM 6247 OH2 TIP3 1084 24.187 18.704 13.201 1.00 0.00 WT1 O ATOM 6248 H1 TIP3 1084 24.484 17.892 12.789 1.00 0.00 WT1 H ATOM 6249 H2 TIP3 1084 23.724 18.418 13.988 1.00 0.00 WT1 H ATOM 6250 OH2 TIP3 1085 81.494 41.795 14.853 1.00 0.00 WT1 O ATOM 6251 H1 TIP3 1085 81.124 41.426 15.655 1.00 0.00 WT1 H ATOM 6252 H2 TIP3 1085 80.748 41.874 14.258 1.00 0.00 WT1 H ATOM 6253 OH2 TIP3 1086 31.651 36.799 58.692 1.00 0.00 WT1 O ATOM 6254 H1 TIP3 1086 31.104 37.568 58.532 1.00 0.00 WT1 H ATOM 6255 H2 TIP3 1086 32.346 36.858 58.036 1.00 0.00 WT1 H ATOM 6256 OH2 TIP3 1087 59.835 27.523 43.442 1.00 0.00 WT1 O ATOM 6257 H1 TIP3 1087 59.713 27.638 44.384 1.00 0.00 WT1 H ATOM 6258 H2 TIP3 1087 59.421 28.293 43.051 1.00 0.00 WT1 H ATOM 6259 OH2 TIP3 1088 40.341 21.943 52.238 1.00 0.00 WT1 O ATOM 6260 H1 TIP3 1088 39.661 22.616 52.244 1.00 0.00 WT1 H ATOM 6261 H2 TIP3 1088 40.489 21.760 51.310 1.00 0.00 WT1 H ATOM 6262 OH2 TIP3 1089 75.002 66.731 56.104 1.00 0.00 WT1 O ATOM 6263 H1 TIP3 1089 74.082 66.663 56.358 1.00 0.00 WT1 H ATOM 6264 H2 TIP3 1089 75.265 65.832 55.909 1.00 0.00 WT1 H ATOM 6265 OH2 TIP3 1090 42.077 17.326 52.792 1.00 0.00 WT1 O ATOM 6266 H1 TIP3 1090 41.439 17.405 52.082 1.00 0.00 WT1 H ATOM 6267 H2 TIP3 1090 42.288 18.230 53.026 1.00 0.00 WT1 H ATOM 6268 OH2 TIP3 1091 34.000 42.314 21.628 1.00 0.00 WT1 O ATOM 6269 H1 TIP3 1091 33.204 41.801 21.486 1.00 0.00 WT1 H ATOM 6270 H2 TIP3 1091 34.197 42.693 20.772 1.00 0.00 WT1 H ATOM 6271 OH2 TIP3 1092 80.796 92.263 46.643 1.00 0.00 WT1 O ATOM 6272 H1 TIP3 1092 81.098 92.725 45.860 1.00 0.00 WT1 H ATOM 6273 H2 TIP3 1092 81.486 92.411 47.290 1.00 0.00 WT1 H ATOM 6274 OH2 TIP3 1093 50.006 44.100 12.802 1.00 0.00 WT1 O ATOM 6275 H1 TIP3 1093 50.936 44.187 12.590 1.00 0.00 WT1 H ATOM 6276 H2 TIP3 1093 49.955 44.293 13.738 1.00 0.00 WT1 H ATOM 6277 OH2 TIP3 1094 76.673 13.505 -18.060 1.00 0.00 WT1 O ATOM 6278 H1 TIP3 1094 76.394 12.829 -18.677 1.00 0.00 WT1 H ATOM 6279 H2 TIP3 1094 77.282 13.057 -17.472 1.00 0.00 WT1 H ATOM 6280 OH2 TIP3 1095 90.742 48.548 -4.967 1.00 0.00 WT1 O ATOM 6281 H1 TIP3 1095 90.856 49.191 -5.668 1.00 0.00 WT1 H ATOM 6282 H2 TIP3 1095 90.007 48.007 -5.255 1.00 0.00 WT1 H ATOM 6283 OH2 TIP3 1096 51.997 67.012 46.766 1.00 0.00 WT1 O ATOM 6284 H1 TIP3 1096 51.606 66.695 47.579 1.00 0.00 WT1 H ATOM 6285 H2 TIP3 1096 52.225 66.218 46.283 1.00 0.00 WT1 H ATOM 6286 OH2 TIP3 1097 33.522 34.690 45.979 1.00 0.00 WT1 O ATOM 6287 H1 TIP3 1097 33.009 33.979 45.594 1.00 0.00 WT1 H ATOM 6288 H2 TIP3 1097 34.257 34.251 46.407 1.00 0.00 WT1 H ATOM 6289 OH2 TIP3 1098 74.674 10.316 56.961 1.00 0.00 WT1 O ATOM 6290 H1 TIP3 1098 74.861 9.421 57.244 1.00 0.00 WT1 H ATOM 6291 H2 TIP3 1098 75.076 10.383 56.095 1.00 0.00 WT1 H ATOM 6292 OH2 TIP3 1099 22.622 7.653 0.957 1.00 0.00 WT1 O ATOM 6293 H1 TIP3 1099 22.513 7.731 0.009 1.00 0.00 WT1 H ATOM 6294 H2 TIP3 1099 22.032 8.313 1.322 1.00 0.00 WT1 H ATOM 6295 OH2 TIP3 1100 33.470 4.755 -2.277 1.00 0.00 WT1 O ATOM 6296 H1 TIP3 1100 34.333 4.910 -2.662 1.00 0.00 WT1 H ATOM 6297 H2 TIP3 1100 33.620 4.787 -1.332 1.00 0.00 WT1 H ATOM 6298 OH2 TIP3 1101 56.118 50.397 -18.869 1.00 0.00 WT1 O ATOM 6299 H1 TIP3 1101 56.066 50.943 -18.085 1.00 0.00 WT1 H ATOM 6300 H2 TIP3 1101 55.792 49.542 -18.588 1.00 0.00 WT1 H ATOM 6301 OH2 TIP3 1102 46.422 95.956 -4.085 1.00 0.00 WT1 O ATOM 6302 H1 TIP3 1102 46.780 95.121 -3.784 1.00 0.00 WT1 H ATOM 6303 H2 TIP3 1102 45.604 96.056 -3.598 1.00 0.00 WT1 H ATOM 6304 OH2 TIP3 1103 38.742 68.201 27.725 1.00 0.00 WT1 O ATOM 6305 H1 TIP3 1103 39.584 68.327 27.288 1.00 0.00 WT1 H ATOM 6306 H2 TIP3 1103 38.955 67.711 28.519 1.00 0.00 WT1 H ATOM 6307 OH2 TIP3 1104 37.842 67.531 65.342 1.00 0.00 WT1 O ATOM 6308 H1 TIP3 1104 38.737 67.206 65.242 1.00 0.00 WT1 H ATOM 6309 H2 TIP3 1104 37.476 67.501 64.458 1.00 0.00 WT1 H ATOM 6310 OH2 TIP3 1105 63.527 28.222 34.084 1.00 0.00 WT1 O ATOM 6311 H1 TIP3 1105 62.788 28.822 34.184 1.00 0.00 WT1 H ATOM 6312 H2 TIP3 1105 63.403 27.570 34.774 1.00 0.00 WT1 H ATOM 6313 OH2 TIP3 1106 79.300 19.729 66.341 1.00 0.00 WT1 O ATOM 6314 H1 TIP3 1106 78.699 20.075 65.681 1.00 0.00 WT1 H ATOM 6315 H2 TIP3 1106 78.892 19.952 67.177 1.00 0.00 WT1 H ATOM 6316 OH2 TIP3 1107 90.786 65.528 22.335 1.00 0.00 WT1 O ATOM 6317 H1 TIP3 1107 91.116 64.697 21.994 1.00 0.00 WT1 H ATOM 6318 H2 TIP3 1107 90.016 65.719 21.800 1.00 0.00 WT1 H ATOM 6319 OH2 TIP3 1108 88.713 12.773 37.830 1.00 0.00 WT1 O ATOM 6320 H1 TIP3 1108 89.642 12.814 38.060 1.00 0.00 WT1 H ATOM 6321 H2 TIP3 1108 88.411 13.679 37.892 1.00 0.00 WT1 H ATOM 6322 OH2 TIP3 1109 75.216 18.529 42.207 1.00 0.00 WT1 O ATOM 6323 H1 TIP3 1109 74.993 18.916 41.361 1.00 0.00 WT1 H ATOM 6324 H2 TIP3 1109 74.430 18.047 42.466 1.00 0.00 WT1 H ATOM 6325 OH2 TIP3 1110 36.956 95.751 48.158 1.00 0.00 WT1 O ATOM 6326 H1 TIP3 1110 36.276 96.254 47.711 1.00 0.00 WT1 H ATOM 6327 H2 TIP3 1110 37.663 95.680 47.517 1.00 0.00 WT1 H ATOM 6328 OH2 TIP3 1111 23.695 40.458 43.706 1.00 0.00 WT1 O ATOM 6329 H1 TIP3 1111 23.016 40.883 44.229 1.00 0.00 WT1 H ATOM 6330 H2 TIP3 1111 23.249 39.720 43.289 1.00 0.00 WT1 H ATOM 6331 OH2 TIP3 1112 53.582 87.512 -18.395 1.00 0.00 WT1 O ATOM 6332 H1 TIP3 1112 53.104 86.808 -17.957 1.00 0.00 WT1 H ATOM 6333 H2 TIP3 1112 53.961 87.097 -19.170 1.00 0.00 WT1 H ATOM 6334 OH2 TIP3 1113 47.523 26.723 58.049 1.00 0.00 WT1 O ATOM 6335 H1 TIP3 1113 46.907 27.313 57.615 1.00 0.00 WT1 H ATOM 6336 H2 TIP3 1113 48.045 27.294 58.612 1.00 0.00 WT1 H ATOM 6337 OH2 TIP3 1114 52.297 37.806 -19.083 1.00 0.00 WT1 O ATOM 6338 H1 TIP3 1114 53.043 37.690 -19.671 1.00 0.00 WT1 H ATOM 6339 H2 TIP3 1114 52.053 36.917 -18.826 1.00 0.00 WT1 H ATOM 6340 OH2 TIP3 1115 33.108 0.162 31.931 1.00 0.00 WT1 O ATOM 6341 H1 TIP3 1115 32.532 0.440 32.644 1.00 0.00 WT1 H ATOM 6342 H2 TIP3 1115 33.270 0.960 31.429 1.00 0.00 WT1 H ATOM 6343 OH2 TIP3 1116 78.934 42.942 47.576 1.00 0.00 WT1 O ATOM 6344 H1 TIP3 1116 79.201 43.856 47.473 1.00 0.00 WT1 H ATOM 6345 H2 TIP3 1116 78.018 42.990 47.849 1.00 0.00 WT1 H ATOM 6346 OH2 TIP3 1117 45.788 6.116 31.725 1.00 0.00 WT1 O ATOM 6347 H1 TIP3 1117 45.588 5.839 32.620 1.00 0.00 WT1 H ATOM 6348 H2 TIP3 1117 46.744 6.130 31.686 1.00 0.00 WT1 H ATOM 6349 OH2 TIP3 1118 64.794 42.556 55.853 1.00 0.00 WT1 O ATOM 6350 H1 TIP3 1118 64.409 43.426 55.750 1.00 0.00 WT1 H ATOM 6351 H2 TIP3 1118 64.682 42.352 56.782 1.00 0.00 WT1 H ATOM 6352 OH2 TIP3 1119 43.544 11.193 2.004 1.00 0.00 WT1 O ATOM 6353 H1 TIP3 1119 43.231 11.628 2.797 1.00 0.00 WT1 H ATOM 6354 H2 TIP3 1119 44.021 11.873 1.529 1.00 0.00 WT1 H ATOM 6355 OH2 TIP3 1120 73.114 3.455 47.114 1.00 0.00 WT1 O ATOM 6356 H1 TIP3 1120 72.435 2.809 47.310 1.00 0.00 WT1 H ATOM 6357 H2 TIP3 1120 73.812 2.950 46.696 1.00 0.00 WT1 H ATOM 6358 OH2 TIP3 1121 88.312 25.781 60.042 1.00 0.00 WT1 O ATOM 6359 H1 TIP3 1121 88.588 25.813 60.958 1.00 0.00 WT1 H ATOM 6360 H2 TIP3 1121 89.130 25.724 59.547 1.00 0.00 WT1 H ATOM 6361 OH2 TIP3 1122 58.754 81.774 -3.237 1.00 0.00 WT1 O ATOM 6362 H1 TIP3 1122 58.522 82.028 -4.130 1.00 0.00 WT1 H ATOM 6363 H2 TIP3 1122 58.078 81.146 -2.982 1.00 0.00 WT1 H ATOM 6364 OH2 TIP3 1123 87.644 40.620 0.172 1.00 0.00 WT1 O ATOM 6365 H1 TIP3 1123 87.584 40.395 1.100 1.00 0.00 WT1 H ATOM 6366 H2 TIP3 1123 86.860 41.142 -0.000 1.00 0.00 WT1 H ATOM 6367 OH2 TIP3 1124 64.165 10.204 47.110 1.00 0.00 WT1 O ATOM 6368 H1 TIP3 1124 65.100 10.002 47.157 1.00 0.00 WT1 H ATOM 6369 H2 TIP3 1124 63.731 9.356 47.206 1.00 0.00 WT1 H ATOM 6370 OH2 TIP3 1125 85.242 56.281 42.219 1.00 0.00 WT1 O ATOM 6371 H1 TIP3 1125 85.557 56.946 41.606 1.00 0.00 WT1 H ATOM 6372 H2 TIP3 1125 84.656 56.755 42.808 1.00 0.00 WT1 H ATOM 6373 OH2 TIP3 1126 28.129 90.369 -15.207 1.00 0.00 WT1 O ATOM 6374 H1 TIP3 1126 28.641 91.066 -15.617 1.00 0.00 WT1 H ATOM 6375 H2 TIP3 1126 28.522 90.260 -14.341 1.00 0.00 WT1 H ATOM 6376 OH2 TIP3 1129 77.872 21.217 -8.386 1.00 0.00 WT1 O ATOM 6377 H1 TIP3 1129 77.062 21.266 -7.878 1.00 0.00 WT1 H ATOM 6378 H2 TIP3 1129 77.804 21.934 -9.016 1.00 0.00 WT1 H ATOM 6379 OH2 TIP3 1130 71.458 12.976 44.356 1.00 0.00 WT1 O ATOM 6380 H1 TIP3 1130 71.095 13.340 43.549 1.00 0.00 WT1 H ATOM 6381 H2 TIP3 1130 71.833 12.135 44.093 1.00 0.00 WT1 H ATOM 6382 OH2 TIP3 1131 56.668 17.016 -19.122 1.00 0.00 WT1 O ATOM 6383 H1 TIP3 1131 56.711 17.455 -18.272 1.00 0.00 WT1 H ATOM 6384 H2 TIP3 1131 56.567 16.088 -18.908 1.00 0.00 WT1 H ATOM 6385 OH2 TIP3 1132 47.608 46.084 43.191 1.00 0.00 WT1 O ATOM 6386 H1 TIP3 1132 47.580 45.729 42.303 1.00 0.00 WT1 H ATOM 6387 H2 TIP3 1132 48.151 46.869 43.118 1.00 0.00 WT1 H ATOM 6388 OH2 TIP3 1133 44.555 33.602 41.650 1.00 0.00 WT1 O ATOM 6389 H1 TIP3 1133 45.500 33.457 41.600 1.00 0.00 WT1 H ATOM 6390 H2 TIP3 1133 44.449 34.262 42.334 1.00 0.00 WT1 H ATOM 6391 OH2 TIP3 1134 89.425 52.214 -14.029 1.00 0.00 WT1 O ATOM 6392 H1 TIP3 1134 89.249 52.250 -14.969 1.00 0.00 WT1 H ATOM 6393 H2 TIP3 1134 89.984 51.445 -13.919 1.00 0.00 WT1 H ATOM 6394 OH2 TIP3 1135 50.326 77.559 13.391 1.00 0.00 WT1 O ATOM 6395 H1 TIP3 1135 50.481 76.763 13.900 1.00 0.00 WT1 H ATOM 6396 H2 TIP3 1135 51.162 78.025 13.414 1.00 0.00 WT1 H ATOM 6397 OH2 TIP3 1136 22.177 70.999 54.661 1.00 0.00 WT1 O ATOM 6398 H1 TIP3 1136 21.356 70.685 55.040 1.00 0.00 WT1 H ATOM 6399 H2 TIP3 1136 22.337 70.415 53.919 1.00 0.00 WT1 H ATOM 6400 OH2 TIP3 1137 72.144 64.630 -14.289 1.00 0.00 WT1 O ATOM 6401 H1 TIP3 1137 71.510 64.910 -13.629 1.00 0.00 WT1 H ATOM 6402 H2 TIP3 1137 71.608 64.309 -15.015 1.00 0.00 WT1 H ATOM 6403 OH2 TIP3 1139 42.087 42.418 16.729 1.00 0.00 WT1 O ATOM 6404 H1 TIP3 1139 42.363 43.332 16.803 1.00 0.00 WT1 H ATOM 6405 H2 TIP3 1139 42.336 42.024 17.565 1.00 0.00 WT1 H ATOM 6406 OH2 TIP3 1140 46.185 68.897 59.473 1.00 0.00 WT1 O ATOM 6407 H1 TIP3 1140 46.189 68.804 58.521 1.00 0.00 WT1 H ATOM 6408 H2 TIP3 1140 45.418 69.438 59.658 1.00 0.00 WT1 H ATOM 6409 OH2 TIP3 1141 53.587 12.750 -15.229 1.00 0.00 WT1 O ATOM 6410 H1 TIP3 1141 53.521 12.898 -16.173 1.00 0.00 WT1 H ATOM 6411 H2 TIP3 1141 53.164 11.903 -15.089 1.00 0.00 WT1 H ATOM 6412 OH2 TIP3 1142 60.408 18.275 45.210 1.00 0.00 WT1 O ATOM 6413 H1 TIP3 1142 60.916 18.942 44.749 1.00 0.00 WT1 H ATOM 6414 H2 TIP3 1142 60.593 17.463 44.737 1.00 0.00 WT1 H ATOM 6415 OH2 TIP3 1143 51.589 63.577 64.298 1.00 0.00 WT1 O ATOM 6416 H1 TIP3 1143 50.840 63.684 64.885 1.00 0.00 WT1 H ATOM 6417 H2 TIP3 1143 51.821 64.469 64.041 1.00 0.00 WT1 H ATOM 6418 OH2 TIP3 1144 89.373 78.094 49.820 1.00 0.00 WT1 O ATOM 6419 H1 TIP3 1144 89.290 79.036 49.673 1.00 0.00 WT1 H ATOM 6420 H2 TIP3 1144 88.481 77.757 49.728 1.00 0.00 WT1 H ATOM 6421 OH2 TIP3 1146 24.325 38.590 6.871 1.00 0.00 WT1 O ATOM 6422 H1 TIP3 1146 23.955 39.379 7.267 1.00 0.00 WT1 H ATOM 6423 H2 TIP3 1146 24.822 38.910 6.118 1.00 0.00 WT1 H ATOM 6424 OH2 TIP3 1147 33.059 46.361 -2.580 1.00 0.00 WT1 O ATOM 6425 H1 TIP3 1147 33.664 47.078 -2.771 1.00 0.00 WT1 H ATOM 6426 H2 TIP3 1147 32.943 46.391 -1.631 1.00 0.00 WT1 H ATOM 6427 OH2 TIP3 1148 63.513 53.510 36.849 1.00 0.00 WT1 O ATOM 6428 H1 TIP3 1148 63.057 52.694 36.642 1.00 0.00 WT1 H ATOM 6429 H2 TIP3 1148 62.898 53.996 37.399 1.00 0.00 WT1 H ATOM 6430 OH2 TIP3 1149 64.016 0.140 -3.240 1.00 0.00 WT1 O ATOM 6431 H1 TIP3 1149 63.761 0.761 -2.558 1.00 0.00 WT1 H ATOM 6432 H2 TIP3 1149 63.195 -0.091 -3.674 1.00 0.00 WT1 H ATOM 6433 OH2 TIP3 1151 64.831 18.388 32.804 1.00 0.00 WT1 O ATOM 6434 H1 TIP3 1151 65.551 18.520 32.187 1.00 0.00 WT1 H ATOM 6435 H2 TIP3 1151 65.260 18.275 33.652 1.00 0.00 WT1 H ATOM 6436 OH2 TIP3 1152 24.542 32.383 1.671 1.00 0.00 WT1 O ATOM 6437 H1 TIP3 1152 24.957 33.028 1.099 1.00 0.00 WT1 H ATOM 6438 H2 TIP3 1152 25.165 32.262 2.388 1.00 0.00 WT1 H ATOM 6439 OH2 TIP3 1153 38.285 45.080 49.648 1.00 0.00 WT1 O ATOM 6440 H1 TIP3 1153 38.762 45.536 50.341 1.00 0.00 WT1 H ATOM 6441 H2 TIP3 1153 38.932 44.953 48.955 1.00 0.00 WT1 H ATOM 6442 OH2 TIP3 1154 71.992 95.292 -2.267 1.00 0.00 WT1 O ATOM 6443 H1 TIP3 1154 71.693 95.546 -1.394 1.00 0.00 WT1 H ATOM 6444 H2 TIP3 1154 71.189 95.074 -2.741 1.00 0.00 WT1 H ATOM 6445 OH2 TIP3 1155 82.410 61.085 12.566 1.00 0.00 WT1 O ATOM 6446 H1 TIP3 1155 82.794 60.784 13.390 1.00 0.00 WT1 H ATOM 6447 H2 TIP3 1155 81.466 61.071 12.722 1.00 0.00 WT1 H ATOM 6448 OH2 TIP3 1156 38.594 31.345 8.944 1.00 0.00 WT1 O ATOM 6449 H1 TIP3 1156 39.028 32.198 8.966 1.00 0.00 WT1 H ATOM 6450 H2 TIP3 1156 38.152 31.278 9.790 1.00 0.00 WT1 H ATOM 6451 OH2 TIP3 1157 44.789 4.826 -5.477 1.00 0.00 WT1 O ATOM 6452 H1 TIP3 1157 45.136 5.390 -4.785 1.00 0.00 WT1 H ATOM 6453 H2 TIP3 1157 44.142 4.277 -5.035 1.00 0.00 WT1 H ATOM 6454 OH2 TIP3 1158 49.550 80.023 -8.502 1.00 0.00 WT1 O ATOM 6455 H1 TIP3 1158 50.448 79.694 -8.485 1.00 0.00 WT1 H ATOM 6456 H2 TIP3 1158 49.489 80.514 -9.321 1.00 0.00 WT1 H ATOM 6457 OH2 TIP3 1159 28.357 62.363 19.960 1.00 0.00 WT1 O ATOM 6458 H1 TIP3 1159 29.034 62.991 19.706 1.00 0.00 WT1 H ATOM 6459 H2 TIP3 1159 28.657 62.014 20.800 1.00 0.00 WT1 H ATOM 6460 OH2 TIP3 1160 48.510 36.677 25.716 1.00 0.00 WT1 O ATOM 6461 H1 TIP3 1160 48.993 36.698 24.890 1.00 0.00 WT1 H ATOM 6462 H2 TIP3 1160 48.313 35.751 25.855 1.00 0.00 WT1 H ATOM 6463 OH2 TIP3 1161 75.160 89.816 66.196 1.00 0.00 WT1 O ATOM 6464 H1 TIP3 1161 75.620 90.281 65.498 1.00 0.00 WT1 H ATOM 6465 H2 TIP3 1161 75.826 89.674 66.870 1.00 0.00 WT1 H ATOM 6466 OH2 TIP3 1162 53.794 66.080 23.872 1.00 0.00 WT1 O ATOM 6467 H1 TIP3 1162 54.335 65.294 23.806 1.00 0.00 WT1 H ATOM 6468 H2 TIP3 1162 54.202 66.704 23.271 1.00 0.00 WT1 H ATOM 6469 OH2 TIP3 1163 56.254 20.761 57.409 1.00 0.00 WT1 O ATOM 6470 H1 TIP3 1163 57.139 21.036 57.648 1.00 0.00 WT1 H ATOM 6471 H2 TIP3 1163 55.711 21.533 57.572 1.00 0.00 WT1 H ATOM 6472 OH2 TIP3 1164 60.717 30.786 -17.220 1.00 0.00 WT1 O ATOM 6473 H1 TIP3 1164 60.658 31.159 -18.099 1.00 0.00 WT1 H ATOM 6474 H2 TIP3 1164 60.196 31.374 -16.673 1.00 0.00 WT1 H ATOM 6475 OH2 TIP3 1165 70.021 23.474 -9.168 1.00 0.00 WT1 O ATOM 6476 H1 TIP3 1165 70.171 23.692 -8.248 1.00 0.00 WT1 H ATOM 6477 H2 TIP3 1165 69.949 24.321 -9.607 1.00 0.00 WT1 H ATOM 6478 OH2 TIP3 1166 58.346 36.128 13.051 1.00 0.00 WT1 O ATOM 6479 H1 TIP3 1166 58.725 36.979 12.833 1.00 0.00 WT1 H ATOM 6480 H2 TIP3 1166 57.401 36.261 12.979 1.00 0.00 WT1 H ATOM 6481 OH2 TIP3 1167 36.920 92.880 28.066 1.00 0.00 WT1 O ATOM 6482 H1 TIP3 1167 37.752 93.218 28.398 1.00 0.00 WT1 H ATOM 6483 H2 TIP3 1167 37.105 92.638 27.159 1.00 0.00 WT1 H ATOM 6484 OH2 TIP3 1168 89.445 73.839 33.786 1.00 0.00 WT1 O ATOM 6485 H1 TIP3 1168 88.978 73.998 32.965 1.00 0.00 WT1 H ATOM 6486 H2 TIP3 1168 89.131 74.524 34.377 1.00 0.00 WT1 H ATOM 6487 OH2 TIP3 1169 29.933 69.075 -1.878 1.00 0.00 WT1 O ATOM 6488 H1 TIP3 1169 30.809 68.755 -1.663 1.00 0.00 WT1 H ATOM 6489 H2 TIP3 1169 29.340 68.469 -1.435 1.00 0.00 WT1 H ATOM 6490 OH2 TIP3 1170 38.662 37.782 50.102 1.00 0.00 WT1 O ATOM 6491 H1 TIP3 1170 38.683 37.381 50.971 1.00 0.00 WT1 H ATOM 6492 H2 TIP3 1170 38.817 37.054 49.499 1.00 0.00 WT1 H ATOM 6493 OH2 TIP3 1171 28.224 88.713 26.055 1.00 0.00 WT1 O ATOM 6494 H1 TIP3 1171 28.724 87.903 26.151 1.00 0.00 WT1 H ATOM 6495 H2 TIP3 1171 28.075 89.011 26.952 1.00 0.00 WT1 H ATOM 6496 OH2 TIP3 1172 29.396 50.172 33.725 1.00 0.00 WT1 O ATOM 6497 H1 TIP3 1172 30.167 50.693 33.948 1.00 0.00 WT1 H ATOM 6498 H2 TIP3 1172 29.296 49.565 34.458 1.00 0.00 WT1 H ATOM 6499 OH2 TIP3 1173 47.704 45.102 40.660 1.00 0.00 WT1 O ATOM 6500 H1 TIP3 1173 47.968 44.555 39.920 1.00 0.00 WT1 H ATOM 6501 H2 TIP3 1173 46.986 44.620 41.071 1.00 0.00 WT1 H ATOM 6502 OH2 TIP3 1174 44.760 54.648 7.452 1.00 0.00 WT1 O ATOM 6503 H1 TIP3 1174 45.362 55.153 8.000 1.00 0.00 WT1 H ATOM 6504 H2 TIP3 1174 45.331 54.114 6.899 1.00 0.00 WT1 H ATOM 6505 OH2 TIP3 1175 84.157 76.417 20.033 1.00 0.00 WT1 O ATOM 6506 H1 TIP3 1175 83.375 76.425 19.481 1.00 0.00 WT1 H ATOM 6507 H2 TIP3 1175 83.872 76.002 20.847 1.00 0.00 WT1 H ATOM 6508 OH2 TIP3 1176 30.421 59.395 36.773 1.00 0.00 WT1 O ATOM 6509 H1 TIP3 1176 29.940 59.788 36.045 1.00 0.00 WT1 H ATOM 6510 H2 TIP3 1176 30.740 60.142 37.280 1.00 0.00 WT1 H ATOM 6511 OH2 TIP3 1177 73.017 45.132 52.539 1.00 0.00 WT1 O ATOM 6512 H1 TIP3 1177 73.728 44.719 52.050 1.00 0.00 WT1 H ATOM 6513 H2 TIP3 1177 72.854 45.955 52.078 1.00 0.00 WT1 H ATOM 6514 OH2 TIP3 1178 29.863 93.589 36.213 1.00 0.00 WT1 O ATOM 6515 H1 TIP3 1178 28.980 93.758 35.883 1.00 0.00 WT1 H ATOM 6516 H2 TIP3 1178 29.740 92.935 36.901 1.00 0.00 WT1 H ATOM 6517 OH2 TIP3 1179 21.479 51.237 49.278 1.00 0.00 WT1 O ATOM 6518 H1 TIP3 1179 21.941 50.488 48.900 1.00 0.00 WT1 H ATOM 6519 H2 TIP3 1179 21.710 51.972 48.711 1.00 0.00 WT1 H ATOM 6520 OH2 TIP3 1180 51.069 19.838 39.174 1.00 0.00 WT1 O ATOM 6521 H1 TIP3 1180 50.934 20.501 39.851 1.00 0.00 WT1 H ATOM 6522 H2 TIP3 1180 50.234 19.370 39.127 1.00 0.00 WT1 H ATOM 6523 OH2 TIP3 1181 20.536 80.360 41.062 1.00 0.00 WT1 O ATOM 6524 H1 TIP3 1181 20.873 80.581 40.194 1.00 0.00 WT1 H ATOM 6525 H2 TIP3 1181 19.810 80.967 41.200 1.00 0.00 WT1 H ATOM 6526 OH2 TIP3 1182 85.013 56.078 48.694 1.00 0.00 WT1 O ATOM 6527 H1 TIP3 1182 84.754 55.158 48.631 1.00 0.00 WT1 H ATOM 6528 H2 TIP3 1182 84.956 56.405 47.797 1.00 0.00 WT1 H ATOM 6529 OH2 TIP3 1183 84.429 74.067 67.187 1.00 0.00 WT1 O ATOM 6530 H1 TIP3 1183 84.446 74.949 66.817 1.00 0.00 WT1 H ATOM 6531 H2 TIP3 1183 83.880 73.564 66.585 1.00 0.00 WT1 H ATOM 6532 OH2 TIP3 1184 76.505 96.270 36.440 1.00 0.00 WT1 O ATOM 6533 H1 TIP3 1184 76.121 97.147 36.435 1.00 0.00 WT1 H ATOM 6534 H2 TIP3 1184 75.906 95.749 36.975 1.00 0.00 WT1 H ATOM 6535 OH2 TIP3 1185 57.463 79.246 47.469 1.00 0.00 WT1 O ATOM 6536 H1 TIP3 1185 57.965 78.503 47.803 1.00 0.00 WT1 H ATOM 6537 H2 TIP3 1185 56.567 78.916 47.395 1.00 0.00 WT1 H ATOM 6538 OH2 TIP3 1186 85.727 9.656 -9.397 1.00 0.00 WT1 O ATOM 6539 H1 TIP3 1186 85.288 10.467 -9.650 1.00 0.00 WT1 H ATOM 6540 H2 TIP3 1186 86.413 9.933 -8.789 1.00 0.00 WT1 H ATOM 6541 OH2 TIP3 1188 76.136 87.669 -8.767 1.00 0.00 WT1 O ATOM 6542 H1 TIP3 1188 76.802 86.993 -8.642 1.00 0.00 WT1 H ATOM 6543 H2 TIP3 1188 76.618 88.420 -9.113 1.00 0.00 WT1 H ATOM 6544 OH2 TIP3 1189 57.603 39.265 44.569 1.00 0.00 WT1 O ATOM 6545 H1 TIP3 1189 56.964 39.978 44.589 1.00 0.00 WT1 H ATOM 6546 H2 TIP3 1189 58.159 39.462 43.816 1.00 0.00 WT1 H ATOM 6547 OH2 TIP3 1190 44.297 46.047 40.412 1.00 0.00 WT1 O ATOM 6548 H1 TIP3 1190 43.655 46.489 40.967 1.00 0.00 WT1 H ATOM 6549 H2 TIP3 1190 44.841 46.754 40.065 1.00 0.00 WT1 H ATOM 6550 OH2 TIP3 1191 62.815 16.324 33.727 1.00 0.00 WT1 O ATOM 6551 H1 TIP3 1191 63.489 16.826 33.269 1.00 0.00 WT1 H ATOM 6552 H2 TIP3 1191 62.003 16.803 33.558 1.00 0.00 WT1 H ATOM 6553 OH2 TIP3 1192 38.413 4.661 48.982 1.00 0.00 WT1 O ATOM 6554 H1 TIP3 1192 37.792 4.567 49.704 1.00 0.00 WT1 H ATOM 6555 H2 TIP3 1192 39.218 4.971 49.398 1.00 0.00 WT1 H ATOM 6556 OH2 TIP3 1194 77.194 46.214 51.765 1.00 0.00 WT1 O ATOM 6557 H1 TIP3 1194 76.869 46.571 50.938 1.00 0.00 WT1 H ATOM 6558 H2 TIP3 1194 77.057 46.917 52.400 1.00 0.00 WT1 H ATOM 6559 OH2 TIP3 1195 41.963 86.490 -11.876 1.00 0.00 WT1 O ATOM 6560 H1 TIP3 1195 41.456 85.724 -11.608 1.00 0.00 WT1 H ATOM 6561 H2 TIP3 1195 41.531 86.796 -12.673 1.00 0.00 WT1 H ATOM 6562 OH2 TIP3 1196 60.042 21.180 23.523 1.00 0.00 WT1 O ATOM 6563 H1 TIP3 1196 60.588 21.264 22.741 1.00 0.00 WT1 H ATOM 6564 H2 TIP3 1196 59.437 21.920 23.474 1.00 0.00 WT1 H ATOM 6565 OH2 TIP3 1197 28.798 47.855 26.176 1.00 0.00 WT1 O ATOM 6566 H1 TIP3 1197 29.275 47.909 27.004 1.00 0.00 WT1 H ATOM 6567 H2 TIP3 1197 28.401 46.984 26.184 1.00 0.00 WT1 H ATOM 6568 OH2 TIP3 1198 64.621 26.847 31.732 1.00 0.00 WT1 O ATOM 6569 H1 TIP3 1198 64.692 27.475 31.013 1.00 0.00 WT1 H ATOM 6570 H2 TIP3 1198 64.677 27.382 32.524 1.00 0.00 WT1 H ATOM 6571 OH2 TIP3 1199 62.368 60.527 25.677 1.00 0.00 WT1 O ATOM 6572 H1 TIP3 1199 62.041 59.632 25.767 1.00 0.00 WT1 H ATOM 6573 H2 TIP3 1199 61.838 60.907 24.976 1.00 0.00 WT1 H ATOM 6574 OH2 TIP3 1200 67.597 36.428 -12.464 1.00 0.00 WT1 O ATOM 6575 H1 TIP3 1200 67.593 37.330 -12.783 1.00 0.00 WT1 H ATOM 6576 H2 TIP3 1200 68.513 36.157 -12.522 1.00 0.00 WT1 H ATOM 6577 OH2 TIP3 1201 56.327 41.634 2.529 1.00 0.00 WT1 O ATOM 6578 H1 TIP3 1201 56.330 40.951 3.199 1.00 0.00 WT1 H ATOM 6579 H2 TIP3 1201 57.146 42.109 2.666 1.00 0.00 WT1 H ATOM 6580 OH2 TIP3 1202 84.617 27.502 62.788 1.00 0.00 WT1 O ATOM 6581 H1 TIP3 1202 85.467 27.667 62.379 1.00 0.00 WT1 H ATOM 6582 H2 TIP3 1202 84.006 28.058 62.305 1.00 0.00 WT1 H ATOM 6583 OH2 TIP3 1203 67.194 31.607 57.555 1.00 0.00 WT1 O ATOM 6584 H1 TIP3 1203 66.385 31.103 57.638 1.00 0.00 WT1 H ATOM 6585 H2 TIP3 1203 66.987 32.458 57.944 1.00 0.00 WT1 H ATOM 6586 OH2 TIP3 1204 39.584 83.983 32.316 1.00 0.00 WT1 O ATOM 6587 H1 TIP3 1204 39.735 84.347 31.444 1.00 0.00 WT1 H ATOM 6588 H2 TIP3 1204 38.775 83.477 32.228 1.00 0.00 WT1 H ATOM 6589 OH2 TIP3 1205 50.360 50.242 -8.686 1.00 0.00 WT1 O ATOM 6590 H1 TIP3 1205 51.155 50.474 -8.206 1.00 0.00 WT1 H ATOM 6591 H2 TIP3 1205 49.674 50.776 -8.287 1.00 0.00 WT1 H ATOM 6592 OH2 TIP3 1206 32.035 91.215 32.058 1.00 0.00 WT1 O ATOM 6593 H1 TIP3 1206 31.699 90.555 31.451 1.00 0.00 WT1 H ATOM 6594 H2 TIP3 1206 31.680 90.959 32.910 1.00 0.00 WT1 H ATOM 6595 OH2 TIP3 1207 90.652 80.536 66.237 1.00 0.00 WT1 O ATOM 6596 H1 TIP3 1207 89.905 80.429 66.825 1.00 0.00 WT1 H ATOM 6597 H2 TIP3 1207 90.448 81.321 65.729 1.00 0.00 WT1 H ATOM 6598 OH2 TIP3 1208 62.101 30.182 27.569 1.00 0.00 WT1 O ATOM 6599 H1 TIP3 1208 62.669 29.630 27.032 1.00 0.00 WT1 H ATOM 6600 H2 TIP3 1208 62.387 31.076 27.380 1.00 0.00 WT1 H ATOM 6601 OH2 TIP3 1209 74.000 30.609 19.963 1.00 0.00 WT1 O ATOM 6602 H1 TIP3 1209 74.526 30.120 19.330 1.00 0.00 WT1 H ATOM 6603 H2 TIP3 1209 74.460 30.495 20.796 1.00 0.00 WT1 H ATOM 6604 OH2 TIP3 1210 29.805 51.883 13.406 1.00 0.00 WT1 O ATOM 6605 H1 TIP3 1210 30.628 51.397 13.360 1.00 0.00 WT1 H ATOM 6606 H2 TIP3 1210 29.986 52.707 12.953 1.00 0.00 WT1 H ATOM 6607 OH2 TIP3 1211 67.473 38.502 2.686 1.00 0.00 WT1 O ATOM 6608 H1 TIP3 1211 67.891 38.215 3.498 1.00 0.00 WT1 H ATOM 6609 H2 TIP3 1211 68.070 38.214 1.995 1.00 0.00 WT1 H ATOM 6610 OH2 TIP3 1212 43.635 14.397 25.301 1.00 0.00 WT1 O ATOM 6611 H1 TIP3 1212 44.574 14.568 25.374 1.00 0.00 WT1 H ATOM 6612 H2 TIP3 1212 43.438 14.527 24.373 1.00 0.00 WT1 H ATOM 6613 OH2 TIP3 1213 68.585 47.705 40.100 1.00 0.00 WT1 O ATOM 6614 H1 TIP3 1213 69.456 47.757 39.706 1.00 0.00 WT1 H ATOM 6615 H2 TIP3 1213 68.128 48.481 39.776 1.00 0.00 WT1 H ATOM 6616 OH2 TIP3 1214 74.094 52.316 42.018 1.00 0.00 WT1 O ATOM 6617 H1 TIP3 1214 73.892 53.247 41.928 1.00 0.00 WT1 H ATOM 6618 H2 TIP3 1214 73.634 51.900 41.288 1.00 0.00 WT1 H ATOM 6619 OH2 TIP3 1215 38.923 62.774 40.387 1.00 0.00 WT1 O ATOM 6620 H1 TIP3 1215 39.460 62.504 39.642 1.00 0.00 WT1 H ATOM 6621 H2 TIP3 1215 39.176 63.683 40.549 1.00 0.00 WT1 H ATOM 6622 OH2 TIP3 1216 84.665 61.137 28.615 1.00 0.00 WT1 O ATOM 6623 H1 TIP3 1216 85.304 60.457 28.400 1.00 0.00 WT1 H ATOM 6624 H2 TIP3 1216 83.927 60.967 28.030 1.00 0.00 WT1 H ATOM 6625 OH2 TIP3 1217 31.828 10.238 31.817 1.00 0.00 WT1 O ATOM 6626 H1 TIP3 1217 32.785 10.267 31.844 1.00 0.00 WT1 H ATOM 6627 H2 TIP3 1217 31.627 9.698 31.052 1.00 0.00 WT1 H ATOM 6628 OH2 TIP3 1218 52.618 40.917 40.117 1.00 0.00 WT1 O ATOM 6629 H1 TIP3 1218 53.143 41.006 39.321 1.00 0.00 WT1 H ATOM 6630 H2 TIP3 1218 51.924 41.569 40.021 1.00 0.00 WT1 H ATOM 6631 OH2 TIP3 1219 28.918 53.706 62.937 1.00 0.00 WT1 O ATOM 6632 H1 TIP3 1219 29.401 53.144 63.543 1.00 0.00 WT1 H ATOM 6633 H2 TIP3 1219 28.567 54.407 63.486 1.00 0.00 WT1 H ATOM 6634 OH2 TIP3 1220 24.474 91.177 24.621 1.00 0.00 WT1 O ATOM 6635 H1 TIP3 1220 24.082 90.427 24.174 1.00 0.00 WT1 H ATOM 6636 H2 TIP3 1220 23.915 91.321 25.384 1.00 0.00 WT1 H ATOM 6637 OH2 TIP3 1221 50.926 40.035 52.628 1.00 0.00 WT1 O ATOM 6638 H1 TIP3 1221 50.967 40.273 53.555 1.00 0.00 WT1 H ATOM 6639 H2 TIP3 1221 50.545 39.157 52.623 1.00 0.00 WT1 H ATOM 6640 OH2 TIP3 1222 52.317 41.891 45.270 1.00 0.00 WT1 O ATOM 6641 H1 TIP3 1222 52.725 41.806 44.409 1.00 0.00 WT1 H ATOM 6642 H2 TIP3 1222 51.569 42.470 45.125 1.00 0.00 WT1 H ATOM 6643 OH2 TIP3 1223 41.185 40.756 -19.088 1.00 0.00 WT1 O ATOM 6644 H1 TIP3 1223 41.182 41.393 -19.802 1.00 0.00 WT1 H ATOM 6645 H2 TIP3 1223 40.264 40.669 -18.840 1.00 0.00 WT1 H ATOM 6646 OH2 TIP3 1224 39.089 34.249 -4.103 1.00 0.00 WT1 O ATOM 6647 H1 TIP3 1224 39.026 35.204 -4.084 1.00 0.00 WT1 H ATOM 6648 H2 TIP3 1224 38.237 33.958 -4.425 1.00 0.00 WT1 H ATOM 6649 OH2 TIP3 1225 31.457 11.255 -14.407 1.00 0.00 WT1 O ATOM 6650 H1 TIP3 1225 32.101 11.166 -15.109 1.00 0.00 WT1 H ATOM 6651 H2 TIP3 1225 31.277 10.356 -14.131 1.00 0.00 WT1 H ATOM 6652 OH2 TIP3 1226 32.399 41.917 63.884 1.00 0.00 WT1 O ATOM 6653 H1 TIP3 1226 32.074 42.506 64.565 1.00 0.00 WT1 H ATOM 6654 H2 TIP3 1226 33.004 41.333 64.341 1.00 0.00 WT1 H ATOM 6655 OH2 TIP3 1227 71.645 52.311 62.482 1.00 0.00 WT1 O ATOM 6656 H1 TIP3 1227 72.035 51.518 62.115 1.00 0.00 WT1 H ATOM 6657 H2 TIP3 1227 70.720 52.255 62.245 1.00 0.00 WT1 H ATOM 6658 OH2 TIP3 1228 44.762 34.909 51.574 1.00 0.00 WT1 O ATOM 6659 H1 TIP3 1228 45.386 34.713 52.273 1.00 0.00 WT1 H ATOM 6660 H2 TIP3 1228 45.157 35.640 51.098 1.00 0.00 WT1 H ATOM 6661 OH2 TIP3 1229 49.106 34.807 19.903 1.00 0.00 WT1 O ATOM 6662 H1 TIP3 1229 48.997 33.887 20.142 1.00 0.00 WT1 H ATOM 6663 H2 TIP3 1229 49.791 35.128 20.489 1.00 0.00 WT1 H ATOM 6664 OH2 TIP3 1230 85.986 46.444 8.199 1.00 0.00 WT1 O ATOM 6665 H1 TIP3 1230 86.112 47.071 8.910 1.00 0.00 WT1 H ATOM 6666 H2 TIP3 1230 85.401 46.890 7.586 1.00 0.00 WT1 H ATOM 6667 OH2 TIP3 1231 46.991 82.525 -7.107 1.00 0.00 WT1 O ATOM 6668 H1 TIP3 1231 47.719 82.047 -6.711 1.00 0.00 WT1 H ATOM 6669 H2 TIP3 1231 46.526 81.868 -7.625 1.00 0.00 WT1 H ATOM 6670 OH2 TIP3 1233 42.547 38.067 43.423 1.00 0.00 WT1 O ATOM 6671 H1 TIP3 1233 42.973 38.801 43.867 1.00 0.00 WT1 H ATOM 6672 H2 TIP3 1233 41.803 38.461 42.968 1.00 0.00 WT1 H ATOM 6673 OH2 TIP3 1234 89.944 33.872 39.652 1.00 0.00 WT1 O ATOM 6674 H1 TIP3 1234 89.846 34.418 40.433 1.00 0.00 WT1 H ATOM 6675 H2 TIP3 1234 89.781 32.981 39.960 1.00 0.00 WT1 H ATOM 6676 OH2 TIP3 1235 52.630 71.221 57.265 1.00 0.00 WT1 O ATOM 6677 H1 TIP3 1235 52.322 71.683 56.485 1.00 0.00 WT1 H ATOM 6678 H2 TIP3 1235 52.637 70.298 57.010 1.00 0.00 WT1 H ATOM 6679 OH2 TIP3 1236 73.920 57.265 37.647 1.00 0.00 WT1 O ATOM 6680 H1 TIP3 1236 73.476 56.417 37.654 1.00 0.00 WT1 H ATOM 6681 H2 TIP3 1236 73.645 57.686 38.461 1.00 0.00 WT1 H ATOM 6682 OH2 TIP3 1237 21.202 36.790 29.101 1.00 0.00 WT1 O ATOM 6683 H1 TIP3 1237 20.533 37.407 29.400 1.00 0.00 WT1 H ATOM 6684 H2 TIP3 1237 21.086 36.753 28.152 1.00 0.00 WT1 H ATOM 6685 OH2 TIP3 1238 61.738 33.430 37.825 1.00 0.00 WT1 O ATOM 6686 H1 TIP3 1238 61.655 32.815 37.097 1.00 0.00 WT1 H ATOM 6687 H2 TIP3 1238 62.417 34.043 37.545 1.00 0.00 WT1 H ATOM 6688 OH2 TIP3 1239 57.103 46.583 32.586 1.00 0.00 WT1 O ATOM 6689 H1 TIP3 1239 57.125 46.229 31.697 1.00 0.00 WT1 H ATOM 6690 H2 TIP3 1239 57.240 47.523 32.473 1.00 0.00 WT1 H ATOM 6691 OH2 TIP3 1240 25.316 71.905 -10.495 1.00 0.00 WT1 O ATOM 6692 H1 TIP3 1240 25.943 71.644 -11.169 1.00 0.00 WT1 H ATOM 6693 H2 TIP3 1240 24.686 71.185 -10.462 1.00 0.00 WT1 H ATOM 6694 OH2 TIP3 1242 49.753 85.474 27.687 1.00 0.00 WT1 O ATOM 6695 H1 TIP3 1242 49.227 85.290 26.909 1.00 0.00 WT1 H ATOM 6696 H2 TIP3 1242 49.723 84.663 28.194 1.00 0.00 WT1 H ATOM 6697 OH2 TIP3 1243 53.274 74.452 32.106 1.00 0.00 WT1 O ATOM 6698 H1 TIP3 1243 52.886 73.860 32.751 1.00 0.00 WT1 H ATOM 6699 H2 TIP3 1243 53.064 74.056 31.260 1.00 0.00 WT1 H ATOM 6700 OH2 TIP3 1244 81.962 38.479 -2.861 1.00 0.00 WT1 O ATOM 6701 H1 TIP3 1244 81.521 39.283 -2.587 1.00 0.00 WT1 H ATOM 6702 H2 TIP3 1244 82.694 38.387 -2.250 1.00 0.00 WT1 H ATOM 6703 OH2 TIP3 1245 23.130 37.257 47.503 1.00 0.00 WT1 O ATOM 6704 H1 TIP3 1245 23.691 36.829 46.856 1.00 0.00 WT1 H ATOM 6705 H2 TIP3 1245 22.836 38.059 47.072 1.00 0.00 WT1 H ATOM 6706 OH2 TIP3 1246 81.578 47.757 54.964 1.00 0.00 WT1 O ATOM 6707 H1 TIP3 1246 80.711 47.389 54.796 1.00 0.00 WT1 H ATOM 6708 H2 TIP3 1246 82.034 47.079 55.463 1.00 0.00 WT1 H ATOM 6709 OH2 TIP3 1247 84.254 53.319 20.315 1.00 0.00 WT1 O ATOM 6710 H1 TIP3 1247 83.937 54.160 19.985 1.00 0.00 WT1 H ATOM 6711 H2 TIP3 1247 83.592 52.686 20.034 1.00 0.00 WT1 H ATOM 6712 OH2 TIP3 1248 34.697 63.119 64.987 1.00 0.00 WT1 O ATOM 6713 H1 TIP3 1248 34.392 63.101 65.894 1.00 0.00 WT1 H ATOM 6714 H2 TIP3 1248 34.612 62.214 64.687 1.00 0.00 WT1 H ATOM 6715 OH2 TIP3 1249 27.503 53.986 14.850 1.00 0.00 WT1 O ATOM 6716 H1 TIP3 1249 28.455 54.077 14.850 1.00 0.00 WT1 H ATOM 6717 H2 TIP3 1249 27.300 53.574 14.011 1.00 0.00 WT1 H ATOM 6718 OH2 TIP3 1250 78.417 5.451 39.770 1.00 0.00 WT1 O ATOM 6719 H1 TIP3 1250 78.280 6.378 39.576 1.00 0.00 WT1 H ATOM 6720 H2 TIP3 1250 79.095 5.174 39.153 1.00 0.00 WT1 H ATOM 6721 OH2 TIP3 1253 84.300 94.272 55.278 1.00 0.00 WT1 O ATOM 6722 H1 TIP3 1253 83.879 94.513 54.453 1.00 0.00 WT1 H ATOM 6723 H2 TIP3 1253 84.346 93.316 55.253 1.00 0.00 WT1 H ATOM 6724 OH2 TIP3 1254 24.439 14.981 -19.621 1.00 0.00 WT1 O ATOM 6725 H1 TIP3 1254 23.658 15.484 -19.851 1.00 0.00 WT1 H ATOM 6726 H2 TIP3 1254 25.132 15.350 -20.169 1.00 0.00 WT1 H ATOM 6727 OH2 TIP3 1255 85.172 44.608 31.277 1.00 0.00 WT1 O ATOM 6728 H1 TIP3 1255 85.187 44.297 32.182 1.00 0.00 WT1 H ATOM 6729 H2 TIP3 1255 84.380 44.222 30.903 1.00 0.00 WT1 H ATOM 6730 OH2 TIP3 1256 36.236 61.661 61.403 1.00 0.00 WT1 O ATOM 6731 H1 TIP3 1256 35.625 61.073 60.960 1.00 0.00 WT1 H ATOM 6732 H2 TIP3 1256 36.469 62.310 60.739 1.00 0.00 WT1 H ATOM 6733 OH2 TIP3 1257 28.589 42.054 23.429 1.00 0.00 WT1 O ATOM 6734 H1 TIP3 1257 28.890 42.725 24.042 1.00 0.00 WT1 H ATOM 6735 H2 TIP3 1257 27.846 42.456 22.979 1.00 0.00 WT1 H ATOM 6736 OH2 TIP3 1258 28.135 53.983 23.310 1.00 0.00 WT1 O ATOM 6737 H1 TIP3 1258 27.938 53.892 22.378 1.00 0.00 WT1 H ATOM 6738 H2 TIP3 1258 28.231 53.083 23.623 1.00 0.00 WT1 H ATOM 6739 OH2 TIP3 1259 24.775 1.405 3.557 1.00 0.00 WT1 O ATOM 6740 H1 TIP3 1259 23.956 1.020 3.870 1.00 0.00 WT1 H ATOM 6741 H2 TIP3 1259 24.508 2.215 3.122 1.00 0.00 WT1 H ATOM 6742 OH2 TIP3 1260 36.931 44.444 4.525 1.00 0.00 WT1 O ATOM 6743 H1 TIP3 1260 36.840 43.637 4.019 1.00 0.00 WT1 H ATOM 6744 H2 TIP3 1260 36.534 44.243 5.372 1.00 0.00 WT1 H ATOM 6745 OH2 TIP3 1261 79.097 44.859 57.819 1.00 0.00 WT1 O ATOM 6746 H1 TIP3 1261 79.266 45.477 58.530 1.00 0.00 WT1 H ATOM 6747 H2 TIP3 1261 78.550 45.345 57.203 1.00 0.00 WT1 H ATOM 6748 OH2 TIP3 1262 58.459 12.062 52.316 1.00 0.00 WT1 O ATOM 6749 H1 TIP3 1262 57.819 12.698 51.996 1.00 0.00 WT1 H ATOM 6750 H2 TIP3 1262 58.473 11.378 51.646 1.00 0.00 WT1 H ATOM 6751 OH2 TIP3 1263 29.298 16.007 29.308 1.00 0.00 WT1 O ATOM 6752 H1 TIP3 1263 28.793 16.711 29.715 1.00 0.00 WT1 H ATOM 6753 H2 TIP3 1263 29.761 15.592 30.036 1.00 0.00 WT1 H ATOM 6754 OH2 TIP3 1264 58.787 41.031 -3.320 1.00 0.00 WT1 O ATOM 6755 H1 TIP3 1264 58.647 40.701 -4.207 1.00 0.00 WT1 H ATOM 6756 H2 TIP3 1264 58.379 40.376 -2.753 1.00 0.00 WT1 H ATOM 6757 OH2 TIP3 1265 25.733 90.697 54.423 1.00 0.00 WT1 O ATOM 6758 H1 TIP3 1265 25.065 90.178 54.872 1.00 0.00 WT1 H ATOM 6759 H2 TIP3 1265 26.206 91.140 55.127 1.00 0.00 WT1 H ATOM 6760 OH2 TIP3 1266 20.344 58.961 30.306 1.00 0.00 WT1 O ATOM 6761 H1 TIP3 1266 20.856 59.420 30.973 1.00 0.00 WT1 H ATOM 6762 H2 TIP3 1266 20.980 58.738 29.627 1.00 0.00 WT1 H ATOM 6763 OH2 TIP3 1267 71.826 43.143 44.358 1.00 0.00 WT1 O ATOM 6764 H1 TIP3 1267 71.027 42.860 44.804 1.00 0.00 WT1 H ATOM 6765 H2 TIP3 1267 71.910 44.069 44.583 1.00 0.00 WT1 H ATOM 6766 OH2 TIP3 1268 37.472 38.571 -9.056 1.00 0.00 WT1 O ATOM 6767 H1 TIP3 1268 37.316 39.490 -8.839 1.00 0.00 WT1 H ATOM 6768 H2 TIP3 1268 36.760 38.341 -9.652 1.00 0.00 WT1 H ATOM 6769 OH2 TIP3 1269 59.782 66.315 -19.056 1.00 0.00 WT1 O ATOM 6770 H1 TIP3 1269 60.540 66.033 -18.544 1.00 0.00 WT1 H ATOM 6771 H2 TIP3 1269 59.213 66.751 -18.422 1.00 0.00 WT1 H ATOM 6772 OH2 TIP3 1270 51.948 2.973 58.171 1.00 0.00 WT1 O ATOM 6773 H1 TIP3 1270 52.843 2.654 58.286 1.00 0.00 WT1 H ATOM 6774 H2 TIP3 1270 52.035 3.733 57.596 1.00 0.00 WT1 H ATOM 6775 OH2 TIP3 1271 57.695 31.851 -19.109 1.00 0.00 WT1 O ATOM 6776 H1 TIP3 1271 58.590 32.006 -19.412 1.00 0.00 WT1 H ATOM 6777 H2 TIP3 1271 57.753 31.048 -18.592 1.00 0.00 WT1 H ATOM 6778 OH2 TIP3 1272 34.418 12.266 25.299 1.00 0.00 WT1 O ATOM 6779 H1 TIP3 1272 33.727 12.740 25.761 1.00 0.00 WT1 H ATOM 6780 H2 TIP3 1272 34.036 11.409 25.109 1.00 0.00 WT1 H ATOM 6781 OH2 TIP3 1273 73.894 63.477 -5.433 1.00 0.00 WT1 O ATOM 6782 H1 TIP3 1273 74.548 63.772 -4.799 1.00 0.00 WT1 H ATOM 6783 H2 TIP3 1273 73.054 63.644 -5.006 1.00 0.00 WT1 H ATOM 6784 OH2 TIP3 1274 40.731 56.895 9.317 1.00 0.00 WT1 O ATOM 6785 H1 TIP3 1274 41.283 57.199 8.596 1.00 0.00 WT1 H ATOM 6786 H2 TIP3 1274 40.973 55.976 9.433 1.00 0.00 WT1 H ATOM 6787 OH2 TIP3 1275 87.351 31.778 58.105 1.00 0.00 WT1 O ATOM 6788 H1 TIP3 1275 87.048 32.216 58.900 1.00 0.00 WT1 H ATOM 6789 H2 TIP3 1275 87.153 30.853 58.251 1.00 0.00 WT1 H ATOM 6790 OH2 TIP3 1276 25.165 69.068 58.790 1.00 0.00 WT1 O ATOM 6791 H1 TIP3 1276 24.341 69.550 58.860 1.00 0.00 WT1 H ATOM 6792 H2 TIP3 1276 24.984 68.375 58.155 1.00 0.00 WT1 H ATOM 6793 OH2 TIP3 1277 77.181 91.415 34.505 1.00 0.00 WT1 O ATOM 6794 H1 TIP3 1277 76.285 91.742 34.585 1.00 0.00 WT1 H ATOM 6795 H2 TIP3 1277 77.573 91.957 33.820 1.00 0.00 WT1 H ATOM 6796 OH2 TIP3 1278 66.088 22.730 60.665 1.00 0.00 WT1 O ATOM 6797 H1 TIP3 1278 65.190 22.723 60.332 1.00 0.00 WT1 H ATOM 6798 H2 TIP3 1278 66.583 22.216 60.028 1.00 0.00 WT1 H ATOM 6799 OH2 TIP3 1279 49.572 10.005 30.727 1.00 0.00 WT1 O ATOM 6800 H1 TIP3 1279 49.941 9.948 29.845 1.00 0.00 WT1 H ATOM 6801 H2 TIP3 1279 50.253 9.645 31.296 1.00 0.00 WT1 H ATOM 6802 OH2 TIP3 1281 50.456 46.898 34.052 1.00 0.00 WT1 O ATOM 6803 H1 TIP3 1281 50.887 46.715 33.217 1.00 0.00 WT1 H ATOM 6804 H2 TIP3 1281 50.432 47.854 34.105 1.00 0.00 WT1 H ATOM 6805 OH2 TIP3 1282 63.438 27.570 23.968 1.00 0.00 WT1 O ATOM 6806 H1 TIP3 1282 62.864 27.394 23.222 1.00 0.00 WT1 H ATOM 6807 H2 TIP3 1282 64.168 26.961 23.856 1.00 0.00 WT1 H ATOM 6808 OH2 TIP3 1283 20.700 27.011 -3.351 1.00 0.00 WT1 O ATOM 6809 H1 TIP3 1283 20.705 26.585 -4.208 1.00 0.00 WT1 H ATOM 6810 H2 TIP3 1283 20.526 27.933 -3.542 1.00 0.00 WT1 H ATOM 6811 OH2 TIP3 1284 28.792 67.082 -16.987 1.00 0.00 WT1 O ATOM 6812 H1 TIP3 1284 28.700 66.406 -16.315 1.00 0.00 WT1 H ATOM 6813 H2 TIP3 1284 27.921 67.474 -17.054 1.00 0.00 WT1 H ATOM 6814 OH2 TIP3 1285 89.176 48.485 30.627 1.00 0.00 WT1 O ATOM 6815 H1 TIP3 1285 89.464 47.576 30.549 1.00 0.00 WT1 H ATOM 6816 H2 TIP3 1285 88.455 48.563 30.002 1.00 0.00 WT1 H ATOM 6817 OH2 TIP3 1286 90.326 74.207 -14.921 1.00 0.00 WT1 O ATOM 6818 H1 TIP3 1286 90.489 73.327 -14.581 1.00 0.00 WT1 H ATOM 6819 H2 TIP3 1286 89.901 74.669 -14.199 1.00 0.00 WT1 H ATOM 6820 OH2 TIP3 1287 22.227 61.619 47.545 1.00 0.00 WT1 O ATOM 6821 H1 TIP3 1287 21.804 61.209 46.790 1.00 0.00 WT1 H ATOM 6822 H2 TIP3 1287 23.101 61.229 47.570 1.00 0.00 WT1 H ATOM 6823 OH2 TIP3 1288 30.825 63.605 13.747 1.00 0.00 WT1 O ATOM 6824 H1 TIP3 1288 30.340 64.033 14.453 1.00 0.00 WT1 H ATOM 6825 H2 TIP3 1288 30.301 62.834 13.529 1.00 0.00 WT1 H ATOM 6826 OH2 TIP3 1289 59.306 76.233 -0.545 1.00 0.00 WT1 O ATOM 6827 H1 TIP3 1289 58.499 75.753 -0.730 1.00 0.00 WT1 H ATOM 6828 H2 TIP3 1289 59.467 76.083 0.387 1.00 0.00 WT1 H ATOM 6829 OH2 TIP3 1290 87.399 54.929 9.664 1.00 0.00 WT1 O ATOM 6830 H1 TIP3 1290 87.663 54.839 10.579 1.00 0.00 WT1 H ATOM 6831 H2 TIP3 1290 87.829 55.732 9.368 1.00 0.00 WT1 H ATOM 6832 OH2 TIP3 1291 34.015 81.234 10.480 1.00 0.00 WT1 O ATOM 6833 H1 TIP3 1291 34.861 81.398 10.897 1.00 0.00 WT1 H ATOM 6834 H2 TIP3 1291 34.047 80.313 10.224 1.00 0.00 WT1 H ATOM 6835 OH2 TIP3 1292 36.246 66.199 23.567 1.00 0.00 WT1 O ATOM 6836 H1 TIP3 1292 37.085 66.522 23.239 1.00 0.00 WT1 H ATOM 6837 H2 TIP3 1292 36.427 65.933 24.468 1.00 0.00 WT1 H ATOM 6838 OH2 TIP3 1293 47.968 56.105 18.631 1.00 0.00 WT1 O ATOM 6839 H1 TIP3 1293 47.863 55.412 17.979 1.00 0.00 WT1 H ATOM 6840 H2 TIP3 1293 48.757 55.862 19.115 1.00 0.00 WT1 H ATOM 6841 OH2 TIP3 1295 24.588 58.053 5.765 1.00 0.00 WT1 O ATOM 6842 H1 TIP3 1295 25.537 58.087 5.647 1.00 0.00 WT1 H ATOM 6843 H2 TIP3 1295 24.393 58.782 6.354 1.00 0.00 WT1 H ATOM 6844 OH2 TIP3 1296 72.587 60.945 8.008 1.00 0.00 WT1 O ATOM 6845 H1 TIP3 1296 72.863 61.669 8.569 1.00 0.00 WT1 H ATOM 6846 H2 TIP3 1296 71.681 60.774 8.264 1.00 0.00 WT1 H ATOM 6847 OH2 TIP3 1297 87.651 44.397 7.183 1.00 0.00 WT1 O ATOM 6848 H1 TIP3 1297 87.989 44.530 6.297 1.00 0.00 WT1 H ATOM 6849 H2 TIP3 1297 87.222 45.223 7.402 1.00 0.00 WT1 H ATOM 6850 OH2 TIP3 1298 85.386 29.426 -9.895 1.00 0.00 WT1 O ATOM 6851 H1 TIP3 1298 84.939 29.748 -10.678 1.00 0.00 WT1 H ATOM 6852 H2 TIP3 1298 85.780 28.597 -10.168 1.00 0.00 WT1 H ATOM 6853 OH2 TIP3 1299 67.577 59.658 36.643 1.00 0.00 WT1 O ATOM 6854 H1 TIP3 1299 66.665 59.429 36.825 1.00 0.00 WT1 H ATOM 6855 H2 TIP3 1299 67.572 60.611 36.553 1.00 0.00 WT1 H ATOM 6856 OH2 TIP3 1300 47.729 65.018 10.727 1.00 0.00 WT1 O ATOM 6857 H1 TIP3 1300 48.050 65.911 10.850 1.00 0.00 WT1 H ATOM 6858 H2 TIP3 1300 46.776 65.100 10.757 1.00 0.00 WT1 H ATOM 6859 OH2 TIP3 1301 29.477 21.453 32.941 1.00 0.00 WT1 O ATOM 6860 H1 TIP3 1301 28.907 21.287 32.191 1.00 0.00 WT1 H ATOM 6861 H2 TIP3 1301 29.382 20.676 33.491 1.00 0.00 WT1 H ATOM 6862 OH2 TIP3 1302 47.098 35.666 59.834 1.00 0.00 WT1 O ATOM 6863 H1 TIP3 1302 47.526 35.889 60.661 1.00 0.00 WT1 H ATOM 6864 H2 TIP3 1302 47.562 36.183 59.176 1.00 0.00 WT1 H ATOM 6865 OH2 TIP3 1303 40.404 9.292 61.241 1.00 0.00 WT1 O ATOM 6866 H1 TIP3 1303 39.635 8.722 61.220 1.00 0.00 WT1 H ATOM 6867 H2 TIP3 1303 40.077 10.147 60.963 1.00 0.00 WT1 H ATOM 6868 OH2 TIP3 1304 62.406 55.938 -7.869 1.00 0.00 WT1 O ATOM 6869 H1 TIP3 1304 61.522 56.302 -7.902 1.00 0.00 WT1 H ATOM 6870 H2 TIP3 1304 62.882 56.517 -7.274 1.00 0.00 WT1 H ATOM 6871 OH2 TIP3 1305 22.992 24.234 -9.744 1.00 0.00 WT1 O ATOM 6872 H1 TIP3 1305 23.744 23.781 -9.363 1.00 0.00 WT1 H ATOM 6873 H2 TIP3 1305 23.077 25.137 -9.439 1.00 0.00 WT1 H ATOM 6874 OH2 TIP3 1306 42.231 48.052 14.790 1.00 0.00 WT1 O ATOM 6875 H1 TIP3 1306 43.123 47.729 14.915 1.00 0.00 WT1 H ATOM 6876 H2 TIP3 1306 42.071 48.616 15.547 1.00 0.00 WT1 H ATOM 6877 OH2 TIP3 1307 28.855 24.456 -2.630 1.00 0.00 WT1 O ATOM 6878 H1 TIP3 1307 29.016 24.372 -1.690 1.00 0.00 WT1 H ATOM 6879 H2 TIP3 1307 28.891 25.398 -2.797 1.00 0.00 WT1 H ATOM 6880 OH2 TIP3 1308 76.762 38.875 -19.433 1.00 0.00 WT1 O ATOM 6881 H1 TIP3 1308 77.270 38.071 -19.541 1.00 0.00 WT1 H ATOM 6882 H2 TIP3 1308 76.740 39.263 -20.308 1.00 0.00 WT1 H ATOM 6883 OH2 TIP3 1309 65.785 17.779 16.249 1.00 0.00 WT1 O ATOM 6884 H1 TIP3 1309 65.004 18.312 16.099 1.00 0.00 WT1 H ATOM 6885 H2 TIP3 1309 65.627 16.977 15.751 1.00 0.00 WT1 H ATOM 6886 OH2 TIP3 1311 31.968 78.426 34.531 1.00 0.00 WT1 O ATOM 6887 H1 TIP3 1311 32.109 79.039 33.810 1.00 0.00 WT1 H ATOM 6888 H2 TIP3 1311 32.324 77.596 34.213 1.00 0.00 WT1 H ATOM 6889 OH2 TIP3 1312 85.505 8.443 -1.569 1.00 0.00 WT1 O ATOM 6890 H1 TIP3 1312 86.066 7.875 -2.097 1.00 0.00 WT1 H ATOM 6891 H2 TIP3 1312 85.127 7.861 -0.910 1.00 0.00 WT1 H ATOM 6892 OH2 TIP3 1313 85.338 1.843 42.562 1.00 0.00 WT1 O ATOM 6893 H1 TIP3 1313 86.095 1.286 42.383 1.00 0.00 WT1 H ATOM 6894 H2 TIP3 1313 84.595 1.240 42.586 1.00 0.00 WT1 H ATOM 6895 OH2 TIP3 1314 43.592 4.173 13.900 1.00 0.00 WT1 O ATOM 6896 H1 TIP3 1314 44.035 3.883 14.698 1.00 0.00 WT1 H ATOM 6897 H2 TIP3 1314 42.675 3.934 14.035 1.00 0.00 WT1 H ATOM 6898 OH2 TIP3 1315 79.778 72.018 30.443 1.00 0.00 WT1 O ATOM 6899 H1 TIP3 1315 79.199 71.869 29.695 1.00 0.00 WT1 H ATOM 6900 H2 TIP3 1315 80.440 71.331 30.373 1.00 0.00 WT1 H ATOM 6901 OH2 TIP3 1316 39.522 49.051 13.003 1.00 0.00 WT1 O ATOM 6902 H1 TIP3 1316 40.118 49.179 12.265 1.00 0.00 WT1 H ATOM 6903 H2 TIP3 1316 39.623 49.841 13.534 1.00 0.00 WT1 H ATOM 6904 OH2 TIP3 1317 37.596 36.350 37.273 1.00 0.00 WT1 O ATOM 6905 H1 TIP3 1317 37.324 36.554 36.378 1.00 0.00 WT1 H ATOM 6906 H2 TIP3 1317 37.878 37.190 37.635 1.00 0.00 WT1 H ATOM 6907 OH2 TIP3 1319 58.570 65.584 34.981 1.00 0.00 WT1 O ATOM 6908 H1 TIP3 1319 58.134 66.344 34.595 1.00 0.00 WT1 H ATOM 6909 H2 TIP3 1319 58.873 65.074 34.230 1.00 0.00 WT1 H ATOM 6910 OH2 TIP3 1320 35.426 17.742 6.381 1.00 0.00 WT1 O ATOM 6911 H1 TIP3 1320 35.845 18.541 6.701 1.00 0.00 WT1 H ATOM 6912 H2 TIP3 1320 35.061 17.987 5.531 1.00 0.00 WT1 H ATOM 6913 OH2 TIP3 1321 81.841 31.321 9.574 1.00 0.00 WT1 O ATOM 6914 H1 TIP3 1321 82.353 31.644 8.832 1.00 0.00 WT1 H ATOM 6915 H2 TIP3 1321 81.738 32.084 10.143 1.00 0.00 WT1 H ATOM 6916 OH2 TIP3 1322 40.258 6.937 -16.722 1.00 0.00 WT1 O ATOM 6917 H1 TIP3 1322 40.067 6.798 -17.650 1.00 0.00 WT1 H ATOM 6918 H2 TIP3 1322 40.509 7.859 -16.664 1.00 0.00 WT1 H ATOM 6919 OH2 TIP3 1323 77.695 84.545 20.991 1.00 0.00 WT1 O ATOM 6920 H1 TIP3 1323 77.530 83.819 20.389 1.00 0.00 WT1 H ATOM 6921 H2 TIP3 1323 77.025 85.194 20.774 1.00 0.00 WT1 H ATOM 6922 OH2 TIP3 1324 43.057 21.330 1.518 1.00 0.00 WT1 O ATOM 6923 H1 TIP3 1324 43.029 22.205 1.906 1.00 0.00 WT1 H ATOM 6924 H2 TIP3 1324 42.137 21.086 1.410 1.00 0.00 WT1 H ATOM 6925 OH2 TIP3 1325 84.469 57.459 5.726 1.00 0.00 WT1 O ATOM 6926 H1 TIP3 1325 84.200 56.543 5.661 1.00 0.00 WT1 H ATOM 6927 H2 TIP3 1325 83.647 57.950 5.750 1.00 0.00 WT1 H ATOM 6928 OH2 TIP3 1326 69.984 28.769 -8.282 1.00 0.00 WT1 O ATOM 6929 H1 TIP3 1326 69.454 27.997 -8.082 1.00 0.00 WT1 H ATOM 6930 H2 TIP3 1326 69.857 29.348 -7.530 1.00 0.00 WT1 H ATOM 6931 OH2 TIP3 1327 79.293 84.216 -0.605 1.00 0.00 WT1 O ATOM 6932 H1 TIP3 1327 78.646 84.815 -0.232 1.00 0.00 WT1 H ATOM 6933 H2 TIP3 1327 79.982 84.789 -0.943 1.00 0.00 WT1 H ATOM 6934 OH2 TIP3 1328 37.456 9.476 2.779 1.00 0.00 WT1 O ATOM 6935 H1 TIP3 1328 37.679 9.506 1.848 1.00 0.00 WT1 H ATOM 6936 H2 TIP3 1328 37.252 8.556 2.947 1.00 0.00 WT1 H ATOM 6937 OH2 TIP3 1329 76.761 85.283 3.532 1.00 0.00 WT1 O ATOM 6938 H1 TIP3 1329 75.833 85.445 3.361 1.00 0.00 WT1 H ATOM 6939 H2 TIP3 1329 77.030 86.007 4.098 1.00 0.00 WT1 H ATOM 6940 OH2 TIP3 1330 85.177 42.620 -13.871 1.00 0.00 WT1 O ATOM 6941 H1 TIP3 1330 85.050 41.726 -13.554 1.00 0.00 WT1 H ATOM 6942 H2 TIP3 1330 84.669 43.162 -13.267 1.00 0.00 WT1 H ATOM 6943 OH2 TIP3 1332 40.731 31.754 65.136 1.00 0.00 WT1 O ATOM 6944 H1 TIP3 1332 40.565 31.945 64.213 1.00 0.00 WT1 H ATOM 6945 H2 TIP3 1332 40.340 30.892 65.277 1.00 0.00 WT1 H ATOM 6946 OH2 TIP3 1333 58.239 93.564 34.946 1.00 0.00 WT1 O ATOM 6947 H1 TIP3 1333 57.366 93.917 34.775 1.00 0.00 WT1 H ATOM 6948 H2 TIP3 1333 58.099 92.625 35.065 1.00 0.00 WT1 H ATOM 6949 OH2 TIP3 1334 47.626 6.459 11.791 1.00 0.00 WT1 O ATOM 6950 H1 TIP3 1334 47.920 7.229 12.278 1.00 0.00 WT1 H ATOM 6951 H2 TIP3 1334 47.734 5.732 12.405 1.00 0.00 WT1 H ATOM 6952 OH2 TIP3 1335 66.288 34.141 58.217 1.00 0.00 WT1 O ATOM 6953 H1 TIP3 1335 66.531 34.333 59.123 1.00 0.00 WT1 H ATOM 6954 H2 TIP3 1335 65.694 34.851 57.972 1.00 0.00 WT1 H ATOM 6955 OH2 TIP3 1336 51.369 48.602 37.670 1.00 0.00 WT1 O ATOM 6956 H1 TIP3 1336 52.085 49.101 37.278 1.00 0.00 WT1 H ATOM 6957 H2 TIP3 1336 51.435 48.784 38.608 1.00 0.00 WT1 H ATOM 6958 OH2 TIP3 1337 26.696 3.371 2.325 1.00 0.00 WT1 O ATOM 6959 H1 TIP3 1337 27.595 3.183 2.595 1.00 0.00 WT1 H ATOM 6960 H2 TIP3 1337 26.171 2.692 2.748 1.00 0.00 WT1 H ATOM 6961 OH2 TIP3 1338 51.038 33.796 49.284 1.00 0.00 WT1 O ATOM 6962 H1 TIP3 1338 51.096 34.667 48.891 1.00 0.00 WT1 H ATOM 6963 H2 TIP3 1338 51.455 33.217 48.646 1.00 0.00 WT1 H ATOM 6964 OH2 TIP3 1339 64.284 34.900 60.814 1.00 0.00 WT1 O ATOM 6965 H1 TIP3 1339 63.471 34.515 60.487 1.00 0.00 WT1 H ATOM 6966 H2 TIP3 1339 63.998 35.596 61.406 1.00 0.00 WT1 H ATOM 6967 OH2 TIP3 1340 79.576 25.149 -3.772 1.00 0.00 WT1 O ATOM 6968 H1 TIP3 1340 79.393 25.444 -4.664 1.00 0.00 WT1 H ATOM 6969 H2 TIP3 1340 80.451 24.764 -3.821 1.00 0.00 WT1 H ATOM 6970 OH2 TIP3 1342 36.822 10.508 31.565 1.00 0.00 WT1 O ATOM 6971 H1 TIP3 1342 37.020 10.676 30.644 1.00 0.00 WT1 H ATOM 6972 H2 TIP3 1342 35.866 10.459 31.600 1.00 0.00 WT1 H ATOM 6973 OH2 TIP3 1343 23.385 2.981 -0.757 1.00 0.00 WT1 O ATOM 6974 H1 TIP3 1343 23.032 2.174 -0.384 1.00 0.00 WT1 H ATOM 6975 H2 TIP3 1343 24.284 3.024 -0.430 1.00 0.00 WT1 H ATOM 6976 OH2 TIP3 1344 88.547 46.694 64.446 1.00 0.00 WT1 O ATOM 6977 H1 TIP3 1344 88.181 47.054 63.639 1.00 0.00 WT1 H ATOM 6978 H2 TIP3 1344 87.866 46.109 64.779 1.00 0.00 WT1 H ATOM 6979 OH2 TIP3 1345 68.816 61.201 54.816 1.00 0.00 WT1 O ATOM 6980 H1 TIP3 1345 68.156 61.884 54.937 1.00 0.00 WT1 H ATOM 6981 H2 TIP3 1345 68.514 60.706 54.055 1.00 0.00 WT1 H ATOM 6982 OH2 TIP3 1346 41.886 22.288 56.353 1.00 0.00 WT1 O ATOM 6983 H1 TIP3 1346 41.960 22.736 55.510 1.00 0.00 WT1 H ATOM 6984 H2 TIP3 1346 41.676 21.383 56.125 1.00 0.00 WT1 H ATOM 6985 OH2 TIP3 1347 57.541 2.257 23.574 1.00 0.00 WT1 O ATOM 6986 H1 TIP3 1347 57.184 1.373 23.661 1.00 0.00 WT1 H ATOM 6987 H2 TIP3 1347 58.463 2.168 23.816 1.00 0.00 WT1 H ATOM 6988 OH2 TIP3 1348 38.260 66.235 40.241 1.00 0.00 WT1 O ATOM 6989 H1 TIP3 1348 39.213 66.265 40.161 1.00 0.00 WT1 H ATOM 6990 H2 TIP3 1348 37.938 66.532 39.390 1.00 0.00 WT1 H ATOM 6991 OH2 TIP3 1349 87.109 64.217 -10.808 1.00 0.00 WT1 O ATOM 6992 H1 TIP3 1349 87.093 63.340 -11.190 1.00 0.00 WT1 H ATOM 6993 H2 TIP3 1349 86.649 64.124 -9.974 1.00 0.00 WT1 H ATOM 6994 OH2 TIP3 1350 53.658 56.572 52.344 1.00 0.00 WT1 O ATOM 6995 H1 TIP3 1350 52.724 56.777 52.380 1.00 0.00 WT1 H ATOM 6996 H2 TIP3 1350 53.699 55.710 51.929 1.00 0.00 WT1 H ATOM 6997 OH2 TIP3 1351 53.242 32.195 40.825 1.00 0.00 WT1 O ATOM 6998 H1 TIP3 1351 52.372 32.107 41.214 1.00 0.00 WT1 H ATOM 6999 H2 TIP3 1351 53.121 31.945 39.908 1.00 0.00 WT1 H ATOM 7000 OH2 TIP3 1352 63.866 73.600 41.365 1.00 0.00 WT1 O ATOM 7001 H1 TIP3 1352 64.471 72.858 41.348 1.00 0.00 WT1 H ATOM 7002 H2 TIP3 1352 63.894 73.954 40.476 1.00 0.00 WT1 H ATOM 7003 OH2 TIP3 1353 80.081 47.658 -16.472 1.00 0.00 WT1 O ATOM 7004 H1 TIP3 1353 80.298 48.338 -17.109 1.00 0.00 WT1 H ATOM 7005 H2 TIP3 1353 79.704 48.133 -15.731 1.00 0.00 WT1 H ATOM 7006 OH2 TIP3 1354 58.723 37.198 62.458 1.00 0.00 WT1 O ATOM 7007 H1 TIP3 1354 58.890 37.690 61.654 1.00 0.00 WT1 H ATOM 7008 H2 TIP3 1354 58.581 37.869 63.125 1.00 0.00 WT1 H ATOM 7009 OH2 TIP3 1355 45.868 34.064 62.075 1.00 0.00 WT1 O ATOM 7010 H1 TIP3 1355 45.832 34.802 62.684 1.00 0.00 WT1 H ATOM 7011 H2 TIP3 1355 46.683 33.613 62.294 1.00 0.00 WT1 H ATOM 7012 OH2 TIP3 1356 62.830 33.502 5.972 1.00 0.00 WT1 O ATOM 7013 H1 TIP3 1356 62.592 32.600 5.756 1.00 0.00 WT1 H ATOM 7014 H2 TIP3 1356 62.036 33.874 6.356 1.00 0.00 WT1 H ATOM 7015 OH2 TIP3 1357 42.687 72.324 51.113 1.00 0.00 WT1 O ATOM 7016 H1 TIP3 1357 42.834 72.103 50.194 1.00 0.00 WT1 H ATOM 7017 H2 TIP3 1357 42.852 71.508 51.586 1.00 0.00 WT1 H ATOM 7018 OH2 TIP3 1358 90.104 38.244 24.192 1.00 0.00 WT1 O ATOM 7019 H1 TIP3 1358 89.411 38.066 23.556 1.00 0.00 WT1 H ATOM 7020 H2 TIP3 1358 90.894 38.351 23.662 1.00 0.00 WT1 H ATOM 7021 OH2 TIP3 1359 89.137 87.200 -2.863 1.00 0.00 WT1 O ATOM 7022 H1 TIP3 1359 90.020 86.848 -2.749 1.00 0.00 WT1 H ATOM 7023 H2 TIP3 1359 89.228 88.137 -2.689 1.00 0.00 WT1 H ATOM 7024 OH2 TIP3 1360 75.192 16.290 50.646 1.00 0.00 WT1 O ATOM 7025 H1 TIP3 1360 74.604 17.044 50.699 1.00 0.00 WT1 H ATOM 7026 H2 TIP3 1360 74.900 15.813 49.869 1.00 0.00 WT1 H ATOM 7027 OH2 TIP3 1361 73.256 48.102 21.995 1.00 0.00 WT1 O ATOM 7028 H1 TIP3 1361 72.490 48.254 21.441 1.00 0.00 WT1 H ATOM 7029 H2 TIP3 1361 73.234 47.164 22.183 1.00 0.00 WT1 H ATOM 7030 OH2 TIP3 1362 51.007 6.320 -7.977 1.00 0.00 WT1 O ATOM 7031 H1 TIP3 1362 51.313 7.100 -8.440 1.00 0.00 WT1 H ATOM 7032 H2 TIP3 1362 50.308 5.971 -8.529 1.00 0.00 WT1 H ATOM 7033 OH2 TIP3 1363 64.522 41.482 44.257 1.00 0.00 WT1 O ATOM 7034 H1 TIP3 1363 64.549 41.178 43.350 1.00 0.00 WT1 H ATOM 7035 H2 TIP3 1363 65.127 42.223 44.279 1.00 0.00 WT1 H ATOM 7036 OH2 TIP3 1364 23.540 35.439 55.920 1.00 0.00 WT1 O ATOM 7037 H1 TIP3 1364 23.914 34.584 55.707 1.00 0.00 WT1 H ATOM 7038 H2 TIP3 1364 22.798 35.532 55.322 1.00 0.00 WT1 H ATOM 7039 OH2 TIP3 1365 58.006 3.446 50.300 1.00 0.00 WT1 O ATOM 7040 H1 TIP3 1365 57.622 4.308 50.137 1.00 0.00 WT1 H ATOM 7041 H2 TIP3 1365 57.821 3.271 51.222 1.00 0.00 WT1 H ATOM 7042 OH2 TIP3 1366 32.479 78.834 14.448 1.00 0.00 WT1 O ATOM 7043 H1 TIP3 1366 32.599 78.614 13.524 1.00 0.00 WT1 H ATOM 7044 H2 TIP3 1366 31.865 79.569 14.441 1.00 0.00 WT1 H ATOM 7045 OH2 TIP3 1367 82.884 91.941 48.668 1.00 0.00 WT1 O ATOM 7046 H1 TIP3 1367 83.636 92.083 48.093 1.00 0.00 WT1 H ATOM 7047 H2 TIP3 1367 83.120 91.170 49.185 1.00 0.00 WT1 H ATOM 7048 OH2 TIP3 1368 80.186 29.819 48.819 1.00 0.00 WT1 O ATOM 7049 H1 TIP3 1368 80.807 29.451 49.448 1.00 0.00 WT1 H ATOM 7050 H2 TIP3 1368 80.380 29.367 47.998 1.00 0.00 WT1 H ATOM 7051 OH2 TIP3 1369 55.732 80.006 28.076 1.00 0.00 WT1 O ATOM 7052 H1 TIP3 1369 55.555 80.919 28.303 1.00 0.00 WT1 H ATOM 7053 H2 TIP3 1369 54.960 79.529 28.380 1.00 0.00 WT1 H ATOM 7054 OH2 TIP3 1370 76.117 2.108 49.791 1.00 0.00 WT1 O ATOM 7055 H1 TIP3 1370 76.194 1.811 48.884 1.00 0.00 WT1 H ATOM 7056 H2 TIP3 1370 76.606 2.930 49.817 1.00 0.00 WT1 H ATOM 7057 OH2 TIP3 1371 31.822 26.997 -18.297 1.00 0.00 WT1 O ATOM 7058 H1 TIP3 1371 31.005 27.496 -18.265 1.00 0.00 WT1 H ATOM 7059 H2 TIP3 1371 32.055 26.859 -17.379 1.00 0.00 WT1 H ATOM 7060 OH2 TIP3 1372 66.499 24.676 -14.006 1.00 0.00 WT1 O ATOM 7061 H1 TIP3 1372 65.907 25.078 -14.641 1.00 0.00 WT1 H ATOM 7062 H2 TIP3 1372 66.058 24.786 -13.163 1.00 0.00 WT1 H ATOM 7063 OH2 TIP3 1373 62.796 48.994 -4.078 1.00 0.00 WT1 O ATOM 7064 H1 TIP3 1373 62.729 48.436 -3.303 1.00 0.00 WT1 H ATOM 7065 H2 TIP3 1373 62.157 48.630 -4.691 1.00 0.00 WT1 H ATOM 7066 OH2 TIP3 1374 51.713 2.573 -0.645 1.00 0.00 WT1 O ATOM 7067 H1 TIP3 1374 52.405 2.882 -1.230 1.00 0.00 WT1 H ATOM 7068 H2 TIP3 1374 50.905 2.920 -1.025 1.00 0.00 WT1 H ATOM 7069 OH2 TIP3 1375 71.740 45.836 -2.044 1.00 0.00 WT1 O ATOM 7070 H1 TIP3 1375 72.193 46.606 -1.702 1.00 0.00 WT1 H ATOM 7071 H2 TIP3 1375 70.810 46.030 -1.921 1.00 0.00 WT1 H ATOM 7072 OH2 TIP3 1376 64.653 63.699 58.217 1.00 0.00 WT1 O ATOM 7073 H1 TIP3 1376 63.743 63.816 58.491 1.00 0.00 WT1 H ATOM 7074 H2 TIP3 1376 64.607 63.077 57.491 1.00 0.00 WT1 H ATOM 7075 OH2 TIP3 1377 70.218 72.032 -2.293 1.00 0.00 WT1 O ATOM 7076 H1 TIP3 1377 69.554 71.363 -2.123 1.00 0.00 WT1 H ATOM 7077 H2 TIP3 1377 69.755 72.709 -2.788 1.00 0.00 WT1 H ATOM 7078 OH2 TIP3 1378 22.507 32.774 9.616 1.00 0.00 WT1 O ATOM 7079 H1 TIP3 1378 22.422 33.405 10.330 1.00 0.00 WT1 H ATOM 7080 H2 TIP3 1378 23.280 33.064 9.131 1.00 0.00 WT1 H ATOM 7081 OH2 TIP3 1379 26.092 1.762 29.242 1.00 0.00 WT1 O ATOM 7082 H1 TIP3 1379 25.215 1.769 28.859 1.00 0.00 WT1 H ATOM 7083 H2 TIP3 1379 26.228 0.855 29.514 1.00 0.00 WT1 H ATOM 7084 OH2 TIP3 1380 49.216 95.203 38.716 1.00 0.00 WT1 O ATOM 7085 H1 TIP3 1380 49.761 94.799 38.040 1.00 0.00 WT1 H ATOM 7086 H2 TIP3 1380 48.955 94.475 39.280 1.00 0.00 WT1 H ATOM 7087 OH2 TIP3 1381 88.221 11.151 62.916 1.00 0.00 WT1 O ATOM 7088 H1 TIP3 1381 88.166 10.560 62.165 1.00 0.00 WT1 H ATOM 7089 H2 TIP3 1381 88.800 11.856 62.624 1.00 0.00 WT1 H ATOM 7090 OH2 TIP3 1382 78.261 75.653 56.393 1.00 0.00 WT1 O ATOM 7091 H1 TIP3 1382 78.102 76.515 56.777 1.00 0.00 WT1 H ATOM 7092 H2 TIP3 1382 78.852 75.221 57.009 1.00 0.00 WT1 H ATOM 7093 OH2 TIP3 1383 85.924 -0.388 58.273 1.00 0.00 WT1 O ATOM 7094 H1 TIP3 1383 85.906 0.362 57.679 1.00 0.00 WT1 H ATOM 7095 H2 TIP3 1383 86.462 -0.099 59.009 1.00 0.00 WT1 H ATOM 7096 OH2 TIP3 1384 59.966 18.274 3.237 1.00 0.00 WT1 O ATOM 7097 H1 TIP3 1384 59.300 17.817 3.751 1.00 0.00 WT1 H ATOM 7098 H2 TIP3 1384 59.480 18.944 2.757 1.00 0.00 WT1 H ATOM 7099 OH2 TIP3 1385 44.871 76.857 0.863 1.00 0.00 WT1 O ATOM 7100 H1 TIP3 1385 45.081 76.871 1.796 1.00 0.00 WT1 H ATOM 7101 H2 TIP3 1385 45.100 75.973 0.578 1.00 0.00 WT1 H ATOM 7102 OH2 TIP3 1387 83.514 19.403 4.667 1.00 0.00 WT1 O ATOM 7103 H1 TIP3 1387 83.424 20.266 5.072 1.00 0.00 WT1 H ATOM 7104 H2 TIP3 1387 84.393 19.405 4.289 1.00 0.00 WT1 H ATOM 7105 OH2 TIP3 1388 34.996 84.767 11.904 1.00 0.00 WT1 O ATOM 7106 H1 TIP3 1388 34.640 84.225 11.200 1.00 0.00 WT1 H ATOM 7107 H2 TIP3 1388 35.606 84.191 12.365 1.00 0.00 WT1 H ATOM 7108 OH2 TIP3 1389 84.975 93.435 -12.135 1.00 0.00 WT1 O ATOM 7109 H1 TIP3 1389 85.835 93.641 -12.501 1.00 0.00 WT1 H ATOM 7110 H2 TIP3 1389 84.478 93.083 -12.873 1.00 0.00 WT1 H ATOM 7111 OH2 TIP3 1390 44.026 28.326 29.171 1.00 0.00 WT1 O ATOM 7112 H1 TIP3 1390 43.390 27.813 28.673 1.00 0.00 WT1 H ATOM 7113 H2 TIP3 1390 43.497 28.826 29.793 1.00 0.00 WT1 H ATOM 7114 OH2 TIP3 1391 56.501 70.179 31.048 1.00 0.00 WT1 O ATOM 7115 H1 TIP3 1391 56.475 69.976 31.983 1.00 0.00 WT1 H ATOM 7116 H2 TIP3 1391 55.740 69.726 30.683 1.00 0.00 WT1 H ATOM 7117 OH2 TIP3 1392 29.442 61.597 8.069 1.00 0.00 WT1 O ATOM 7118 H1 TIP3 1392 29.849 61.453 8.923 1.00 0.00 WT1 H ATOM 7119 H2 TIP3 1392 29.929 62.330 7.692 1.00 0.00 WT1 H ATOM 7120 OH2 TIP3 1393 29.469 91.119 66.095 1.00 0.00 WT1 O ATOM 7121 H1 TIP3 1393 28.599 91.043 65.705 1.00 0.00 WT1 H ATOM 7122 H2 TIP3 1393 29.819 90.229 66.075 1.00 0.00 WT1 H ATOM 7123 OH2 TIP3 1394 63.341 0.561 57.693 1.00 0.00 WT1 O ATOM 7124 H1 TIP3 1394 63.965 0.185 57.072 1.00 0.00 WT1 H ATOM 7125 H2 TIP3 1394 63.415 1.506 57.566 1.00 0.00 WT1 H ATOM 7126 OH2 TIP3 1395 48.032 19.141 15.941 1.00 0.00 WT1 O ATOM 7127 H1 TIP3 1395 47.456 19.808 16.314 1.00 0.00 WT1 H ATOM 7128 H2 TIP3 1395 48.285 19.493 15.088 1.00 0.00 WT1 H ATOM 7129 OH2 TIP3 1396 24.177 79.129 16.742 1.00 0.00 WT1 O ATOM 7130 H1 TIP3 1396 23.650 79.539 17.427 1.00 0.00 WT1 H ATOM 7131 H2 TIP3 1396 24.190 78.200 16.973 1.00 0.00 WT1 H ATOM 7132 OH2 TIP3 1397 29.465 4.715 34.041 1.00 0.00 WT1 O ATOM 7133 H1 TIP3 1397 29.340 4.158 33.273 1.00 0.00 WT1 H ATOM 7134 H2 TIP3 1397 29.594 5.593 33.682 1.00 0.00 WT1 H ATOM 7135 OH2 TIP3 1398 41.090 74.245 11.716 1.00 0.00 WT1 O ATOM 7136 H1 TIP3 1398 40.869 74.504 12.611 1.00 0.00 WT1 H ATOM 7137 H2 TIP3 1398 40.775 73.344 11.642 1.00 0.00 WT1 H ATOM 7138 OH2 TIP3 1399 62.654 79.487 43.713 1.00 0.00 WT1 O ATOM 7139 H1 TIP3 1399 63.470 79.060 43.449 1.00 0.00 WT1 H ATOM 7140 H2 TIP3 1399 61.982 78.816 43.592 1.00 0.00 WT1 H ATOM 7141 OH2 TIP3 1400 85.809 73.694 10.723 1.00 0.00 WT1 O ATOM 7142 H1 TIP3 1400 86.535 74.079 11.213 1.00 0.00 WT1 H ATOM 7143 H2 TIP3 1400 86.224 73.279 9.966 1.00 0.00 WT1 H ATOM 7144 OH2 TIP3 1401 72.646 38.574 9.611 1.00 0.00 WT1 O ATOM 7145 H1 TIP3 1401 72.466 39.514 9.576 1.00 0.00 WT1 H ATOM 7146 H2 TIP3 1401 73.001 38.430 10.488 1.00 0.00 WT1 H ATOM 7147 OH2 TIP3 1402 23.479 10.564 7.639 1.00 0.00 WT1 O ATOM 7148 H1 TIP3 1402 24.069 10.822 8.348 1.00 0.00 WT1 H ATOM 7149 H2 TIP3 1402 22.862 11.291 7.564 1.00 0.00 WT1 H ATOM 7150 OH2 TIP3 1403 69.258 43.641 -0.268 1.00 0.00 WT1 O ATOM 7151 H1 TIP3 1403 70.156 43.386 -0.057 1.00 0.00 WT1 H ATOM 7152 H2 TIP3 1403 69.150 43.401 -1.188 1.00 0.00 WT1 H ATOM 7153 OH2 TIP3 1404 37.993 75.244 30.556 1.00 0.00 WT1 O ATOM 7154 H1 TIP3 1404 38.403 74.929 29.750 1.00 0.00 WT1 H ATOM 7155 H2 TIP3 1404 38.717 75.327 31.177 1.00 0.00 WT1 H ATOM 7156 OH2 TIP3 1405 88.597 79.506 -12.954 1.00 0.00 WT1 O ATOM 7157 H1 TIP3 1405 89.024 78.899 -13.559 1.00 0.00 WT1 H ATOM 7158 H2 TIP3 1405 88.864 79.206 -12.085 1.00 0.00 WT1 H ATOM 7159 OH2 TIP3 1406 41.931 27.653 -18.219 1.00 0.00 WT1 O ATOM 7160 H1 TIP3 1406 41.798 27.627 -19.166 1.00 0.00 WT1 H ATOM 7161 H2 TIP3 1406 42.528 28.388 -18.080 1.00 0.00 WT1 H ATOM 7162 OH2 TIP3 1407 79.496 19.142 44.847 1.00 0.00 WT1 O ATOM 7163 H1 TIP3 1407 78.935 18.524 44.378 1.00 0.00 WT1 H ATOM 7164 H2 TIP3 1407 79.845 19.715 44.164 1.00 0.00 WT1 H ATOM 7165 OH2 TIP3 1408 23.698 49.859 32.716 1.00 0.00 WT1 O ATOM 7166 H1 TIP3 1408 22.960 50.356 32.362 1.00 0.00 WT1 H ATOM 7167 H2 TIP3 1408 24.052 49.387 31.962 1.00 0.00 WT1 H ATOM 7168 OH2 TIP3 1409 82.167 32.053 18.929 1.00 0.00 WT1 O ATOM 7169 H1 TIP3 1409 81.970 32.473 19.766 1.00 0.00 WT1 H ATOM 7170 H2 TIP3 1409 82.813 32.627 18.519 1.00 0.00 WT1 H ATOM 7171 OH2 TIP3 1410 25.227 6.288 58.767 1.00 0.00 WT1 O ATOM 7172 H1 TIP3 1410 25.167 7.243 58.741 1.00 0.00 WT1 H ATOM 7173 H2 TIP3 1410 26.056 6.087 58.333 1.00 0.00 WT1 H ATOM 7174 OH2 TIP3 1411 25.450 79.205 49.551 1.00 0.00 WT1 O ATOM 7175 H1 TIP3 1411 26.113 78.515 49.560 1.00 0.00 WT1 H ATOM 7176 H2 TIP3 1411 24.664 78.787 49.902 1.00 0.00 WT1 H ATOM 7177 OH2 TIP3 1412 44.133 79.962 4.040 1.00 0.00 WT1 O ATOM 7178 H1 TIP3 1412 43.959 80.373 3.194 1.00 0.00 WT1 H ATOM 7179 H2 TIP3 1412 45.071 80.090 4.180 1.00 0.00 WT1 H ATOM 7180 OH2 TIP3 1413 54.648 93.644 25.403 1.00 0.00 WT1 O ATOM 7181 H1 TIP3 1413 54.183 93.316 26.172 1.00 0.00 WT1 H ATOM 7182 H2 TIP3 1413 55.490 93.947 25.742 1.00 0.00 WT1 H ATOM 7183 OH2 TIP3 1414 35.361 94.672 -15.255 1.00 0.00 WT1 O ATOM 7184 H1 TIP3 1414 35.423 95.372 -14.605 1.00 0.00 WT1 H ATOM 7185 H2 TIP3 1414 35.689 95.065 -16.064 1.00 0.00 WT1 H ATOM 7186 OH2 TIP3 1415 75.217 30.374 25.039 1.00 0.00 WT1 O ATOM 7187 H1 TIP3 1415 75.718 31.162 25.251 1.00 0.00 WT1 H ATOM 7188 H2 TIP3 1415 74.347 30.539 25.401 1.00 0.00 WT1 H ATOM 7189 OH2 TIP3 1416 50.673 55.911 1.074 1.00 0.00 WT1 O ATOM 7190 H1 TIP3 1416 49.949 56.465 1.367 1.00 0.00 WT1 H ATOM 7191 H2 TIP3 1416 51.377 56.087 1.699 1.00 0.00 WT1 H ATOM 7192 OH2 TIP3 1417 52.062 50.575 64.984 1.00 0.00 WT1 O ATOM 7193 H1 TIP3 1417 51.166 50.724 65.284 1.00 0.00 WT1 H ATOM 7194 H2 TIP3 1417 51.977 50.412 64.045 1.00 0.00 WT1 H ATOM 7195 OH2 TIP3 1418 25.063 77.604 -2.706 1.00 0.00 WT1 O ATOM 7196 H1 TIP3 1418 25.830 77.492 -3.267 1.00 0.00 WT1 H ATOM 7197 H2 TIP3 1418 25.051 76.819 -2.158 1.00 0.00 WT1 H ATOM 7198 OH2 TIP3 1419 73.034 41.936 62.886 1.00 0.00 WT1 O ATOM 7199 H1 TIP3 1419 73.286 42.703 62.373 1.00 0.00 WT1 H ATOM 7200 H2 TIP3 1419 72.515 42.290 63.609 1.00 0.00 WT1 H ATOM 7201 OH2 TIP3 1421 30.165 60.490 54.340 1.00 0.00 WT1 O ATOM 7202 H1 TIP3 1421 30.481 61.352 54.069 1.00 0.00 WT1 H ATOM 7203 H2 TIP3 1421 29.306 60.408 53.925 1.00 0.00 WT1 H ATOM 7204 OH2 TIP3 1422 56.914 1.139 44.943 1.00 0.00 WT1 O ATOM 7205 H1 TIP3 1422 57.838 0.890 44.933 1.00 0.00 WT1 H ATOM 7206 H2 TIP3 1422 56.832 1.786 44.243 1.00 0.00 WT1 H ATOM 7207 OH2 TIP3 1423 29.575 17.336 -1.415 1.00 0.00 WT1 O ATOM 7208 H1 TIP3 1423 28.998 17.478 -0.665 1.00 0.00 WT1 H ATOM 7209 H2 TIP3 1423 30.259 18.000 -1.321 1.00 0.00 WT1 H ATOM 7210 OH2 TIP3 1424 36.557 92.828 48.820 1.00 0.00 WT1 O ATOM 7211 H1 TIP3 1424 36.978 93.685 48.890 1.00 0.00 WT1 H ATOM 7212 H2 TIP3 1424 35.646 92.987 49.069 1.00 0.00 WT1 H ATOM 7213 OH2 TIP3 1426 27.746 32.935 -9.997 1.00 0.00 WT1 O ATOM 7214 H1 TIP3 1426 27.367 33.240 -10.821 1.00 0.00 WT1 H ATOM 7215 H2 TIP3 1426 27.495 33.601 -9.357 1.00 0.00 WT1 H ATOM 7216 OH2 TIP3 1428 44.471 4.191 -1.234 1.00 0.00 WT1 O ATOM 7217 H1 TIP3 1428 43.552 4.161 -0.970 1.00 0.00 WT1 H ATOM 7218 H2 TIP3 1428 44.447 4.176 -2.191 1.00 0.00 WT1 H ATOM 7219 OH2 TIP3 1429 66.373 21.275 11.676 1.00 0.00 WT1 O ATOM 7220 H1 TIP3 1429 65.647 21.898 11.716 1.00 0.00 WT1 H ATOM 7221 H2 TIP3 1429 66.606 21.119 12.591 1.00 0.00 WT1 H ATOM 7222 OH2 TIP3 1430 76.642 24.594 -2.927 1.00 0.00 WT1 O ATOM 7223 H1 TIP3 1430 77.291 25.285 -2.796 1.00 0.00 WT1 H ATOM 7224 H2 TIP3 1430 76.939 24.130 -3.710 1.00 0.00 WT1 H ATOM 7225 OH2 TIP3 1431 21.266 41.317 43.155 1.00 0.00 WT1 O ATOM 7226 H1 TIP3 1431 21.905 41.583 42.494 1.00 0.00 WT1 H ATOM 7227 H2 TIP3 1431 20.630 42.032 43.175 1.00 0.00 WT1 H ATOM 7228 OH2 TIP3 1432 25.521 21.151 34.346 1.00 0.00 WT1 O ATOM 7229 H1 TIP3 1432 25.965 21.685 35.005 1.00 0.00 WT1 H ATOM 7230 H2 TIP3 1432 26.069 20.370 34.261 1.00 0.00 WT1 H ATOM 7231 OH2 TIP3 1433 32.676 23.175 24.737 1.00 0.00 WT1 O ATOM 7232 H1 TIP3 1433 32.920 24.097 24.820 1.00 0.00 WT1 H ATOM 7233 H2 TIP3 1433 32.184 23.130 23.917 1.00 0.00 WT1 H ATOM 7234 OH2 TIP3 1434 31.785 38.263 47.417 1.00 0.00 WT1 O ATOM 7235 H1 TIP3 1434 31.897 37.319 47.523 1.00 0.00 WT1 H ATOM 7236 H2 TIP3 1434 32.656 38.584 47.185 1.00 0.00 WT1 H ATOM 7237 OH2 TIP3 1435 80.954 94.261 12.302 1.00 0.00 WT1 O ATOM 7238 H1 TIP3 1435 81.480 93.966 11.559 1.00 0.00 WT1 H ATOM 7239 H2 TIP3 1435 80.196 93.676 12.308 1.00 0.00 WT1 H ATOM 7240 OH2 TIP3 1436 36.594 55.474 35.836 1.00 0.00 WT1 O ATOM 7241 H1 TIP3 1436 36.518 56.295 35.349 1.00 0.00 WT1 H ATOM 7242 H2 TIP3 1436 37.287 55.639 36.476 1.00 0.00 WT1 H ATOM 7243 OH2 TIP3 1437 55.613 82.468 15.135 1.00 0.00 WT1 O ATOM 7244 H1 TIP3 1437 56.283 82.813 14.545 1.00 0.00 WT1 H ATOM 7245 H2 TIP3 1437 55.102 83.234 15.393 1.00 0.00 WT1 H ATOM 7246 OH2 TIP3 1438 85.180 82.075 9.341 1.00 0.00 WT1 O ATOM 7247 H1 TIP3 1438 84.255 81.832 9.398 1.00 0.00 WT1 H ATOM 7248 H2 TIP3 1438 85.612 81.532 10.000 1.00 0.00 WT1 H ATOM 7249 OH2 TIP3 1439 27.487 35.265 -7.946 1.00 0.00 WT1 O ATOM 7250 H1 TIP3 1439 26.690 35.456 -7.452 1.00 0.00 WT1 H ATOM 7251 H2 TIP3 1439 27.969 36.092 -7.954 1.00 0.00 WT1 H ATOM 7252 OH2 TIP3 1440 65.352 38.861 45.729 1.00 0.00 WT1 O ATOM 7253 H1 TIP3 1440 64.958 39.547 45.189 1.00 0.00 WT1 H ATOM 7254 H2 TIP3 1440 64.660 38.612 46.341 1.00 0.00 WT1 H ATOM 7255 OH2 TIP3 1441 79.909 37.485 15.731 1.00 0.00 WT1 O ATOM 7256 H1 TIP3 1441 79.288 36.964 16.240 1.00 0.00 WT1 H ATOM 7257 H2 TIP3 1441 80.617 36.876 15.521 1.00 0.00 WT1 H ATOM 7258 OH2 TIP3 1442 54.346 11.525 29.121 1.00 0.00 WT1 O ATOM 7259 H1 TIP3 1442 54.448 12.477 29.111 1.00 0.00 WT1 H ATOM 7260 H2 TIP3 1442 53.568 11.373 29.658 1.00 0.00 WT1 H ATOM 7261 OH2 TIP3 1443 41.914 5.092 11.782 1.00 0.00 WT1 O ATOM 7262 H1 TIP3 1443 42.761 4.684 11.960 1.00 0.00 WT1 H ATOM 7263 H2 TIP3 1443 41.694 5.552 12.593 1.00 0.00 WT1 H ATOM 7264 OH2 TIP3 1444 26.208 86.425 16.687 1.00 0.00 WT1 O ATOM 7265 H1 TIP3 1444 26.606 85.808 16.073 1.00 0.00 WT1 H ATOM 7266 H2 TIP3 1444 26.163 87.250 16.205 1.00 0.00 WT1 H ATOM 7267 OH2 TIP3 1445 28.668 63.084 33.509 1.00 0.00 WT1 O ATOM 7268 H1 TIP3 1445 28.011 63.755 33.696 1.00 0.00 WT1 H ATOM 7269 H2 TIP3 1445 29.056 63.354 32.677 1.00 0.00 WT1 H ATOM 7270 OH2 TIP3 1446 33.410 21.972 52.093 1.00 0.00 WT1 O ATOM 7271 H1 TIP3 1446 33.682 22.186 52.985 1.00 0.00 WT1 H ATOM 7272 H2 TIP3 1446 33.276 21.024 52.103 1.00 0.00 WT1 H ATOM 7273 OH2 TIP3 1447 65.042 38.793 50.950 1.00 0.00 WT1 O ATOM 7274 H1 TIP3 1447 64.168 39.127 51.153 1.00 0.00 WT1 H ATOM 7275 H2 TIP3 1447 64.953 37.841 51.003 1.00 0.00 WT1 H ATOM 7276 OH2 TIP3 1448 30.692 41.277 12.762 1.00 0.00 WT1 O ATOM 7277 H1 TIP3 1448 31.164 40.753 13.410 1.00 0.00 WT1 H ATOM 7278 H2 TIP3 1448 30.718 42.168 13.108 1.00 0.00 WT1 H ATOM 7279 OH2 TIP3 1449 31.075 88.562 40.869 1.00 0.00 WT1 O ATOM 7280 H1 TIP3 1449 31.976 88.248 40.796 1.00 0.00 WT1 H ATOM 7281 H2 TIP3 1449 30.578 88.007 40.269 1.00 0.00 WT1 H ATOM 7282 OH2 TIP3 1450 64.954 24.125 2.713 1.00 0.00 WT1 O ATOM 7283 H1 TIP3 1450 64.032 23.886 2.617 1.00 0.00 WT1 H ATOM 7284 H2 TIP3 1450 65.042 24.942 2.222 1.00 0.00 WT1 H ATOM 7285 OH2 TIP3 1451 55.536 27.585 53.935 1.00 0.00 WT1 O ATOM 7286 H1 TIP3 1451 54.588 27.715 53.894 1.00 0.00 WT1 H ATOM 7287 H2 TIP3 1451 55.874 28.038 53.162 1.00 0.00 WT1 H ATOM 7288 OH2 TIP3 1453 39.512 36.020 65.655 1.00 0.00 WT1 O ATOM 7289 H1 TIP3 1453 38.907 35.303 65.466 1.00 0.00 WT1 H ATOM 7290 H2 TIP3 1453 39.828 36.300 64.796 1.00 0.00 WT1 H ATOM 7291 OH2 TIP3 1454 27.470 94.350 -9.014 1.00 0.00 WT1 O ATOM 7292 H1 TIP3 1454 27.794 95.006 -8.398 1.00 0.00 WT1 H ATOM 7293 H2 TIP3 1454 27.337 94.832 -9.831 1.00 0.00 WT1 H ATOM 7294 OH2 TIP3 1455 75.170 26.566 33.495 1.00 0.00 WT1 O ATOM 7295 H1 TIP3 1455 74.406 27.115 33.320 1.00 0.00 WT1 H ATOM 7296 H2 TIP3 1455 74.984 25.744 33.041 1.00 0.00 WT1 H ATOM 7297 OH2 TIP3 1456 37.388 7.013 11.529 1.00 0.00 WT1 O ATOM 7298 H1 TIP3 1456 37.424 6.784 12.458 1.00 0.00 WT1 H ATOM 7299 H2 TIP3 1456 36.782 7.753 11.487 1.00 0.00 WT1 H ATOM 7300 OH2 TIP3 1457 62.445 24.563 42.577 1.00 0.00 WT1 O ATOM 7301 H1 TIP3 1457 62.825 25.415 42.366 1.00 0.00 WT1 H ATOM 7302 H2 TIP3 1457 63.166 23.943 42.461 1.00 0.00 WT1 H ATOM 7303 OH2 TIP3 1458 67.155 14.525 2.540 1.00 0.00 WT1 O ATOM 7304 H1 TIP3 1458 67.336 15.416 2.838 1.00 0.00 WT1 H ATOM 7305 H2 TIP3 1458 66.899 14.626 1.623 1.00 0.00 WT1 H ATOM 7306 OH2 TIP3 1459 64.855 4.567 47.331 1.00 0.00 WT1 O ATOM 7307 H1 TIP3 1459 64.874 4.462 48.283 1.00 0.00 WT1 H ATOM 7308 H2 TIP3 1459 64.789 3.674 46.993 1.00 0.00 WT1 H ATOM 7309 OH2 TIP3 1461 42.031 93.912 59.239 1.00 0.00 WT1 O ATOM 7310 H1 TIP3 1461 42.244 94.000 58.309 1.00 0.00 WT1 H ATOM 7311 H2 TIP3 1461 42.778 93.444 59.612 1.00 0.00 WT1 H ATOM 7312 OH2 TIP3 1462 47.746 67.833 63.925 1.00 0.00 WT1 O ATOM 7313 H1 TIP3 1462 48.306 68.298 64.547 1.00 0.00 WT1 H ATOM 7314 H2 TIP3 1462 47.126 67.352 64.474 1.00 0.00 WT1 H ATOM 7315 OH2 TIP3 1463 36.143 23.081 62.477 1.00 0.00 WT1 O ATOM 7316 H1 TIP3 1463 35.807 22.645 61.694 1.00 0.00 WT1 H ATOM 7317 H2 TIP3 1463 36.722 22.435 62.882 1.00 0.00 WT1 H ATOM 7318 OH2 TIP3 1464 84.516 64.160 54.500 1.00 0.00 WT1 O ATOM 7319 H1 TIP3 1464 83.646 64.378 54.165 1.00 0.00 WT1 H ATOM 7320 H2 TIP3 1464 84.435 63.259 54.811 1.00 0.00 WT1 H ATOM 7321 OH2 TIP3 1466 35.293 77.966 31.376 1.00 0.00 WT1 O ATOM 7322 H1 TIP3 1466 35.887 78.202 32.088 1.00 0.00 WT1 H ATOM 7323 H2 TIP3 1466 35.806 77.378 30.821 1.00 0.00 WT1 H ATOM 7324 OH2 TIP3 1467 68.866 26.817 53.446 1.00 0.00 WT1 O ATOM 7325 H1 TIP3 1467 68.157 27.362 53.786 1.00 0.00 WT1 H ATOM 7326 H2 TIP3 1467 68.752 26.841 52.496 1.00 0.00 WT1 H ATOM 7327 OH2 TIP3 1468 50.622 13.839 52.096 1.00 0.00 WT1 O ATOM 7328 H1 TIP3 1468 49.754 13.919 52.493 1.00 0.00 WT1 H ATOM 7329 H2 TIP3 1468 50.703 14.612 51.538 1.00 0.00 WT1 H ATOM 7330 OH2 TIP3 1469 39.143 32.635 60.426 1.00 0.00 WT1 O ATOM 7331 H1 TIP3 1469 38.532 33.323 60.164 1.00 0.00 WT1 H ATOM 7332 H2 TIP3 1469 39.702 32.506 59.660 1.00 0.00 WT1 H ATOM 7333 OH2 TIP3 1470 20.363 5.778 61.520 1.00 0.00 WT1 O ATOM 7334 H1 TIP3 1470 21.281 5.662 61.278 1.00 0.00 WT1 H ATOM 7335 H2 TIP3 1470 19.881 5.645 60.704 1.00 0.00 WT1 H ATOM 7336 OH2 TIP3 1471 45.977 11.610 17.936 1.00 0.00 WT1 O ATOM 7337 H1 TIP3 1471 45.202 12.110 17.677 1.00 0.00 WT1 H ATOM 7338 H2 TIP3 1471 46.351 12.107 18.663 1.00 0.00 WT1 H ATOM 7339 OH2 TIP3 1472 41.274 62.551 -16.455 1.00 0.00 WT1 O ATOM 7340 H1 TIP3 1472 40.539 61.963 -16.629 1.00 0.00 WT1 H ATOM 7341 H2 TIP3 1472 41.497 62.392 -15.538 1.00 0.00 WT1 H ATOM 7342 OH2 TIP3 1473 59.518 43.960 31.772 1.00 0.00 WT1 O ATOM 7343 H1 TIP3 1473 60.472 44.033 31.807 1.00 0.00 WT1 H ATOM 7344 H2 TIP3 1473 59.223 44.819 31.468 1.00 0.00 WT1 H ATOM 7345 OH2 TIP3 1474 56.946 3.493 58.706 1.00 0.00 WT1 O ATOM 7346 H1 TIP3 1474 56.255 3.507 58.043 1.00 0.00 WT1 H ATOM 7347 H2 TIP3 1474 56.702 2.776 59.292 1.00 0.00 WT1 H ATOM 7348 OH2 TIP3 1475 39.456 40.806 8.250 1.00 0.00 WT1 O ATOM 7349 H1 TIP3 1475 40.410 40.855 8.181 1.00 0.00 WT1 H ATOM 7350 H2 TIP3 1475 39.136 41.430 7.598 1.00 0.00 WT1 H ATOM 7351 OH2 TIP3 1476 38.504 39.979 18.578 1.00 0.00 WT1 O ATOM 7352 H1 TIP3 1476 39.175 39.378 18.902 1.00 0.00 WT1 H ATOM 7353 H2 TIP3 1476 38.906 40.845 18.642 1.00 0.00 WT1 H ATOM 7354 OH2 TIP3 1477 40.009 51.499 14.723 1.00 0.00 WT1 O ATOM 7355 H1 TIP3 1477 39.922 51.536 15.676 1.00 0.00 WT1 H ATOM 7356 H2 TIP3 1477 40.421 52.330 14.488 1.00 0.00 WT1 H ATOM 7357 OH2 TIP3 1478 28.649 65.831 62.275 1.00 0.00 WT1 O ATOM 7358 H1 TIP3 1478 28.215 66.386 61.627 1.00 0.00 WT1 H ATOM 7359 H2 TIP3 1478 29.549 66.154 62.304 1.00 0.00 WT1 H ATOM 7360 OH2 TIP3 1479 38.309 28.138 44.569 1.00 0.00 WT1 O ATOM 7361 H1 TIP3 1479 38.721 28.119 43.705 1.00 0.00 WT1 H ATOM 7362 H2 TIP3 1479 39.043 28.150 45.184 1.00 0.00 WT1 H ATOM 7363 OH2 TIP3 1480 43.817 19.609 -3.063 1.00 0.00 WT1 O ATOM 7364 H1 TIP3 1480 43.481 18.760 -3.349 1.00 0.00 WT1 H ATOM 7365 H2 TIP3 1480 44.407 19.883 -3.765 1.00 0.00 WT1 H ATOM 7366 OH2 TIP3 1482 69.939 4.322 16.906 1.00 0.00 WT1 O ATOM 7367 H1 TIP3 1482 69.586 5.208 16.977 1.00 0.00 WT1 H ATOM 7368 H2 TIP3 1482 70.633 4.392 16.250 1.00 0.00 WT1 H ATOM 7369 OH2 TIP3 1483 67.540 33.496 17.578 1.00 0.00 WT1 O ATOM 7370 H1 TIP3 1483 66.589 33.403 17.637 1.00 0.00 WT1 H ATOM 7371 H2 TIP3 1483 67.854 32.619 17.358 1.00 0.00 WT1 H ATOM 7372 OH2 TIP3 1484 29.964 15.682 25.233 1.00 0.00 WT1 O ATOM 7373 H1 TIP3 1484 30.305 16.135 24.462 1.00 0.00 WT1 H ATOM 7374 H2 TIP3 1484 30.278 16.200 25.974 1.00 0.00 WT1 H ATOM 7375 OH2 TIP3 1485 87.166 29.948 48.552 1.00 0.00 WT1 O ATOM 7376 H1 TIP3 1485 86.964 29.743 49.465 1.00 0.00 WT1 H ATOM 7377 H2 TIP3 1485 87.986 30.439 48.591 1.00 0.00 WT1 H ATOM 7378 OH2 TIP3 1486 32.736 32.349 14.068 1.00 0.00 WT1 O ATOM 7379 H1 TIP3 1486 33.359 32.153 13.369 1.00 0.00 WT1 H ATOM 7380 H2 TIP3 1486 32.929 33.253 14.315 1.00 0.00 WT1 H ATOM 7381 OH2 TIP3 1487 46.816 12.648 -12.435 1.00 0.00 WT1 O ATOM 7382 H1 TIP3 1487 46.619 12.454 -11.519 1.00 0.00 WT1 H ATOM 7383 H2 TIP3 1487 47.673 13.075 -12.411 1.00 0.00 WT1 H ATOM 7384 OH2 TIP3 1488 78.148 45.164 40.521 1.00 0.00 WT1 O ATOM 7385 H1 TIP3 1488 77.671 44.971 39.714 1.00 0.00 WT1 H ATOM 7386 H2 TIP3 1488 77.485 45.117 41.209 1.00 0.00 WT1 H ATOM 7387 OH2 TIP3 1489 62.739 42.487 52.815 1.00 0.00 WT1 O ATOM 7388 H1 TIP3 1489 62.161 42.067 52.179 1.00 0.00 WT1 H ATOM 7389 H2 TIP3 1489 62.171 42.690 53.558 1.00 0.00 WT1 H ATOM 7390 OH2 TIP3 1490 59.127 54.545 37.219 1.00 0.00 WT1 O ATOM 7391 H1 TIP3 1490 58.817 53.776 36.740 1.00 0.00 WT1 H ATOM 7392 H2 TIP3 1490 58.595 55.267 36.885 1.00 0.00 WT1 H ATOM 7393 OH2 TIP3 1491 27.885 7.437 -19.352 1.00 0.00 WT1 O ATOM 7394 H1 TIP3 1491 27.727 7.223 -18.433 1.00 0.00 WT1 H ATOM 7395 H2 TIP3 1491 28.247 6.635 -19.727 1.00 0.00 WT1 H ATOM 7396 OH2 TIP3 1492 49.539 21.090 5.560 1.00 0.00 WT1 O ATOM 7397 H1 TIP3 1492 49.648 21.955 5.954 1.00 0.00 WT1 H ATOM 7398 H2 TIP3 1492 49.875 20.482 6.219 1.00 0.00 WT1 H ATOM 7399 OH2 TIP3 1493 87.393 31.522 66.247 1.00 0.00 WT1 O ATOM 7400 H1 TIP3 1493 87.217 32.379 66.636 1.00 0.00 WT1 H ATOM 7401 H2 TIP3 1493 86.648 31.364 65.667 1.00 0.00 WT1 H ATOM 7402 OH2 TIP3 1494 66.916 95.577 61.662 1.00 0.00 WT1 O ATOM 7403 H1 TIP3 1494 66.760 94.917 60.987 1.00 0.00 WT1 H ATOM 7404 H2 TIP3 1494 66.697 95.137 62.483 1.00 0.00 WT1 H ATOM 7405 OH2 TIP3 1495 21.823 95.963 2.157 1.00 0.00 WT1 O ATOM 7406 H1 TIP3 1495 21.836 95.489 2.989 1.00 0.00 WT1 H ATOM 7407 H2 TIP3 1495 21.668 95.287 1.498 1.00 0.00 WT1 H ATOM 7408 OH2 TIP3 1496 27.943 47.828 53.190 1.00 0.00 WT1 O ATOM 7409 H1 TIP3 1496 27.570 47.189 52.582 1.00 0.00 WT1 H ATOM 7410 H2 TIP3 1496 28.834 47.969 52.873 1.00 0.00 WT1 H ATOM 7411 OH2 TIP3 1497 35.800 91.588 15.300 1.00 0.00 WT1 O ATOM 7412 H1 TIP3 1497 36.375 91.328 16.019 1.00 0.00 WT1 H ATOM 7413 H2 TIP3 1497 36.183 91.177 14.525 1.00 0.00 WT1 H ATOM 7414 OH2 TIP3 1498 65.530 83.101 -9.458 1.00 0.00 WT1 O ATOM 7415 H1 TIP3 1498 65.623 82.266 -9.000 1.00 0.00 WT1 H ATOM 7416 H2 TIP3 1498 65.542 83.759 -8.762 1.00 0.00 WT1 H ATOM 7417 OH2 TIP3 1499 21.029 94.381 -17.953 1.00 0.00 WT1 O ATOM 7418 H1 TIP3 1499 21.853 94.023 -17.622 1.00 0.00 WT1 H ATOM 7419 H2 TIP3 1499 21.222 95.302 -18.130 1.00 0.00 WT1 H ATOM 7420 OH2 TIP3 1500 29.242 31.849 -3.928 1.00 0.00 WT1 O ATOM 7421 H1 TIP3 1500 29.796 32.629 -3.889 1.00 0.00 WT1 H ATOM 7422 H2 TIP3 1500 28.510 32.103 -4.489 1.00 0.00 WT1 H ATOM 7423 OH2 TIP3 1501 76.247 71.436 39.235 1.00 0.00 WT1 O ATOM 7424 H1 TIP3 1501 76.592 72.219 39.665 1.00 0.00 WT1 H ATOM 7425 H2 TIP3 1501 76.604 71.473 38.348 1.00 0.00 WT1 H ATOM 7426 OH2 TIP3 1502 51.883 38.565 41.684 1.00 0.00 WT1 O ATOM 7427 H1 TIP3 1502 52.417 38.035 41.093 1.00 0.00 WT1 H ATOM 7428 H2 TIP3 1502 51.639 39.331 41.165 1.00 0.00 WT1 H ATOM 7429 OH2 TIP3 1503 23.870 42.705 -0.385 1.00 0.00 WT1 O ATOM 7430 H1 TIP3 1503 23.075 42.290 -0.722 1.00 0.00 WT1 H ATOM 7431 H2 TIP3 1503 23.621 43.033 0.479 1.00 0.00 WT1 H ATOM 7432 OH2 TIP3 1504 34.887 35.972 9.552 1.00 0.00 WT1 O ATOM 7433 H1 TIP3 1504 34.375 36.118 10.348 1.00 0.00 WT1 H ATOM 7434 H2 TIP3 1504 34.330 35.416 9.007 1.00 0.00 WT1 H ATOM 7435 OH2 TIP3 1505 33.219 78.783 22.698 1.00 0.00 WT1 O ATOM 7436 H1 TIP3 1505 33.087 78.567 23.621 1.00 0.00 WT1 H ATOM 7437 H2 TIP3 1505 33.108 77.950 22.239 1.00 0.00 WT1 H ATOM 7438 OH2 TIP3 1508 36.522 11.388 28.990 1.00 0.00 WT1 O ATOM 7439 H1 TIP3 1508 36.939 11.535 28.141 1.00 0.00 WT1 H ATOM 7440 H2 TIP3 1508 35.606 11.629 28.853 1.00 0.00 WT1 H ATOM 7441 OH2 TIP3 1509 21.596 15.083 55.565 1.00 0.00 WT1 O ATOM 7442 H1 TIP3 1509 21.696 15.528 56.407 1.00 0.00 WT1 H ATOM 7443 H2 TIP3 1509 21.260 14.216 55.790 1.00 0.00 WT1 H ATOM 7444 OH2 TIP3 1510 73.033 38.799 59.186 1.00 0.00 WT1 O ATOM 7445 H1 TIP3 1510 72.240 39.139 58.770 1.00 0.00 WT1 H ATOM 7446 H2 TIP3 1510 73.002 37.856 59.027 1.00 0.00 WT1 H ATOM 7447 OH2 TIP3 1511 65.035 33.197 18.227 1.00 0.00 WT1 O ATOM 7448 H1 TIP3 1511 64.540 32.384 18.125 1.00 0.00 WT1 H ATOM 7449 H2 TIP3 1511 64.443 33.781 18.701 1.00 0.00 WT1 H ATOM 7450 OH2 TIP3 1512 83.497 29.215 65.929 1.00 0.00 WT1 O ATOM 7451 H1 TIP3 1512 84.316 28.726 65.849 1.00 0.00 WT1 H ATOM 7452 H2 TIP3 1512 83.462 29.755 65.140 1.00 0.00 WT1 H ATOM 7453 OH2 TIP3 1514 73.819 26.168 11.389 1.00 0.00 WT1 O ATOM 7454 H1 TIP3 1514 73.940 25.754 12.243 1.00 0.00 WT1 H ATOM 7455 H2 TIP3 1514 73.087 25.696 10.994 1.00 0.00 WT1 H ATOM 7456 OH2 TIP3 1515 73.605 25.677 54.726 1.00 0.00 WT1 O ATOM 7457 H1 TIP3 1515 73.876 24.861 54.305 1.00 0.00 WT1 H ATOM 7458 H2 TIP3 1515 73.652 26.333 54.030 1.00 0.00 WT1 H ATOM 7459 OH2 TIP3 1516 54.848 45.937 -1.084 1.00 0.00 WT1 O ATOM 7460 H1 TIP3 1516 55.232 46.756 -0.769 1.00 0.00 WT1 H ATOM 7461 H2 TIP3 1516 54.959 45.325 -0.356 1.00 0.00 WT1 H ATOM 7462 OH2 TIP3 1517 45.970 46.810 -1.139 1.00 0.00 WT1 O ATOM 7463 H1 TIP3 1517 45.567 47.677 -1.104 1.00 0.00 WT1 H ATOM 7464 H2 TIP3 1517 46.560 46.789 -0.386 1.00 0.00 WT1 H ATOM 7465 OH2 TIP3 1518 81.912 55.745 50.105 1.00 0.00 WT1 O ATOM 7466 H1 TIP3 1518 82.702 55.908 49.589 1.00 0.00 WT1 H ATOM 7467 H2 TIP3 1518 82.228 55.316 50.900 1.00 0.00 WT1 H ATOM 7468 OH2 TIP3 1519 45.673 12.505 60.096 1.00 0.00 WT1 O ATOM 7469 H1 TIP3 1519 44.750 12.600 59.862 1.00 0.00 WT1 H ATOM 7470 H2 TIP3 1519 45.980 11.766 59.571 1.00 0.00 WT1 H ATOM 7471 OH2 TIP3 1520 84.662 14.355 5.625 1.00 0.00 WT1 O ATOM 7472 H1 TIP3 1520 84.237 15.208 5.536 1.00 0.00 WT1 H ATOM 7473 H2 TIP3 1520 85.592 14.534 5.489 1.00 0.00 WT1 H ATOM 7474 OH2 TIP3 1521 56.896 64.228 44.131 1.00 0.00 WT1 O ATOM 7475 H1 TIP3 1521 56.462 65.078 44.053 1.00 0.00 WT1 H ATOM 7476 H2 TIP3 1521 56.309 63.617 43.686 1.00 0.00 WT1 H ATOM 7477 OH2 TIP3 1522 62.227 70.034 28.090 1.00 0.00 WT1 O ATOM 7478 H1 TIP3 1522 62.090 69.133 27.797 1.00 0.00 WT1 H ATOM 7479 H2 TIP3 1522 62.183 70.557 27.290 1.00 0.00 WT1 H ATOM 7480 OH2 TIP3 1523 25.761 43.974 64.751 1.00 0.00 WT1 O ATOM 7481 H1 TIP3 1523 25.886 44.481 63.948 1.00 0.00 WT1 H ATOM 7482 H2 TIP3 1523 24.817 43.997 64.904 1.00 0.00 WT1 H ATOM 7483 OH2 TIP3 1524 70.284 41.365 23.217 1.00 0.00 WT1 O ATOM 7484 H1 TIP3 1524 69.629 41.012 23.820 1.00 0.00 WT1 H ATOM 7485 H2 TIP3 1524 70.248 42.312 23.351 1.00 0.00 WT1 H ATOM 7486 OH2 TIP3 1525 35.530 6.769 -2.594 1.00 0.00 WT1 O ATOM 7487 H1 TIP3 1525 36.073 6.287 -1.971 1.00 0.00 WT1 H ATOM 7488 H2 TIP3 1525 35.173 7.499 -2.087 1.00 0.00 WT1 H ATOM 7489 OH2 TIP3 1527 75.555 36.646 15.892 1.00 0.00 WT1 O ATOM 7490 H1 TIP3 1527 76.278 36.766 15.276 1.00 0.00 WT1 H ATOM 7491 H2 TIP3 1527 75.690 35.770 16.254 1.00 0.00 WT1 H ATOM 7492 OH2 TIP3 1530 38.128 64.991 42.849 1.00 0.00 WT1 O ATOM 7493 H1 TIP3 1530 38.078 65.412 41.991 1.00 0.00 WT1 H ATOM 7494 H2 TIP3 1530 38.536 65.647 43.415 1.00 0.00 WT1 H ATOM 7495 OH2 TIP3 1531 76.819 37.362 60.716 1.00 0.00 WT1 O ATOM 7496 H1 TIP3 1531 77.659 37.392 60.258 1.00 0.00 WT1 H ATOM 7497 H2 TIP3 1531 76.835 36.532 61.192 1.00 0.00 WT1 H ATOM 7498 OH2 TIP3 1532 34.814 79.880 -12.548 1.00 0.00 WT1 O ATOM 7499 H1 TIP3 1532 34.848 80.416 -11.756 1.00 0.00 WT1 H ATOM 7500 H2 TIP3 1532 34.835 80.512 -13.267 1.00 0.00 WT1 H ATOM 7501 OH2 TIP3 1533 65.990 38.765 66.007 1.00 0.00 WT1 O ATOM 7502 H1 TIP3 1533 65.647 38.996 66.870 1.00 0.00 WT1 H ATOM 7503 H2 TIP3 1533 66.833 39.214 65.955 1.00 0.00 WT1 H ATOM 7504 OH2 TIP3 1534 39.813 27.236 -2.504 1.00 0.00 WT1 O ATOM 7505 H1 TIP3 1534 39.500 27.788 -1.788 1.00 0.00 WT1 H ATOM 7506 H2 TIP3 1534 40.408 26.614 -2.086 1.00 0.00 WT1 H ATOM 7507 OH2 TIP3 1536 76.228 77.859 17.479 1.00 0.00 WT1 O ATOM 7508 H1 TIP3 1536 75.672 77.737 18.249 1.00 0.00 WT1 H ATOM 7509 H2 TIP3 1536 76.579 76.987 17.297 1.00 0.00 WT1 H ATOM 7510 OH2 TIP3 1537 71.784 47.861 19.439 1.00 0.00 WT1 O ATOM 7511 H1 TIP3 1537 71.431 46.977 19.535 1.00 0.00 WT1 H ATOM 7512 H2 TIP3 1537 71.012 48.420 19.347 1.00 0.00 WT1 H ATOM 7513 OH2 TIP3 1538 41.377 79.508 10.541 1.00 0.00 WT1 O ATOM 7514 H1 TIP3 1538 42.054 79.538 11.217 1.00 0.00 WT1 H ATOM 7515 H2 TIP3 1538 41.023 78.621 10.595 1.00 0.00 WT1 H ATOM 7516 OH2 TIP3 1539 83.590 69.921 -0.895 1.00 0.00 WT1 O ATOM 7517 H1 TIP3 1539 83.276 69.143 -1.355 1.00 0.00 WT1 H ATOM 7518 H2 TIP3 1539 83.235 69.836 -0.011 1.00 0.00 WT1 H ATOM 7519 OH2 TIP3 1540 29.006 9.800 50.303 1.00 0.00 WT1 O ATOM 7520 H1 TIP3 1540 29.054 9.444 51.190 1.00 0.00 WT1 H ATOM 7521 H2 TIP3 1540 29.454 9.152 49.760 1.00 0.00 WT1 H ATOM 7522 OH2 TIP3 1541 76.862 47.542 49.393 1.00 0.00 WT1 O ATOM 7523 H1 TIP3 1541 77.468 48.233 49.126 1.00 0.00 WT1 H ATOM 7524 H2 TIP3 1541 76.102 48.010 49.738 1.00 0.00 WT1 H ATOM 7525 OH2 TIP3 1542 87.141 27.696 18.564 1.00 0.00 WT1 O ATOM 7526 H1 TIP3 1542 86.567 27.336 17.888 1.00 0.00 WT1 H ATOM 7527 H2 TIP3 1542 86.579 28.286 19.067 1.00 0.00 WT1 H ATOM 7528 OH2 TIP3 1543 64.209 18.841 5.514 1.00 0.00 WT1 O ATOM 7529 H1 TIP3 1543 63.989 19.390 4.762 1.00 0.00 WT1 H ATOM 7530 H2 TIP3 1543 63.469 18.944 6.111 1.00 0.00 WT1 H ATOM 7531 OH2 TIP3 1544 39.049 61.885 -19.369 1.00 0.00 WT1 O ATOM 7532 H1 TIP3 1544 38.336 62.413 -19.729 1.00 0.00 WT1 H ATOM 7533 H2 TIP3 1544 38.683 61.496 -18.575 1.00 0.00 WT1 H ATOM 7534 OH2 TIP3 1545 42.597 72.738 64.189 1.00 0.00 WT1 O ATOM 7535 H1 TIP3 1545 43.533 72.893 64.068 1.00 0.00 WT1 H ATOM 7536 H2 TIP3 1545 42.173 73.464 63.731 1.00 0.00 WT1 H ATOM 7537 OH2 TIP3 1546 58.790 19.347 41.217 1.00 0.00 WT1 O ATOM 7538 H1 TIP3 1546 59.244 18.911 40.496 1.00 0.00 WT1 H ATOM 7539 H2 TIP3 1546 59.299 20.143 41.375 1.00 0.00 WT1 H ATOM 7540 OH2 TIP3 1548 40.261 79.685 -13.077 1.00 0.00 WT1 O ATOM 7541 H1 TIP3 1548 39.637 79.264 -12.486 1.00 0.00 WT1 H ATOM 7542 H2 TIP3 1548 41.120 79.406 -12.758 1.00 0.00 WT1 H ATOM 7543 OH2 TIP3 1549 81.946 48.403 50.603 1.00 0.00 WT1 O ATOM 7544 H1 TIP3 1549 82.415 49.051 51.128 1.00 0.00 WT1 H ATOM 7545 H2 TIP3 1549 81.452 48.922 49.968 1.00 0.00 WT1 H ATOM 7546 OH2 TIP3 1550 39.275 74.103 28.771 1.00 0.00 WT1 O ATOM 7547 H1 TIP3 1550 39.702 73.249 28.839 1.00 0.00 WT1 H ATOM 7548 H2 TIP3 1550 39.638 74.490 27.974 1.00 0.00 WT1 H ATOM 7549 OH2 TIP3 1551 20.910 10.917 48.456 1.00 0.00 WT1 O ATOM 7550 H1 TIP3 1551 20.718 10.264 47.782 1.00 0.00 WT1 H ATOM 7551 H2 TIP3 1551 21.812 11.185 48.280 1.00 0.00 WT1 H ATOM 7552 OH2 TIP3 1552 65.107 92.006 14.785 1.00 0.00 WT1 O ATOM 7553 H1 TIP3 1552 64.365 91.577 15.211 1.00 0.00 WT1 H ATOM 7554 H2 TIP3 1552 65.673 91.286 14.506 1.00 0.00 WT1 H ATOM 7555 OH2 TIP3 1553 38.412 45.175 35.503 1.00 0.00 WT1 O ATOM 7556 H1 TIP3 1553 39.289 44.795 35.470 1.00 0.00 WT1 H ATOM 7557 H2 TIP3 1553 38.199 45.367 34.589 1.00 0.00 WT1 H ATOM 7558 OH2 TIP3 1554 53.184 64.419 -14.776 1.00 0.00 WT1 O ATOM 7559 H1 TIP3 1554 52.760 65.245 -14.544 1.00 0.00 WT1 H ATOM 7560 H2 TIP3 1554 53.327 63.979 -13.938 1.00 0.00 WT1 H ATOM 7561 OH2 TIP3 1555 34.022 30.829 -10.055 1.00 0.00 WT1 O ATOM 7562 H1 TIP3 1555 34.789 31.371 -9.871 1.00 0.00 WT1 H ATOM 7563 H2 TIP3 1555 34.383 29.976 -10.296 1.00 0.00 WT1 H ATOM 7564 OH2 TIP3 1556 37.331 55.936 6.720 1.00 0.00 WT1 O ATOM 7565 H1 TIP3 1556 37.662 56.806 6.942 1.00 0.00 WT1 H ATOM 7566 H2 TIP3 1556 37.619 55.379 7.443 1.00 0.00 WT1 H ATOM 7567 OH2 TIP3 1557 48.784 25.601 -6.474 1.00 0.00 WT1 O ATOM 7568 H1 TIP3 1557 49.641 26.025 -6.503 1.00 0.00 WT1 H ATOM 7569 H2 TIP3 1557 48.261 26.155 -5.896 1.00 0.00 WT1 H ATOM 7570 OH2 TIP3 1558 24.504 33.784 27.169 1.00 0.00 WT1 O ATOM 7571 H1 TIP3 1558 24.872 34.664 27.254 1.00 0.00 WT1 H ATOM 7572 H2 TIP3 1558 25.043 33.242 27.745 1.00 0.00 WT1 H ATOM 7573 OH2 TIP3 1559 52.920 73.208 25.200 1.00 0.00 WT1 O ATOM 7574 H1 TIP3 1559 53.680 73.752 24.995 1.00 0.00 WT1 H ATOM 7575 H2 TIP3 1559 52.554 72.975 24.347 1.00 0.00 WT1 H ATOM 7576 OH2 TIP3 1560 67.222 50.626 -15.100 1.00 0.00 WT1 O ATOM 7577 H1 TIP3 1560 66.946 51.501 -14.826 1.00 0.00 WT1 H ATOM 7578 H2 TIP3 1560 67.139 50.090 -14.312 1.00 0.00 WT1 H ATOM 7579 OH2 TIP3 1561 35.140 10.449 40.275 1.00 0.00 WT1 O ATOM 7580 H1 TIP3 1561 35.812 10.897 40.789 1.00 0.00 WT1 H ATOM 7581 H2 TIP3 1561 34.899 11.078 39.595 1.00 0.00 WT1 H ATOM 7582 OH2 TIP3 1562 28.302 77.835 -0.720 1.00 0.00 WT1 O ATOM 7583 H1 TIP3 1562 28.997 77.686 -1.360 1.00 0.00 WT1 H ATOM 7584 H2 TIP3 1562 28.541 77.286 0.027 1.00 0.00 WT1 H ATOM 7585 OH2 TIP3 1563 45.260 42.037 37.404 1.00 0.00 WT1 O ATOM 7586 H1 TIP3 1563 45.493 42.923 37.683 1.00 0.00 WT1 H ATOM 7587 H2 TIP3 1563 46.036 41.719 36.942 1.00 0.00 WT1 H ATOM 7588 OH2 TIP3 1564 36.569 0.468 -15.793 1.00 0.00 WT1 O ATOM 7589 H1 TIP3 1564 37.321 -0.108 -15.936 1.00 0.00 WT1 H ATOM 7590 H2 TIP3 1564 36.451 0.477 -14.844 1.00 0.00 WT1 H ATOM 7591 OH2 TIP3 1565 90.078 7.096 -4.994 1.00 0.00 WT1 O ATOM 7592 H1 TIP3 1565 89.686 7.197 -5.862 1.00 0.00 WT1 H ATOM 7593 H2 TIP3 1565 89.712 7.815 -4.480 1.00 0.00 WT1 H ATOM 7594 OH2 TIP3 1566 84.990 20.212 62.870 1.00 0.00 WT1 O ATOM 7595 H1 TIP3 1566 85.447 20.203 62.028 1.00 0.00 WT1 H ATOM 7596 H2 TIP3 1566 85.353 19.465 63.347 1.00 0.00 WT1 H ATOM 7597 OH2 TIP3 1567 43.910 50.396 25.415 1.00 0.00 WT1 O ATOM 7598 H1 TIP3 1567 44.586 49.955 24.901 1.00 0.00 WT1 H ATOM 7599 H2 TIP3 1567 43.401 49.683 25.803 1.00 0.00 WT1 H ATOM 7600 OH2 TIP3 1569 57.430 54.249 19.940 1.00 0.00 WT1 O ATOM 7601 H1 TIP3 1569 57.379 53.313 20.135 1.00 0.00 WT1 H ATOM 7602 H2 TIP3 1569 56.792 54.652 20.528 1.00 0.00 WT1 H ATOM 7603 OH2 TIP3 1570 85.020 24.587 31.266 1.00 0.00 WT1 O ATOM 7604 H1 TIP3 1570 85.823 24.480 30.757 1.00 0.00 WT1 H ATOM 7605 H2 TIP3 1570 85.311 24.964 32.097 1.00 0.00 WT1 H ATOM 7606 OH2 TIP3 1571 36.310 78.266 45.749 1.00 0.00 WT1 O ATOM 7607 H1 TIP3 1571 35.603 78.408 46.377 1.00 0.00 WT1 H ATOM 7608 H2 TIP3 1571 36.075 77.452 45.302 1.00 0.00 WT1 H ATOM 7609 OH2 TIP3 1572 34.995 9.316 59.960 1.00 0.00 WT1 O ATOM 7610 H1 TIP3 1572 35.135 8.791 60.748 1.00 0.00 WT1 H ATOM 7611 H2 TIP3 1572 35.741 9.110 59.398 1.00 0.00 WT1 H ATOM 7612 OH2 TIP3 1574 71.021 43.083 26.095 1.00 0.00 WT1 O ATOM 7613 H1 TIP3 1574 71.901 43.313 25.797 1.00 0.00 WT1 H ATOM 7614 H2 TIP3 1574 70.466 43.209 25.325 1.00 0.00 WT1 H ATOM 7615 OH2 TIP3 1575 68.252 1.514 35.657 1.00 0.00 WT1 O ATOM 7616 H1 TIP3 1575 68.683 1.909 34.900 1.00 0.00 WT1 H ATOM 7617 H2 TIP3 1575 68.951 1.050 36.118 1.00 0.00 WT1 H ATOM 7618 OH2 TIP3 1576 27.695 41.927 59.020 1.00 0.00 WT1 O ATOM 7619 H1 TIP3 1576 28.054 41.321 59.668 1.00 0.00 WT1 H ATOM 7620 H2 TIP3 1576 27.175 41.373 58.437 1.00 0.00 WT1 H ATOM 7621 OH2 TIP3 1577 24.981 35.067 -6.874 1.00 0.00 WT1 O ATOM 7622 H1 TIP3 1577 24.236 34.985 -6.279 1.00 0.00 WT1 H ATOM 7623 H2 TIP3 1577 24.920 34.301 -7.444 1.00 0.00 WT1 H ATOM 7624 OH2 TIP3 1578 47.777 41.341 38.897 1.00 0.00 WT1 O ATOM 7625 H1 TIP3 1578 46.881 41.170 39.185 1.00 0.00 WT1 H ATOM 7626 H2 TIP3 1578 48.325 41.027 39.616 1.00 0.00 WT1 H ATOM 7627 OH2 TIP3 1579 49.805 43.521 -4.827 1.00 0.00 WT1 O ATOM 7628 H1 TIP3 1579 50.470 44.188 -4.998 1.00 0.00 WT1 H ATOM 7629 H2 TIP3 1579 49.082 43.748 -5.411 1.00 0.00 WT1 H ATOM 7630 OH2 TIP3 1580 26.726 69.026 -14.121 1.00 0.00 WT1 O ATOM 7631 H1 TIP3 1580 27.250 68.313 -13.755 1.00 0.00 WT1 H ATOM 7632 H2 TIP3 1580 26.628 69.647 -13.399 1.00 0.00 WT1 H ATOM 7633 OH2 TIP3 1581 74.575 34.873 -10.359 1.00 0.00 WT1 O ATOM 7634 H1 TIP3 1581 74.802 34.526 -9.496 1.00 0.00 WT1 H ATOM 7635 H2 TIP3 1581 75.418 35.057 -10.773 1.00 0.00 WT1 H ATOM 7636 OH2 TIP3 1582 44.260 7.589 35.983 1.00 0.00 WT1 O ATOM 7637 H1 TIP3 1582 44.425 7.580 36.926 1.00 0.00 WT1 H ATOM 7638 H2 TIP3 1582 44.960 8.131 35.621 1.00 0.00 WT1 H ATOM 7639 OH2 TIP3 1583 24.127 23.393 0.752 1.00 0.00 WT1 O ATOM 7640 H1 TIP3 1583 24.008 24.043 1.444 1.00 0.00 WT1 H ATOM 7641 H2 TIP3 1583 24.635 23.847 0.080 1.00 0.00 WT1 H ATOM 7642 OH2 TIP3 1584 39.649 16.104 25.193 1.00 0.00 WT1 O ATOM 7643 H1 TIP3 1584 39.546 15.351 25.775 1.00 0.00 WT1 H ATOM 7644 H2 TIP3 1584 38.790 16.526 25.193 1.00 0.00 WT1 H ATOM 7645 OH2 TIP3 1585 40.961 74.332 -9.182 1.00 0.00 WT1 O ATOM 7646 H1 TIP3 1585 40.590 75.213 -9.232 1.00 0.00 WT1 H ATOM 7647 H2 TIP3 1585 41.672 74.407 -8.546 1.00 0.00 WT1 H ATOM 7648 OH2 TIP3 1586 38.412 38.689 32.595 1.00 0.00 WT1 O ATOM 7649 H1 TIP3 1586 37.488 38.876 32.758 1.00 0.00 WT1 H ATOM 7650 H2 TIP3 1586 38.872 39.476 32.886 1.00 0.00 WT1 H ATOM 7651 OH2 TIP3 1587 64.850 24.961 63.354 1.00 0.00 WT1 O ATOM 7652 H1 TIP3 1587 64.570 25.876 63.356 1.00 0.00 WT1 H ATOM 7653 H2 TIP3 1587 64.814 24.701 62.434 1.00 0.00 WT1 H ATOM 7654 OH2 TIP3 1588 57.953 46.109 17.366 1.00 0.00 WT1 O ATOM 7655 H1 TIP3 1588 57.538 46.112 18.229 1.00 0.00 WT1 H ATOM 7656 H2 TIP3 1588 57.997 47.033 17.118 1.00 0.00 WT1 H ATOM 7657 OH2 TIP3 1589 84.176 22.527 -11.028 1.00 0.00 WT1 O ATOM 7658 H1 TIP3 1589 83.243 22.545 -11.242 1.00 0.00 WT1 H ATOM 7659 H2 TIP3 1589 84.224 22.042 -10.203 1.00 0.00 WT1 H ATOM 7660 OH2 TIP3 1590 31.331 50.664 43.929 1.00 0.00 WT1 O ATOM 7661 H1 TIP3 1590 32.239 50.817 44.190 1.00 0.00 WT1 H ATOM 7662 H2 TIP3 1590 31.246 51.104 43.084 1.00 0.00 WT1 H ATOM 7663 OH2 TIP3 1591 40.477 17.804 10.702 1.00 0.00 WT1 O ATOM 7664 H1 TIP3 1591 41.300 17.486 10.331 1.00 0.00 WT1 H ATOM 7665 H2 TIP3 1591 39.863 17.080 10.577 1.00 0.00 WT1 H ATOM 7666 OH2 TIP3 1592 82.532 60.057 10.022 1.00 0.00 WT1 O ATOM 7667 H1 TIP3 1592 82.877 59.167 10.085 1.00 0.00 WT1 H ATOM 7668 H2 TIP3 1592 82.591 60.401 10.913 1.00 0.00 WT1 H ATOM 7669 OH2 TIP3 1594 32.537 31.048 62.754 1.00 0.00 WT1 O ATOM 7670 H1 TIP3 1594 32.041 31.648 63.310 1.00 0.00 WT1 H ATOM 7671 H2 TIP3 1594 32.129 30.194 62.898 1.00 0.00 WT1 H ATOM 7672 OH2 TIP3 1596 69.468 1.898 50.492 1.00 0.00 WT1 O ATOM 7673 H1 TIP3 1596 69.381 2.844 50.368 1.00 0.00 WT1 H ATOM 7674 H2 TIP3 1596 68.656 1.534 50.139 1.00 0.00 WT1 H ATOM 7675 OH2 TIP3 1597 83.869 33.194 -8.347 1.00 0.00 WT1 O ATOM 7676 H1 TIP3 1597 83.570 33.550 -7.511 1.00 0.00 WT1 H ATOM 7677 H2 TIP3 1597 83.718 32.251 -8.274 1.00 0.00 WT1 H ATOM 7678 OH2 TIP3 1598 34.613 57.212 42.420 1.00 0.00 WT1 O ATOM 7679 H1 TIP3 1598 34.820 56.277 42.439 1.00 0.00 WT1 H ATOM 7680 H2 TIP3 1598 35.462 57.643 42.318 1.00 0.00 WT1 H ATOM 7681 OH2 TIP3 1599 40.131 45.365 -3.993 1.00 0.00 WT1 O ATOM 7682 H1 TIP3 1599 39.702 46.089 -4.449 1.00 0.00 WT1 H ATOM 7683 H2 TIP3 1599 40.933 45.208 -4.492 1.00 0.00 WT1 H ATOM 7684 OH2 TIP3 1600 55.999 62.477 46.684 1.00 0.00 WT1 O ATOM 7685 H1 TIP3 1600 56.931 62.264 46.728 1.00 0.00 WT1 H ATOM 7686 H2 TIP3 1600 55.602 61.728 46.237 1.00 0.00 WT1 H ATOM 7687 OH2 TIP3 1601 78.471 61.762 -5.780 1.00 0.00 WT1 O ATOM 7688 H1 TIP3 1601 79.312 61.314 -5.697 1.00 0.00 WT1 H ATOM 7689 H2 TIP3 1601 78.630 62.638 -5.426 1.00 0.00 WT1 H ATOM 7690 OH2 TIP3 1602 38.275 61.128 3.798 1.00 0.00 WT1 O ATOM 7691 H1 TIP3 1602 38.938 60.502 3.508 1.00 0.00 WT1 H ATOM 7692 H2 TIP3 1602 37.951 60.769 4.624 1.00 0.00 WT1 H ATOM 7693 OH2 TIP3 1603 32.143 68.131 63.553 1.00 0.00 WT1 O ATOM 7694 H1 TIP3 1603 32.400 67.957 64.459 1.00 0.00 WT1 H ATOM 7695 H2 TIP3 1603 32.098 67.265 63.147 1.00 0.00 WT1 H ATOM 7696 OH2 TIP3 1604 82.710 47.731 17.121 1.00 0.00 WT1 O ATOM 7697 H1 TIP3 1604 81.910 47.227 16.973 1.00 0.00 WT1 H ATOM 7698 H2 TIP3 1604 83.368 47.302 16.574 1.00 0.00 WT1 H ATOM 7699 OH2 TIP3 1605 67.234 54.514 38.764 1.00 0.00 WT1 O ATOM 7700 H1 TIP3 1605 67.144 53.901 38.034 1.00 0.00 WT1 H ATOM 7701 H2 TIP3 1605 66.760 54.100 39.485 1.00 0.00 WT1 H ATOM 7702 OH2 TIP3 1606 69.040 39.763 45.640 1.00 0.00 WT1 O ATOM 7703 H1 TIP3 1606 69.338 40.416 45.007 1.00 0.00 WT1 H ATOM 7704 H2 TIP3 1606 69.017 40.232 46.474 1.00 0.00 WT1 H ATOM 7705 OH2 TIP3 1607 88.624 34.413 -17.891 1.00 0.00 WT1 O ATOM 7706 H1 TIP3 1607 89.043 34.962 -17.228 1.00 0.00 WT1 H ATOM 7707 H2 TIP3 1607 89.233 34.420 -18.629 1.00 0.00 WT1 H ATOM 7708 OH2 TIP3 1608 57.226 85.938 55.490 1.00 0.00 WT1 O ATOM 7709 H1 TIP3 1608 57.513 86.829 55.289 1.00 0.00 WT1 H ATOM 7710 H2 TIP3 1608 56.438 85.815 54.959 1.00 0.00 WT1 H ATOM 7711 OH2 TIP3 1609 33.744 56.064 7.166 1.00 0.00 WT1 O ATOM 7712 H1 TIP3 1609 33.601 55.374 6.518 1.00 0.00 WT1 H ATOM 7713 H2 TIP3 1609 34.694 56.179 7.187 1.00 0.00 WT1 H ATOM 7714 OH2 TIP3 1611 84.919 44.672 0.632 1.00 0.00 WT1 O ATOM 7715 H1 TIP3 1611 84.568 45.333 0.036 1.00 0.00 WT1 H ATOM 7716 H2 TIP3 1611 84.146 44.296 1.055 1.00 0.00 WT1 H ATOM 7717 OH2 TIP3 1612 77.284 77.349 13.974 1.00 0.00 WT1 O ATOM 7718 H1 TIP3 1612 76.872 76.506 13.781 1.00 0.00 WT1 H ATOM 7719 H2 TIP3 1612 78.223 77.161 13.982 1.00 0.00 WT1 H ATOM 7720 OH2 TIP3 1613 76.970 32.643 35.862 1.00 0.00 WT1 O ATOM 7721 H1 TIP3 1613 76.481 33.379 36.230 1.00 0.00 WT1 H ATOM 7722 H2 TIP3 1613 77.367 32.215 36.621 1.00 0.00 WT1 H ATOM 7723 OH2 TIP3 1614 23.861 43.067 61.773 1.00 0.00 WT1 O ATOM 7724 H1 TIP3 1614 22.959 43.387 61.801 1.00 0.00 WT1 H ATOM 7725 H2 TIP3 1614 24.259 43.535 61.039 1.00 0.00 WT1 H ATOM 7726 OH2 TIP3 1615 46.667 47.086 36.230 1.00 0.00 WT1 O ATOM 7727 H1 TIP3 1615 47.392 46.462 36.187 1.00 0.00 WT1 H ATOM 7728 H2 TIP3 1615 46.869 47.636 36.986 1.00 0.00 WT1 H ATOM 7729 OH2 TIP3 1616 47.021 90.025 53.137 1.00 0.00 WT1 O ATOM 7730 H1 TIP3 1616 46.460 89.362 53.538 1.00 0.00 WT1 H ATOM 7731 H2 TIP3 1616 47.837 89.982 53.636 1.00 0.00 WT1 H ATOM 7732 OH2 TIP3 1617 63.533 58.686 1.613 1.00 0.00 WT1 O ATOM 7733 H1 TIP3 1617 63.151 59.456 2.034 1.00 0.00 WT1 H ATOM 7734 H2 TIP3 1617 64.409 58.967 1.349 1.00 0.00 WT1 H ATOM 7735 OH2 TIP3 1618 47.702 46.017 47.671 1.00 0.00 WT1 O ATOM 7736 H1 TIP3 1618 47.193 46.620 48.213 1.00 0.00 WT1 H ATOM 7737 H2 TIP3 1618 48.547 46.452 47.558 1.00 0.00 WT1 H ATOM 7738 OH2 TIP3 1619 20.888 93.486 0.708 1.00 0.00 WT1 O ATOM 7739 H1 TIP3 1619 19.983 93.233 0.892 1.00 0.00 WT1 H ATOM 7740 H2 TIP3 1619 21.416 92.899 1.249 1.00 0.00 WT1 H ATOM 7741 OH2 TIP3 1620 50.915 95.649 -14.873 1.00 0.00 WT1 O ATOM 7742 H1 TIP3 1620 50.094 96.141 -14.890 1.00 0.00 WT1 H ATOM 7743 H2 TIP3 1620 50.919 95.161 -15.696 1.00 0.00 WT1 H ATOM 7744 OH2 TIP3 1621 81.555 22.281 44.724 1.00 0.00 WT1 O ATOM 7745 H1 TIP3 1621 81.526 22.762 43.896 1.00 0.00 WT1 H ATOM 7746 H2 TIP3 1621 81.953 22.893 45.343 1.00 0.00 WT1 H ATOM 7747 OH2 TIP3 1622 66.889 35.530 64.729 1.00 0.00 WT1 O ATOM 7748 H1 TIP3 1622 65.966 35.775 64.803 1.00 0.00 WT1 H ATOM 7749 H2 TIP3 1622 67.069 35.030 65.525 1.00 0.00 WT1 H ATOM 7750 OH2 TIP3 1623 90.449 60.794 64.530 1.00 0.00 WT1 O ATOM 7751 H1 TIP3 1623 89.669 61.249 64.212 1.00 0.00 WT1 H ATOM 7752 H2 TIP3 1623 90.711 61.282 65.310 1.00 0.00 WT1 H ATOM 7753 OH2 TIP3 1624 30.440 13.691 3.903 1.00 0.00 WT1 O ATOM 7754 H1 TIP3 1624 30.681 14.322 4.581 1.00 0.00 WT1 H ATOM 7755 H2 TIP3 1624 29.596 14.000 3.576 1.00 0.00 WT1 H ATOM 7756 OH2 TIP3 1625 65.062 83.372 65.113 1.00 0.00 WT1 O ATOM 7757 H1 TIP3 1625 64.204 83.059 65.398 1.00 0.00 WT1 H ATOM 7758 H2 TIP3 1625 65.378 82.695 64.514 1.00 0.00 WT1 H ATOM 7759 OH2 TIP3 1626 54.522 11.125 25.800 1.00 0.00 WT1 O ATOM 7760 H1 TIP3 1626 55.203 10.961 26.452 1.00 0.00 WT1 H ATOM 7761 H2 TIP3 1626 53.773 10.609 26.101 1.00 0.00 WT1 H ATOM 7762 OH2 TIP3 1627 33.899 0.345 -16.678 1.00 0.00 WT1 O ATOM 7763 H1 TIP3 1627 33.878 -0.394 -17.286 1.00 0.00 WT1 H ATOM 7764 H2 TIP3 1627 34.814 0.404 -16.403 1.00 0.00 WT1 H ATOM 7765 OH2 TIP3 1628 84.398 52.337 -9.394 1.00 0.00 WT1 O ATOM 7766 H1 TIP3 1628 84.022 53.092 -9.848 1.00 0.00 WT1 H ATOM 7767 H2 TIP3 1628 85.117 52.053 -9.958 1.00 0.00 WT1 H ATOM 7768 OH2 TIP3 1629 80.756 83.682 54.172 1.00 0.00 WT1 O ATOM 7769 H1 TIP3 1629 81.124 82.913 53.737 1.00 0.00 WT1 H ATOM 7770 H2 TIP3 1629 79.855 83.433 54.379 1.00 0.00 WT1 H ATOM 7771 OH2 TIP3 1630 73.901 69.511 48.526 1.00 0.00 WT1 O ATOM 7772 H1 TIP3 1630 73.419 69.315 49.330 1.00 0.00 WT1 H ATOM 7773 H2 TIP3 1630 74.199 70.413 48.640 1.00 0.00 WT1 H ATOM 7774 OH2 TIP3 1632 27.123 60.200 8.009 1.00 0.00 WT1 O ATOM 7775 H1 TIP3 1632 27.493 59.321 8.092 1.00 0.00 WT1 H ATOM 7776 H2 TIP3 1632 27.882 60.782 8.015 1.00 0.00 WT1 H ATOM 7777 OH2 TIP3 1633 74.400 91.573 46.648 1.00 0.00 WT1 O ATOM 7778 H1 TIP3 1633 73.845 90.823 46.860 1.00 0.00 WT1 H ATOM 7779 H2 TIP3 1633 75.243 91.188 46.408 1.00 0.00 WT1 H ATOM 7780 OH2 TIP3 1634 55.737 27.338 36.092 1.00 0.00 WT1 O ATOM 7781 H1 TIP3 1634 55.861 28.279 35.963 1.00 0.00 WT1 H ATOM 7782 H2 TIP3 1634 55.338 27.265 36.959 1.00 0.00 WT1 H ATOM 7783 OH2 TIP3 1635 39.119 42.598 19.623 1.00 0.00 WT1 O ATOM 7784 H1 TIP3 1635 39.804 43.261 19.535 1.00 0.00 WT1 H ATOM 7785 H2 TIP3 1635 39.276 42.204 20.481 1.00 0.00 WT1 H ATOM 7786 OH2 TIP3 1636 45.984 97.045 -0.002 1.00 0.00 WT1 O ATOM 7787 H1 TIP3 1636 46.131 96.245 -0.508 1.00 0.00 WT1 H ATOM 7788 H2 TIP3 1636 45.946 96.750 0.907 1.00 0.00 WT1 H ATOM 7789 OH2 TIP3 1637 27.953 43.835 40.306 1.00 0.00 WT1 O ATOM 7790 H1 TIP3 1637 27.202 44.250 39.882 1.00 0.00 WT1 H ATOM 7791 H2 TIP3 1637 27.742 43.854 41.239 1.00 0.00 WT1 H ATOM 7792 OH2 TIP3 1638 20.539 24.549 14.677 1.00 0.00 WT1 O ATOM 7793 H1 TIP3 1638 20.973 24.440 13.831 1.00 0.00 WT1 H ATOM 7794 H2 TIP3 1638 19.657 24.204 14.540 1.00 0.00 WT1 H ATOM 7795 OH2 TIP3 1639 51.924 5.995 25.122 1.00 0.00 WT1 O ATOM 7796 H1 TIP3 1639 51.230 6.182 25.754 1.00 0.00 WT1 H ATOM 7797 H2 TIP3 1639 52.072 6.828 24.674 1.00 0.00 WT1 H ATOM 7798 OH2 TIP3 1640 86.533 12.377 -4.295 1.00 0.00 WT1 O ATOM 7799 H1 TIP3 1640 86.887 12.540 -3.420 1.00 0.00 WT1 H ATOM 7800 H2 TIP3 1640 86.737 13.171 -4.788 1.00 0.00 WT1 H ATOM 7801 OH2 TIP3 1641 30.273 4.832 -19.298 1.00 0.00 WT1 O ATOM 7802 H1 TIP3 1641 31.078 4.442 -18.957 1.00 0.00 WT1 H ATOM 7803 H2 TIP3 1641 29.604 4.605 -18.652 1.00 0.00 WT1 H ATOM 7804 OH2 TIP3 1642 34.443 46.678 21.684 1.00 0.00 WT1 O ATOM 7805 H1 TIP3 1642 34.772 47.494 21.306 1.00 0.00 WT1 H ATOM 7806 H2 TIP3 1642 34.861 45.989 21.167 1.00 0.00 WT1 H ATOM 7807 OH2 TIP3 1643 73.370 41.838 59.848 1.00 0.00 WT1 O ATOM 7808 H1 TIP3 1643 72.704 41.860 59.161 1.00 0.00 WT1 H ATOM 7809 H2 TIP3 1643 73.977 42.541 59.617 1.00 0.00 WT1 H ATOM 7810 OH2 TIP3 1645 88.095 0.499 0.545 1.00 0.00 WT1 O ATOM 7811 H1 TIP3 1645 88.585 0.728 1.335 1.00 0.00 WT1 H ATOM 7812 H2 TIP3 1645 87.286 1.007 0.608 1.00 0.00 WT1 H ATOM 7813 OH2 TIP3 1646 55.597 20.647 -5.977 1.00 0.00 WT1 O ATOM 7814 H1 TIP3 1646 55.635 19.694 -5.896 1.00 0.00 WT1 H ATOM 7815 H2 TIP3 1646 56.506 20.932 -5.882 1.00 0.00 WT1 H ATOM 7816 OH2 TIP3 1647 50.398 70.286 65.685 1.00 0.00 WT1 O ATOM 7817 H1 TIP3 1647 50.582 70.751 66.502 1.00 0.00 WT1 H ATOM 7818 H2 TIP3 1647 49.445 70.311 65.605 1.00 0.00 WT1 H ATOM 7819 OH2 TIP3 1648 39.070 92.249 11.599 1.00 0.00 WT1 O ATOM 7820 H1 TIP3 1648 39.254 92.685 10.767 1.00 0.00 WT1 H ATOM 7821 H2 TIP3 1648 38.379 91.620 11.392 1.00 0.00 WT1 H ATOM 7822 OH2 TIP3 1649 42.994 41.458 3.497 1.00 0.00 WT1 O ATOM 7823 H1 TIP3 1649 42.404 41.336 4.241 1.00 0.00 WT1 H ATOM 7824 H2 TIP3 1649 43.775 40.952 3.725 1.00 0.00 WT1 H ATOM 7825 OH2 TIP3 1651 65.243 81.048 63.432 1.00 0.00 WT1 O ATOM 7826 H1 TIP3 1651 64.571 80.373 63.532 1.00 0.00 WT1 H ATOM 7827 H2 TIP3 1651 65.257 81.235 62.494 1.00 0.00 WT1 H ATOM 7828 OH2 TIP3 1652 80.680 87.062 60.025 1.00 0.00 WT1 O ATOM 7829 H1 TIP3 1652 79.858 86.815 59.601 1.00 0.00 WT1 H ATOM 7830 H2 TIP3 1652 80.635 86.658 60.891 1.00 0.00 WT1 H ATOM 7831 OH2 TIP3 1653 37.188 71.125 56.137 1.00 0.00 WT1 O ATOM 7832 H1 TIP3 1653 36.482 71.547 56.627 1.00 0.00 WT1 H ATOM 7833 H2 TIP3 1653 36.810 70.947 55.276 1.00 0.00 WT1 H ATOM 7834 OH2 TIP3 1655 26.977 61.631 44.055 1.00 0.00 WT1 O ATOM 7835 H1 TIP3 1655 27.616 61.770 44.754 1.00 0.00 WT1 H ATOM 7836 H2 TIP3 1655 27.364 60.949 43.507 1.00 0.00 WT1 H ATOM 7837 OH2 TIP3 1656 65.948 36.874 43.536 1.00 0.00 WT1 O ATOM 7838 H1 TIP3 1656 66.842 36.946 43.200 1.00 0.00 WT1 H ATOM 7839 H2 TIP3 1656 65.906 37.515 44.246 1.00 0.00 WT1 H ATOM 7840 OH2 TIP3 1657 57.373 95.292 32.662 1.00 0.00 WT1 O ATOM 7841 H1 TIP3 1657 57.218 95.114 31.735 1.00 0.00 WT1 H ATOM 7842 H2 TIP3 1657 56.667 94.832 33.116 1.00 0.00 WT1 H ATOM 7843 OH2 TIP3 1658 66.635 12.890 43.489 1.00 0.00 WT1 O ATOM 7844 H1 TIP3 1658 66.994 12.756 44.366 1.00 0.00 WT1 H ATOM 7845 H2 TIP3 1658 66.465 12.007 43.162 1.00 0.00 WT1 H ATOM 7846 OH2 TIP3 1659 42.434 51.383 63.726 1.00 0.00 WT1 O ATOM 7847 H1 TIP3 1659 42.400 52.219 63.261 1.00 0.00 WT1 H ATOM 7848 H2 TIP3 1659 42.796 51.600 64.584 1.00 0.00 WT1 H ATOM 7849 OH2 TIP3 1660 59.473 58.391 16.193 1.00 0.00 WT1 O ATOM 7850 H1 TIP3 1660 59.269 57.717 15.545 1.00 0.00 WT1 H ATOM 7851 H2 TIP3 1660 58.724 58.387 16.788 1.00 0.00 WT1 H ATOM 7852 OH2 TIP3 1661 84.764 33.308 28.685 1.00 0.00 WT1 O ATOM 7853 H1 TIP3 1661 85.040 33.093 27.794 1.00 0.00 WT1 H ATOM 7854 H2 TIP3 1661 83.985 32.771 28.831 1.00 0.00 WT1 H ATOM 7855 OH2 TIP3 1663 43.751 52.870 65.391 1.00 0.00 WT1 O ATOM 7856 H1 TIP3 1663 43.064 53.525 65.515 1.00 0.00 WT1 H ATOM 7857 H2 TIP3 1663 44.072 52.690 66.275 1.00 0.00 WT1 H ATOM 7858 OH2 TIP3 1664 89.823 30.426 65.914 1.00 0.00 WT1 O ATOM 7859 H1 TIP3 1664 88.920 30.744 65.920 1.00 0.00 WT1 H ATOM 7860 H2 TIP3 1664 90.252 30.935 65.227 1.00 0.00 WT1 H ATOM 7861 OH2 TIP3 1665 56.911 69.372 21.127 1.00 0.00 WT1 O ATOM 7862 H1 TIP3 1665 57.038 68.552 20.649 1.00 0.00 WT1 H ATOM 7863 H2 TIP3 1665 57.448 69.277 21.913 1.00 0.00 WT1 H ATOM 7864 OH2 TIP3 1666 31.288 41.875 7.665 1.00 0.00 WT1 O ATOM 7865 H1 TIP3 1666 32.208 41.973 7.420 1.00 0.00 WT1 H ATOM 7866 H2 TIP3 1666 31.132 42.575 8.299 1.00 0.00 WT1 H ATOM 7867 OH2 TIP3 1667 27.489 87.472 23.223 1.00 0.00 WT1 O ATOM 7868 H1 TIP3 1667 28.363 87.558 22.842 1.00 0.00 WT1 H ATOM 7869 H2 TIP3 1667 27.564 87.873 24.089 1.00 0.00 WT1 H ATOM 7870 OH2 TIP3 1668 66.437 44.587 50.855 1.00 0.00 WT1 O ATOM 7871 H1 TIP3 1668 66.293 44.761 51.785 1.00 0.00 WT1 H ATOM 7872 H2 TIP3 1668 65.674 44.076 50.586 1.00 0.00 WT1 H ATOM 7873 OH2 TIP3 1669 82.219 82.432 -7.309 1.00 0.00 WT1 O ATOM 7874 H1 TIP3 1669 82.243 82.719 -8.222 1.00 0.00 WT1 H ATOM 7875 H2 TIP3 1669 81.353 82.039 -7.204 1.00 0.00 WT1 H ATOM 7876 OH2 TIP3 1670 38.428 93.313 62.407 1.00 0.00 WT1 O ATOM 7877 H1 TIP3 1670 37.780 92.610 62.436 1.00 0.00 WT1 H ATOM 7878 H2 TIP3 1670 38.630 93.414 61.476 1.00 0.00 WT1 H ATOM 7879 OH2 TIP3 1671 28.949 77.101 15.653 1.00 0.00 WT1 O ATOM 7880 H1 TIP3 1671 28.609 76.493 14.996 1.00 0.00 WT1 H ATOM 7881 H2 TIP3 1671 29.832 76.782 15.840 1.00 0.00 WT1 H ATOM 7882 OH2 TIP3 1672 67.622 42.894 -5.218 1.00 0.00 WT1 O ATOM 7883 H1 TIP3 1672 67.331 42.585 -6.076 1.00 0.00 WT1 H ATOM 7884 H2 TIP3 1672 66.852 43.320 -4.842 1.00 0.00 WT1 H ATOM 7885 OH2 TIP3 1673 87.793 58.964 52.636 1.00 0.00 WT1 O ATOM 7886 H1 TIP3 1673 87.001 58.654 53.076 1.00 0.00 WT1 H ATOM 7887 H2 TIP3 1673 88.340 59.309 53.341 1.00 0.00 WT1 H ATOM 7888 OH2 TIP3 1675 63.144 28.635 40.182 1.00 0.00 WT1 O ATOM 7889 H1 TIP3 1675 63.593 29.414 39.854 1.00 0.00 WT1 H ATOM 7890 H2 TIP3 1675 62.226 28.897 40.248 1.00 0.00 WT1 H ATOM 7891 OH2 TIP3 1676 85.990 78.628 19.421 1.00 0.00 WT1 O ATOM 7892 H1 TIP3 1676 85.230 78.079 19.227 1.00 0.00 WT1 H ATOM 7893 H2 TIP3 1676 86.210 78.421 20.329 1.00 0.00 WT1 H ATOM 7894 OH2 TIP3 1677 57.536 90.481 19.147 1.00 0.00 WT1 O ATOM 7895 H1 TIP3 1677 58.370 90.926 19.298 1.00 0.00 WT1 H ATOM 7896 H2 TIP3 1677 56.913 91.188 18.978 1.00 0.00 WT1 H ATOM 7897 OH2 TIP3 1678 79.445 78.858 11.639 1.00 0.00 WT1 O ATOM 7898 H1 TIP3 1678 79.746 78.388 12.416 1.00 0.00 WT1 H ATOM 7899 H2 TIP3 1678 80.220 78.918 11.080 1.00 0.00 WT1 H ATOM 7900 OH2 TIP3 1679 80.883 39.150 -11.059 1.00 0.00 WT1 O ATOM 7901 H1 TIP3 1679 79.928 39.148 -11.132 1.00 0.00 WT1 H ATOM 7902 H2 TIP3 1679 81.085 39.951 -10.574 1.00 0.00 WT1 H ATOM 7903 OH2 TIP3 1680 33.556 64.315 58.513 1.00 0.00 WT1 O ATOM 7904 H1 TIP3 1680 32.994 63.559 58.344 1.00 0.00 WT1 H ATOM 7905 H2 TIP3 1680 33.135 65.036 58.044 1.00 0.00 WT1 H ATOM 7906 OH2 TIP3 1681 52.099 82.371 39.038 1.00 0.00 WT1 O ATOM 7907 H1 TIP3 1681 52.970 82.238 38.664 1.00 0.00 WT1 H ATOM 7908 H2 TIP3 1681 52.223 83.058 39.694 1.00 0.00 WT1 H ATOM 7909 OH2 TIP3 1682 38.173 12.987 23.422 1.00 0.00 WT1 O ATOM 7910 H1 TIP3 1682 38.927 12.588 22.988 1.00 0.00 WT1 H ATOM 7911 H2 TIP3 1682 38.030 13.807 22.949 1.00 0.00 WT1 H ATOM 7912 OH2 TIP3 1683 45.468 11.434 7.503 1.00 0.00 WT1 O ATOM 7913 H1 TIP3 1683 45.324 10.620 7.020 1.00 0.00 WT1 H ATOM 7914 H2 TIP3 1683 44.872 11.378 8.250 1.00 0.00 WT1 H ATOM 7915 OH2 TIP3 1684 66.386 58.590 1.490 1.00 0.00 WT1 O ATOM 7916 H1 TIP3 1684 67.020 59.305 1.545 1.00 0.00 WT1 H ATOM 7917 H2 TIP3 1684 66.327 58.253 2.384 1.00 0.00 WT1 H ATOM 7918 OH2 TIP3 1685 74.963 68.867 -4.419 1.00 0.00 WT1 O ATOM 7919 H1 TIP3 1685 74.238 68.764 -3.803 1.00 0.00 WT1 H ATOM 7920 H2 TIP3 1685 74.810 68.197 -5.085 1.00 0.00 WT1 H ATOM 7921 OH2 TIP3 1686 50.898 65.089 -8.034 1.00 0.00 WT1 O ATOM 7922 H1 TIP3 1686 51.568 65.528 -7.511 1.00 0.00 WT1 H ATOM 7923 H2 TIP3 1686 50.291 64.725 -7.390 1.00 0.00 WT1 H ATOM 7924 OH2 TIP3 1687 85.036 58.664 -13.508 1.00 0.00 WT1 O ATOM 7925 H1 TIP3 1687 85.677 57.995 -13.266 1.00 0.00 WT1 H ATOM 7926 H2 TIP3 1687 84.920 58.556 -14.452 1.00 0.00 WT1 H ATOM 7927 OH2 TIP3 1688 35.647 73.051 35.573 1.00 0.00 WT1 O ATOM 7928 H1 TIP3 1688 36.471 73.375 35.210 1.00 0.00 WT1 H ATOM 7929 H2 TIP3 1688 35.903 72.578 36.365 1.00 0.00 WT1 H ATOM 7930 OH2 TIP3 1689 76.953 53.048 5.412 1.00 0.00 WT1 O ATOM 7931 H1 TIP3 1689 77.473 53.727 5.842 1.00 0.00 WT1 H ATOM 7932 H2 TIP3 1689 76.196 52.927 5.985 1.00 0.00 WT1 H ATOM 7933 OH2 TIP3 1690 36.456 25.133 22.489 1.00 0.00 WT1 O ATOM 7934 H1 TIP3 1690 35.589 24.897 22.820 1.00 0.00 WT1 H ATOM 7935 H2 TIP3 1690 36.770 24.340 22.055 1.00 0.00 WT1 H ATOM 7936 OH2 TIP3 1691 20.267 65.503 0.037 1.00 0.00 WT1 O ATOM 7937 H1 TIP3 1691 20.288 64.880 0.763 1.00 0.00 WT1 H ATOM 7938 H2 TIP3 1691 21.178 65.779 -0.069 1.00 0.00 WT1 H ATOM 7939 OH2 TIP3 1692 64.663 59.229 -17.296 1.00 0.00 WT1 O ATOM 7940 H1 TIP3 1692 64.397 58.312 -17.366 1.00 0.00 WT1 H ATOM 7941 H2 TIP3 1692 64.240 59.658 -18.040 1.00 0.00 WT1 H ATOM 7942 OH2 TIP3 1693 55.392 48.731 -1.412 1.00 0.00 WT1 O ATOM 7943 H1 TIP3 1693 55.652 49.554 -0.999 1.00 0.00 WT1 H ATOM 7944 H2 TIP3 1693 54.621 48.957 -1.933 1.00 0.00 WT1 H ATOM 7945 OH2 TIP3 1694 46.560 5.237 7.844 1.00 0.00 WT1 O ATOM 7946 H1 TIP3 1694 46.600 5.744 8.655 1.00 0.00 WT1 H ATOM 7947 H2 TIP3 1694 47.260 4.590 7.930 1.00 0.00 WT1 H ATOM 7948 OH2 TIP3 1696 87.240 46.884 34.666 1.00 0.00 WT1 O ATOM 7949 H1 TIP3 1696 87.432 46.210 35.318 1.00 0.00 WT1 H ATOM 7950 H2 TIP3 1696 87.650 46.565 33.862 1.00 0.00 WT1 H ATOM 7951 OH2 TIP3 1697 52.853 36.253 54.546 1.00 0.00 WT1 O ATOM 7952 H1 TIP3 1697 51.913 36.076 54.549 1.00 0.00 WT1 H ATOM 7953 H2 TIP3 1697 53.109 36.205 55.467 1.00 0.00 WT1 H ATOM 7954 OH2 TIP3 1698 80.337 58.310 -0.190 1.00 0.00 WT1 O ATOM 7955 H1 TIP3 1698 79.423 58.370 -0.468 1.00 0.00 WT1 H ATOM 7956 H2 TIP3 1698 80.304 57.841 0.644 1.00 0.00 WT1 H ATOM 7957 OH2 TIP3 1700 58.980 39.051 -18.524 1.00 0.00 WT1 O ATOM 7958 H1 TIP3 1700 58.973 39.374 -17.623 1.00 0.00 WT1 H ATOM 7959 H2 TIP3 1700 58.119 38.648 -18.641 1.00 0.00 WT1 H ATOM 7960 OH2 TIP3 1701 65.454 29.487 10.938 1.00 0.00 WT1 O ATOM 7961 H1 TIP3 1701 64.988 29.471 11.774 1.00 0.00 WT1 H ATOM 7962 H2 TIP3 1701 64.770 29.356 10.280 1.00 0.00 WT1 H ATOM 7963 OH2 TIP3 1702 22.633 14.347 44.821 1.00 0.00 WT1 O ATOM 7964 H1 TIP3 1702 22.042 13.595 44.855 1.00 0.00 WT1 H ATOM 7965 H2 TIP3 1702 23.509 13.962 44.784 1.00 0.00 WT1 H ATOM 7966 OH2 TIP3 1703 89.334 66.915 45.225 1.00 0.00 WT1 O ATOM 7967 H1 TIP3 1703 89.999 67.283 44.643 1.00 0.00 WT1 H ATOM 7968 H2 TIP3 1703 89.258 66.000 44.955 1.00 0.00 WT1 H ATOM 7969 OH2 TIP3 1704 24.938 50.191 -17.916 1.00 0.00 WT1 O ATOM 7970 H1 TIP3 1704 25.406 51.007 -18.090 1.00 0.00 WT1 H ATOM 7971 H2 TIP3 1704 25.350 49.841 -17.125 1.00 0.00 WT1 H ATOM 7972 OH2 TIP3 1706 60.791 45.622 57.403 1.00 0.00 WT1 O ATOM 7973 H1 TIP3 1706 59.961 45.540 56.933 1.00 0.00 WT1 H ATOM 7974 H2 TIP3 1706 60.717 46.449 57.879 1.00 0.00 WT1 H ATOM 7975 OH2 TIP3 1707 81.732 81.922 13.783 1.00 0.00 WT1 O ATOM 7976 H1 TIP3 1707 81.365 81.057 13.602 1.00 0.00 WT1 H ATOM 7977 H2 TIP3 1707 81.459 82.116 14.680 1.00 0.00 WT1 H ATOM 7978 OH2 TIP3 1708 48.537 60.614 4.268 1.00 0.00 WT1 O ATOM 7979 H1 TIP3 1708 48.841 61.499 4.470 1.00 0.00 WT1 H ATOM 7980 H2 TIP3 1708 49.292 60.054 4.447 1.00 0.00 WT1 H ATOM 7981 OH2 TIP3 1710 25.784 55.125 39.087 1.00 0.00 WT1 O ATOM 7982 H1 TIP3 1710 26.621 55.589 39.096 1.00 0.00 WT1 H ATOM 7983 H2 TIP3 1710 25.611 54.960 38.160 1.00 0.00 WT1 H ATOM 7984 OH2 TIP3 1711 27.050 45.217 45.369 1.00 0.00 WT1 O ATOM 7985 H1 TIP3 1711 27.031 44.432 44.821 1.00 0.00 WT1 H ATOM 7986 H2 TIP3 1711 27.918 45.592 45.220 1.00 0.00 WT1 H ATOM 7987 OH2 TIP3 1713 85.498 46.135 61.182 1.00 0.00 WT1 O ATOM 7988 H1 TIP3 1713 84.744 46.702 61.020 1.00 0.00 WT1 H ATOM 7989 H2 TIP3 1713 85.350 45.373 60.622 1.00 0.00 WT1 H ATOM 7990 OH2 TIP3 1714 66.620 10.570 64.129 1.00 0.00 WT1 O ATOM 7991 H1 TIP3 1714 67.010 10.893 64.941 1.00 0.00 WT1 H ATOM 7992 H2 TIP3 1714 66.657 9.617 64.209 1.00 0.00 WT1 H ATOM 7993 OH2 TIP3 1715 47.952 70.768 -4.700 1.00 0.00 WT1 O ATOM 7994 H1 TIP3 1715 47.955 70.435 -3.803 1.00 0.00 WT1 H ATOM 7995 H2 TIP3 1715 48.808 71.185 -4.803 1.00 0.00 WT1 H ATOM 7996 OH2 TIP3 1716 34.757 4.564 16.061 1.00 0.00 WT1 O ATOM 7997 H1 TIP3 1716 34.428 4.418 16.948 1.00 0.00 WT1 H ATOM 7998 H2 TIP3 1716 35.539 4.014 16.002 1.00 0.00 WT1 H ATOM 7999 OH2 TIP3 1717 22.275 55.396 46.024 1.00 0.00 WT1 O ATOM 8000 H1 TIP3 1717 22.692 56.246 46.166 1.00 0.00 WT1 H ATOM 8001 H2 TIP3 1717 23.002 54.795 45.863 1.00 0.00 WT1 H ATOM 8002 OH2 TIP3 1718 28.228 8.524 58.816 1.00 0.00 WT1 O ATOM 8003 H1 TIP3 1718 28.206 9.478 58.744 1.00 0.00 WT1 H ATOM 8004 H2 TIP3 1718 28.595 8.356 59.683 1.00 0.00 WT1 H ATOM 8005 OH2 TIP3 1719 41.572 53.809 38.764 1.00 0.00 WT1 O ATOM 8006 H1 TIP3 1719 41.788 54.698 38.481 1.00 0.00 WT1 H ATOM 8007 H2 TIP3 1719 41.284 53.366 37.965 1.00 0.00 WT1 H ATOM 8008 OH2 TIP3 1720 62.482 46.185 45.711 1.00 0.00 WT1 O ATOM 8009 H1 TIP3 1720 61.910 46.934 45.541 1.00 0.00 WT1 H ATOM 8010 H2 TIP3 1720 61.943 45.421 45.509 1.00 0.00 WT1 H ATOM 8011 OH2 TIP3 1721 86.325 82.229 1.110 1.00 0.00 WT1 O ATOM 8012 H1 TIP3 1721 86.187 81.380 1.529 1.00 0.00 WT1 H ATOM 8013 H2 TIP3 1721 86.144 82.073 0.183 1.00 0.00 WT1 H ATOM 8014 OH2 TIP3 1722 77.633 69.625 50.298 1.00 0.00 WT1 O ATOM 8015 H1 TIP3 1722 78.419 69.079 50.286 1.00 0.00 WT1 H ATOM 8016 H2 TIP3 1722 77.121 69.325 49.547 1.00 0.00 WT1 H ATOM 8017 OH2 TIP3 1723 36.120 88.838 58.021 1.00 0.00 WT1 O ATOM 8018 H1 TIP3 1723 36.294 88.179 58.693 1.00 0.00 WT1 H ATOM 8019 H2 TIP3 1723 36.985 89.070 57.683 1.00 0.00 WT1 H ATOM 8020 OH2 TIP3 1724 34.943 0.549 34.543 1.00 0.00 WT1 O ATOM 8021 H1 TIP3 1724 35.317 -0.193 35.019 1.00 0.00 WT1 H ATOM 8022 H2 TIP3 1724 34.424 0.149 33.845 1.00 0.00 WT1 H ATOM 8023 OH2 TIP3 1725 72.726 3.765 56.504 1.00 0.00 WT1 O ATOM 8024 H1 TIP3 1725 73.616 3.494 56.731 1.00 0.00 WT1 H ATOM 8025 H2 TIP3 1725 72.638 4.640 56.883 1.00 0.00 WT1 H ATOM 8026 OH2 TIP3 1726 33.207 56.828 4.349 1.00 0.00 WT1 O ATOM 8027 H1 TIP3 1726 34.135 56.608 4.269 1.00 0.00 WT1 H ATOM 8028 H2 TIP3 1726 33.099 57.611 3.809 1.00 0.00 WT1 H ATOM 8029 OH2 TIP3 1727 67.977 90.661 51.229 1.00 0.00 WT1 O ATOM 8030 H1 TIP3 1727 67.916 90.406 52.150 1.00 0.00 WT1 H ATOM 8031 H2 TIP3 1727 68.559 91.421 51.229 1.00 0.00 WT1 H ATOM 8032 OH2 TIP3 1728 68.776 87.648 39.003 1.00 0.00 WT1 O ATOM 8033 H1 TIP3 1728 69.599 87.167 38.917 1.00 0.00 WT1 H ATOM 8034 H2 TIP3 1728 68.133 87.107 38.543 1.00 0.00 WT1 H ATOM 8035 OH2 TIP3 1729 40.831 25.052 -17.532 1.00 0.00 WT1 O ATOM 8036 H1 TIP3 1729 41.051 25.972 -17.680 1.00 0.00 WT1 H ATOM 8037 H2 TIP3 1729 41.352 24.574 -18.177 1.00 0.00 WT1 H ATOM 8038 OH2 TIP3 1730 49.532 50.188 1.720 1.00 0.00 WT1 O ATOM 8039 H1 TIP3 1730 49.678 50.744 2.485 1.00 0.00 WT1 H ATOM 8040 H2 TIP3 1730 50.411 49.935 1.436 1.00 0.00 WT1 H ATOM 8041 OH2 TIP3 1731 58.084 83.729 6.394 1.00 0.00 WT1 O ATOM 8042 H1 TIP3 1731 57.184 83.560 6.115 1.00 0.00 WT1 H ATOM 8043 H2 TIP3 1731 58.622 83.210 5.796 1.00 0.00 WT1 H ATOM 8044 OH2 TIP3 1732 64.547 93.687 40.388 1.00 0.00 WT1 O ATOM 8045 H1 TIP3 1732 65.431 93.644 40.753 1.00 0.00 WT1 H ATOM 8046 H2 TIP3 1732 64.349 92.787 40.131 1.00 0.00 WT1 H ATOM 8047 OH2 TIP3 1733 36.242 4.335 40.697 1.00 0.00 WT1 O ATOM 8048 H1 TIP3 1733 36.213 3.468 40.292 1.00 0.00 WT1 H ATOM 8049 H2 TIP3 1733 37.058 4.721 40.378 1.00 0.00 WT1 H ATOM 8050 OH2 TIP3 1734 53.447 83.659 35.272 1.00 0.00 WT1 O ATOM 8051 H1 TIP3 1734 54.338 83.416 35.019 1.00 0.00 WT1 H ATOM 8052 H2 TIP3 1734 53.068 82.851 35.619 1.00 0.00 WT1 H ATOM 8053 OH2 TIP3 1735 77.657 27.378 -6.345 1.00 0.00 WT1 O ATOM 8054 H1 TIP3 1735 77.410 27.850 -5.550 1.00 0.00 WT1 H ATOM 8055 H2 TIP3 1735 76.993 27.627 -6.988 1.00 0.00 WT1 H ATOM 8056 OH2 TIP3 1736 89.371 87.657 44.529 1.00 0.00 WT1 O ATOM 8057 H1 TIP3 1736 88.849 88.061 45.222 1.00 0.00 WT1 H ATOM 8058 H2 TIP3 1736 90.157 88.201 44.473 1.00 0.00 WT1 H ATOM 8059 OH2 TIP3 1737 26.256 49.957 35.826 1.00 0.00 WT1 O ATOM 8060 H1 TIP3 1737 26.104 50.852 36.130 1.00 0.00 WT1 H ATOM 8061 H2 TIP3 1737 26.571 50.059 34.928 1.00 0.00 WT1 H ATOM 8062 OH2 TIP3 1738 69.721 41.482 56.025 1.00 0.00 WT1 O ATOM 8063 H1 TIP3 1738 69.546 40.653 55.579 1.00 0.00 WT1 H ATOM 8064 H2 TIP3 1738 69.222 42.131 55.528 1.00 0.00 WT1 H ATOM 8065 OH2 TIP3 1739 90.646 95.110 11.129 1.00 0.00 WT1 O ATOM 8066 H1 TIP3 1739 90.420 95.257 10.211 1.00 0.00 WT1 H ATOM 8067 H2 TIP3 1739 90.075 94.393 11.404 1.00 0.00 WT1 H ATOM 8068 OH2 TIP3 1741 68.863 17.532 12.300 1.00 0.00 WT1 O ATOM 8069 H1 TIP3 1741 67.928 17.359 12.415 1.00 0.00 WT1 H ATOM 8070 H2 TIP3 1741 69.100 18.076 13.051 1.00 0.00 WT1 H ATOM 8071 OH2 TIP3 1742 29.078 53.627 39.889 1.00 0.00 WT1 O ATOM 8072 H1 TIP3 1742 28.849 54.542 39.729 1.00 0.00 WT1 H ATOM 8073 H2 TIP3 1742 29.979 53.657 40.211 1.00 0.00 WT1 H ATOM 8074 OH2 TIP3 1743 40.731 43.647 32.188 1.00 0.00 WT1 O ATOM 8075 H1 TIP3 1743 41.393 43.281 31.602 1.00 0.00 WT1 H ATOM 8076 H2 TIP3 1743 41.234 44.073 32.882 1.00 0.00 WT1 H ATOM 8077 OH2 TIP3 1744 57.748 78.931 60.210 1.00 0.00 WT1 O ATOM 8078 H1 TIP3 1744 56.850 78.636 60.361 1.00 0.00 WT1 H ATOM 8079 H2 TIP3 1744 58.239 78.128 60.041 1.00 0.00 WT1 H ATOM 8080 OH2 TIP3 1745 85.029 37.571 59.400 1.00 0.00 WT1 O ATOM 8081 H1 TIP3 1745 84.139 37.924 59.391 1.00 0.00 WT1 H ATOM 8082 H2 TIP3 1745 85.005 36.842 58.780 1.00 0.00 WT1 H ATOM 8083 OH2 TIP3 1746 77.734 71.072 42.305 1.00 0.00 WT1 O ATOM 8084 H1 TIP3 1746 78.258 71.814 42.607 1.00 0.00 WT1 H ATOM 8085 H2 TIP3 1746 78.070 70.881 41.429 1.00 0.00 WT1 H ATOM 8086 OH2 TIP3 1747 88.153 55.367 61.935 1.00 0.00 WT1 O ATOM 8087 H1 TIP3 1747 87.866 56.251 62.166 1.00 0.00 WT1 H ATOM 8088 H2 TIP3 1747 87.370 54.826 62.037 1.00 0.00 WT1 H ATOM 8089 OH2 TIP3 1748 58.849 24.259 53.549 1.00 0.00 WT1 O ATOM 8090 H1 TIP3 1748 58.607 24.971 54.142 1.00 0.00 WT1 H ATOM 8091 H2 TIP3 1748 58.686 24.611 52.674 1.00 0.00 WT1 H ATOM 8092 OH2 TIP3 1749 71.439 4.038 -10.479 1.00 0.00 WT1 O ATOM 8093 H1 TIP3 1749 71.864 3.381 -9.927 1.00 0.00 WT1 H ATOM 8094 H2 TIP3 1749 72.152 4.608 -10.766 1.00 0.00 WT1 H ATOM 8095 OH2 TIP3 1750 79.564 39.363 33.084 1.00 0.00 WT1 O ATOM 8096 H1 TIP3 1750 79.703 38.651 32.459 1.00 0.00 WT1 H ATOM 8097 H2 TIP3 1750 79.805 38.989 33.932 1.00 0.00 WT1 H ATOM 8098 OH2 TIP3 1751 88.302 47.103 -19.375 1.00 0.00 WT1 O ATOM 8099 H1 TIP3 1751 87.418 47.449 -19.247 1.00 0.00 WT1 H ATOM 8100 H2 TIP3 1751 88.176 46.316 -19.905 1.00 0.00 WT1 H ATOM 8101 OH2 TIP3 1752 36.493 66.589 -9.426 1.00 0.00 WT1 O ATOM 8102 H1 TIP3 1752 37.342 66.350 -9.055 1.00 0.00 WT1 H ATOM 8103 H2 TIP3 1752 36.110 65.757 -9.704 1.00 0.00 WT1 H ATOM 8104 OH2 TIP3 1753 63.452 58.184 49.757 1.00 0.00 WT1 O ATOM 8105 H1 TIP3 1753 63.815 57.461 49.245 1.00 0.00 WT1 H ATOM 8106 H2 TIP3 1753 63.136 57.773 50.562 1.00 0.00 WT1 H ATOM 8107 OH2 TIP3 1754 66.702 89.737 14.549 1.00 0.00 WT1 O ATOM 8108 H1 TIP3 1754 66.387 89.345 13.735 1.00 0.00 WT1 H ATOM 8109 H2 TIP3 1754 67.629 89.910 14.390 1.00 0.00 WT1 H ATOM 8110 OH2 TIP3 1755 21.659 94.599 36.552 1.00 0.00 WT1 O ATOM 8111 H1 TIP3 1755 21.087 93.845 36.693 1.00 0.00 WT1 H ATOM 8112 H2 TIP3 1755 21.137 95.352 36.831 1.00 0.00 WT1 H ATOM 8113 OH2 TIP3 1756 69.020 80.712 -9.720 1.00 0.00 WT1 O ATOM 8114 H1 TIP3 1756 68.156 80.794 -9.315 1.00 0.00 WT1 H ATOM 8115 H2 TIP3 1756 68.913 81.091 -10.592 1.00 0.00 WT1 H ATOM 8116 OH2 TIP3 1757 82.982 43.238 -7.346 1.00 0.00 WT1 O ATOM 8117 H1 TIP3 1757 82.123 43.287 -6.928 1.00 0.00 WT1 H ATOM 8118 H2 TIP3 1757 83.124 44.113 -7.706 1.00 0.00 WT1 H ATOM 8119 OH2 TIP3 1758 87.264 27.352 -3.165 1.00 0.00 WT1 O ATOM 8120 H1 TIP3 1758 87.301 28.117 -2.591 1.00 0.00 WT1 H ATOM 8121 H2 TIP3 1758 88.056 26.857 -2.955 1.00 0.00 WT1 H ATOM 8122 OH2 TIP3 1759 82.467 77.777 37.198 1.00 0.00 WT1 O ATOM 8123 H1 TIP3 1759 83.103 77.556 36.518 1.00 0.00 WT1 H ATOM 8124 H2 TIP3 1759 82.710 78.659 37.477 1.00 0.00 WT1 H ATOM 8125 OH2 TIP3 1760 53.380 8.071 24.141 1.00 0.00 WT1 O ATOM 8126 H1 TIP3 1760 52.957 8.728 23.589 1.00 0.00 WT1 H ATOM 8127 H2 TIP3 1760 54.282 8.035 23.823 1.00 0.00 WT1 H ATOM 8128 OH2 TIP3 1761 74.947 28.236 59.405 1.00 0.00 WT1 O ATOM 8129 H1 TIP3 1761 75.174 29.085 59.025 1.00 0.00 WT1 H ATOM 8130 H2 TIP3 1761 75.374 27.596 58.836 1.00 0.00 WT1 H ATOM 8131 OH2 TIP3 1762 30.427 25.159 0.137 1.00 0.00 WT1 O ATOM 8132 H1 TIP3 1762 30.603 26.086 -0.019 1.00 0.00 WT1 H ATOM 8133 H2 TIP3 1762 31.272 24.729 0.005 1.00 0.00 WT1 H ATOM 8134 OH2 TIP3 1763 73.473 91.272 63.449 1.00 0.00 WT1 O ATOM 8135 H1 TIP3 1763 73.372 91.301 64.401 1.00 0.00 WT1 H ATOM 8136 H2 TIP3 1763 74.281 90.779 63.309 1.00 0.00 WT1 H ATOM 8137 OH2 TIP3 1764 30.092 18.946 3.223 1.00 0.00 WT1 O ATOM 8138 H1 TIP3 1764 30.675 18.967 3.983 1.00 0.00 WT1 H ATOM 8139 H2 TIP3 1764 29.454 19.639 3.391 1.00 0.00 WT1 H ATOM 8140 OH2 TIP3 1765 76.996 7.118 44.022 1.00 0.00 WT1 O ATOM 8141 H1 TIP3 1765 77.314 8.020 43.975 1.00 0.00 WT1 H ATOM 8142 H2 TIP3 1765 77.024 6.807 43.117 1.00 0.00 WT1 H ATOM 8143 OH2 TIP3 1766 69.108 4.803 13.871 1.00 0.00 WT1 O ATOM 8144 H1 TIP3 1766 69.240 4.665 12.933 1.00 0.00 WT1 H ATOM 8145 H2 TIP3 1766 69.991 4.802 14.240 1.00 0.00 WT1 H ATOM 8146 OH2 TIP3 1767 38.966 73.788 -16.272 1.00 0.00 WT1 O ATOM 8147 H1 TIP3 1767 39.128 73.518 -17.176 1.00 0.00 WT1 H ATOM 8148 H2 TIP3 1767 38.015 73.886 -16.217 1.00 0.00 WT1 H ATOM 8149 OH2 TIP3 1768 20.767 12.396 -12.407 1.00 0.00 WT1 O ATOM 8150 H1 TIP3 1768 20.676 13.345 -12.319 1.00 0.00 WT1 H ATOM 8151 H2 TIP3 1768 20.403 12.200 -13.271 1.00 0.00 WT1 H ATOM 8152 OH2 TIP3 1769 39.187 56.990 34.706 1.00 0.00 WT1 O ATOM 8153 H1 TIP3 1769 38.933 56.514 33.915 1.00 0.00 WT1 H ATOM 8154 H2 TIP3 1769 40.015 56.590 34.971 1.00 0.00 WT1 H ATOM 8155 OH2 TIP3 1770 82.645 60.241 -13.615 1.00 0.00 WT1 O ATOM 8156 H1 TIP3 1770 81.949 59.585 -13.637 1.00 0.00 WT1 H ATOM 8157 H2 TIP3 1770 83.450 59.734 -13.506 1.00 0.00 WT1 H ATOM 8158 OH2 TIP3 1771 42.768 96.301 34.680 1.00 0.00 WT1 O ATOM 8159 H1 TIP3 1771 43.254 96.117 35.484 1.00 0.00 WT1 H ATOM 8160 H2 TIP3 1771 42.675 97.253 34.667 1.00 0.00 WT1 H ATOM 8161 OH2 TIP3 1772 54.950 79.632 45.349 1.00 0.00 WT1 O ATOM 8162 H1 TIP3 1772 55.207 79.923 44.474 1.00 0.00 WT1 H ATOM 8163 H2 TIP3 1772 55.141 78.694 45.356 1.00 0.00 WT1 H ATOM 8164 OH2 TIP3 1773 51.931 49.654 46.875 1.00 0.00 WT1 O ATOM 8165 H1 TIP3 1773 51.479 50.361 47.336 1.00 0.00 WT1 H ATOM 8166 H2 TIP3 1773 52.853 49.769 47.107 1.00 0.00 WT1 H ATOM 8167 OH2 TIP3 1774 52.876 48.939 -7.141 1.00 0.00 WT1 O ATOM 8168 H1 TIP3 1774 52.149 48.948 -6.518 1.00 0.00 WT1 H ATOM 8169 H2 TIP3 1774 53.655 49.083 -6.603 1.00 0.00 WT1 H ATOM 8170 OH2 TIP3 1775 45.701 64.014 55.524 1.00 0.00 WT1 O ATOM 8171 H1 TIP3 1775 45.747 63.058 55.511 1.00 0.00 WT1 H ATOM 8172 H2 TIP3 1775 45.838 64.273 54.612 1.00 0.00 WT1 H ATOM 8173 OH2 TIP3 1776 88.956 89.588 3.103 1.00 0.00 WT1 O ATOM 8174 H1 TIP3 1776 88.814 88.664 3.307 1.00 0.00 WT1 H ATOM 8175 H2 TIP3 1776 89.780 89.807 3.538 1.00 0.00 WT1 H ATOM 8176 OH2 TIP3 1777 31.898 51.849 34.146 1.00 0.00 WT1 O ATOM 8177 H1 TIP3 1777 31.210 52.471 33.910 1.00 0.00 WT1 H ATOM 8178 H2 TIP3 1777 32.467 52.335 34.743 1.00 0.00 WT1 H ATOM 8179 OH2 TIP3 1778 27.744 19.674 16.637 1.00 0.00 WT1 O ATOM 8180 H1 TIP3 1778 28.594 19.242 16.551 1.00 0.00 WT1 H ATOM 8181 H2 TIP3 1778 27.896 20.566 16.325 1.00 0.00 WT1 H ATOM 8182 OH2 TIP3 1779 67.827 37.376 62.778 1.00 0.00 WT1 O ATOM 8183 H1 TIP3 1779 67.446 36.763 63.406 1.00 0.00 WT1 H ATOM 8184 H2 TIP3 1779 68.563 37.771 63.246 1.00 0.00 WT1 H ATOM 8185 OH2 TIP3 1781 62.417 19.606 -2.327 1.00 0.00 WT1 O ATOM 8186 H1 TIP3 1781 63.155 19.693 -2.931 1.00 0.00 WT1 H ATOM 8187 H2 TIP3 1781 61.711 19.242 -2.861 1.00 0.00 WT1 H ATOM 8188 OH2 TIP3 1782 57.238 77.606 66.148 1.00 0.00 WT1 O ATOM 8189 H1 TIP3 1782 57.708 77.204 65.417 1.00 0.00 WT1 H ATOM 8190 H2 TIP3 1782 57.483 77.079 66.908 1.00 0.00 WT1 H ATOM 8191 OH2 TIP3 1783 57.957 71.538 57.414 1.00 0.00 WT1 O ATOM 8192 H1 TIP3 1783 57.588 70.986 56.724 1.00 0.00 WT1 H ATOM 8193 H2 TIP3 1783 58.692 71.031 57.759 1.00 0.00 WT1 H ATOM 8194 OH2 TIP3 1784 48.987 31.690 -9.551 1.00 0.00 WT1 O ATOM 8195 H1 TIP3 1784 48.191 32.020 -9.968 1.00 0.00 WT1 H ATOM 8196 H2 TIP3 1784 48.716 31.463 -8.662 1.00 0.00 WT1 H ATOM 8197 OH2 TIP3 1785 57.552 28.702 39.326 1.00 0.00 WT1 O ATOM 8198 H1 TIP3 1785 56.897 29.396 39.401 1.00 0.00 WT1 H ATOM 8199 H2 TIP3 1785 57.106 27.916 39.642 1.00 0.00 WT1 H ATOM 8200 OH2 TIP3 1786 34.905 90.099 37.347 1.00 0.00 WT1 O ATOM 8201 H1 TIP3 1786 34.295 89.676 37.952 1.00 0.00 WT1 H ATOM 8202 H2 TIP3 1786 35.641 89.490 37.284 1.00 0.00 WT1 H ATOM 8203 OH2 TIP3 1787 42.373 54.376 18.728 1.00 0.00 WT1 O ATOM 8204 H1 TIP3 1787 41.462 54.652 18.621 1.00 0.00 WT1 H ATOM 8205 H2 TIP3 1787 42.888 55.137 18.462 1.00 0.00 WT1 H ATOM 8206 OH2 TIP3 1788 42.706 29.816 33.341 1.00 0.00 WT1 O ATOM 8207 H1 TIP3 1788 42.378 30.405 34.020 1.00 0.00 WT1 H ATOM 8208 H2 TIP3 1788 43.512 30.230 33.033 1.00 0.00 WT1 H ATOM 8209 OH2 TIP3 1789 61.981 4.391 56.370 1.00 0.00 WT1 O ATOM 8210 H1 TIP3 1789 62.820 4.020 56.642 1.00 0.00 WT1 H ATOM 8211 H2 TIP3 1789 61.378 4.167 57.080 1.00 0.00 WT1 H ATOM 8212 OH2 TIP3 1790 71.006 14.542 -5.812 1.00 0.00 WT1 O ATOM 8213 H1 TIP3 1790 70.832 14.447 -4.876 1.00 0.00 WT1 H ATOM 8214 H2 TIP3 1790 70.238 15.001 -6.153 1.00 0.00 WT1 H ATOM 8215 OH2 TIP3 1791 75.597 45.926 -5.493 1.00 0.00 WT1 O ATOM 8216 H1 TIP3 1791 75.984 46.375 -4.742 1.00 0.00 WT1 H ATOM 8217 H2 TIP3 1791 74.746 45.621 -5.178 1.00 0.00 WT1 H ATOM 8218 OH2 TIP3 1792 53.915 79.606 -1.427 1.00 0.00 WT1 O ATOM 8219 H1 TIP3 1792 53.417 80.390 -1.660 1.00 0.00 WT1 H ATOM 8220 H2 TIP3 1792 53.250 78.963 -1.180 1.00 0.00 WT1 H ATOM 8221 OH2 TIP3 1793 48.730 47.369 -5.846 1.00 0.00 WT1 O ATOM 8222 H1 TIP3 1793 48.282 48.205 -5.978 1.00 0.00 WT1 H ATOM 8223 H2 TIP3 1793 48.784 47.274 -4.895 1.00 0.00 WT1 H ATOM 8224 OH2 TIP3 1794 57.620 67.959 58.435 1.00 0.00 WT1 O ATOM 8225 H1 TIP3 1794 58.175 68.662 58.099 1.00 0.00 WT1 H ATOM 8226 H2 TIP3 1794 57.736 67.994 59.385 1.00 0.00 WT1 H ATOM 8227 OH2 TIP3 1795 32.715 24.254 61.763 1.00 0.00 WT1 O ATOM 8228 H1 TIP3 1795 31.782 24.059 61.847 1.00 0.00 WT1 H ATOM 8229 H2 TIP3 1795 32.981 24.537 62.638 1.00 0.00 WT1 H ATOM 8230 OH2 TIP3 1796 29.800 32.237 9.689 1.00 0.00 WT1 O ATOM 8231 H1 TIP3 1796 29.601 31.324 9.898 1.00 0.00 WT1 H ATOM 8232 H2 TIP3 1796 29.179 32.465 8.997 1.00 0.00 WT1 H ATOM 8233 OH2 TIP3 1797 47.445 14.794 18.452 1.00 0.00 WT1 O ATOM 8234 H1 TIP3 1797 46.493 14.701 18.470 1.00 0.00 WT1 H ATOM 8235 H2 TIP3 1797 47.596 15.622 17.996 1.00 0.00 WT1 H ATOM 8236 OH2 TIP3 1798 31.838 17.103 1.833 1.00 0.00 WT1 O ATOM 8237 H1 TIP3 1798 31.329 17.714 2.366 1.00 0.00 WT1 H ATOM 8238 H2 TIP3 1798 32.149 17.630 1.096 1.00 0.00 WT1 H ATOM 8239 OH2 TIP3 1799 42.599 25.795 34.897 1.00 0.00 WT1 O ATOM 8240 H1 TIP3 1799 42.681 24.856 35.067 1.00 0.00 WT1 H ATOM 8241 H2 TIP3 1799 43.497 26.125 34.933 1.00 0.00 WT1 H ATOM 8242 OH2 TIP3 1800 87.912 94.764 65.037 1.00 0.00 WT1 O ATOM 8243 H1 TIP3 1800 88.383 95.125 65.788 1.00 0.00 WT1 H ATOM 8244 H2 TIP3 1800 87.469 95.518 64.647 1.00 0.00 WT1 H ATOM 8245 OH2 TIP3 1801 22.720 66.119 23.465 1.00 0.00 WT1 O ATOM 8246 H1 TIP3 1801 21.989 65.842 22.913 1.00 0.00 WT1 H ATOM 8247 H2 TIP3 1801 23.496 65.763 23.032 1.00 0.00 WT1 H ATOM 8248 OH2 TIP3 1802 74.550 72.066 14.122 1.00 0.00 WT1 O ATOM 8249 H1 TIP3 1802 74.134 71.205 14.099 1.00 0.00 WT1 H ATOM 8250 H2 TIP3 1802 73.981 72.623 13.591 1.00 0.00 WT1 H ATOM 8251 OH2 TIP3 1803 85.395 71.281 23.358 1.00 0.00 WT1 O ATOM 8252 H1 TIP3 1803 85.895 70.910 22.630 1.00 0.00 WT1 H ATOM 8253 H2 TIP3 1803 85.608 70.721 24.105 1.00 0.00 WT1 H ATOM 8254 OH2 TIP3 1804 65.129 36.501 41.070 1.00 0.00 WT1 O ATOM 8255 H1 TIP3 1804 65.289 36.476 42.013 1.00 0.00 WT1 H ATOM 8256 H2 TIP3 1804 64.359 37.061 40.971 1.00 0.00 WT1 H ATOM 8257 OH2 TIP3 1805 42.911 19.036 40.769 1.00 0.00 WT1 O ATOM 8258 H1 TIP3 1805 42.145 18.779 41.283 1.00 0.00 WT1 H ATOM 8259 H2 TIP3 1805 42.635 18.935 39.859 1.00 0.00 WT1 H ATOM 8260 OH2 TIP3 1807 65.853 67.944 60.034 1.00 0.00 WT1 O ATOM 8261 H1 TIP3 1807 65.212 67.266 59.818 1.00 0.00 WT1 H ATOM 8262 H2 TIP3 1807 66.698 67.554 59.811 1.00 0.00 WT1 H ATOM 8263 OH2 TIP3 1808 84.213 12.087 50.992 1.00 0.00 WT1 O ATOM 8264 H1 TIP3 1808 84.705 12.887 50.808 1.00 0.00 WT1 H ATOM 8265 H2 TIP3 1808 83.964 12.164 51.912 1.00 0.00 WT1 H ATOM 8266 OH2 TIP3 1809 84.870 39.151 -5.163 1.00 0.00 WT1 O ATOM 8267 H1 TIP3 1809 85.802 38.935 -5.203 1.00 0.00 WT1 H ATOM 8268 H2 TIP3 1809 84.436 38.315 -4.997 1.00 0.00 WT1 H ATOM 8269 OH2 TIP3 1810 76.391 33.333 -4.714 1.00 0.00 WT1 O ATOM 8270 H1 TIP3 1810 76.945 33.714 -4.033 1.00 0.00 WT1 H ATOM 8271 H2 TIP3 1810 75.630 33.912 -4.755 1.00 0.00 WT1 H ATOM 8272 OH2 TIP3 1811 33.427 6.354 -16.184 1.00 0.00 WT1 O ATOM 8273 H1 TIP3 1811 32.884 7.070 -16.514 1.00 0.00 WT1 H ATOM 8274 H2 TIP3 1811 34.119 6.788 -15.685 1.00 0.00 WT1 H ATOM 8275 OH2 TIP3 1812 47.736 76.614 -17.025 1.00 0.00 WT1 O ATOM 8276 H1 TIP3 1812 46.905 76.470 -17.477 1.00 0.00 WT1 H ATOM 8277 H2 TIP3 1812 48.024 77.478 -17.321 1.00 0.00 WT1 H ATOM 8278 OH2 TIP3 1813 56.453 19.036 -0.167 1.00 0.00 WT1 O ATOM 8279 H1 TIP3 1813 56.179 19.933 -0.357 1.00 0.00 WT1 H ATOM 8280 H2 TIP3 1813 56.152 18.879 0.728 1.00 0.00 WT1 H ATOM 8281 OH2 TIP3 1814 88.778 36.554 33.485 1.00 0.00 WT1 O ATOM 8282 H1 TIP3 1814 87.852 36.444 33.701 1.00 0.00 WT1 H ATOM 8283 H2 TIP3 1814 88.831 36.359 32.549 1.00 0.00 WT1 H ATOM 8284 OH2 TIP3 1815 32.991 58.988 37.982 1.00 0.00 WT1 O ATOM 8285 H1 TIP3 1815 32.220 59.210 37.460 1.00 0.00 WT1 H ATOM 8286 H2 TIP3 1815 32.939 59.566 38.744 1.00 0.00 WT1 H ATOM 8287 OH2 TIP3 1816 51.125 83.078 57.853 1.00 0.00 WT1 O ATOM 8288 H1 TIP3 1816 51.601 83.710 58.392 1.00 0.00 WT1 H ATOM 8289 H2 TIP3 1816 51.176 82.258 58.345 1.00 0.00 WT1 H ATOM 8290 OH2 TIP3 1817 83.682 81.395 17.777 1.00 0.00 WT1 O ATOM 8291 H1 TIP3 1817 84.442 81.619 18.315 1.00 0.00 WT1 H ATOM 8292 H2 TIP3 1817 82.995 81.183 18.410 1.00 0.00 WT1 H ATOM 8293 OH2 TIP3 1818 90.764 21.066 -14.004 1.00 0.00 WT1 O ATOM 8294 H1 TIP3 1818 89.872 20.988 -13.666 1.00 0.00 WT1 H ATOM 8295 H2 TIP3 1818 90.705 21.735 -14.686 1.00 0.00 WT1 H ATOM 8296 OH2 TIP3 1819 45.193 25.175 0.360 1.00 0.00 WT1 O ATOM 8297 H1 TIP3 1819 45.079 24.842 -0.530 1.00 0.00 WT1 H ATOM 8298 H2 TIP3 1819 45.571 26.047 0.244 1.00 0.00 WT1 H ATOM 8299 OH2 TIP3 1820 71.403 89.641 50.094 1.00 0.00 WT1 O ATOM 8300 H1 TIP3 1820 72.219 89.152 50.201 1.00 0.00 WT1 H ATOM 8301 H2 TIP3 1820 70.716 89.016 50.328 1.00 0.00 WT1 H ATOM 8302 OH2 TIP3 1821 44.109 2.992 62.855 1.00 0.00 WT1 O ATOM 8303 H1 TIP3 1821 44.575 2.156 62.828 1.00 0.00 WT1 H ATOM 8304 H2 TIP3 1821 44.063 3.211 63.785 1.00 0.00 WT1 H ATOM 8305 OH2 TIP3 1823 80.223 94.055 -2.441 1.00 0.00 WT1 O ATOM 8306 H1 TIP3 1823 79.370 94.490 -2.465 1.00 0.00 WT1 H ATOM 8307 H2 TIP3 1823 80.023 93.148 -2.208 1.00 0.00 WT1 H ATOM 8308 OH2 TIP3 1824 73.089 14.497 48.564 1.00 0.00 WT1 O ATOM 8309 H1 TIP3 1824 72.585 14.736 49.342 1.00 0.00 WT1 H ATOM 8310 H2 TIP3 1824 72.430 14.362 47.883 1.00 0.00 WT1 H ATOM 8311 OH2 TIP3 1825 37.209 15.089 27.154 1.00 0.00 WT1 O ATOM 8312 H1 TIP3 1825 38.039 14.956 27.611 1.00 0.00 WT1 H ATOM 8313 H2 TIP3 1825 37.054 16.032 27.208 1.00 0.00 WT1 H ATOM 8314 OH2 TIP3 1826 53.484 71.902 -0.547 1.00 0.00 WT1 O ATOM 8315 H1 TIP3 1826 54.241 71.732 0.015 1.00 0.00 WT1 H ATOM 8316 H2 TIP3 1826 52.775 71.392 -0.155 1.00 0.00 WT1 H ATOM 8317 OH2 TIP3 1827 63.126 95.823 -18.869 1.00 0.00 WT1 O ATOM 8318 H1 TIP3 1827 62.295 95.685 -18.414 1.00 0.00 WT1 H ATOM 8319 H2 TIP3 1827 63.699 96.214 -18.210 1.00 0.00 WT1 H ATOM 8320 OH2 TIP3 1828 63.321 34.823 47.240 1.00 0.00 WT1 O ATOM 8321 H1 TIP3 1828 63.253 35.435 46.507 1.00 0.00 WT1 H ATOM 8322 H2 TIP3 1828 62.695 34.130 47.032 1.00 0.00 WT1 H ATOM 8323 OH2 TIP3 1829 27.007 67.142 31.485 1.00 0.00 WT1 O ATOM 8324 H1 TIP3 1829 27.901 67.249 31.809 1.00 0.00 WT1 H ATOM 8325 H2 TIP3 1829 26.722 68.030 31.270 1.00 0.00 WT1 H ATOM 8326 OH2 TIP3 1830 82.545 21.706 59.930 1.00 0.00 WT1 O ATOM 8327 H1 TIP3 1830 83.288 22.246 59.660 1.00 0.00 WT1 H ATOM 8328 H2 TIP3 1830 82.602 20.927 59.376 1.00 0.00 WT1 H ATOM 8329 OH2 TIP3 1831 68.629 64.863 63.167 1.00 0.00 WT1 O ATOM 8330 H1 TIP3 1831 68.057 65.521 63.562 1.00 0.00 WT1 H ATOM 8331 H2 TIP3 1831 69.448 64.931 63.657 1.00 0.00 WT1 H ATOM 8332 OH2 TIP3 1832 61.256 94.350 61.742 1.00 0.00 WT1 O ATOM 8333 H1 TIP3 1832 60.899 93.482 61.554 1.00 0.00 WT1 H ATOM 8334 H2 TIP3 1832 61.232 94.806 60.900 1.00 0.00 WT1 H ATOM 8335 OH2 TIP3 1833 29.509 66.939 33.049 1.00 0.00 WT1 O ATOM 8336 H1 TIP3 1833 30.113 67.412 32.477 1.00 0.00 WT1 H ATOM 8337 H2 TIP3 1833 30.001 66.169 33.334 1.00 0.00 WT1 H ATOM 8338 OH2 TIP3 1834 44.455 37.078 18.074 1.00 0.00 WT1 O ATOM 8339 H1 TIP3 1834 45.211 36.564 17.794 1.00 0.00 WT1 H ATOM 8340 H2 TIP3 1834 43.711 36.484 17.979 1.00 0.00 WT1 H ATOM 8341 OH2 TIP3 1835 66.755 18.963 61.123 1.00 0.00 WT1 O ATOM 8342 H1 TIP3 1835 66.015 18.678 61.660 1.00 0.00 WT1 H ATOM 8343 H2 TIP3 1835 67.479 19.056 61.742 1.00 0.00 WT1 H ATOM 8344 OH2 TIP3 1836 88.107 2.931 -1.336 1.00 0.00 WT1 O ATOM 8345 H1 TIP3 1836 88.656 3.268 -0.627 1.00 0.00 WT1 H ATOM 8346 H2 TIP3 1836 88.192 1.979 -1.273 1.00 0.00 WT1 H ATOM 8347 OH2 TIP3 1837 32.453 22.583 39.332 1.00 0.00 WT1 O ATOM 8348 H1 TIP3 1837 31.734 22.297 38.769 1.00 0.00 WT1 H ATOM 8349 H2 TIP3 1837 33.231 22.523 38.777 1.00 0.00 WT1 H ATOM 8350 OH2 TIP3 1838 45.968 27.726 62.837 1.00 0.00 WT1 O ATOM 8351 H1 TIP3 1838 45.352 28.097 62.206 1.00 0.00 WT1 H ATOM 8352 H2 TIP3 1838 46.792 28.182 62.665 1.00 0.00 WT1 H ATOM 8353 OH2 TIP3 1839 21.483 3.859 -7.127 1.00 0.00 WT1 O ATOM 8354 H1 TIP3 1839 22.267 3.719 -7.658 1.00 0.00 WT1 H ATOM 8355 H2 TIP3 1839 21.397 4.811 -7.073 1.00 0.00 WT1 H ATOM 8356 OH2 TIP3 1841 51.796 94.259 33.973 1.00 0.00 WT1 O ATOM 8357 H1 TIP3 1841 51.740 93.601 33.280 1.00 0.00 WT1 H ATOM 8358 H2 TIP3 1841 51.446 95.056 33.576 1.00 0.00 WT1 H ATOM 8359 OH2 TIP3 1842 20.308 0.148 17.074 1.00 0.00 WT1 O ATOM 8360 H1 TIP3 1842 19.660 -0.403 16.634 1.00 0.00 WT1 H ATOM 8361 H2 TIP3 1842 20.848 0.496 16.365 1.00 0.00 WT1 H ATOM 8362 OH2 TIP3 1843 38.695 52.185 50.867 1.00 0.00 WT1 O ATOM 8363 H1 TIP3 1843 39.477 52.537 50.442 1.00 0.00 WT1 H ATOM 8364 H2 TIP3 1843 37.995 52.790 50.621 1.00 0.00 WT1 H ATOM 8365 OH2 TIP3 1844 40.605 31.352 52.319 1.00 0.00 WT1 O ATOM 8366 H1 TIP3 1844 41.300 30.695 52.287 1.00 0.00 WT1 H ATOM 8367 H2 TIP3 1844 40.858 32.001 51.663 1.00 0.00 WT1 H ATOM 8368 OH2 TIP3 1845 82.918 66.498 16.703 1.00 0.00 WT1 O ATOM 8369 H1 TIP3 1845 82.543 66.937 17.467 1.00 0.00 WT1 H ATOM 8370 H2 TIP3 1845 82.194 66.443 16.079 1.00 0.00 WT1 H ATOM 8371 OH2 TIP3 1846 81.013 27.597 47.511 1.00 0.00 WT1 O ATOM 8372 H1 TIP3 1846 80.177 27.144 47.622 1.00 0.00 WT1 H ATOM 8373 H2 TIP3 1846 81.333 27.304 46.658 1.00 0.00 WT1 H ATOM 8374 OH2 TIP3 1847 55.448 18.399 30.201 1.00 0.00 WT1 O ATOM 8375 H1 TIP3 1847 56.395 18.331 30.079 1.00 0.00 WT1 H ATOM 8376 H2 TIP3 1847 55.143 17.492 30.224 1.00 0.00 WT1 H ATOM 8377 OH2 TIP3 1848 75.969 73.946 11.248 1.00 0.00 WT1 O ATOM 8378 H1 TIP3 1848 76.007 74.847 11.567 1.00 0.00 WT1 H ATOM 8379 H2 TIP3 1848 75.058 73.683 11.381 1.00 0.00 WT1 H ATOM 8380 OH2 TIP3 1850 29.421 85.648 33.620 1.00 0.00 WT1 O ATOM 8381 H1 TIP3 1850 29.852 86.503 33.644 1.00 0.00 WT1 H ATOM 8382 H2 TIP3 1850 30.121 85.032 33.406 1.00 0.00 WT1 H ATOM 8383 OH2 TIP3 1851 37.193 96.685 50.868 1.00 0.00 WT1 O ATOM 8384 H1 TIP3 1851 37.484 97.500 50.459 1.00 0.00 WT1 H ATOM 8385 H2 TIP3 1851 37.108 96.068 50.141 1.00 0.00 WT1 H ATOM 8386 OH2 TIP3 1852 41.901 39.267 0.510 1.00 0.00 WT1 O ATOM 8387 H1 TIP3 1852 42.529 39.984 0.597 1.00 0.00 WT1 H ATOM 8388 H2 TIP3 1852 42.386 38.489 0.787 1.00 0.00 WT1 H ATOM 8389 OH2 TIP3 1853 59.741 32.135 -1.097 1.00 0.00 WT1 O ATOM 8390 H1 TIP3 1853 60.387 31.479 -1.360 1.00 0.00 WT1 H ATOM 8391 H2 TIP3 1853 60.228 32.744 -0.543 1.00 0.00 WT1 H ATOM 8392 OH2 TIP3 1854 75.814 56.512 -4.416 1.00 0.00 WT1 O ATOM 8393 H1 TIP3 1854 76.243 56.901 -5.178 1.00 0.00 WT1 H ATOM 8394 H2 TIP3 1854 75.086 56.009 -4.782 1.00 0.00 WT1 H ATOM 8395 OH2 TIP3 1855 43.823 63.428 -3.961 1.00 0.00 WT1 O ATOM 8396 H1 TIP3 1855 42.878 63.272 -3.973 1.00 0.00 WT1 H ATOM 8397 H2 TIP3 1855 44.080 63.272 -3.052 1.00 0.00 WT1 H ATOM 8398 OH2 TIP3 1856 27.033 50.899 32.480 1.00 0.00 WT1 O ATOM 8399 H1 TIP3 1856 27.820 50.579 32.923 1.00 0.00 WT1 H ATOM 8400 H2 TIP3 1856 27.263 50.896 31.551 1.00 0.00 WT1 H ATOM 8401 OH2 TIP3 1858 59.213 90.041 62.887 1.00 0.00 WT1 O ATOM 8402 H1 TIP3 1858 59.835 90.745 63.072 1.00 0.00 WT1 H ATOM 8403 H2 TIP3 1858 59.749 89.247 62.865 1.00 0.00 WT1 H ATOM 8404 OH2 TIP3 1859 57.984 0.267 54.525 1.00 0.00 WT1 O ATOM 8405 H1 TIP3 1859 58.932 0.394 54.487 1.00 0.00 WT1 H ATOM 8406 H2 TIP3 1859 57.858 -0.661 54.326 1.00 0.00 WT1 H ATOM 8407 OH2 TIP3 1860 43.663 54.107 3.521 1.00 0.00 WT1 O ATOM 8408 H1 TIP3 1860 44.510 54.543 3.607 1.00 0.00 WT1 H ATOM 8409 H2 TIP3 1860 43.501 53.723 4.383 1.00 0.00 WT1 H ATOM 8410 OH2 TIP3 1861 21.232 49.122 4.438 1.00 0.00 WT1 O ATOM 8411 H1 TIP3 1861 21.572 49.611 5.188 1.00 0.00 WT1 H ATOM 8412 H2 TIP3 1861 21.485 49.643 3.677 1.00 0.00 WT1 H ATOM 8413 OH2 TIP3 1862 86.659 63.998 -16.466 1.00 0.00 WT1 O ATOM 8414 H1 TIP3 1862 87.376 64.038 -15.834 1.00 0.00 WT1 H ATOM 8415 H2 TIP3 1862 85.987 64.575 -16.103 1.00 0.00 WT1 H ATOM 8416 OH2 TIP3 1863 51.610 0.773 63.661 1.00 0.00 WT1 O ATOM 8417 H1 TIP3 1863 52.050 0.799 62.812 1.00 0.00 WT1 H ATOM 8418 H2 TIP3 1863 50.705 0.541 63.456 1.00 0.00 WT1 H ATOM 8419 OH2 TIP3 1864 65.961 20.955 56.884 1.00 0.00 WT1 O ATOM 8420 H1 TIP3 1864 66.765 21.229 57.326 1.00 0.00 WT1 H ATOM 8421 H2 TIP3 1864 65.504 20.418 57.531 1.00 0.00 WT1 H ATOM 8422 OH2 TIP3 1866 38.268 34.134 23.130 1.00 0.00 WT1 O ATOM 8423 H1 TIP3 1866 37.995 34.787 22.486 1.00 0.00 WT1 H ATOM 8424 H2 TIP3 1866 39.142 34.415 23.401 1.00 0.00 WT1 H ATOM 8425 OH2 TIP3 1867 27.841 77.779 49.070 1.00 0.00 WT1 O ATOM 8426 H1 TIP3 1867 28.037 78.677 48.801 1.00 0.00 WT1 H ATOM 8427 H2 TIP3 1867 27.757 77.295 48.249 1.00 0.00 WT1 H ATOM 8428 OH2 TIP3 1868 75.909 9.240 62.667 1.00 0.00 WT1 O ATOM 8429 H1 TIP3 1868 75.132 9.511 63.156 1.00 0.00 WT1 H ATOM 8430 H2 TIP3 1868 75.676 9.382 61.749 1.00 0.00 WT1 H ATOM 8431 OH2 TIP3 1869 26.890 57.803 10.054 1.00 0.00 WT1 O ATOM 8432 H1 TIP3 1869 27.564 57.821 9.375 1.00 0.00 WT1 H ATOM 8433 H2 TIP3 1869 27.125 58.519 10.644 1.00 0.00 WT1 H ATOM 8434 OH2 TIP3 1870 56.612 96.008 -15.457 1.00 0.00 WT1 O ATOM 8435 H1 TIP3 1870 55.695 95.732 -15.467 1.00 0.00 WT1 H ATOM 8436 H2 TIP3 1870 57.105 95.197 -15.335 1.00 0.00 WT1 H ATOM 8437 OH2 TIP3 1871 51.256 92.042 28.813 1.00 0.00 WT1 O ATOM 8438 H1 TIP3 1871 52.067 92.479 28.552 1.00 0.00 WT1 H ATOM 8439 H2 TIP3 1871 50.693 92.100 28.041 1.00 0.00 WT1 H ATOM 8440 OH2 TIP3 1872 82.502 82.790 49.087 1.00 0.00 WT1 O ATOM 8441 H1 TIP3 1872 81.798 83.076 48.506 1.00 0.00 WT1 H ATOM 8442 H2 TIP3 1872 83.247 82.640 48.506 1.00 0.00 WT1 H ATOM 8443 OH2 TIP3 1873 86.975 76.096 -17.608 1.00 0.00 WT1 O ATOM 8444 H1 TIP3 1873 86.516 75.491 -17.025 1.00 0.00 WT1 H ATOM 8445 H2 TIP3 1873 87.150 75.582 -18.396 1.00 0.00 WT1 H ATOM 8446 OH2 TIP3 1874 46.806 83.844 -13.885 1.00 0.00 WT1 O ATOM 8447 H1 TIP3 1874 46.522 83.198 -13.238 1.00 0.00 WT1 H ATOM 8448 H2 TIP3 1874 46.341 84.645 -13.644 1.00 0.00 WT1 H ATOM 8449 OH2 TIP3 1875 83.641 0.894 51.239 1.00 0.00 WT1 O ATOM 8450 H1 TIP3 1875 83.787 1.723 50.783 1.00 0.00 WT1 H ATOM 8451 H2 TIP3 1875 83.717 1.115 52.167 1.00 0.00 WT1 H ATOM 8452 OH2 TIP3 1876 42.927 85.659 8.693 1.00 0.00 WT1 O ATOM 8453 H1 TIP3 1876 43.665 85.536 8.096 1.00 0.00 WT1 H ATOM 8454 H2 TIP3 1876 42.451 84.830 8.661 1.00 0.00 WT1 H ATOM 8455 OH2 TIP3 1877 40.698 27.634 25.968 1.00 0.00 WT1 O ATOM 8456 H1 TIP3 1877 39.936 27.151 25.646 1.00 0.00 WT1 H ATOM 8457 H2 TIP3 1877 40.402 28.029 26.788 1.00 0.00 WT1 H ATOM 8458 OH2 TIP3 1878 44.235 74.786 -1.322 1.00 0.00 WT1 O ATOM 8459 H1 TIP3 1878 43.479 74.208 -1.220 1.00 0.00 WT1 H ATOM 8460 H2 TIP3 1878 44.974 74.276 -0.991 1.00 0.00 WT1 H ATOM 8461 OH2 TIP3 1879 71.795 89.402 53.236 1.00 0.00 WT1 O ATOM 8462 H1 TIP3 1879 71.015 88.943 53.545 1.00 0.00 WT1 H ATOM 8463 H2 TIP3 1879 71.884 89.137 52.321 1.00 0.00 WT1 H ATOM 8464 OH2 TIP3 1880 59.083 29.793 65.195 1.00 0.00 WT1 O ATOM 8465 H1 TIP3 1880 58.599 30.604 65.351 1.00 0.00 WT1 H ATOM 8466 H2 TIP3 1880 59.236 29.783 64.250 1.00 0.00 WT1 H ATOM 8467 OH2 TIP3 1881 22.073 40.857 56.912 1.00 0.00 WT1 O ATOM 8468 H1 TIP3 1881 22.761 41.252 56.377 1.00 0.00 WT1 H ATOM 8469 H2 TIP3 1881 21.830 40.060 56.441 1.00 0.00 WT1 H ATOM 8470 OH2 TIP3 1882 66.662 19.560 -12.829 1.00 0.00 WT1 O ATOM 8471 H1 TIP3 1882 65.770 19.625 -13.172 1.00 0.00 WT1 H ATOM 8472 H2 TIP3 1882 66.569 19.713 -11.889 1.00 0.00 WT1 H ATOM 8473 OH2 TIP3 1883 75.805 29.923 4.540 1.00 0.00 WT1 O ATOM 8474 H1 TIP3 1883 76.317 30.697 4.305 1.00 0.00 WT1 H ATOM 8475 H2 TIP3 1883 75.736 29.962 5.494 1.00 0.00 WT1 H ATOM 8476 OH2 TIP3 1884 26.514 68.948 5.682 1.00 0.00 WT1 O ATOM 8477 H1 TIP3 1884 26.236 69.807 6.003 1.00 0.00 WT1 H ATOM 8478 H2 TIP3 1884 27.417 69.080 5.395 1.00 0.00 WT1 H ATOM 8479 OH2 TIP3 1885 55.002 1.826 14.805 1.00 0.00 WT1 O ATOM 8480 H1 TIP3 1885 54.344 2.318 15.296 1.00 0.00 WT1 H ATOM 8481 H2 TIP3 1885 55.837 2.208 15.074 1.00 0.00 WT1 H ATOM 8482 OH2 TIP3 1886 32.553 20.204 25.355 1.00 0.00 WT1 O ATOM 8483 H1 TIP3 1886 32.447 21.130 25.136 1.00 0.00 WT1 H ATOM 8484 H2 TIP3 1886 32.727 19.778 24.515 1.00 0.00 WT1 H ATOM 8485 OH2 TIP3 1887 24.527 3.568 57.739 1.00 0.00 WT1 O ATOM 8486 H1 TIP3 1887 24.373 4.513 57.745 1.00 0.00 WT1 H ATOM 8487 H2 TIP3 1887 25.240 3.446 57.112 1.00 0.00 WT1 H ATOM 8488 OH2 TIP3 1888 78.477 35.919 17.253 1.00 0.00 WT1 O ATOM 8489 H1 TIP3 1888 77.546 35.708 17.333 1.00 0.00 WT1 H ATOM 8490 H2 TIP3 1888 78.927 35.180 17.662 1.00 0.00 WT1 H ATOM 8491 OH2 TIP3 1889 82.749 95.671 49.031 1.00 0.00 WT1 O ATOM 8492 H1 TIP3 1889 82.498 95.238 49.847 1.00 0.00 WT1 H ATOM 8493 H2 TIP3 1889 83.026 96.547 49.299 1.00 0.00 WT1 H ATOM 8494 OH2 TIP3 1890 71.095 93.760 38.400 1.00 0.00 WT1 O ATOM 8495 H1 TIP3 1890 70.823 93.844 39.314 1.00 0.00 WT1 H ATOM 8496 H2 TIP3 1890 71.684 93.005 38.393 1.00 0.00 WT1 H ATOM 8497 OH2 TIP3 1891 51.536 34.862 -7.238 1.00 0.00 WT1 O ATOM 8498 H1 TIP3 1891 51.026 35.018 -8.033 1.00 0.00 WT1 H ATOM 8499 H2 TIP3 1891 52.247 35.501 -7.279 1.00 0.00 WT1 H ATOM 8500 OH2 TIP3 1892 39.530 25.446 64.229 1.00 0.00 WT1 O ATOM 8501 H1 TIP3 1892 38.785 25.055 64.686 1.00 0.00 WT1 H ATOM 8502 H2 TIP3 1892 40.083 25.796 64.927 1.00 0.00 WT1 H ATOM 8503 OH2 TIP3 1893 34.444 24.650 66.744 1.00 0.00 WT1 O ATOM 8504 H1 TIP3 1893 33.699 24.092 66.969 1.00 0.00 WT1 H ATOM 8505 H2 TIP3 1893 35.180 24.274 67.227 1.00 0.00 WT1 H ATOM 8506 OH2 TIP3 1894 59.512 19.987 -16.341 1.00 0.00 WT1 O ATOM 8507 H1 TIP3 1894 59.225 19.359 -17.004 1.00 0.00 WT1 H ATOM 8508 H2 TIP3 1894 60.464 20.017 -16.436 1.00 0.00 WT1 H ATOM 8509 OH2 TIP3 1895 83.079 23.858 -14.746 1.00 0.00 WT1 O ATOM 8510 H1 TIP3 1895 83.042 24.554 -14.090 1.00 0.00 WT1 H ATOM 8511 H2 TIP3 1895 83.178 24.320 -15.579 1.00 0.00 WT1 H ATOM 8512 OH2 TIP3 1896 49.708 80.661 14.527 1.00 0.00 WT1 O ATOM 8513 H1 TIP3 1896 49.024 79.999 14.624 1.00 0.00 WT1 H ATOM 8514 H2 TIP3 1896 49.402 81.402 15.051 1.00 0.00 WT1 H ATOM 8515 OH2 TIP3 1897 54.096 88.583 -9.861 1.00 0.00 WT1 O ATOM 8516 H1 TIP3 1897 53.690 87.936 -10.438 1.00 0.00 WT1 H ATOM 8517 H2 TIP3 1897 54.791 88.102 -9.413 1.00 0.00 WT1 H ATOM 8518 OH2 TIP3 1898 37.504 26.677 27.750 1.00 0.00 WT1 O ATOM 8519 H1 TIP3 1898 36.945 26.131 28.302 1.00 0.00 WT1 H ATOM 8520 H2 TIP3 1898 37.112 27.549 27.798 1.00 0.00 WT1 H ATOM 8521 OH2 TIP3 1899 75.370 75.587 23.076 1.00 0.00 WT1 O ATOM 8522 H1 TIP3 1899 75.590 74.677 22.873 1.00 0.00 WT1 H ATOM 8523 H2 TIP3 1899 75.588 75.685 24.003 1.00 0.00 WT1 H ATOM 8524 OH2 TIP3 1900 41.080 95.509 11.455 1.00 0.00 WT1 O ATOM 8525 H1 TIP3 1900 41.839 95.948 11.070 1.00 0.00 WT1 H ATOM 8526 H2 TIP3 1900 41.406 94.646 11.710 1.00 0.00 WT1 H ATOM 8527 OH2 TIP3 1901 29.611 26.256 26.643 1.00 0.00 WT1 O ATOM 8528 H1 TIP3 1901 29.948 25.378 26.820 1.00 0.00 WT1 H ATOM 8529 H2 TIP3 1901 29.990 26.802 27.332 1.00 0.00 WT1 H ATOM 8530 OH2 TIP3 1902 37.973 33.615 -12.282 1.00 0.00 WT1 O ATOM 8531 H1 TIP3 1902 38.051 34.567 -12.214 1.00 0.00 WT1 H ATOM 8532 H2 TIP3 1902 37.081 33.470 -12.597 1.00 0.00 WT1 H ATOM 8533 OH2 TIP3 1903 46.526 82.502 31.529 1.00 0.00 WT1 O ATOM 8534 H1 TIP3 1903 45.598 82.698 31.396 1.00 0.00 WT1 H ATOM 8535 H2 TIP3 1903 46.766 81.958 30.779 1.00 0.00 WT1 H ATOM 8536 OH2 TIP3 1904 66.822 86.412 37.743 1.00 0.00 WT1 O ATOM 8537 H1 TIP3 1904 65.944 86.432 38.122 1.00 0.00 WT1 H ATOM 8538 H2 TIP3 1904 66.798 85.687 37.118 1.00 0.00 WT1 H ATOM 8539 OH2 TIP3 1905 57.989 67.624 -7.831 1.00 0.00 WT1 O ATOM 8540 H1 TIP3 1905 57.727 67.137 -7.050 1.00 0.00 WT1 H ATOM 8541 H2 TIP3 1905 57.394 68.373 -7.858 1.00 0.00 WT1 H ATOM 8542 OH2 TIP3 1906 64.587 73.782 20.972 1.00 0.00 WT1 O ATOM 8543 H1 TIP3 1906 64.237 73.539 20.115 1.00 0.00 WT1 H ATOM 8544 H2 TIP3 1906 63.826 74.087 21.465 1.00 0.00 WT1 H ATOM 8545 OH2 TIP3 1907 36.562 15.337 39.587 1.00 0.00 WT1 O ATOM 8546 H1 TIP3 1907 35.673 14.982 39.572 1.00 0.00 WT1 H ATOM 8547 H2 TIP3 1907 36.488 16.147 40.093 1.00 0.00 WT1 H ATOM 8548 OH2 TIP3 1908 44.170 19.782 29.526 1.00 0.00 WT1 O ATOM 8549 H1 TIP3 1908 43.302 19.387 29.446 1.00 0.00 WT1 H ATOM 8550 H2 TIP3 1908 44.696 19.346 28.856 1.00 0.00 WT1 H ATOM 8551 OH2 TIP3 1909 74.367 1.674 59.614 1.00 0.00 WT1 O ATOM 8552 H1 TIP3 1909 73.634 1.727 60.228 1.00 0.00 WT1 H ATOM 8553 H2 TIP3 1909 74.211 0.867 59.124 1.00 0.00 WT1 H ATOM 8554 OH2 TIP3 1910 82.672 64.720 37.779 1.00 0.00 WT1 O ATOM 8555 H1 TIP3 1910 82.681 65.255 38.573 1.00 0.00 WT1 H ATOM 8556 H2 TIP3 1910 82.017 64.044 37.952 1.00 0.00 WT1 H ATOM 8557 OH2 TIP3 1911 32.347 23.294 18.842 1.00 0.00 WT1 O ATOM 8558 H1 TIP3 1911 31.714 24.012 18.838 1.00 0.00 WT1 H ATOM 8559 H2 TIP3 1911 33.199 23.725 18.771 1.00 0.00 WT1 H ATOM 8560 OH2 TIP3 1912 61.803 50.410 61.901 1.00 0.00 WT1 O ATOM 8561 H1 TIP3 1912 60.984 50.230 61.439 1.00 0.00 WT1 H ATOM 8562 H2 TIP3 1912 61.606 51.169 62.451 1.00 0.00 WT1 H ATOM 8563 OH2 TIP3 1913 66.696 30.607 53.026 1.00 0.00 WT1 O ATOM 8564 H1 TIP3 1913 67.269 31.366 53.137 1.00 0.00 WT1 H ATOM 8565 H2 TIP3 1913 66.459 30.353 53.917 1.00 0.00 WT1 H ATOM 8566 OH2 TIP3 1914 79.128 84.773 10.731 1.00 0.00 WT1 O ATOM 8567 H1 TIP3 1914 78.280 84.820 10.290 1.00 0.00 WT1 H ATOM 8568 H2 TIP3 1914 79.753 84.591 10.029 1.00 0.00 WT1 H ATOM 8569 OH2 TIP3 1915 40.801 76.001 23.164 1.00 0.00 WT1 O ATOM 8570 H1 TIP3 1915 41.114 75.852 24.056 1.00 0.00 WT1 H ATOM 8571 H2 TIP3 1915 41.191 75.293 22.651 1.00 0.00 WT1 H ATOM 8572 OH2 TIP3 1916 88.465 61.399 48.788 1.00 0.00 WT1 O ATOM 8573 H1 TIP3 1916 89.063 61.934 49.310 1.00 0.00 WT1 H ATOM 8574 H2 TIP3 1916 88.077 60.791 49.418 1.00 0.00 WT1 H ATOM 8575 OH2 TIP3 1917 22.406 78.271 -12.136 1.00 0.00 WT1 O ATOM 8576 H1 TIP3 1917 22.693 78.156 -11.230 1.00 0.00 WT1 H ATOM 8577 H2 TIP3 1917 23.217 78.387 -12.631 1.00 0.00 WT1 H ATOM 8578 OH2 TIP3 1918 25.013 20.822 49.728 1.00 0.00 WT1 O ATOM 8579 H1 TIP3 1918 25.840 21.304 49.740 1.00 0.00 WT1 H ATOM 8580 H2 TIP3 1918 24.608 21.063 48.895 1.00 0.00 WT1 H ATOM 8581 OH2 TIP3 1919 36.867 44.359 13.339 1.00 0.00 WT1 O ATOM 8582 H1 TIP3 1919 37.259 45.164 13.001 1.00 0.00 WT1 H ATOM 8583 H2 TIP3 1919 37.374 43.656 12.932 1.00 0.00 WT1 H ATOM 8584 OH2 TIP3 1920 78.332 48.760 34.982 1.00 0.00 WT1 O ATOM 8585 H1 TIP3 1920 78.894 48.776 35.756 1.00 0.00 WT1 H ATOM 8586 H2 TIP3 1920 78.000 49.655 34.909 1.00 0.00 WT1 H ATOM 8587 OH2 TIP3 1921 22.165 54.044 3.876 1.00 0.00 WT1 O ATOM 8588 H1 TIP3 1921 22.910 54.562 4.181 1.00 0.00 WT1 H ATOM 8589 H2 TIP3 1921 22.560 53.315 3.399 1.00 0.00 WT1 H ATOM 8590 OH2 TIP3 1922 87.145 65.962 25.560 1.00 0.00 WT1 O ATOM 8591 H1 TIP3 1922 86.975 65.750 26.478 1.00 0.00 WT1 H ATOM 8592 H2 TIP3 1922 87.969 65.518 25.359 1.00 0.00 WT1 H ATOM 8593 OH2 TIP3 1923 66.324 29.033 -10.705 1.00 0.00 WT1 O ATOM 8594 H1 TIP3 1923 67.240 28.782 -10.590 1.00 0.00 WT1 H ATOM 8595 H2 TIP3 1923 66.258 29.895 -10.294 1.00 0.00 WT1 H ATOM 8596 OH2 TIP3 1924 43.452 38.037 9.126 1.00 0.00 WT1 O ATOM 8597 H1 TIP3 1924 44.176 38.333 9.677 1.00 0.00 WT1 H ATOM 8598 H2 TIP3 1924 42.974 37.413 9.672 1.00 0.00 WT1 H ATOM 8599 OH2 TIP3 1925 84.531 67.793 57.932 1.00 0.00 WT1 O ATOM 8600 H1 TIP3 1925 84.211 66.948 57.615 1.00 0.00 WT1 H ATOM 8601 H2 TIP3 1925 85.008 68.163 57.189 1.00 0.00 WT1 H ATOM 8602 OH2 TIP3 1926 87.463 88.933 11.215 1.00 0.00 WT1 O ATOM 8603 H1 TIP3 1926 86.997 89.090 12.036 1.00 0.00 WT1 H ATOM 8604 H2 TIP3 1926 88.383 88.862 11.471 1.00 0.00 WT1 H ATOM 8605 OH2 TIP3 1927 49.103 41.112 54.510 1.00 0.00 WT1 O ATOM 8606 H1 TIP3 1927 48.744 41.521 55.297 1.00 0.00 WT1 H ATOM 8607 H2 TIP3 1927 48.657 41.552 53.786 1.00 0.00 WT1 H ATOM 8608 OH2 TIP3 1928 49.856 8.337 -16.704 1.00 0.00 WT1 O ATOM 8609 H1 TIP3 1928 50.318 9.077 -17.097 1.00 0.00 WT1 H ATOM 8610 H2 TIP3 1928 50.438 8.034 -16.007 1.00 0.00 WT1 H ATOM 8611 OH2 TIP3 1929 37.695 40.348 0.299 1.00 0.00 WT1 O ATOM 8612 H1 TIP3 1929 37.535 41.274 0.120 1.00 0.00 WT1 H ATOM 8613 H2 TIP3 1929 37.961 39.983 -0.545 1.00 0.00 WT1 H ATOM 8614 OH2 TIP3 1930 59.943 13.651 44.858 1.00 0.00 WT1 O ATOM 8615 H1 TIP3 1930 59.557 13.962 44.040 1.00 0.00 WT1 H ATOM 8616 H2 TIP3 1930 60.600 14.311 45.081 1.00 0.00 WT1 H ATOM 8617 OH2 TIP3 1931 43.187 39.288 12.480 1.00 0.00 WT1 O ATOM 8618 H1 TIP3 1931 43.931 38.694 12.585 1.00 0.00 WT1 H ATOM 8619 H2 TIP3 1931 42.892 39.463 13.373 1.00 0.00 WT1 H ATOM 8620 OH2 TIP3 1932 35.156 63.626 -8.900 1.00 0.00 WT1 O ATOM 8621 H1 TIP3 1932 34.286 63.261 -8.738 1.00 0.00 WT1 H ATOM 8622 H2 TIP3 1932 35.554 63.027 -9.532 1.00 0.00 WT1 H ATOM 8623 OH2 TIP3 1934 20.344 27.879 22.230 1.00 0.00 WT1 O ATOM 8624 H1 TIP3 1934 20.063 27.588 21.362 1.00 0.00 WT1 H ATOM 8625 H2 TIP3 1934 20.249 28.831 22.206 1.00 0.00 WT1 H ATOM 8626 OH2 TIP3 1935 28.089 44.285 -6.350 1.00 0.00 WT1 O ATOM 8627 H1 TIP3 1935 27.376 43.857 -5.876 1.00 0.00 WT1 H ATOM 8628 H2 TIP3 1935 27.917 45.221 -6.250 1.00 0.00 WT1 H ATOM 8629 OH2 TIP3 1936 75.977 45.752 18.965 1.00 0.00 WT1 O ATOM 8630 H1 TIP3 1936 75.094 45.389 18.892 1.00 0.00 WT1 H ATOM 8631 H2 TIP3 1936 76.543 44.987 19.069 1.00 0.00 WT1 H ATOM 8632 OH2 TIP3 1937 61.725 27.143 32.092 1.00 0.00 WT1 O ATOM 8633 H1 TIP3 1937 61.668 27.743 31.349 1.00 0.00 WT1 H ATOM 8634 H2 TIP3 1937 62.353 27.555 32.685 1.00 0.00 WT1 H ATOM 8635 OH2 TIP3 1938 63.808 94.514 11.115 1.00 0.00 WT1 O ATOM 8636 H1 TIP3 1938 63.781 94.445 12.070 1.00 0.00 WT1 H ATOM 8637 H2 TIP3 1938 63.589 93.636 10.805 1.00 0.00 WT1 H ATOM 8638 OH2 TIP3 1939 28.703 49.800 -4.334 1.00 0.00 WT1 O ATOM 8639 H1 TIP3 1939 28.473 50.424 -3.646 1.00 0.00 WT1 H ATOM 8640 H2 TIP3 1939 28.290 48.980 -4.062 1.00 0.00 WT1 H ATOM 8641 OH2 TIP3 1940 22.958 90.263 -3.087 1.00 0.00 WT1 O ATOM 8642 H1 TIP3 1940 22.350 90.450 -2.372 1.00 0.00 WT1 H ATOM 8643 H2 TIP3 1940 23.514 89.560 -2.751 1.00 0.00 WT1 H ATOM 8644 OH2 TIP3 1941 47.326 93.217 24.275 1.00 0.00 WT1 O ATOM 8645 H1 TIP3 1941 46.451 93.310 23.900 1.00 0.00 WT1 H ATOM 8646 H2 TIP3 1941 47.824 92.743 23.608 1.00 0.00 WT1 H ATOM 8647 OH2 TIP3 1942 49.172 40.686 23.376 1.00 0.00 WT1 O ATOM 8648 H1 TIP3 1942 49.880 41.244 23.697 1.00 0.00 WT1 H ATOM 8649 H2 TIP3 1942 49.134 40.864 22.436 1.00 0.00 WT1 H ATOM 8650 OH2 TIP3 1943 59.749 17.827 17.062 1.00 0.00 WT1 O ATOM 8651 H1 TIP3 1943 59.241 18.533 17.464 1.00 0.00 WT1 H ATOM 8652 H2 TIP3 1943 60.656 18.130 17.105 1.00 0.00 WT1 H ATOM 8653 OH2 TIP3 1944 87.210 81.146 42.554 1.00 0.00 WT1 O ATOM 8654 H1 TIP3 1944 87.775 80.783 41.872 1.00 0.00 WT1 H ATOM 8655 H2 TIP3 1944 86.352 80.757 42.387 1.00 0.00 WT1 H ATOM 8656 OH2 TIP3 1945 31.514 63.877 54.501 1.00 0.00 WT1 O ATOM 8657 H1 TIP3 1945 31.388 63.422 53.668 1.00 0.00 WT1 H ATOM 8658 H2 TIP3 1945 31.778 63.190 55.112 1.00 0.00 WT1 H ATOM 8659 OH2 TIP3 1946 86.268 48.336 28.247 1.00 0.00 WT1 O ATOM 8660 H1 TIP3 1946 86.468 49.249 28.038 1.00 0.00 WT1 H ATOM 8661 H2 TIP3 1946 85.552 48.387 28.881 1.00 0.00 WT1 H ATOM 8662 OH2 TIP3 1947 34.291 71.619 14.065 1.00 0.00 WT1 O ATOM 8663 H1 TIP3 1947 35.075 71.970 14.487 1.00 0.00 WT1 H ATOM 8664 H2 TIP3 1947 34.157 70.767 14.479 1.00 0.00 WT1 H ATOM 8665 OH2 TIP3 1948 58.715 22.801 41.109 1.00 0.00 WT1 O ATOM 8666 H1 TIP3 1948 58.424 22.518 40.243 1.00 0.00 WT1 H ATOM 8667 H2 TIP3 1948 59.135 23.648 40.957 1.00 0.00 WT1 H ATOM 8668 OH2 TIP3 1949 49.491 76.853 49.811 1.00 0.00 WT1 O ATOM 8669 H1 TIP3 1949 50.412 77.015 50.014 1.00 0.00 WT1 H ATOM 8670 H2 TIP3 1949 49.394 77.131 48.900 1.00 0.00 WT1 H ATOM 8671 OH2 TIP3 1950 39.456 26.978 1.943 1.00 0.00 WT1 O ATOM 8672 H1 TIP3 1950 39.646 27.570 1.215 1.00 0.00 WT1 H ATOM 8673 H2 TIP3 1950 40.267 26.954 2.452 1.00 0.00 WT1 H ATOM 8674 OH2 TIP3 1951 56.295 16.361 45.750 1.00 0.00 WT1 O ATOM 8675 H1 TIP3 1951 56.621 15.966 44.941 1.00 0.00 WT1 H ATOM 8676 H2 TIP3 1951 57.019 16.904 46.061 1.00 0.00 WT1 H ATOM 8677 OH2 TIP3 1952 61.066 26.467 4.908 1.00 0.00 WT1 O ATOM 8678 H1 TIP3 1952 61.159 27.342 5.284 1.00 0.00 WT1 H ATOM 8679 H2 TIP3 1952 61.738 26.426 4.227 1.00 0.00 WT1 H ATOM 8680 OH2 TIP3 1953 31.014 31.775 40.401 1.00 0.00 WT1 O ATOM 8681 H1 TIP3 1953 31.284 32.692 40.452 1.00 0.00 WT1 H ATOM 8682 H2 TIP3 1953 30.427 31.655 41.147 1.00 0.00 WT1 H ATOM 8683 OH2 TIP3 1954 79.863 37.405 64.691 1.00 0.00 WT1 O ATOM 8684 H1 TIP3 1954 80.024 38.241 64.254 1.00 0.00 WT1 H ATOM 8685 H2 TIP3 1954 79.353 37.634 65.468 1.00 0.00 WT1 H ATOM 8686 OH2 TIP3 1955 86.785 42.569 10.981 1.00 0.00 WT1 O ATOM 8687 H1 TIP3 1955 87.197 43.247 10.445 1.00 0.00 WT1 H ATOM 8688 H2 TIP3 1955 87.433 42.371 11.657 1.00 0.00 WT1 H ATOM 8689 OH2 TIP3 1956 67.541 7.412 49.965 1.00 0.00 WT1 O ATOM 8690 H1 TIP3 1956 68.090 7.989 49.435 1.00 0.00 WT1 H ATOM 8691 H2 TIP3 1956 66.739 7.305 49.453 1.00 0.00 WT1 H ATOM 8692 OH2 TIP3 1957 41.600 39.115 22.314 1.00 0.00 WT1 O ATOM 8693 H1 TIP3 1957 42.456 39.427 22.608 1.00 0.00 WT1 H ATOM 8694 H2 TIP3 1957 41.799 38.373 21.743 1.00 0.00 WT1 H ATOM 8695 OH2 TIP3 1958 41.412 43.413 38.917 1.00 0.00 WT1 O ATOM 8696 H1 TIP3 1958 42.197 43.093 39.363 1.00 0.00 WT1 H ATOM 8697 H2 TIP3 1958 41.498 44.366 38.935 1.00 0.00 WT1 H ATOM 8698 OH2 TIP3 1959 68.991 81.722 20.447 1.00 0.00 WT1 O ATOM 8699 H1 TIP3 1959 68.497 80.935 20.219 1.00 0.00 WT1 H ATOM 8700 H2 TIP3 1959 68.342 82.426 20.432 1.00 0.00 WT1 H ATOM 8701 OH2 TIP3 1960 58.949 22.011 -9.319 1.00 0.00 WT1 O ATOM 8702 H1 TIP3 1960 58.027 21.883 -9.539 1.00 0.00 WT1 H ATOM 8703 H2 TIP3 1960 59.042 21.633 -8.444 1.00 0.00 WT1 H ATOM 8704 OH2 TIP3 1961 62.267 81.008 -6.388 1.00 0.00 WT1 O ATOM 8705 H1 TIP3 1961 62.762 81.794 -6.159 1.00 0.00 WT1 H ATOM 8706 H2 TIP3 1961 62.679 80.308 -5.881 1.00 0.00 WT1 H ATOM 8707 OH2 TIP3 1962 36.644 67.918 -2.100 1.00 0.00 WT1 O ATOM 8708 H1 TIP3 1962 36.882 67.807 -1.180 1.00 0.00 WT1 H ATOM 8709 H2 TIP3 1962 35.864 67.374 -2.213 1.00 0.00 WT1 H ATOM 8710 OH2 TIP3 1964 55.694 45.620 20.080 1.00 0.00 WT1 O ATOM 8711 H1 TIP3 1964 55.245 46.254 19.521 1.00 0.00 WT1 H ATOM 8712 H2 TIP3 1964 55.421 44.767 19.742 1.00 0.00 WT1 H ATOM 8713 OH2 TIP3 1965 24.183 71.907 -7.157 1.00 0.00 WT1 O ATOM 8714 H1 TIP3 1965 23.455 71.673 -7.733 1.00 0.00 WT1 H ATOM 8715 H2 TIP3 1965 23.794 72.491 -6.505 1.00 0.00 WT1 H ATOM 8716 OH2 TIP3 1966 55.849 17.559 9.448 1.00 0.00 WT1 O ATOM 8717 H1 TIP3 1966 55.837 17.081 10.277 1.00 0.00 WT1 H ATOM 8718 H2 TIP3 1966 55.734 16.884 8.779 1.00 0.00 WT1 H ATOM 8719 OH2 TIP3 1967 36.056 77.642 36.829 1.00 0.00 WT1 O ATOM 8720 H1 TIP3 1967 35.962 78.591 36.911 1.00 0.00 WT1 H ATOM 8721 H2 TIP3 1967 36.062 77.482 35.886 1.00 0.00 WT1 H ATOM 8722 OH2 TIP3 1968 74.917 10.175 -14.154 1.00 0.00 WT1 O ATOM 8723 H1 TIP3 1968 74.410 9.667 -14.787 1.00 0.00 WT1 H ATOM 8724 H2 TIP3 1968 75.807 10.176 -14.506 1.00 0.00 WT1 H ATOM 8725 OH2 TIP3 1969 40.618 13.770 59.422 1.00 0.00 WT1 O ATOM 8726 H1 TIP3 1969 39.854 14.347 59.444 1.00 0.00 WT1 H ATOM 8727 H2 TIP3 1969 40.351 13.000 59.924 1.00 0.00 WT1 H ATOM 8728 OH2 TIP3 1971 88.522 72.260 59.058 1.00 0.00 WT1 O ATOM 8729 H1 TIP3 1971 89.273 71.859 58.620 1.00 0.00 WT1 H ATOM 8730 H2 TIP3 1971 88.237 72.952 58.461 1.00 0.00 WT1 H ATOM 8731 OH2 TIP3 1973 39.447 10.791 -8.256 1.00 0.00 WT1 O ATOM 8732 H1 TIP3 1973 39.830 10.739 -9.131 1.00 0.00 WT1 H ATOM 8733 H2 TIP3 1973 40.200 10.855 -7.668 1.00 0.00 WT1 H ATOM 8734 OH2 TIP3 1974 30.069 88.011 20.935 1.00 0.00 WT1 O ATOM 8735 H1 TIP3 1974 30.267 88.600 21.663 1.00 0.00 WT1 H ATOM 8736 H2 TIP3 1974 30.923 87.690 20.646 1.00 0.00 WT1 H ATOM 8737 OH2 TIP3 1975 51.033 55.071 52.872 1.00 0.00 WT1 O ATOM 8738 H1 TIP3 1975 50.195 55.295 52.468 1.00 0.00 WT1 H ATOM 8739 H2 TIP3 1975 51.411 54.411 52.292 1.00 0.00 WT1 H ATOM 8740 OH2 TIP3 1976 83.949 42.360 53.558 1.00 0.00 WT1 O ATOM 8741 H1 TIP3 1976 84.123 43.109 52.987 1.00 0.00 WT1 H ATOM 8742 H2 TIP3 1976 83.948 42.728 54.442 1.00 0.00 WT1 H ATOM 8743 OH2 TIP3 1977 38.468 83.032 44.515 1.00 0.00 WT1 O ATOM 8744 H1 TIP3 1977 39.273 82.515 44.548 1.00 0.00 WT1 H ATOM 8745 H2 TIP3 1977 38.764 83.927 44.347 1.00 0.00 WT1 H ATOM 8746 OH2 TIP3 1978 43.444 19.186 61.424 1.00 0.00 WT1 O ATOM 8747 H1 TIP3 1978 43.811 19.412 60.569 1.00 0.00 WT1 H ATOM 8748 H2 TIP3 1978 43.528 19.988 61.940 1.00 0.00 WT1 H ATOM 8749 OH2 TIP3 1979 89.661 81.209 20.231 1.00 0.00 WT1 O ATOM 8750 H1 TIP3 1979 90.546 81.136 19.874 1.00 0.00 WT1 H ATOM 8751 H2 TIP3 1979 89.536 80.402 20.730 1.00 0.00 WT1 H ATOM 8752 OH2 TIP3 1980 37.339 48.292 34.136 1.00 0.00 WT1 O ATOM 8753 H1 TIP3 1980 37.898 48.135 34.897 1.00 0.00 WT1 H ATOM 8754 H2 TIP3 1980 36.650 48.872 34.460 1.00 0.00 WT1 H ATOM 8755 OH2 TIP3 1981 25.440 42.226 41.461 1.00 0.00 WT1 O ATOM 8756 H1 TIP3 1981 25.891 41.392 41.331 1.00 0.00 WT1 H ATOM 8757 H2 TIP3 1981 24.603 41.987 41.859 1.00 0.00 WT1 H ATOM 8758 OH2 TIP3 1982 49.939 93.081 48.930 1.00 0.00 WT1 O ATOM 8759 H1 TIP3 1982 50.700 93.328 48.406 1.00 0.00 WT1 H ATOM 8760 H2 TIP3 1982 49.570 92.324 48.475 1.00 0.00 WT1 H ATOM 8761 OH2 TIP3 1983 73.158 35.797 49.575 1.00 0.00 WT1 O ATOM 8762 H1 TIP3 1983 72.649 36.604 49.650 1.00 0.00 WT1 H ATOM 8763 H2 TIP3 1983 72.964 35.471 48.696 1.00 0.00 WT1 H ATOM 8764 OH2 TIP3 1984 29.371 54.615 67.009 1.00 0.00 WT1 O ATOM 8765 H1 TIP3 1984 28.650 54.987 66.501 1.00 0.00 WT1 H ATOM 8766 H2 TIP3 1984 29.468 55.206 67.756 1.00 0.00 WT1 H ATOM 8767 OH2 TIP3 1986 32.457 47.514 9.955 1.00 0.00 WT1 O ATOM 8768 H1 TIP3 1986 32.333 46.567 9.900 1.00 0.00 WT1 H ATOM 8769 H2 TIP3 1986 33.407 47.631 9.985 1.00 0.00 WT1 H ATOM 8770 OH2 TIP3 1987 54.630 78.243 17.018 1.00 0.00 WT1 O ATOM 8771 H1 TIP3 1987 54.520 77.465 17.565 1.00 0.00 WT1 H ATOM 8772 H2 TIP3 1987 55.522 78.173 16.678 1.00 0.00 WT1 H ATOM 8773 OH2 TIP3 1989 86.952 41.406 18.386 1.00 0.00 WT1 O ATOM 8774 H1 TIP3 1989 87.533 41.453 17.626 1.00 0.00 WT1 H ATOM 8775 H2 TIP3 1989 86.161 40.980 18.057 1.00 0.00 WT1 H ATOM 8776 OH2 TIP3 1990 68.146 47.871 32.761 1.00 0.00 WT1 O ATOM 8777 H1 TIP3 1990 68.259 48.738 33.150 1.00 0.00 WT1 H ATOM 8778 H2 TIP3 1990 67.322 47.931 32.277 1.00 0.00 WT1 H ATOM 8779 OH2 TIP3 1991 36.512 29.433 61.935 1.00 0.00 WT1 O ATOM 8780 H1 TIP3 1991 37.233 29.083 62.458 1.00 0.00 WT1 H ATOM 8781 H2 TIP3 1991 36.126 30.115 62.486 1.00 0.00 WT1 H ATOM 8782 OH2 TIP3 1992 40.780 90.195 4.919 1.00 0.00 WT1 O ATOM 8783 H1 TIP3 1992 39.964 90.591 4.612 1.00 0.00 WT1 H ATOM 8784 H2 TIP3 1992 40.756 90.303 5.870 1.00 0.00 WT1 H ATOM 8785 OH2 TIP3 1993 36.288 19.974 17.405 1.00 0.00 WT1 O ATOM 8786 H1 TIP3 1993 36.838 20.146 16.640 1.00 0.00 WT1 H ATOM 8787 H2 TIP3 1993 35.455 19.675 17.040 1.00 0.00 WT1 H ATOM 8788 OH2 TIP3 1994 76.168 39.536 30.838 1.00 0.00 WT1 O ATOM 8789 H1 TIP3 1994 75.936 40.137 31.547 1.00 0.00 WT1 H ATOM 8790 H2 TIP3 1994 75.348 39.093 30.621 1.00 0.00 WT1 H ATOM 8791 OH2 TIP3 1995 73.613 80.046 32.271 1.00 0.00 WT1 O ATOM 8792 H1 TIP3 1995 74.506 80.245 31.988 1.00 0.00 WT1 H ATOM 8793 H2 TIP3 1995 73.644 80.110 33.225 1.00 0.00 WT1 H ATOM 8794 OH2 TIP3 1996 63.065 32.512 26.870 1.00 0.00 WT1 O ATOM 8795 H1 TIP3 1996 63.670 32.253 26.175 1.00 0.00 WT1 H ATOM 8796 H2 TIP3 1996 62.945 33.454 26.745 1.00 0.00 WT1 H ATOM 8797 OH2 TIP3 1997 58.174 40.072 -16.101 1.00 0.00 WT1 O ATOM 8798 H1 TIP3 1997 57.596 39.687 -15.443 1.00 0.00 WT1 H ATOM 8799 H2 TIP3 1997 58.996 40.229 -15.637 1.00 0.00 WT1 H ATOM 8800 OH2 TIP3 1998 61.220 63.290 54.704 1.00 0.00 WT1 O ATOM 8801 H1 TIP3 1998 60.267 63.374 54.734 1.00 0.00 WT1 H ATOM 8802 H2 TIP3 1998 61.414 62.547 55.275 1.00 0.00 WT1 H ATOM 8803 OH2 TIP3 1999 83.840 44.848 19.030 1.00 0.00 WT1 O ATOM 8804 H1 TIP3 1999 84.040 45.720 19.371 1.00 0.00 WT1 H ATOM 8805 H2 TIP3 1999 83.916 44.938 18.080 1.00 0.00 WT1 H ATOM 8806 OH2 TIP3 2000 24.317 42.384 10.901 1.00 0.00 WT1 O ATOM 8807 H1 TIP3 2000 24.530 42.131 11.799 1.00 0.00 WT1 H ATOM 8808 H2 TIP3 2000 23.631 43.046 10.995 1.00 0.00 WT1 H ATOM 8809 OH2 TIP3 2001 37.375 58.293 -2.082 1.00 0.00 WT1 O ATOM 8810 H1 TIP3 2001 37.708 58.571 -1.228 1.00 0.00 WT1 H ATOM 8811 H2 TIP3 2001 36.827 59.022 -2.374 1.00 0.00 WT1 H ATOM 8812 OH2 TIP3 2002 35.693 38.463 -18.278 1.00 0.00 WT1 O ATOM 8813 H1 TIP3 2002 35.458 37.569 -18.523 1.00 0.00 WT1 H ATOM 8814 H2 TIP3 2002 34.856 38.924 -18.218 1.00 0.00 WT1 H ATOM 8815 OH2 TIP3 2003 28.634 63.787 10.940 1.00 0.00 WT1 O ATOM 8816 H1 TIP3 2003 28.097 63.619 11.714 1.00 0.00 WT1 H ATOM 8817 H2 TIP3 2003 29.036 62.942 10.738 1.00 0.00 WT1 H ATOM 8818 OH2 TIP3 2004 26.477 29.963 14.180 1.00 0.00 WT1 O ATOM 8819 H1 TIP3 2004 27.306 30.428 14.072 1.00 0.00 WT1 H ATOM 8820 H2 TIP3 2004 26.287 30.025 15.116 1.00 0.00 WT1 H ATOM 8821 OH2 TIP3 2005 68.247 77.696 -7.422 1.00 0.00 WT1 O ATOM 8822 H1 TIP3 2005 67.906 77.665 -8.316 1.00 0.00 WT1 H ATOM 8823 H2 TIP3 2005 69.179 77.500 -7.513 1.00 0.00 WT1 H ATOM 8824 OH2 TIP3 2006 30.224 43.068 19.976 1.00 0.00 WT1 O ATOM 8825 H1 TIP3 2006 30.117 43.751 19.314 1.00 0.00 WT1 H ATOM 8826 H2 TIP3 2006 30.870 43.424 20.586 1.00 0.00 WT1 H ATOM 8827 OH2 TIP3 2008 60.675 1.934 59.355 1.00 0.00 WT1 O ATOM 8828 H1 TIP3 2008 60.978 1.035 59.230 1.00 0.00 WT1 H ATOM 8829 H2 TIP3 2008 61.403 2.373 59.795 1.00 0.00 WT1 H ATOM 8830 OH2 TIP3 2010 45.416 41.927 54.762 1.00 0.00 WT1 O ATOM 8831 H1 TIP3 2010 44.968 42.208 55.559 1.00 0.00 WT1 H ATOM 8832 H2 TIP3 2010 45.100 41.035 54.611 1.00 0.00 WT1 H ATOM 8833 OH2 TIP3 2013 42.985 13.767 44.898 1.00 0.00 WT1 O ATOM 8834 H1 TIP3 2013 42.103 13.756 44.528 1.00 0.00 WT1 H ATOM 8835 H2 TIP3 2013 43.565 13.721 44.138 1.00 0.00 WT1 H ATOM 8836 OH2 TIP3 2014 85.118 63.684 -0.938 1.00 0.00 WT1 O ATOM 8837 H1 TIP3 2014 85.408 63.769 -0.030 1.00 0.00 WT1 H ATOM 8838 H2 TIP3 2014 85.927 63.689 -1.449 1.00 0.00 WT1 H ATOM 8839 OH2 TIP3 2015 86.669 29.219 13.335 1.00 0.00 WT1 O ATOM 8840 H1 TIP3 2015 85.742 28.984 13.374 1.00 0.00 WT1 H ATOM 8841 H2 TIP3 2015 87.130 28.416 13.577 1.00 0.00 WT1 H ATOM 8842 OH2 TIP3 2016 59.376 52.591 33.633 1.00 0.00 WT1 O ATOM 8843 H1 TIP3 2016 59.143 52.101 32.844 1.00 0.00 WT1 H ATOM 8844 H2 TIP3 2016 58.965 53.447 33.513 1.00 0.00 WT1 H ATOM 8845 OH2 TIP3 2017 63.641 85.844 14.573 1.00 0.00 WT1 O ATOM 8846 H1 TIP3 2017 62.943 85.191 14.621 1.00 0.00 WT1 H ATOM 8847 H2 TIP3 2017 64.428 85.338 14.370 1.00 0.00 WT1 H ATOM 8848 OH2 TIP3 2018 30.666 68.159 -10.943 1.00 0.00 WT1 O ATOM 8849 H1 TIP3 2018 29.828 68.452 -10.585 1.00 0.00 WT1 H ATOM 8850 H2 TIP3 2018 30.429 67.619 -11.697 1.00 0.00 WT1 H ATOM 8851 OH2 TIP3 2019 25.667 87.081 0.205 1.00 0.00 WT1 O ATOM 8852 H1 TIP3 2019 25.579 86.143 0.034 1.00 0.00 WT1 H ATOM 8853 H2 TIP3 2019 25.384 87.500 -0.607 1.00 0.00 WT1 H ATOM 8854 OH2 TIP3 2020 67.534 37.758 46.830 1.00 0.00 WT1 O ATOM 8855 H1 TIP3 2020 66.771 38.016 46.313 1.00 0.00 WT1 H ATOM 8856 H2 TIP3 2020 68.209 38.396 46.597 1.00 0.00 WT1 H ATOM 8857 OH2 TIP3 2021 26.580 51.746 1.350 1.00 0.00 WT1 O ATOM 8858 H1 TIP3 2021 27.406 51.652 0.876 1.00 0.00 WT1 H ATOM 8859 H2 TIP3 2021 26.795 52.303 2.098 1.00 0.00 WT1 H ATOM 8860 OH2 TIP3 2022 84.064 24.864 8.065 1.00 0.00 WT1 O ATOM 8861 H1 TIP3 2022 83.991 24.795 7.113 1.00 0.00 WT1 H ATOM 8862 H2 TIP3 2022 84.696 25.569 8.207 1.00 0.00 WT1 H ATOM 8863 OH2 TIP3 2023 49.221 72.868 0.300 1.00 0.00 WT1 O ATOM 8864 H1 TIP3 2023 49.562 73.743 0.114 1.00 0.00 WT1 H ATOM 8865 H2 TIP3 2023 49.654 72.300 -0.338 1.00 0.00 WT1 H ATOM 8866 OH2 TIP3 2024 44.852 55.991 13.711 1.00 0.00 WT1 O ATOM 8867 H1 TIP3 2024 43.964 56.346 13.671 1.00 0.00 WT1 H ATOM 8868 H2 TIP3 2024 44.938 55.658 14.604 1.00 0.00 WT1 H ATOM 8869 OH2 TIP3 2025 84.473 63.644 27.424 1.00 0.00 WT1 O ATOM 8870 H1 TIP3 2025 84.540 62.745 27.746 1.00 0.00 WT1 H ATOM 8871 H2 TIP3 2025 85.343 64.016 27.568 1.00 0.00 WT1 H ATOM 8872 OH2 TIP3 2030 66.803 60.540 57.328 1.00 0.00 WT1 O ATOM 8873 H1 TIP3 2030 67.293 59.724 57.428 1.00 0.00 WT1 H ATOM 8874 H2 TIP3 2030 66.854 60.958 58.188 1.00 0.00 WT1 H ATOM 8875 OH2 TIP3 2032 36.897 92.255 -14.559 1.00 0.00 WT1 O ATOM 8876 H1 TIP3 2032 36.162 91.661 -14.708 1.00 0.00 WT1 H ATOM 8877 H2 TIP3 2032 36.558 93.120 -14.792 1.00 0.00 WT1 H ATOM 8878 OH2 TIP3 2033 53.717 56.505 61.470 1.00 0.00 WT1 O ATOM 8879 H1 TIP3 2033 53.196 55.811 61.874 1.00 0.00 WT1 H ATOM 8880 H2 TIP3 2033 54.492 56.057 61.131 1.00 0.00 WT1 H ATOM 8881 OH2 TIP3 2035 54.965 27.081 5.672 1.00 0.00 WT1 O ATOM 8882 H1 TIP3 2035 55.075 27.856 5.122 1.00 0.00 WT1 H ATOM 8883 H2 TIP3 2035 55.279 27.353 6.535 1.00 0.00 WT1 H ATOM 8884 OH2 TIP3 2036 63.027 68.120 46.978 1.00 0.00 WT1 O ATOM 8885 H1 TIP3 2036 62.576 67.415 46.513 1.00 0.00 WT1 H ATOM 8886 H2 TIP3 2036 63.270 67.735 47.820 1.00 0.00 WT1 H ATOM 8887 OH2 TIP3 2037 32.474 15.836 8.571 1.00 0.00 WT1 O ATOM 8888 H1 TIP3 2037 31.954 15.047 8.725 1.00 0.00 WT1 H ATOM 8889 H2 TIP3 2037 32.163 16.460 9.228 1.00 0.00 WT1 H ATOM 8890 OH2 TIP3 2038 42.788 58.006 -10.687 1.00 0.00 WT1 O ATOM 8891 H1 TIP3 2038 42.396 57.247 -10.255 1.00 0.00 WT1 H ATOM 8892 H2 TIP3 2038 42.041 58.510 -11.010 1.00 0.00 WT1 H ATOM 8893 OH2 TIP3 2040 26.997 37.616 59.420 1.00 0.00 WT1 O ATOM 8894 H1 TIP3 2040 27.046 37.848 60.347 1.00 0.00 WT1 H ATOM 8895 H2 TIP3 2040 27.735 38.073 59.018 1.00 0.00 WT1 H ATOM 8896 OH2 TIP3 2041 36.289 62.050 40.735 1.00 0.00 WT1 O ATOM 8897 H1 TIP3 2041 37.227 62.236 40.788 1.00 0.00 WT1 H ATOM 8898 H2 TIP3 2041 35.917 62.817 40.298 1.00 0.00 WT1 H ATOM 8899 OH2 TIP3 2042 36.924 84.884 28.073 1.00 0.00 WT1 O ATOM 8900 H1 TIP3 2042 37.141 83.975 27.863 1.00 0.00 WT1 H ATOM 8901 H2 TIP3 2042 37.699 85.382 27.811 1.00 0.00 WT1 H ATOM 8902 OH2 TIP3 2043 56.519 18.995 -17.039 1.00 0.00 WT1 O ATOM 8903 H1 TIP3 2043 56.520 19.405 -17.904 1.00 0.00 WT1 H ATOM 8904 H2 TIP3 2043 55.936 19.543 -16.515 1.00 0.00 WT1 H ATOM 8905 OH2 TIP3 2044 62.141 75.114 42.525 1.00 0.00 WT1 O ATOM 8906 H1 TIP3 2044 61.839 74.475 43.171 1.00 0.00 WT1 H ATOM 8907 H2 TIP3 2044 63.030 74.834 42.307 1.00 0.00 WT1 H ATOM 8908 OH2 TIP3 2045 74.442 79.032 -18.217 1.00 0.00 WT1 O ATOM 8909 H1 TIP3 2045 74.075 78.445 -18.878 1.00 0.00 WT1 H ATOM 8910 H2 TIP3 2045 74.286 79.910 -18.563 1.00 0.00 WT1 H ATOM 8911 OH2 TIP3 2046 58.239 66.931 -13.322 1.00 0.00 WT1 O ATOM 8912 H1 TIP3 2046 59.103 66.531 -13.225 1.00 0.00 WT1 H ATOM 8913 H2 TIP3 2046 58.196 67.583 -12.623 1.00 0.00 WT1 H ATOM 8914 OH2 TIP3 2047 61.397 43.764 60.502 1.00 0.00 WT1 O ATOM 8915 H1 TIP3 2047 61.468 42.841 60.259 1.00 0.00 WT1 H ATOM 8916 H2 TIP3 2047 61.009 43.753 61.377 1.00 0.00 WT1 H ATOM 8917 OH2 TIP3 2049 53.807 16.095 36.235 1.00 0.00 WT1 O ATOM 8918 H1 TIP3 2049 54.113 15.735 37.068 1.00 0.00 WT1 H ATOM 8919 H2 TIP3 2049 54.608 16.258 35.736 1.00 0.00 WT1 H ATOM 8920 OH2 TIP3 2051 62.851 45.127 37.448 1.00 0.00 WT1 O ATOM 8921 H1 TIP3 2051 63.138 44.887 36.567 1.00 0.00 WT1 H ATOM 8922 H2 TIP3 2051 63.620 44.978 37.999 1.00 0.00 WT1 H ATOM 8923 OH2 TIP3 2052 71.240 47.456 39.445 1.00 0.00 WT1 O ATOM 8924 H1 TIP3 2052 71.909 46.797 39.262 1.00 0.00 WT1 H ATOM 8925 H2 TIP3 2052 71.484 48.204 38.900 1.00 0.00 WT1 H ATOM 8926 OH2 TIP3 2053 54.138 0.337 58.159 1.00 0.00 WT1 O ATOM 8927 H1 TIP3 2053 55.089 0.291 58.063 1.00 0.00 WT1 H ATOM 8928 H2 TIP3 2053 53.821 0.591 57.292 1.00 0.00 WT1 H ATOM 8929 OH2 TIP3 2055 84.266 64.984 60.134 1.00 0.00 WT1 O ATOM 8930 H1 TIP3 2055 83.438 64.638 59.801 1.00 0.00 WT1 H ATOM 8931 H2 TIP3 2055 84.179 64.941 61.086 1.00 0.00 WT1 H ATOM 8932 OH2 TIP3 2056 35.581 88.245 -12.948 1.00 0.00 WT1 O ATOM 8933 H1 TIP3 2056 35.326 88.779 -12.195 1.00 0.00 WT1 H ATOM 8934 H2 TIP3 2056 36.538 88.243 -12.928 1.00 0.00 WT1 H ATOM 8935 OH2 TIP3 2057 81.195 19.439 8.409 1.00 0.00 WT1 O ATOM 8936 H1 TIP3 2057 80.651 19.607 9.178 1.00 0.00 WT1 H ATOM 8937 H2 TIP3 2057 80.683 19.780 7.675 1.00 0.00 WT1 H ATOM 8938 OH2 TIP3 2058 71.433 19.349 45.906 1.00 0.00 WT1 O ATOM 8939 H1 TIP3 2058 72.196 19.043 45.415 1.00 0.00 WT1 H ATOM 8940 H2 TIP3 2058 70.682 19.001 45.423 1.00 0.00 WT1 H ATOM 8941 OH2 TIP3 2059 28.770 57.624 -13.575 1.00 0.00 WT1 O ATOM 8942 H1 TIP3 2059 29.648 57.979 -13.432 1.00 0.00 WT1 H ATOM 8943 H2 TIP3 2059 28.761 56.801 -13.086 1.00 0.00 WT1 H ATOM 8944 OH2 TIP3 2060 80.057 61.318 -8.543 1.00 0.00 WT1 O ATOM 8945 H1 TIP3 2060 80.046 62.243 -8.790 1.00 0.00 WT1 H ATOM 8946 H2 TIP3 2060 80.279 61.321 -7.612 1.00 0.00 WT1 H ATOM 8947 OH2 TIP3 2061 27.373 48.554 6.101 1.00 0.00 WT1 O ATOM 8948 H1 TIP3 2061 26.830 49.142 6.626 1.00 0.00 WT1 H ATOM 8949 H2 TIP3 2061 28.271 48.830 6.284 1.00 0.00 WT1 H ATOM 8950 OH2 TIP3 2062 22.239 34.907 15.170 1.00 0.00 WT1 O ATOM 8951 H1 TIP3 2062 22.934 34.723 15.802 1.00 0.00 WT1 H ATOM 8952 H2 TIP3 2062 22.119 35.856 15.214 1.00 0.00 WT1 H ATOM 8953 OH2 TIP3 2063 85.632 68.773 67.185 1.00 0.00 WT1 O ATOM 8954 H1 TIP3 2063 84.706 68.861 66.958 1.00 0.00 WT1 H ATOM 8955 H2 TIP3 2063 85.664 68.016 67.771 1.00 0.00 WT1 H ATOM 8956 OH2 TIP3 2064 61.458 91.430 64.385 1.00 0.00 WT1 O ATOM 8957 H1 TIP3 2064 61.177 92.222 64.843 1.00 0.00 WT1 H ATOM 8958 H2 TIP3 2064 62.372 91.315 64.643 1.00 0.00 WT1 H ATOM 8959 OH2 TIP3 2066 42.137 49.388 12.067 1.00 0.00 WT1 O ATOM 8960 H1 TIP3 2066 42.106 49.011 12.946 1.00 0.00 WT1 H ATOM 8961 H2 TIP3 2066 42.422 50.291 12.203 1.00 0.00 WT1 H ATOM 8962 OH2 TIP3 2067 72.851 86.845 8.547 1.00 0.00 WT1 O ATOM 8963 H1 TIP3 2067 73.075 86.327 7.774 1.00 0.00 WT1 H ATOM 8964 H2 TIP3 2067 73.026 86.263 9.286 1.00 0.00 WT1 H ATOM 8965 OH2 TIP3 2068 27.766 83.762 21.008 1.00 0.00 WT1 O ATOM 8966 H1 TIP3 2068 27.435 84.097 21.841 1.00 0.00 WT1 H ATOM 8967 H2 TIP3 2068 27.004 83.764 20.428 1.00 0.00 WT1 H ATOM 8968 OH2 TIP3 2069 67.504 27.928 -15.656 1.00 0.00 WT1 O ATOM 8969 H1 TIP3 2069 67.852 28.609 -15.080 1.00 0.00 WT1 H ATOM 8970 H2 TIP3 2069 66.594 27.823 -15.381 1.00 0.00 WT1 H ATOM 8971 OH2 TIP3 2070 66.833 33.010 42.531 1.00 0.00 WT1 O ATOM 8972 H1 TIP3 2070 67.384 33.187 43.292 1.00 0.00 WT1 H ATOM 8973 H2 TIP3 2070 65.943 32.972 42.882 1.00 0.00 WT1 H ATOM 8974 OH2 TIP3 2071 70.150 43.273 11.546 1.00 0.00 WT1 O ATOM 8975 H1 TIP3 2071 69.863 42.952 12.401 1.00 0.00 WT1 H ATOM 8976 H2 TIP3 2071 69.465 42.988 10.941 1.00 0.00 WT1 H ATOM 8977 OH2 TIP3 2074 82.547 67.029 48.762 1.00 0.00 WT1 O ATOM 8978 H1 TIP3 2074 82.805 66.133 48.545 1.00 0.00 WT1 H ATOM 8979 H2 TIP3 2074 83.157 67.294 49.450 1.00 0.00 WT1 H ATOM 8980 OH2 TIP3 2075 46.821 81.310 -9.975 1.00 0.00 WT1 O ATOM 8981 H1 TIP3 2075 47.190 80.719 -10.632 1.00 0.00 WT1 H ATOM 8982 H2 TIP3 2075 46.130 80.799 -9.553 1.00 0.00 WT1 H ATOM 8983 OH2 TIP3 2076 22.006 87.096 6.307 1.00 0.00 WT1 O ATOM 8984 H1 TIP3 2076 22.772 86.531 6.409 1.00 0.00 WT1 H ATOM 8985 H2 TIP3 2076 21.350 86.719 6.892 1.00 0.00 WT1 H ATOM 8986 OH2 TIP3 2079 20.640 37.748 44.954 1.00 0.00 WT1 O ATOM 8987 H1 TIP3 2079 20.964 38.029 44.099 1.00 0.00 WT1 H ATOM 8988 H2 TIP3 2079 21.273 37.091 45.246 1.00 0.00 WT1 H ATOM 8989 OH2 TIP3 2080 56.239 44.095 43.727 1.00 0.00 WT1 O ATOM 8990 H1 TIP3 2080 56.696 44.549 43.019 1.00 0.00 WT1 H ATOM 8991 H2 TIP3 2080 56.822 43.374 43.964 1.00 0.00 WT1 H ATOM 8992 OH2 TIP3 2081 29.132 82.196 -5.274 1.00 0.00 WT1 O ATOM 8993 H1 TIP3 2081 29.305 83.123 -5.442 1.00 0.00 WT1 H ATOM 8994 H2 TIP3 2081 28.193 82.095 -5.433 1.00 0.00 WT1 H ATOM 8995 OH2 TIP3 2082 29.719 88.393 -6.642 1.00 0.00 WT1 O ATOM 8996 H1 TIP3 2082 29.036 88.481 -7.307 1.00 0.00 WT1 H ATOM 8997 H2 TIP3 2082 29.490 87.593 -6.168 1.00 0.00 WT1 H ATOM 8998 OH2 TIP3 2083 26.765 54.369 61.315 1.00 0.00 WT1 O ATOM 8999 H1 TIP3 2083 27.288 53.954 62.001 1.00 0.00 WT1 H ATOM 9000 H2 TIP3 2083 26.186 53.674 61.002 1.00 0.00 WT1 H ATOM 9001 OH2 TIP3 2084 39.292 16.571 7.617 1.00 0.00 WT1 O ATOM 9002 H1 TIP3 2084 39.295 16.157 6.754 1.00 0.00 WT1 H ATOM 9003 H2 TIP3 2084 40.006 16.144 8.090 1.00 0.00 WT1 H ATOM 9004 OH2 TIP3 2086 86.740 55.374 57.563 1.00 0.00 WT1 O ATOM 9005 H1 TIP3 2086 85.878 54.959 57.545 1.00 0.00 WT1 H ATOM 9006 H2 TIP3 2086 87.356 54.646 57.651 1.00 0.00 WT1 H ATOM 9007 OH2 TIP3 2087 72.396 93.590 8.771 1.00 0.00 WT1 O ATOM 9008 H1 TIP3 2087 72.530 92.650 8.896 1.00 0.00 WT1 H ATOM 9009 H2 TIP3 2087 71.728 93.648 8.088 1.00 0.00 WT1 H ATOM 9010 OH2 TIP3 2088 78.443 36.429 -10.015 1.00 0.00 WT1 O ATOM 9011 H1 TIP3 2088 79.019 35.770 -9.627 1.00 0.00 WT1 H ATOM 9012 H2 TIP3 2088 78.310 37.072 -9.319 1.00 0.00 WT1 H ATOM 9013 OH2 TIP3 2089 77.886 85.459 -7.837 1.00 0.00 WT1 O ATOM 9014 H1 TIP3 2089 78.822 85.548 -8.018 1.00 0.00 WT1 H ATOM 9015 H2 TIP3 2089 77.832 84.749 -7.198 1.00 0.00 WT1 H ATOM 9016 OH2 TIP3 2090 67.860 90.565 9.052 1.00 0.00 WT1 O ATOM 9017 H1 TIP3 2090 67.022 90.341 9.456 1.00 0.00 WT1 H ATOM 9018 H2 TIP3 2090 67.719 90.430 8.115 1.00 0.00 WT1 H ATOM 9019 OH2 TIP3 2091 42.944 33.732 7.658 1.00 0.00 WT1 O ATOM 9020 H1 TIP3 2091 42.438 32.995 7.999 1.00 0.00 WT1 H ATOM 9021 H2 TIP3 2091 43.655 33.848 8.288 1.00 0.00 WT1 H ATOM 9022 OH2 TIP3 2092 35.477 68.705 66.184 1.00 0.00 WT1 O ATOM 9023 H1 TIP3 2092 34.926 68.010 66.544 1.00 0.00 WT1 H ATOM 9024 H2 TIP3 2092 36.327 68.289 66.043 1.00 0.00 WT1 H ATOM 9025 OH2 TIP3 2093 62.443 52.954 26.785 1.00 0.00 WT1 O ATOM 9026 H1 TIP3 2093 61.923 52.425 27.390 1.00 0.00 WT1 H ATOM 9027 H2 TIP3 2093 61.804 53.515 26.346 1.00 0.00 WT1 H ATOM 9028 OH2 TIP3 2094 47.459 45.879 23.777 1.00 0.00 WT1 O ATOM 9029 H1 TIP3 2094 47.213 46.603 23.202 1.00 0.00 WT1 H ATOM 9030 H2 TIP3 2094 46.785 45.873 24.457 1.00 0.00 WT1 H ATOM 9031 OH2 TIP3 2095 30.417 28.027 0.334 1.00 0.00 WT1 O ATOM 9032 H1 TIP3 2095 29.656 27.948 0.909 1.00 0.00 WT1 H ATOM 9033 H2 TIP3 2095 30.075 28.437 -0.461 1.00 0.00 WT1 H ATOM 9034 OH2 TIP3 2096 75.597 62.201 37.284 1.00 0.00 WT1 O ATOM 9035 H1 TIP3 2096 75.482 62.312 38.228 1.00 0.00 WT1 H ATOM 9036 H2 TIP3 2096 76.055 61.366 37.194 1.00 0.00 WT1 H ATOM 9037 OH2 TIP3 2098 40.630 4.008 30.939 1.00 0.00 WT1 O ATOM 9038 H1 TIP3 2098 40.342 4.870 30.639 1.00 0.00 WT1 H ATOM 9039 H2 TIP3 2098 41.397 3.810 30.402 1.00 0.00 WT1 H ATOM 9040 OH2 TIP3 2100 27.341 13.594 41.548 1.00 0.00 WT1 O ATOM 9041 H1 TIP3 2100 27.163 13.649 40.609 1.00 0.00 WT1 H ATOM 9042 H2 TIP3 2100 27.609 12.686 41.688 1.00 0.00 WT1 H ATOM 9043 OH2 TIP3 2102 49.511 9.874 -5.213 1.00 0.00 WT1 O ATOM 9044 H1 TIP3 2102 50.011 10.453 -4.637 1.00 0.00 WT1 H ATOM 9045 H2 TIP3 2102 50.013 9.060 -5.230 1.00 0.00 WT1 H ATOM 9046 OH2 TIP3 2103 32.031 80.641 -13.604 1.00 0.00 WT1 O ATOM 9047 H1 TIP3 2103 32.827 80.395 -13.132 1.00 0.00 WT1 H ATOM 9048 H2 TIP3 2103 31.527 79.829 -13.663 1.00 0.00 WT1 H ATOM 9049 OH2 TIP3 2104 49.056 88.798 33.802 1.00 0.00 WT1 O ATOM 9050 H1 TIP3 2104 49.322 87.911 33.559 1.00 0.00 WT1 H ATOM 9051 H2 TIP3 2104 48.948 88.763 34.753 1.00 0.00 WT1 H ATOM 9052 OH2 TIP3 2105 34.447 11.759 67.655 1.00 0.00 WT1 O ATOM 9053 H1 TIP3 2105 33.686 11.664 67.082 1.00 0.00 WT1 H ATOM 9054 H2 TIP3 2105 35.098 11.160 67.290 1.00 0.00 WT1 H ATOM 9055 OH2 TIP3 2106 79.191 20.653 6.469 1.00 0.00 WT1 O ATOM 9056 H1 TIP3 2106 78.520 19.996 6.650 1.00 0.00 WT1 H ATOM 9057 H2 TIP3 2106 78.756 21.292 5.904 1.00 0.00 WT1 H ATOM 9058 OH2 TIP3 2107 73.553 15.563 -8.021 1.00 0.00 WT1 O ATOM 9059 H1 TIP3 2107 74.067 16.260 -7.614 1.00 0.00 WT1 H ATOM 9060 H2 TIP3 2107 72.697 15.959 -8.183 1.00 0.00 WT1 H ATOM 9061 OH2 TIP3 2108 57.183 53.825 -11.721 1.00 0.00 WT1 O ATOM 9062 H1 TIP3 2108 56.478 54.218 -11.207 1.00 0.00 WT1 H ATOM 9063 H2 TIP3 2108 57.006 52.885 -11.692 1.00 0.00 WT1 H ATOM 9064 OH2 TIP3 2109 29.956 79.360 17.289 1.00 0.00 WT1 O ATOM 9065 H1 TIP3 2109 30.091 78.413 17.251 1.00 0.00 WT1 H ATOM 9066 H2 TIP3 2109 29.037 79.481 17.049 1.00 0.00 WT1 H ATOM 9067 OH2 TIP3 2110 29.237 34.524 16.201 1.00 0.00 WT1 O ATOM 9068 H1 TIP3 2110 29.531 35.434 16.164 1.00 0.00 WT1 H ATOM 9069 H2 TIP3 2110 29.836 34.102 16.817 1.00 0.00 WT1 H ATOM 9070 OH2 TIP3 2112 53.081 57.520 -16.935 1.00 0.00 WT1 O ATOM 9071 H1 TIP3 2112 52.535 56.762 -17.145 1.00 0.00 WT1 H ATOM 9072 H2 TIP3 2112 52.478 58.263 -16.956 1.00 0.00 WT1 H ATOM 9073 OH2 TIP3 2113 46.865 3.836 57.942 1.00 0.00 WT1 O ATOM 9074 H1 TIP3 2113 46.859 2.889 57.804 1.00 0.00 WT1 H ATOM 9075 H2 TIP3 2113 47.765 4.036 58.200 1.00 0.00 WT1 H ATOM 9076 OH2 TIP3 2114 77.533 56.295 -10.896 1.00 0.00 WT1 O ATOM 9077 H1 TIP3 2114 77.937 55.432 -10.984 1.00 0.00 WT1 H ATOM 9078 H2 TIP3 2114 76.621 56.160 -11.153 1.00 0.00 WT1 H ATOM 9079 OH2 TIP3 2115 42.641 52.085 12.190 1.00 0.00 WT1 O ATOM 9080 H1 TIP3 2115 42.552 52.670 12.942 1.00 0.00 WT1 H ATOM 9081 H2 TIP3 2115 43.473 52.337 11.787 1.00 0.00 WT1 H ATOM 9082 OH2 TIP3 2116 69.585 80.815 55.723 1.00 0.00 WT1 O ATOM 9083 H1 TIP3 2116 70.341 81.063 56.255 1.00 0.00 WT1 H ATOM 9084 H2 TIP3 2116 68.845 80.843 56.330 1.00 0.00 WT1 H ATOM 9085 OH2 TIP3 2117 30.146 56.556 -5.079 1.00 0.00 WT1 O ATOM 9086 H1 TIP3 2117 30.338 55.825 -4.492 1.00 0.00 WT1 H ATOM 9087 H2 TIP3 2117 29.318 56.912 -4.755 1.00 0.00 WT1 H ATOM 9088 OH2 TIP3 2118 67.786 38.335 20.645 1.00 0.00 WT1 O ATOM 9089 H1 TIP3 2118 67.530 37.767 19.918 1.00 0.00 WT1 H ATOM 9090 H2 TIP3 2118 68.570 38.787 20.332 1.00 0.00 WT1 H ATOM 9091 OH2 TIP3 2119 85.424 95.427 38.326 1.00 0.00 WT1 O ATOM 9092 H1 TIP3 2119 85.347 95.776 37.438 1.00 0.00 WT1 H ATOM 9093 H2 TIP3 2119 86.351 95.205 38.418 1.00 0.00 WT1 H ATOM 9094 OH2 TIP3 2120 77.374 64.090 6.108 1.00 0.00 WT1 O ATOM 9095 H1 TIP3 2120 76.705 64.189 5.431 1.00 0.00 WT1 H ATOM 9096 H2 TIP3 2120 76.929 64.329 6.922 1.00 0.00 WT1 H ATOM 9097 OH2 TIP3 2121 39.616 87.864 12.409 1.00 0.00 WT1 O ATOM 9098 H1 TIP3 2121 39.107 88.092 11.631 1.00 0.00 WT1 H ATOM 9099 H2 TIP3 2121 40.010 87.018 12.198 1.00 0.00 WT1 H ATOM 9100 OH2 TIP3 2122 59.691 78.090 -5.665 1.00 0.00 WT1 O ATOM 9101 H1 TIP3 2122 60.105 78.889 -5.990 1.00 0.00 WT1 H ATOM 9102 H2 TIP3 2122 60.034 77.984 -4.778 1.00 0.00 WT1 H ATOM 9103 OH2 TIP3 2123 48.861 84.467 25.199 1.00 0.00 WT1 O ATOM 9104 H1 TIP3 2123 48.705 83.556 25.451 1.00 0.00 WT1 H ATOM 9105 H2 TIP3 2123 48.366 84.580 24.388 1.00 0.00 WT1 H ATOM 9106 OH2 TIP3 2124 35.000 0.742 59.708 1.00 0.00 WT1 O ATOM 9107 H1 TIP3 2124 35.528 0.702 60.506 1.00 0.00 WT1 H ATOM 9108 H2 TIP3 2124 34.168 0.335 59.950 1.00 0.00 WT1 H ATOM 9109 OH2 TIP3 2125 62.682 88.806 16.616 1.00 0.00 WT1 O ATOM 9110 H1 TIP3 2125 62.757 87.944 17.024 1.00 0.00 WT1 H ATOM 9111 H2 TIP3 2125 63.205 88.740 15.817 1.00 0.00 WT1 H ATOM 9112 OH2 TIP3 2126 83.122 30.874 46.089 1.00 0.00 WT1 O ATOM 9113 H1 TIP3 2126 83.217 29.944 45.882 1.00 0.00 WT1 H ATOM 9114 H2 TIP3 2126 82.222 30.960 46.402 1.00 0.00 WT1 H ATOM 9115 OH2 TIP3 2127 54.268 91.094 11.559 1.00 0.00 WT1 O ATOM 9116 H1 TIP3 2127 54.084 91.600 10.767 1.00 0.00 WT1 H ATOM 9117 H2 TIP3 2127 55.124 91.407 11.850 1.00 0.00 WT1 H ATOM 9118 OH2 TIP3 2128 41.869 81.630 57.351 1.00 0.00 WT1 O ATOM 9119 H1 TIP3 2128 42.377 82.140 56.720 1.00 0.00 WT1 H ATOM 9120 H2 TIP3 2128 40.958 81.853 57.162 1.00 0.00 WT1 H ATOM 9121 OH2 TIP3 2129 36.040 33.828 57.617 1.00 0.00 WT1 O ATOM 9122 H1 TIP3 2129 36.025 33.826 58.574 1.00 0.00 WT1 H ATOM 9123 H2 TIP3 2129 35.381 33.181 57.365 1.00 0.00 WT1 H ATOM 9124 OH2 TIP3 2130 74.175 55.969 55.483 1.00 0.00 WT1 O ATOM 9125 H1 TIP3 2130 73.230 55.885 55.361 1.00 0.00 WT1 H ATOM 9126 H2 TIP3 2130 74.433 56.669 54.883 1.00 0.00 WT1 H ATOM 9127 OH2 TIP3 2131 28.813 55.940 -0.800 1.00 0.00 WT1 O ATOM 9128 H1 TIP3 2131 29.521 55.628 -1.364 1.00 0.00 WT1 H ATOM 9129 H2 TIP3 2131 29.089 55.704 0.085 1.00 0.00 WT1 H ATOM 9130 OH2 TIP3 2132 60.387 48.118 -5.810 1.00 0.00 WT1 O ATOM 9131 H1 TIP3 2132 59.653 48.709 -5.978 1.00 0.00 WT1 H ATOM 9132 H2 TIP3 2132 60.140 47.651 -5.012 1.00 0.00 WT1 H ATOM 9133 OH2 TIP3 2133 24.329 8.426 30.817 1.00 0.00 WT1 O ATOM 9134 H1 TIP3 2133 24.639 7.569 31.110 1.00 0.00 WT1 H ATOM 9135 H2 TIP3 2133 24.913 8.659 30.095 1.00 0.00 WT1 H ATOM 9136 OH2 TIP3 2134 21.604 51.996 23.566 1.00 0.00 WT1 O ATOM 9137 H1 TIP3 2134 20.882 52.625 23.553 1.00 0.00 WT1 H ATOM 9138 H2 TIP3 2134 22.324 52.449 23.127 1.00 0.00 WT1 H ATOM 9139 OH2 TIP3 2135 23.019 43.482 1.929 1.00 0.00 WT1 O ATOM 9140 H1 TIP3 2135 22.067 43.411 1.999 1.00 0.00 WT1 H ATOM 9141 H2 TIP3 2135 23.331 43.424 2.832 1.00 0.00 WT1 H ATOM 9142 OH2 TIP3 2136 29.320 63.512 66.771 1.00 0.00 WT1 O ATOM 9143 H1 TIP3 2136 28.477 63.950 66.658 1.00 0.00 WT1 H ATOM 9144 H2 TIP3 2136 29.883 64.175 67.170 1.00 0.00 WT1 H ATOM 9145 OH2 TIP3 2137 29.476 29.112 -5.424 1.00 0.00 WT1 O ATOM 9146 H1 TIP3 2137 30.387 29.163 -5.713 1.00 0.00 WT1 H ATOM 9147 H2 TIP3 2137 29.364 29.869 -4.849 1.00 0.00 WT1 H ATOM 9148 OH2 TIP3 2138 89.204 17.944 7.985 1.00 0.00 WT1 O ATOM 9149 H1 TIP3 2138 89.804 17.565 8.627 1.00 0.00 WT1 H ATOM 9150 H2 TIP3 2138 88.453 18.235 8.502 1.00 0.00 WT1 H ATOM 9151 OH2 TIP3 2139 24.652 36.715 59.442 1.00 0.00 WT1 O ATOM 9152 H1 TIP3 2139 25.477 37.199 59.415 1.00 0.00 WT1 H ATOM 9153 H2 TIP3 2139 23.976 37.391 59.396 1.00 0.00 WT1 H ATOM 9154 OH2 TIP3 2140 35.709 44.554 36.005 1.00 0.00 WT1 O ATOM 9155 H1 TIP3 2140 36.599 44.901 36.068 1.00 0.00 WT1 H ATOM 9156 H2 TIP3 2140 35.633 44.254 35.099 1.00 0.00 WT1 H ATOM 9157 OH2 TIP3 2141 31.532 13.667 67.082 1.00 0.00 WT1 O ATOM 9158 H1 TIP3 2141 32.304 14.123 66.746 1.00 0.00 WT1 H ATOM 9159 H2 TIP3 2141 30.958 14.366 67.396 1.00 0.00 WT1 H ATOM 9160 OH2 TIP3 2143 38.681 28.590 -12.135 1.00 0.00 WT1 O ATOM 9161 H1 TIP3 2143 39.397 29.211 -12.269 1.00 0.00 WT1 H ATOM 9162 H2 TIP3 2143 38.845 28.219 -11.268 1.00 0.00 WT1 H ATOM 9163 OH2 TIP3 2144 30.039 95.114 12.601 1.00 0.00 WT1 O ATOM 9164 H1 TIP3 2144 29.512 94.343 12.390 1.00 0.00 WT1 H ATOM 9165 H2 TIP3 2144 29.439 95.852 12.492 1.00 0.00 WT1 H ATOM 9166 OH2 TIP3 2145 80.454 92.927 59.882 1.00 0.00 WT1 O ATOM 9167 H1 TIP3 2145 81.107 92.913 59.183 1.00 0.00 WT1 H ATOM 9168 H2 TIP3 2145 79.626 93.101 59.434 1.00 0.00 WT1 H ATOM 9169 OH2 TIP3 2146 89.878 66.354 -3.300 1.00 0.00 WT1 O ATOM 9170 H1 TIP3 2146 89.110 65.828 -3.522 1.00 0.00 WT1 H ATOM 9171 H2 TIP3 2146 89.884 66.377 -2.343 1.00 0.00 WT1 H ATOM 9172 OH2 TIP3 2147 87.022 58.171 60.845 1.00 0.00 WT1 O ATOM 9173 H1 TIP3 2147 87.105 58.924 60.261 1.00 0.00 WT1 H ATOM 9174 H2 TIP3 2147 86.602 58.522 61.631 1.00 0.00 WT1 H ATOM 9175 OH2 TIP3 2148 46.205 9.475 29.533 1.00 0.00 WT1 O ATOM 9176 H1 TIP3 2148 46.916 8.926 29.203 1.00 0.00 WT1 H ATOM 9177 H2 TIP3 2148 46.249 10.270 29.002 1.00 0.00 WT1 H ATOM 9178 OH2 TIP3 2149 61.325 94.127 1.042 1.00 0.00 WT1 O ATOM 9179 H1 TIP3 2149 61.231 93.755 0.165 1.00 0.00 WT1 H ATOM 9180 H2 TIP3 2149 60.560 94.694 1.145 1.00 0.00 WT1 H ATOM 9181 OH2 TIP3 2150 40.590 66.084 12.456 1.00 0.00 WT1 O ATOM 9182 H1 TIP3 2150 40.504 65.131 12.496 1.00 0.00 WT1 H ATOM 9183 H2 TIP3 2150 41.381 66.232 11.938 1.00 0.00 WT1 H ATOM 9184 OH2 TIP3 2151 25.223 69.602 36.438 1.00 0.00 WT1 O ATOM 9185 H1 TIP3 2151 24.437 69.536 35.896 1.00 0.00 WT1 H ATOM 9186 H2 TIP3 2151 25.666 68.761 36.321 1.00 0.00 WT1 H ATOM 9187 OH2 TIP3 2152 46.846 60.340 -2.842 1.00 0.00 WT1 O ATOM 9188 H1 TIP3 2152 46.016 59.883 -2.982 1.00 0.00 WT1 H ATOM 9189 H2 TIP3 2152 47.207 59.943 -2.049 1.00 0.00 WT1 H ATOM 9190 OH2 TIP3 2153 39.538 31.687 28.168 1.00 0.00 WT1 O ATOM 9191 H1 TIP3 2153 40.002 31.424 28.963 1.00 0.00 WT1 H ATOM 9192 H2 TIP3 2153 39.161 32.540 28.381 1.00 0.00 WT1 H ATOM 9193 OH2 TIP3 2154 43.440 50.958 7.808 1.00 0.00 WT1 O ATOM 9194 H1 TIP3 2154 43.714 50.062 7.608 1.00 0.00 WT1 H ATOM 9195 H2 TIP3 2154 44.176 51.331 8.293 1.00 0.00 WT1 H ATOM 9196 OH2 TIP3 2155 48.024 95.247 15.219 1.00 0.00 WT1 O ATOM 9197 H1 TIP3 2155 48.337 94.460 14.772 1.00 0.00 WT1 H ATOM 9198 H2 TIP3 2155 48.224 95.093 16.142 1.00 0.00 WT1 H ATOM 9199 OH2 TIP3 2156 54.923 39.007 22.290 1.00 0.00 WT1 O ATOM 9200 H1 TIP3 2156 54.936 39.523 23.096 1.00 0.00 WT1 H ATOM 9201 H2 TIP3 2156 55.842 38.943 22.032 1.00 0.00 WT1 H ATOM 9202 OH2 TIP3 2157 30.523 50.181 54.660 1.00 0.00 WT1 O ATOM 9203 H1 TIP3 2157 29.679 50.221 55.110 1.00 0.00 WT1 H ATOM 9204 H2 TIP3 2157 30.497 49.357 54.174 1.00 0.00 WT1 H ATOM 9205 OH2 TIP3 2158 34.003 73.482 -12.504 1.00 0.00 WT1 O ATOM 9206 H1 TIP3 2158 34.731 72.949 -12.822 1.00 0.00 WT1 H ATOM 9207 H2 TIP3 2158 33.444 73.606 -13.271 1.00 0.00 WT1 H ATOM 9208 OH2 TIP3 2160 69.101 69.713 30.324 1.00 0.00 WT1 O ATOM 9209 H1 TIP3 2160 68.950 69.730 29.379 1.00 0.00 WT1 H ATOM 9210 H2 TIP3 2160 68.510 69.033 30.649 1.00 0.00 WT1 H ATOM 9211 OH2 TIP3 2161 83.940 35.410 38.353 1.00 0.00 WT1 O ATOM 9212 H1 TIP3 2161 84.763 35.898 38.329 1.00 0.00 WT1 H ATOM 9213 H2 TIP3 2161 83.896 34.970 37.504 1.00 0.00 WT1 H ATOM 9214 OH2 TIP3 2162 79.911 66.716 25.244 1.00 0.00 WT1 O ATOM 9215 H1 TIP3 2162 80.764 66.281 25.260 1.00 0.00 WT1 H ATOM 9216 H2 TIP3 2162 80.073 67.546 24.794 1.00 0.00 WT1 H ATOM 9217 OH2 TIP3 2163 38.252 78.595 12.590 1.00 0.00 WT1 O ATOM 9218 H1 TIP3 2163 38.832 78.936 11.910 1.00 0.00 WT1 H ATOM 9219 H2 TIP3 2163 38.241 79.278 13.261 1.00 0.00 WT1 H ATOM 9220 OH2 TIP3 2165 53.227 18.446 5.587 1.00 0.00 WT1 O ATOM 9221 H1 TIP3 2165 53.416 19.227 5.067 1.00 0.00 WT1 H ATOM 9222 H2 TIP3 2165 53.212 17.731 4.950 1.00 0.00 WT1 H ATOM 9223 OH2 TIP3 2166 25.310 52.943 33.199 1.00 0.00 WT1 O ATOM 9224 H1 TIP3 2166 24.522 52.530 33.552 1.00 0.00 WT1 H ATOM 9225 H2 TIP3 2166 25.722 52.261 32.669 1.00 0.00 WT1 H ATOM 9226 OH2 TIP3 2167 38.346 39.598 59.605 1.00 0.00 WT1 O ATOM 9227 H1 TIP3 2167 38.553 39.882 58.714 1.00 0.00 WT1 H ATOM 9228 H2 TIP3 2167 37.390 39.555 59.626 1.00 0.00 WT1 H ATOM 9229 OH2 TIP3 2168 49.596 16.218 -13.479 1.00 0.00 WT1 O ATOM 9230 H1 TIP3 2168 49.720 17.079 -13.880 1.00 0.00 WT1 H ATOM 9231 H2 TIP3 2168 50.424 15.762 -13.630 1.00 0.00 WT1 H ATOM 9232 OH2 TIP3 2169 27.954 43.058 8.459 1.00 0.00 WT1 O ATOM 9233 H1 TIP3 2169 27.293 43.641 8.086 1.00 0.00 WT1 H ATOM 9234 H2 TIP3 2169 27.593 42.798 9.307 1.00 0.00 WT1 H ATOM 9235 OH2 TIP3 2170 70.266 71.983 3.180 1.00 0.00 WT1 O ATOM 9236 H1 TIP3 2170 69.583 71.313 3.211 1.00 0.00 WT1 H ATOM 9237 H2 TIP3 2170 69.900 72.673 2.626 1.00 0.00 WT1 H ATOM 9238 OH2 TIP3 2171 49.640 84.527 39.723 1.00 0.00 WT1 O ATOM 9239 H1 TIP3 2171 49.185 85.224 40.194 1.00 0.00 WT1 H ATOM 9240 H2 TIP3 2171 49.633 83.784 40.327 1.00 0.00 WT1 H ATOM 9241 OH2 TIP3 2172 69.729 74.026 37.435 1.00 0.00 WT1 O ATOM 9242 H1 TIP3 2172 70.007 73.226 37.881 1.00 0.00 WT1 H ATOM 9243 H2 TIP3 2172 69.203 73.719 36.696 1.00 0.00 WT1 H ATOM 9244 OH2 TIP3 2173 62.593 86.105 10.385 1.00 0.00 WT1 O ATOM 9245 H1 TIP3 2173 62.485 85.359 9.795 1.00 0.00 WT1 H ATOM 9246 H2 TIP3 2173 63.488 86.023 10.714 1.00 0.00 WT1 H ATOM 9247 OH2 TIP3 2176 40.011 56.679 -18.002 1.00 0.00 WT1 O ATOM 9248 H1 TIP3 2176 40.930 56.476 -18.176 1.00 0.00 WT1 H ATOM 9249 H2 TIP3 2176 39.545 55.867 -18.199 1.00 0.00 WT1 H ATOM 9250 OH2 TIP3 2177 90.741 42.609 11.773 1.00 0.00 WT1 O ATOM 9251 H1 TIP3 2177 90.331 43.260 12.341 1.00 0.00 WT1 H ATOM 9252 H2 TIP3 2177 90.987 41.896 12.363 1.00 0.00 WT1 H ATOM 9253 OH2 TIP3 2178 26.004 42.630 36.618 1.00 0.00 WT1 O ATOM 9254 H1 TIP3 2178 26.376 41.880 36.155 1.00 0.00 WT1 H ATOM 9255 H2 TIP3 2178 25.375 42.247 37.230 1.00 0.00 WT1 H ATOM 9256 OH2 TIP3 2180 64.921 34.303 49.400 1.00 0.00 WT1 O ATOM 9257 H1 TIP3 2180 64.253 34.763 48.893 1.00 0.00 WT1 H ATOM 9258 H2 TIP3 2180 64.738 34.540 50.309 1.00 0.00 WT1 H ATOM 9259 OH2 TIP3 2181 21.782 36.598 49.832 1.00 0.00 WT1 O ATOM 9260 H1 TIP3 2181 22.276 36.740 49.025 1.00 0.00 WT1 H ATOM 9261 H2 TIP3 2181 21.508 37.474 50.103 1.00 0.00 WT1 H ATOM 9262 OH2 TIP3 2182 84.943 61.969 41.278 1.00 0.00 WT1 O ATOM 9263 H1 TIP3 2182 85.715 62.425 40.942 1.00 0.00 WT1 H ATOM 9264 H2 TIP3 2182 84.440 61.740 40.496 1.00 0.00 WT1 H ATOM 9265 OH2 TIP3 2183 86.650 61.261 43.978 1.00 0.00 WT1 O ATOM 9266 H1 TIP3 2183 86.531 60.311 44.004 1.00 0.00 WT1 H ATOM 9267 H2 TIP3 2183 87.283 61.443 44.672 1.00 0.00 WT1 H ATOM 9268 OH2 TIP3 2184 36.992 73.932 13.278 1.00 0.00 WT1 O ATOM 9269 H1 TIP3 2184 37.589 73.313 12.856 1.00 0.00 WT1 H ATOM 9270 H2 TIP3 2184 36.617 74.435 12.554 1.00 0.00 WT1 H ATOM 9271 OH2 TIP3 2185 55.903 85.950 23.953 1.00 0.00 WT1 O ATOM 9272 H1 TIP3 2185 56.745 86.383 24.094 1.00 0.00 WT1 H ATOM 9273 H2 TIP3 2185 56.133 85.057 23.696 1.00 0.00 WT1 H ATOM 9274 OH2 TIP3 2186 32.332 6.370 59.334 1.00 0.00 WT1 O ATOM 9275 H1 TIP3 2186 32.193 7.304 59.490 1.00 0.00 WT1 H ATOM 9276 H2 TIP3 2186 33.279 6.284 59.221 1.00 0.00 WT1 H ATOM 9277 OH2 TIP3 2187 39.697 76.647 -8.886 1.00 0.00 WT1 O ATOM 9278 H1 TIP3 2187 39.570 76.224 -8.037 1.00 0.00 WT1 H ATOM 9279 H2 TIP3 2187 39.987 77.534 -8.672 1.00 0.00 WT1 H ATOM 9280 OH2 TIP3 2188 37.127 24.956 -6.266 1.00 0.00 WT1 O ATOM 9281 H1 TIP3 2188 36.814 24.119 -5.925 1.00 0.00 WT1 H ATOM 9282 H2 TIP3 2188 37.756 25.262 -5.612 1.00 0.00 WT1 H ATOM 9283 OH2 TIP3 2189 66.100 6.543 1.613 1.00 0.00 WT1 O ATOM 9284 H1 TIP3 2189 65.528 6.129 2.259 1.00 0.00 WT1 H ATOM 9285 H2 TIP3 2189 65.503 6.889 0.949 1.00 0.00 WT1 H ATOM 9286 OH2 TIP3 2190 55.119 44.553 -7.176 1.00 0.00 WT1 O ATOM 9287 H1 TIP3 2190 54.941 43.634 -6.976 1.00 0.00 WT1 H ATOM 9288 H2 TIP3 2190 55.686 44.848 -6.464 1.00 0.00 WT1 H ATOM 9289 OH2 TIP3 2191 78.987 43.172 44.314 1.00 0.00 WT1 O ATOM 9290 H1 TIP3 2191 78.559 42.776 45.073 1.00 0.00 WT1 H ATOM 9291 H2 TIP3 2191 78.352 43.807 43.984 1.00 0.00 WT1 H ATOM 9292 OH2 TIP3 2192 68.759 38.951 55.065 1.00 0.00 WT1 O ATOM 9293 H1 TIP3 2192 68.525 38.127 55.491 1.00 0.00 WT1 H ATOM 9294 H2 TIP3 2192 67.963 39.219 54.606 1.00 0.00 WT1 H ATOM 9295 OH2 TIP3 2193 24.435 34.303 38.395 1.00 0.00 WT1 O ATOM 9296 H1 TIP3 2193 25.019 33.560 38.241 1.00 0.00 WT1 H ATOM 9297 H2 TIP3 2193 23.735 34.195 37.751 1.00 0.00 WT1 H ATOM 9298 OH2 TIP3 2194 55.143 21.554 -0.485 1.00 0.00 WT1 O ATOM 9299 H1 TIP3 2194 55.589 21.682 0.352 1.00 0.00 WT1 H ATOM 9300 H2 TIP3 2194 54.809 22.421 -0.714 1.00 0.00 WT1 H ATOM 9301 OH2 TIP3 2195 50.097 16.722 15.181 1.00 0.00 WT1 O ATOM 9302 H1 TIP3 2195 49.908 17.564 14.767 1.00 0.00 WT1 H ATOM 9303 H2 TIP3 2195 49.657 16.767 16.030 1.00 0.00 WT1 H ATOM 9304 OH2 TIP3 2196 74.715 45.573 -16.639 1.00 0.00 WT1 O ATOM 9305 H1 TIP3 2196 75.016 45.566 -17.547 1.00 0.00 WT1 H ATOM 9306 H2 TIP3 2196 74.277 46.419 -16.538 1.00 0.00 WT1 H ATOM 9307 OH2 TIP3 2197 66.642 43.718 44.304 1.00 0.00 WT1 O ATOM 9308 H1 TIP3 2197 66.596 44.175 43.464 1.00 0.00 WT1 H ATOM 9309 H2 TIP3 2197 66.099 44.243 44.893 1.00 0.00 WT1 H ATOM 9310 OH2 TIP3 2198 43.173 43.106 35.616 1.00 0.00 WT1 O ATOM 9311 H1 TIP3 2198 43.417 42.933 34.706 1.00 0.00 WT1 H ATOM 9312 H2 TIP3 2198 43.950 42.867 36.122 1.00 0.00 WT1 H ATOM 9313 OH2 TIP3 2199 35.221 39.005 -10.751 1.00 0.00 WT1 O ATOM 9314 H1 TIP3 2199 35.398 39.588 -11.489 1.00 0.00 WT1 H ATOM 9315 H2 TIP3 2199 34.891 39.583 -10.063 1.00 0.00 WT1 H ATOM 9316 OH2 TIP3 2200 41.188 6.297 3.021 1.00 0.00 WT1 O ATOM 9317 H1 TIP3 2200 41.663 5.767 3.661 1.00 0.00 WT1 H ATOM 9318 H2 TIP3 2200 41.359 7.201 3.285 1.00 0.00 WT1 H ATOM 9319 OH2 TIP3 2201 38.424 0.841 6.338 1.00 0.00 WT1 O ATOM 9320 H1 TIP3 2201 39.139 1.471 6.428 1.00 0.00 WT1 H ATOM 9321 H2 TIP3 2201 38.068 0.755 7.223 1.00 0.00 WT1 H ATOM 9322 OH2 TIP3 2202 32.097 1.887 1.308 1.00 0.00 WT1 O ATOM 9323 H1 TIP3 2202 31.292 2.387 1.178 1.00 0.00 WT1 H ATOM 9324 H2 TIP3 2202 32.245 1.912 2.254 1.00 0.00 WT1 H ATOM 9325 OH2 TIP3 2203 83.732 83.252 12.681 1.00 0.00 WT1 O ATOM 9326 H1 TIP3 2203 83.120 82.759 13.227 1.00 0.00 WT1 H ATOM 9327 H2 TIP3 2203 83.178 83.698 12.041 1.00 0.00 WT1 H ATOM 9328 OH2 TIP3 2204 33.618 57.345 19.443 1.00 0.00 WT1 O ATOM 9329 H1 TIP3 2204 34.016 57.015 18.638 1.00 0.00 WT1 H ATOM 9330 H2 TIP3 2204 34.307 57.265 20.102 1.00 0.00 WT1 H ATOM 9331 OH2 TIP3 2205 22.362 15.591 -15.964 1.00 0.00 WT1 O ATOM 9332 H1 TIP3 2205 21.476 15.892 -15.763 1.00 0.00 WT1 H ATOM 9333 H2 TIP3 2205 22.932 16.281 -15.627 1.00 0.00 WT1 H ATOM 9334 OH2 TIP3 2206 35.460 89.620 60.837 1.00 0.00 WT1 O ATOM 9335 H1 TIP3 2206 34.586 90.000 60.931 1.00 0.00 WT1 H ATOM 9336 H2 TIP3 2206 35.825 90.047 60.062 1.00 0.00 WT1 H ATOM 9337 OH2 TIP3 2207 80.671 33.347 0.121 1.00 0.00 WT1 O ATOM 9338 H1 TIP3 2207 80.976 32.812 0.854 1.00 0.00 WT1 H ATOM 9339 H2 TIP3 2207 79.938 32.854 -0.247 1.00 0.00 WT1 H ATOM 9340 OH2 TIP3 2208 82.589 52.966 50.778 1.00 0.00 WT1 O ATOM 9341 H1 TIP3 2208 81.969 52.679 51.449 1.00 0.00 WT1 H ATOM 9342 H2 TIP3 2208 83.448 52.728 51.126 1.00 0.00 WT1 H ATOM 9343 OH2 TIP3 2209 21.020 67.893 51.455 1.00 0.00 WT1 O ATOM 9344 H1 TIP3 2209 21.221 67.658 50.549 1.00 0.00 WT1 H ATOM 9345 H2 TIP3 2209 20.419 68.635 51.383 1.00 0.00 WT1 H ATOM 9346 OH2 TIP3 2210 35.595 93.178 4.842 1.00 0.00 WT1 O ATOM 9347 H1 TIP3 2210 35.430 92.630 5.610 1.00 0.00 WT1 H ATOM 9348 H2 TIP3 2210 34.768 93.636 4.692 1.00 0.00 WT1 H ATOM 9349 OH2 TIP3 2211 82.800 10.220 7.563 1.00 0.00 WT1 O ATOM 9350 H1 TIP3 2211 82.828 9.478 6.958 1.00 0.00 WT1 H ATOM 9351 H2 TIP3 2211 83.208 10.939 7.080 1.00 0.00 WT1 H ATOM 9352 OH2 TIP3 2213 86.044 47.672 -6.160 1.00 0.00 WT1 O ATOM 9353 H1 TIP3 2213 85.427 48.184 -6.684 1.00 0.00 WT1 H ATOM 9354 H2 TIP3 2213 85.826 47.887 -5.254 1.00 0.00 WT1 H ATOM 9355 OH2 TIP3 2214 32.793 16.999 32.026 1.00 0.00 WT1 O ATOM 9356 H1 TIP3 2214 32.409 17.634 31.422 1.00 0.00 WT1 H ATOM 9357 H2 TIP3 2214 33.711 16.940 31.762 1.00 0.00 WT1 H ATOM 9358 OH2 TIP3 2215 89.402 26.598 -1.350 1.00 0.00 WT1 O ATOM 9359 H1 TIP3 2215 90.156 26.559 -1.938 1.00 0.00 WT1 H ATOM 9360 H2 TIP3 2215 89.746 26.984 -0.544 1.00 0.00 WT1 H ATOM 9361 OH2 TIP3 2216 36.981 62.196 10.314 1.00 0.00 WT1 O ATOM 9362 H1 TIP3 2216 37.733 62.530 10.802 1.00 0.00 WT1 H ATOM 9363 H2 TIP3 2216 37.346 61.521 9.742 1.00 0.00 WT1 H ATOM 9364 OH2 TIP3 2217 41.130 13.823 56.555 1.00 0.00 WT1 O ATOM 9365 H1 TIP3 2217 40.719 13.913 57.414 1.00 0.00 WT1 H ATOM 9366 H2 TIP3 2217 42.026 13.544 56.745 1.00 0.00 WT1 H ATOM 9367 OH2 TIP3 2218 54.024 92.942 -14.289 1.00 0.00 WT1 O ATOM 9368 H1 TIP3 2218 53.759 92.024 -14.356 1.00 0.00 WT1 H ATOM 9369 H2 TIP3 2218 54.253 93.059 -13.368 1.00 0.00 WT1 H ATOM 9370 OH2 TIP3 2219 53.958 17.238 27.882 1.00 0.00 WT1 O ATOM 9371 H1 TIP3 2219 53.055 17.445 28.126 1.00 0.00 WT1 H ATOM 9372 H2 TIP3 2219 54.361 18.089 27.712 1.00 0.00 WT1 H ATOM 9373 OH2 TIP3 2220 89.693 17.669 64.573 1.00 0.00 WT1 O ATOM 9374 H1 TIP3 2220 90.440 17.890 65.129 1.00 0.00 WT1 H ATOM 9375 H2 TIP3 2220 89.351 18.515 64.284 1.00 0.00 WT1 H ATOM 9376 OH2 TIP3 2221 24.424 74.301 41.145 1.00 0.00 WT1 O ATOM 9377 H1 TIP3 2221 25.051 75.013 41.271 1.00 0.00 WT1 H ATOM 9378 H2 TIP3 2221 24.839 73.726 40.502 1.00 0.00 WT1 H ATOM 9379 OH2 TIP3 2223 44.603 48.447 7.597 1.00 0.00 WT1 O ATOM 9380 H1 TIP3 2223 45.196 48.348 6.853 1.00 0.00 WT1 H ATOM 9381 H2 TIP3 2223 45.168 48.721 8.320 1.00 0.00 WT1 H ATOM 9382 OH2 TIP3 2224 29.945 0.638 30.398 1.00 0.00 WT1 O ATOM 9383 H1 TIP3 2224 30.859 0.645 30.113 1.00 0.00 WT1 H ATOM 9384 H2 TIP3 2224 29.562 1.416 29.992 1.00 0.00 WT1 H ATOM 9385 OH2 TIP3 2225 86.613 89.645 8.213 1.00 0.00 WT1 O ATOM 9386 H1 TIP3 2225 87.251 89.551 8.920 1.00 0.00 WT1 H ATOM 9387 H2 TIP3 2225 85.860 89.127 8.499 1.00 0.00 WT1 H ATOM 9388 OH2 TIP3 2226 47.222 8.283 38.560 1.00 0.00 WT1 O ATOM 9389 H1 TIP3 2226 46.872 7.511 38.115 1.00 0.00 WT1 H ATOM 9390 H2 TIP3 2226 48.150 8.086 38.686 1.00 0.00 WT1 H ATOM 9391 OH2 TIP3 2227 61.828 85.473 -13.533 1.00 0.00 WT1 O ATOM 9392 H1 TIP3 2227 61.497 85.827 -12.708 1.00 0.00 WT1 H ATOM 9393 H2 TIP3 2227 62.443 84.787 -13.270 1.00 0.00 WT1 H ATOM 9394 OH2 TIP3 2228 75.051 13.788 4.113 1.00 0.00 WT1 O ATOM 9395 H1 TIP3 2228 75.708 13.275 3.642 1.00 0.00 WT1 H ATOM 9396 H2 TIP3 2228 75.188 14.687 3.813 1.00 0.00 WT1 H ATOM 9397 OH2 TIP3 2229 76.828 84.097 8.918 1.00 0.00 WT1 O ATOM 9398 H1 TIP3 2229 76.691 83.377 8.303 1.00 0.00 WT1 H ATOM 9399 H2 TIP3 2229 76.281 83.878 9.672 1.00 0.00 WT1 H ATOM 9400 OH2 TIP3 2231 46.881 86.877 66.275 1.00 0.00 WT1 O ATOM 9401 H1 TIP3 2231 47.818 86.919 66.467 1.00 0.00 WT1 H ATOM 9402 H2 TIP3 2231 46.672 85.943 66.304 1.00 0.00 WT1 H ATOM 9403 OH2 TIP3 2232 40.341 12.777 52.160 1.00 0.00 WT1 O ATOM 9404 H1 TIP3 2232 40.517 13.591 52.632 1.00 0.00 WT1 H ATOM 9405 H2 TIP3 2232 41.130 12.626 51.640 1.00 0.00 WT1 H ATOM 9406 OH2 TIP3 2233 54.814 82.719 27.984 1.00 0.00 WT1 O ATOM 9407 H1 TIP3 2233 55.488 83.186 27.489 1.00 0.00 WT1 H ATOM 9408 H2 TIP3 2233 54.019 82.822 27.461 1.00 0.00 WT1 H ATOM 9409 OH2 TIP3 2234 81.468 7.415 -4.326 1.00 0.00 WT1 O ATOM 9410 H1 TIP3 2234 80.866 8.157 -4.284 1.00 0.00 WT1 H ATOM 9411 H2 TIP3 2234 82.255 7.718 -3.874 1.00 0.00 WT1 H ATOM 9412 OH2 TIP3 2235 84.424 91.524 45.742 1.00 0.00 WT1 O ATOM 9413 H1 TIP3 2235 85.063 92.060 46.211 1.00 0.00 WT1 H ATOM 9414 H2 TIP3 2235 83.828 92.158 45.341 1.00 0.00 WT1 H ATOM 9415 OH2 TIP3 2236 23.409 13.055 63.951 1.00 0.00 WT1 O ATOM 9416 H1 TIP3 2236 24.286 13.324 64.227 1.00 0.00 WT1 H ATOM 9417 H2 TIP3 2236 22.862 13.194 64.724 1.00 0.00 WT1 H ATOM 9418 OH2 TIP3 2237 59.678 2.616 -15.543 1.00 0.00 WT1 O ATOM 9419 H1 TIP3 2237 59.696 1.659 -15.532 1.00 0.00 WT1 H ATOM 9420 H2 TIP3 2237 60.598 2.874 -15.477 1.00 0.00 WT1 H ATOM 9421 OH2 TIP3 2238 33.345 1.692 56.532 1.00 0.00 WT1 O ATOM 9422 H1 TIP3 2238 32.789 1.050 56.972 1.00 0.00 WT1 H ATOM 9423 H2 TIP3 2238 32.878 1.901 55.724 1.00 0.00 WT1 H ATOM 9424 OH2 TIP3 2240 70.640 71.401 -5.256 1.00 0.00 WT1 O ATOM 9425 H1 TIP3 2240 71.075 70.717 -4.745 1.00 0.00 WT1 H ATOM 9426 H2 TIP3 2240 69.856 71.615 -4.750 1.00 0.00 WT1 H ATOM 9427 OH2 TIP3 2241 85.136 80.821 34.861 1.00 0.00 WT1 O ATOM 9428 H1 TIP3 2241 84.212 80.575 34.847 1.00 0.00 WT1 H ATOM 9429 H2 TIP3 2241 85.530 80.318 34.149 1.00 0.00 WT1 H ATOM 9430 OH2 TIP3 2242 68.182 36.954 7.311 1.00 0.00 WT1 O ATOM 9431 H1 TIP3 2242 68.782 37.664 7.083 1.00 0.00 WT1 H ATOM 9432 H2 TIP3 2242 67.310 37.315 7.153 1.00 0.00 WT1 H ATOM 9433 OH2 TIP3 2243 40.174 2.075 65.429 1.00 0.00 WT1 O ATOM 9434 H1 TIP3 2243 39.915 1.157 65.504 1.00 0.00 WT1 H ATOM 9435 H2 TIP3 2243 40.012 2.296 64.512 1.00 0.00 WT1 H ATOM 9436 OH2 TIP3 2244 87.729 4.809 9.460 1.00 0.00 WT1 O ATOM 9437 H1 TIP3 2244 88.684 4.866 9.434 1.00 0.00 WT1 H ATOM 9438 H2 TIP3 2244 87.430 5.698 9.266 1.00 0.00 WT1 H ATOM 9439 OH2 TIP3 2245 52.504 13.266 -17.649 1.00 0.00 WT1 O ATOM 9440 H1 TIP3 2245 52.884 12.781 -18.382 1.00 0.00 WT1 H ATOM 9441 H2 TIP3 2245 51.559 13.167 -17.760 1.00 0.00 WT1 H ATOM 9442 OH2 TIP3 2246 34.596 46.304 42.643 1.00 0.00 WT1 O ATOM 9443 H1 TIP3 2246 34.905 45.623 43.240 1.00 0.00 WT1 H ATOM 9444 H2 TIP3 2246 34.029 46.857 43.182 1.00 0.00 WT1 H ATOM 9445 OH2 TIP3 2247 62.684 75.757 -3.336 1.00 0.00 WT1 O ATOM 9446 H1 TIP3 2247 61.919 76.322 -3.443 1.00 0.00 WT1 H ATOM 9447 H2 TIP3 2247 62.358 74.875 -3.518 1.00 0.00 WT1 H ATOM 9448 OH2 TIP3 2248 87.261 88.874 0.798 1.00 0.00 WT1 O ATOM 9449 H1 TIP3 2248 87.722 89.596 1.224 1.00 0.00 WT1 H ATOM 9450 H2 TIP3 2248 86.335 89.052 0.960 1.00 0.00 WT1 H ATOM 9451 OH2 TIP3 2249 50.462 81.148 -18.276 1.00 0.00 WT1 O ATOM 9452 H1 TIP3 2249 50.649 80.997 -17.349 1.00 0.00 WT1 H ATOM 9453 H2 TIP3 2249 50.171 82.059 -18.317 1.00 0.00 WT1 H ATOM 9454 OH2 TIP3 2250 60.672 77.279 -17.105 1.00 0.00 WT1 O ATOM 9455 H1 TIP3 2250 61.060 77.897 -16.486 1.00 0.00 WT1 H ATOM 9456 H2 TIP3 2250 60.734 76.430 -16.668 1.00 0.00 WT1 H ATOM 9457 OH2 TIP3 2251 27.882 5.262 30.872 1.00 0.00 WT1 O ATOM 9458 H1 TIP3 2251 28.773 5.611 30.890 1.00 0.00 WT1 H ATOM 9459 H2 TIP3 2251 27.630 5.294 29.949 1.00 0.00 WT1 H ATOM 9460 OH2 TIP3 2252 34.525 36.339 66.457 1.00 0.00 WT1 O ATOM 9461 H1 TIP3 2252 35.207 36.012 65.869 1.00 0.00 WT1 H ATOM 9462 H2 TIP3 2252 34.328 35.598 67.030 1.00 0.00 WT1 H ATOM 9463 OH2 TIP3 2253 60.036 54.887 26.297 1.00 0.00 WT1 O ATOM 9464 H1 TIP3 2253 59.735 54.626 25.427 1.00 0.00 WT1 H ATOM 9465 H2 TIP3 2253 59.244 55.178 26.749 1.00 0.00 WT1 H ATOM 9466 OH2 TIP3 2254 86.810 95.947 60.986 1.00 0.00 WT1 O ATOM 9467 H1 TIP3 2254 86.347 96.773 61.123 1.00 0.00 WT1 H ATOM 9468 H2 TIP3 2254 87.724 96.147 61.189 1.00 0.00 WT1 H ATOM 9469 OH2 TIP3 2255 45.970 38.085 0.626 1.00 0.00 WT1 O ATOM 9470 H1 TIP3 2255 46.247 38.156 1.540 1.00 0.00 WT1 H ATOM 9471 H2 TIP3 2255 45.793 38.987 0.358 1.00 0.00 WT1 H ATOM 9472 OH2 TIP3 2256 86.481 77.779 55.693 1.00 0.00 WT1 O ATOM 9473 H1 TIP3 2256 86.305 78.719 55.729 1.00 0.00 WT1 H ATOM 9474 H2 TIP3 2256 85.933 77.406 56.384 1.00 0.00 WT1 H ATOM 9475 OH2 TIP3 2257 47.411 77.337 -2.719 1.00 0.00 WT1 O ATOM 9476 H1 TIP3 2257 47.425 76.868 -3.553 1.00 0.00 WT1 H ATOM 9477 H2 TIP3 2257 48.091 76.914 -2.194 1.00 0.00 WT1 H ATOM 9478 OH2 TIP3 2258 69.015 68.615 -9.616 1.00 0.00 WT1 O ATOM 9479 H1 TIP3 2258 68.320 67.976 -9.776 1.00 0.00 WT1 H ATOM 9480 H2 TIP3 2258 69.699 68.119 -9.166 1.00 0.00 WT1 H ATOM 9481 OH2 TIP3 2259 22.516 90.147 38.759 1.00 0.00 WT1 O ATOM 9482 H1 TIP3 2259 23.054 90.777 39.237 1.00 0.00 WT1 H ATOM 9483 H2 TIP3 2259 23.087 89.822 38.062 1.00 0.00 WT1 H ATOM 9484 OH2 TIP3 2260 30.062 40.793 2.142 1.00 0.00 WT1 O ATOM 9485 H1 TIP3 2260 30.409 41.682 2.216 1.00 0.00 WT1 H ATOM 9486 H2 TIP3 2260 29.931 40.664 1.203 1.00 0.00 WT1 H ATOM 9487 OH2 TIP3 2261 55.685 75.692 35.925 1.00 0.00 WT1 O ATOM 9488 H1 TIP3 2261 55.211 74.863 35.991 1.00 0.00 WT1 H ATOM 9489 H2 TIP3 2261 55.596 75.946 35.006 1.00 0.00 WT1 H ATOM 9490 OH2 TIP3 2263 64.106 19.575 46.615 1.00 0.00 WT1 O ATOM 9491 H1 TIP3 2263 63.951 20.519 46.578 1.00 0.00 WT1 H ATOM 9492 H2 TIP3 2263 63.673 19.230 45.835 1.00 0.00 WT1 H ATOM 9493 OH2 TIP3 2264 71.166 71.291 46.995 1.00 0.00 WT1 O ATOM 9494 H1 TIP3 2264 71.644 71.888 46.420 1.00 0.00 WT1 H ATOM 9495 H2 TIP3 2264 71.342 70.421 46.638 1.00 0.00 WT1 H ATOM 9496 OH2 TIP3 2265 63.365 10.628 -10.533 1.00 0.00 WT1 O ATOM 9497 H1 TIP3 2265 62.943 10.115 -11.222 1.00 0.00 WT1 H ATOM 9498 H2 TIP3 2265 62.647 11.098 -10.110 1.00 0.00 WT1 H ATOM 9499 OH2 TIP3 2266 39.864 92.453 -14.488 1.00 0.00 WT1 O ATOM 9500 H1 TIP3 2266 40.395 91.663 -14.589 1.00 0.00 WT1 H ATOM 9501 H2 TIP3 2266 38.999 92.204 -14.815 1.00 0.00 WT1 H ATOM 9502 OH2 TIP3 2267 28.691 71.729 33.239 1.00 0.00 WT1 O ATOM 9503 H1 TIP3 2267 28.548 71.630 34.180 1.00 0.00 WT1 H ATOM 9504 H2 TIP3 2267 29.572 71.383 33.092 1.00 0.00 WT1 H ATOM 9505 OH2 TIP3 2268 81.052 50.185 48.725 1.00 0.00 WT1 O ATOM 9506 H1 TIP3 2268 81.450 51.053 48.666 1.00 0.00 WT1 H ATOM 9507 H2 TIP3 2268 80.647 50.047 47.869 1.00 0.00 WT1 H ATOM 9508 OH2 TIP3 2269 78.515 18.455 35.793 1.00 0.00 WT1 O ATOM 9509 H1 TIP3 2269 79.418 18.219 36.001 1.00 0.00 WT1 H ATOM 9510 H2 TIP3 2269 78.023 17.642 35.900 1.00 0.00 WT1 H ATOM 9511 OH2 TIP3 2270 55.129 15.756 -14.585 1.00 0.00 WT1 O ATOM 9512 H1 TIP3 2270 54.841 15.345 -15.400 1.00 0.00 WT1 H ATOM 9513 H2 TIP3 2270 55.621 16.527 -14.867 1.00 0.00 WT1 H ATOM 9514 OH2 TIP3 2271 60.378 2.462 50.590 1.00 0.00 WT1 O ATOM 9515 H1 TIP3 2271 59.719 3.037 50.200 1.00 0.00 WT1 H ATOM 9516 H2 TIP3 2271 61.010 2.311 49.888 1.00 0.00 WT1 H ATOM 9517 OH2 TIP3 2272 64.239 38.808 32.337 1.00 0.00 WT1 O ATOM 9518 H1 TIP3 2272 64.712 39.612 32.550 1.00 0.00 WT1 H ATOM 9519 H2 TIP3 2272 63.326 39.004 32.549 1.00 0.00 WT1 H ATOM 9520 OH2 TIP3 2273 82.461 83.135 65.075 1.00 0.00 WT1 O ATOM 9521 H1 TIP3 2273 82.115 83.964 64.744 1.00 0.00 WT1 H ATOM 9522 H2 TIP3 2273 82.449 83.232 66.027 1.00 0.00 WT1 H ATOM 9523 OH2 TIP3 2274 81.497 43.298 41.985 1.00 0.00 WT1 O ATOM 9524 H1 TIP3 2274 80.666 43.521 42.404 1.00 0.00 WT1 H ATOM 9525 H2 TIP3 2274 81.257 43.053 41.091 1.00 0.00 WT1 H ATOM 9526 OH2 TIP3 2275 39.218 16.671 0.224 1.00 0.00 WT1 O ATOM 9527 H1 TIP3 2275 39.469 17.483 0.663 1.00 0.00 WT1 H ATOM 9528 H2 TIP3 2275 38.502 16.323 0.756 1.00 0.00 WT1 H ATOM 9529 OH2 TIP3 2276 53.452 32.359 60.110 1.00 0.00 WT1 O ATOM 9530 H1 TIP3 2276 53.531 32.255 59.162 1.00 0.00 WT1 H ATOM 9531 H2 TIP3 2276 52.510 32.434 60.265 1.00 0.00 WT1 H ATOM 9532 OH2 TIP3 2277 68.222 8.188 -10.406 1.00 0.00 WT1 O ATOM 9533 H1 TIP3 2277 68.370 7.732 -11.234 1.00 0.00 WT1 H ATOM 9534 H2 TIP3 2277 69.058 8.614 -10.214 1.00 0.00 WT1 H ATOM 9535 OH2 TIP3 2278 62.669 6.208 12.129 1.00 0.00 WT1 O ATOM 9536 H1 TIP3 2278 62.892 5.817 11.284 1.00 0.00 WT1 H ATOM 9537 H2 TIP3 2278 62.104 6.949 11.909 1.00 0.00 WT1 H ATOM 9538 OH2 TIP3 2279 24.127 20.783 20.642 1.00 0.00 WT1 O ATOM 9539 H1 TIP3 2279 23.743 20.271 19.930 1.00 0.00 WT1 H ATOM 9540 H2 TIP3 2279 24.782 20.202 21.029 1.00 0.00 WT1 H ATOM 9541 OH2 TIP3 2280 36.870 20.891 11.042 1.00 0.00 WT1 O ATOM 9542 H1 TIP3 2280 36.769 21.749 11.455 1.00 0.00 WT1 H ATOM 9543 H2 TIP3 2280 36.240 20.332 11.496 1.00 0.00 WT1 H ATOM 9544 OH2 TIP3 2281 70.161 30.427 47.909 1.00 0.00 WT1 O ATOM 9545 H1 TIP3 2281 69.575 30.091 47.231 1.00 0.00 WT1 H ATOM 9546 H2 TIP3 2281 69.592 30.936 48.487 1.00 0.00 WT1 H ATOM 9547 OH2 TIP3 2282 57.928 42.146 47.467 1.00 0.00 WT1 O ATOM 9548 H1 TIP3 2282 57.480 42.892 47.068 1.00 0.00 WT1 H ATOM 9549 H2 TIP3 2282 58.643 41.945 46.863 1.00 0.00 WT1 H ATOM 9550 OH2 TIP3 2283 33.342 23.222 8.751 1.00 0.00 WT1 O ATOM 9551 H1 TIP3 2283 34.235 23.545 8.876 1.00 0.00 WT1 H ATOM 9552 H2 TIP3 2283 32.792 23.849 9.219 1.00 0.00 WT1 H ATOM 9553 OH2 TIP3 2284 62.178 15.311 66.919 1.00 0.00 WT1 O ATOM 9554 H1 TIP3 2284 62.362 16.210 66.646 1.00 0.00 WT1 H ATOM 9555 H2 TIP3 2284 61.260 15.325 67.188 1.00 0.00 WT1 H ATOM 9556 OH2 TIP3 2285 55.838 65.309 58.179 1.00 0.00 WT1 O ATOM 9557 H1 TIP3 2285 56.537 65.962 58.128 1.00 0.00 WT1 H ATOM 9558 H2 TIP3 2285 56.245 64.554 58.603 1.00 0.00 WT1 H ATOM 9559 OH2 TIP3 2286 65.400 35.205 0.612 1.00 0.00 WT1 O ATOM 9560 H1 TIP3 2286 65.265 35.949 1.199 1.00 0.00 WT1 H ATOM 9561 H2 TIP3 2286 64.974 35.463 -0.205 1.00 0.00 WT1 H ATOM 9562 OH2 TIP3 2287 55.963 25.368 -18.501 1.00 0.00 WT1 O ATOM 9563 H1 TIP3 2287 55.891 26.194 -18.022 1.00 0.00 WT1 H ATOM 9564 H2 TIP3 2287 56.510 25.576 -19.258 1.00 0.00 WT1 H ATOM 9565 OH2 TIP3 2288 39.613 77.904 7.181 1.00 0.00 WT1 O ATOM 9566 H1 TIP3 2288 39.684 76.950 7.231 1.00 0.00 WT1 H ATOM 9567 H2 TIP3 2288 38.677 78.068 7.065 1.00 0.00 WT1 H ATOM 9568 OH2 TIP3 2289 70.185 21.582 34.656 1.00 0.00 WT1 O ATOM 9569 H1 TIP3 2289 70.018 21.031 33.891 1.00 0.00 WT1 H ATOM 9570 H2 TIP3 2289 69.912 22.458 34.385 1.00 0.00 WT1 H ATOM 9571 OH2 TIP3 2290 46.431 38.685 -14.918 1.00 0.00 WT1 O ATOM 9572 H1 TIP3 2290 46.708 37.826 -14.599 1.00 0.00 WT1 H ATOM 9573 H2 TIP3 2290 46.114 39.139 -14.138 1.00 0.00 WT1 H ATOM 9574 OH2 TIP3 2291 82.073 61.001 20.472 1.00 0.00 WT1 O ATOM 9575 H1 TIP3 2291 82.842 61.568 20.417 1.00 0.00 WT1 H ATOM 9576 H2 TIP3 2291 81.443 61.390 19.865 1.00 0.00 WT1 H ATOM 9577 OH2 TIP3 2292 37.216 1.860 3.703 1.00 0.00 WT1 O ATOM 9578 H1 TIP3 2292 37.924 1.382 4.134 1.00 0.00 WT1 H ATOM 9579 H2 TIP3 2292 37.608 2.194 2.896 1.00 0.00 WT1 H ATOM 9580 OH2 TIP3 2293 85.031 32.880 39.697 1.00 0.00 WT1 O ATOM 9581 H1 TIP3 2293 84.493 33.553 39.280 1.00 0.00 WT1 H ATOM 9582 H2 TIP3 2293 85.160 32.221 39.016 1.00 0.00 WT1 H ATOM 9583 OH2 TIP3 2294 76.204 26.268 23.309 1.00 0.00 WT1 O ATOM 9584 H1 TIP3 2294 75.954 26.087 22.403 1.00 0.00 WT1 H ATOM 9585 H2 TIP3 2294 77.127 26.518 23.258 1.00 0.00 WT1 H ATOM 9586 OH2 TIP3 2295 88.846 84.117 6.369 1.00 0.00 WT1 O ATOM 9587 H1 TIP3 2295 88.417 83.386 6.813 1.00 0.00 WT1 H ATOM 9588 H2 TIP3 2295 88.297 84.288 5.604 1.00 0.00 WT1 H ATOM 9589 OH2 TIP3 2296 53.007 38.164 5.231 1.00 0.00 WT1 O ATOM 9590 H1 TIP3 2296 53.711 37.813 5.776 1.00 0.00 WT1 H ATOM 9591 H2 TIP3 2296 53.454 38.543 4.475 1.00 0.00 WT1 H ATOM 9592 OH2 TIP3 2298 39.338 44.464 14.949 1.00 0.00 WT1 O ATOM 9593 H1 TIP3 2298 38.855 45.241 15.232 1.00 0.00 WT1 H ATOM 9594 H2 TIP3 2298 39.804 44.746 14.162 1.00 0.00 WT1 H ATOM 9595 OH2 TIP3 2299 48.020 41.087 -4.927 1.00 0.00 WT1 O ATOM 9596 H1 TIP3 2299 48.176 40.582 -4.129 1.00 0.00 WT1 H ATOM 9597 H2 TIP3 2299 48.745 41.711 -4.962 1.00 0.00 WT1 H ATOM 9598 OH2 TIP3 2300 25.626 47.387 16.667 1.00 0.00 WT1 O ATOM 9599 H1 TIP3 2300 25.948 47.275 17.562 1.00 0.00 WT1 H ATOM 9600 H2 TIP3 2300 24.884 47.987 16.753 1.00 0.00 WT1 H ATOM 9601 OH2 TIP3 2301 61.247 18.100 -4.619 1.00 0.00 WT1 O ATOM 9602 H1 TIP3 2301 61.217 17.279 -4.128 1.00 0.00 WT1 H ATOM 9603 H2 TIP3 2301 61.480 17.838 -5.510 1.00 0.00 WT1 H ATOM 9604 OH2 TIP3 2302 79.860 2.985 1.217 1.00 0.00 WT1 O ATOM 9605 H1 TIP3 2302 80.039 2.830 2.144 1.00 0.00 WT1 H ATOM 9606 H2 TIP3 2302 79.925 2.120 0.812 1.00 0.00 WT1 H ATOM 9607 OH2 TIP3 2303 33.687 85.223 41.508 1.00 0.00 WT1 O ATOM 9608 H1 TIP3 2303 34.269 85.575 40.835 1.00 0.00 WT1 H ATOM 9609 H2 TIP3 2303 34.159 84.470 41.864 1.00 0.00 WT1 H ATOM 9610 OH2 TIP3 2305 27.521 33.384 30.178 1.00 0.00 WT1 O ATOM 9611 H1 TIP3 2305 27.481 33.622 29.251 1.00 0.00 WT1 H ATOM 9612 H2 TIP3 2305 27.094 34.111 30.631 1.00 0.00 WT1 H ATOM 9613 OH2 TIP3 2306 62.607 14.615 -14.148 1.00 0.00 WT1 O ATOM 9614 H1 TIP3 2306 63.104 15.411 -14.341 1.00 0.00 WT1 H ATOM 9615 H2 TIP3 2306 62.400 14.682 -13.216 1.00 0.00 WT1 H ATOM 9616 OH2 TIP3 2307 61.102 11.262 -17.910 1.00 0.00 WT1 O ATOM 9617 H1 TIP3 2307 61.858 11.385 -18.483 1.00 0.00 WT1 H ATOM 9618 H2 TIP3 2307 61.356 10.545 -17.329 1.00 0.00 WT1 H ATOM 9619 OH2 TIP3 2308 54.259 12.711 -2.411 1.00 0.00 WT1 O ATOM 9620 H1 TIP3 2308 54.941 12.295 -1.884 1.00 0.00 WT1 H ATOM 9621 H2 TIP3 2308 54.703 13.440 -2.845 1.00 0.00 WT1 H ATOM 9622 OH2 TIP3 2309 37.208 83.779 36.609 1.00 0.00 WT1 O ATOM 9623 H1 TIP3 2309 37.336 83.059 37.226 1.00 0.00 WT1 H ATOM 9624 H2 TIP3 2309 37.944 83.709 36.001 1.00 0.00 WT1 H ATOM 9625 OH2 TIP3 2310 83.132 35.149 -3.711 1.00 0.00 WT1 O ATOM 9626 H1 TIP3 2310 83.881 35.721 -3.546 1.00 0.00 WT1 H ATOM 9627 H2 TIP3 2310 82.800 34.931 -2.841 1.00 0.00 WT1 H ATOM 9628 OH2 TIP3 2311 53.255 53.144 64.136 1.00 0.00 WT1 O ATOM 9629 H1 TIP3 2311 53.085 52.363 64.663 1.00 0.00 WT1 H ATOM 9630 H2 TIP3 2311 53.048 53.875 64.717 1.00 0.00 WT1 H ATOM 9631 OH2 TIP3 2313 85.061 72.496 49.351 1.00 0.00 WT1 O ATOM 9632 H1 TIP3 2313 84.585 71.722 49.654 1.00 0.00 WT1 H ATOM 9633 H2 TIP3 2313 84.538 73.236 49.659 1.00 0.00 WT1 H ATOM 9634 OH2 TIP3 2314 43.990 28.345 35.841 1.00 0.00 WT1 O ATOM 9635 H1 TIP3 2314 44.347 27.711 35.219 1.00 0.00 WT1 H ATOM 9636 H2 TIP3 2314 43.377 28.869 35.325 1.00 0.00 WT1 H ATOM 9637 OH2 TIP3 2315 72.153 8.056 39.920 1.00 0.00 WT1 O ATOM 9638 H1 TIP3 2315 72.116 7.256 40.445 1.00 0.00 WT1 H ATOM 9639 H2 TIP3 2315 73.076 8.310 39.935 1.00 0.00 WT1 H ATOM 9640 OH2 TIP3 2316 33.517 13.108 59.021 1.00 0.00 WT1 O ATOM 9641 H1 TIP3 2316 32.736 13.315 59.534 1.00 0.00 WT1 H ATOM 9642 H2 TIP3 2316 33.238 12.407 58.432 1.00 0.00 WT1 H ATOM 9643 OH2 TIP3 2317 64.509 83.455 23.784 1.00 0.00 WT1 O ATOM 9644 H1 TIP3 2317 63.859 82.763 23.658 1.00 0.00 WT1 H ATOM 9645 H2 TIP3 2317 65.126 83.092 24.419 1.00 0.00 WT1 H ATOM 9646 OH2 TIP3 2318 23.064 73.384 61.479 1.00 0.00 WT1 O ATOM 9647 H1 TIP3 2318 23.985 73.508 61.707 1.00 0.00 WT1 H ATOM 9648 H2 TIP3 2318 22.640 73.161 62.307 1.00 0.00 WT1 H ATOM 9649 OH2 TIP3 2319 20.333 89.295 40.948 1.00 0.00 WT1 O ATOM 9650 H1 TIP3 2319 19.518 89.090 40.489 1.00 0.00 WT1 H ATOM 9651 H2 TIP3 2319 21.017 89.175 40.289 1.00 0.00 WT1 H ATOM 9652 OH2 TIP3 2320 58.801 60.203 -15.945 1.00 0.00 WT1 O ATOM 9653 H1 TIP3 2320 58.467 60.893 -15.371 1.00 0.00 WT1 H ATOM 9654 H2 TIP3 2320 58.509 59.388 -15.536 1.00 0.00 WT1 H ATOM 9655 OH2 TIP3 2321 58.979 50.308 35.196 1.00 0.00 WT1 O ATOM 9656 H1 TIP3 2321 59.188 51.153 34.797 1.00 0.00 WT1 H ATOM 9657 H2 TIP3 2321 58.578 49.802 34.489 1.00 0.00 WT1 H ATOM 9658 OH2 TIP3 2322 72.411 42.898 65.998 1.00 0.00 WT1 O ATOM 9659 H1 TIP3 2322 71.716 43.464 65.663 1.00 0.00 WT1 H ATOM 9660 H2 TIP3 2322 71.958 42.269 66.559 1.00 0.00 WT1 H ATOM 9661 OH2 TIP3 2323 46.915 59.884 -10.190 1.00 0.00 WT1 O ATOM 9662 H1 TIP3 2323 46.702 58.963 -10.036 1.00 0.00 WT1 H ATOM 9663 H2 TIP3 2323 46.495 60.351 -9.468 1.00 0.00 WT1 H ATOM 9664 OH2 TIP3 2324 28.511 1.610 33.625 1.00 0.00 WT1 O ATOM 9665 H1 TIP3 2324 27.925 2.256 33.229 1.00 0.00 WT1 H ATOM 9666 H2 TIP3 2324 28.477 1.800 34.563 1.00 0.00 WT1 H ATOM 9667 OH2 TIP3 2326 44.631 74.619 -4.694 1.00 0.00 WT1 O ATOM 9668 H1 TIP3 2326 44.080 74.945 -3.983 1.00 0.00 WT1 H ATOM 9669 H2 TIP3 2326 44.976 73.787 -4.368 1.00 0.00 WT1 H ATOM 9670 OH2 TIP3 2327 65.752 1.980 41.107 1.00 0.00 WT1 O ATOM 9671 H1 TIP3 2327 65.667 1.424 40.333 1.00 0.00 WT1 H ATOM 9672 H2 TIP3 2327 64.867 2.029 41.466 1.00 0.00 WT1 H ATOM 9673 OH2 TIP3 2329 43.890 78.438 46.084 1.00 0.00 WT1 O ATOM 9674 H1 TIP3 2329 43.657 79.350 45.906 1.00 0.00 WT1 H ATOM 9675 H2 TIP3 2329 43.539 78.267 46.957 1.00 0.00 WT1 H ATOM 9676 OH2 TIP3 2330 75.406 21.800 -11.154 1.00 0.00 WT1 O ATOM 9677 H1 TIP3 2330 74.899 21.564 -10.377 1.00 0.00 WT1 H ATOM 9678 H2 TIP3 2330 74.997 21.308 -11.866 1.00 0.00 WT1 H ATOM 9679 OH2 TIP3 2331 42.350 88.102 60.881 1.00 0.00 WT1 O ATOM 9680 H1 TIP3 2331 42.866 87.342 61.153 1.00 0.00 WT1 H ATOM 9681 H2 TIP3 2331 42.573 88.783 61.516 1.00 0.00 WT1 H ATOM 9682 OH2 TIP3 2332 54.596 30.589 66.058 1.00 0.00 WT1 O ATOM 9683 H1 TIP3 2332 55.378 30.521 65.510 1.00 0.00 WT1 H ATOM 9684 H2 TIP3 2332 54.247 29.698 66.088 1.00 0.00 WT1 H ATOM 9685 OH2 TIP3 2333 54.397 47.792 62.440 1.00 0.00 WT1 O ATOM 9686 H1 TIP3 2333 55.320 47.832 62.190 1.00 0.00 WT1 H ATOM 9687 H2 TIP3 2333 54.369 48.176 63.316 1.00 0.00 WT1 H ATOM 9688 OH2 TIP3 2334 61.981 7.265 61.600 1.00 0.00 WT1 O ATOM 9689 H1 TIP3 2334 61.234 7.367 61.010 1.00 0.00 WT1 H ATOM 9690 H2 TIP3 2334 61.645 7.517 62.460 1.00 0.00 WT1 H ATOM 9691 OH2 TIP3 2335 28.857 27.141 -3.462 1.00 0.00 WT1 O ATOM 9692 H1 TIP3 2335 29.075 27.895 -2.913 1.00 0.00 WT1 H ATOM 9693 H2 TIP3 2335 28.835 27.492 -4.352 1.00 0.00 WT1 H ATOM 9694 OH2 TIP3 2336 53.984 17.132 49.447 1.00 0.00 WT1 O ATOM 9695 H1 TIP3 2336 54.177 16.229 49.196 1.00 0.00 WT1 H ATOM 9696 H2 TIP3 2336 53.188 17.070 49.975 1.00 0.00 WT1 H ATOM 9697 OH2 TIP3 2337 52.737 44.163 21.491 1.00 0.00 WT1 O ATOM 9698 H1 TIP3 2337 53.674 44.297 21.344 1.00 0.00 WT1 H ATOM 9699 H2 TIP3 2337 52.310 44.717 20.838 1.00 0.00 WT1 H ATOM 9700 OH2 TIP3 2338 71.013 34.671 56.619 1.00 0.00 WT1 O ATOM 9701 H1 TIP3 2338 70.118 34.525 56.311 1.00 0.00 WT1 H ATOM 9702 H2 TIP3 2338 71.558 34.152 56.028 1.00 0.00 WT1 H ATOM 9703 OH2 TIP3 2339 63.121 42.962 1.534 1.00 0.00 WT1 O ATOM 9704 H1 TIP3 2339 62.604 43.185 2.308 1.00 0.00 WT1 H ATOM 9705 H2 TIP3 2339 63.627 43.753 1.347 1.00 0.00 WT1 H ATOM 9706 OH2 TIP3 2340 63.910 22.075 14.780 1.00 0.00 WT1 O ATOM 9707 H1 TIP3 2340 63.096 22.211 14.294 1.00 0.00 WT1 H ATOM 9708 H2 TIP3 2340 63.701 22.341 15.676 1.00 0.00 WT1 H ATOM 9709 OH2 TIP3 2341 46.632 55.336 -6.752 1.00 0.00 WT1 O ATOM 9710 H1 TIP3 2341 46.908 55.000 -5.899 1.00 0.00 WT1 H ATOM 9711 H2 TIP3 2341 47.275 56.013 -6.962 1.00 0.00 WT1 H ATOM 9712 OH2 TIP3 2342 90.176 13.753 60.490 1.00 0.00 WT1 O ATOM 9713 H1 TIP3 2342 90.461 14.640 60.707 1.00 0.00 WT1 H ATOM 9714 H2 TIP3 2342 90.570 13.202 61.166 1.00 0.00 WT1 H ATOM 9715 OH2 TIP3 2344 64.287 0.364 66.605 1.00 0.00 WT1 O ATOM 9716 H1 TIP3 2344 63.880 -0.375 67.057 1.00 0.00 WT1 H ATOM 9717 H2 TIP3 2344 64.479 0.994 67.300 1.00 0.00 WT1 H ATOM 9718 OH2 TIP3 2345 71.096 43.468 51.829 1.00 0.00 WT1 O ATOM 9719 H1 TIP3 2345 71.705 44.069 52.258 1.00 0.00 WT1 H ATOM 9720 H2 TIP3 2345 71.222 42.635 52.282 1.00 0.00 WT1 H ATOM 9721 OH2 TIP3 2346 27.544 12.043 66.503 1.00 0.00 WT1 O ATOM 9722 H1 TIP3 2346 26.983 12.325 67.225 1.00 0.00 WT1 H ATOM 9723 H2 TIP3 2346 28.057 11.320 66.865 1.00 0.00 WT1 H ATOM 9724 OH2 TIP3 2347 45.600 18.159 44.870 1.00 0.00 WT1 O ATOM 9725 H1 TIP3 2347 46.222 18.243 44.147 1.00 0.00 WT1 H ATOM 9726 H2 TIP3 2347 45.648 18.999 45.327 1.00 0.00 WT1 H ATOM 9727 OH2 TIP3 2348 74.787 7.662 -15.632 1.00 0.00 WT1 O ATOM 9728 H1 TIP3 2348 75.564 7.641 -15.074 1.00 0.00 WT1 H ATOM 9729 H2 TIP3 2348 74.910 6.935 -16.242 1.00 0.00 WT1 H ATOM 9730 OH2 TIP3 2349 45.524 82.771 38.887 1.00 0.00 WT1 O ATOM 9731 H1 TIP3 2349 46.368 82.322 38.929 1.00 0.00 WT1 H ATOM 9732 H2 TIP3 2349 45.052 82.330 38.181 1.00 0.00 WT1 H ATOM 9733 OH2 TIP3 2350 69.207 93.320 61.881 1.00 0.00 WT1 O ATOM 9734 H1 TIP3 2350 69.189 93.900 62.643 1.00 0.00 WT1 H ATOM 9735 H2 TIP3 2350 69.996 92.791 62.001 1.00 0.00 WT1 H ATOM 9736 OH2 TIP3 2351 88.590 22.591 63.133 1.00 0.00 WT1 O ATOM 9737 H1 TIP3 2351 88.023 22.964 63.808 1.00 0.00 WT1 H ATOM 9738 H2 TIP3 2351 88.218 22.904 62.308 1.00 0.00 WT1 H ATOM 9739 OH2 TIP3 2352 52.708 20.071 57.990 1.00 0.00 WT1 O ATOM 9740 H1 TIP3 2352 52.097 19.958 57.262 1.00 0.00 WT1 H ATOM 9741 H2 TIP3 2352 53.248 20.819 57.737 1.00 0.00 WT1 H ATOM 9742 OH2 TIP3 2353 50.528 7.902 42.468 1.00 0.00 WT1 O ATOM 9743 H1 TIP3 2353 49.885 7.288 42.113 1.00 0.00 WT1 H ATOM 9744 H2 TIP3 2353 51.050 8.166 41.710 1.00 0.00 WT1 H ATOM 9745 OH2 TIP3 2354 67.349 71.911 12.533 1.00 0.00 WT1 O ATOM 9746 H1 TIP3 2354 66.513 71.616 12.893 1.00 0.00 WT1 H ATOM 9747 H2 TIP3 2354 67.574 71.250 11.878 1.00 0.00 WT1 H ATOM 9748 OH2 TIP3 2355 62.697 55.329 24.469 1.00 0.00 WT1 O ATOM 9749 H1 TIP3 2355 62.698 54.656 23.788 1.00 0.00 WT1 H ATOM 9750 H2 TIP3 2355 61.784 55.611 24.525 1.00 0.00 WT1 H ATOM 9751 OH2 TIP3 2356 62.877 92.694 33.666 1.00 0.00 WT1 O ATOM 9752 H1 TIP3 2356 62.390 92.576 34.482 1.00 0.00 WT1 H ATOM 9753 H2 TIP3 2356 63.236 91.828 33.473 1.00 0.00 WT1 H ATOM 9754 OH2 TIP3 2357 65.249 78.125 -7.733 1.00 0.00 WT1 O ATOM 9755 H1 TIP3 2357 66.045 78.322 -7.240 1.00 0.00 WT1 H ATOM 9756 H2 TIP3 2357 65.268 77.175 -7.852 1.00 0.00 WT1 H ATOM 9757 OH2 TIP3 2358 72.659 67.826 43.374 1.00 0.00 WT1 O ATOM 9758 H1 TIP3 2358 73.473 67.771 43.874 1.00 0.00 WT1 H ATOM 9759 H2 TIP3 2358 72.165 67.048 43.633 1.00 0.00 WT1 H ATOM 9760 OH2 TIP3 2359 50.050 43.618 -8.887 1.00 0.00 WT1 O ATOM 9761 H1 TIP3 2359 50.423 44.069 -9.645 1.00 0.00 WT1 H ATOM 9762 H2 TIP3 2359 50.767 43.579 -8.254 1.00 0.00 WT1 H ATOM 9763 OH2 TIP3 2360 26.092 88.927 12.193 1.00 0.00 WT1 O ATOM 9764 H1 TIP3 2360 26.474 89.171 11.350 1.00 0.00 WT1 H ATOM 9765 H2 TIP3 2360 26.730 88.330 12.583 1.00 0.00 WT1 H ATOM 9766 OH2 TIP3 2361 25.382 4.219 -19.052 1.00 0.00 WT1 O ATOM 9767 H1 TIP3 2361 25.216 3.352 -18.682 1.00 0.00 WT1 H ATOM 9768 H2 TIP3 2361 25.686 4.045 -19.943 1.00 0.00 WT1 H ATOM 9769 OH2 TIP3 2362 61.467 63.464 -12.343 1.00 0.00 WT1 O ATOM 9770 H1 TIP3 2362 61.065 62.710 -11.911 1.00 0.00 WT1 H ATOM 9771 H2 TIP3 2362 61.445 64.157 -11.684 1.00 0.00 WT1 H ATOM 9772 OH2 TIP3 2363 74.190 35.253 -13.747 1.00 0.00 WT1 O ATOM 9773 H1 TIP3 2363 74.690 35.682 -14.442 1.00 0.00 WT1 H ATOM 9774 H2 TIP3 2363 73.940 35.964 -13.157 1.00 0.00 WT1 H ATOM 9775 OH2 TIP3 2367 37.063 10.129 24.064 1.00 0.00 WT1 O ATOM 9776 H1 TIP3 2367 37.073 11.082 23.972 1.00 0.00 WT1 H ATOM 9777 H2 TIP3 2367 37.959 9.903 24.314 1.00 0.00 WT1 H ATOM 9778 OH2 TIP3 2369 36.332 59.508 42.276 1.00 0.00 WT1 O ATOM 9779 H1 TIP3 2369 37.260 59.521 42.040 1.00 0.00 WT1 H ATOM 9780 H2 TIP3 2369 36.091 60.431 42.353 1.00 0.00 WT1 H ATOM 9781 OH2 TIP3 2370 86.387 48.844 19.130 1.00 0.00 WT1 O ATOM 9782 H1 TIP3 2370 86.495 49.763 19.374 1.00 0.00 WT1 H ATOM 9783 H2 TIP3 2370 86.454 48.840 18.175 1.00 0.00 WT1 H ATOM 9784 OH2 TIP3 2371 37.006 38.715 45.434 1.00 0.00 WT1 O ATOM 9785 H1 TIP3 2371 36.763 38.932 44.534 1.00 0.00 WT1 H ATOM 9786 H2 TIP3 2371 37.200 37.778 45.411 1.00 0.00 WT1 H ATOM 9787 OH2 TIP3 2372 86.500 33.976 -19.752 1.00 0.00 WT1 O ATOM 9788 H1 TIP3 2372 87.141 34.040 -19.044 1.00 0.00 WT1 H ATOM 9789 H2 TIP3 2372 86.398 34.875 -20.065 1.00 0.00 WT1 H ATOM 9790 OH2 TIP3 2373 48.765 45.495 35.533 1.00 0.00 WT1 O ATOM 9791 H1 TIP3 2373 49.231 45.993 34.861 1.00 0.00 WT1 H ATOM 9792 H2 TIP3 2373 48.246 44.857 35.042 1.00 0.00 WT1 H ATOM 9793 OH2 TIP3 2374 45.002 17.217 19.446 1.00 0.00 WT1 O ATOM 9794 H1 TIP3 2374 45.682 17.890 19.434 1.00 0.00 WT1 H ATOM 9795 H2 TIP3 2374 44.187 17.697 19.294 1.00 0.00 WT1 H ATOM 9796 OH2 TIP3 2375 53.268 4.695 40.733 1.00 0.00 WT1 O ATOM 9797 H1 TIP3 2375 54.039 5.143 41.081 1.00 0.00 WT1 H ATOM 9798 H2 TIP3 2375 52.555 4.955 41.316 1.00 0.00 WT1 H ATOM 9799 OH2 TIP3 2376 86.188 62.940 -19.969 1.00 0.00 WT1 O ATOM 9800 H1 TIP3 2376 86.403 63.741 -20.447 1.00 0.00 WT1 H ATOM 9801 H2 TIP3 2376 85.476 63.195 -19.382 1.00 0.00 WT1 H ATOM 9802 OH2 TIP3 2377 62.722 95.200 31.757 1.00 0.00 WT1 O ATOM 9803 H1 TIP3 2377 62.242 95.416 30.957 1.00 0.00 WT1 H ATOM 9804 H2 TIP3 2377 62.276 94.427 32.103 1.00 0.00 WT1 H ATOM 9805 OH2 TIP3 2379 57.637 3.867 -17.607 1.00 0.00 WT1 O ATOM 9806 H1 TIP3 2379 57.804 4.056 -18.531 1.00 0.00 WT1 H ATOM 9807 H2 TIP3 2379 58.381 3.331 -17.334 1.00 0.00 WT1 H ATOM 9808 OH2 TIP3 2380 43.304 11.698 -12.781 1.00 0.00 WT1 O ATOM 9809 H1 TIP3 2380 44.148 11.251 -12.709 1.00 0.00 WT1 H ATOM 9810 H2 TIP3 2380 43.141 12.045 -11.904 1.00 0.00 WT1 H ATOM 9811 OH2 TIP3 2381 46.478 15.081 6.614 1.00 0.00 WT1 O ATOM 9812 H1 TIP3 2381 46.749 14.369 7.194 1.00 0.00 WT1 H ATOM 9813 H2 TIP3 2381 46.787 14.815 5.748 1.00 0.00 WT1 H ATOM 9814 OH2 TIP3 2382 78.391 0.258 38.202 1.00 0.00 WT1 O ATOM 9815 H1 TIP3 2382 77.769 0.215 37.476 1.00 0.00 WT1 H ATOM 9816 H2 TIP3 2382 78.034 -0.338 38.860 1.00 0.00 WT1 H ATOM 9817 OH2 TIP3 2383 54.619 83.436 43.950 1.00 0.00 WT1 O ATOM 9818 H1 TIP3 2383 54.678 84.220 43.404 1.00 0.00 WT1 H ATOM 9819 H2 TIP3 2383 55.172 82.792 43.507 1.00 0.00 WT1 H ATOM 9820 OH2 TIP3 2384 78.593 82.122 41.946 1.00 0.00 WT1 O ATOM 9821 H1 TIP3 2384 78.542 82.852 42.563 1.00 0.00 WT1 H ATOM 9822 H2 TIP3 2384 78.618 81.341 42.499 1.00 0.00 WT1 H ATOM 9823 OH2 TIP3 2385 29.745 96.715 -11.589 1.00 0.00 WT1 O ATOM 9824 H1 TIP3 2385 30.657 96.570 -11.337 1.00 0.00 WT1 H ATOM 9825 H2 TIP3 2385 29.454 95.872 -11.935 1.00 0.00 WT1 H ATOM 9826 OH2 TIP3 2386 55.368 74.223 60.186 1.00 0.00 WT1 O ATOM 9827 H1 TIP3 2386 54.829 74.577 60.894 1.00 0.00 WT1 H ATOM 9828 H2 TIP3 2386 55.589 73.337 60.473 1.00 0.00 WT1 H ATOM 9829 OH2 TIP3 2387 81.583 23.108 41.887 1.00 0.00 WT1 O ATOM 9830 H1 TIP3 2387 81.830 23.919 41.442 1.00 0.00 WT1 H ATOM 9831 H2 TIP3 2387 80.700 23.274 42.218 1.00 0.00 WT1 H ATOM 9832 OH2 TIP3 2389 26.292 89.623 41.338 1.00 0.00 WT1 O ATOM 9833 H1 TIP3 2389 26.928 89.856 42.014 1.00 0.00 WT1 H ATOM 9834 H2 TIP3 2389 26.150 88.683 41.456 1.00 0.00 WT1 H ATOM 9835 OH2 TIP3 2390 90.403 54.256 49.819 1.00 0.00 WT1 O ATOM 9836 H1 TIP3 2390 89.685 53.967 49.255 1.00 0.00 WT1 H ATOM 9837 H2 TIP3 2390 91.195 54.061 49.318 1.00 0.00 WT1 H ATOM 9838 OH2 TIP3 2391 57.500 42.528 40.368 1.00 0.00 WT1 O ATOM 9839 H1 TIP3 2391 57.933 43.380 40.424 1.00 0.00 WT1 H ATOM 9840 H2 TIP3 2391 56.565 42.732 40.389 1.00 0.00 WT1 H ATOM 9841 OH2 TIP3 2392 71.873 29.876 30.000 1.00 0.00 WT1 O ATOM 9842 H1 TIP3 2392 71.646 29.786 29.074 1.00 0.00 WT1 H ATOM 9843 H2 TIP3 2392 72.399 30.675 30.041 1.00 0.00 WT1 H ATOM 9844 OH2 TIP3 2393 75.128 95.746 39.348 1.00 0.00 WT1 O ATOM 9845 H1 TIP3 2393 74.803 96.582 39.012 1.00 0.00 WT1 H ATOM 9846 H2 TIP3 2393 74.458 95.460 39.969 1.00 0.00 WT1 H ATOM 9847 OH2 TIP3 2394 89.423 74.240 54.956 1.00 0.00 WT1 O ATOM 9848 H1 TIP3 2394 89.727 74.334 54.054 1.00 0.00 WT1 H ATOM 9849 H2 TIP3 2394 90.085 74.690 55.481 1.00 0.00 WT1 H ATOM 9850 OH2 TIP3 2395 28.436 44.935 34.146 1.00 0.00 WT1 O ATOM 9851 H1 TIP3 2395 27.534 44.669 33.967 1.00 0.00 WT1 H ATOM 9852 H2 TIP3 2395 28.971 44.317 33.648 1.00 0.00 WT1 H ATOM 9853 OH2 TIP3 2396 21.998 61.575 -5.027 1.00 0.00 WT1 O ATOM 9854 H1 TIP3 2396 21.953 61.310 -4.109 1.00 0.00 WT1 H ATOM 9855 H2 TIP3 2396 21.084 61.661 -5.297 1.00 0.00 WT1 H ATOM 9856 OH2 TIP3 2397 70.117 32.471 65.122 1.00 0.00 WT1 O ATOM 9857 H1 TIP3 2397 69.863 33.394 65.148 1.00 0.00 WT1 H ATOM 9858 H2 TIP3 2397 70.912 32.426 65.652 1.00 0.00 WT1 H ATOM 9859 OH2 TIP3 2398 55.594 12.602 -6.539 1.00 0.00 WT1 O ATOM 9860 H1 TIP3 2398 55.740 12.012 -5.801 1.00 0.00 WT1 H ATOM 9861 H2 TIP3 2398 55.147 12.064 -7.192 1.00 0.00 WT1 H ATOM 9862 OH2 TIP3 2399 72.944 52.689 18.346 1.00 0.00 WT1 O ATOM 9863 H1 TIP3 2399 72.814 53.124 17.504 1.00 0.00 WT1 H ATOM 9864 H2 TIP3 2399 72.067 52.635 18.727 1.00 0.00 WT1 H ATOM 9865 OH2 TIP3 2400 32.987 59.465 -8.882 1.00 0.00 WT1 O ATOM 9866 H1 TIP3 2400 32.288 59.458 -8.228 1.00 0.00 WT1 H ATOM 9867 H2 TIP3 2400 33.465 58.649 -8.730 1.00 0.00 WT1 H ATOM 9868 OH2 TIP3 2401 45.470 1.375 -12.161 1.00 0.00 WT1 O ATOM 9869 H1 TIP3 2401 45.122 2.014 -11.539 1.00 0.00 WT1 H ATOM 9870 H2 TIP3 2401 45.402 1.808 -13.012 1.00 0.00 WT1 H ATOM 9871 OH2 TIP3 2402 81.127 39.014 -6.868 1.00 0.00 WT1 O ATOM 9872 H1 TIP3 2402 80.932 39.793 -6.347 1.00 0.00 WT1 H ATOM 9873 H2 TIP3 2402 81.706 38.492 -6.313 1.00 0.00 WT1 H ATOM 9874 OH2 TIP3 2403 44.401 37.574 33.060 1.00 0.00 WT1 O ATOM 9875 H1 TIP3 2403 45.117 37.545 32.425 1.00 0.00 WT1 H ATOM 9876 H2 TIP3 2403 43.688 37.094 32.640 1.00 0.00 WT1 H ATOM 9877 OH2 TIP3 2404 48.449 38.649 3.101 1.00 0.00 WT1 O ATOM 9878 H1 TIP3 2404 49.121 38.792 3.768 1.00 0.00 WT1 H ATOM 9879 H2 TIP3 2404 47.775 38.136 3.547 1.00 0.00 WT1 H ATOM 9880 OH2 TIP3 2405 39.651 6.782 51.187 1.00 0.00 WT1 O ATOM 9881 H1 TIP3 2405 40.131 6.103 50.714 1.00 0.00 WT1 H ATOM 9882 H2 TIP3 2405 40.317 7.227 51.710 1.00 0.00 WT1 H ATOM 9883 OH2 TIP3 2406 55.658 35.752 -17.073 1.00 0.00 WT1 O ATOM 9884 H1 TIP3 2406 55.230 35.543 -17.903 1.00 0.00 WT1 H ATOM 9885 H2 TIP3 2406 55.141 35.289 -16.414 1.00 0.00 WT1 H ATOM 9886 OH2 TIP3 2407 28.441 20.880 3.665 1.00 0.00 WT1 O ATOM 9887 H1 TIP3 2407 28.971 21.673 3.743 1.00 0.00 WT1 H ATOM 9888 H2 TIP3 2407 27.550 21.201 3.523 1.00 0.00 WT1 H ATOM 9889 OH2 TIP3 2408 52.526 18.830 31.149 1.00 0.00 WT1 O ATOM 9890 H1 TIP3 2408 52.395 18.488 30.265 1.00 0.00 WT1 H ATOM 9891 H2 TIP3 2408 53.167 19.533 31.042 1.00 0.00 WT1 H ATOM 9892 OH2 TIP3 2409 73.581 12.889 61.406 1.00 0.00 WT1 O ATOM 9893 H1 TIP3 2409 73.128 12.440 62.120 1.00 0.00 WT1 H ATOM 9894 H2 TIP3 2409 73.695 12.216 60.734 1.00 0.00 WT1 H ATOM 9895 OH2 TIP3 2410 85.859 42.707 -2.984 1.00 0.00 WT1 O ATOM 9896 H1 TIP3 2410 86.606 42.144 -3.186 1.00 0.00 WT1 H ATOM 9897 H2 TIP3 2410 85.232 42.536 -3.686 1.00 0.00 WT1 H ATOM 9898 OH2 TIP3 2411 69.548 25.163 31.595 1.00 0.00 WT1 O ATOM 9899 H1 TIP3 2411 68.939 25.068 30.862 1.00 0.00 WT1 H ATOM 9900 H2 TIP3 2411 70.241 25.731 31.259 1.00 0.00 WT1 H ATOM 9901 OH2 TIP3 2412 38.402 11.845 4.017 1.00 0.00 WT1 O ATOM 9902 H1 TIP3 2412 38.183 11.006 3.612 1.00 0.00 WT1 H ATOM 9903 H2 TIP3 2412 37.771 11.939 4.731 1.00 0.00 WT1 H ATOM 9904 OH2 TIP3 2413 30.418 24.773 53.469 1.00 0.00 WT1 O ATOM 9905 H1 TIP3 2413 29.938 25.400 52.927 1.00 0.00 WT1 H ATOM 9906 H2 TIP3 2413 29.969 23.940 53.325 1.00 0.00 WT1 H ATOM 9907 OH2 TIP3 2414 45.687 73.517 -15.877 1.00 0.00 WT1 O ATOM 9908 H1 TIP3 2414 46.010 73.006 -16.619 1.00 0.00 WT1 H ATOM 9909 H2 TIP3 2414 45.011 74.082 -16.251 1.00 0.00 WT1 H ATOM 9910 OH2 TIP3 2415 86.309 52.554 10.009 1.00 0.00 WT1 O ATOM 9911 H1 TIP3 2415 86.471 53.455 9.729 1.00 0.00 WT1 H ATOM 9912 H2 TIP3 2415 86.993 52.377 10.654 1.00 0.00 WT1 H ATOM 9913 OH2 TIP3 2416 86.589 41.742 -9.074 1.00 0.00 WT1 O ATOM 9914 H1 TIP3 2416 86.541 42.526 -8.528 1.00 0.00 WT1 H ATOM 9915 H2 TIP3 2416 86.225 42.014 -9.917 1.00 0.00 WT1 H ATOM 9916 OH2 TIP3 2417 62.091 8.984 65.620 1.00 0.00 WT1 O ATOM 9917 H1 TIP3 2417 61.895 9.883 65.881 1.00 0.00 WT1 H ATOM 9918 H2 TIP3 2417 61.448 8.786 64.939 1.00 0.00 WT1 H ATOM 9919 OH2 TIP3 2418 77.576 24.258 -14.569 1.00 0.00 WT1 O ATOM 9920 H1 TIP3 2418 77.901 25.154 -14.479 1.00 0.00 WT1 H ATOM 9921 H2 TIP3 2418 78.340 23.707 -14.398 1.00 0.00 WT1 H ATOM 9922 OH2 TIP3 2419 26.567 44.277 42.682 1.00 0.00 WT1 O ATOM 9923 H1 TIP3 2419 26.171 43.534 42.227 1.00 0.00 WT1 H ATOM 9924 H2 TIP3 2419 25.947 44.994 42.555 1.00 0.00 WT1 H ATOM 9925 OH2 TIP3 2420 72.067 42.560 -4.683 1.00 0.00 WT1 O ATOM 9926 H1 TIP3 2420 71.890 42.375 -3.760 1.00 0.00 WT1 H ATOM 9927 H2 TIP3 2420 72.825 42.016 -4.896 1.00 0.00 WT1 H ATOM 9928 OH2 TIP3 2421 68.243 46.443 42.694 1.00 0.00 WT1 O ATOM 9929 H1 TIP3 2421 68.807 45.674 42.614 1.00 0.00 WT1 H ATOM 9930 H2 TIP3 2421 68.422 46.955 41.905 1.00 0.00 WT1 H ATOM 9931 OH2 TIP3 2422 41.851 91.549 32.521 1.00 0.00 WT1 O ATOM 9932 H1 TIP3 2422 42.147 92.436 32.724 1.00 0.00 WT1 H ATOM 9933 H2 TIP3 2422 41.308 91.650 31.739 1.00 0.00 WT1 H ATOM 9934 OH2 TIP3 2423 41.524 60.826 7.440 1.00 0.00 WT1 O ATOM 9935 H1 TIP3 2423 41.800 59.910 7.410 1.00 0.00 WT1 H ATOM 9936 H2 TIP3 2423 42.264 61.288 7.834 1.00 0.00 WT1 H ATOM 9937 OH2 TIP3 2425 38.078 19.193 -11.894 1.00 0.00 WT1 O ATOM 9938 H1 TIP3 2425 37.648 19.521 -12.684 1.00 0.00 WT1 H ATOM 9939 H2 TIP3 2425 37.481 19.423 -11.182 1.00 0.00 WT1 H ATOM 9940 OH2 TIP3 2426 87.749 74.608 8.482 1.00 0.00 WT1 O ATOM 9941 H1 TIP3 2426 87.920 73.945 7.813 1.00 0.00 WT1 H ATOM 9942 H2 TIP3 2426 88.073 75.424 8.100 1.00 0.00 WT1 H ATOM 9943 OH2 TIP3 2427 26.862 19.688 19.474 1.00 0.00 WT1 O ATOM 9944 H1 TIP3 2427 27.133 20.001 18.611 1.00 0.00 WT1 H ATOM 9945 H2 TIP3 2427 27.493 19.001 19.689 1.00 0.00 WT1 H ATOM 9946 OH2 TIP3 2429 81.586 89.488 38.970 1.00 0.00 WT1 O ATOM 9947 H1 TIP3 2429 81.578 89.105 39.847 1.00 0.00 WT1 H ATOM 9948 H2 TIP3 2429 82.289 89.026 38.513 1.00 0.00 WT1 H ATOM 9949 OH2 TIP3 2430 54.807 58.563 55.203 1.00 0.00 WT1 O ATOM 9950 H1 TIP3 2430 55.001 59.499 55.252 1.00 0.00 WT1 H ATOM 9951 H2 TIP3 2430 54.407 58.356 56.048 1.00 0.00 WT1 H ATOM 9952 OH2 TIP3 2431 30.900 91.321 34.599 1.00 0.00 WT1 O ATOM 9953 H1 TIP3 2431 30.457 90.969 35.371 1.00 0.00 WT1 H ATOM 9954 H2 TIP3 2431 31.521 91.960 34.949 1.00 0.00 WT1 H ATOM 9955 OH2 TIP3 2432 75.830 1.594 14.008 1.00 0.00 WT1 O ATOM 9956 H1 TIP3 2432 76.761 1.809 13.942 1.00 0.00 WT1 H ATOM 9957 H2 TIP3 2432 75.762 0.711 13.646 1.00 0.00 WT1 H ATOM 9958 OH2 TIP3 2433 81.010 64.289 44.588 1.00 0.00 WT1 O ATOM 9959 H1 TIP3 2433 81.558 64.277 45.372 1.00 0.00 WT1 H ATOM 9960 H2 TIP3 2433 81.356 63.583 44.042 1.00 0.00 WT1 H ATOM 9961 OH2 TIP3 2434 38.468 24.255 56.959 1.00 0.00 WT1 O ATOM 9962 H1 TIP3 2434 38.176 23.366 57.162 1.00 0.00 WT1 H ATOM 9963 H2 TIP3 2434 39.112 24.456 57.637 1.00 0.00 WT1 H ATOM 9964 OH2 TIP3 2435 68.765 15.975 59.037 1.00 0.00 WT1 O ATOM 9965 H1 TIP3 2435 69.512 15.608 59.509 1.00 0.00 WT1 H ATOM 9966 H2 TIP3 2435 68.870 15.661 58.139 1.00 0.00 WT1 H ATOM 9967 OH2 TIP3 2436 46.494 22.193 66.855 1.00 0.00 WT1 O ATOM 9968 H1 TIP3 2436 45.891 22.759 66.374 1.00 0.00 WT1 H ATOM 9969 H2 TIP3 2436 47.149 21.933 66.207 1.00 0.00 WT1 H ATOM 9970 OH2 TIP3 2437 36.347 20.487 33.047 1.00 0.00 WT1 O ATOM 9971 H1 TIP3 2437 37.073 19.918 32.792 1.00 0.00 WT1 H ATOM 9972 H2 TIP3 2437 35.636 20.252 32.450 1.00 0.00 WT1 H ATOM 9973 OH2 TIP3 2438 42.820 28.068 2.054 1.00 0.00 WT1 O ATOM 9974 H1 TIP3 2438 43.488 28.218 1.385 1.00 0.00 WT1 H ATOM 9975 H2 TIP3 2438 42.959 27.164 2.333 1.00 0.00 WT1 H ATOM 9976 OH2 TIP3 2439 34.943 33.745 -13.106 1.00 0.00 WT1 O ATOM 9977 H1 TIP3 2439 34.667 33.793 -12.191 1.00 0.00 WT1 H ATOM 9978 H2 TIP3 2439 34.504 34.483 -13.528 1.00 0.00 WT1 H ATOM 9979 OH2 TIP3 2440 26.384 32.600 23.563 1.00 0.00 WT1 O ATOM 9980 H1 TIP3 2440 26.875 32.932 22.811 1.00 0.00 WT1 H ATOM 9981 H2 TIP3 2440 25.985 33.379 23.950 1.00 0.00 WT1 H ATOM 9982 OH2 TIP3 2441 31.228 30.652 30.710 1.00 0.00 WT1 O ATOM 9983 H1 TIP3 2441 30.465 31.185 30.932 1.00 0.00 WT1 H ATOM 9984 H2 TIP3 2441 31.882 31.284 30.410 1.00 0.00 WT1 H ATOM 9985 OH2 TIP3 2442 47.830 8.953 -1.149 1.00 0.00 WT1 O ATOM 9986 H1 TIP3 2442 47.126 9.572 -0.956 1.00 0.00 WT1 H ATOM 9987 H2 TIP3 2442 47.673 8.218 -0.556 1.00 0.00 WT1 H ATOM 9988 OH2 TIP3 2443 27.131 65.791 44.689 1.00 0.00 WT1 O ATOM 9989 H1 TIP3 2443 27.385 66.692 44.891 1.00 0.00 WT1 H ATOM 9990 H2 TIP3 2443 27.952 65.354 44.464 1.00 0.00 WT1 H ATOM 9991 OH2 TIP3 2444 56.737 80.538 54.305 1.00 0.00 WT1 O ATOM 9992 H1 TIP3 2444 56.035 79.904 54.448 1.00 0.00 WT1 H ATOM 9993 H2 TIP3 2444 57.537 80.068 54.541 1.00 0.00 WT1 H ATOM 9994 OH2 TIP3 2447 28.219 96.073 6.395 1.00 0.00 WT1 O ATOM 9995 H1 TIP3 2447 28.447 95.234 6.795 1.00 0.00 WT1 H ATOM 9996 H2 TIP3 2447 29.025 96.588 6.442 1.00 0.00 WT1 H ATOM 9997 OH2 TIP3 2449 86.660 47.008 50.306 1.00 0.00 WT1 O ATOM 9998 H1 TIP3 2449 87.590 46.924 50.518 1.00 0.00 WT1 H ATOM 9999 H2 TIP3 2449 86.354 47.732 50.852 1.00 0.00 WT1 H ATOM 10000 OH2 TIP3 2451 36.085 41.265 35.496 1.00 0.00 WT1 O ATOM 10001 H1 TIP3 2451 36.859 41.609 35.942 1.00 0.00 WT1 H ATOM 10002 H2 TIP3 2451 35.414 41.223 36.177 1.00 0.00 WT1 H ATOM 10003 OH2 TIP3 2453 52.644 15.217 19.113 1.00 0.00 WT1 O ATOM 10004 H1 TIP3 2453 52.934 15.894 18.502 1.00 0.00 WT1 H ATOM 10005 H2 TIP3 2453 51.693 15.323 19.154 1.00 0.00 WT1 H ATOM 10006 OH2 TIP3 2455 54.027 16.307 14.960 1.00 0.00 WT1 O ATOM 10007 H1 TIP3 2455 53.526 15.806 15.603 1.00 0.00 WT1 H ATOM 10008 H2 TIP3 2455 53.733 17.211 15.078 1.00 0.00 WT1 H ATOM 10009 OH2 TIP3 2456 37.747 30.984 37.948 1.00 0.00 WT1 O ATOM 10010 H1 TIP3 2456 37.346 31.279 37.130 1.00 0.00 WT1 H ATOM 10011 H2 TIP3 2456 38.594 30.624 37.684 1.00 0.00 WT1 H ATOM 10012 OH2 TIP3 2457 26.328 1.478 58.817 1.00 0.00 WT1 O ATOM 10013 H1 TIP3 2457 26.681 2.359 58.939 1.00 0.00 WT1 H ATOM 10014 H2 TIP3 2457 25.752 1.553 58.056 1.00 0.00 WT1 H ATOM 10015 OH2 TIP3 2458 66.600 62.740 54.855 1.00 0.00 WT1 O ATOM 10016 H1 TIP3 2458 66.403 63.513 55.384 1.00 0.00 WT1 H ATOM 10017 H2 TIP3 2458 65.925 62.106 55.097 1.00 0.00 WT1 H ATOM 10018 OH2 TIP3 2459 48.368 53.605 3.884 1.00 0.00 WT1 O ATOM 10019 H1 TIP3 2459 49.025 52.945 3.661 1.00 0.00 WT1 H ATOM 10020 H2 TIP3 2459 48.852 54.271 4.371 1.00 0.00 WT1 H ATOM 10021 OH2 TIP3 2460 26.828 40.925 2.217 1.00 0.00 WT1 O ATOM 10022 H1 TIP3 2460 26.486 41.439 1.486 1.00 0.00 WT1 H ATOM 10023 H2 TIP3 2460 27.692 41.298 2.389 1.00 0.00 WT1 H ATOM 10024 OH2 TIP3 2461 79.303 1.328 65.036 1.00 0.00 WT1 O ATOM 10025 H1 TIP3 2461 79.921 1.667 65.683 1.00 0.00 WT1 H ATOM 10026 H2 TIP3 2461 79.123 2.074 64.463 1.00 0.00 WT1 H ATOM 10027 OH2 TIP3 2462 41.805 15.521 -10.701 1.00 0.00 WT1 O ATOM 10028 H1 TIP3 2462 41.742 15.565 -11.655 1.00 0.00 WT1 H ATOM 10029 H2 TIP3 2462 41.153 16.148 -10.388 1.00 0.00 WT1 H ATOM 10030 OH2 TIP3 2463 45.081 7.819 15.594 1.00 0.00 WT1 O ATOM 10031 H1 TIP3 2463 45.053 8.537 16.227 1.00 0.00 WT1 H ATOM 10032 H2 TIP3 2463 44.483 7.162 15.952 1.00 0.00 WT1 H ATOM 10033 OH2 TIP3 2464 62.322 17.550 -15.232 1.00 0.00 WT1 O ATOM 10034 H1 TIP3 2464 63.001 18.191 -15.442 1.00 0.00 WT1 H ATOM 10035 H2 TIP3 2464 61.718 17.589 -15.974 1.00 0.00 WT1 H ATOM 10036 OH2 TIP3 2465 40.912 1.024 29.553 1.00 0.00 WT1 O ATOM 10037 H1 TIP3 2465 41.149 0.484 30.307 1.00 0.00 WT1 H ATOM 10038 H2 TIP3 2465 41.619 1.666 29.486 1.00 0.00 WT1 H ATOM 10039 OH2 TIP3 2467 27.153 34.601 58.247 1.00 0.00 WT1 O ATOM 10040 H1 TIP3 2467 27.929 34.915 57.783 1.00 0.00 WT1 H ATOM 10041 H2 TIP3 2467 26.981 35.272 58.907 1.00 0.00 WT1 H ATOM 10042 OH2 TIP3 2468 89.358 0.233 61.401 1.00 0.00 WT1 O ATOM 10043 H1 TIP3 2468 89.757 0.860 60.798 1.00 0.00 WT1 H ATOM 10044 H2 TIP3 2468 89.211 0.733 62.204 1.00 0.00 WT1 H ATOM 10045 OH2 TIP3 2469 45.651 58.154 -13.995 1.00 0.00 WT1 O ATOM 10046 H1 TIP3 2469 46.559 58.440 -13.899 1.00 0.00 WT1 H ATOM 10047 H2 TIP3 2469 45.500 57.577 -13.247 1.00 0.00 WT1 H ATOM 10048 OH2 TIP3 2470 78.025 20.849 38.975 1.00 0.00 WT1 O ATOM 10049 H1 TIP3 2470 77.700 21.208 38.149 1.00 0.00 WT1 H ATOM 10050 H2 TIP3 2470 78.471 20.039 38.726 1.00 0.00 WT1 H ATOM 10051 OH2 TIP3 2471 50.274 78.433 62.972 1.00 0.00 WT1 O ATOM 10052 H1 TIP3 2471 51.116 78.842 63.172 1.00 0.00 WT1 H ATOM 10053 H2 TIP3 2471 50.349 77.545 63.321 1.00 0.00 WT1 H ATOM 10054 OH2 TIP3 2472 40.178 42.684 27.003 1.00 0.00 WT1 O ATOM 10055 H1 TIP3 2472 41.080 43.005 27.014 1.00 0.00 WT1 H ATOM 10056 H2 TIP3 2472 40.196 41.938 26.404 1.00 0.00 WT1 H ATOM 10057 OH2 TIP3 2473 67.494 10.272 40.999 1.00 0.00 WT1 O ATOM 10058 H1 TIP3 2473 68.377 10.479 41.305 1.00 0.00 WT1 H ATOM 10059 H2 TIP3 2473 67.630 9.797 40.179 1.00 0.00 WT1 H ATOM 10060 OH2 TIP3 2474 90.149 77.409 10.946 1.00 0.00 WT1 O ATOM 10061 H1 TIP3 2474 89.490 76.809 11.295 1.00 0.00 WT1 H ATOM 10062 H2 TIP3 2474 90.906 76.853 10.761 1.00 0.00 WT1 H ATOM 10063 OH2 TIP3 2475 21.883 13.380 66.289 1.00 0.00 WT1 O ATOM 10064 H1 TIP3 2475 21.361 13.003 66.997 1.00 0.00 WT1 H ATOM 10065 H2 TIP3 2475 22.208 14.207 66.644 1.00 0.00 WT1 H ATOM 10066 OH2 TIP3 2476 32.137 35.592 48.266 1.00 0.00 WT1 O ATOM 10067 H1 TIP3 2476 32.963 35.681 47.791 1.00 0.00 WT1 H ATOM 10068 H2 TIP3 2476 32.302 34.900 48.907 1.00 0.00 WT1 H ATOM 10069 OH2 TIP3 2479 20.287 63.280 40.611 1.00 0.00 WT1 O ATOM 10070 H1 TIP3 2479 19.948 63.665 41.420 1.00 0.00 WT1 H ATOM 10071 H2 TIP3 2479 20.413 64.026 40.025 1.00 0.00 WT1 H ATOM 10072 OH2 TIP3 2480 36.105 42.739 57.367 1.00 0.00 WT1 O ATOM 10073 H1 TIP3 2480 35.380 42.421 56.830 1.00 0.00 WT1 H ATOM 10074 H2 TIP3 2480 36.525 43.412 56.830 1.00 0.00 WT1 H ATOM 10075 OH2 TIP3 2481 58.410 26.460 55.540 1.00 0.00 WT1 O ATOM 10076 H1 TIP3 2481 58.172 27.166 54.939 1.00 0.00 WT1 H ATOM 10077 H2 TIP3 2481 58.498 26.889 56.391 1.00 0.00 WT1 H ATOM 10078 OH2 TIP3 2482 40.238 36.380 12.189 1.00 0.00 WT1 O ATOM 10079 H1 TIP3 2482 39.895 36.903 11.465 1.00 0.00 WT1 H ATOM 10080 H2 TIP3 2482 40.132 36.938 12.960 1.00 0.00 WT1 H ATOM 10081 OH2 TIP3 2483 82.015 65.296 54.050 1.00 0.00 WT1 O ATOM 10082 H1 TIP3 2483 81.733 66.072 53.567 1.00 0.00 WT1 H ATOM 10083 H2 TIP3 2483 81.209 64.803 54.205 1.00 0.00 WT1 H ATOM 10084 OH2 TIP3 2484 65.592 89.918 17.023 1.00 0.00 WT1 O ATOM 10085 H1 TIP3 2484 66.057 89.927 16.186 1.00 0.00 WT1 H ATOM 10086 H2 TIP3 2484 65.243 89.029 17.093 1.00 0.00 WT1 H ATOM 10087 OH2 TIP3 2487 83.192 19.479 52.011 1.00 0.00 WT1 O ATOM 10088 H1 TIP3 2487 83.324 18.543 51.867 1.00 0.00 WT1 H ATOM 10089 H2 TIP3 2487 82.361 19.675 51.577 1.00 0.00 WT1 H ATOM 10090 OH2 TIP3 2488 34.294 18.481 23.000 1.00 0.00 WT1 O ATOM 10091 H1 TIP3 2488 34.618 17.698 22.555 1.00 0.00 WT1 H ATOM 10092 H2 TIP3 2488 34.342 19.170 22.338 1.00 0.00 WT1 H ATOM 10093 OH2 TIP3 2489 75.777 53.945 -6.391 1.00 0.00 WT1 O ATOM 10094 H1 TIP3 2489 76.449 53.264 -6.402 1.00 0.00 WT1 H ATOM 10095 H2 TIP3 2489 75.424 53.920 -5.501 1.00 0.00 WT1 H ATOM 10096 OH2 TIP3 2492 45.955 12.832 2.147 1.00 0.00 WT1 O ATOM 10097 H1 TIP3 2492 45.204 13.404 1.986 1.00 0.00 WT1 H ATOM 10098 H2 TIP3 2492 45.989 12.742 3.099 1.00 0.00 WT1 H ATOM 10099 OH2 TIP3 2493 84.025 28.744 13.777 1.00 0.00 WT1 O ATOM 10100 H1 TIP3 2493 83.416 29.166 13.171 1.00 0.00 WT1 H ATOM 10101 H2 TIP3 2493 83.503 28.574 14.561 1.00 0.00 WT1 H ATOM 10102 OH2 TIP3 2494 66.144 65.738 54.642 1.00 0.00 WT1 O ATOM 10103 H1 TIP3 2494 66.878 66.352 54.616 1.00 0.00 WT1 H ATOM 10104 H2 TIP3 2494 66.032 65.459 53.733 1.00 0.00 WT1 H ATOM 10105 OH2 TIP3 2495 27.643 93.693 0.301 1.00 0.00 WT1 O ATOM 10106 H1 TIP3 2495 26.847 94.074 -0.070 1.00 0.00 WT1 H ATOM 10107 H2 TIP3 2495 27.732 92.848 -0.139 1.00 0.00 WT1 H ATOM 10108 OH2 TIP3 2496 35.686 45.817 58.542 1.00 0.00 WT1 O ATOM 10109 H1 TIP3 2496 36.273 45.068 58.652 1.00 0.00 WT1 H ATOM 10110 H2 TIP3 2496 35.337 45.978 59.419 1.00 0.00 WT1 H ATOM 10111 OH2 TIP3 2497 56.560 48.419 35.492 1.00 0.00 WT1 O ATOM 10112 H1 TIP3 2497 55.741 48.016 35.203 1.00 0.00 WT1 H ATOM 10113 H2 TIP3 2497 56.695 49.147 34.886 1.00 0.00 WT1 H ATOM 10114 OH2 TIP3 2498 84.955 41.064 60.822 1.00 0.00 WT1 O ATOM 10115 H1 TIP3 2498 85.197 41.467 61.656 1.00 0.00 WT1 H ATOM 10116 H2 TIP3 2498 84.472 40.275 61.068 1.00 0.00 WT1 H ATOM 10117 OH2 TIP3 2499 75.958 43.074 35.823 1.00 0.00 WT1 O ATOM 10118 H1 TIP3 2499 75.123 43.448 35.542 1.00 0.00 WT1 H ATOM 10119 H2 TIP3 2499 76.148 43.507 36.655 1.00 0.00 WT1 H ATOM 10120 OH2 TIP3 2500 75.706 83.844 27.346 1.00 0.00 WT1 O ATOM 10121 H1 TIP3 2500 76.252 84.587 27.601 1.00 0.00 WT1 H ATOM 10122 H2 TIP3 2500 75.251 84.140 26.557 1.00 0.00 WT1 H ATOM 10123 OH2 TIP3 2501 82.443 3.443 65.836 1.00 0.00 WT1 O ATOM 10124 H1 TIP3 2501 81.855 2.866 66.323 1.00 0.00 WT1 H ATOM 10125 H2 TIP3 2501 83.175 3.600 66.433 1.00 0.00 WT1 H ATOM 10126 OH2 TIP3 2502 55.706 53.807 -8.256 1.00 0.00 WT1 O ATOM 10127 H1 TIP3 2502 55.041 53.121 -8.312 1.00 0.00 WT1 H ATOM 10128 H2 TIP3 2502 55.954 53.826 -7.332 1.00 0.00 WT1 H ATOM 10129 OH2 TIP3 2503 65.873 43.449 -11.689 1.00 0.00 WT1 O ATOM 10130 H1 TIP3 2503 66.747 43.354 -12.069 1.00 0.00 WT1 H ATOM 10131 H2 TIP3 2503 65.280 43.135 -12.371 1.00 0.00 WT1 H ATOM 10132 OH2 TIP3 2505 24.717 90.080 -10.510 1.00 0.00 WT1 O ATOM 10133 H1 TIP3 2505 24.891 89.706 -11.373 1.00 0.00 WT1 H ATOM 10134 H2 TIP3 2505 23.762 90.115 -10.452 1.00 0.00 WT1 H ATOM 10135 OH2 TIP3 2506 77.043 43.558 52.326 1.00 0.00 WT1 O ATOM 10136 H1 TIP3 2506 77.355 44.445 52.151 1.00 0.00 WT1 H ATOM 10137 H2 TIP3 2506 77.789 42.995 52.121 1.00 0.00 WT1 H ATOM 10138 OH2 TIP3 2508 24.756 76.542 17.578 1.00 0.00 WT1 O ATOM 10139 H1 TIP3 2508 24.385 75.907 18.190 1.00 0.00 WT1 H ATOM 10140 H2 TIP3 2508 24.919 76.040 16.780 1.00 0.00 WT1 H ATOM 10141 OH2 TIP3 2510 36.173 46.465 32.663 1.00 0.00 WT1 O ATOM 10142 H1 TIP3 2510 36.992 46.019 32.449 1.00 0.00 WT1 H ATOM 10143 H2 TIP3 2510 36.434 47.185 33.237 1.00 0.00 WT1 H ATOM 10144 OH2 TIP3 2511 25.232 45.632 25.946 1.00 0.00 WT1 O ATOM 10145 H1 TIP3 2511 25.069 44.852 26.475 1.00 0.00 WT1 H ATOM 10146 H2 TIP3 2511 24.735 46.326 26.379 1.00 0.00 WT1 H ATOM 10147 OH2 TIP3 2512 70.633 66.786 2.136 1.00 0.00 WT1 O ATOM 10148 H1 TIP3 2512 69.998 66.300 2.662 1.00 0.00 WT1 H ATOM 10149 H2 TIP3 2512 70.832 67.563 2.658 1.00 0.00 WT1 H ATOM 10150 OH2 TIP3 2515 35.479 91.377 46.225 1.00 0.00 WT1 O ATOM 10151 H1 TIP3 2515 35.597 92.327 46.231 1.00 0.00 WT1 H ATOM 10152 H2 TIP3 2515 36.100 91.063 45.568 1.00 0.00 WT1 H ATOM 10153 OH2 TIP3 2517 30.769 50.996 -10.466 1.00 0.00 WT1 O ATOM 10154 H1 TIP3 2517 31.539 51.379 -10.046 1.00 0.00 WT1 H ATOM 10155 H2 TIP3 2517 30.030 51.313 -9.946 1.00 0.00 WT1 H ATOM 10156 OH2 TIP3 2518 21.204 64.059 15.482 1.00 0.00 WT1 O ATOM 10157 H1 TIP3 2518 21.798 64.801 15.593 1.00 0.00 WT1 H ATOM 10158 H2 TIP3 2518 21.641 63.494 14.844 1.00 0.00 WT1 H ATOM 10159 OH2 TIP3 2519 33.161 4.355 13.774 1.00 0.00 WT1 O ATOM 10160 H1 TIP3 2519 33.662 4.411 14.587 1.00 0.00 WT1 H ATOM 10161 H2 TIP3 2519 32.838 3.454 13.752 1.00 0.00 WT1 H ATOM 10162 OH2 TIP3 2521 28.193 32.562 7.604 1.00 0.00 WT1 O ATOM 10163 H1 TIP3 2521 27.273 32.298 7.580 1.00 0.00 WT1 H ATOM 10164 H2 TIP3 2521 28.188 33.475 7.318 1.00 0.00 WT1 H ATOM 10165 OH2 TIP3 2522 41.046 34.554 32.279 1.00 0.00 WT1 O ATOM 10166 H1 TIP3 2522 41.675 35.170 31.903 1.00 0.00 WT1 H ATOM 10167 H2 TIP3 2522 40.469 35.097 32.816 1.00 0.00 WT1 H ATOM 10168 OH2 TIP3 2523 40.462 69.916 0.840 1.00 0.00 WT1 O ATOM 10169 H1 TIP3 2523 41.268 69.416 0.710 1.00 0.00 WT1 H ATOM 10170 H2 TIP3 2523 40.375 70.441 0.044 1.00 0.00 WT1 H ATOM 10171 OH2 TIP3 2525 65.648 6.921 51.955 1.00 0.00 WT1 O ATOM 10172 H1 TIP3 2525 66.332 7.107 51.312 1.00 0.00 WT1 H ATOM 10173 H2 TIP3 2525 65.461 7.768 52.358 1.00 0.00 WT1 H ATOM 10174 OH2 TIP3 2526 74.207 86.928 46.747 1.00 0.00 WT1 O ATOM 10175 H1 TIP3 2526 74.263 87.574 46.043 1.00 0.00 WT1 H ATOM 10176 H2 TIP3 2526 74.800 87.258 47.422 1.00 0.00 WT1 H ATOM 10177 OH2 TIP3 2527 43.632 36.490 37.099 1.00 0.00 WT1 O ATOM 10178 H1 TIP3 2527 43.092 37.031 36.523 1.00 0.00 WT1 H ATOM 10179 H2 TIP3 2527 44.281 36.094 36.517 1.00 0.00 WT1 H ATOM 10180 OH2 TIP3 2528 71.758 65.726 49.247 1.00 0.00 WT1 O ATOM 10181 H1 TIP3 2528 70.912 65.277 49.231 1.00 0.00 WT1 H ATOM 10182 H2 TIP3 2528 72.148 65.532 48.395 1.00 0.00 WT1 H ATOM 10183 OH2 TIP3 2529 26.687 27.799 4.754 1.00 0.00 WT1 O ATOM 10184 H1 TIP3 2529 26.509 27.527 5.655 1.00 0.00 WT1 H ATOM 10185 H2 TIP3 2529 25.837 27.752 4.317 1.00 0.00 WT1 H ATOM 10186 OH2 TIP3 2530 65.648 13.791 61.752 1.00 0.00 WT1 O ATOM 10187 H1 TIP3 2530 66.135 14.484 61.305 1.00 0.00 WT1 H ATOM 10188 H2 TIP3 2530 64.835 14.212 62.032 1.00 0.00 WT1 H ATOM 10189 OH2 TIP3 2532 37.045 61.256 -8.923 1.00 0.00 WT1 O ATOM 10190 H1 TIP3 2532 37.699 61.347 -8.230 1.00 0.00 WT1 H ATOM 10191 H2 TIP3 2532 36.856 60.318 -8.952 1.00 0.00 WT1 H ATOM 10192 OH2 TIP3 2533 64.644 77.416 35.813 1.00 0.00 WT1 O ATOM 10193 H1 TIP3 2533 63.952 77.007 36.333 1.00 0.00 WT1 H ATOM 10194 H2 TIP3 2533 64.799 76.802 35.095 1.00 0.00 WT1 H ATOM 10195 OH2 TIP3 2535 47.120 13.564 28.404 1.00 0.00 WT1 O ATOM 10196 H1 TIP3 2535 48.001 13.675 28.760 1.00 0.00 WT1 H ATOM 10197 H2 TIP3 2535 46.585 14.197 28.884 1.00 0.00 WT1 H ATOM 10198 OH2 TIP3 2536 34.929 30.147 -18.705 1.00 0.00 WT1 O ATOM 10199 H1 TIP3 2536 34.699 29.257 -18.974 1.00 0.00 WT1 H ATOM 10200 H2 TIP3 2536 35.185 30.584 -19.517 1.00 0.00 WT1 H ATOM 10201 OH2 TIP3 2537 48.512 49.914 -11.870 1.00 0.00 WT1 O ATOM 10202 H1 TIP3 2537 48.174 50.361 -12.646 1.00 0.00 WT1 H ATOM 10203 H2 TIP3 2537 49.142 50.529 -11.493 1.00 0.00 WT1 H ATOM 10204 OH2 TIP3 2538 52.555 38.514 21.432 1.00 0.00 WT1 O ATOM 10205 H1 TIP3 2538 53.448 38.654 21.749 1.00 0.00 WT1 H ATOM 10206 H2 TIP3 2538 52.187 39.394 21.355 1.00 0.00 WT1 H ATOM 10207 OH2 TIP3 2539 21.389 31.078 59.674 1.00 0.00 WT1 O ATOM 10208 H1 TIP3 2539 22.172 31.201 60.212 1.00 0.00 WT1 H ATOM 10209 H2 TIP3 2539 21.272 30.129 59.635 1.00 0.00 WT1 H ATOM 10210 OH2 TIP3 2540 60.790 31.725 -19.701 1.00 0.00 WT1 O ATOM 10211 H1 TIP3 2540 60.616 32.604 -19.365 1.00 0.00 WT1 H ATOM 10212 H2 TIP3 2540 60.857 31.839 -20.649 1.00 0.00 WT1 H ATOM 10213 OH2 TIP3 2541 46.710 2.599 31.092 1.00 0.00 WT1 O ATOM 10214 H1 TIP3 2541 46.988 1.706 30.890 1.00 0.00 WT1 H ATOM 10215 H2 TIP3 2541 47.086 2.778 31.954 1.00 0.00 WT1 H ATOM 10216 OH2 TIP3 2542 35.296 87.556 0.592 1.00 0.00 WT1 O ATOM 10217 H1 TIP3 2542 35.275 87.834 1.508 1.00 0.00 WT1 H ATOM 10218 H2 TIP3 2542 36.184 87.222 0.463 1.00 0.00 WT1 H ATOM 10219 OH2 TIP3 2543 76.473 19.811 4.079 1.00 0.00 WT1 O ATOM 10220 H1 TIP3 2543 76.652 20.743 4.203 1.00 0.00 WT1 H ATOM 10221 H2 TIP3 2543 75.892 19.580 4.803 1.00 0.00 WT1 H ATOM 10222 OH2 TIP3 2544 84.495 36.460 9.571 1.00 0.00 WT1 O ATOM 10223 H1 TIP3 2544 83.919 35.778 9.225 1.00 0.00 WT1 H ATOM 10224 H2 TIP3 2544 84.548 36.276 10.509 1.00 0.00 WT1 H ATOM 10225 OH2 TIP3 2545 57.033 55.822 25.762 1.00 0.00 WT1 O ATOM 10226 H1 TIP3 2545 56.702 55.092 26.286 1.00 0.00 WT1 H ATOM 10227 H2 TIP3 2545 56.617 56.597 26.140 1.00 0.00 WT1 H ATOM 10228 OH2 TIP3 2546 26.434 58.551 -14.737 1.00 0.00 WT1 O ATOM 10229 H1 TIP3 2546 26.111 58.797 -13.870 1.00 0.00 WT1 H ATOM 10230 H2 TIP3 2546 27.241 58.068 -14.564 1.00 0.00 WT1 H ATOM 10231 OH2 TIP3 2547 34.076 38.260 -16.068 1.00 0.00 WT1 O ATOM 10232 H1 TIP3 2547 34.725 38.449 -16.745 1.00 0.00 WT1 H ATOM 10233 H2 TIP3 2547 34.189 37.329 -15.879 1.00 0.00 WT1 H ATOM 10234 OH2 TIP3 2548 37.409 40.246 -5.201 1.00 0.00 WT1 O ATOM 10235 H1 TIP3 2548 36.676 40.857 -5.126 1.00 0.00 WT1 H ATOM 10236 H2 TIP3 2548 38.171 40.749 -4.916 1.00 0.00 WT1 H ATOM 10237 OH2 TIP3 2549 24.296 69.890 14.336 1.00 0.00 WT1 O ATOM 10238 H1 TIP3 2549 24.359 69.644 15.259 1.00 0.00 WT1 H ATOM 10239 H2 TIP3 2549 24.642 69.134 13.861 1.00 0.00 WT1 H ATOM 10240 OH2 TIP3 2550 51.550 52.830 27.177 1.00 0.00 WT1 O ATOM 10241 H1 TIP3 2550 50.906 52.220 26.815 1.00 0.00 WT1 H ATOM 10242 H2 TIP3 2550 52.023 52.317 27.832 1.00 0.00 WT1 H ATOM 10243 OH2 TIP3 2551 81.028 41.774 50.366 1.00 0.00 WT1 O ATOM 10244 H1 TIP3 2551 81.719 41.631 49.719 1.00 0.00 WT1 H ATOM 10245 H2 TIP3 2551 80.272 41.300 50.019 1.00 0.00 WT1 H ATOM 10246 OH2 TIP3 2552 70.494 76.348 60.517 1.00 0.00 WT1 O ATOM 10247 H1 TIP3 2552 70.469 75.553 61.049 1.00 0.00 WT1 H ATOM 10248 H2 TIP3 2552 71.367 76.346 60.123 1.00 0.00 WT1 H ATOM 10249 OH2 TIP3 2553 32.908 51.868 -8.801 1.00 0.00 WT1 O ATOM 10250 H1 TIP3 2553 33.592 51.205 -8.894 1.00 0.00 WT1 H ATOM 10251 H2 TIP3 2553 32.751 51.918 -7.858 1.00 0.00 WT1 H ATOM 10252 OH2 TIP3 2554 51.707 56.347 -11.077 1.00 0.00 WT1 O ATOM 10253 H1 TIP3 2554 51.355 57.197 -10.813 1.00 0.00 WT1 H ATOM 10254 H2 TIP3 2554 51.897 56.446 -12.010 1.00 0.00 WT1 H ATOM 10255 OH2 TIP3 2556 79.516 59.664 46.391 1.00 0.00 WT1 O ATOM 10256 H1 TIP3 2556 79.008 59.653 47.202 1.00 0.00 WT1 H ATOM 10257 H2 TIP3 2556 79.258 60.478 45.957 1.00 0.00 WT1 H ATOM 10258 OH2 TIP3 2557 87.799 58.063 11.972 1.00 0.00 WT1 O ATOM 10259 H1 TIP3 2557 88.563 58.323 12.487 1.00 0.00 WT1 H ATOM 10260 H2 TIP3 2557 88.166 57.710 11.162 1.00 0.00 WT1 H ATOM 10261 OH2 TIP3 2559 59.726 17.840 9.734 1.00 0.00 WT1 O ATOM 10262 H1 TIP3 2559 59.266 18.602 10.085 1.00 0.00 WT1 H ATOM 10263 H2 TIP3 2559 60.449 17.694 10.344 1.00 0.00 WT1 H ATOM 10264 OH2 TIP3 2560 83.467 16.720 -8.411 1.00 0.00 WT1 O ATOM 10265 H1 TIP3 2560 82.969 16.778 -9.226 1.00 0.00 WT1 H ATOM 10266 H2 TIP3 2560 83.183 15.896 -8.014 1.00 0.00 WT1 H ATOM 10267 OH2 TIP3 2561 32.720 33.436 -5.574 1.00 0.00 WT1 O ATOM 10268 H1 TIP3 2561 32.809 32.538 -5.255 1.00 0.00 WT1 H ATOM 10269 H2 TIP3 2561 31.780 33.613 -5.535 1.00 0.00 WT1 H ATOM 10270 OH2 TIP3 2562 54.065 27.236 59.533 1.00 0.00 WT1 O ATOM 10271 H1 TIP3 2562 54.457 27.990 59.093 1.00 0.00 WT1 H ATOM 10272 H2 TIP3 2562 54.216 27.396 60.464 1.00 0.00 WT1 H ATOM 10273 OH2 TIP3 2563 79.410 57.648 41.791 1.00 0.00 WT1 O ATOM 10274 H1 TIP3 2563 79.136 57.416 42.678 1.00 0.00 WT1 H ATOM 10275 H2 TIP3 2563 78.729 58.243 41.477 1.00 0.00 WT1 H ATOM 10276 OH2 TIP3 2564 80.182 41.201 24.765 1.00 0.00 WT1 O ATOM 10277 H1 TIP3 2564 81.125 41.294 24.634 1.00 0.00 WT1 H ATOM 10278 H2 TIP3 2564 79.985 40.312 24.469 1.00 0.00 WT1 H ATOM 10279 OH2 TIP3 2565 60.972 44.990 -14.822 1.00 0.00 WT1 O ATOM 10280 H1 TIP3 2565 60.605 45.865 -14.691 1.00 0.00 WT1 H ATOM 10281 H2 TIP3 2565 60.904 44.571 -13.965 1.00 0.00 WT1 H ATOM 10282 OH2 TIP3 2566 75.717 49.506 -17.706 1.00 0.00 WT1 O ATOM 10283 H1 TIP3 2566 74.964 48.920 -17.777 1.00 0.00 WT1 H ATOM 10284 H2 TIP3 2566 76.247 49.130 -17.003 1.00 0.00 WT1 H ATOM 10285 OH2 TIP3 2567 26.665 31.745 -6.628 1.00 0.00 WT1 O ATOM 10286 H1 TIP3 2567 26.449 32.432 -7.259 1.00 0.00 WT1 H ATOM 10287 H2 TIP3 2567 27.381 31.260 -7.038 1.00 0.00 WT1 H ATOM 10288 OH2 TIP3 2568 40.246 40.273 30.694 1.00 0.00 WT1 O ATOM 10289 H1 TIP3 2568 40.849 40.801 30.170 1.00 0.00 WT1 H ATOM 10290 H2 TIP3 2568 39.731 39.787 30.050 1.00 0.00 WT1 H ATOM 10291 OH2 TIP3 2569 34.673 60.979 6.908 1.00 0.00 WT1 O ATOM 10292 H1 TIP3 2569 34.008 60.360 7.208 1.00 0.00 WT1 H ATOM 10293 H2 TIP3 2569 34.773 61.595 7.634 1.00 0.00 WT1 H ATOM 10294 OH2 TIP3 2570 72.861 50.172 -8.918 1.00 0.00 WT1 O ATOM 10295 H1 TIP3 2570 72.913 50.598 -8.063 1.00 0.00 WT1 H ATOM 10296 H2 TIP3 2570 72.198 49.491 -8.807 1.00 0.00 WT1 H ATOM 10297 OH2 TIP3 2571 39.278 78.263 -3.870 1.00 0.00 WT1 O ATOM 10298 H1 TIP3 2571 39.262 77.961 -2.962 1.00 0.00 WT1 H ATOM 10299 H2 TIP3 2571 39.819 77.619 -4.328 1.00 0.00 WT1 H ATOM 10300 OH2 TIP3 2572 33.249 22.430 -2.633 1.00 0.00 WT1 O ATOM 10301 H1 TIP3 2572 33.321 21.658 -3.195 1.00 0.00 WT1 H ATOM 10302 H2 TIP3 2572 33.310 23.172 -3.235 1.00 0.00 WT1 H ATOM 10303 OH2 TIP3 2573 35.889 64.036 -17.686 1.00 0.00 WT1 O ATOM 10304 H1 TIP3 2573 35.940 64.904 -18.086 1.00 0.00 WT1 H ATOM 10305 H2 TIP3 2573 36.369 64.122 -16.863 1.00 0.00 WT1 H ATOM 10306 OH2 TIP3 2574 43.633 93.808 8.791 1.00 0.00 WT1 O ATOM 10307 H1 TIP3 2574 43.660 92.992 9.291 1.00 0.00 WT1 H ATOM 10308 H2 TIP3 2574 44.053 93.593 7.958 1.00 0.00 WT1 H ATOM 10309 OH2 TIP3 2577 76.535 79.618 -16.541 1.00 0.00 WT1 O ATOM 10310 H1 TIP3 2577 75.903 79.308 -17.189 1.00 0.00 WT1 H ATOM 10311 H2 TIP3 2577 76.768 78.836 -16.040 1.00 0.00 WT1 H ATOM 10312 OH2 TIP3 2578 35.764 81.471 45.250 1.00 0.00 WT1 O ATOM 10313 H1 TIP3 2578 36.720 81.432 45.223 1.00 0.00 WT1 H ATOM 10314 H2 TIP3 2578 35.484 81.073 44.426 1.00 0.00 WT1 H ATOM 10315 OH2 TIP3 2580 55.817 49.535 57.248 1.00 0.00 WT1 O ATOM 10316 H1 TIP3 2580 55.714 50.428 56.919 1.00 0.00 WT1 H ATOM 10317 H2 TIP3 2580 56.550 49.588 57.860 1.00 0.00 WT1 H ATOM 10318 OH2 TIP3 2581 46.539 51.507 0.932 1.00 0.00 WT1 O ATOM 10319 H1 TIP3 2581 46.553 52.393 1.295 1.00 0.00 WT1 H ATOM 10320 H2 TIP3 2581 46.923 50.961 1.618 1.00 0.00 WT1 H ATOM 10321 OH2 TIP3 2582 62.205 25.851 12.546 1.00 0.00 WT1 O ATOM 10322 H1 TIP3 2582 61.724 26.195 13.299 1.00 0.00 WT1 H ATOM 10323 H2 TIP3 2582 61.594 25.246 12.126 1.00 0.00 WT1 H ATOM 10324 OH2 TIP3 2583 34.976 42.431 18.856 1.00 0.00 WT1 O ATOM 10325 H1 TIP3 2583 35.883 42.460 18.552 1.00 0.00 WT1 H ATOM 10326 H2 TIP3 2583 34.625 41.621 18.486 1.00 0.00 WT1 H ATOM 10327 OH2 TIP3 2584 36.174 9.929 66.606 1.00 0.00 WT1 O ATOM 10328 H1 TIP3 2584 36.002 8.996 66.733 1.00 0.00 WT1 H ATOM 10329 H2 TIP3 2584 36.934 9.956 66.025 1.00 0.00 WT1 H ATOM 10330 OH2 TIP3 2585 34.493 39.064 8.519 1.00 0.00 WT1 O ATOM 10331 H1 TIP3 2585 34.293 39.652 9.248 1.00 0.00 WT1 H ATOM 10332 H2 TIP3 2585 35.343 38.685 8.743 1.00 0.00 WT1 H ATOM 10333 OH2 TIP3 2587 46.117 77.167 25.469 1.00 0.00 WT1 O ATOM 10334 H1 TIP3 2587 46.646 77.270 24.678 1.00 0.00 WT1 H ATOM 10335 H2 TIP3 2587 46.718 76.791 26.113 1.00 0.00 WT1 H ATOM 10336 OH2 TIP3 2588 29.360 65.418 58.077 1.00 0.00 WT1 O ATOM 10337 H1 TIP3 2588 28.987 64.695 58.581 1.00 0.00 WT1 H ATOM 10338 H2 TIP3 2588 29.093 66.205 58.552 1.00 0.00 WT1 H ATOM 10339 OH2 TIP3 2589 25.818 17.721 54.020 1.00 0.00 WT1 O ATOM 10340 H1 TIP3 2589 25.860 16.884 53.558 1.00 0.00 WT1 H ATOM 10341 H2 TIP3 2589 24.940 17.740 54.402 1.00 0.00 WT1 H ATOM 10342 OH2 TIP3 2590 38.328 9.586 15.726 1.00 0.00 WT1 O ATOM 10343 H1 TIP3 2590 39.097 9.962 16.155 1.00 0.00 WT1 H ATOM 10344 H2 TIP3 2590 38.252 8.707 16.096 1.00 0.00 WT1 H ATOM 10345 OH2 TIP3 2591 71.733 27.017 30.386 1.00 0.00 WT1 O ATOM 10346 H1 TIP3 2591 72.431 26.520 29.958 1.00 0.00 WT1 H ATOM 10347 H2 TIP3 2591 71.807 27.898 30.019 1.00 0.00 WT1 H ATOM 10348 OH2 TIP3 2592 34.305 37.356 45.221 1.00 0.00 WT1 O ATOM 10349 H1 TIP3 2592 34.257 36.400 45.254 1.00 0.00 WT1 H ATOM 10350 H2 TIP3 2592 33.812 37.593 44.435 1.00 0.00 WT1 H ATOM 10351 OH2 TIP3 2594 40.171 52.052 17.468 1.00 0.00 WT1 O ATOM 10352 H1 TIP3 2594 40.220 52.959 17.769 1.00 0.00 WT1 H ATOM 10353 H2 TIP3 2594 40.772 51.576 18.041 1.00 0.00 WT1 H ATOM 10354 OH2 TIP3 2595 52.229 67.770 15.477 1.00 0.00 WT1 O ATOM 10355 H1 TIP3 2595 51.588 68.091 16.112 1.00 0.00 WT1 H ATOM 10356 H2 TIP3 2595 52.190 66.817 15.559 1.00 0.00 WT1 H ATOM 10357 OH2 TIP3 2597 45.018 38.052 -3.248 1.00 0.00 WT1 O ATOM 10358 H1 TIP3 2597 44.149 37.658 -3.320 1.00 0.00 WT1 H ATOM 10359 H2 TIP3 2597 45.357 37.735 -2.411 1.00 0.00 WT1 H ATOM 10360 OH2 TIP3 2598 67.170 43.980 25.027 1.00 0.00 WT1 O ATOM 10361 H1 TIP3 2598 66.768 43.196 25.400 1.00 0.00 WT1 H ATOM 10362 H2 TIP3 2598 66.575 44.691 25.264 1.00 0.00 WT1 H ATOM 10363 OH2 TIP3 2599 77.339 65.210 20.329 1.00 0.00 WT1 O ATOM 10364 H1 TIP3 2599 77.078 66.128 20.254 1.00 0.00 WT1 H ATOM 10365 H2 TIP3 2599 77.640 64.973 19.452 1.00 0.00 WT1 H ATOM 10366 OH2 TIP3 2600 64.939 18.596 -16.302 1.00 0.00 WT1 O ATOM 10367 H1 TIP3 2600 64.718 17.879 -16.895 1.00 0.00 WT1 H ATOM 10368 H2 TIP3 2600 65.403 19.228 -16.851 1.00 0.00 WT1 H ATOM 10369 OH2 TIP3 2601 67.661 87.223 15.581 1.00 0.00 WT1 O ATOM 10370 H1 TIP3 2601 67.333 88.070 15.278 1.00 0.00 WT1 H ATOM 10371 H2 TIP3 2601 68.585 87.221 15.332 1.00 0.00 WT1 H ATOM 10372 OH2 TIP3 2602 38.138 62.390 64.382 1.00 0.00 WT1 O ATOM 10373 H1 TIP3 2602 37.977 63.019 65.085 1.00 0.00 WT1 H ATOM 10374 H2 TIP3 2602 39.011 62.611 64.058 1.00 0.00 WT1 H ATOM 10375 OH2 TIP3 2603 68.543 68.448 42.921 1.00 0.00 WT1 O ATOM 10376 H1 TIP3 2603 69.194 68.451 43.622 1.00 0.00 WT1 H ATOM 10377 H2 TIP3 2603 67.753 68.092 43.328 1.00 0.00 WT1 H ATOM 10378 OH2 TIP3 2605 58.651 44.948 40.636 1.00 0.00 WT1 O ATOM 10379 H1 TIP3 2605 59.193 44.848 39.853 1.00 0.00 WT1 H ATOM 10380 H2 TIP3 2605 58.406 45.873 40.640 1.00 0.00 WT1 H ATOM 10381 OH2 TIP3 2606 61.159 11.883 8.457 1.00 0.00 WT1 O ATOM 10382 H1 TIP3 2606 60.861 12.673 8.006 1.00 0.00 WT1 H ATOM 10383 H2 TIP3 2606 60.354 11.456 8.749 1.00 0.00 WT1 H ATOM 10384 OH2 TIP3 2607 48.877 74.304 4.240 1.00 0.00 WT1 O ATOM 10385 H1 TIP3 2607 48.717 73.605 3.607 1.00 0.00 WT1 H ATOM 10386 H2 TIP3 2607 49.224 73.854 5.011 1.00 0.00 WT1 H ATOM 10387 OH2 TIP3 2608 76.161 73.400 62.867 1.00 0.00 WT1 O ATOM 10388 H1 TIP3 2608 76.707 74.149 62.631 1.00 0.00 WT1 H ATOM 10389 H2 TIP3 2608 75.278 73.652 62.598 1.00 0.00 WT1 H ATOM 10390 OH2 TIP3 2609 42.802 22.928 -7.014 1.00 0.00 WT1 O ATOM 10391 H1 TIP3 2609 42.450 22.046 -6.899 1.00 0.00 WT1 H ATOM 10392 H2 TIP3 2609 42.439 23.224 -7.849 1.00 0.00 WT1 H ATOM 10393 OH2 TIP3 2610 53.286 2.893 9.424 1.00 0.00 WT1 O ATOM 10394 H1 TIP3 2610 53.886 2.481 10.046 1.00 0.00 WT1 H ATOM 10395 H2 TIP3 2610 53.252 3.810 9.694 1.00 0.00 WT1 H ATOM 10396 OH2 TIP3 2611 29.813 28.136 30.421 1.00 0.00 WT1 O ATOM 10397 H1 TIP3 2611 29.883 28.007 31.367 1.00 0.00 WT1 H ATOM 10398 H2 TIP3 2611 29.767 29.086 30.311 1.00 0.00 WT1 H ATOM 10399 OH2 TIP3 2612 44.281 55.897 10.968 1.00 0.00 WT1 O ATOM 10400 H1 TIP3 2612 44.971 56.081 10.331 1.00 0.00 WT1 H ATOM 10401 H2 TIP3 2612 44.657 56.157 11.810 1.00 0.00 WT1 H ATOM 10402 OH2 TIP3 2613 20.912 55.499 -14.564 1.00 0.00 WT1 O ATOM 10403 H1 TIP3 2613 21.456 55.025 -13.935 1.00 0.00 WT1 H ATOM 10404 H2 TIP3 2613 20.733 54.862 -15.255 1.00 0.00 WT1 H ATOM 10405 OH2 TIP3 2614 53.598 55.010 15.545 1.00 0.00 WT1 O ATOM 10406 H1 TIP3 2614 53.416 54.105 15.797 1.00 0.00 WT1 H ATOM 10407 H2 TIP3 2614 53.247 55.087 14.658 1.00 0.00 WT1 H ATOM 10408 OH2 TIP3 2615 90.049 44.509 19.675 1.00 0.00 WT1 O ATOM 10409 H1 TIP3 2615 89.200 44.942 19.592 1.00 0.00 WT1 H ATOM 10410 H2 TIP3 2615 90.640 45.034 19.136 1.00 0.00 WT1 H ATOM 10411 OH2 TIP3 2616 78.274 40.567 61.810 1.00 0.00 WT1 O ATOM 10412 H1 TIP3 2616 78.537 40.962 60.978 1.00 0.00 WT1 H ATOM 10413 H2 TIP3 2616 77.433 40.977 62.015 1.00 0.00 WT1 H ATOM 10414 OH2 TIP3 2617 40.834 78.311 50.812 1.00 0.00 WT1 O ATOM 10415 H1 TIP3 2617 40.267 78.817 50.230 1.00 0.00 WT1 H ATOM 10416 H2 TIP3 2617 41.714 78.651 50.645 1.00 0.00 WT1 H ATOM 10417 OH2 TIP3 2618 45.189 35.170 -9.887 1.00 0.00 WT1 O ATOM 10418 H1 TIP3 2618 45.341 35.572 -9.032 1.00 0.00 WT1 H ATOM 10419 H2 TIP3 2618 44.242 35.033 -9.923 1.00 0.00 WT1 H ATOM 10420 OH2 TIP3 2620 50.757 19.007 7.150 1.00 0.00 WT1 O ATOM 10421 H1 TIP3 2620 51.639 18.983 6.779 1.00 0.00 WT1 H ATOM 10422 H2 TIP3 2620 50.382 18.153 6.934 1.00 0.00 WT1 H ATOM 10423 OH2 TIP3 2623 90.686 90.255 55.853 1.00 0.00 WT1 O ATOM 10424 H1 TIP3 2623 89.956 90.861 55.982 1.00 0.00 WT1 H ATOM 10425 H2 TIP3 2623 90.950 90.005 56.739 1.00 0.00 WT1 H ATOM 10426 OH2 TIP3 2625 37.188 68.223 32.552 1.00 0.00 WT1 O ATOM 10427 H1 TIP3 2625 37.693 68.984 32.840 1.00 0.00 WT1 H ATOM 10428 H2 TIP3 2625 37.258 68.237 31.597 1.00 0.00 WT1 H ATOM 10429 OH2 TIP3 2626 34.704 91.634 -9.329 1.00 0.00 WT1 O ATOM 10430 H1 TIP3 2626 34.892 92.331 -8.701 1.00 0.00 WT1 H ATOM 10431 H2 TIP3 2626 33.929 91.196 -8.977 1.00 0.00 WT1 H ATOM 10432 OH2 TIP3 2627 72.342 76.852 46.848 1.00 0.00 WT1 O ATOM 10433 H1 TIP3 2627 72.047 76.137 47.412 1.00 0.00 WT1 H ATOM 10434 H2 TIP3 2627 72.585 76.426 46.026 1.00 0.00 WT1 H ATOM 10435 OH2 TIP3 2628 36.267 52.603 36.221 1.00 0.00 WT1 O ATOM 10436 H1 TIP3 2628 36.040 53.529 36.140 1.00 0.00 WT1 H ATOM 10437 H2 TIP3 2628 35.621 52.250 36.833 1.00 0.00 WT1 H ATOM 10438 OH2 TIP3 2629 32.895 19.367 52.829 1.00 0.00 WT1 O ATOM 10439 H1 TIP3 2629 33.402 19.014 53.560 1.00 0.00 WT1 H ATOM 10440 H2 TIP3 2629 32.974 18.705 52.141 1.00 0.00 WT1 H ATOM 10441 OH2 TIP3 2631 26.163 43.870 2.496 1.00 0.00 WT1 O ATOM 10442 H1 TIP3 2631 26.469 43.367 3.251 1.00 0.00 WT1 H ATOM 10443 H2 TIP3 2631 25.817 44.680 2.872 1.00 0.00 WT1 H ATOM 10444 OH2 TIP3 2632 80.109 45.412 12.057 1.00 0.00 WT1 O ATOM 10445 H1 TIP3 2632 79.353 45.617 11.505 1.00 0.00 WT1 H ATOM 10446 H2 TIP3 2632 80.715 44.956 11.473 1.00 0.00 WT1 H ATOM 10447 OH2 TIP3 2634 30.522 92.400 3.886 1.00 0.00 WT1 O ATOM 10448 H1 TIP3 2634 29.686 92.676 3.510 1.00 0.00 WT1 H ATOM 10449 H2 TIP3 2634 30.326 91.573 4.326 1.00 0.00 WT1 H ATOM 10450 OH2 TIP3 2635 89.497 94.558 -14.661 1.00 0.00 WT1 O ATOM 10451 H1 TIP3 2635 89.831 95.077 -13.929 1.00 0.00 WT1 H ATOM 10452 H2 TIP3 2635 89.958 93.722 -14.594 1.00 0.00 WT1 H ATOM 10453 OH2 TIP3 2637 57.045 51.887 21.153 1.00 0.00 WT1 O ATOM 10454 H1 TIP3 2637 57.118 51.409 20.327 1.00 0.00 WT1 H ATOM 10455 H2 TIP3 2637 56.296 51.488 21.596 1.00 0.00 WT1 H ATOM 10456 OH2 TIP3 2638 32.688 54.848 -1.421 1.00 0.00 WT1 O ATOM 10457 H1 TIP3 2638 33.173 55.586 -1.790 1.00 0.00 WT1 H ATOM 10458 H2 TIP3 2638 32.891 54.870 -0.486 1.00 0.00 WT1 H ATOM 10459 OH2 TIP3 2639 48.305 24.514 45.993 1.00 0.00 WT1 O ATOM 10460 H1 TIP3 2639 47.526 25.051 46.140 1.00 0.00 WT1 H ATOM 10461 H2 TIP3 2639 48.513 24.643 45.067 1.00 0.00 WT1 H ATOM 10462 OH2 TIP3 2641 25.946 85.894 51.446 1.00 0.00 WT1 O ATOM 10463 H1 TIP3 2641 26.753 85.883 51.962 1.00 0.00 WT1 H ATOM 10464 H2 TIP3 2641 25.607 86.783 51.550 1.00 0.00 WT1 H ATOM 10465 OH2 TIP3 2642 79.125 46.150 31.602 1.00 0.00 WT1 O ATOM 10466 H1 TIP3 2642 78.950 47.068 31.397 1.00 0.00 WT1 H ATOM 10467 H2 TIP3 2642 78.387 45.674 31.222 1.00 0.00 WT1 H ATOM 10468 OH2 TIP3 2644 82.414 71.094 27.618 1.00 0.00 WT1 O ATOM 10469 H1 TIP3 2644 83.337 71.030 27.373 1.00 0.00 WT1 H ATOM 10470 H2 TIP3 2644 82.033 70.262 27.337 1.00 0.00 WT1 H ATOM 10471 OH2 TIP3 2646 85.404 23.991 42.092 1.00 0.00 WT1 O ATOM 10472 H1 TIP3 2646 84.935 24.825 42.127 1.00 0.00 WT1 H ATOM 10473 H2 TIP3 2646 85.844 23.926 42.940 1.00 0.00 WT1 H ATOM 10474 OH2 TIP3 2647 75.195 0.681 -18.315 1.00 0.00 WT1 O ATOM 10475 H1 TIP3 2647 75.173 0.936 -19.237 1.00 0.00 WT1 H ATOM 10476 H2 TIP3 2647 76.034 1.014 -17.994 1.00 0.00 WT1 H ATOM 10477 OH2 TIP3 2648 79.397 84.302 -5.538 1.00 0.00 WT1 O ATOM 10478 H1 TIP3 2648 78.888 83.669 -5.032 1.00 0.00 WT1 H ATOM 10479 H2 TIP3 2648 80.309 84.062 -5.373 1.00 0.00 WT1 H ATOM 10480 OH2 TIP3 2649 35.585 7.618 61.810 1.00 0.00 WT1 O ATOM 10481 H1 TIP3 2649 35.463 6.669 61.847 1.00 0.00 WT1 H ATOM 10482 H2 TIP3 2649 35.304 7.929 62.670 1.00 0.00 WT1 H ATOM 10483 OH2 TIP3 2650 34.612 70.599 8.348 1.00 0.00 WT1 O ATOM 10484 H1 TIP3 2650 33.786 71.076 8.426 1.00 0.00 WT1 H ATOM 10485 H2 TIP3 2650 34.772 70.251 9.225 1.00 0.00 WT1 H ATOM 10486 OH2 TIP3 2651 27.971 46.975 -5.646 1.00 0.00 WT1 O ATOM 10487 H1 TIP3 2651 27.205 47.510 -5.853 1.00 0.00 WT1 H ATOM 10488 H2 TIP3 2651 27.922 46.841 -4.700 1.00 0.00 WT1 H ATOM 10489 OH2 TIP3 2653 87.679 82.928 -1.402 1.00 0.00 WT1 O ATOM 10490 H1 TIP3 2653 88.442 83.450 -1.652 1.00 0.00 WT1 H ATOM 10491 H2 TIP3 2653 88.048 82.125 -1.034 1.00 0.00 WT1 H ATOM 10492 OH2 TIP3 2654 25.593 47.654 8.608 1.00 0.00 WT1 O ATOM 10493 H1 TIP3 2654 25.495 48.448 8.084 1.00 0.00 WT1 H ATOM 10494 H2 TIP3 2654 26.449 47.747 9.027 1.00 0.00 WT1 H ATOM 10495 OH2 TIP3 2655 40.975 91.404 18.867 1.00 0.00 WT1 O ATOM 10496 H1 TIP3 2655 41.721 90.807 18.931 1.00 0.00 WT1 H ATOM 10497 H2 TIP3 2655 40.208 90.840 18.967 1.00 0.00 WT1 H ATOM 10498 OH2 TIP3 2656 29.349 13.930 7.647 1.00 0.00 WT1 O ATOM 10499 H1 TIP3 2656 29.169 14.687 8.205 1.00 0.00 WT1 H ATOM 10500 H2 TIP3 2656 30.056 13.465 8.095 1.00 0.00 WT1 H ATOM 10501 OH2 TIP3 2657 89.528 19.918 37.073 1.00 0.00 WT1 O ATOM 10502 H1 TIP3 2657 89.886 20.700 37.492 1.00 0.00 WT1 H ATOM 10503 H2 TIP3 2657 90.038 19.821 36.268 1.00 0.00 WT1 H ATOM 10504 OH2 TIP3 2658 42.000 67.599 18.252 1.00 0.00 WT1 O ATOM 10505 H1 TIP3 2658 42.418 66.776 17.998 1.00 0.00 WT1 H ATOM 10506 H2 TIP3 2658 42.451 67.860 19.055 1.00 0.00 WT1 H ATOM 10507 OH2 TIP3 2659 33.441 89.709 -2.949 1.00 0.00 WT1 O ATOM 10508 H1 TIP3 2659 33.741 88.909 -2.518 1.00 0.00 WT1 H ATOM 10509 H2 TIP3 2659 34.115 89.897 -3.603 1.00 0.00 WT1 H ATOM 10510 OH2 TIP3 2660 54.979 95.598 15.109 1.00 0.00 WT1 O ATOM 10511 H1 TIP3 2660 54.726 96.476 14.824 1.00 0.00 WT1 H ATOM 10512 H2 TIP3 2660 54.154 95.118 15.168 1.00 0.00 WT1 H ATOM 10513 OH2 TIP3 2661 88.073 74.909 15.150 1.00 0.00 WT1 O ATOM 10514 H1 TIP3 2661 88.337 75.567 14.507 1.00 0.00 WT1 H ATOM 10515 H2 TIP3 2661 87.941 75.403 15.959 1.00 0.00 WT1 H ATOM 10516 OH2 TIP3 2662 42.548 4.308 9.281 1.00 0.00 WT1 O ATOM 10517 H1 TIP3 2662 41.881 4.717 8.731 1.00 0.00 WT1 H ATOM 10518 H2 TIP3 2662 42.209 4.392 10.172 1.00 0.00 WT1 H ATOM 10519 OH2 TIP3 2663 82.846 52.905 26.983 1.00 0.00 WT1 O ATOM 10520 H1 TIP3 2663 81.913 52.698 26.935 1.00 0.00 WT1 H ATOM 10521 H2 TIP3 2663 83.145 52.484 27.789 1.00 0.00 WT1 H ATOM 10522 OH2 TIP3 2664 81.447 68.858 7.499 1.00 0.00 WT1 O ATOM 10523 H1 TIP3 2664 81.524 69.179 6.601 1.00 0.00 WT1 H ATOM 10524 H2 TIP3 2664 81.031 68.001 7.413 1.00 0.00 WT1 H ATOM 10525 OH2 TIP3 2665 51.847 78.741 -8.059 1.00 0.00 WT1 O ATOM 10526 H1 TIP3 2665 51.839 78.051 -8.722 1.00 0.00 WT1 H ATOM 10527 H2 TIP3 2665 52.503 78.455 -7.423 1.00 0.00 WT1 H ATOM 10528 OH2 TIP3 2666 39.402 66.428 52.477 1.00 0.00 WT1 O ATOM 10529 H1 TIP3 2666 40.216 65.924 52.448 1.00 0.00 WT1 H ATOM 10530 H2 TIP3 2666 39.217 66.532 53.410 1.00 0.00 WT1 H ATOM 10531 OH2 TIP3 2667 60.572 80.433 53.464 1.00 0.00 WT1 O ATOM 10532 H1 TIP3 2667 60.826 80.751 52.598 1.00 0.00 WT1 H ATOM 10533 H2 TIP3 2667 59.644 80.656 53.538 1.00 0.00 WT1 H ATOM 10534 OH2 TIP3 2668 45.248 82.588 50.997 1.00 0.00 WT1 O ATOM 10535 H1 TIP3 2668 45.687 81.781 51.266 1.00 0.00 WT1 H ATOM 10536 H2 TIP3 2668 45.583 82.762 50.117 1.00 0.00 WT1 H ATOM 10537 OH2 TIP3 2669 74.258 88.379 44.499 1.00 0.00 WT1 O ATOM 10538 H1 TIP3 2669 74.913 88.814 43.953 1.00 0.00 WT1 H ATOM 10539 H2 TIP3 2669 73.686 89.087 44.797 1.00 0.00 WT1 H ATOM 10540 OH2 TIP3 2670 24.174 70.554 38.748 1.00 0.00 WT1 O ATOM 10541 H1 TIP3 2670 24.823 71.225 38.958 1.00 0.00 WT1 H ATOM 10542 H2 TIP3 2670 24.431 70.234 37.883 1.00 0.00 WT1 H ATOM 10543 OH2 TIP3 2672 89.047 31.576 22.691 1.00 0.00 WT1 O ATOM 10544 H1 TIP3 2672 89.574 31.203 21.984 1.00 0.00 WT1 H ATOM 10545 H2 TIP3 2672 89.681 31.797 23.373 1.00 0.00 WT1 H ATOM 10546 OH2 TIP3 2673 79.977 4.804 -8.181 1.00 0.00 WT1 O ATOM 10547 H1 TIP3 2673 79.521 5.575 -8.518 1.00 0.00 WT1 H ATOM 10548 H2 TIP3 2673 79.900 4.876 -7.230 1.00 0.00 WT1 H ATOM 10549 OH2 TIP3 2674 28.728 79.651 23.492 1.00 0.00 WT1 O ATOM 10550 H1 TIP3 2674 28.332 79.426 22.650 1.00 0.00 WT1 H ATOM 10551 H2 TIP3 2674 28.153 80.324 23.855 1.00 0.00 WT1 H ATOM 10552 OH2 TIP3 2675 61.974 53.330 -15.763 1.00 0.00 WT1 O ATOM 10553 H1 TIP3 2675 62.750 53.514 -15.235 1.00 0.00 WT1 H ATOM 10554 H2 TIP3 2675 61.359 54.028 -15.538 1.00 0.00 WT1 H ATOM 10555 OH2 TIP3 2676 59.703 21.986 14.811 1.00 0.00 WT1 O ATOM 10556 H1 TIP3 2676 59.125 21.294 14.488 1.00 0.00 WT1 H ATOM 10557 H2 TIP3 2676 59.674 21.897 15.764 1.00 0.00 WT1 H ATOM 10558 OH2 TIP3 2677 55.417 78.847 36.046 1.00 0.00 WT1 O ATOM 10559 H1 TIP3 2677 56.170 78.442 35.616 1.00 0.00 WT1 H ATOM 10560 H2 TIP3 2677 54.676 78.290 35.807 1.00 0.00 WT1 H ATOM 10561 OH2 TIP3 2678 74.594 60.446 14.999 1.00 0.00 WT1 O ATOM 10562 H1 TIP3 2678 74.847 61.284 14.612 1.00 0.00 WT1 H ATOM 10563 H2 TIP3 2678 73.870 60.138 14.454 1.00 0.00 WT1 H ATOM 10564 OH2 TIP3 2679 28.998 27.873 11.324 1.00 0.00 WT1 O ATOM 10565 H1 TIP3 2679 29.349 26.992 11.458 1.00 0.00 WT1 H ATOM 10566 H2 TIP3 2679 28.103 27.827 11.660 1.00 0.00 WT1 H ATOM 10567 OH2 TIP3 2680 80.602 29.130 14.856 1.00 0.00 WT1 O ATOM 10568 H1 TIP3 2680 79.911 28.468 14.819 1.00 0.00 WT1 H ATOM 10569 H2 TIP3 2680 80.244 29.878 14.377 1.00 0.00 WT1 H ATOM 10570 OH2 TIP3 2681 45.656 16.458 39.257 1.00 0.00 WT1 O ATOM 10571 H1 TIP3 2681 44.891 16.044 39.657 1.00 0.00 WT1 H ATOM 10572 H2 TIP3 2681 45.461 17.395 39.279 1.00 0.00 WT1 H ATOM 10573 OH2 TIP3 2682 86.514 93.456 23.049 1.00 0.00 WT1 O ATOM 10574 H1 TIP3 2682 85.682 93.323 23.504 1.00 0.00 WT1 H ATOM 10575 H2 TIP3 2682 86.341 93.183 22.148 1.00 0.00 WT1 H ATOM 10576 OH2 TIP3 2683 75.972 80.677 -5.583 1.00 0.00 WT1 O ATOM 10577 H1 TIP3 2683 76.491 80.228 -4.915 1.00 0.00 WT1 H ATOM 10578 H2 TIP3 2683 76.620 81.031 -6.192 1.00 0.00 WT1 H ATOM 10579 OH2 TIP3 2684 69.252 21.871 7.857 1.00 0.00 WT1 O ATOM 10580 H1 TIP3 2684 68.329 21.769 8.088 1.00 0.00 WT1 H ATOM 10581 H2 TIP3 2684 69.280 21.725 6.911 1.00 0.00 WT1 H ATOM 10582 OH2 TIP3 2685 73.700 81.974 55.840 1.00 0.00 WT1 O ATOM 10583 H1 TIP3 2685 74.492 82.478 55.653 1.00 0.00 WT1 H ATOM 10584 H2 TIP3 2685 73.352 81.745 54.978 1.00 0.00 WT1 H ATOM 10585 OH2 TIP3 2686 67.257 6.143 -8.540 1.00 0.00 WT1 O ATOM 10586 H1 TIP3 2686 66.484 6.486 -8.093 1.00 0.00 WT1 H ATOM 10587 H2 TIP3 2686 67.074 6.271 -9.470 1.00 0.00 WT1 H ATOM 10588 OH2 TIP3 2688 53.114 20.788 13.536 1.00 0.00 WT1 O ATOM 10589 H1 TIP3 2688 52.266 20.454 13.242 1.00 0.00 WT1 H ATOM 10590 H2 TIP3 2688 53.027 21.740 13.485 1.00 0.00 WT1 H ATOM 10591 OH2 TIP3 2689 52.767 17.727 12.576 1.00 0.00 WT1 O ATOM 10592 H1 TIP3 2689 51.926 18.089 12.855 1.00 0.00 WT1 H ATOM 10593 H2 TIP3 2689 53.335 17.822 13.340 1.00 0.00 WT1 H ATOM 10594 OH2 TIP3 2690 66.498 0.072 53.257 1.00 0.00 WT1 O ATOM 10595 H1 TIP3 2690 67.263 0.574 52.974 1.00 0.00 WT1 H ATOM 10596 H2 TIP3 2690 66.789 -0.839 53.239 1.00 0.00 WT1 H ATOM 10597 OH2 TIP3 2691 25.279 0.009 63.798 1.00 0.00 WT1 O ATOM 10598 H1 TIP3 2691 24.800 0.368 64.545 1.00 0.00 WT1 H ATOM 10599 H2 TIP3 2691 24.918 0.467 63.039 1.00 0.00 WT1 H ATOM 10600 OH2 TIP3 2692 49.957 91.113 5.734 1.00 0.00 WT1 O ATOM 10601 H1 TIP3 2692 49.452 91.103 6.548 1.00 0.00 WT1 H ATOM 10602 H2 TIP3 2692 50.800 91.495 5.979 1.00 0.00 WT1 H ATOM 10603 OH2 TIP3 2693 73.719 89.390 24.341 1.00 0.00 WT1 O ATOM 10604 H1 TIP3 2693 74.107 90.182 23.968 1.00 0.00 WT1 H ATOM 10605 H2 TIP3 2693 73.929 88.701 23.711 1.00 0.00 WT1 H ATOM 10606 OH2 TIP3 2694 38.591 20.221 4.202 1.00 0.00 WT1 O ATOM 10607 H1 TIP3 2694 38.394 19.763 5.020 1.00 0.00 WT1 H ATOM 10608 H2 TIP3 2694 37.830 20.784 4.054 1.00 0.00 WT1 H ATOM 10609 OH2 TIP3 2695 42.185 12.896 17.046 1.00 0.00 WT1 O ATOM 10610 H1 TIP3 2695 42.794 12.615 16.364 1.00 0.00 WT1 H ATOM 10611 H2 TIP3 2695 41.579 13.487 16.598 1.00 0.00 WT1 H ATOM 10612 OH2 TIP3 2696 58.175 38.104 -8.890 1.00 0.00 WT1 O ATOM 10613 H1 TIP3 2696 58.015 39.047 -8.859 1.00 0.00 WT1 H ATOM 10614 H2 TIP3 2696 57.852 37.778 -8.050 1.00 0.00 WT1 H ATOM 10615 OH2 TIP3 2697 47.429 20.915 37.954 1.00 0.00 WT1 O ATOM 10616 H1 TIP3 2697 47.445 21.866 38.056 1.00 0.00 WT1 H ATOM 10617 H2 TIP3 2697 47.426 20.775 37.007 1.00 0.00 WT1 H ATOM 10618 OH2 TIP3 2698 41.458 54.257 46.558 1.00 0.00 WT1 O ATOM 10619 H1 TIP3 2698 41.201 54.920 45.917 1.00 0.00 WT1 H ATOM 10620 H2 TIP3 2698 42.213 53.821 46.164 1.00 0.00 WT1 H ATOM 10621 OH2 TIP3 2700 87.047 3.277 54.007 1.00 0.00 WT1 O ATOM 10622 H1 TIP3 2700 86.675 4.141 54.184 1.00 0.00 WT1 H ATOM 10623 H2 TIP3 2700 87.514 3.047 54.810 1.00 0.00 WT1 H ATOM 10624 OH2 TIP3 2701 24.828 72.646 14.839 1.00 0.00 WT1 O ATOM 10625 H1 TIP3 2701 25.704 72.509 15.201 1.00 0.00 WT1 H ATOM 10626 H2 TIP3 2701 24.572 71.789 14.498 1.00 0.00 WT1 H ATOM 10627 OH2 TIP3 2702 45.910 -0.045 -18.268 1.00 0.00 WT1 O ATOM 10628 H1 TIP3 2702 45.750 0.825 -17.902 1.00 0.00 WT1 H ATOM 10629 H2 TIP3 2702 45.245 -0.602 -17.864 1.00 0.00 WT1 H ATOM 10630 OH2 TIP3 2703 42.239 13.277 35.709 1.00 0.00 WT1 O ATOM 10631 H1 TIP3 2703 42.134 12.778 34.899 1.00 0.00 WT1 H ATOM 10632 H2 TIP3 2703 43.125 13.072 36.005 1.00 0.00 WT1 H ATOM 10633 OH2 TIP3 2705 86.759 86.086 51.736 1.00 0.00 WT1 O ATOM 10634 H1 TIP3 2705 86.704 87.027 51.567 1.00 0.00 WT1 H ATOM 10635 H2 TIP3 2705 86.213 85.688 51.058 1.00 0.00 WT1 H ATOM 10636 OH2 TIP3 2706 53.876 1.876 6.682 1.00 0.00 WT1 O ATOM 10637 H1 TIP3 2706 53.487 2.433 7.357 1.00 0.00 WT1 H ATOM 10638 H2 TIP3 2706 53.602 0.989 6.915 1.00 0.00 WT1 H ATOM 10639 OH2 TIP3 2707 77.307 20.038 46.339 1.00 0.00 WT1 O ATOM 10640 H1 TIP3 2707 78.147 19.661 46.079 1.00 0.00 WT1 H ATOM 10641 H2 TIP3 2707 77.521 20.927 46.624 1.00 0.00 WT1 H ATOM 10642 OH2 TIP3 2708 87.662 16.515 56.137 1.00 0.00 WT1 O ATOM 10643 H1 TIP3 2708 87.202 17.354 56.163 1.00 0.00 WT1 H ATOM 10644 H2 TIP3 2708 88.586 16.751 56.048 1.00 0.00 WT1 H ATOM 10645 OH2 TIP3 2709 50.098 95.134 1.848 1.00 0.00 WT1 O ATOM 10646 H1 TIP3 2709 50.359 94.271 1.526 1.00 0.00 WT1 H ATOM 10647 H2 TIP3 2709 50.903 95.651 1.827 1.00 0.00 WT1 H ATOM 10648 OH2 TIP3 2710 67.370 21.593 53.576 1.00 0.00 WT1 O ATOM 10649 H1 TIP3 2710 67.252 22.425 53.118 1.00 0.00 WT1 H ATOM 10650 H2 TIP3 2710 68.089 21.755 54.187 1.00 0.00 WT1 H ATOM 10651 OH2 TIP3 2711 35.668 64.414 -6.243 1.00 0.00 WT1 O ATOM 10652 H1 TIP3 2711 36.568 64.164 -6.455 1.00 0.00 WT1 H ATOM 10653 H2 TIP3 2711 35.211 64.399 -7.084 1.00 0.00 WT1 H ATOM 10654 OH2 TIP3 2712 88.423 82.775 -9.659 1.00 0.00 WT1 O ATOM 10655 H1 TIP3 2712 88.667 82.707 -8.737 1.00 0.00 WT1 H ATOM 10656 H2 TIP3 2712 89.236 83.006 -10.107 1.00 0.00 WT1 H ATOM 10657 OH2 TIP3 2713 22.846 68.987 53.133 1.00 0.00 WT1 O ATOM 10658 H1 TIP3 2713 23.455 69.234 52.437 1.00 0.00 WT1 H ATOM 10659 H2 TIP3 2713 22.064 68.685 52.672 1.00 0.00 WT1 H ATOM 10660 OH2 TIP3 2714 31.499 44.414 31.979 1.00 0.00 WT1 O ATOM 10661 H1 TIP3 2714 31.676 44.500 32.916 1.00 0.00 WT1 H ATOM 10662 H2 TIP3 2714 32.222 43.883 31.646 1.00 0.00 WT1 H ATOM 10663 OH2 TIP3 2715 59.029 20.006 1.612 1.00 0.00 WT1 O ATOM 10664 H1 TIP3 2715 58.168 20.422 1.663 1.00 0.00 WT1 H ATOM 10665 H2 TIP3 2715 59.250 20.025 0.681 1.00 0.00 WT1 H ATOM 10666 OH2 TIP3 2717 56.664 51.348 -2.990 1.00 0.00 WT1 O ATOM 10667 H1 TIP3 2717 56.061 51.920 -2.516 1.00 0.00 WT1 H ATOM 10668 H2 TIP3 2717 57.511 51.487 -2.565 1.00 0.00 WT1 H ATOM 10669 OH2 TIP3 2718 72.666 13.935 5.633 1.00 0.00 WT1 O ATOM 10670 H1 TIP3 2718 73.583 14.011 5.371 1.00 0.00 WT1 H ATOM 10671 H2 TIP3 2718 72.396 13.073 5.315 1.00 0.00 WT1 H ATOM 10672 OH2 TIP3 2719 29.411 13.468 62.247 1.00 0.00 WT1 O ATOM 10673 H1 TIP3 2719 29.475 13.775 63.151 1.00 0.00 WT1 H ATOM 10674 H2 TIP3 2719 29.123 14.235 61.753 1.00 0.00 WT1 H ATOM 10675 OH2 TIP3 2720 45.916 84.281 16.381 1.00 0.00 WT1 O ATOM 10676 H1 TIP3 2720 45.302 83.721 15.907 1.00 0.00 WT1 H ATOM 10677 H2 TIP3 2720 46.002 85.061 15.833 1.00 0.00 WT1 H ATOM 10678 OH2 TIP3 2721 82.737 2.658 53.405 1.00 0.00 WT1 O ATOM 10679 H1 TIP3 2721 83.117 2.220 54.166 1.00 0.00 WT1 H ATOM 10680 H2 TIP3 2721 83.087 3.549 53.441 1.00 0.00 WT1 H ATOM 10681 OH2 TIP3 2722 51.238 62.136 52.137 1.00 0.00 WT1 O ATOM 10682 H1 TIP3 2722 50.538 62.301 51.506 1.00 0.00 WT1 H ATOM 10683 H2 TIP3 2722 51.577 61.273 51.900 1.00 0.00 WT1 H ATOM 10684 OH2 TIP3 2723 69.351 0.604 -14.113 1.00 0.00 WT1 O ATOM 10685 H1 TIP3 2723 68.638 1.058 -13.665 1.00 0.00 WT1 H ATOM 10686 H2 TIP3 2723 69.276 -0.306 -13.823 1.00 0.00 WT1 H ATOM 10687 OH2 TIP3 2724 31.865 3.814 46.187 1.00 0.00 WT1 O ATOM 10688 H1 TIP3 2724 32.778 3.677 45.932 1.00 0.00 WT1 H ATOM 10689 H2 TIP3 2724 31.532 2.935 46.369 1.00 0.00 WT1 H ATOM 10690 OH2 TIP3 2725 89.947 31.596 10.761 1.00 0.00 WT1 O ATOM 10691 H1 TIP3 2725 89.522 32.044 10.030 1.00 0.00 WT1 H ATOM 10692 H2 TIP3 2725 90.877 31.599 10.537 1.00 0.00 WT1 H ATOM 10693 OH2 TIP3 2726 41.210 57.925 54.534 1.00 0.00 WT1 O ATOM 10694 H1 TIP3 2726 40.747 58.763 54.547 1.00 0.00 WT1 H ATOM 10695 H2 TIP3 2726 40.760 57.392 55.189 1.00 0.00 WT1 H ATOM 10696 OH2 TIP3 2727 84.395 52.143 37.286 1.00 0.00 WT1 O ATOM 10697 H1 TIP3 2727 84.873 52.570 37.997 1.00 0.00 WT1 H ATOM 10698 H2 TIP3 2727 84.202 52.849 36.669 1.00 0.00 WT1 H ATOM 10699 OH2 TIP3 2728 78.920 84.629 43.665 1.00 0.00 WT1 O ATOM 10700 H1 TIP3 2728 79.810 84.589 43.314 1.00 0.00 WT1 H ATOM 10701 H2 TIP3 2728 78.664 85.546 43.565 1.00 0.00 WT1 H ATOM 10702 OH2 TIP3 2729 61.470 11.788 -8.720 1.00 0.00 WT1 O ATOM 10703 H1 TIP3 2729 61.849 11.183 -8.082 1.00 0.00 WT1 H ATOM 10704 H2 TIP3 2729 60.550 11.532 -8.777 1.00 0.00 WT1 H ATOM 10705 OH2 TIP3 2730 30.324 11.884 45.179 1.00 0.00 WT1 O ATOM 10706 H1 TIP3 2730 30.851 12.663 45.354 1.00 0.00 WT1 H ATOM 10707 H2 TIP3 2730 29.665 11.879 45.873 1.00 0.00 WT1 H ATOM 10708 OH2 TIP3 2732 31.449 80.055 1.840 1.00 0.00 WT1 O ATOM 10709 H1 TIP3 2732 30.601 80.228 1.431 1.00 0.00 WT1 H ATOM 10710 H2 TIP3 2732 31.996 80.796 1.581 1.00 0.00 WT1 H ATOM 10711 OH2 TIP3 2733 64.510 85.574 54.105 1.00 0.00 WT1 O ATOM 10712 H1 TIP3 2733 64.845 84.720 54.378 1.00 0.00 WT1 H ATOM 10713 H2 TIP3 2733 64.408 85.500 53.156 1.00 0.00 WT1 H ATOM 10714 OH2 TIP3 2734 43.280 91.821 57.256 1.00 0.00 WT1 O ATOM 10715 H1 TIP3 2734 43.021 92.518 56.652 1.00 0.00 WT1 H ATOM 10716 H2 TIP3 2734 42.565 91.186 57.209 1.00 0.00 WT1 H ATOM 10717 OH2 TIP3 2735 33.313 22.547 31.672 1.00 0.00 WT1 O ATOM 10718 H1 TIP3 2735 33.936 23.093 31.192 1.00 0.00 WT1 H ATOM 10719 H2 TIP3 2735 33.274 22.937 32.545 1.00 0.00 WT1 H ATOM 10720 OH2 TIP3 2736 75.858 44.746 3.708 1.00 0.00 WT1 O ATOM 10721 H1 TIP3 2736 76.518 45.231 3.213 1.00 0.00 WT1 H ATOM 10722 H2 TIP3 2736 75.246 45.416 4.014 1.00 0.00 WT1 H ATOM 10723 OH2 TIP3 2737 28.335 13.177 12.407 1.00 0.00 WT1 O ATOM 10724 H1 TIP3 2737 28.316 12.982 11.470 1.00 0.00 WT1 H ATOM 10725 H2 TIP3 2737 27.477 13.562 12.589 1.00 0.00 WT1 H ATOM 10726 OH2 TIP3 2738 25.290 92.701 42.187 1.00 0.00 WT1 O ATOM 10727 H1 TIP3 2738 25.196 92.055 41.486 1.00 0.00 WT1 H ATOM 10728 H2 TIP3 2738 24.987 93.522 41.799 1.00 0.00 WT1 H ATOM 10729 OH2 TIP3 2739 50.842 18.791 2.331 1.00 0.00 WT1 O ATOM 10730 H1 TIP3 2739 50.066 18.931 2.873 1.00 0.00 WT1 H ATOM 10731 H2 TIP3 2739 50.907 19.582 1.796 1.00 0.00 WT1 H ATOM 10732 OH2 TIP3 2740 24.715 79.289 57.107 1.00 0.00 WT1 O ATOM 10733 H1 TIP3 2740 24.983 78.918 57.948 1.00 0.00 WT1 H ATOM 10734 H2 TIP3 2740 24.371 78.544 56.615 1.00 0.00 WT1 H ATOM 10735 OH2 TIP3 2741 25.150 73.817 -0.916 1.00 0.00 WT1 O ATOM 10736 H1 TIP3 2741 25.430 74.332 -0.159 1.00 0.00 WT1 H ATOM 10737 H2 TIP3 2741 25.185 72.909 -0.614 1.00 0.00 WT1 H ATOM 10738 OH2 TIP3 2742 66.641 29.593 31.315 1.00 0.00 WT1 O ATOM 10739 H1 TIP3 2742 66.885 28.834 31.845 1.00 0.00 WT1 H ATOM 10740 H2 TIP3 2742 65.868 29.307 30.828 1.00 0.00 WT1 H ATOM 10741 OH2 TIP3 2743 48.030 0.464 -11.464 1.00 0.00 WT1 O ATOM 10742 H1 TIP3 2743 47.186 0.915 -11.451 1.00 0.00 WT1 H ATOM 10743 H2 TIP3 2743 47.898 -0.276 -12.057 1.00 0.00 WT1 H ATOM 10744 OH2 TIP3 2744 50.508 19.807 44.822 1.00 0.00 WT1 O ATOM 10745 H1 TIP3 2744 49.940 20.177 45.499 1.00 0.00 WT1 H ATOM 10746 H2 TIP3 2744 50.731 18.934 45.147 1.00 0.00 WT1 H ATOM 10747 OH2 TIP3 2745 40.168 21.634 49.609 1.00 0.00 WT1 O ATOM 10748 H1 TIP3 2745 40.809 21.402 48.937 1.00 0.00 WT1 H ATOM 10749 H2 TIP3 2745 39.357 21.786 49.124 1.00 0.00 WT1 H ATOM 10750 OH2 TIP3 2746 29.727 93.808 30.451 1.00 0.00 WT1 O ATOM 10751 H1 TIP3 2746 29.140 94.564 30.435 1.00 0.00 WT1 H ATOM 10752 H2 TIP3 2746 29.663 93.474 31.345 1.00 0.00 WT1 H ATOM 10753 OH2 TIP3 2747 67.328 3.358 -2.480 1.00 0.00 WT1 O ATOM 10754 H1 TIP3 2747 67.394 4.312 -2.472 1.00 0.00 WT1 H ATOM 10755 H2 TIP3 2747 67.583 3.107 -3.368 1.00 0.00 WT1 H ATOM 10756 OH2 TIP3 2748 28.472 18.641 10.633 1.00 0.00 WT1 O ATOM 10757 H1 TIP3 2748 28.402 19.595 10.609 1.00 0.00 WT1 H ATOM 10758 H2 TIP3 2748 28.814 18.448 11.506 1.00 0.00 WT1 H ATOM 10759 OH2 TIP3 2749 44.877 92.330 -8.830 1.00 0.00 WT1 O ATOM 10760 H1 TIP3 2749 45.508 92.109 -8.145 1.00 0.00 WT1 H ATOM 10761 H2 TIP3 2749 44.022 92.210 -8.417 1.00 0.00 WT1 H ATOM 10762 OH2 TIP3 2750 48.314 86.530 -0.309 1.00 0.00 WT1 O ATOM 10763 H1 TIP3 2750 48.706 85.660 -0.388 1.00 0.00 WT1 H ATOM 10764 H2 TIP3 2750 49.044 87.101 -0.066 1.00 0.00 WT1 H ATOM 10765 OH2 TIP3 2752 24.427 37.405 16.559 1.00 0.00 WT1 O ATOM 10766 H1 TIP3 2752 25.193 37.152 16.043 1.00 0.00 WT1 H ATOM 10767 H2 TIP3 2752 24.298 38.332 16.359 1.00 0.00 WT1 H ATOM 10768 OH2 TIP3 2753 30.913 18.472 15.365 1.00 0.00 WT1 O ATOM 10769 H1 TIP3 2753 30.869 19.219 15.963 1.00 0.00 WT1 H ATOM 10770 H2 TIP3 2753 31.511 18.754 14.673 1.00 0.00 WT1 H ATOM 10771 OH2 TIP3 2754 51.239 26.583 59.213 1.00 0.00 WT1 O ATOM 10772 H1 TIP3 2754 50.995 26.020 58.479 1.00 0.00 WT1 H ATOM 10773 H2 TIP3 2754 52.195 26.629 59.173 1.00 0.00 WT1 H ATOM 10774 OH2 TIP3 2755 41.067 92.630 -3.742 1.00 0.00 WT1 O ATOM 10775 H1 TIP3 2755 40.126 92.616 -3.567 1.00 0.00 WT1 H ATOM 10776 H2 TIP3 2755 41.462 92.240 -2.962 1.00 0.00 WT1 H ATOM 10777 OH2 TIP3 2756 35.884 20.016 -0.241 1.00 0.00 WT1 O ATOM 10778 H1 TIP3 2756 36.311 20.791 0.123 1.00 0.00 WT1 H ATOM 10779 H2 TIP3 2756 36.213 19.958 -1.138 1.00 0.00 WT1 H ATOM 10780 OH2 TIP3 2757 83.959 64.500 -14.044 1.00 0.00 WT1 O ATOM 10781 H1 TIP3 2757 83.354 64.264 -14.748 1.00 0.00 WT1 H ATOM 10782 H2 TIP3 2757 84.623 63.811 -14.057 1.00 0.00 WT1 H ATOM 10783 OH2 TIP3 2758 26.580 75.054 7.543 1.00 0.00 WT1 O ATOM 10784 H1 TIP3 2758 26.582 74.187 7.948 1.00 0.00 WT1 H ATOM 10785 H2 TIP3 2758 27.175 75.573 8.084 1.00 0.00 WT1 H ATOM 10786 OH2 TIP3 2760 63.146 31.272 18.586 1.00 0.00 WT1 O ATOM 10787 H1 TIP3 2760 62.710 30.713 17.942 1.00 0.00 WT1 H ATOM 10788 H2 TIP3 2760 62.452 31.528 19.192 1.00 0.00 WT1 H ATOM 10789 OH2 TIP3 2761 50.347 85.126 -7.349 1.00 0.00 WT1 O ATOM 10790 H1 TIP3 2761 49.734 85.175 -6.615 1.00 0.00 WT1 H ATOM 10791 H2 TIP3 2761 50.051 84.373 -7.859 1.00 0.00 WT1 H ATOM 10792 OH2 TIP3 2763 41.335 64.033 39.999 1.00 0.00 WT1 O ATOM 10793 H1 TIP3 2763 41.865 63.934 40.790 1.00 0.00 WT1 H ATOM 10794 H2 TIP3 2763 41.316 64.976 39.839 1.00 0.00 WT1 H ATOM 10795 OH2 TIP3 2764 46.143 53.170 -11.584 1.00 0.00 WT1 O ATOM 10796 H1 TIP3 2764 46.916 53.027 -11.038 1.00 0.00 WT1 H ATOM 10797 H2 TIP3 2764 45.561 52.440 -11.373 1.00 0.00 WT1 H ATOM 10798 OH2 TIP3 2765 37.358 20.831 14.184 1.00 0.00 WT1 O ATOM 10799 H1 TIP3 2765 37.869 20.226 14.721 1.00 0.00 WT1 H ATOM 10800 H2 TIP3 2765 37.516 21.691 14.575 1.00 0.00 WT1 H ATOM 10801 OH2 TIP3 2766 59.753 17.297 58.948 1.00 0.00 WT1 O ATOM 10802 H1 TIP3 2766 59.405 18.084 59.367 1.00 0.00 WT1 H ATOM 10803 H2 TIP3 2766 58.978 16.795 58.697 1.00 0.00 WT1 H ATOM 10804 OH2 TIP3 2767 87.902 61.107 -11.878 1.00 0.00 WT1 O ATOM 10805 H1 TIP3 2767 87.637 60.567 -11.134 1.00 0.00 WT1 H ATOM 10806 H2 TIP3 2767 88.827 61.296 -11.720 1.00 0.00 WT1 H ATOM 10807 OH2 TIP3 2769 31.990 53.518 60.859 1.00 0.00 WT1 O ATOM 10808 H1 TIP3 2769 32.050 54.423 61.164 1.00 0.00 WT1 H ATOM 10809 H2 TIP3 2769 32.438 53.007 61.532 1.00 0.00 WT1 H ATOM 10810 OH2 TIP3 2770 55.364 90.107 -0.389 1.00 0.00 WT1 O ATOM 10811 H1 TIP3 2770 56.169 89.612 -0.236 1.00 0.00 WT1 H ATOM 10812 H2 TIP3 2770 55.513 90.947 0.046 1.00 0.00 WT1 H ATOM 10813 OH2 TIP3 2771 50.668 72.793 -14.989 1.00 0.00 WT1 O ATOM 10814 H1 TIP3 2771 50.286 73.648 -14.795 1.00 0.00 WT1 H ATOM 10815 H2 TIP3 2771 49.964 72.169 -14.810 1.00 0.00 WT1 H ATOM 10816 OH2 TIP3 2772 45.464 18.048 27.558 1.00 0.00 WT1 O ATOM 10817 H1 TIP3 2772 45.447 17.739 26.652 1.00 0.00 WT1 H ATOM 10818 H2 TIP3 2772 46.226 18.626 27.600 1.00 0.00 WT1 H ATOM 10819 OH2 TIP3 2774 69.981 50.604 -15.652 1.00 0.00 WT1 O ATOM 10820 H1 TIP3 2774 70.202 51.373 -15.125 1.00 0.00 WT1 H ATOM 10821 H2 TIP3 2774 69.068 50.419 -15.435 1.00 0.00 WT1 H ATOM 10822 OH2 TIP3 2775 68.249 31.206 16.358 1.00 0.00 WT1 O ATOM 10823 H1 TIP3 2775 68.432 31.608 15.508 1.00 0.00 WT1 H ATOM 10824 H2 TIP3 2775 67.509 30.622 16.193 1.00 0.00 WT1 H ATOM 10825 OH2 TIP3 2776 56.630 33.305 -5.287 1.00 0.00 WT1 O ATOM 10826 H1 TIP3 2776 55.705 33.232 -5.052 1.00 0.00 WT1 H ATOM 10827 H2 TIP3 2776 57.099 33.103 -4.477 1.00 0.00 WT1 H ATOM 10828 OH2 TIP3 2777 43.527 84.254 52.440 1.00 0.00 WT1 O ATOM 10829 H1 TIP3 2777 44.160 84.875 52.799 1.00 0.00 WT1 H ATOM 10830 H2 TIP3 2777 44.062 83.554 52.067 1.00 0.00 WT1 H ATOM 10831 OH2 TIP3 2778 23.565 36.007 21.466 1.00 0.00 WT1 O ATOM 10832 H1 TIP3 2778 22.644 36.205 21.635 1.00 0.00 WT1 H ATOM 10833 H2 TIP3 2778 23.868 36.726 20.912 1.00 0.00 WT1 H ATOM 10834 OH2 TIP3 2779 90.417 74.550 42.245 1.00 0.00 WT1 O ATOM 10835 H1 TIP3 2779 90.469 74.910 41.359 1.00 0.00 WT1 H ATOM 10836 H2 TIP3 2779 89.714 73.902 42.199 1.00 0.00 WT1 H ATOM 10837 OH2 TIP3 2780 44.794 34.880 -14.586 1.00 0.00 WT1 O ATOM 10838 H1 TIP3 2780 45.693 34.554 -14.561 1.00 0.00 WT1 H ATOM 10839 H2 TIP3 2780 44.329 34.354 -13.935 1.00 0.00 WT1 H ATOM 10840 OH2 TIP3 2781 22.769 5.657 63.445 1.00 0.00 WT1 O ATOM 10841 H1 TIP3 2781 21.824 5.504 63.446 1.00 0.00 WT1 H ATOM 10842 H2 TIP3 2781 23.146 4.824 63.162 1.00 0.00 WT1 H ATOM 10843 OH2 TIP3 2784 52.871 30.747 2.691 1.00 0.00 WT1 O ATOM 10844 H1 TIP3 2784 52.954 31.681 2.498 1.00 0.00 WT1 H ATOM 10845 H2 TIP3 2784 52.923 30.693 3.645 1.00 0.00 WT1 H ATOM 10846 OH2 TIP3 2785 72.767 34.493 52.066 1.00 0.00 WT1 O ATOM 10847 H1 TIP3 2785 72.803 35.258 51.492 1.00 0.00 WT1 H ATOM 10848 H2 TIP3 2785 73.496 34.615 52.675 1.00 0.00 WT1 H ATOM 10849 OH2 TIP3 2786 56.251 83.751 34.015 1.00 0.00 WT1 O ATOM 10850 H1 TIP3 2786 55.866 84.498 33.556 1.00 0.00 WT1 H ATOM 10851 H2 TIP3 2786 56.022 82.994 33.475 1.00 0.00 WT1 H ATOM 10852 OH2 TIP3 2788 56.226 2.135 54.354 1.00 0.00 WT1 O ATOM 10853 H1 TIP3 2788 56.906 1.598 54.761 1.00 0.00 WT1 H ATOM 10854 H2 TIP3 2788 55.683 1.510 53.873 1.00 0.00 WT1 H ATOM 10855 OH2 TIP3 2789 85.626 38.043 33.947 1.00 0.00 WT1 O ATOM 10856 H1 TIP3 2789 86.429 38.425 33.592 1.00 0.00 WT1 H ATOM 10857 H2 TIP3 2789 85.636 37.136 33.641 1.00 0.00 WT1 H ATOM 10858 OH2 TIP3 2791 69.239 13.410 0.640 1.00 0.00 WT1 O ATOM 10859 H1 TIP3 2791 69.301 14.269 1.058 1.00 0.00 WT1 H ATOM 10860 H2 TIP3 2791 69.072 12.804 1.362 1.00 0.00 WT1 H ATOM 10861 OH2 TIP3 2792 50.202 17.009 32.756 1.00 0.00 WT1 O ATOM 10862 H1 TIP3 2792 49.349 17.385 32.972 1.00 0.00 WT1 H ATOM 10863 H2 TIP3 2792 50.723 17.125 33.551 1.00 0.00 WT1 H ATOM 10864 OH2 TIP3 2794 65.536 44.205 -2.862 1.00 0.00 WT1 O ATOM 10865 H1 TIP3 2794 64.814 44.831 -2.796 1.00 0.00 WT1 H ATOM 10866 H2 TIP3 2794 66.323 44.731 -2.724 1.00 0.00 WT1 H ATOM 10867 OH2 TIP3 2795 21.854 44.319 54.552 1.00 0.00 WT1 O ATOM 10868 H1 TIP3 2795 21.516 45.092 55.003 1.00 0.00 WT1 H ATOM 10869 H2 TIP3 2795 22.108 44.638 53.686 1.00 0.00 WT1 H ATOM 10870 OH2 TIP3 2796 37.426 59.898 6.061 1.00 0.00 WT1 O ATOM 10871 H1 TIP3 2796 36.486 59.906 6.243 1.00 0.00 WT1 H ATOM 10872 H2 TIP3 2796 37.815 59.471 6.825 1.00 0.00 WT1 H ATOM 10873 OH2 TIP3 2797 49.620 13.718 63.318 1.00 0.00 WT1 O ATOM 10874 H1 TIP3 2797 49.684 14.009 64.228 1.00 0.00 WT1 H ATOM 10875 H2 TIP3 2797 48.896 14.226 62.953 1.00 0.00 WT1 H ATOM 10876 OH2 TIP3 2798 37.005 95.038 -17.372 1.00 0.00 WT1 O ATOM 10877 H1 TIP3 2798 37.365 94.174 -17.170 1.00 0.00 WT1 H ATOM 10878 H2 TIP3 2798 36.580 94.928 -18.222 1.00 0.00 WT1 H ATOM 10879 OH2 TIP3 2800 34.224 35.287 20.685 1.00 0.00 WT1 O ATOM 10880 H1 TIP3 2800 34.722 35.750 21.359 1.00 0.00 WT1 H ATOM 10881 H2 TIP3 2800 34.132 34.397 21.024 1.00 0.00 WT1 H ATOM 10882 OH2 TIP3 2801 43.325 62.087 8.749 1.00 0.00 WT1 O ATOM 10883 H1 TIP3 2801 43.993 62.760 8.622 1.00 0.00 WT1 H ATOM 10884 H2 TIP3 2801 43.582 61.642 9.557 1.00 0.00 WT1 H ATOM 10885 OH2 TIP3 2802 79.232 36.626 48.566 1.00 0.00 WT1 O ATOM 10886 H1 TIP3 2802 79.699 37.419 48.301 1.00 0.00 WT1 H ATOM 10887 H2 TIP3 2802 79.092 36.732 49.507 1.00 0.00 WT1 H ATOM 10888 OH2 TIP3 2804 78.196 27.491 31.922 1.00 0.00 WT1 O ATOM 10889 H1 TIP3 2804 78.038 27.766 32.825 1.00 0.00 WT1 H ATOM 10890 H2 TIP3 2804 78.420 28.299 31.460 1.00 0.00 WT1 H ATOM 10891 OH2 TIP3 2806 35.806 20.797 42.371 1.00 0.00 WT1 O ATOM 10892 H1 TIP3 2806 35.368 20.599 41.543 1.00 0.00 WT1 H ATOM 10893 H2 TIP3 2806 36.278 21.612 42.203 1.00 0.00 WT1 H ATOM 10894 OH2 TIP3 2809 31.454 16.373 27.660 1.00 0.00 WT1 O ATOM 10895 H1 TIP3 2809 32.107 16.161 28.327 1.00 0.00 WT1 H ATOM 10896 H2 TIP3 2809 30.619 16.356 28.127 1.00 0.00 WT1 H ATOM 10897 OH2 TIP3 2810 80.093 76.969 35.180 1.00 0.00 WT1 O ATOM 10898 H1 TIP3 2810 80.555 76.802 36.002 1.00 0.00 WT1 H ATOM 10899 H2 TIP3 2810 79.711 77.840 35.292 1.00 0.00 WT1 H ATOM 10900 OH2 TIP3 2811 64.488 25.748 54.409 1.00 0.00 WT1 O ATOM 10901 H1 TIP3 2811 63.658 25.586 53.960 1.00 0.00 WT1 H ATOM 10902 H2 TIP3 2811 64.335 25.456 55.308 1.00 0.00 WT1 H ATOM 10903 OH2 TIP3 2812 35.919 72.976 23.827 1.00 0.00 WT1 O ATOM 10904 H1 TIP3 2812 36.600 72.607 24.389 1.00 0.00 WT1 H ATOM 10905 H2 TIP3 2812 35.680 72.261 23.238 1.00 0.00 WT1 H ATOM 10906 OH2 TIP3 2813 21.820 76.007 35.029 1.00 0.00 WT1 O ATOM 10907 H1 TIP3 2813 21.708 76.955 34.956 1.00 0.00 WT1 H ATOM 10908 H2 TIP3 2813 22.571 75.897 35.611 1.00 0.00 WT1 H ATOM 10909 OH2 TIP3 2814 65.596 45.431 -18.377 1.00 0.00 WT1 O ATOM 10910 H1 TIP3 2814 64.911 44.962 -17.901 1.00 0.00 WT1 H ATOM 10911 H2 TIP3 2814 65.986 46.012 -17.725 1.00 0.00 WT1 H ATOM 10912 OH2 TIP3 2815 44.207 86.536 11.400 1.00 0.00 WT1 O ATOM 10913 H1 TIP3 2815 43.794 85.999 10.723 1.00 0.00 WT1 H ATOM 10914 H2 TIP3 2815 44.540 87.300 10.930 1.00 0.00 WT1 H ATOM 10915 OH2 TIP3 2816 87.074 21.894 8.516 1.00 0.00 WT1 O ATOM 10916 H1 TIP3 2816 87.082 20.947 8.376 1.00 0.00 WT1 H ATOM 10917 H2 TIP3 2816 87.998 22.133 8.590 1.00 0.00 WT1 H ATOM 10918 OH2 TIP3 2817 74.032 7.938 60.534 1.00 0.00 WT1 O ATOM 10919 H1 TIP3 2817 74.088 7.030 60.236 1.00 0.00 WT1 H ATOM 10920 H2 TIP3 2817 73.691 7.878 61.426 1.00 0.00 WT1 H ATOM 10921 OH2 TIP3 2818 33.492 14.678 1.289 1.00 0.00 WT1 O ATOM 10922 H1 TIP3 2818 32.832 15.371 1.262 1.00 0.00 WT1 H ATOM 10923 H2 TIP3 2818 32.987 13.866 1.313 1.00 0.00 WT1 H ATOM 10924 OH2 TIP3 2819 50.283 67.009 -9.907 1.00 0.00 WT1 O ATOM 10925 H1 TIP3 2819 50.753 66.395 -9.342 1.00 0.00 WT1 H ATOM 10926 H2 TIP3 2819 49.374 66.959 -9.613 1.00 0.00 WT1 H ATOM 10927 OH2 TIP3 2820 36.285 29.165 27.581 1.00 0.00 WT1 O ATOM 10928 H1 TIP3 2820 36.710 29.553 26.816 1.00 0.00 WT1 H ATOM 10929 H2 TIP3 2820 36.596 29.690 28.319 1.00 0.00 WT1 H ATOM 10930 OH2 TIP3 2821 35.435 96.023 30.812 1.00 0.00 WT1 O ATOM 10931 H1 TIP3 2821 35.065 96.551 31.519 1.00 0.00 WT1 H ATOM 10932 H2 TIP3 2821 34.854 96.177 30.067 1.00 0.00 WT1 H ATOM 10933 OH2 TIP3 2822 77.906 52.457 -6.125 1.00 0.00 WT1 O ATOM 10934 H1 TIP3 2822 78.120 52.896 -5.301 1.00 0.00 WT1 H ATOM 10935 H2 TIP3 2822 77.805 51.535 -5.887 1.00 0.00 WT1 H ATOM 10936 OH2 TIP3 2823 80.880 96.316 2.458 1.00 0.00 WT1 O ATOM 10937 H1 TIP3 2823 80.161 96.015 1.902 1.00 0.00 WT1 H ATOM 10938 H2 TIP3 2823 81.400 96.886 1.891 1.00 0.00 WT1 H ATOM 10939 OH2 TIP3 2824 44.273 24.592 32.605 1.00 0.00 WT1 O ATOM 10940 H1 TIP3 2824 43.979 23.967 33.267 1.00 0.00 WT1 H ATOM 10941 H2 TIP3 2824 44.240 24.104 31.782 1.00 0.00 WT1 H ATOM 10942 OH2 TIP3 2825 49.690 41.426 27.148 1.00 0.00 WT1 O ATOM 10943 H1 TIP3 2825 50.577 41.495 26.796 1.00 0.00 WT1 H ATOM 10944 H2 TIP3 2825 49.136 41.286 26.380 1.00 0.00 WT1 H ATOM 10945 OH2 TIP3 2826 33.071 33.339 3.419 1.00 0.00 WT1 O ATOM 10946 H1 TIP3 2826 33.153 32.941 2.552 1.00 0.00 WT1 H ATOM 10947 H2 TIP3 2826 32.332 33.941 3.338 1.00 0.00 WT1 H ATOM 10948 OH2 TIP3 2827 23.441 13.641 42.124 1.00 0.00 WT1 O ATOM 10949 H1 TIP3 2827 24.093 13.376 42.773 1.00 0.00 WT1 H ATOM 10950 H2 TIP3 2827 22.696 13.946 42.642 1.00 0.00 WT1 H ATOM 10951 OH2 TIP3 2830 32.908 9.497 58.220 1.00 0.00 WT1 O ATOM 10952 H1 TIP3 2830 32.474 10.326 58.422 1.00 0.00 WT1 H ATOM 10953 H2 TIP3 2830 33.532 9.373 58.935 1.00 0.00 WT1 H ATOM 10954 OH2 TIP3 2831 88.377 56.551 -1.499 1.00 0.00 WT1 O ATOM 10955 H1 TIP3 2831 88.515 57.119 -0.741 1.00 0.00 WT1 H ATOM 10956 H2 TIP3 2831 89.097 56.765 -2.093 1.00 0.00 WT1 H ATOM 10957 OH2 TIP3 2832 37.391 13.429 -20.162 1.00 0.00 WT1 O ATOM 10958 H1 TIP3 2832 38.041 13.181 -19.505 1.00 0.00 WT1 H ATOM 10959 H2 TIP3 2832 37.059 14.276 -19.863 1.00 0.00 WT1 H ATOM 10960 OH2 TIP3 2833 59.952 11.259 -12.841 1.00 0.00 WT1 O ATOM 10961 H1 TIP3 2833 59.625 11.063 -11.963 1.00 0.00 WT1 H ATOM 10962 H2 TIP3 2833 60.748 10.734 -12.923 1.00 0.00 WT1 H ATOM 10963 OH2 TIP3 2834 79.548 45.909 49.055 1.00 0.00 WT1 O ATOM 10964 H1 TIP3 2834 78.807 45.912 49.661 1.00 0.00 WT1 H ATOM 10965 H2 TIP3 2834 80.289 45.613 49.585 1.00 0.00 WT1 H ATOM 10966 OH2 TIP3 2835 39.142 46.252 42.665 1.00 0.00 WT1 O ATOM 10967 H1 TIP3 2835 38.885 45.874 43.506 1.00 0.00 WT1 H ATOM 10968 H2 TIP3 2835 39.622 45.551 42.224 1.00 0.00 WT1 H ATOM 10969 OH2 TIP3 2836 55.528 1.020 -7.527 1.00 0.00 WT1 O ATOM 10970 H1 TIP3 2836 55.429 0.107 -7.795 1.00 0.00 WT1 H ATOM 10971 H2 TIP3 2836 54.761 1.195 -6.982 1.00 0.00 WT1 H ATOM 10972 OH2 TIP3 2837 30.499 25.349 18.432 1.00 0.00 WT1 O ATOM 10973 H1 TIP3 2837 29.667 25.611 18.037 1.00 0.00 WT1 H ATOM 10974 H2 TIP3 2837 30.596 25.924 19.191 1.00 0.00 WT1 H ATOM 10975 OH2 TIP3 2838 22.394 42.358 -16.473 1.00 0.00 WT1 O ATOM 10976 H1 TIP3 2838 22.689 41.448 -16.498 1.00 0.00 WT1 H ATOM 10977 H2 TIP3 2838 22.795 42.762 -17.242 1.00 0.00 WT1 H ATOM 10978 OH2 TIP3 2839 87.183 68.914 32.366 1.00 0.00 WT1 O ATOM 10979 H1 TIP3 2839 87.081 69.611 33.014 1.00 0.00 WT1 H ATOM 10980 H2 TIP3 2839 86.735 68.161 32.750 1.00 0.00 WT1 H ATOM 10981 OH2 TIP3 2840 68.968 24.878 -15.139 1.00 0.00 WT1 O ATOM 10982 H1 TIP3 2840 68.102 24.728 -14.762 1.00 0.00 WT1 H ATOM 10983 H2 TIP3 2840 69.223 24.029 -15.501 1.00 0.00 WT1 H ATOM 10984 OH2 TIP3 2841 68.129 45.533 53.242 1.00 0.00 WT1 O ATOM 10985 H1 TIP3 2841 67.196 45.652 53.421 1.00 0.00 WT1 H ATOM 10986 H2 TIP3 2841 68.554 46.270 53.681 1.00 0.00 WT1 H ATOM 10987 OH2 TIP3 2842 77.719 33.146 -18.871 1.00 0.00 WT1 O ATOM 10988 H1 TIP3 2842 77.437 32.240 -18.746 1.00 0.00 WT1 H ATOM 10989 H2 TIP3 2842 78.463 33.250 -18.277 1.00 0.00 WT1 H ATOM 10990 OH2 TIP3 2843 21.796 13.334 -17.550 1.00 0.00 WT1 O ATOM 10991 H1 TIP3 2843 22.211 14.170 -17.337 1.00 0.00 WT1 H ATOM 10992 H2 TIP3 2843 22.497 12.689 -17.463 1.00 0.00 WT1 H ATOM 10993 OH2 TIP3 2844 21.406 48.296 21.519 1.00 0.00 WT1 O ATOM 10994 H1 TIP3 2844 21.286 49.245 21.488 1.00 0.00 WT1 H ATOM 10995 H2 TIP3 2844 22.138 48.166 22.122 1.00 0.00 WT1 H ATOM 10996 OH2 TIP3 2845 40.864 3.651 14.270 1.00 0.00 WT1 O ATOM 10997 H1 TIP3 2845 40.290 4.406 14.394 1.00 0.00 WT1 H ATOM 10998 H2 TIP3 2845 40.711 3.104 15.040 1.00 0.00 WT1 H ATOM 10999 OH2 TIP3 2846 31.301 16.214 4.840 1.00 0.00 WT1 O ATOM 11000 H1 TIP3 2846 32.131 16.033 5.281 1.00 0.00 WT1 H ATOM 11001 H2 TIP3 2846 31.411 17.090 4.471 1.00 0.00 WT1 H ATOM 11002 OH2 TIP3 2849 57.234 15.861 39.382 1.00 0.00 WT1 O ATOM 11003 H1 TIP3 2849 56.857 14.984 39.451 1.00 0.00 WT1 H ATOM 11004 H2 TIP3 2849 56.560 16.441 39.734 1.00 0.00 WT1 H ATOM 11005 OH2 TIP3 2851 63.290 57.964 28.011 1.00 0.00 WT1 O ATOM 11006 H1 TIP3 2851 62.705 57.212 27.912 1.00 0.00 WT1 H ATOM 11007 H2 TIP3 2851 62.766 58.714 27.728 1.00 0.00 WT1 H ATOM 11008 OH2 TIP3 2852 89.382 48.789 11.672 1.00 0.00 WT1 O ATOM 11009 H1 TIP3 2852 89.847 49.252 10.975 1.00 0.00 WT1 H ATOM 11010 H2 TIP3 2852 89.993 48.791 12.410 1.00 0.00 WT1 H ATOM 11011 OH2 TIP3 2853 50.178 75.773 26.241 1.00 0.00 WT1 O ATOM 11012 H1 TIP3 2853 50.225 74.820 26.308 1.00 0.00 WT1 H ATOM 11013 H2 TIP3 2853 49.882 75.936 25.345 1.00 0.00 WT1 H ATOM 11014 OH2 TIP3 2854 50.869 46.178 49.010 1.00 0.00 WT1 O ATOM 11015 H1 TIP3 2854 50.339 46.880 48.633 1.00 0.00 WT1 H ATOM 11016 H2 TIP3 2854 51.085 45.614 48.268 1.00 0.00 WT1 H ATOM 11017 OH2 TIP3 2855 55.411 74.304 -8.439 1.00 0.00 WT1 O ATOM 11018 H1 TIP3 2855 54.676 74.704 -7.975 1.00 0.00 WT1 H ATOM 11019 H2 TIP3 2855 55.478 74.801 -9.255 1.00 0.00 WT1 H ATOM 11020 OH2 TIP3 2856 35.098 41.983 -11.455 1.00 0.00 WT1 O ATOM 11021 H1 TIP3 2856 34.496 42.562 -10.986 1.00 0.00 WT1 H ATOM 11022 H2 TIP3 2856 35.587 42.566 -12.036 1.00 0.00 WT1 H ATOM 11023 OH2 TIP3 2857 80.396 7.893 -15.131 1.00 0.00 WT1 O ATOM 11024 H1 TIP3 2857 80.289 6.946 -15.045 1.00 0.00 WT1 H ATOM 11025 H2 TIP3 2857 81.313 8.053 -14.908 1.00 0.00 WT1 H ATOM 11026 OH2 TIP3 2858 73.769 3.063 -16.784 1.00 0.00 WT1 O ATOM 11027 H1 TIP3 2858 73.432 2.627 -16.002 1.00 0.00 WT1 H ATOM 11028 H2 TIP3 2858 73.396 2.569 -17.514 1.00 0.00 WT1 H ATOM 11029 OH2 TIP3 2859 52.723 33.102 7.681 1.00 0.00 WT1 O ATOM 11030 H1 TIP3 2859 51.891 33.021 8.148 1.00 0.00 WT1 H ATOM 11031 H2 TIP3 2859 53.159 32.261 7.820 1.00 0.00 WT1 H ATOM 11032 OH2 TIP3 2860 20.041 2.362 59.900 1.00 0.00 WT1 O ATOM 11033 H1 TIP3 2860 19.694 3.147 59.476 1.00 0.00 WT1 H ATOM 11034 H2 TIP3 2860 20.948 2.584 60.110 1.00 0.00 WT1 H ATOM 11035 OH2 TIP3 2861 81.605 87.084 46.966 1.00 0.00 WT1 O ATOM 11036 H1 TIP3 2861 80.683 86.954 46.743 1.00 0.00 WT1 H ATOM 11037 H2 TIP3 2861 81.918 87.724 46.327 1.00 0.00 WT1 H ATOM 11038 OH2 TIP3 2862 85.256 76.523 0.831 1.00 0.00 WT1 O ATOM 11039 H1 TIP3 2862 85.966 76.028 0.422 1.00 0.00 WT1 H ATOM 11040 H2 TIP3 2862 84.636 75.856 1.125 1.00 0.00 WT1 H ATOM 11041 OH2 TIP3 2863 57.045 16.907 -10.994 1.00 0.00 WT1 O ATOM 11042 H1 TIP3 2863 57.824 16.440 -10.690 1.00 0.00 WT1 H ATOM 11043 H2 TIP3 2863 56.773 17.433 -10.242 1.00 0.00 WT1 H ATOM 11044 OH2 TIP3 2864 44.522 43.516 24.158 1.00 0.00 WT1 O ATOM 11045 H1 TIP3 2864 44.922 44.222 24.666 1.00 0.00 WT1 H ATOM 11046 H2 TIP3 2864 45.205 43.245 23.545 1.00 0.00 WT1 H ATOM 11047 OH2 TIP3 2865 74.793 49.159 50.123 1.00 0.00 WT1 O ATOM 11048 H1 TIP3 2865 75.048 49.497 50.982 1.00 0.00 WT1 H ATOM 11049 H2 TIP3 2865 74.086 49.738 49.838 1.00 0.00 WT1 H ATOM 11050 OH2 TIP3 2866 41.147 47.065 6.665 1.00 0.00 WT1 O ATOM 11051 H1 TIP3 2866 40.959 47.996 6.781 1.00 0.00 WT1 H ATOM 11052 H2 TIP3 2866 40.468 46.756 6.065 1.00 0.00 WT1 H ATOM 11053 OH2 TIP3 2867 42.141 58.924 -14.849 1.00 0.00 WT1 O ATOM 11054 H1 TIP3 2867 42.673 58.808 -15.636 1.00 0.00 WT1 H ATOM 11055 H2 TIP3 2867 42.392 59.786 -14.515 1.00 0.00 WT1 H ATOM 11056 OH2 TIP3 2868 45.087 44.803 -2.692 1.00 0.00 WT1 O ATOM 11057 H1 TIP3 2868 45.960 44.545 -2.990 1.00 0.00 WT1 H ATOM 11058 H2 TIP3 2868 45.248 45.493 -2.049 1.00 0.00 WT1 H ATOM 11059 OH2 TIP3 2871 50.530 45.770 51.596 1.00 0.00 WT1 O ATOM 11060 H1 TIP3 2871 49.742 46.312 51.554 1.00 0.00 WT1 H ATOM 11061 H2 TIP3 2871 50.868 45.767 50.701 1.00 0.00 WT1 H ATOM 11062 OH2 TIP3 2872 49.105 71.110 51.881 1.00 0.00 WT1 O ATOM 11063 H1 TIP3 2872 48.599 71.264 51.082 1.00 0.00 WT1 H ATOM 11064 H2 TIP3 2872 49.732 71.833 51.911 1.00 0.00 WT1 H ATOM 11065 OH2 TIP3 2873 23.336 89.400 2.698 1.00 0.00 WT1 O ATOM 11066 H1 TIP3 2873 23.813 89.349 3.527 1.00 0.00 WT1 H ATOM 11067 H2 TIP3 2873 22.663 88.723 2.767 1.00 0.00 WT1 H ATOM 11068 OH2 TIP3 2874 67.038 -0.095 3.319 1.00 0.00 WT1 O ATOM 11069 H1 TIP3 2874 67.077 0.717 2.813 1.00 0.00 WT1 H ATOM 11070 H2 TIP3 2874 67.812 -0.063 3.883 1.00 0.00 WT1 H ATOM 11071 OH2 TIP3 2875 32.170 33.443 64.360 1.00 0.00 WT1 O ATOM 11072 H1 TIP3 2875 32.526 34.194 63.885 1.00 0.00 WT1 H ATOM 11073 H2 TIP3 2875 31.289 33.718 64.616 1.00 0.00 WT1 H ATOM 11074 OH2 TIP3 2876 84.038 88.420 37.742 1.00 0.00 WT1 O ATOM 11075 H1 TIP3 2876 84.898 88.398 38.161 1.00 0.00 WT1 H ATOM 11076 H2 TIP3 2876 83.960 87.570 37.308 1.00 0.00 WT1 H ATOM 11077 OH2 TIP3 2877 46.166 10.483 36.732 1.00 0.00 WT1 O ATOM 11078 H1 TIP3 2877 46.524 9.932 36.035 1.00 0.00 WT1 H ATOM 11079 H2 TIP3 2877 46.332 9.991 37.536 1.00 0.00 WT1 H ATOM 11080 OH2 TIP3 2878 70.514 19.300 13.832 1.00 0.00 WT1 O ATOM 11081 H1 TIP3 2878 71.335 19.789 13.770 1.00 0.00 WT1 H ATOM 11082 H2 TIP3 2878 70.780 18.417 14.089 1.00 0.00 WT1 H ATOM 11083 OH2 TIP3 2879 49.668 56.471 -2.339 1.00 0.00 WT1 O ATOM 11084 H1 TIP3 2879 49.492 55.754 -1.731 1.00 0.00 WT1 H ATOM 11085 H2 TIP3 2879 50.476 56.868 -2.015 1.00 0.00 WT1 H ATOM 11086 OH2 TIP3 2880 71.849 68.022 34.195 1.00 0.00 WT1 O ATOM 11087 H1 TIP3 2880 71.851 68.045 33.238 1.00 0.00 WT1 H ATOM 11088 H2 TIP3 2880 71.571 67.132 34.413 1.00 0.00 WT1 H ATOM 11089 OH2 TIP3 2881 70.317 58.113 11.956 1.00 0.00 WT1 O ATOM 11090 H1 TIP3 2881 69.936 57.307 11.607 1.00 0.00 WT1 H ATOM 11091 H2 TIP3 2881 70.903 57.819 12.654 1.00 0.00 WT1 H ATOM 11092 OH2 TIP3 2882 27.783 69.162 22.925 1.00 0.00 WT1 O ATOM 11093 H1 TIP3 2882 27.342 68.879 23.725 1.00 0.00 WT1 H ATOM 11094 H2 TIP3 2882 28.578 68.629 22.887 1.00 0.00 WT1 H ATOM 11095 OH2 TIP3 2883 26.060 70.916 45.478 1.00 0.00 WT1 O ATOM 11096 H1 TIP3 2883 26.577 71.180 44.717 1.00 0.00 WT1 H ATOM 11097 H2 TIP3 2883 25.736 70.043 45.256 1.00 0.00 WT1 H ATOM 11098 OH2 TIP3 2884 79.916 44.738 14.851 1.00 0.00 WT1 O ATOM 11099 H1 TIP3 2884 79.317 45.441 15.102 1.00 0.00 WT1 H ATOM 11100 H2 TIP3 2884 79.986 44.811 13.899 1.00 0.00 WT1 H ATOM 11101 OH2 TIP3 2886 53.563 3.681 -2.239 1.00 0.00 WT1 O ATOM 11102 H1 TIP3 2886 53.172 3.659 -3.113 1.00 0.00 WT1 H ATOM 11103 H2 TIP3 2886 54.398 4.131 -2.362 1.00 0.00 WT1 H ATOM 11104 OH2 TIP3 2887 90.064 34.670 56.757 1.00 0.00 WT1 O ATOM 11105 H1 TIP3 2887 90.284 33.821 57.139 1.00 0.00 WT1 H ATOM 11106 H2 TIP3 2887 90.765 34.839 56.127 1.00 0.00 WT1 H ATOM 11107 OH2 TIP3 2889 80.023 12.912 -0.012 1.00 0.00 WT1 O ATOM 11108 H1 TIP3 2889 79.167 13.329 0.089 1.00 0.00 WT1 H ATOM 11109 H2 TIP3 2889 80.504 13.158 0.778 1.00 0.00 WT1 H ATOM 11110 OH2 TIP3 2890 46.195 52.292 61.871 1.00 0.00 WT1 O ATOM 11111 H1 TIP3 2890 45.449 51.701 61.765 1.00 0.00 WT1 H ATOM 11112 H2 TIP3 2890 46.436 52.210 62.794 1.00 0.00 WT1 H ATOM 11113 OH2 TIP3 2891 67.880 14.660 8.492 1.00 0.00 WT1 O ATOM 11114 H1 TIP3 2891 67.532 14.277 7.687 1.00 0.00 WT1 H ATOM 11115 H2 TIP3 2891 68.586 15.237 8.198 1.00 0.00 WT1 H ATOM 11116 OH2 TIP3 2894 43.560 9.151 9.934 1.00 0.00 WT1 O ATOM 11117 H1 TIP3 2894 42.917 8.463 10.107 1.00 0.00 WT1 H ATOM 11118 H2 TIP3 2894 43.452 9.353 9.005 1.00 0.00 WT1 H ATOM 11119 OH2 TIP3 2895 57.903 93.679 49.699 1.00 0.00 WT1 O ATOM 11120 H1 TIP3 2895 58.606 93.031 49.650 1.00 0.00 WT1 H ATOM 11121 H2 TIP3 2895 57.171 93.275 49.233 1.00 0.00 WT1 H ATOM 11122 OH2 TIP3 2896 61.178 54.905 34.508 1.00 0.00 WT1 O ATOM 11123 H1 TIP3 2896 60.838 54.119 34.936 1.00 0.00 WT1 H ATOM 11124 H2 TIP3 2896 60.530 55.582 34.699 1.00 0.00 WT1 H ATOM 11125 OH2 TIP3 2898 67.703 37.264 -5.008 1.00 0.00 WT1 O ATOM 11126 H1 TIP3 2898 67.618 38.163 -5.324 1.00 0.00 WT1 H ATOM 11127 H2 TIP3 2898 67.079 37.203 -4.285 1.00 0.00 WT1 H ATOM 11128 OH2 TIP3 2899 48.118 78.720 41.064 1.00 0.00 WT1 O ATOM 11129 H1 TIP3 2899 48.288 79.537 41.533 1.00 0.00 WT1 H ATOM 11130 H2 TIP3 2899 47.197 78.777 40.810 1.00 0.00 WT1 H ATOM 11131 OH2 TIP3 2900 52.934 8.393 -6.570 1.00 0.00 WT1 O ATOM 11132 H1 TIP3 2900 52.617 8.663 -7.432 1.00 0.00 WT1 H ATOM 11133 H2 TIP3 2900 52.207 7.897 -6.192 1.00 0.00 WT1 H ATOM 11134 OH2 TIP3 2901 70.104 67.110 57.810 1.00 0.00 WT1 O ATOM 11135 H1 TIP3 2901 69.780 67.136 56.910 1.00 0.00 WT1 H ATOM 11136 H2 TIP3 2901 71.025 67.360 57.740 1.00 0.00 WT1 H ATOM 11137 OH2 TIP3 2902 61.859 59.874 53.407 1.00 0.00 WT1 O ATOM 11138 H1 TIP3 2902 62.373 60.661 53.227 1.00 0.00 WT1 H ATOM 11139 H2 TIP3 2902 61.681 59.500 52.544 1.00 0.00 WT1 H ATOM 11140 OH2 TIP3 2903 70.732 26.739 11.775 1.00 0.00 WT1 O ATOM 11141 H1 TIP3 2903 70.452 27.574 12.149 1.00 0.00 WT1 H ATOM 11142 H2 TIP3 2903 71.320 26.367 12.432 1.00 0.00 WT1 H ATOM 11143 OH2 TIP3 2904 28.806 16.945 1.220 1.00 0.00 WT1 O ATOM 11144 H1 TIP3 2904 29.034 17.496 1.969 1.00 0.00 WT1 H ATOM 11145 H2 TIP3 2904 29.285 16.129 1.368 1.00 0.00 WT1 H ATOM 11146 OH2 TIP3 2905 50.975 59.357 -11.663 1.00 0.00 WT1 O ATOM 11147 H1 TIP3 2905 51.411 59.474 -12.507 1.00 0.00 WT1 H ATOM 11148 H2 TIP3 2905 51.622 59.640 -11.017 1.00 0.00 WT1 H ATOM 11149 OH2 TIP3 2906 77.568 38.536 45.647 1.00 0.00 WT1 O ATOM 11150 H1 TIP3 2906 78.505 38.531 45.453 1.00 0.00 WT1 H ATOM 11151 H2 TIP3 2906 77.496 39.014 46.473 1.00 0.00 WT1 H ATOM 11152 OH2 TIP3 2908 61.441 45.426 5.697 1.00 0.00 WT1 O ATOM 11153 H1 TIP3 2908 61.262 44.803 6.400 1.00 0.00 WT1 H ATOM 11154 H2 TIP3 2908 61.942 46.125 6.117 1.00 0.00 WT1 H ATOM 11155 OH2 TIP3 2909 44.926 45.105 56.387 1.00 0.00 WT1 O ATOM 11156 H1 TIP3 2909 45.160 45.981 56.079 1.00 0.00 WT1 H ATOM 11157 H2 TIP3 2909 44.264 45.256 57.061 1.00 0.00 WT1 H ATOM 11158 OH2 TIP3 2910 76.457 37.182 -11.374 1.00 0.00 WT1 O ATOM 11159 H1 TIP3 2910 75.963 37.686 -10.727 1.00 0.00 WT1 H ATOM 11160 H2 TIP3 2910 77.172 36.786 -10.876 1.00 0.00 WT1 H ATOM 11161 OH2 TIP3 2912 33.529 74.854 36.721 1.00 0.00 WT1 O ATOM 11162 H1 TIP3 2912 33.640 75.732 36.355 1.00 0.00 WT1 H ATOM 11163 H2 TIP3 2912 34.188 74.323 36.273 1.00 0.00 WT1 H ATOM 11164 OH2 TIP3 2913 29.855 19.048 -4.050 1.00 0.00 WT1 O ATOM 11165 H1 TIP3 2913 29.447 19.761 -3.560 1.00 0.00 WT1 H ATOM 11166 H2 TIP3 2913 29.820 18.298 -3.457 1.00 0.00 WT1 H ATOM 11167 OH2 TIP3 2914 51.300 20.012 51.005 1.00 0.00 WT1 O ATOM 11168 H1 TIP3 2914 50.425 19.719 50.749 1.00 0.00 WT1 H ATOM 11169 H2 TIP3 2914 51.332 20.931 50.741 1.00 0.00 WT1 H ATOM 11170 OH2 TIP3 2916 24.663 39.549 23.240 1.00 0.00 WT1 O ATOM 11171 H1 TIP3 2916 25.240 39.646 23.998 1.00 0.00 WT1 H ATOM 11172 H2 TIP3 2916 25.178 39.879 22.504 1.00 0.00 WT1 H ATOM 11173 OH2 TIP3 2917 46.650 40.098 41.429 1.00 0.00 WT1 O ATOM 11174 H1 TIP3 2917 46.409 39.774 42.297 1.00 0.00 WT1 H ATOM 11175 H2 TIP3 2917 46.776 39.308 40.904 1.00 0.00 WT1 H ATOM 11176 OH2 TIP3 2918 67.335 22.447 2.084 1.00 0.00 WT1 O ATOM 11177 H1 TIP3 2918 67.628 22.804 2.923 1.00 0.00 WT1 H ATOM 11178 H2 TIP3 2918 66.809 23.147 1.697 1.00 0.00 WT1 H ATOM 11179 OH2 TIP3 2919 48.344 39.355 31.946 1.00 0.00 WT1 O ATOM 11180 H1 TIP3 2919 48.930 39.013 31.271 1.00 0.00 WT1 H ATOM 11181 H2 TIP3 2919 47.892 38.582 32.285 1.00 0.00 WT1 H ATOM 11182 OH2 TIP3 2920 50.824 67.600 66.451 1.00 0.00 WT1 O ATOM 11183 H1 TIP3 2920 51.433 67.496 67.182 1.00 0.00 WT1 H ATOM 11184 H2 TIP3 2920 50.501 68.497 66.534 1.00 0.00 WT1 H ATOM 11185 OH2 TIP3 2921 34.409 24.242 34.089 1.00 0.00 WT1 O ATOM 11186 H1 TIP3 2921 34.586 24.931 33.449 1.00 0.00 WT1 H ATOM 11187 H2 TIP3 2921 34.189 24.712 34.894 1.00 0.00 WT1 H ATOM 11188 OH2 TIP3 2922 46.667 94.599 8.205 1.00 0.00 WT1 O ATOM 11189 H1 TIP3 2922 46.696 95.539 8.382 1.00 0.00 WT1 H ATOM 11190 H2 TIP3 2922 45.979 94.267 8.782 1.00 0.00 WT1 H ATOM 11191 OH2 TIP3 2923 62.201 35.333 64.151 1.00 0.00 WT1 O ATOM 11192 H1 TIP3 2923 62.533 35.374 65.048 1.00 0.00 WT1 H ATOM 11193 H2 TIP3 2923 62.724 35.974 63.671 1.00 0.00 WT1 H ATOM 11194 OH2 TIP3 2925 31.815 31.328 -8.526 1.00 0.00 WT1 O ATOM 11195 H1 TIP3 2925 32.572 31.421 -9.104 1.00 0.00 WT1 H ATOM 11196 H2 TIP3 2925 31.496 30.440 -8.689 1.00 0.00 WT1 H ATOM 11197 OH2 TIP3 2926 27.667 96.741 26.978 1.00 0.00 WT1 O ATOM 11198 H1 TIP3 2926 27.587 95.791 27.064 1.00 0.00 WT1 H ATOM 11199 H2 TIP3 2926 26.850 97.084 27.340 1.00 0.00 WT1 H ATOM 11200 OH2 TIP3 2927 66.586 95.635 15.566 1.00 0.00 WT1 O ATOM 11201 H1 TIP3 2927 67.501 95.354 15.586 1.00 0.00 WT1 H ATOM 11202 H2 TIP3 2927 66.579 96.385 14.970 1.00 0.00 WT1 H ATOM 11203 OH2 TIP3 2928 22.895 77.339 66.452 1.00 0.00 WT1 O ATOM 11204 H1 TIP3 2928 23.367 78.000 65.946 1.00 0.00 WT1 H ATOM 11205 H2 TIP3 2928 23.559 76.955 67.024 1.00 0.00 WT1 H ATOM 11206 OH2 TIP3 2930 58.479 33.310 -12.513 1.00 0.00 WT1 O ATOM 11207 H1 TIP3 2930 58.667 33.979 -11.854 1.00 0.00 WT1 H ATOM 11208 H2 TIP3 2930 58.019 32.622 -12.031 1.00 0.00 WT1 H ATOM 11209 OH2 TIP3 2931 65.322 66.761 25.329 1.00 0.00 WT1 O ATOM 11210 H1 TIP3 2931 65.343 65.867 25.671 1.00 0.00 WT1 H ATOM 11211 H2 TIP3 2931 64.472 66.831 24.895 1.00 0.00 WT1 H ATOM 11212 OH2 TIP3 2932 88.270 46.431 2.483 1.00 0.00 WT1 O ATOM 11213 H1 TIP3 2932 88.844 46.902 3.088 1.00 0.00 WT1 H ATOM 11214 H2 TIP3 2932 87.468 46.279 2.982 1.00 0.00 WT1 H ATOM 11215 OH2 TIP3 2936 81.424 59.075 37.861 1.00 0.00 WT1 O ATOM 11216 H1 TIP3 2936 81.912 58.751 37.104 1.00 0.00 WT1 H ATOM 11217 H2 TIP3 2936 80.555 58.684 37.771 1.00 0.00 WT1 H ATOM 11218 OH2 TIP3 2937 36.148 52.650 24.802 1.00 0.00 WT1 O ATOM 11219 H1 TIP3 2937 36.485 51.769 24.966 1.00 0.00 WT1 H ATOM 11220 H2 TIP3 2937 36.146 52.733 23.848 1.00 0.00 WT1 H ATOM 11221 OH2 TIP3 2938 77.609 24.000 53.063 1.00 0.00 WT1 O ATOM 11222 H1 TIP3 2938 77.869 24.176 52.159 1.00 0.00 WT1 H ATOM 11223 H2 TIP3 2938 76.660 24.121 53.068 1.00 0.00 WT1 H ATOM 11224 OH2 TIP3 2939 23.116 52.481 26.981 1.00 0.00 WT1 O ATOM 11225 H1 TIP3 2939 22.956 53.377 26.687 1.00 0.00 WT1 H ATOM 11226 H2 TIP3 2939 24.051 52.458 27.183 1.00 0.00 WT1 H ATOM 11227 OH2 TIP3 2941 48.943 1.067 27.446 1.00 0.00 WT1 O ATOM 11228 H1 TIP3 2941 49.281 1.739 28.038 1.00 0.00 WT1 H ATOM 11229 H2 TIP3 2941 48.594 1.557 26.701 1.00 0.00 WT1 H ATOM 11230 OH2 TIP3 2943 87.864 53.371 -12.072 1.00 0.00 WT1 O ATOM 11231 H1 TIP3 2943 87.238 52.689 -11.829 1.00 0.00 WT1 H ATOM 11232 H2 TIP3 2943 88.315 53.019 -12.839 1.00 0.00 WT1 H ATOM 11233 OH2 TIP3 2944 68.829 12.754 50.804 1.00 0.00 WT1 O ATOM 11234 H1 TIP3 2944 67.923 12.568 50.558 1.00 0.00 WT1 H ATOM 11235 H2 TIP3 2944 69.040 13.567 50.345 1.00 0.00 WT1 H ATOM 11236 OH2 TIP3 2945 71.369 53.555 -0.781 1.00 0.00 WT1 O ATOM 11237 H1 TIP3 2945 70.642 54.097 -0.476 1.00 0.00 WT1 H ATOM 11238 H2 TIP3 2945 70.967 52.714 -0.998 1.00 0.00 WT1 H ATOM 11239 OH2 TIP3 2946 37.773 14.913 -15.296 1.00 0.00 WT1 O ATOM 11240 H1 TIP3 2946 37.162 14.186 -15.172 1.00 0.00 WT1 H ATOM 11241 H2 TIP3 2946 38.612 14.579 -14.978 1.00 0.00 WT1 H ATOM 11242 OH2 TIP3 2947 53.748 20.323 21.313 1.00 0.00 WT1 O ATOM 11243 H1 TIP3 2947 53.548 21.175 20.926 1.00 0.00 WT1 H ATOM 11244 H2 TIP3 2947 52.914 19.853 21.304 1.00 0.00 WT1 H ATOM 11245 OH2 TIP3 2950 74.090 66.838 35.592 1.00 0.00 WT1 O ATOM 11246 H1 TIP3 2950 73.335 66.935 35.011 1.00 0.00 WT1 H ATOM 11247 H2 TIP3 2950 73.791 67.184 36.433 1.00 0.00 WT1 H ATOM 11248 OH2 TIP3 2951 50.013 13.346 -19.124 1.00 0.00 WT1 O ATOM 11249 H1 TIP3 2951 49.526 12.557 -19.362 1.00 0.00 WT1 H ATOM 11250 H2 TIP3 2951 49.453 13.792 -18.490 1.00 0.00 WT1 H ATOM 11251 OH2 TIP3 2952 43.989 93.479 -16.447 1.00 0.00 WT1 O ATOM 11252 H1 TIP3 2952 43.991 92.523 -16.498 1.00 0.00 WT1 H ATOM 11253 H2 TIP3 2952 43.074 93.725 -16.580 1.00 0.00 WT1 H ATOM 11254 OH2 TIP3 2956 44.631 19.576 3.034 1.00 0.00 WT1 O ATOM 11255 H1 TIP3 2956 44.011 20.006 2.445 1.00 0.00 WT1 H ATOM 11256 H2 TIP3 2956 44.917 20.270 3.628 1.00 0.00 WT1 H ATOM 11257 OH2 TIP3 2957 26.775 10.021 53.981 1.00 0.00 WT1 O ATOM 11258 H1 TIP3 2957 26.479 9.334 54.578 1.00 0.00 WT1 H ATOM 11259 H2 TIP3 2957 27.698 10.147 54.200 1.00 0.00 WT1 H ATOM 11260 OH2 TIP3 2959 53.037 62.373 -16.465 1.00 0.00 WT1 O ATOM 11261 H1 TIP3 2959 53.634 62.579 -17.184 1.00 0.00 WT1 H ATOM 11262 H2 TIP3 2959 53.273 62.991 -15.773 1.00 0.00 WT1 H ATOM 11263 OH2 TIP3 2960 38.638 42.961 64.733 1.00 0.00 WT1 O ATOM 11264 H1 TIP3 2960 38.850 43.860 64.484 1.00 0.00 WT1 H ATOM 11265 H2 TIP3 2960 37.841 42.757 64.244 1.00 0.00 WT1 H ATOM 11266 OH2 TIP3 2961 88.298 20.940 41.932 1.00 0.00 WT1 O ATOM 11267 H1 TIP3 2961 88.810 21.554 41.406 1.00 0.00 WT1 H ATOM 11268 H2 TIP3 2961 88.156 20.189 41.355 1.00 0.00 WT1 H ATOM 11269 OH2 TIP3 2962 40.962 93.670 40.250 1.00 0.00 WT1 O ATOM 11270 H1 TIP3 2962 40.289 94.229 39.861 1.00 0.00 WT1 H ATOM 11271 H2 TIP3 2962 41.218 93.077 39.545 1.00 0.00 WT1 H ATOM 11272 OH2 TIP3 2963 55.877 31.923 50.378 1.00 0.00 WT1 O ATOM 11273 H1 TIP3 2963 56.382 31.910 49.565 1.00 0.00 WT1 H ATOM 11274 H2 TIP3 2963 55.044 31.512 50.149 1.00 0.00 WT1 H ATOM 11275 OH2 TIP3 2964 23.156 54.965 -16.805 1.00 0.00 WT1 O ATOM 11276 H1 TIP3 2964 22.373 54.490 -17.083 1.00 0.00 WT1 H ATOM 11277 H2 TIP3 2964 22.901 55.887 -16.836 1.00 0.00 WT1 H ATOM 11278 OH2 TIP3 2965 83.865 32.926 67.269 1.00 0.00 WT1 O ATOM 11279 H1 TIP3 2965 84.767 33.063 67.558 1.00 0.00 WT1 H ATOM 11280 H2 TIP3 2965 83.919 32.909 66.314 1.00 0.00 WT1 H ATOM 11281 OH2 TIP3 2966 77.517 72.442 -8.109 1.00 0.00 WT1 O ATOM 11282 H1 TIP3 2966 77.554 73.174 -8.725 1.00 0.00 WT1 H ATOM 11283 H2 TIP3 2966 76.745 72.621 -7.571 1.00 0.00 WT1 H ATOM 11284 OH2 TIP3 2967 74.481 37.013 52.897 1.00 0.00 WT1 O ATOM 11285 H1 TIP3 2967 74.591 36.360 53.588 1.00 0.00 WT1 H ATOM 11286 H2 TIP3 2967 75.372 37.214 52.612 1.00 0.00 WT1 H ATOM 11287 OH2 TIP3 2968 78.571 65.825 10.184 1.00 0.00 WT1 O ATOM 11288 H1 TIP3 2968 77.846 66.016 10.779 1.00 0.00 WT1 H ATOM 11289 H2 TIP3 2968 78.934 64.999 10.504 1.00 0.00 WT1 H ATOM 11290 OH2 TIP3 2969 30.313 61.691 30.638 1.00 0.00 WT1 O ATOM 11291 H1 TIP3 2969 30.034 62.601 30.530 1.00 0.00 WT1 H ATOM 11292 H2 TIP3 2969 31.264 61.718 30.530 1.00 0.00 WT1 H ATOM 11293 OH2 TIP3 2971 25.315 24.319 49.694 1.00 0.00 WT1 O ATOM 11294 H1 TIP3 2971 24.428 24.190 50.028 1.00 0.00 WT1 H ATOM 11295 H2 TIP3 2971 25.846 23.679 50.168 1.00 0.00 WT1 H ATOM 11296 OH2 TIP3 2972 23.627 47.418 -17.088 1.00 0.00 WT1 O ATOM 11297 H1 TIP3 2972 24.433 46.902 -17.070 1.00 0.00 WT1 H ATOM 11298 H2 TIP3 2972 23.903 48.283 -17.391 1.00 0.00 WT1 H ATOM 11299 OH2 TIP3 2978 87.575 64.180 9.727 1.00 0.00 WT1 O ATOM 11300 H1 TIP3 2978 87.865 63.923 8.852 1.00 0.00 WT1 H ATOM 11301 H2 TIP3 2978 86.759 64.657 9.580 1.00 0.00 WT1 H ATOM 11302 OH2 TIP3 2979 27.728 13.763 58.614 1.00 0.00 WT1 O ATOM 11303 H1 TIP3 2979 28.503 14.275 58.382 1.00 0.00 WT1 H ATOM 11304 H2 TIP3 2979 28.072 13.014 59.100 1.00 0.00 WT1 H ATOM 11305 OH2 TIP3 2981 81.159 9.564 58.589 1.00 0.00 WT1 O ATOM 11306 H1 TIP3 2981 80.939 9.704 57.668 1.00 0.00 WT1 H ATOM 11307 H2 TIP3 2981 82.114 9.491 58.599 1.00 0.00 WT1 H ATOM 11308 OH2 TIP3 2982 40.538 21.957 5.619 1.00 0.00 WT1 O ATOM 11309 H1 TIP3 2982 40.978 22.555 6.224 1.00 0.00 WT1 H ATOM 11310 H2 TIP3 2982 39.826 22.476 5.244 1.00 0.00 WT1 H ATOM 11311 OH2 TIP3 2983 46.451 17.850 65.848 1.00 0.00 WT1 O ATOM 11312 H1 TIP3 2983 47.140 17.463 65.308 1.00 0.00 WT1 H ATOM 11313 H2 TIP3 2983 46.422 17.300 66.631 1.00 0.00 WT1 H ATOM 11314 OH2 TIP3 2984 65.681 69.224 -12.057 1.00 0.00 WT1 O ATOM 11315 H1 TIP3 2984 66.069 69.150 -12.929 1.00 0.00 WT1 H ATOM 11316 H2 TIP3 2984 66.413 69.086 -11.456 1.00 0.00 WT1 H ATOM 11317 OH2 TIP3 2985 42.101 34.606 35.344 1.00 0.00 WT1 O ATOM 11318 H1 TIP3 2985 42.712 34.984 35.976 1.00 0.00 WT1 H ATOM 11319 H2 TIP3 2985 42.150 35.187 34.585 1.00 0.00 WT1 H ATOM 11320 OH2 TIP3 2986 90.637 24.202 6.495 1.00 0.00 WT1 O ATOM 11321 H1 TIP3 2986 89.963 24.279 7.170 1.00 0.00 WT1 H ATOM 11322 H2 TIP3 2986 91.363 24.735 6.820 1.00 0.00 WT1 H ATOM 11323 OH2 TIP3 2987 34.726 47.456 -9.980 1.00 0.00 WT1 O ATOM 11324 H1 TIP3 2987 35.307 47.026 -10.608 1.00 0.00 WT1 H ATOM 11325 H2 TIP3 2987 34.483 46.763 -9.365 1.00 0.00 WT1 H ATOM 11326 OH2 TIP3 2988 83.498 52.413 9.228 1.00 0.00 WT1 O ATOM 11327 H1 TIP3 2988 83.060 53.156 9.643 1.00 0.00 WT1 H ATOM 11328 H2 TIP3 2988 84.367 52.393 9.629 1.00 0.00 WT1 H ATOM 11329 OH2 TIP3 2989 77.620 67.088 -5.127 1.00 0.00 WT1 O ATOM 11330 H1 TIP3 2989 77.073 67.705 -4.641 1.00 0.00 WT1 H ATOM 11331 H2 TIP3 2989 77.998 67.608 -5.836 1.00 0.00 WT1 H ATOM 11332 OH2 TIP3 2990 53.276 69.090 13.079 1.00 0.00 WT1 O ATOM 11333 H1 TIP3 2990 53.252 69.060 14.035 1.00 0.00 WT1 H ATOM 11334 H2 TIP3 2990 54.130 69.470 12.872 1.00 0.00 WT1 H ATOM 11335 OH2 TIP3 2991 90.024 12.033 -5.009 1.00 0.00 WT1 O ATOM 11336 H1 TIP3 2991 89.577 12.646 -4.426 1.00 0.00 WT1 H ATOM 11337 H2 TIP3 2991 90.823 11.795 -4.539 1.00 0.00 WT1 H ATOM 11338 OH2 TIP3 2992 24.932 63.217 39.351 1.00 0.00 WT1 O ATOM 11339 H1 TIP3 2992 24.651 63.802 38.648 1.00 0.00 WT1 H ATOM 11340 H2 TIP3 2992 25.623 63.700 39.804 1.00 0.00 WT1 H ATOM 11341 OH2 TIP3 2993 38.986 29.025 -6.369 1.00 0.00 WT1 O ATOM 11342 H1 TIP3 2993 39.618 29.517 -6.893 1.00 0.00 WT1 H ATOM 11343 H2 TIP3 2993 38.996 29.455 -5.514 1.00 0.00 WT1 H ATOM 11344 OH2 TIP3 2998 55.396 67.220 43.257 1.00 0.00 WT1 O ATOM 11345 H1 TIP3 2998 55.449 66.856 42.373 1.00 0.00 WT1 H ATOM 11346 H2 TIP3 2998 55.148 66.477 43.807 1.00 0.00 WT1 H ATOM 11347 OH2 TIP3 3000 78.931 58.993 34.407 1.00 0.00 WT1 O ATOM 11348 H1 TIP3 3000 79.882 59.096 34.366 1.00 0.00 WT1 H ATOM 11349 H2 TIP3 3000 78.625 59.768 34.877 1.00 0.00 WT1 H ATOM 11350 OH2 TIP3 3001 34.298 33.707 37.770 1.00 0.00 WT1 O ATOM 11351 H1 TIP3 3001 35.032 33.615 37.163 1.00 0.00 WT1 H ATOM 11352 H2 TIP3 3001 33.904 34.550 37.545 1.00 0.00 WT1 H ATOM 11353 OH2 TIP3 3002 79.352 73.924 -16.121 1.00 0.00 WT1 O ATOM 11354 H1 TIP3 3002 79.628 73.073 -15.780 1.00 0.00 WT1 H ATOM 11355 H2 TIP3 3002 79.658 73.930 -17.028 1.00 0.00 WT1 H ATOM 11356 OH2 TIP3 3003 27.338 26.625 65.803 1.00 0.00 WT1 O ATOM 11357 H1 TIP3 3003 27.519 25.965 66.473 1.00 0.00 WT1 H ATOM 11358 H2 TIP3 3003 26.443 26.911 65.983 1.00 0.00 WT1 H ATOM 11359 OH2 TIP3 3004 46.768 37.811 22.605 1.00 0.00 WT1 O ATOM 11360 H1 TIP3 3004 46.719 38.560 22.011 1.00 0.00 WT1 H ATOM 11361 H2 TIP3 3004 47.643 37.450 22.465 1.00 0.00 WT1 H ATOM 11362 OH2 TIP3 3005 68.954 20.363 -19.946 1.00 0.00 WT1 O ATOM 11363 H1 TIP3 3005 69.029 19.548 -19.450 1.00 0.00 WT1 H ATOM 11364 H2 TIP3 3005 69.792 20.445 -20.401 1.00 0.00 WT1 H ATOM 11365 OH2 TIP3 3006 32.923 52.167 58.392 1.00 0.00 WT1 O ATOM 11366 H1 TIP3 3006 32.749 52.694 59.172 1.00 0.00 WT1 H ATOM 11367 H2 TIP3 3006 32.644 51.283 58.633 1.00 0.00 WT1 H ATOM 11368 OH2 TIP3 3007 86.792 54.372 7.081 1.00 0.00 WT1 O ATOM 11369 H1 TIP3 3007 86.607 54.768 7.933 1.00 0.00 WT1 H ATOM 11370 H2 TIP3 3007 87.532 53.787 7.244 1.00 0.00 WT1 H ATOM 11371 OH2 TIP3 3008 60.251 60.186 23.687 1.00 0.00 WT1 O ATOM 11372 H1 TIP3 3008 60.072 61.035 23.283 1.00 0.00 WT1 H ATOM 11373 H2 TIP3 3008 59.432 59.699 23.597 1.00 0.00 WT1 H ATOM 11374 OH2 TIP3 3009 79.159 95.492 46.665 1.00 0.00 WT1 O ATOM 11375 H1 TIP3 3009 78.210 95.370 46.683 1.00 0.00 WT1 H ATOM 11376 H2 TIP3 3009 79.296 96.363 47.038 1.00 0.00 WT1 H ATOM 11377 OH2 TIP3 3010 73.835 16.773 63.861 1.00 0.00 WT1 O ATOM 11378 H1 TIP3 3010 73.246 16.807 64.615 1.00 0.00 WT1 H ATOM 11379 H2 TIP3 3010 74.140 15.866 63.836 1.00 0.00 WT1 H ATOM 11380 OH2 TIP3 3011 86.119 80.530 56.042 1.00 0.00 WT1 O ATOM 11381 H1 TIP3 3011 85.401 80.917 55.541 1.00 0.00 WT1 H ATOM 11382 H2 TIP3 3011 86.171 81.060 56.837 1.00 0.00 WT1 H ATOM 11383 OH2 TIP3 3012 31.741 10.080 11.520 1.00 0.00 WT1 O ATOM 11384 H1 TIP3 3012 31.378 9.938 12.394 1.00 0.00 WT1 H ATOM 11385 H2 TIP3 3012 31.698 11.027 11.392 1.00 0.00 WT1 H ATOM 11386 OH2 TIP3 3013 63.958 32.373 -7.278 1.00 0.00 WT1 O ATOM 11387 H1 TIP3 3013 63.474 32.871 -6.619 1.00 0.00 WT1 H ATOM 11388 H2 TIP3 3013 63.821 31.457 -7.035 1.00 0.00 WT1 H ATOM 11389 OH2 TIP3 3014 52.884 28.435 11.309 1.00 0.00 WT1 O ATOM 11390 H1 TIP3 3014 52.859 27.581 10.877 1.00 0.00 WT1 H ATOM 11391 H2 TIP3 3014 52.291 28.982 10.794 1.00 0.00 WT1 H ATOM 11392 OH2 TIP3 3015 46.044 40.539 23.979 1.00 0.00 WT1 O ATOM 11393 H1 TIP3 3015 46.573 41.332 23.892 1.00 0.00 WT1 H ATOM 11394 H2 TIP3 3015 46.513 40.007 24.623 1.00 0.00 WT1 H ATOM 11395 OH2 TIP3 3016 82.435 26.413 5.578 1.00 0.00 WT1 O ATOM 11396 H1 TIP3 3016 82.808 26.719 4.752 1.00 0.00 WT1 H ATOM 11397 H2 TIP3 3016 82.295 27.211 6.089 1.00 0.00 WT1 H ATOM 11398 OH2 TIP3 3018 77.556 68.191 56.743 1.00 0.00 WT1 O ATOM 11399 H1 TIP3 3018 77.921 67.376 56.398 1.00 0.00 WT1 H ATOM 11400 H2 TIP3 3018 76.638 68.176 56.473 1.00 0.00 WT1 H ATOM 11401 OH2 TIP3 3019 78.884 34.055 -3.228 1.00 0.00 WT1 O ATOM 11402 H1 TIP3 3019 79.537 34.748 -3.130 1.00 0.00 WT1 H ATOM 11403 H2 TIP3 3019 78.737 33.737 -2.337 1.00 0.00 WT1 H ATOM 11404 OH2 TIP3 3021 77.127 36.241 10.329 1.00 0.00 WT1 O ATOM 11405 H1 TIP3 3021 77.019 36.991 10.914 1.00 0.00 WT1 H ATOM 11406 H2 TIP3 3021 76.673 36.496 9.526 1.00 0.00 WT1 H ATOM 11407 OH2 TIP3 3023 49.341 24.566 -10.501 1.00 0.00 WT1 O ATOM 11408 H1 TIP3 3023 48.774 24.297 -11.224 1.00 0.00 WT1 H ATOM 11409 H2 TIP3 3023 50.164 24.102 -10.656 1.00 0.00 WT1 H ATOM 11410 OH2 TIP3 3024 49.100 51.688 55.462 1.00 0.00 WT1 O ATOM 11411 H1 TIP3 3024 48.837 52.518 55.063 1.00 0.00 WT1 H ATOM 11412 H2 TIP3 3024 48.981 51.040 54.767 1.00 0.00 WT1 H ATOM 11413 OH2 TIP3 3025 79.493 89.866 42.733 1.00 0.00 WT1 O ATOM 11414 H1 TIP3 3025 78.775 90.467 42.932 1.00 0.00 WT1 H ATOM 11415 H2 TIP3 3025 80.243 90.222 43.208 1.00 0.00 WT1 H ATOM 11416 OH2 TIP3 3027 21.975 25.138 -17.864 1.00 0.00 WT1 O ATOM 11417 H1 TIP3 3027 22.478 24.600 -18.475 1.00 0.00 WT1 H ATOM 11418 H2 TIP3 3027 21.090 25.151 -18.228 1.00 0.00 WT1 H ATOM 11419 OH2 TIP3 3028 40.491 44.120 -6.904 1.00 0.00 WT1 O ATOM 11420 H1 TIP3 3028 40.668 45.006 -7.220 1.00 0.00 WT1 H ATOM 11421 H2 TIP3 3028 40.742 43.551 -7.631 1.00 0.00 WT1 H ATOM 11422 OH2 TIP3 3029 22.429 31.166 13.085 1.00 0.00 WT1 O ATOM 11423 H1 TIP3 3029 21.653 31.478 13.551 1.00 0.00 WT1 H ATOM 11424 H2 TIP3 3029 23.140 31.723 13.402 1.00 0.00 WT1 H ATOM 11425 OH2 TIP3 3030 26.195 27.524 0.157 1.00 0.00 WT1 O ATOM 11426 H1 TIP3 3030 26.514 27.573 -0.744 1.00 0.00 WT1 H ATOM 11427 H2 TIP3 3030 25.513 28.193 0.206 1.00 0.00 WT1 H ATOM 11428 OH2 TIP3 3032 55.520 58.870 23.112 1.00 0.00 WT1 O ATOM 11429 H1 TIP3 3032 54.878 59.246 22.509 1.00 0.00 WT1 H ATOM 11430 H2 TIP3 3032 55.902 58.138 22.628 1.00 0.00 WT1 H ATOM 11431 OH2 TIP3 3033 27.648 52.811 8.421 1.00 0.00 WT1 O ATOM 11432 H1 TIP3 3033 27.391 53.583 8.926 1.00 0.00 WT1 H ATOM 11433 H2 TIP3 3033 28.497 52.558 8.786 1.00 0.00 WT1 H ATOM 11434 OH2 TIP3 3035 82.650 19.647 -6.755 1.00 0.00 WT1 O ATOM 11435 H1 TIP3 3035 81.729 19.424 -6.619 1.00 0.00 WT1 H ATOM 11436 H2 TIP3 3035 83.054 18.831 -7.051 1.00 0.00 WT1 H ATOM 11437 OH2 TIP3 3037 22.733 22.111 6.691 1.00 0.00 WT1 O ATOM 11438 H1 TIP3 3037 22.409 22.592 7.452 1.00 0.00 WT1 H ATOM 11439 H2 TIP3 3037 23.672 22.014 6.850 1.00 0.00 WT1 H ATOM 11440 OH2 TIP3 3038 79.318 96.137 9.356 1.00 0.00 WT1 O ATOM 11441 H1 TIP3 3038 79.545 95.380 9.897 1.00 0.00 WT1 H ATOM 11442 H2 TIP3 3038 78.438 95.947 9.034 1.00 0.00 WT1 H ATOM 11443 OH2 TIP3 3039 75.899 52.234 63.898 1.00 0.00 WT1 O ATOM 11444 H1 TIP3 3039 75.151 52.597 63.424 1.00 0.00 WT1 H ATOM 11445 H2 TIP3 3039 75.719 52.431 64.818 1.00 0.00 WT1 H ATOM 11446 OH2 TIP3 3040 44.036 53.939 20.960 1.00 0.00 WT1 O ATOM 11447 H1 TIP3 3040 43.661 53.952 20.079 1.00 0.00 WT1 H ATOM 11448 H2 TIP3 3040 43.637 54.689 21.401 1.00 0.00 WT1 H ATOM 11449 OH2 TIP3 3041 39.346 41.566 39.520 1.00 0.00 WT1 O ATOM 11450 H1 TIP3 3041 39.452 40.743 39.997 1.00 0.00 WT1 H ATOM 11451 H2 TIP3 3041 40.186 41.698 39.080 1.00 0.00 WT1 H ATOM 11452 OH2 TIP3 3042 86.705 21.082 48.629 1.00 0.00 WT1 O ATOM 11453 H1 TIP3 3042 85.889 21.522 48.867 1.00 0.00 WT1 H ATOM 11454 H2 TIP3 3042 86.592 20.183 48.938 1.00 0.00 WT1 H ATOM 11455 OH2 TIP3 3043 64.651 31.062 42.715 1.00 0.00 WT1 O ATOM 11456 H1 TIP3 3043 64.004 30.371 42.571 1.00 0.00 WT1 H ATOM 11457 H2 TIP3 3043 64.164 31.759 43.155 1.00 0.00 WT1 H ATOM 11458 OH2 TIP3 3044 48.061 78.833 8.559 1.00 0.00 WT1 O ATOM 11459 H1 TIP3 3044 48.188 78.318 7.762 1.00 0.00 WT1 H ATOM 11460 H2 TIP3 3044 48.204 78.211 9.273 1.00 0.00 WT1 H ATOM 11461 OH2 TIP3 3045 31.473 54.829 57.981 1.00 0.00 WT1 O ATOM 11462 H1 TIP3 3045 31.597 53.888 57.858 1.00 0.00 WT1 H ATOM 11463 H2 TIP3 3045 30.692 54.899 58.529 1.00 0.00 WT1 H ATOM 11464 OH2 TIP3 3046 44.494 17.842 0.846 1.00 0.00 WT1 O ATOM 11465 H1 TIP3 3046 44.887 17.260 1.497 1.00 0.00 WT1 H ATOM 11466 H2 TIP3 3046 44.484 18.701 1.267 1.00 0.00 WT1 H ATOM 11467 OH2 TIP3 3047 37.717 80.457 -8.728 1.00 0.00 WT1 O ATOM 11468 H1 TIP3 3047 38.656 80.619 -8.810 1.00 0.00 WT1 H ATOM 11469 H2 TIP3 3047 37.590 80.235 -7.806 1.00 0.00 WT1 H ATOM 11470 OH2 TIP3 3048 38.377 4.493 65.153 1.00 0.00 WT1 O ATOM 11471 H1 TIP3 3048 39.249 4.108 65.068 1.00 0.00 WT1 H ATOM 11472 H2 TIP3 3048 38.514 5.288 65.669 1.00 0.00 WT1 H ATOM 11473 OH2 TIP3 3049 28.963 12.815 49.823 1.00 0.00 WT1 O ATOM 11474 H1 TIP3 3049 29.505 12.166 50.270 1.00 0.00 WT1 H ATOM 11475 H2 TIP3 3049 28.197 12.919 50.388 1.00 0.00 WT1 H ATOM 11476 OH2 TIP3 3050 56.057 60.197 -16.890 1.00 0.00 WT1 O ATOM 11477 H1 TIP3 3050 56.160 60.738 -16.107 1.00 0.00 WT1 H ATOM 11478 H2 TIP3 3050 56.342 60.760 -17.610 1.00 0.00 WT1 H ATOM 11479 OH2 TIP3 3051 20.727 67.177 63.471 1.00 0.00 WT1 O ATOM 11480 H1 TIP3 3051 21.375 66.472 63.441 1.00 0.00 WT1 H ATOM 11481 H2 TIP3 3051 20.005 66.816 63.986 1.00 0.00 WT1 H ATOM 11482 OH2 TIP3 3052 32.858 40.338 5.058 1.00 0.00 WT1 O ATOM 11483 H1 TIP3 3052 32.325 40.088 5.812 1.00 0.00 WT1 H ATOM 11484 H2 TIP3 3052 33.162 41.223 5.262 1.00 0.00 WT1 H ATOM 11485 OH2 TIP3 3053 83.310 45.623 -8.245 1.00 0.00 WT1 O ATOM 11486 H1 TIP3 3053 83.844 45.805 -9.018 1.00 0.00 WT1 H ATOM 11487 H2 TIP3 3053 83.225 46.470 -7.807 1.00 0.00 WT1 H ATOM 11488 OH2 TIP3 3054 26.170 68.086 12.207 1.00 0.00 WT1 O ATOM 11489 H1 TIP3 3054 26.789 68.153 11.479 1.00 0.00 WT1 H ATOM 11490 H2 TIP3 3054 25.474 68.705 11.988 1.00 0.00 WT1 H ATOM 11491 OH2 TIP3 3056 44.606 52.270 23.277 1.00 0.00 WT1 O ATOM 11492 H1 TIP3 3056 44.841 51.495 23.788 1.00 0.00 WT1 H ATOM 11493 H2 TIP3 3056 44.074 52.798 23.872 1.00 0.00 WT1 H ATOM 11494 OH2 TIP3 3057 72.630 12.603 65.690 1.00 0.00 WT1 O ATOM 11495 H1 TIP3 3057 73.490 13.024 65.685 1.00 0.00 WT1 H ATOM 11496 H2 TIP3 3057 72.432 12.476 66.618 1.00 0.00 WT1 H ATOM 11497 OH2 TIP3 3059 69.754 88.477 46.476 1.00 0.00 WT1 O ATOM 11498 H1 TIP3 3059 69.096 88.806 47.088 1.00 0.00 WT1 H ATOM 11499 H2 TIP3 3059 69.995 87.617 46.821 1.00 0.00 WT1 H ATOM 11500 OH2 TIP3 3062 81.121 87.313 33.800 1.00 0.00 WT1 O ATOM 11501 H1 TIP3 3062 80.908 88.243 33.724 1.00 0.00 WT1 H ATOM 11502 H2 TIP3 3062 80.874 87.082 34.696 1.00 0.00 WT1 H ATOM 11503 OH2 TIP3 3063 85.604 36.516 -3.451 1.00 0.00 WT1 O ATOM 11504 H1 TIP3 3063 86.122 37.092 -2.889 1.00 0.00 WT1 H ATOM 11505 H2 TIP3 3063 86.216 36.226 -4.127 1.00 0.00 WT1 H ATOM 11506 OH2 TIP3 3065 48.274 15.319 1.449 1.00 0.00 WT1 O ATOM 11507 H1 TIP3 3065 47.535 15.927 1.470 1.00 0.00 WT1 H ATOM 11508 H2 TIP3 3065 48.965 15.796 0.990 1.00 0.00 WT1 H ATOM 11509 OH2 TIP3 3066 22.464 49.768 27.158 1.00 0.00 WT1 O ATOM 11510 H1 TIP3 3066 21.912 49.689 26.380 1.00 0.00 WT1 H ATOM 11511 H2 TIP3 3066 22.756 50.680 27.154 1.00 0.00 WT1 H ATOM 11512 OH2 TIP3 3067 50.193 38.761 9.744 1.00 0.00 WT1 O ATOM 11513 H1 TIP3 3067 50.433 38.344 10.571 1.00 0.00 WT1 H ATOM 11514 H2 TIP3 3067 49.432 39.301 9.958 1.00 0.00 WT1 H ATOM 11515 OH2 TIP3 3069 34.998 46.560 45.720 1.00 0.00 WT1 O ATOM 11516 H1 TIP3 3069 34.386 47.262 45.498 1.00 0.00 WT1 H ATOM 11517 H2 TIP3 3069 35.761 47.013 46.082 1.00 0.00 WT1 H ATOM 11518 OH2 TIP3 3070 63.282 20.956 35.687 1.00 0.00 WT1 O ATOM 11519 H1 TIP3 3070 64.223 21.118 35.746 1.00 0.00 WT1 H ATOM 11520 H2 TIP3 3070 62.935 21.244 36.531 1.00 0.00 WT1 H ATOM 11521 OH2 TIP3 3071 20.359 12.532 62.773 1.00 0.00 WT1 O ATOM 11522 H1 TIP3 3071 20.765 12.955 63.530 1.00 0.00 WT1 H ATOM 11523 H2 TIP3 3071 20.589 11.607 62.863 1.00 0.00 WT1 H ATOM 11524 OH2 TIP3 3072 41.531 70.587 13.963 1.00 0.00 WT1 O ATOM 11525 H1 TIP3 3072 42.379 70.186 13.774 1.00 0.00 WT1 H ATOM 11526 H2 TIP3 3072 41.357 70.361 14.877 1.00 0.00 WT1 H ATOM 11527 OH2 TIP3 3073 69.614 82.131 -16.785 1.00 0.00 WT1 O ATOM 11528 H1 TIP3 3073 70.075 82.245 -17.616 1.00 0.00 WT1 H ATOM 11529 H2 TIP3 3073 69.122 82.944 -16.670 1.00 0.00 WT1 H ATOM 11530 OH2 TIP3 3074 67.604 65.033 16.483 1.00 0.00 WT1 O ATOM 11531 H1 TIP3 3074 67.941 64.953 17.375 1.00 0.00 WT1 H ATOM 11532 H2 TIP3 3074 66.747 64.609 16.511 1.00 0.00 WT1 H ATOM 11533 OH2 TIP3 3075 68.654 9.443 -5.195 1.00 0.00 WT1 O ATOM 11534 H1 TIP3 3075 69.373 9.317 -4.576 1.00 0.00 WT1 H ATOM 11535 H2 TIP3 3075 68.705 10.367 -5.438 1.00 0.00 WT1 H ATOM 11536 OH2 TIP3 3077 70.726 66.640 18.271 1.00 0.00 WT1 O ATOM 11537 H1 TIP3 3077 69.800 66.794 18.083 1.00 0.00 WT1 H ATOM 11538 H2 TIP3 3077 70.893 65.756 17.947 1.00 0.00 WT1 H ATOM 11539 OH2 TIP3 3079 59.114 75.776 25.889 1.00 0.00 WT1 O ATOM 11540 H1 TIP3 3079 59.422 75.246 25.154 1.00 0.00 WT1 H ATOM 11541 H2 TIP3 3079 58.600 75.170 26.423 1.00 0.00 WT1 H ATOM 11542 OH2 TIP3 3080 29.591 18.725 46.514 1.00 0.00 WT1 O ATOM 11543 H1 TIP3 3080 29.162 18.103 45.927 1.00 0.00 WT1 H ATOM 11544 H2 TIP3 3080 29.751 19.496 45.971 1.00 0.00 WT1 H ATOM 11545 OH2 TIP3 3081 54.269 89.397 22.216 1.00 0.00 WT1 O ATOM 11546 H1 TIP3 3081 53.454 89.878 22.073 1.00 0.00 WT1 H ATOM 11547 H2 TIP3 3081 54.196 88.628 21.651 1.00 0.00 WT1 H ATOM 11548 OH2 TIP3 3082 55.114 20.420 18.830 1.00 0.00 WT1 O ATOM 11549 H1 TIP3 3082 54.552 20.369 18.057 1.00 0.00 WT1 H ATOM 11550 H2 TIP3 3082 54.505 20.470 19.567 1.00 0.00 WT1 H ATOM 11551 OH2 TIP3 3083 47.696 52.260 38.922 1.00 0.00 WT1 O ATOM 11552 H1 TIP3 3083 47.845 51.523 38.330 1.00 0.00 WT1 H ATOM 11553 H2 TIP3 3083 48.482 52.801 38.834 1.00 0.00 WT1 H ATOM 11554 OH2 TIP3 3084 47.389 19.617 59.617 1.00 0.00 WT1 O ATOM 11555 H1 TIP3 3084 47.154 20.537 59.492 1.00 0.00 WT1 H ATOM 11556 H2 TIP3 3084 46.941 19.157 58.908 1.00 0.00 WT1 H ATOM 11557 OH2 TIP3 3085 75.260 14.441 65.894 1.00 0.00 WT1 O ATOM 11558 H1 TIP3 3085 75.415 13.940 65.093 1.00 0.00 WT1 H ATOM 11559 H2 TIP3 3085 76.093 14.404 66.364 1.00 0.00 WT1 H ATOM 11560 OH2 TIP3 3086 58.222 62.775 -7.642 1.00 0.00 WT1 O ATOM 11561 H1 TIP3 3086 57.564 62.206 -8.042 1.00 0.00 WT1 H ATOM 11562 H2 TIP3 3086 58.834 62.173 -7.219 1.00 0.00 WT1 H ATOM 11563 OH2 TIP3 3087 52.316 9.660 4.138 1.00 0.00 WT1 O ATOM 11564 H1 TIP3 3087 51.627 9.730 3.478 1.00 0.00 WT1 H ATOM 11565 H2 TIP3 3087 52.206 10.439 4.683 1.00 0.00 WT1 H ATOM 11566 OH2 TIP3 3088 78.661 80.218 -20.187 1.00 0.00 WT1 O ATOM 11567 H1 TIP3 3088 77.884 80.039 -19.657 1.00 0.00 WT1 H ATOM 11568 H2 TIP3 3088 79.199 80.789 -19.639 1.00 0.00 WT1 H ATOM 11569 OH2 TIP3 3089 90.840 30.489 -0.061 1.00 0.00 WT1 O ATOM 11570 H1 TIP3 3089 90.941 29.548 0.080 1.00 0.00 WT1 H ATOM 11571 H2 TIP3 3089 90.204 30.764 0.600 1.00 0.00 WT1 H ATOM 11572 OH2 TIP3 3090 58.022 47.151 55.872 1.00 0.00 WT1 O ATOM 11573 H1 TIP3 3090 57.158 47.367 55.522 1.00 0.00 WT1 H ATOM 11574 H2 TIP3 3090 58.012 46.198 55.965 1.00 0.00 WT1 H ATOM 11575 OH2 TIP3 3091 41.725 93.510 -10.581 1.00 0.00 WT1 O ATOM 11576 H1 TIP3 3091 42.030 94.396 -10.387 1.00 0.00 WT1 H ATOM 11577 H2 TIP3 3091 42.255 93.232 -11.328 1.00 0.00 WT1 H ATOM 11578 OH2 TIP3 3092 30.648 45.550 51.462 1.00 0.00 WT1 O ATOM 11579 H1 TIP3 3092 31.439 45.209 51.044 1.00 0.00 WT1 H ATOM 11580 H2 TIP3 3092 30.101 44.778 51.607 1.00 0.00 WT1 H ATOM 11581 OH2 TIP3 3093 41.583 22.892 28.165 1.00 0.00 WT1 O ATOM 11582 H1 TIP3 3093 41.468 22.255 27.460 1.00 0.00 WT1 H ATOM 11583 H2 TIP3 3093 41.247 23.712 27.805 1.00 0.00 WT1 H ATOM 11584 OH2 TIP3 3094 23.699 25.337 24.698 1.00 0.00 WT1 O ATOM 11585 H1 TIP3 3094 22.888 25.738 24.384 1.00 0.00 WT1 H ATOM 11586 H2 TIP3 3094 23.932 24.704 24.019 1.00 0.00 WT1 H ATOM 11587 OH2 TIP3 3095 41.177 41.156 -14.342 1.00 0.00 WT1 O ATOM 11588 H1 TIP3 3095 42.004 41.435 -14.736 1.00 0.00 WT1 H ATOM 11589 H2 TIP3 3095 40.960 41.854 -13.723 1.00 0.00 WT1 H ATOM 11590 OH2 TIP3 3096 34.585 17.154 10.195 1.00 0.00 WT1 O ATOM 11591 H1 TIP3 3096 34.653 16.490 9.509 1.00 0.00 WT1 H ATOM 11592 H2 TIP3 3096 35.138 16.826 10.904 1.00 0.00 WT1 H ATOM 11593 OH2 TIP3 3097 21.132 77.270 53.207 1.00 0.00 WT1 O ATOM 11594 H1 TIP3 3097 21.726 77.993 53.005 1.00 0.00 WT1 H ATOM 11595 H2 TIP3 3097 21.577 76.493 52.870 1.00 0.00 WT1 H ATOM 11596 OH2 TIP3 3098 83.850 31.668 14.928 1.00 0.00 WT1 O ATOM 11597 H1 TIP3 3098 84.364 31.275 15.633 1.00 0.00 WT1 H ATOM 11598 H2 TIP3 3098 82.950 31.663 15.255 1.00 0.00 WT1 H ATOM 11599 OH2 TIP3 3100 46.113 65.051 -7.006 1.00 0.00 WT1 O ATOM 11600 H1 TIP3 3100 45.591 65.852 -6.951 1.00 0.00 WT1 H ATOM 11601 H2 TIP3 3100 46.103 64.697 -6.116 1.00 0.00 WT1 H ATOM 11602 OH2 TIP3 3102 23.048 6.957 52.516 1.00 0.00 WT1 O ATOM 11603 H1 TIP3 3102 23.329 6.873 51.605 1.00 0.00 WT1 H ATOM 11604 H2 TIP3 3102 23.063 6.062 52.855 1.00 0.00 WT1 H ATOM 11605 OH2 TIP3 3103 29.096 51.167 52.266 1.00 0.00 WT1 O ATOM 11606 H1 TIP3 3103 28.308 51.347 52.779 1.00 0.00 WT1 H ATOM 11607 H2 TIP3 3103 29.778 51.013 52.919 1.00 0.00 WT1 H ATOM 11608 OH2 TIP3 3104 29.034 32.002 58.843 1.00 0.00 WT1 O ATOM 11609 H1 TIP3 3104 28.150 31.900 58.492 1.00 0.00 WT1 H ATOM 11610 H2 TIP3 3104 28.981 31.651 59.733 1.00 0.00 WT1 H ATOM 11611 OH2 TIP3 3105 90.335 85.512 12.783 1.00 0.00 WT1 O ATOM 11612 H1 TIP3 3105 89.611 84.894 12.888 1.00 0.00 WT1 H ATOM 11613 H2 TIP3 3105 90.920 85.322 13.517 1.00 0.00 WT1 H ATOM 11614 OH2 TIP3 3106 48.646 78.803 -18.648 1.00 0.00 WT1 O ATOM 11615 H1 TIP3 3106 49.231 79.544 -18.493 1.00 0.00 WT1 H ATOM 11616 H2 TIP3 3106 49.074 78.298 -19.339 1.00 0.00 WT1 H ATOM 11617 OH2 TIP3 3107 84.704 10.829 48.479 1.00 0.00 WT1 O ATOM 11618 H1 TIP3 3107 84.695 10.945 49.429 1.00 0.00 WT1 H ATOM 11619 H2 TIP3 3107 84.767 11.718 48.129 1.00 0.00 WT1 H ATOM 11620 OH2 TIP3 3108 28.439 9.344 9.305 1.00 0.00 WT1 O ATOM 11621 H1 TIP3 3108 28.016 8.883 10.031 1.00 0.00 WT1 H ATOM 11622 H2 TIP3 3108 29.374 9.298 9.504 1.00 0.00 WT1 H ATOM 11623 OH2 TIP3 3109 88.549 12.126 5.091 1.00 0.00 WT1 O ATOM 11624 H1 TIP3 3109 87.880 12.030 5.768 1.00 0.00 WT1 H ATOM 11625 H2 TIP3 3109 89.363 11.853 5.516 1.00 0.00 WT1 H ATOM 11626 OH2 TIP3 3110 51.065 66.182 10.519 1.00 0.00 WT1 O ATOM 11627 H1 TIP3 3110 51.754 66.351 11.162 1.00 0.00 WT1 H ATOM 11628 H2 TIP3 3110 50.296 65.958 11.044 1.00 0.00 WT1 H ATOM 11629 OH2 TIP3 3111 52.187 35.594 11.402 1.00 0.00 WT1 O ATOM 11630 H1 TIP3 3111 51.831 35.902 12.235 1.00 0.00 WT1 H ATOM 11631 H2 TIP3 3111 51.542 34.962 11.085 1.00 0.00 WT1 H ATOM 11632 OH2 TIP3 3112 37.703 14.252 59.372 1.00 0.00 WT1 O ATOM 11633 H1 TIP3 3112 37.149 14.300 58.592 1.00 0.00 WT1 H ATOM 11634 H2 TIP3 3112 37.220 13.688 59.975 1.00 0.00 WT1 H ATOM 11635 OH2 TIP3 3113 87.741 16.240 3.398 1.00 0.00 WT1 O ATOM 11636 H1 TIP3 3113 88.234 16.997 3.716 1.00 0.00 WT1 H ATOM 11637 H2 TIP3 3113 88.354 15.508 3.469 1.00 0.00 WT1 H ATOM 11638 OH2 TIP3 3114 51.534 45.963 36.771 1.00 0.00 WT1 O ATOM 11639 H1 TIP3 3114 50.722 45.806 36.288 1.00 0.00 WT1 H ATOM 11640 H2 TIP3 3114 51.582 46.915 36.855 1.00 0.00 WT1 H ATOM 11641 OH2 TIP3 3115 63.419 36.395 -16.768 1.00 0.00 WT1 O ATOM 11642 H1 TIP3 3115 62.797 36.923 -17.270 1.00 0.00 WT1 H ATOM 11643 H2 TIP3 3115 62.916 35.629 -16.493 1.00 0.00 WT1 H ATOM 11644 OH2 TIP3 3116 50.549 41.336 1.139 1.00 0.00 WT1 O ATOM 11645 H1 TIP3 3116 49.893 41.752 1.698 1.00 0.00 WT1 H ATOM 11646 H2 TIP3 3116 51.202 40.994 1.749 1.00 0.00 WT1 H ATOM 11647 OH2 TIP3 3118 83.676 82.480 60.793 1.00 0.00 WT1 O ATOM 11648 H1 TIP3 3118 84.180 82.874 60.081 1.00 0.00 WT1 H ATOM 11649 H2 TIP3 3118 83.261 83.222 61.233 1.00 0.00 WT1 H ATOM 11650 OH2 TIP3 3119 79.235 31.373 63.414 1.00 0.00 WT1 O ATOM 11651 H1 TIP3 3119 80.147 31.185 63.195 1.00 0.00 WT1 H ATOM 11652 H2 TIP3 3119 78.820 31.561 62.572 1.00 0.00 WT1 H ATOM 11653 OH2 TIP3 3120 38.091 4.927 -10.413 1.00 0.00 WT1 O ATOM 11654 H1 TIP3 3120 37.739 5.441 -9.686 1.00 0.00 WT1 H ATOM 11655 H2 TIP3 3120 37.457 5.048 -11.120 1.00 0.00 WT1 H ATOM 11656 OH2 TIP3 3121 89.898 37.191 -10.858 1.00 0.00 WT1 O ATOM 11657 H1 TIP3 3121 89.116 37.474 -10.385 1.00 0.00 WT1 H ATOM 11658 H2 TIP3 3121 90.498 36.892 -10.174 1.00 0.00 WT1 H ATOM 11659 OH2 TIP3 3123 66.540 3.301 6.051 1.00 0.00 WT1 O ATOM 11660 H1 TIP3 3123 66.257 3.142 5.150 1.00 0.00 WT1 H ATOM 11661 H2 TIP3 3123 66.729 4.239 6.081 1.00 0.00 WT1 H ATOM 11662 OH2 TIP3 3124 27.753 14.318 44.482 1.00 0.00 WT1 O ATOM 11663 H1 TIP3 3124 28.636 14.512 44.798 1.00 0.00 WT1 H ATOM 11664 H2 TIP3 3124 27.888 13.950 43.608 1.00 0.00 WT1 H ATOM 11665 OH2 TIP3 3126 44.226 25.533 62.468 1.00 0.00 WT1 O ATOM 11666 H1 TIP3 3126 44.959 26.131 62.611 1.00 0.00 WT1 H ATOM 11667 H2 TIP3 3126 44.399 25.142 61.611 1.00 0.00 WT1 H ATOM 11668 OH2 TIP3 3128 86.695 90.257 5.254 1.00 0.00 WT1 O ATOM 11669 H1 TIP3 3128 86.924 90.118 6.173 1.00 0.00 WT1 H ATOM 11670 H2 TIP3 3128 87.530 90.203 4.788 1.00 0.00 WT1 H ATOM 11671 OH2 TIP3 3129 68.643 35.465 -8.710 1.00 0.00 WT1 O ATOM 11672 H1 TIP3 3129 68.893 35.907 -7.899 1.00 0.00 WT1 H ATOM 11673 H2 TIP3 3129 69.467 35.131 -9.065 1.00 0.00 WT1 H ATOM 11674 OH2 TIP3 3130 79.917 80.237 16.905 1.00 0.00 WT1 O ATOM 11675 H1 TIP3 3130 80.741 79.811 17.142 1.00 0.00 WT1 H ATOM 11676 H2 TIP3 3130 79.408 80.243 17.716 1.00 0.00 WT1 H ATOM 11677 OH2 TIP3 3131 70.254 8.794 18.978 1.00 0.00 WT1 O ATOM 11678 H1 TIP3 3131 70.999 9.309 18.670 1.00 0.00 WT1 H ATOM 11679 H2 TIP3 3131 69.818 8.500 18.178 1.00 0.00 WT1 H ATOM 11680 OH2 TIP3 3132 45.363 17.703 32.162 1.00 0.00 WT1 O ATOM 11681 H1 TIP3 3132 45.813 17.409 31.370 1.00 0.00 WT1 H ATOM 11682 H2 TIP3 3132 44.436 17.540 31.986 1.00 0.00 WT1 H ATOM 11683 OH2 TIP3 3134 44.511 61.450 14.770 1.00 0.00 WT1 O ATOM 11684 H1 TIP3 3134 44.898 61.966 14.062 1.00 0.00 WT1 H ATOM 11685 H2 TIP3 3134 44.012 62.085 15.284 1.00 0.00 WT1 H ATOM 11686 OH2 TIP3 3135 66.668 65.389 51.789 1.00 0.00 WT1 O ATOM 11687 H1 TIP3 3135 65.920 65.820 51.375 1.00 0.00 WT1 H ATOM 11688 H2 TIP3 3135 67.433 65.776 51.364 1.00 0.00 WT1 H ATOM 11689 OH2 TIP3 3136 43.590 71.743 0.403 1.00 0.00 WT1 O ATOM 11690 H1 TIP3 3136 43.777 71.067 1.055 1.00 0.00 WT1 H ATOM 11691 H2 TIP3 3136 44.198 72.452 0.613 1.00 0.00 WT1 H ATOM 11692 OH2 TIP3 3137 32.998 87.862 39.227 1.00 0.00 WT1 O ATOM 11693 H1 TIP3 3137 33.759 87.811 39.805 1.00 0.00 WT1 H ATOM 11694 H2 TIP3 3137 33.051 87.072 38.689 1.00 0.00 WT1 H ATOM 11695 OH2 TIP3 3138 22.281 45.027 31.775 1.00 0.00 WT1 O ATOM 11696 H1 TIP3 3138 21.564 44.827 32.377 1.00 0.00 WT1 H ATOM 11697 H2 TIP3 3138 21.849 45.384 30.998 1.00 0.00 WT1 H ATOM 11698 OH2 TIP3 3139 33.763 33.773 49.387 1.00 0.00 WT1 O ATOM 11699 H1 TIP3 3139 34.518 34.021 49.921 1.00 0.00 WT1 H ATOM 11700 H2 TIP3 3139 33.548 32.885 49.673 1.00 0.00 WT1 H ATOM 11701 OH2 TIP3 3140 74.952 48.056 -7.148 1.00 0.00 WT1 O ATOM 11702 H1 TIP3 3140 75.249 47.245 -6.736 1.00 0.00 WT1 H ATOM 11703 H2 TIP3 3140 74.439 48.495 -6.470 1.00 0.00 WT1 H ATOM 11704 OH2 TIP3 3142 42.519 5.823 -6.666 1.00 0.00 WT1 O ATOM 11705 H1 TIP3 3142 42.682 6.725 -6.391 1.00 0.00 WT1 H ATOM 11706 H2 TIP3 3142 43.371 5.393 -6.597 1.00 0.00 WT1 H ATOM 11707 OH2 TIP3 3143 48.057 63.499 7.323 1.00 0.00 WT1 O ATOM 11708 H1 TIP3 3143 48.685 63.741 8.003 1.00 0.00 WT1 H ATOM 11709 H2 TIP3 3143 48.197 62.562 7.189 1.00 0.00 WT1 H ATOM 11710 OH2 TIP3 3144 25.511 34.435 66.458 1.00 0.00 WT1 O ATOM 11711 H1 TIP3 3144 26.421 34.730 66.472 1.00 0.00 WT1 H ATOM 11712 H2 TIP3 3144 25.002 35.233 66.318 1.00 0.00 WT1 H ATOM 11713 OH2 TIP3 3145 62.887 34.191 40.181 1.00 0.00 WT1 O ATOM 11714 H1 TIP3 3145 62.497 33.982 39.332 1.00 0.00 WT1 H ATOM 11715 H2 TIP3 3145 63.452 34.944 40.007 1.00 0.00 WT1 H ATOM 11716 OH2 TIP3 3146 29.820 90.769 37.113 1.00 0.00 WT1 O ATOM 11717 H1 TIP3 3146 29.261 90.012 37.284 1.00 0.00 WT1 H ATOM 11718 H2 TIP3 3146 30.543 90.679 37.734 1.00 0.00 WT1 H ATOM 11719 OH2 TIP3 3147 86.446 33.490 9.323 1.00 0.00 WT1 O ATOM 11720 H1 TIP3 3147 85.854 32.770 9.538 1.00 0.00 WT1 H ATOM 11721 H2 TIP3 3147 86.187 33.760 8.442 1.00 0.00 WT1 H ATOM 11722 OH2 TIP3 3148 69.524 50.988 39.498 1.00 0.00 WT1 O ATOM 11723 H1 TIP3 3148 68.577 50.941 39.632 1.00 0.00 WT1 H ATOM 11724 H2 TIP3 3148 69.635 50.932 38.549 1.00 0.00 WT1 H ATOM 11725 OH2 TIP3 3149 59.195 25.813 -19.411 1.00 0.00 WT1 O ATOM 11726 H1 TIP3 3149 58.941 26.139 -20.275 1.00 0.00 WT1 H ATOM 11727 H2 TIP3 3149 59.818 26.462 -19.083 1.00 0.00 WT1 H ATOM 11728 OH2 TIP3 3150 81.638 1.941 49.274 1.00 0.00 WT1 O ATOM 11729 H1 TIP3 3150 81.823 1.469 50.086 1.00 0.00 WT1 H ATOM 11730 H2 TIP3 3150 81.831 2.856 49.479 1.00 0.00 WT1 H ATOM 11731 OH2 TIP3 3152 58.516 11.387 39.899 1.00 0.00 WT1 O ATOM 11732 H1 TIP3 3152 58.176 11.691 39.058 1.00 0.00 WT1 H ATOM 11733 H2 TIP3 3152 58.814 12.183 40.340 1.00 0.00 WT1 H ATOM 11734 OH2 TIP3 3153 47.176 50.254 3.345 1.00 0.00 WT1 O ATOM 11735 H1 TIP3 3153 47.923 49.808 3.744 1.00 0.00 WT1 H ATOM 11736 H2 TIP3 3153 46.961 50.957 3.958 1.00 0.00 WT1 H ATOM 11737 OH2 TIP3 3154 42.525 0.229 -19.680 1.00 0.00 WT1 O ATOM 11738 H1 TIP3 3154 42.065 -0.566 -19.411 1.00 0.00 WT1 H ATOM 11739 H2 TIP3 3154 42.435 0.247 -20.633 1.00 0.00 WT1 H ATOM 11740 OH2 TIP3 3155 65.694 34.470 9.610 1.00 0.00 WT1 O ATOM 11741 H1 TIP3 3155 64.772 34.296 9.423 1.00 0.00 WT1 H ATOM 11742 H2 TIP3 3155 65.810 35.398 9.403 1.00 0.00 WT1 H ATOM 11743 OH2 TIP3 3157 87.530 43.766 -14.765 1.00 0.00 WT1 O ATOM 11744 H1 TIP3 3157 86.759 43.203 -14.698 1.00 0.00 WT1 H ATOM 11745 H2 TIP3 3157 87.304 44.403 -15.443 1.00 0.00 WT1 H ATOM 11746 OH2 TIP3 3158 79.463 24.931 34.661 1.00 0.00 WT1 O ATOM 11747 H1 TIP3 3158 79.841 25.569 34.055 1.00 0.00 WT1 H ATOM 11748 H2 TIP3 3158 78.859 24.419 34.124 1.00 0.00 WT1 H ATOM 11749 OH2 TIP3 3159 74.658 1.473 36.642 1.00 0.00 WT1 O ATOM 11750 H1 TIP3 3159 74.114 1.943 37.274 1.00 0.00 WT1 H ATOM 11751 H2 TIP3 3159 74.110 0.746 36.348 1.00 0.00 WT1 H ATOM 11752 OH2 TIP3 3160 69.605 36.786 2.090 1.00 0.00 WT1 O ATOM 11753 H1 TIP3 3160 70.112 37.492 2.493 1.00 0.00 WT1 H ATOM 11754 H2 TIP3 3160 69.442 36.171 2.805 1.00 0.00 WT1 H ATOM 11755 OH2 TIP3 3161 75.900 26.457 15.455 1.00 0.00 WT1 O ATOM 11756 H1 TIP3 3161 75.447 25.614 15.490 1.00 0.00 WT1 H ATOM 11757 H2 TIP3 3161 75.705 26.870 16.296 1.00 0.00 WT1 H ATOM 11758 OH2 TIP3 3163 27.610 15.117 -10.379 1.00 0.00 WT1 O ATOM 11759 H1 TIP3 3163 26.708 15.259 -10.093 1.00 0.00 WT1 H ATOM 11760 H2 TIP3 3163 27.530 14.806 -11.281 1.00 0.00 WT1 H ATOM 11761 OH2 TIP3 3164 27.203 14.665 -16.367 1.00 0.00 WT1 O ATOM 11762 H1 TIP3 3164 26.704 14.018 -16.865 1.00 0.00 WT1 H ATOM 11763 H2 TIP3 3164 26.681 15.465 -16.420 1.00 0.00 WT1 H ATOM 11764 OH2 TIP3 3166 37.338 58.210 -10.271 1.00 0.00 WT1 O ATOM 11765 H1 TIP3 3166 37.317 57.405 -9.754 1.00 0.00 WT1 H ATOM 11766 H2 TIP3 3166 38.051 58.722 -9.888 1.00 0.00 WT1 H ATOM 11767 OH2 TIP3 3167 30.843 54.193 24.576 1.00 0.00 WT1 O ATOM 11768 H1 TIP3 3167 30.393 54.228 23.732 1.00 0.00 WT1 H ATOM 11769 H2 TIP3 3167 31.719 54.533 24.395 1.00 0.00 WT1 H ATOM 11770 OH2 TIP3 3168 23.330 78.254 -9.549 1.00 0.00 WT1 O ATOM 11771 H1 TIP3 3168 24.271 78.429 -9.551 1.00 0.00 WT1 H ATOM 11772 H2 TIP3 3168 22.943 79.026 -9.135 1.00 0.00 WT1 H ATOM 11773 OH2 TIP3 3169 29.137 2.794 65.847 1.00 0.00 WT1 O ATOM 11774 H1 TIP3 3169 28.616 2.562 66.615 1.00 0.00 WT1 H ATOM 11775 H2 TIP3 3169 30.043 2.766 66.154 1.00 0.00 WT1 H ATOM 11776 OH2 TIP3 3171 86.529 36.693 43.039 1.00 0.00 WT1 O ATOM 11777 H1 TIP3 3171 86.803 36.047 42.388 1.00 0.00 WT1 H ATOM 11778 H2 TIP3 3171 87.347 37.080 43.352 1.00 0.00 WT1 H ATOM 11779 OH2 TIP3 3173 57.366 94.153 57.607 1.00 0.00 WT1 O ATOM 11780 H1 TIP3 3173 56.927 93.960 56.779 1.00 0.00 WT1 H ATOM 11781 H2 TIP3 3173 57.195 93.387 58.154 1.00 0.00 WT1 H ATOM 11782 OH2 TIP3 3174 67.936 26.715 2.467 1.00 0.00 WT1 O ATOM 11783 H1 TIP3 3174 67.111 26.420 2.082 1.00 0.00 WT1 H ATOM 11784 H2 TIP3 3174 67.804 27.650 2.629 1.00 0.00 WT1 H ATOM 11785 OH2 TIP3 3175 76.698 42.482 28.454 1.00 0.00 WT1 O ATOM 11786 H1 TIP3 3175 75.802 42.514 28.117 1.00 0.00 WT1 H ATOM 11787 H2 TIP3 3175 77.236 42.289 27.687 1.00 0.00 WT1 H ATOM 11788 OH2 TIP3 3176 20.940 27.005 -6.248 1.00 0.00 WT1 O ATOM 11789 H1 TIP3 3176 20.052 27.211 -6.543 1.00 0.00 WT1 H ATOM 11790 H2 TIP3 3176 21.385 27.852 -6.219 1.00 0.00 WT1 H ATOM 11791 OH2 TIP3 3177 82.874 80.543 42.561 1.00 0.00 WT1 O ATOM 11792 H1 TIP3 3177 83.016 81.356 42.077 1.00 0.00 WT1 H ATOM 11793 H2 TIP3 3177 83.208 79.857 41.983 1.00 0.00 WT1 H ATOM 11794 OH2 TIP3 3179 45.873 95.789 32.821 1.00 0.00 WT1 O ATOM 11795 H1 TIP3 3179 46.702 95.424 33.130 1.00 0.00 WT1 H ATOM 11796 H2 TIP3 3179 45.571 96.342 33.541 1.00 0.00 WT1 H ATOM 11797 OH2 TIP3 3180 52.321 32.105 -7.635 1.00 0.00 WT1 O ATOM 11798 H1 TIP3 3180 51.614 31.598 -7.236 1.00 0.00 WT1 H ATOM 11799 H2 TIP3 3180 52.085 33.018 -7.467 1.00 0.00 WT1 H ATOM 11800 OH2 TIP3 3181 72.952 61.950 61.081 1.00 0.00 WT1 O ATOM 11801 H1 TIP3 3181 73.738 61.683 60.604 1.00 0.00 WT1 H ATOM 11802 H2 TIP3 3181 73.189 62.785 61.485 1.00 0.00 WT1 H ATOM 11803 OH2 TIP3 3183 67.781 34.897 -17.955 1.00 0.00 WT1 O ATOM 11804 H1 TIP3 3183 67.052 35.514 -17.900 1.00 0.00 WT1 H ATOM 11805 H2 TIP3 3183 67.915 34.602 -17.054 1.00 0.00 WT1 H ATOM 11806 OH2 TIP3 3184 52.789 61.155 6.208 1.00 0.00 WT1 O ATOM 11807 H1 TIP3 3184 53.396 61.365 5.498 1.00 0.00 WT1 H ATOM 11808 H2 TIP3 3184 52.998 61.785 6.897 1.00 0.00 WT1 H ATOM 11809 OH2 TIP3 3186 43.670 9.568 -16.994 1.00 0.00 WT1 O ATOM 11810 H1 TIP3 3186 44.271 8.974 -17.443 1.00 0.00 WT1 H ATOM 11811 H2 TIP3 3186 43.263 10.075 -17.696 1.00 0.00 WT1 H ATOM 11812 OH2 TIP3 3187 56.415 8.557 22.482 1.00 0.00 WT1 O ATOM 11813 H1 TIP3 3187 56.602 9.495 22.516 1.00 0.00 WT1 H ATOM 11814 H2 TIP3 3187 56.708 8.285 21.613 1.00 0.00 WT1 H ATOM 11815 OH2 TIP3 3188 34.704 26.156 29.996 1.00 0.00 WT1 O ATOM 11816 H1 TIP3 3188 34.211 26.559 29.282 1.00 0.00 WT1 H ATOM 11817 H2 TIP3 3188 34.860 25.258 29.704 1.00 0.00 WT1 H ATOM 11818 OH2 TIP3 3189 89.331 27.502 3.040 1.00 0.00 WT1 O ATOM 11819 H1 TIP3 3189 89.740 28.005 3.744 1.00 0.00 WT1 H ATOM 11820 H2 TIP3 3189 88.953 26.739 3.478 1.00 0.00 WT1 H ATOM 11821 OH2 TIP3 3190 90.153 -0.319 52.314 1.00 0.00 WT1 O ATOM 11822 H1 TIP3 3190 89.496 0.204 51.854 1.00 0.00 WT1 H ATOM 11823 H2 TIP3 3190 90.024 -0.108 53.239 1.00 0.00 WT1 H ATOM 11824 OH2 TIP3 3191 73.990 42.616 11.389 1.00 0.00 WT1 O ATOM 11825 H1 TIP3 3191 73.845 42.817 12.314 1.00 0.00 WT1 H ATOM 11826 H2 TIP3 3191 73.147 42.286 11.080 1.00 0.00 WT1 H ATOM 11827 OH2 TIP3 3192 50.455 5.049 -18.260 1.00 0.00 WT1 O ATOM 11828 H1 TIP3 3192 49.618 5.295 -17.867 1.00 0.00 WT1 H ATOM 11829 H2 TIP3 3192 51.112 5.354 -17.635 1.00 0.00 WT1 H ATOM 11830 OH2 TIP3 3193 83.893 13.750 -11.878 1.00 0.00 WT1 O ATOM 11831 H1 TIP3 3193 83.009 13.449 -11.666 1.00 0.00 WT1 H ATOM 11832 H2 TIP3 3193 83.809 14.149 -12.743 1.00 0.00 WT1 H ATOM 11833 OH2 TIP3 3194 73.762 31.332 -2.482 1.00 0.00 WT1 O ATOM 11834 H1 TIP3 3194 74.139 31.688 -1.678 1.00 0.00 WT1 H ATOM 11835 H2 TIP3 3194 73.156 32.008 -2.784 1.00 0.00 WT1 H ATOM 11836 OH2 TIP3 3195 23.592 92.332 18.242 1.00 0.00 WT1 O ATOM 11837 H1 TIP3 3195 24.119 93.103 18.451 1.00 0.00 WT1 H ATOM 11838 H2 TIP3 3195 22.762 92.479 18.694 1.00 0.00 WT1 H ATOM 11839 OH2 TIP3 3196 60.056 23.401 32.029 1.00 0.00 WT1 O ATOM 11840 H1 TIP3 3196 60.933 23.680 32.291 1.00 0.00 WT1 H ATOM 11841 H2 TIP3 3196 60.071 23.427 31.073 1.00 0.00 WT1 H ATOM 11842 OH2 TIP3 3197 54.318 26.613 14.649 1.00 0.00 WT1 O ATOM 11843 H1 TIP3 3197 54.037 25.864 15.175 1.00 0.00 WT1 H ATOM 11844 H2 TIP3 3197 54.368 27.338 15.271 1.00 0.00 WT1 H ATOM 11845 OH2 TIP3 3198 62.793 12.643 41.154 1.00 0.00 WT1 O ATOM 11846 H1 TIP3 3198 62.183 13.250 40.733 1.00 0.00 WT1 H ATOM 11847 H2 TIP3 3198 62.299 12.276 41.886 1.00 0.00 WT1 H ATOM 11848 OH2 TIP3 3199 64.231 27.731 61.621 1.00 0.00 WT1 O ATOM 11849 H1 TIP3 3199 65.073 27.357 61.363 1.00 0.00 WT1 H ATOM 11850 H2 TIP3 3199 64.399 28.136 62.472 1.00 0.00 WT1 H ATOM 11851 OH2 TIP3 3200 65.728 22.536 38.147 1.00 0.00 WT1 O ATOM 11852 H1 TIP3 3200 66.104 21.673 38.315 1.00 0.00 WT1 H ATOM 11853 H2 TIP3 3200 66.388 23.152 38.466 1.00 0.00 WT1 H ATOM 11854 OH2 TIP3 3202 48.639 2.752 -15.676 1.00 0.00 WT1 O ATOM 11855 H1 TIP3 3202 47.926 3.391 -15.672 1.00 0.00 WT1 H ATOM 11856 H2 TIP3 3202 48.201 1.904 -15.597 1.00 0.00 WT1 H ATOM 11857 OH2 TIP3 3206 77.524 18.466 -13.120 1.00 0.00 WT1 O ATOM 11858 H1 TIP3 3206 76.732 18.076 -13.490 1.00 0.00 WT1 H ATOM 11859 H2 TIP3 3206 77.289 18.673 -12.215 1.00 0.00 WT1 H ATOM 11860 OH2 TIP3 3207 74.341 59.235 -12.794 1.00 0.00 WT1 O ATOM 11861 H1 TIP3 3207 74.031 59.920 -13.387 1.00 0.00 WT1 H ATOM 11862 H2 TIP3 3207 74.075 59.533 -11.924 1.00 0.00 WT1 H ATOM 11863 OH2 TIP3 3208 49.059 46.210 58.503 1.00 0.00 WT1 O ATOM 11864 H1 TIP3 3208 49.496 46.967 58.114 1.00 0.00 WT1 H ATOM 11865 H2 TIP3 3208 48.180 46.524 58.716 1.00 0.00 WT1 H ATOM 11866 OH2 TIP3 3209 63.872 95.461 24.314 1.00 0.00 WT1 O ATOM 11867 H1 TIP3 3209 63.993 94.656 24.817 1.00 0.00 WT1 H ATOM 11868 H2 TIP3 3209 63.662 96.126 24.970 1.00 0.00 WT1 H ATOM 11869 OH2 TIP3 3210 80.905 74.396 48.449 1.00 0.00 WT1 O ATOM 11870 H1 TIP3 3210 80.960 73.444 48.367 1.00 0.00 WT1 H ATOM 11871 H2 TIP3 3210 80.455 74.539 49.281 1.00 0.00 WT1 H ATOM 11872 OH2 TIP3 3211 41.637 64.773 47.377 1.00 0.00 WT1 O ATOM 11873 H1 TIP3 3211 41.534 65.029 46.461 1.00 0.00 WT1 H ATOM 11874 H2 TIP3 3211 42.117 65.498 47.777 1.00 0.00 WT1 H ATOM 11875 OH2 TIP3 3212 24.518 79.766 65.988 1.00 0.00 WT1 O ATOM 11876 H1 TIP3 3212 25.390 79.432 65.776 1.00 0.00 WT1 H ATOM 11877 H2 TIP3 3212 24.591 80.714 65.877 1.00 0.00 WT1 H ATOM 11878 OH2 TIP3 3213 30.410 75.867 58.607 1.00 0.00 WT1 O ATOM 11879 H1 TIP3 3213 30.315 76.808 58.754 1.00 0.00 WT1 H ATOM 11880 H2 TIP3 3213 30.444 75.489 59.486 1.00 0.00 WT1 H ATOM 11881 OH2 TIP3 3214 58.982 90.536 -1.134 1.00 0.00 WT1 O ATOM 11882 H1 TIP3 3214 58.551 90.592 -1.987 1.00 0.00 WT1 H ATOM 11883 H2 TIP3 3214 59.248 89.620 -1.059 1.00 0.00 WT1 H ATOM 11884 OH2 TIP3 3215 26.726 7.167 0.067 1.00 0.00 WT1 O ATOM 11885 H1 TIP3 3215 26.621 6.525 -0.635 1.00 0.00 WT1 H ATOM 11886 H2 TIP3 3215 27.008 7.966 -0.378 1.00 0.00 WT1 H ATOM 11887 OH2 TIP3 3216 35.191 27.241 62.955 1.00 0.00 WT1 O ATOM 11888 H1 TIP3 3216 35.963 26.846 63.360 1.00 0.00 WT1 H ATOM 11889 H2 TIP3 3216 35.539 27.952 62.417 1.00 0.00 WT1 H ATOM 11890 OH2 TIP3 3217 22.224 62.342 43.956 1.00 0.00 WT1 O ATOM 11891 H1 TIP3 3217 22.805 62.372 43.196 1.00 0.00 WT1 H ATOM 11892 H2 TIP3 3217 22.607 61.675 44.525 1.00 0.00 WT1 H ATOM 11893 OH2 TIP3 3218 31.628 28.226 -15.610 1.00 0.00 WT1 O ATOM 11894 H1 TIP3 3218 31.748 29.151 -15.396 1.00 0.00 WT1 H ATOM 11895 H2 TIP3 3218 30.884 27.950 -15.075 1.00 0.00 WT1 H ATOM 11896 OH2 TIP3 3219 44.160 41.490 -9.281 1.00 0.00 WT1 O ATOM 11897 H1 TIP3 3219 44.948 40.966 -9.420 1.00 0.00 WT1 H ATOM 11898 H2 TIP3 3219 43.849 41.231 -8.414 1.00 0.00 WT1 H ATOM 11899 OH2 TIP3 3220 83.286 92.381 -2.069 1.00 0.00 WT1 O ATOM 11900 H1 TIP3 3220 84.208 92.581 -2.228 1.00 0.00 WT1 H ATOM 11901 H2 TIP3 3220 82.837 93.220 -2.173 1.00 0.00 WT1 H ATOM 11902 OH2 TIP3 3223 80.276 15.476 36.654 1.00 0.00 WT1 O ATOM 11903 H1 TIP3 3223 80.799 16.271 36.550 1.00 0.00 WT1 H ATOM 11904 H2 TIP3 3223 80.797 14.790 36.236 1.00 0.00 WT1 H ATOM 11905 OH2 TIP3 3225 55.417 27.755 62.455 1.00 0.00 WT1 O ATOM 11906 H1 TIP3 3225 55.097 28.588 62.799 1.00 0.00 WT1 H ATOM 11907 H2 TIP3 3225 55.502 27.193 63.225 1.00 0.00 WT1 H ATOM 11908 OH2 TIP3 3226 80.595 14.062 -8.582 1.00 0.00 WT1 O ATOM 11909 H1 TIP3 3226 80.286 13.330 -9.116 1.00 0.00 WT1 H ATOM 11910 H2 TIP3 3226 80.014 14.788 -8.810 1.00 0.00 WT1 H ATOM 11911 OH2 TIP3 3227 45.109 9.930 -11.756 1.00 0.00 WT1 O ATOM 11912 H1 TIP3 3227 45.750 9.481 -11.205 1.00 0.00 WT1 H ATOM 11913 H2 TIP3 3227 44.624 9.224 -12.183 1.00 0.00 WT1 H ATOM 11914 OH2 TIP3 3228 37.513 91.603 17.533 1.00 0.00 WT1 O ATOM 11915 H1 TIP3 3228 37.975 90.831 17.861 1.00 0.00 WT1 H ATOM 11916 H2 TIP3 3228 37.924 92.339 17.985 1.00 0.00 WT1 H ATOM 11917 OH2 TIP3 3230 89.979 91.252 42.440 1.00 0.00 WT1 O ATOM 11918 H1 TIP3 3230 90.501 90.633 41.929 1.00 0.00 WT1 H ATOM 11919 H2 TIP3 3230 89.074 90.975 42.300 1.00 0.00 WT1 H ATOM 11920 OH2 TIP3 3231 76.660 5.479 62.138 1.00 0.00 WT1 O ATOM 11921 H1 TIP3 3231 76.482 6.380 61.868 1.00 0.00 WT1 H ATOM 11922 H2 TIP3 3231 75.795 5.078 62.220 1.00 0.00 WT1 H ATOM 11923 OH2 TIP3 3232 40.135 81.225 27.936 1.00 0.00 WT1 O ATOM 11924 H1 TIP3 3232 40.387 81.239 27.012 1.00 0.00 WT1 H ATOM 11925 H2 TIP3 3232 40.236 80.310 28.198 1.00 0.00 WT1 H ATOM 11926 OH2 TIP3 3233 50.031 39.421 -13.718 1.00 0.00 WT1 O ATOM 11927 H1 TIP3 3233 49.234 38.913 -13.563 1.00 0.00 WT1 H ATOM 11928 H2 TIP3 3233 49.943 39.737 -14.618 1.00 0.00 WT1 H ATOM 11929 OH2 TIP3 3234 61.327 57.061 -10.585 1.00 0.00 WT1 O ATOM 11930 H1 TIP3 3234 61.054 56.474 -11.291 1.00 0.00 WT1 H ATOM 11931 H2 TIP3 3234 62.283 57.015 -10.590 1.00 0.00 WT1 H ATOM 11932 OH2 TIP3 3235 82.355 45.618 50.587 1.00 0.00 WT1 O ATOM 11933 H1 TIP3 3235 82.361 46.574 50.544 1.00 0.00 WT1 H ATOM 11934 H2 TIP3 3235 82.589 45.337 49.703 1.00 0.00 WT1 H ATOM 11935 OH2 TIP3 3236 57.387 24.366 -14.900 1.00 0.00 WT1 O ATOM 11936 H1 TIP3 3236 57.866 25.075 -15.328 1.00 0.00 WT1 H ATOM 11937 H2 TIP3 3236 57.337 23.676 -15.562 1.00 0.00 WT1 H ATOM 11938 OH2 TIP3 3237 38.516 78.986 41.651 1.00 0.00 WT1 O ATOM 11939 H1 TIP3 3237 38.323 79.108 40.721 1.00 0.00 WT1 H ATOM 11940 H2 TIP3 3237 37.788 78.459 41.980 1.00 0.00 WT1 H ATOM 11941 OH2 TIP3 3238 27.590 4.880 -4.987 1.00 0.00 WT1 O ATOM 11942 H1 TIP3 3238 28.372 4.595 -5.460 1.00 0.00 WT1 H ATOM 11943 H2 TIP3 3238 27.615 5.836 -5.035 1.00 0.00 WT1 H ATOM 11944 OH2 TIP3 3239 86.934 15.538 6.098 1.00 0.00 WT1 O ATOM 11945 H1 TIP3 3239 87.451 15.749 5.320 1.00 0.00 WT1 H ATOM 11946 H2 TIP3 3239 87.104 16.261 6.702 1.00 0.00 WT1 H ATOM 11947 OH2 TIP3 3240 63.246 60.194 37.225 1.00 0.00 WT1 O ATOM 11948 H1 TIP3 3240 62.594 59.926 36.577 1.00 0.00 WT1 H ATOM 11949 H2 TIP3 3240 63.811 60.809 36.757 1.00 0.00 WT1 H ATOM 11950 OH2 TIP3 3241 27.768 59.822 11.694 1.00 0.00 WT1 O ATOM 11951 H1 TIP3 3241 27.428 60.639 12.059 1.00 0.00 WT1 H ATOM 11952 H2 TIP3 3241 28.286 60.095 10.937 1.00 0.00 WT1 H ATOM 11953 OH2 TIP3 3242 84.581 72.010 15.519 1.00 0.00 WT1 O ATOM 11954 H1 TIP3 3242 83.746 72.113 15.977 1.00 0.00 WT1 H ATOM 11955 H2 TIP3 3242 84.390 71.398 14.808 1.00 0.00 WT1 H ATOM 11956 OH2 TIP3 3243 70.042 86.029 33.584 1.00 0.00 WT1 O ATOM 11957 H1 TIP3 3243 70.115 85.648 32.709 1.00 0.00 WT1 H ATOM 11958 H2 TIP3 3243 69.537 85.387 34.084 1.00 0.00 WT1 H ATOM 11959 OH2 TIP3 3244 57.749 2.958 -4.693 1.00 0.00 WT1 O ATOM 11960 H1 TIP3 3244 57.204 3.591 -4.225 1.00 0.00 WT1 H ATOM 11961 H2 TIP3 3244 57.914 2.264 -4.054 1.00 0.00 WT1 H ATOM 11962 OH2 TIP3 3245 83.969 7.880 9.436 1.00 0.00 WT1 O ATOM 11963 H1 TIP3 3245 83.716 7.590 8.559 1.00 0.00 WT1 H ATOM 11964 H2 TIP3 3245 83.556 8.738 9.533 1.00 0.00 WT1 H ATOM 11965 OH2 TIP3 3246 40.998 9.432 22.007 1.00 0.00 WT1 O ATOM 11966 H1 TIP3 3246 40.645 10.317 21.914 1.00 0.00 WT1 H ATOM 11967 H2 TIP3 3246 41.928 9.563 22.193 1.00 0.00 WT1 H ATOM 11968 OH2 TIP3 3247 80.737 87.671 -0.458 1.00 0.00 WT1 O ATOM 11969 H1 TIP3 3247 80.639 87.171 -1.269 1.00 0.00 WT1 H ATOM 11970 H2 TIP3 3247 81.290 88.414 -0.699 1.00 0.00 WT1 H ATOM 11971 OH2 TIP3 3249 56.456 2.548 -11.814 1.00 0.00 WT1 O ATOM 11972 H1 TIP3 3249 57.243 2.892 -12.237 1.00 0.00 WT1 H ATOM 11973 H2 TIP3 3249 56.607 1.604 -11.759 1.00 0.00 WT1 H ATOM 11974 OH2 TIP3 3250 66.600 75.118 37.495 1.00 0.00 WT1 O ATOM 11975 H1 TIP3 3250 65.920 75.667 37.103 1.00 0.00 WT1 H ATOM 11976 H2 TIP3 3250 66.785 74.454 36.831 1.00 0.00 WT1 H ATOM 11977 OH2 TIP3 3251 62.372 46.855 66.279 1.00 0.00 WT1 O ATOM 11978 H1 TIP3 3251 63.327 46.796 66.297 1.00 0.00 WT1 H ATOM 11979 H2 TIP3 3251 62.132 47.137 67.162 1.00 0.00 WT1 H ATOM 11980 OH2 TIP3 3252 34.982 3.102 58.278 1.00 0.00 WT1 O ATOM 11981 H1 TIP3 3252 35.000 2.424 58.954 1.00 0.00 WT1 H ATOM 11982 H2 TIP3 3252 34.387 2.760 57.611 1.00 0.00 WT1 H ATOM 11983 OH2 TIP3 3253 23.064 93.473 -7.924 1.00 0.00 WT1 O ATOM 11984 H1 TIP3 3253 23.913 93.226 -8.290 1.00 0.00 WT1 H ATOM 11985 H2 TIP3 3253 23.248 93.680 -7.008 1.00 0.00 WT1 H ATOM 11986 OH2 TIP3 3254 35.342 83.584 66.462 1.00 0.00 WT1 O ATOM 11987 H1 TIP3 3254 36.013 83.206 65.893 1.00 0.00 WT1 H ATOM 11988 H2 TIP3 3254 34.528 83.162 66.187 1.00 0.00 WT1 H ATOM 11989 OH2 TIP3 3255 71.574 7.454 66.377 1.00 0.00 WT1 O ATOM 11990 H1 TIP3 3255 71.106 7.516 67.209 1.00 0.00 WT1 H ATOM 11991 H2 TIP3 3255 71.293 8.225 65.884 1.00 0.00 WT1 H ATOM 11992 OH2 TIP3 3256 24.067 50.004 55.826 1.00 0.00 WT1 O ATOM 11993 H1 TIP3 3256 23.156 49.741 55.693 1.00 0.00 WT1 H ATOM 11994 H2 TIP3 3256 24.522 49.698 55.042 1.00 0.00 WT1 H ATOM 11995 OH2 TIP3 3257 66.962 57.995 55.483 1.00 0.00 WT1 O ATOM 11996 H1 TIP3 3257 66.749 58.928 55.451 1.00 0.00 WT1 H ATOM 11997 H2 TIP3 3257 67.226 57.778 54.589 1.00 0.00 WT1 H ATOM 11998 OH2 TIP3 3258 74.306 54.320 62.787 1.00 0.00 WT1 O ATOM 11999 H1 TIP3 3258 74.332 54.470 61.842 1.00 0.00 WT1 H ATOM 12000 H2 TIP3 3258 73.394 54.094 62.969 1.00 0.00 WT1 H ATOM 12001 OH2 TIP3 3259 62.120 10.119 49.997 1.00 0.00 WT1 O ATOM 12002 H1 TIP3 3259 62.084 11.076 50.011 1.00 0.00 WT1 H ATOM 12003 H2 TIP3 3259 61.417 9.862 49.401 1.00 0.00 WT1 H ATOM 12004 OH2 TIP3 3260 38.750 15.292 44.878 1.00 0.00 WT1 O ATOM 12005 H1 TIP3 3260 38.545 14.396 45.145 1.00 0.00 WT1 H ATOM 12006 H2 TIP3 3260 38.740 15.265 43.922 1.00 0.00 WT1 H ATOM 12007 OH2 TIP3 3262 69.602 96.079 5.335 1.00 0.00 WT1 O ATOM 12008 H1 TIP3 3262 69.176 95.763 6.132 1.00 0.00 WT1 H ATOM 12009 H2 TIP3 3262 69.497 97.030 5.368 1.00 0.00 WT1 H ATOM 12010 OH2 TIP3 3263 42.973 74.862 53.390 1.00 0.00 WT1 O ATOM 12011 H1 TIP3 3263 42.516 74.832 52.549 1.00 0.00 WT1 H ATOM 12012 H2 TIP3 3263 42.273 74.904 54.042 1.00 0.00 WT1 H ATOM 12013 OH2 TIP3 3264 33.077 67.267 17.521 1.00 0.00 WT1 O ATOM 12014 H1 TIP3 3264 33.610 66.875 18.212 1.00 0.00 WT1 H ATOM 12015 H2 TIP3 3264 32.956 68.175 17.796 1.00 0.00 WT1 H ATOM 12016 OH2 TIP3 3265 53.203 66.721 11.835 1.00 0.00 WT1 O ATOM 12017 H1 TIP3 3265 53.793 66.897 11.102 1.00 0.00 WT1 H ATOM 12018 H2 TIP3 3265 53.162 67.548 12.315 1.00 0.00 WT1 H ATOM 12019 OH2 TIP3 3266 84.051 5.593 4.225 1.00 0.00 WT1 O ATOM 12020 H1 TIP3 3266 83.438 5.336 3.537 1.00 0.00 WT1 H ATOM 12021 H2 TIP3 3266 84.687 6.155 3.782 1.00 0.00 WT1 H ATOM 12022 OH2 TIP3 3268 65.411 96.043 7.902 1.00 0.00 WT1 O ATOM 12023 H1 TIP3 3268 65.267 95.177 7.518 1.00 0.00 WT1 H ATOM 12024 H2 TIP3 3268 66.362 96.113 7.986 1.00 0.00 WT1 H ATOM 12025 OH2 TIP3 3269 28.069 91.569 39.546 1.00 0.00 WT1 O ATOM 12026 H1 TIP3 3269 28.279 91.246 38.669 1.00 0.00 WT1 H ATOM 12027 H2 TIP3 3269 27.665 90.821 39.986 1.00 0.00 WT1 H ATOM 12028 OH2 TIP3 3270 39.139 34.403 38.586 1.00 0.00 WT1 O ATOM 12029 H1 TIP3 3270 39.567 33.828 37.953 1.00 0.00 WT1 H ATOM 12030 H2 TIP3 3270 38.865 35.164 38.073 1.00 0.00 WT1 H ATOM 12031 OH2 TIP3 3271 59.117 82.299 4.256 1.00 0.00 WT1 O ATOM 12032 H1 TIP3 3271 59.290 81.359 4.198 1.00 0.00 WT1 H ATOM 12033 H2 TIP3 3271 58.710 82.520 3.419 1.00 0.00 WT1 H ATOM 12034 OH2 TIP3 3274 82.194 20.321 -13.956 1.00 0.00 WT1 O ATOM 12035 H1 TIP3 3274 82.482 19.963 -13.116 1.00 0.00 WT1 H ATOM 12036 H2 TIP3 3274 81.239 20.274 -13.923 1.00 0.00 WT1 H ATOM 12037 OH2 TIP3 3276 72.570 48.736 -14.230 1.00 0.00 WT1 O ATOM 12038 H1 TIP3 3276 71.687 48.853 -13.880 1.00 0.00 WT1 H ATOM 12039 H2 TIP3 3276 73.104 48.517 -13.467 1.00 0.00 WT1 H ATOM 12040 OH2 TIP3 3277 50.270 60.183 64.686 1.00 0.00 WT1 O ATOM 12041 H1 TIP3 3277 49.381 60.502 64.530 1.00 0.00 WT1 H ATOM 12042 H2 TIP3 3277 50.161 59.251 64.872 1.00 0.00 WT1 H ATOM 12043 OH2 TIP3 3278 25.277 85.461 26.197 1.00 0.00 WT1 O ATOM 12044 H1 TIP3 3278 26.202 85.701 26.241 1.00 0.00 WT1 H ATOM 12045 H2 TIP3 3278 25.172 84.786 26.867 1.00 0.00 WT1 H ATOM 12046 OH2 TIP3 3279 47.305 28.783 48.837 1.00 0.00 WT1 O ATOM 12047 H1 TIP3 3279 46.606 29.408 49.031 1.00 0.00 WT1 H ATOM 12048 H2 TIP3 3279 47.543 28.965 47.928 1.00 0.00 WT1 H ATOM 12049 OH2 TIP3 3280 60.246 0.629 9.625 1.00 0.00 WT1 O ATOM 12050 H1 TIP3 3280 60.619 -0.125 9.167 1.00 0.00 WT1 H ATOM 12051 H2 TIP3 3280 60.970 0.975 10.147 1.00 0.00 WT1 H ATOM 12052 OH2 TIP3 3281 83.284 89.128 45.346 1.00 0.00 WT1 O ATOM 12053 H1 TIP3 3281 83.583 89.947 45.741 1.00 0.00 WT1 H ATOM 12054 H2 TIP3 3281 84.024 88.833 44.815 1.00 0.00 WT1 H ATOM 12055 OH2 TIP3 3282 22.847 1.525 43.806 1.00 0.00 WT1 O ATOM 12056 H1 TIP3 3282 23.566 2.129 43.619 1.00 0.00 WT1 H ATOM 12057 H2 TIP3 3282 22.921 0.848 43.133 1.00 0.00 WT1 H ATOM 12058 OH2 TIP3 3283 63.872 42.735 11.309 1.00 0.00 WT1 O ATOM 12059 H1 TIP3 3283 63.191 43.221 11.773 1.00 0.00 WT1 H ATOM 12060 H2 TIP3 3283 64.693 43.122 11.615 1.00 0.00 WT1 H ATOM 12061 OH2 TIP3 3284 36.579 17.229 12.304 1.00 0.00 WT1 O ATOM 12062 H1 TIP3 3284 36.986 17.015 11.465 1.00 0.00 WT1 H ATOM 12063 H2 TIP3 3284 37.241 16.998 12.957 1.00 0.00 WT1 H ATOM 12064 OH2 TIP3 3285 32.618 45.451 40.711 1.00 0.00 WT1 O ATOM 12065 H1 TIP3 3285 33.371 45.346 41.293 1.00 0.00 WT1 H ATOM 12066 H2 TIP3 3285 32.960 45.941 39.962 1.00 0.00 WT1 H ATOM 12067 OH2 TIP3 3287 40.830 40.707 48.680 1.00 0.00 WT1 O ATOM 12068 H1 TIP3 3287 41.371 41.493 48.754 1.00 0.00 WT1 H ATOM 12069 H2 TIP3 3287 40.733 40.571 47.737 1.00 0.00 WT1 H ATOM 12070 OH2 TIP3 3289 57.309 65.311 37.325 1.00 0.00 WT1 O ATOM 12071 H1 TIP3 3289 57.787 65.243 36.498 1.00 0.00 WT1 H ATOM 12072 H2 TIP3 3289 56.616 64.654 37.256 1.00 0.00 WT1 H ATOM 12073 OH2 TIP3 3292 86.728 28.969 57.798 1.00 0.00 WT1 O ATOM 12074 H1 TIP3 3292 85.847 28.699 58.057 1.00 0.00 WT1 H ATOM 12075 H2 TIP3 3292 86.658 29.150 56.860 1.00 0.00 WT1 H ATOM 12076 OH2 TIP3 3294 87.905 39.877 9.804 1.00 0.00 WT1 O ATOM 12077 H1 TIP3 3294 88.027 40.614 9.205 1.00 0.00 WT1 H ATOM 12078 H2 TIP3 3294 87.356 39.261 9.317 1.00 0.00 WT1 H ATOM 12079 OH2 TIP3 3295 47.528 84.495 22.814 1.00 0.00 WT1 O ATOM 12080 H1 TIP3 3295 46.886 83.812 23.009 1.00 0.00 WT1 H ATOM 12081 H2 TIP3 3295 47.004 85.237 22.513 1.00 0.00 WT1 H ATOM 12082 OH2 TIP3 3296 56.478 11.524 -1.123 1.00 0.00 WT1 O ATOM 12083 H1 TIP3 3296 57.365 11.854 -0.982 1.00 0.00 WT1 H ATOM 12084 H2 TIP3 3296 56.546 10.582 -0.969 1.00 0.00 WT1 H ATOM 12085 OH2 TIP3 3297 86.401 85.333 -10.942 1.00 0.00 WT1 O ATOM 12086 H1 TIP3 3297 86.531 86.163 -10.482 1.00 0.00 WT1 H ATOM 12087 H2 TIP3 3297 86.638 84.663 -10.301 1.00 0.00 WT1 H ATOM 12088 OH2 TIP3 3298 39.351 56.445 55.672 1.00 0.00 WT1 O ATOM 12089 H1 TIP3 3298 38.414 56.325 55.520 1.00 0.00 WT1 H ATOM 12090 H2 TIP3 3298 39.647 55.604 56.020 1.00 0.00 WT1 H ATOM 12091 OH2 TIP3 3299 45.811 58.578 59.798 1.00 0.00 WT1 O ATOM 12092 H1 TIP3 3299 46.497 59.241 59.719 1.00 0.00 WT1 H ATOM 12093 H2 TIP3 3299 45.598 58.343 58.895 1.00 0.00 WT1 H ATOM 12094 OH2 TIP3 3300 50.100 26.513 53.631 1.00 0.00 WT1 O ATOM 12095 H1 TIP3 3300 49.233 26.114 53.701 1.00 0.00 WT1 H ATOM 12096 H2 TIP3 3300 50.687 25.888 54.056 1.00 0.00 WT1 H ATOM 12097 OH2 TIP3 3301 53.491 52.317 -10.188 1.00 0.00 WT1 O ATOM 12098 H1 TIP3 3301 54.101 53.053 -10.233 1.00 0.00 WT1 H ATOM 12099 H2 TIP3 3301 52.910 52.441 -10.939 1.00 0.00 WT1 H ATOM 12100 OH2 TIP3 3302 24.508 17.480 43.593 1.00 0.00 WT1 O ATOM 12101 H1 TIP3 3302 24.711 16.633 43.195 1.00 0.00 WT1 H ATOM 12102 H2 TIP3 3302 25.307 17.995 43.481 1.00 0.00 WT1 H ATOM 12103 OH2 TIP3 3303 90.862 63.622 -1.910 1.00 0.00 WT1 O ATOM 12104 H1 TIP3 3303 89.993 63.407 -1.572 1.00 0.00 WT1 H ATOM 12105 H2 TIP3 3303 90.815 64.555 -2.118 1.00 0.00 WT1 H ATOM 12106 OH2 TIP3 3304 35.704 7.403 66.731 1.00 0.00 WT1 O ATOM 12107 H1 TIP3 3304 34.920 7.014 66.343 1.00 0.00 WT1 H ATOM 12108 H2 TIP3 3304 36.080 6.705 67.267 1.00 0.00 WT1 H ATOM 12109 OH2 TIP3 3305 80.052 21.479 49.305 1.00 0.00 WT1 O ATOM 12110 H1 TIP3 3305 80.349 20.648 49.676 1.00 0.00 WT1 H ATOM 12111 H2 TIP3 3305 80.155 21.371 48.360 1.00 0.00 WT1 H ATOM 12112 OH2 TIP3 3308 73.511 48.805 -11.405 1.00 0.00 WT1 O ATOM 12113 H1 TIP3 3308 74.188 49.450 -11.608 1.00 0.00 WT1 H ATOM 12114 H2 TIP3 3308 72.743 49.327 -11.174 1.00 0.00 WT1 H ATOM 12115 OH2 TIP3 3309 62.383 7.589 24.450 1.00 0.00 WT1 O ATOM 12116 H1 TIP3 3309 62.439 8.497 24.746 1.00 0.00 WT1 H ATOM 12117 H2 TIP3 3309 62.130 7.652 23.529 1.00 0.00 WT1 H ATOM 12118 OH2 TIP3 3310 83.698 17.799 -15.085 1.00 0.00 WT1 O ATOM 12119 H1 TIP3 3310 84.622 17.784 -14.835 1.00 0.00 WT1 H ATOM 12120 H2 TIP3 3310 83.318 18.503 -14.560 1.00 0.00 WT1 H ATOM 12121 OH2 TIP3 3313 49.844 39.307 38.893 1.00 0.00 WT1 O ATOM 12122 H1 TIP3 3313 50.220 39.855 38.204 1.00 0.00 WT1 H ATOM 12123 H2 TIP3 3313 50.161 38.425 38.698 1.00 0.00 WT1 H ATOM 12124 OH2 TIP3 3316 20.440 15.995 -9.139 1.00 0.00 WT1 O ATOM 12125 H1 TIP3 3316 20.075 16.781 -8.732 1.00 0.00 WT1 H ATOM 12126 H2 TIP3 3316 20.301 15.304 -8.492 1.00 0.00 WT1 H ATOM 12127 OH2 TIP3 3317 29.090 14.617 64.736 1.00 0.00 WT1 O ATOM 12128 H1 TIP3 3317 29.053 14.250 65.619 1.00 0.00 WT1 H ATOM 12129 H2 TIP3 3317 29.253 15.551 64.871 1.00 0.00 WT1 H ATOM 12130 OH2 TIP3 3319 53.529 33.308 3.899 1.00 0.00 WT1 O ATOM 12131 H1 TIP3 3319 52.647 33.289 4.269 1.00 0.00 WT1 H ATOM 12132 H2 TIP3 3319 54.109 33.323 4.661 1.00 0.00 WT1 H ATOM 12133 OH2 TIP3 3320 39.922 26.885 52.818 1.00 0.00 WT1 O ATOM 12134 H1 TIP3 3320 40.189 27.601 53.394 1.00 0.00 WT1 H ATOM 12135 H2 TIP3 3320 40.573 26.886 52.117 1.00 0.00 WT1 H ATOM 12136 OH2 TIP3 3321 44.035 33.052 -12.409 1.00 0.00 WT1 O ATOM 12137 H1 TIP3 3321 43.117 33.289 -12.274 1.00 0.00 WT1 H ATOM 12138 H2 TIP3 3321 44.096 32.148 -12.102 1.00 0.00 WT1 H ATOM 12139 OH2 TIP3 3322 64.797 77.499 44.690 1.00 0.00 WT1 O ATOM 12140 H1 TIP3 3322 64.205 76.847 44.317 1.00 0.00 WT1 H ATOM 12141 H2 TIP3 3322 65.665 77.100 44.626 1.00 0.00 WT1 H ATOM 12142 OH2 TIP3 3323 26.035 52.254 -12.395 1.00 0.00 WT1 O ATOM 12143 H1 TIP3 3323 25.219 51.765 -12.289 1.00 0.00 WT1 H ATOM 12144 H2 TIP3 3323 25.860 53.103 -11.990 1.00 0.00 WT1 H ATOM 12145 OH2 TIP3 3324 37.306 5.486 -19.160 1.00 0.00 WT1 O ATOM 12146 H1 TIP3 3324 36.866 5.205 -18.358 1.00 0.00 WT1 H ATOM 12147 H2 TIP3 3324 38.177 5.760 -18.873 1.00 0.00 WT1 H ATOM 12148 OH2 TIP3 3325 35.217 13.173 65.363 1.00 0.00 WT1 O ATOM 12149 H1 TIP3 3325 35.779 12.828 66.057 1.00 0.00 WT1 H ATOM 12150 H2 TIP3 3325 35.756 13.126 64.573 1.00 0.00 WT1 H ATOM 12151 OH2 TIP3 3326 51.909 36.462 7.427 1.00 0.00 WT1 O ATOM 12152 H1 TIP3 3326 52.178 37.012 6.691 1.00 0.00 WT1 H ATOM 12153 H2 TIP3 3326 52.530 36.674 8.124 1.00 0.00 WT1 H ATOM 12154 OH2 TIP3 3327 59.726 17.342 -8.318 1.00 0.00 WT1 O ATOM 12155 H1 TIP3 3327 59.651 18.135 -7.787 1.00 0.00 WT1 H ATOM 12156 H2 TIP3 3327 59.660 17.651 -9.222 1.00 0.00 WT1 H ATOM 12157 OH2 TIP3 3329 50.664 39.544 5.305 1.00 0.00 WT1 O ATOM 12158 H1 TIP3 3329 51.322 39.229 5.925 1.00 0.00 WT1 H ATOM 12159 H2 TIP3 3329 50.123 40.146 5.816 1.00 0.00 WT1 H ATOM 12160 OH2 TIP3 3332 63.235 89.198 -6.240 1.00 0.00 WT1 O ATOM 12161 H1 TIP3 3332 62.518 89.342 -6.858 1.00 0.00 WT1 H ATOM 12162 H2 TIP3 3332 63.574 90.074 -6.057 1.00 0.00 WT1 H ATOM 12163 OH2 TIP3 3334 51.433 38.766 24.062 1.00 0.00 WT1 O ATOM 12164 H1 TIP3 3334 50.760 39.402 23.819 1.00 0.00 WT1 H ATOM 12165 H2 TIP3 3334 51.167 37.957 23.623 1.00 0.00 WT1 H ATOM 12166 OH2 TIP3 3336 63.583 2.827 34.659 1.00 0.00 WT1 O ATOM 12167 H1 TIP3 3336 63.057 3.292 34.008 1.00 0.00 WT1 H ATOM 12168 H2 TIP3 3336 63.507 1.905 34.413 1.00 0.00 WT1 H ATOM 12169 OH2 TIP3 3337 85.643 57.578 8.556 1.00 0.00 WT1 O ATOM 12170 H1 TIP3 3337 85.017 57.400 9.258 1.00 0.00 WT1 H ATOM 12171 H2 TIP3 3337 85.109 57.613 7.762 1.00 0.00 WT1 H ATOM 12172 OH2 TIP3 3338 48.470 50.283 -0.933 1.00 0.00 WT1 O ATOM 12173 H1 TIP3 3338 48.717 50.306 -0.008 1.00 0.00 WT1 H ATOM 12174 H2 TIP3 3338 47.731 50.887 -1.000 1.00 0.00 WT1 H ATOM 12175 OH2 TIP3 3339 69.240 49.255 19.387 1.00 0.00 WT1 O ATOM 12176 H1 TIP3 3339 68.397 49.352 18.945 1.00 0.00 WT1 H ATOM 12177 H2 TIP3 3339 69.400 50.108 19.790 1.00 0.00 WT1 H ATOM 12178 OH2 TIP3 3341 33.207 31.504 50.338 1.00 0.00 WT1 O ATOM 12179 H1 TIP3 3341 33.931 30.981 50.681 1.00 0.00 WT1 H ATOM 12180 H2 TIP3 3341 32.508 31.397 50.982 1.00 0.00 WT1 H ATOM 12181 OH2 TIP3 3342 89.696 30.188 32.593 1.00 0.00 WT1 O ATOM 12182 H1 TIP3 3342 89.385 30.693 31.843 1.00 0.00 WT1 H ATOM 12183 H2 TIP3 3342 89.721 30.818 33.314 1.00 0.00 WT1 H ATOM 12184 OH2 TIP3 3343 78.294 58.639 31.782 1.00 0.00 WT1 O ATOM 12185 H1 TIP3 3343 77.420 58.921 31.512 1.00 0.00 WT1 H ATOM 12186 H2 TIP3 3343 78.286 58.717 32.736 1.00 0.00 WT1 H ATOM 12187 OH2 TIP3 3344 85.183 8.735 -15.933 1.00 0.00 WT1 O ATOM 12188 H1 TIP3 3344 85.993 8.966 -15.479 1.00 0.00 WT1 H ATOM 12189 H2 TIP3 3344 84.897 9.551 -16.344 1.00 0.00 WT1 H ATOM 12190 OH2 TIP3 3345 42.675 88.934 -10.883 1.00 0.00 WT1 O ATOM 12191 H1 TIP3 3345 42.377 88.031 -10.988 1.00 0.00 WT1 H ATOM 12192 H2 TIP3 3345 42.522 89.131 -9.959 1.00 0.00 WT1 H ATOM 12193 OH2 TIP3 3347 81.053 19.698 -9.365 1.00 0.00 WT1 O ATOM 12194 H1 TIP3 3347 80.468 19.612 -8.613 1.00 0.00 WT1 H ATOM 12195 H2 TIP3 3347 81.263 20.631 -9.399 1.00 0.00 WT1 H ATOM 12196 OH2 TIP3 3348 76.842 83.289 13.762 1.00 0.00 WT1 O ATOM 12197 H1 TIP3 3348 77.512 82.853 13.235 1.00 0.00 WT1 H ATOM 12198 H2 TIP3 3348 77.243 84.118 14.023 1.00 0.00 WT1 H ATOM 12199 OH2 TIP3 3349 31.088 6.136 19.299 1.00 0.00 WT1 O ATOM 12200 H1 TIP3 3349 30.965 5.283 19.716 1.00 0.00 WT1 H ATOM 12201 H2 TIP3 3349 31.992 6.374 19.502 1.00 0.00 WT1 H ATOM 12202 OH2 TIP3 3350 21.084 41.894 59.280 1.00 0.00 WT1 O ATOM 12203 H1 TIP3 3350 21.452 41.556 58.464 1.00 0.00 WT1 H ATOM 12204 H2 TIP3 3350 21.219 41.189 59.914 1.00 0.00 WT1 H ATOM 12205 OH2 TIP3 3355 53.219 25.484 4.162 1.00 0.00 WT1 O ATOM 12206 H1 TIP3 3355 54.133 25.766 4.129 1.00 0.00 WT1 H ATOM 12207 H2 TIP3 3355 53.047 25.335 5.092 1.00 0.00 WT1 H ATOM 12208 OH2 TIP3 3356 51.449 30.961 17.261 1.00 0.00 WT1 O ATOM 12209 H1 TIP3 3356 51.267 31.850 17.568 1.00 0.00 WT1 H ATOM 12210 H2 TIP3 3356 50.607 30.509 17.323 1.00 0.00 WT1 H ATOM 12211 OH2 TIP3 3358 39.883 48.106 32.700 1.00 0.00 WT1 O ATOM 12212 H1 TIP3 3358 39.038 48.108 33.151 1.00 0.00 WT1 H ATOM 12213 H2 TIP3 3358 40.458 48.619 33.268 1.00 0.00 WT1 H ATOM 12214 OH2 TIP3 3359 69.659 45.929 45.255 1.00 0.00 WT1 O ATOM 12215 H1 TIP3 3359 70.608 45.948 45.133 1.00 0.00 WT1 H ATOM 12216 H2 TIP3 3359 69.332 46.643 44.707 1.00 0.00 WT1 H ATOM 12217 OH2 TIP3 3360 68.791 4.562 3.914 1.00 0.00 WT1 O ATOM 12218 H1 TIP3 3360 69.701 4.516 3.621 1.00 0.00 WT1 H ATOM 12219 H2 TIP3 3360 68.825 5.068 4.725 1.00 0.00 WT1 H ATOM 12220 OH2 TIP3 3361 33.186 17.435 -4.813 1.00 0.00 WT1 O ATOM 12221 H1 TIP3 3361 34.006 17.738 -5.203 1.00 0.00 WT1 H ATOM 12222 H2 TIP3 3361 33.405 16.590 -4.421 1.00 0.00 WT1 H ATOM 12223 OH2 TIP3 3362 41.168 51.386 56.304 1.00 0.00 WT1 O ATOM 12224 H1 TIP3 3362 41.796 52.108 56.289 1.00 0.00 WT1 H ATOM 12225 H2 TIP3 3362 40.826 51.347 55.411 1.00 0.00 WT1 H ATOM 12226 OH2 TIP3 3363 50.105 49.924 33.425 1.00 0.00 WT1 O ATOM 12227 H1 TIP3 3363 50.616 50.470 32.827 1.00 0.00 WT1 H ATOM 12228 H2 TIP3 3363 49.395 50.493 33.722 1.00 0.00 WT1 H ATOM 12229 OH2 TIP3 3364 36.728 42.042 54.648 1.00 0.00 WT1 O ATOM 12230 H1 TIP3 3364 37.118 41.249 54.280 1.00 0.00 WT1 H ATOM 12231 H2 TIP3 3364 37.051 42.749 54.090 1.00 0.00 WT1 H ATOM 12232 OH2 TIP3 3365 85.461 42.262 36.427 1.00 0.00 WT1 O ATOM 12233 H1 TIP3 3365 84.618 41.840 36.262 1.00 0.00 WT1 H ATOM 12234 H2 TIP3 3365 85.957 41.616 36.930 1.00 0.00 WT1 H ATOM 12235 OH2 TIP3 3366 63.353 69.593 34.282 1.00 0.00 WT1 O ATOM 12236 H1 TIP3 3366 63.073 68.795 34.732 1.00 0.00 WT1 H ATOM 12237 H2 TIP3 3366 62.537 70.038 34.053 1.00 0.00 WT1 H ATOM 12238 OH2 TIP3 3367 67.366 78.117 -9.942 1.00 0.00 WT1 O ATOM 12239 H1 TIP3 3367 67.855 78.057 -10.763 1.00 0.00 WT1 H ATOM 12240 H2 TIP3 3367 66.524 77.703 -10.133 1.00 0.00 WT1 H ATOM 12241 OH2 TIP3 3368 24.965 45.984 62.692 1.00 0.00 WT1 O ATOM 12242 H1 TIP3 3368 25.551 46.727 62.547 1.00 0.00 WT1 H ATOM 12243 H2 TIP3 3368 24.560 45.828 61.839 1.00 0.00 WT1 H ATOM 12244 OH2 TIP3 3370 85.195 94.061 33.507 1.00 0.00 WT1 O ATOM 12245 H1 TIP3 3370 84.412 93.533 33.658 1.00 0.00 WT1 H ATOM 12246 H2 TIP3 3370 85.924 93.461 33.667 1.00 0.00 WT1 H ATOM 12247 OH2 TIP3 3371 42.357 36.773 4.232 1.00 0.00 WT1 O ATOM 12248 H1 TIP3 3371 42.180 35.854 4.434 1.00 0.00 WT1 H ATOM 12249 H2 TIP3 3371 42.975 37.052 4.908 1.00 0.00 WT1 H ATOM 12250 OH2 TIP3 3373 34.899 91.798 0.754 1.00 0.00 WT1 O ATOM 12251 H1 TIP3 3373 35.289 91.309 1.478 1.00 0.00 WT1 H ATOM 12252 H2 TIP3 3373 33.964 91.818 0.954 1.00 0.00 WT1 H ATOM 12253 OH2 TIP3 3377 87.155 63.223 59.342 1.00 0.00 WT1 O ATOM 12254 H1 TIP3 3377 86.651 62.465 59.637 1.00 0.00 WT1 H ATOM 12255 H2 TIP3 3377 86.657 63.569 58.602 1.00 0.00 WT1 H ATOM 12256 OH2 TIP3 3379 89.642 9.831 -11.087 1.00 0.00 WT1 O ATOM 12257 H1 TIP3 3379 89.624 10.706 -10.700 1.00 0.00 WT1 H ATOM 12258 H2 TIP3 3379 90.572 9.644 -11.218 1.00 0.00 WT1 H ATOM 12259 OH2 TIP3 3380 56.878 40.755 35.901 1.00 0.00 WT1 O ATOM 12260 H1 TIP3 3380 57.084 41.360 36.614 1.00 0.00 WT1 H ATOM 12261 H2 TIP3 3380 56.135 40.247 36.225 1.00 0.00 WT1 H ATOM 12262 OH2 TIP3 3381 26.823 32.872 47.156 1.00 0.00 WT1 O ATOM 12263 H1 TIP3 3381 27.637 33.375 47.187 1.00 0.00 WT1 H ATOM 12264 H2 TIP3 3381 27.027 32.058 47.616 1.00 0.00 WT1 H ATOM 12265 OH2 TIP3 3382 54.921 40.731 59.039 1.00 0.00 WT1 O ATOM 12266 H1 TIP3 3382 55.243 41.361 59.684 1.00 0.00 WT1 H ATOM 12267 H2 TIP3 3382 55.004 41.184 58.199 1.00 0.00 WT1 H ATOM 12268 OH2 TIP3 3383 35.053 9.846 63.857 1.00 0.00 WT1 O ATOM 12269 H1 TIP3 3383 34.311 10.080 64.415 1.00 0.00 WT1 H ATOM 12270 H2 TIP3 3383 35.746 9.599 64.469 1.00 0.00 WT1 H ATOM 12271 OH2 TIP3 3384 84.021 91.862 38.251 1.00 0.00 WT1 O ATOM 12272 H1 TIP3 3384 83.217 91.398 38.019 1.00 0.00 WT1 H ATOM 12273 H2 TIP3 3384 84.343 92.214 37.421 1.00 0.00 WT1 H ATOM 12274 OH2 TIP3 3385 76.488 30.843 38.752 1.00 0.00 WT1 O ATOM 12275 H1 TIP3 3385 76.157 31.142 39.599 1.00 0.00 WT1 H ATOM 12276 H2 TIP3 3385 77.367 31.218 38.691 1.00 0.00 WT1 H ATOM 12277 OH2 TIP3 3386 45.475 73.131 5.459 1.00 0.00 WT1 O ATOM 12278 H1 TIP3 3386 45.504 72.812 6.361 1.00 0.00 WT1 H ATOM 12279 H2 TIP3 3386 44.888 72.523 5.009 1.00 0.00 WT1 H ATOM 12280 OH2 TIP3 3387 72.716 54.414 -6.507 1.00 0.00 WT1 O ATOM 12281 H1 TIP3 3387 73.203 55.201 -6.754 1.00 0.00 WT1 H ATOM 12282 H2 TIP3 3387 71.932 54.745 -6.069 1.00 0.00 WT1 H ATOM 12283 OH2 TIP3 3388 76.056 68.849 36.752 1.00 0.00 WT1 O ATOM 12284 H1 TIP3 3388 75.276 68.950 37.298 1.00 0.00 WT1 H ATOM 12285 H2 TIP3 3388 75.771 69.110 35.876 1.00 0.00 WT1 H ATOM 12286 OH2 TIP3 3389 42.700 33.678 50.344 1.00 0.00 WT1 O ATOM 12287 H1 TIP3 3389 43.374 34.085 50.889 1.00 0.00 WT1 H ATOM 12288 H2 TIP3 3389 42.703 34.191 49.536 1.00 0.00 WT1 H ATOM 12289 OH2 TIP3 3390 67.661 18.692 33.553 1.00 0.00 WT1 O ATOM 12290 H1 TIP3 3390 68.416 19.056 33.091 1.00 0.00 WT1 H ATOM 12291 H2 TIP3 3390 67.897 17.780 33.720 1.00 0.00 WT1 H ATOM 12292 OH2 TIP3 3393 43.178 91.197 0.947 1.00 0.00 WT1 O ATOM 12293 H1 TIP3 3393 43.667 92.019 0.994 1.00 0.00 WT1 H ATOM 12294 H2 TIP3 3393 43.424 90.725 1.742 1.00 0.00 WT1 H ATOM 12295 OH2 TIP3 3398 29.335 51.504 49.466 1.00 0.00 WT1 O ATOM 12296 H1 TIP3 3398 29.610 52.377 49.748 1.00 0.00 WT1 H ATOM 12297 H2 TIP3 3398 29.452 50.955 50.241 1.00 0.00 WT1 H ATOM 12298 OH2 TIP3 3401 40.140 36.798 33.773 1.00 0.00 WT1 O ATOM 12299 H1 TIP3 3401 39.575 37.476 33.401 1.00 0.00 WT1 H ATOM 12300 H2 TIP3 3401 40.807 37.282 34.259 1.00 0.00 WT1 H ATOM 12301 OH2 TIP3 3402 75.005 16.295 55.957 1.00 0.00 WT1 O ATOM 12302 H1 TIP3 3402 74.448 15.519 55.888 1.00 0.00 WT1 H ATOM 12303 H2 TIP3 3402 74.522 16.978 55.491 1.00 0.00 WT1 H ATOM 12304 OH2 TIP3 3404 49.580 67.980 1.996 1.00 0.00 WT1 O ATOM 12305 H1 TIP3 3404 49.810 68.348 2.850 1.00 0.00 WT1 H ATOM 12306 H2 TIP3 3404 48.692 67.642 2.113 1.00 0.00 WT1 H ATOM 12307 OH2 TIP3 3405 65.907 18.323 48.181 1.00 0.00 WT1 O ATOM 12308 H1 TIP3 3405 65.529 18.882 48.860 1.00 0.00 WT1 H ATOM 12309 H2 TIP3 3405 65.569 18.681 47.360 1.00 0.00 WT1 H ATOM 12310 OH2 TIP3 3406 46.575 15.865 58.414 1.00 0.00 WT1 O ATOM 12311 H1 TIP3 3406 45.716 15.493 58.214 1.00 0.00 WT1 H ATOM 12312 H2 TIP3 3406 46.845 16.295 57.603 1.00 0.00 WT1 H ATOM 12313 OH2 TIP3 3407 84.016 84.991 -12.276 1.00 0.00 WT1 O ATOM 12314 H1 TIP3 3407 84.834 85.255 -11.855 1.00 0.00 WT1 H ATOM 12315 H2 TIP3 3407 83.508 84.579 -11.577 1.00 0.00 WT1 H ATOM 12316 OH2 TIP3 3408 64.405 25.003 13.864 1.00 0.00 WT1 O ATOM 12317 H1 TIP3 3408 64.185 24.131 14.191 1.00 0.00 WT1 H ATOM 12318 H2 TIP3 3408 63.569 25.367 13.572 1.00 0.00 WT1 H ATOM 12319 OH2 TIP3 3409 43.916 1.113 -2.022 1.00 0.00 WT1 O ATOM 12320 H1 TIP3 3409 43.662 0.252 -2.353 1.00 0.00 WT1 H ATOM 12321 H2 TIP3 3409 44.594 0.930 -1.371 1.00 0.00 WT1 H ATOM 12322 OH2 TIP3 3410 40.417 69.955 34.216 1.00 0.00 WT1 O ATOM 12323 H1 TIP3 3410 40.324 70.721 34.782 1.00 0.00 WT1 H ATOM 12324 H2 TIP3 3410 41.272 69.590 34.444 1.00 0.00 WT1 H ATOM 12325 OH2 TIP3 3411 37.209 32.637 -18.578 1.00 0.00 WT1 O ATOM 12326 H1 TIP3 3411 38.131 32.863 -18.462 1.00 0.00 WT1 H ATOM 12327 H2 TIP3 3411 36.889 32.472 -17.690 1.00 0.00 WT1 H ATOM 12328 OH2 TIP3 3412 41.216 46.180 39.068 1.00 0.00 WT1 O ATOM 12329 H1 TIP3 3412 41.277 46.519 39.961 1.00 0.00 WT1 H ATOM 12330 H2 TIP3 3412 41.638 46.849 38.529 1.00 0.00 WT1 H ATOM 12331 OH2 TIP3 3420 35.945 49.438 43.849 1.00 0.00 WT1 O ATOM 12332 H1 TIP3 3420 35.355 49.606 44.584 1.00 0.00 WT1 H ATOM 12333 H2 TIP3 3420 36.703 49.997 44.018 1.00 0.00 WT1 H ATOM 12334 OH2 TIP3 3421 51.158 52.764 23.794 1.00 0.00 WT1 O ATOM 12335 H1 TIP3 3421 51.926 52.301 23.458 1.00 0.00 WT1 H ATOM 12336 H2 TIP3 3421 51.315 53.682 23.572 1.00 0.00 WT1 H ATOM 12337 OH2 TIP3 3422 32.691 18.607 7.577 1.00 0.00 WT1 O ATOM 12338 H1 TIP3 3422 32.465 17.701 7.788 1.00 0.00 WT1 H ATOM 12339 H2 TIP3 3422 33.598 18.702 7.867 1.00 0.00 WT1 H ATOM 12340 OH2 TIP3 3423 40.505 96.686 36.731 1.00 0.00 WT1 O ATOM 12341 H1 TIP3 3423 39.899 96.837 36.006 1.00 0.00 WT1 H ATOM 12342 H2 TIP3 3423 40.705 95.751 36.687 1.00 0.00 WT1 H ATOM 12343 OH2 TIP3 3424 24.556 64.321 54.273 1.00 0.00 WT1 O ATOM 12344 H1 TIP3 3424 25.429 64.074 53.967 1.00 0.00 WT1 H ATOM 12345 H2 TIP3 3424 24.476 65.248 54.048 1.00 0.00 WT1 H ATOM 12346 OH2 TIP3 3425 22.086 55.922 32.515 1.00 0.00 WT1 O ATOM 12347 H1 TIP3 3425 23.039 55.997 32.471 1.00 0.00 WT1 H ATOM 12348 H2 TIP3 3425 21.845 55.450 31.718 1.00 0.00 WT1 H ATOM 12349 OH2 TIP3 3426 37.825 71.871 7.852 1.00 0.00 WT1 O ATOM 12350 H1 TIP3 3426 38.532 71.226 7.829 1.00 0.00 WT1 H ATOM 12351 H2 TIP3 3426 37.169 71.487 8.434 1.00 0.00 WT1 H ATOM 12352 OH2 TIP3 3427 20.379 1.921 -5.574 1.00 0.00 WT1 O ATOM 12353 H1 TIP3 3427 20.998 1.659 -4.893 1.00 0.00 WT1 H ATOM 12354 H2 TIP3 3427 20.883 2.500 -6.147 1.00 0.00 WT1 H ATOM 12355 OH2 TIP3 3428 63.417 5.258 63.416 1.00 0.00 WT1 O ATOM 12356 H1 TIP3 3428 63.176 4.390 63.091 1.00 0.00 WT1 H ATOM 12357 H2 TIP3 3428 63.639 5.755 62.629 1.00 0.00 WT1 H ATOM 12358 OH2 TIP3 3429 54.161 35.077 38.056 1.00 0.00 WT1 O ATOM 12359 H1 TIP3 3429 53.671 34.257 38.003 1.00 0.00 WT1 H ATOM 12360 H2 TIP3 3429 54.339 35.310 37.145 1.00 0.00 WT1 H ATOM 12361 OH2 TIP3 3430 88.195 84.594 16.533 1.00 0.00 WT1 O ATOM 12362 H1 TIP3 3430 88.751 83.983 16.050 1.00 0.00 WT1 H ATOM 12363 H2 TIP3 3430 88.675 84.767 17.342 1.00 0.00 WT1 H ATOM 12364 OH2 TIP3 3431 27.106 39.243 28.230 1.00 0.00 WT1 O ATOM 12365 H1 TIP3 3431 27.067 39.739 27.412 1.00 0.00 WT1 H ATOM 12366 H2 TIP3 3431 27.799 38.599 28.087 1.00 0.00 WT1 H ATOM 12367 OH2 TIP3 3432 66.903 46.721 -16.333 1.00 0.00 WT1 O ATOM 12368 H1 TIP3 3432 66.893 47.664 -16.496 1.00 0.00 WT1 H ATOM 12369 H2 TIP3 3432 66.373 46.608 -15.544 1.00 0.00 WT1 H ATOM 12370 OH2 TIP3 3433 60.135 63.537 37.121 1.00 0.00 WT1 O ATOM 12371 H1 TIP3 3433 59.617 63.339 36.341 1.00 0.00 WT1 H ATOM 12372 H2 TIP3 3433 60.077 62.745 37.655 1.00 0.00 WT1 H ATOM 12373 OH2 TIP3 3434 69.485 76.000 53.555 1.00 0.00 WT1 O ATOM 12374 H1 TIP3 3434 70.349 76.043 53.965 1.00 0.00 WT1 H ATOM 12375 H2 TIP3 3434 69.533 75.241 52.973 1.00 0.00 WT1 H ATOM 12376 OH2 TIP3 3436 30.888 69.410 6.856 1.00 0.00 WT1 O ATOM 12377 H1 TIP3 3436 30.311 68.659 6.998 1.00 0.00 WT1 H ATOM 12378 H2 TIP3 3436 30.901 69.865 7.697 1.00 0.00 WT1 H ATOM 12379 OH2 TIP3 3437 23.720 89.249 32.476 1.00 0.00 WT1 O ATOM 12380 H1 TIP3 3437 23.644 88.320 32.260 1.00 0.00 WT1 H ATOM 12381 H2 TIP3 3437 24.197 89.629 31.738 1.00 0.00 WT1 H ATOM 12382 OH2 TIP3 3438 50.476 20.931 0.680 1.00 0.00 WT1 O ATOM 12383 H1 TIP3 3438 50.436 21.346 1.542 1.00 0.00 WT1 H ATOM 12384 H2 TIP3 3438 50.214 21.620 0.070 1.00 0.00 WT1 H ATOM 12385 OH2 TIP3 3439 79.847 69.832 1.901 1.00 0.00 WT1 O ATOM 12386 H1 TIP3 3439 79.638 69.838 2.836 1.00 0.00 WT1 H ATOM 12387 H2 TIP3 3439 79.405 69.054 1.562 1.00 0.00 WT1 H ATOM 12388 OH2 TIP3 3440 68.281 34.419 30.360 1.00 0.00 WT1 O ATOM 12389 H1 TIP3 3440 67.619 33.748 30.527 1.00 0.00 WT1 H ATOM 12390 H2 TIP3 3440 67.889 35.229 30.686 1.00 0.00 WT1 H ATOM 12391 OH2 TIP3 3441 66.871 2.139 0.109 1.00 0.00 WT1 O ATOM 12392 H1 TIP3 3441 67.142 2.738 0.805 1.00 0.00 WT1 H ATOM 12393 H2 TIP3 3441 67.205 2.539 -0.694 1.00 0.00 WT1 H ATOM 12394 OH2 TIP3 3442 22.498 3.647 60.114 1.00 0.00 WT1 O ATOM 12395 H1 TIP3 3442 23.159 3.923 59.478 1.00 0.00 WT1 H ATOM 12396 H2 TIP3 3442 22.909 3.794 60.966 1.00 0.00 WT1 H ATOM 12397 OH2 TIP3 3444 38.618 36.198 6.973 1.00 0.00 WT1 O ATOM 12398 H1 TIP3 3444 39.397 36.754 6.991 1.00 0.00 WT1 H ATOM 12399 H2 TIP3 3444 38.302 36.197 7.876 1.00 0.00 WT1 H ATOM 12400 OH2 TIP3 3445 21.526 65.560 -15.794 1.00 0.00 WT1 O ATOM 12401 H1 TIP3 3445 20.899 65.461 -16.510 1.00 0.00 WT1 H ATOM 12402 H2 TIP3 3445 21.033 66.000 -15.102 1.00 0.00 WT1 H ATOM 12403 OH2 TIP3 3446 40.421 28.975 47.173 1.00 0.00 WT1 O ATOM 12404 H1 TIP3 3446 39.675 28.706 47.708 1.00 0.00 WT1 H ATOM 12405 H2 TIP3 3446 40.589 28.227 46.601 1.00 0.00 WT1 H ATOM 12406 OH2 TIP3 3447 29.327 14.532 -8.551 1.00 0.00 WT1 O ATOM 12407 H1 TIP3 3447 28.493 14.570 -9.020 1.00 0.00 WT1 H ATOM 12408 H2 TIP3 3447 29.976 14.821 -9.192 1.00 0.00 WT1 H ATOM 12409 OH2 TIP3 3448 76.847 70.742 11.958 1.00 0.00 WT1 O ATOM 12410 H1 TIP3 3448 76.808 70.665 11.004 1.00 0.00 WT1 H ATOM 12411 H2 TIP3 3448 76.015 71.147 12.200 1.00 0.00 WT1 H ATOM 12412 OH2 TIP3 3449 36.837 78.289 18.126 1.00 0.00 WT1 O ATOM 12413 H1 TIP3 3449 35.981 78.656 18.348 1.00 0.00 WT1 H ATOM 12414 H2 TIP3 3449 37.025 77.674 18.835 1.00 0.00 WT1 H ATOM 12415 OH2 TIP3 3450 49.163 63.763 -5.669 1.00 0.00 WT1 O ATOM 12416 H1 TIP3 3450 48.239 63.515 -5.640 1.00 0.00 WT1 H ATOM 12417 H2 TIP3 3450 49.156 64.719 -5.632 1.00 0.00 WT1 H ATOM 12418 OH2 TIP3 3451 33.014 54.539 -8.486 1.00 0.00 WT1 O ATOM 12419 H1 TIP3 3451 32.644 54.376 -7.618 1.00 0.00 WT1 H ATOM 12420 H2 TIP3 3451 32.931 53.702 -8.943 1.00 0.00 WT1 H ATOM 12421 OH2 TIP3 3452 52.542 50.026 0.913 1.00 0.00 WT1 O ATOM 12422 H1 TIP3 3452 53.389 49.600 0.783 1.00 0.00 WT1 H ATOM 12423 H2 TIP3 3452 52.582 50.374 1.804 1.00 0.00 WT1 H ATOM 12424 OH2 TIP3 3456 52.248 73.159 42.071 1.00 0.00 WT1 O ATOM 12425 H1 TIP3 3456 51.477 73.707 41.925 1.00 0.00 WT1 H ATOM 12426 H2 TIP3 3456 52.068 72.357 41.580 1.00 0.00 WT1 H ATOM 12427 OH2 TIP3 3459 86.689 28.521 50.766 1.00 0.00 WT1 O ATOM 12428 H1 TIP3 3459 87.452 28.056 50.423 1.00 0.00 WT1 H ATOM 12429 H2 TIP3 3459 86.178 27.847 51.214 1.00 0.00 WT1 H ATOM 12430 OH2 TIP3 3460 62.988 67.855 24.778 1.00 0.00 WT1 O ATOM 12431 H1 TIP3 3460 62.274 67.509 24.242 1.00 0.00 WT1 H ATOM 12432 H2 TIP3 3460 62.598 67.984 25.642 1.00 0.00 WT1 H ATOM 12433 OH2 TIP3 3461 35.220 41.875 -2.883 1.00 0.00 WT1 O ATOM 12434 H1 TIP3 3461 34.288 41.879 -2.665 1.00 0.00 WT1 H ATOM 12435 H2 TIP3 3461 35.254 42.170 -3.793 1.00 0.00 WT1 H ATOM 12436 OH2 TIP3 3462 60.846 14.124 15.049 1.00 0.00 WT1 O ATOM 12437 H1 TIP3 3462 59.971 14.025 15.423 1.00 0.00 WT1 H ATOM 12438 H2 TIP3 3462 61.129 14.996 15.326 1.00 0.00 WT1 H ATOM 12439 OH2 TIP3 3465 50.937 40.304 65.472 1.00 0.00 WT1 O ATOM 12440 H1 TIP3 3465 50.753 40.268 66.410 1.00 0.00 WT1 H ATOM 12441 H2 TIP3 3465 51.375 41.146 65.345 1.00 0.00 WT1 H ATOM 12442 OH2 TIP3 3466 34.543 85.382 48.613 1.00 0.00 WT1 O ATOM 12443 H1 TIP3 3466 34.624 86.318 48.433 1.00 0.00 WT1 H ATOM 12444 H2 TIP3 3466 35.125 84.965 47.978 1.00 0.00 WT1 H ATOM 12445 OH2 TIP3 3467 42.034 18.426 -13.997 1.00 0.00 WT1 O ATOM 12446 H1 TIP3 3467 41.251 17.885 -14.097 1.00 0.00 WT1 H ATOM 12447 H2 TIP3 3467 42.763 17.817 -14.121 1.00 0.00 WT1 H ATOM 12448 OH2 TIP3 3468 86.089 78.747 -13.632 1.00 0.00 WT1 O ATOM 12449 H1 TIP3 3468 85.568 79.005 -12.872 1.00 0.00 WT1 H ATOM 12450 H2 TIP3 3468 86.933 79.180 -13.502 1.00 0.00 WT1 H ATOM 12451 OH2 TIP3 3469 54.210 60.044 67.045 1.00 0.00 WT1 O ATOM 12452 H1 TIP3 3469 53.670 59.302 67.319 1.00 0.00 WT1 H ATOM 12453 H2 TIP3 3469 53.882 60.270 66.175 1.00 0.00 WT1 H ATOM 12454 OH2 TIP3 3470 45.441 48.032 56.047 1.00 0.00 WT1 O ATOM 12455 H1 TIP3 3470 45.777 48.596 55.351 1.00 0.00 WT1 H ATOM 12456 H2 TIP3 3470 44.664 48.487 56.371 1.00 0.00 WT1 H ATOM 12457 OH2 TIP3 3471 42.109 64.183 -12.087 1.00 0.00 WT1 O ATOM 12458 H1 TIP3 3471 42.861 64.292 -12.669 1.00 0.00 WT1 H ATOM 12459 H2 TIP3 3471 42.414 64.503 -11.238 1.00 0.00 WT1 H ATOM 12460 OH2 TIP3 3472 69.744 31.736 -11.061 1.00 0.00 WT1 O ATOM 12461 H1 TIP3 3472 70.176 32.089 -10.282 1.00 0.00 WT1 H ATOM 12462 H2 TIP3 3472 70.066 30.837 -11.127 1.00 0.00 WT1 H ATOM 12463 OH2 TIP3 3473 37.364 49.916 -9.769 1.00 0.00 WT1 O ATOM 12464 H1 TIP3 3473 37.195 50.443 -10.550 1.00 0.00 WT1 H ATOM 12465 H2 TIP3 3473 38.279 49.647 -9.855 1.00 0.00 WT1 H ATOM 12466 OH2 TIP3 3474 27.062 24.693 29.956 1.00 0.00 WT1 O ATOM 12467 H1 TIP3 3474 27.203 25.629 30.103 1.00 0.00 WT1 H ATOM 12468 H2 TIP3 3474 26.837 24.628 29.028 1.00 0.00 WT1 H ATOM 12469 OH2 TIP3 3475 55.441 54.445 12.392 1.00 0.00 WT1 O ATOM 12470 H1 TIP3 3475 55.815 55.117 12.962 1.00 0.00 WT1 H ATOM 12471 H2 TIP3 3475 54.494 54.565 12.469 1.00 0.00 WT1 H ATOM 12472 OH2 TIP3 3476 26.170 3.756 -15.657 1.00 0.00 WT1 O ATOM 12473 H1 TIP3 3476 25.833 4.129 -14.842 1.00 0.00 WT1 H ATOM 12474 H2 TIP3 3476 25.778 4.292 -16.346 1.00 0.00 WT1 H ATOM 12475 OH2 TIP3 3481 37.885 35.432 -1.145 1.00 0.00 WT1 O ATOM 12476 H1 TIP3 3481 38.430 34.759 -0.736 1.00 0.00 WT1 H ATOM 12477 H2 TIP3 3481 38.467 35.863 -1.771 1.00 0.00 WT1 H ATOM 12478 OH2 TIP3 3482 32.364 27.535 14.551 1.00 0.00 WT1 O ATOM 12479 H1 TIP3 3482 32.409 27.254 13.636 1.00 0.00 WT1 H ATOM 12480 H2 TIP3 3482 32.306 28.489 14.506 1.00 0.00 WT1 H ATOM 12481 OH2 TIP3 3483 29.625 62.332 40.293 1.00 0.00 WT1 O ATOM 12482 H1 TIP3 3483 29.714 62.182 39.352 1.00 0.00 WT1 H ATOM 12483 H2 TIP3 3483 30.414 62.818 40.534 1.00 0.00 WT1 H ATOM 12484 OH2 TIP3 3484 67.230 73.289 21.805 1.00 0.00 WT1 O ATOM 12485 H1 TIP3 3484 66.394 73.272 21.339 1.00 0.00 WT1 H ATOM 12486 H2 TIP3 3484 67.200 72.522 22.377 1.00 0.00 WT1 H ATOM 12487 OH2 TIP3 3485 79.883 56.277 32.835 1.00 0.00 WT1 O ATOM 12488 H1 TIP3 3485 79.378 55.478 32.986 1.00 0.00 WT1 H ATOM 12489 H2 TIP3 3485 79.255 56.890 32.454 1.00 0.00 WT1 H ATOM 12490 OH2 TIP3 3486 53.716 23.892 -18.019 1.00 0.00 WT1 O ATOM 12491 H1 TIP3 3486 53.577 23.752 -17.082 1.00 0.00 WT1 H ATOM 12492 H2 TIP3 3486 54.493 24.450 -18.065 1.00 0.00 WT1 H ATOM 12493 OH2 TIP3 3487 21.372 45.816 -19.740 1.00 0.00 WT1 O ATOM 12494 H1 TIP3 3487 20.899 45.015 -19.514 1.00 0.00 WT1 H ATOM 12495 H2 TIP3 3487 22.229 45.512 -20.040 1.00 0.00 WT1 H ATOM 12496 OH2 TIP3 3488 48.223 58.221 -11.921 1.00 0.00 WT1 O ATOM 12497 H1 TIP3 3488 47.590 58.685 -11.372 1.00 0.00 WT1 H ATOM 12498 H2 TIP3 3488 49.049 58.683 -11.778 1.00 0.00 WT1 H ATOM 12499 OH2 TIP3 3489 51.818 63.929 53.983 1.00 0.00 WT1 O ATOM 12500 H1 TIP3 3489 51.792 64.640 53.343 1.00 0.00 WT1 H ATOM 12501 H2 TIP3 3489 51.659 63.137 53.469 1.00 0.00 WT1 H ATOM 12502 OH2 TIP3 3490 83.500 89.917 50.215 1.00 0.00 WT1 O ATOM 12503 H1 TIP3 3490 83.958 90.483 50.836 1.00 0.00 WT1 H ATOM 12504 H2 TIP3 3490 82.636 89.782 50.605 1.00 0.00 WT1 H ATOM 12505 OH2 TIP3 3491 24.830 51.622 5.325 1.00 0.00 WT1 O ATOM 12506 H1 TIP3 3491 23.946 51.985 5.388 1.00 0.00 WT1 H ATOM 12507 H2 TIP3 3491 24.742 50.878 4.730 1.00 0.00 WT1 H ATOM 12508 OH2 TIP3 3492 47.506 96.310 51.540 1.00 0.00 WT1 O ATOM 12509 H1 TIP3 3492 47.323 95.570 52.119 1.00 0.00 WT1 H ATOM 12510 H2 TIP3 3492 48.137 95.969 50.906 1.00 0.00 WT1 H ATOM 12511 OH2 TIP3 3494 48.483 55.536 -11.088 1.00 0.00 WT1 O ATOM 12512 H1 TIP3 3494 49.428 55.555 -10.935 1.00 0.00 WT1 H ATOM 12513 H2 TIP3 3494 48.278 56.407 -11.430 1.00 0.00 WT1 H ATOM 12514 OH2 TIP3 3495 50.915 68.765 -12.226 1.00 0.00 WT1 O ATOM 12515 H1 TIP3 3495 51.757 68.405 -11.945 1.00 0.00 WT1 H ATOM 12516 H2 TIP3 3495 50.277 68.377 -11.627 1.00 0.00 WT1 H ATOM 12517 OH2 TIP3 3496 49.592 85.457 14.361 1.00 0.00 WT1 O ATOM 12518 H1 TIP3 3496 50.476 85.214 14.086 1.00 0.00 WT1 H ATOM 12519 H2 TIP3 3496 49.649 85.534 15.313 1.00 0.00 WT1 H ATOM 12520 OH2 TIP3 3497 40.192 82.280 -0.934 1.00 0.00 WT1 O ATOM 12521 H1 TIP3 3497 39.661 82.047 -0.173 1.00 0.00 WT1 H ATOM 12522 H2 TIP3 3497 39.899 81.683 -1.622 1.00 0.00 WT1 H ATOM 12523 OH2 TIP3 3501 53.904 41.458 23.770 1.00 0.00 WT1 O ATOM 12524 H1 TIP3 3501 54.562 41.841 23.190 1.00 0.00 WT1 H ATOM 12525 H2 TIP3 3501 53.290 41.020 23.180 1.00 0.00 WT1 H ATOM 12526 OH2 TIP3 3502 82.670 69.858 24.478 1.00 0.00 WT1 O ATOM 12527 H1 TIP3 3502 81.908 69.315 24.682 1.00 0.00 WT1 H ATOM 12528 H2 TIP3 3502 82.402 70.371 23.716 1.00 0.00 WT1 H ATOM 12529 OH2 TIP3 3504 22.763 70.121 27.508 1.00 0.00 WT1 O ATOM 12530 H1 TIP3 3504 21.905 70.376 27.169 1.00 0.00 WT1 H ATOM 12531 H2 TIP3 3504 23.344 70.166 26.748 1.00 0.00 WT1 H ATOM 12532 OH2 TIP3 3506 71.316 78.647 31.432 1.00 0.00 WT1 O ATOM 12533 H1 TIP3 3506 71.953 78.996 32.056 1.00 0.00 WT1 H ATOM 12534 H2 TIP3 3506 70.855 77.963 31.917 1.00 0.00 WT1 H ATOM 12535 OH2 TIP3 3507 79.486 9.573 7.433 1.00 0.00 WT1 O ATOM 12536 H1 TIP3 3507 79.364 8.693 7.789 1.00 0.00 WT1 H ATOM 12537 H2 TIP3 3507 79.991 10.035 8.102 1.00 0.00 WT1 H ATOM 12538 OH2 TIP3 3508 28.735 41.164 -0.277 1.00 0.00 WT1 O ATOM 12539 H1 TIP3 3508 29.042 41.398 -1.153 1.00 0.00 WT1 H ATOM 12540 H2 TIP3 3508 28.089 40.473 -0.427 1.00 0.00 WT1 H ATOM 12541 OH2 TIP3 3509 49.500 58.782 54.177 1.00 0.00 WT1 O ATOM 12542 H1 TIP3 3509 48.661 59.061 54.543 1.00 0.00 WT1 H ATOM 12543 H2 TIP3 3509 49.344 58.727 53.234 1.00 0.00 WT1 H ATOM 12544 OH2 TIP3 3510 57.815 56.300 18.001 1.00 0.00 WT1 O ATOM 12545 H1 TIP3 3510 57.815 55.431 18.401 1.00 0.00 WT1 H ATOM 12546 H2 TIP3 3510 56.890 56.540 17.947 1.00 0.00 WT1 H ATOM 12547 OH2 TIP3 3511 53.885 75.177 -17.843 1.00 0.00 WT1 O ATOM 12548 H1 TIP3 3511 53.061 75.663 -17.880 1.00 0.00 WT1 H ATOM 12549 H2 TIP3 3511 54.009 74.984 -16.913 1.00 0.00 WT1 H ATOM 12550 OH2 TIP3 3512 74.737 51.058 -12.019 1.00 0.00 WT1 O ATOM 12551 H1 TIP3 3512 74.918 51.700 -11.333 1.00 0.00 WT1 H ATOM 12552 H2 TIP3 3512 74.548 51.584 -12.796 1.00 0.00 WT1 H ATOM 12553 OH2 TIP3 3513 48.420 78.866 0.870 1.00 0.00 WT1 O ATOM 12554 H1 TIP3 3513 48.724 78.767 1.772 1.00 0.00 WT1 H ATOM 12555 H2 TIP3 3513 47.485 78.662 0.907 1.00 0.00 WT1 H ATOM 12556 OH2 TIP3 3514 87.101 12.391 -9.276 1.00 0.00 WT1 O ATOM 12557 H1 TIP3 3514 86.433 12.222 -9.941 1.00 0.00 WT1 H ATOM 12558 H2 TIP3 3514 86.850 13.232 -8.893 1.00 0.00 WT1 H ATOM 12559 OH2 TIP3 3515 60.288 40.457 -7.980 1.00 0.00 WT1 O ATOM 12560 H1 TIP3 3515 59.779 40.799 -7.245 1.00 0.00 WT1 H ATOM 12561 H2 TIP3 3515 60.782 39.725 -7.611 1.00 0.00 WT1 H ATOM 12562 OH2 TIP3 3516 47.047 52.858 -1.663 1.00 0.00 WT1 O ATOM 12563 H1 TIP3 3516 47.911 53.258 -1.565 1.00 0.00 WT1 H ATOM 12564 H2 TIP3 3516 46.749 52.707 -0.766 1.00 0.00 WT1 H ATOM 12565 OH2 TIP3 3517 81.480 91.245 8.353 1.00 0.00 WT1 O ATOM 12566 H1 TIP3 3517 81.766 91.256 7.440 1.00 0.00 WT1 H ATOM 12567 H2 TIP3 3517 81.297 90.324 8.536 1.00 0.00 WT1 H ATOM 12568 OH2 TIP3 3518 32.698 47.781 16.696 1.00 0.00 WT1 O ATOM 12569 H1 TIP3 3518 32.460 47.198 17.417 1.00 0.00 WT1 H ATOM 12570 H2 TIP3 3518 33.532 48.165 16.963 1.00 0.00 WT1 H ATOM 12571 OH2 TIP3 3519 83.207 53.263 44.348 1.00 0.00 WT1 O ATOM 12572 H1 TIP3 3519 82.605 53.959 44.085 1.00 0.00 WT1 H ATOM 12573 H2 TIP3 3519 83.998 53.722 44.630 1.00 0.00 WT1 H ATOM 12574 OH2 TIP3 3520 33.340 73.324 53.855 1.00 0.00 WT1 O ATOM 12575 H1 TIP3 3520 33.635 74.233 53.796 1.00 0.00 WT1 H ATOM 12576 H2 TIP3 3520 32.746 73.216 53.112 1.00 0.00 WT1 H ATOM 12577 OH2 TIP3 3521 70.753 51.354 9.788 1.00 0.00 WT1 O ATOM 12578 H1 TIP3 3521 70.040 51.964 9.977 1.00 0.00 WT1 H ATOM 12579 H2 TIP3 3521 70.324 50.502 9.709 1.00 0.00 WT1 H ATOM 12580 OH2 TIP3 3522 51.782 86.719 35.113 1.00 0.00 WT1 O ATOM 12581 H1 TIP3 3522 52.114 86.785 34.217 1.00 0.00 WT1 H ATOM 12582 H2 TIP3 3522 51.120 86.029 35.074 1.00 0.00 WT1 H ATOM 12583 OH2 TIP3 3523 53.990 20.572 29.436 1.00 0.00 WT1 O ATOM 12584 H1 TIP3 3523 54.608 19.873 29.224 1.00 0.00 WT1 H ATOM 12585 H2 TIP3 3523 54.080 21.198 28.718 1.00 0.00 WT1 H ATOM 12586 OH2 TIP3 3524 42.165 64.676 -9.423 1.00 0.00 WT1 O ATOM 12587 H1 TIP3 3524 42.182 65.632 -9.466 1.00 0.00 WT1 H ATOM 12588 H2 TIP3 3524 41.262 64.463 -9.187 1.00 0.00 WT1 H ATOM 12589 OH2 TIP3 3526 35.671 9.519 17.775 1.00 0.00 WT1 O ATOM 12590 H1 TIP3 3526 35.123 10.057 18.347 1.00 0.00 WT1 H ATOM 12591 H2 TIP3 3526 35.330 9.680 16.896 1.00 0.00 WT1 H ATOM 12592 OH2 TIP3 3527 68.227 14.694 56.331 1.00 0.00 WT1 O ATOM 12593 H1 TIP3 3527 69.140 14.979 56.283 1.00 0.00 WT1 H ATOM 12594 H2 TIP3 3527 67.719 15.479 56.127 1.00 0.00 WT1 H ATOM 12595 OH2 TIP3 3528 79.236 59.224 19.850 1.00 0.00 WT1 O ATOM 12596 H1 TIP3 3528 79.290 59.812 20.604 1.00 0.00 WT1 H ATOM 12597 H2 TIP3 3528 78.808 58.438 20.189 1.00 0.00 WT1 H ATOM 12598 OH2 TIP3 3529 69.775 27.190 5.177 1.00 0.00 WT1 O ATOM 12599 H1 TIP3 3529 69.557 28.099 4.968 1.00 0.00 WT1 H ATOM 12600 H2 TIP3 3529 69.176 26.671 4.641 1.00 0.00 WT1 H ATOM 12601 OH2 TIP3 3530 45.577 9.541 40.372 1.00 0.00 WT1 O ATOM 12602 H1 TIP3 3530 46.180 9.153 39.738 1.00 0.00 WT1 H ATOM 12603 H2 TIP3 3530 45.801 10.471 40.379 1.00 0.00 WT1 H ATOM 12604 OH2 TIP3 3531 51.697 84.610 47.080 1.00 0.00 WT1 O ATOM 12605 H1 TIP3 3531 52.447 84.814 47.637 1.00 0.00 WT1 H ATOM 12606 H2 TIP3 3531 51.949 84.925 46.212 1.00 0.00 WT1 H ATOM 12607 OH2 TIP3 3533 60.767 2.810 53.719 1.00 0.00 WT1 O ATOM 12608 H1 TIP3 3533 59.870 2.998 53.996 1.00 0.00 WT1 H ATOM 12609 H2 TIP3 3533 61.310 3.381 54.262 1.00 0.00 WT1 H ATOM 12610 OH2 TIP3 3534 64.215 74.070 -0.182 1.00 0.00 WT1 O ATOM 12611 H1 TIP3 3534 64.000 74.943 -0.509 1.00 0.00 WT1 H ATOM 12612 H2 TIP3 3534 63.367 73.669 0.009 1.00 0.00 WT1 H ATOM 12613 OH2 TIP3 3535 47.064 91.449 16.333 1.00 0.00 WT1 O ATOM 12614 H1 TIP3 3535 47.685 91.874 15.742 1.00 0.00 WT1 H ATOM 12615 H2 TIP3 3535 47.322 90.527 16.331 1.00 0.00 WT1 H ATOM 12616 OH2 TIP3 3536 66.308 82.887 -12.925 1.00 0.00 WT1 O ATOM 12617 H1 TIP3 3536 66.505 82.475 -13.766 1.00 0.00 WT1 H ATOM 12618 H2 TIP3 3536 67.021 82.610 -12.349 1.00 0.00 WT1 H ATOM 12619 OH2 TIP3 3537 21.890 6.103 9.345 1.00 0.00 WT1 O ATOM 12620 H1 TIP3 3537 22.097 7.014 9.134 1.00 0.00 WT1 H ATOM 12621 H2 TIP3 3537 22.652 5.791 9.832 1.00 0.00 WT1 H ATOM 12622 OH2 TIP3 3538 24.620 75.341 5.922 1.00 0.00 WT1 O ATOM 12623 H1 TIP3 3538 24.755 76.265 5.713 1.00 0.00 WT1 H ATOM 12624 H2 TIP3 3538 25.272 75.150 6.596 1.00 0.00 WT1 H ATOM 12625 OH2 TIP3 3539 50.193 61.015 0.140 1.00 0.00 WT1 O ATOM 12626 H1 TIP3 3539 50.243 61.218 1.074 1.00 0.00 WT1 H ATOM 12627 H2 TIP3 3539 51.101 60.867 -0.123 1.00 0.00 WT1 H ATOM 12628 OH2 TIP3 3543 25.993 52.161 28.160 1.00 0.00 WT1 O ATOM 12629 H1 TIP3 3543 26.599 52.177 28.901 1.00 0.00 WT1 H ATOM 12630 H2 TIP3 3543 26.050 51.268 27.822 1.00 0.00 WT1 H ATOM 12631 OH2 TIP3 3544 52.176 77.576 25.959 1.00 0.00 WT1 O ATOM 12632 H1 TIP3 3544 51.509 76.955 26.252 1.00 0.00 WT1 H ATOM 12633 H2 TIP3 3544 52.821 77.036 25.503 1.00 0.00 WT1 H ATOM 12634 OH2 TIP3 3545 69.075 61.006 62.761 1.00 0.00 WT1 O ATOM 12635 H1 TIP3 3545 68.323 60.831 62.195 1.00 0.00 WT1 H ATOM 12636 H2 TIP3 3545 68.843 60.604 63.598 1.00 0.00 WT1 H ATOM 12637 OH2 TIP3 3546 47.773 93.036 61.293 1.00 0.00 WT1 O ATOM 12638 H1 TIP3 3546 47.649 92.723 60.397 1.00 0.00 WT1 H ATOM 12639 H2 TIP3 3546 46.928 92.888 61.718 1.00 0.00 WT1 H ATOM 12640 OH2 TIP3 3548 22.355 26.001 49.523 1.00 0.00 WT1 O ATOM 12641 H1 TIP3 3548 22.160 26.929 49.654 1.00 0.00 WT1 H ATOM 12642 H2 TIP3 3548 22.403 25.639 50.408 1.00 0.00 WT1 H ATOM 12643 OH2 TIP3 3549 27.344 17.844 42.517 1.00 0.00 WT1 O ATOM 12644 H1 TIP3 3549 27.936 18.482 42.118 1.00 0.00 WT1 H ATOM 12645 H2 TIP3 3549 26.780 17.558 41.799 1.00 0.00 WT1 H ATOM 12646 OH2 TIP3 3550 45.444 43.412 41.146 1.00 0.00 WT1 O ATOM 12647 H1 TIP3 3550 44.895 44.048 40.687 1.00 0.00 WT1 H ATOM 12648 H2 TIP3 3550 44.955 42.591 41.095 1.00 0.00 WT1 H ATOM 12649 OH2 TIP3 3551 20.738 89.644 58.424 1.00 0.00 WT1 O ATOM 12650 H1 TIP3 3551 19.981 89.405 58.960 1.00 0.00 WT1 H ATOM 12651 H2 TIP3 3551 21.336 90.076 59.033 1.00 0.00 WT1 H ATOM 12652 OH2 TIP3 3552 33.569 77.428 0.285 1.00 0.00 WT1 O ATOM 12653 H1 TIP3 3552 34.501 77.248 0.410 1.00 0.00 WT1 H ATOM 12654 H2 TIP3 3552 33.198 76.589 0.011 1.00 0.00 WT1 H ATOM 12655 OH2 TIP3 3554 55.853 21.717 5.226 1.00 0.00 WT1 O ATOM 12656 H1 TIP3 3554 56.335 22.539 5.314 1.00 0.00 WT1 H ATOM 12657 H2 TIP3 3554 55.148 21.782 5.870 1.00 0.00 WT1 H ATOM 12658 OH2 TIP3 3555 45.423 73.263 -13.219 1.00 0.00 WT1 O ATOM 12659 H1 TIP3 3555 45.815 73.174 -14.088 1.00 0.00 WT1 H ATOM 12660 H2 TIP3 3555 44.480 73.269 -13.381 1.00 0.00 WT1 H ATOM 12661 OH2 TIP3 3556 68.758 75.571 0.020 1.00 0.00 WT1 O ATOM 12662 H1 TIP3 3556 68.102 75.594 -0.678 1.00 0.00 WT1 H ATOM 12663 H2 TIP3 3556 68.722 74.675 0.354 1.00 0.00 WT1 H ATOM 12664 OH2 TIP3 3557 21.258 24.209 -12.332 1.00 0.00 WT1 O ATOM 12665 H1 TIP3 3557 21.604 24.135 -11.443 1.00 0.00 WT1 H ATOM 12666 H2 TIP3 3557 22.006 24.014 -12.898 1.00 0.00 WT1 H ATOM 12667 OH2 TIP3 3558 72.849 32.849 15.199 1.00 0.00 WT1 O ATOM 12668 H1 TIP3 3558 72.127 33.462 15.057 1.00 0.00 WT1 H ATOM 12669 H2 TIP3 3558 72.422 32.030 15.452 1.00 0.00 WT1 H ATOM 12670 OH2 TIP3 3559 47.166 39.441 60.171 1.00 0.00 WT1 O ATOM 12671 H1 TIP3 3559 47.220 40.078 59.459 1.00 0.00 WT1 H ATOM 12672 H2 TIP3 3559 46.574 38.764 59.843 1.00 0.00 WT1 H ATOM 12673 OH2 TIP3 3560 44.512 10.937 56.515 1.00 0.00 WT1 O ATOM 12674 H1 TIP3 3560 43.742 10.987 57.081 1.00 0.00 WT1 H ATOM 12675 H2 TIP3 3560 45.029 11.709 56.743 1.00 0.00 WT1 H ATOM 12676 OH2 TIP3 3561 31.032 5.322 -4.018 1.00 0.00 WT1 O ATOM 12677 H1 TIP3 3561 31.525 4.802 -3.382 1.00 0.00 WT1 H ATOM 12678 H2 TIP3 3561 31.076 6.217 -3.681 1.00 0.00 WT1 H ATOM 12679 OH2 TIP3 3562 26.374 19.311 56.120 1.00 0.00 WT1 O ATOM 12680 H1 TIP3 3562 25.782 18.815 55.555 1.00 0.00 WT1 H ATOM 12681 H2 TIP3 3562 27.189 19.369 55.623 1.00 0.00 WT1 H ATOM 12682 OH2 TIP3 3563 47.993 5.033 46.520 1.00 0.00 WT1 O ATOM 12683 H1 TIP3 3563 48.049 4.344 47.182 1.00 0.00 WT1 H ATOM 12684 H2 TIP3 3563 48.359 4.637 45.729 1.00 0.00 WT1 H ATOM 12685 OH2 TIP3 3564 65.369 79.426 19.015 1.00 0.00 WT1 O ATOM 12686 H1 TIP3 3564 65.527 78.582 19.440 1.00 0.00 WT1 H ATOM 12687 H2 TIP3 3564 64.966 79.965 19.696 1.00 0.00 WT1 H ATOM 12688 OH2 TIP3 3566 69.594 30.406 40.125 1.00 0.00 WT1 O ATOM 12689 H1 TIP3 3566 68.843 30.914 40.432 1.00 0.00 WT1 H ATOM 12690 H2 TIP3 3566 69.208 29.639 39.702 1.00 0.00 WT1 H ATOM 12691 OH2 TIP3 3567 59.854 81.025 -18.704 1.00 0.00 WT1 O ATOM 12692 H1 TIP3 3567 60.513 80.525 -19.185 1.00 0.00 WT1 H ATOM 12693 H2 TIP3 3567 59.181 80.381 -18.479 1.00 0.00 WT1 H ATOM 12694 OH2 TIP3 3568 26.103 82.001 32.501 1.00 0.00 WT1 O ATOM 12695 H1 TIP3 3568 25.465 81.354 32.199 1.00 0.00 WT1 H ATOM 12696 H2 TIP3 3568 25.665 82.844 32.380 1.00 0.00 WT1 H ATOM 12697 OH2 TIP3 3569 72.187 29.107 25.041 1.00 0.00 WT1 O ATOM 12698 H1 TIP3 3569 72.282 28.366 25.641 1.00 0.00 WT1 H ATOM 12699 H2 TIP3 3569 71.832 28.722 24.240 1.00 0.00 WT1 H ATOM 12700 OH2 TIP3 3570 45.848 92.597 52.863 1.00 0.00 WT1 O ATOM 12701 H1 TIP3 3570 46.507 93.290 52.828 1.00 0.00 WT1 H ATOM 12702 H2 TIP3 3570 46.345 91.787 52.751 1.00 0.00 WT1 H ATOM 12703 OH2 TIP3 3571 52.026 39.746 -9.506 1.00 0.00 WT1 O ATOM 12704 H1 TIP3 3571 52.058 38.851 -9.169 1.00 0.00 WT1 H ATOM 12705 H2 TIP3 3571 51.800 40.281 -8.745 1.00 0.00 WT1 H ATOM 12706 OH2 TIP3 3572 51.091 28.767 34.496 1.00 0.00 WT1 O ATOM 12707 H1 TIP3 3572 50.836 29.133 33.649 1.00 0.00 WT1 H ATOM 12708 H2 TIP3 3572 50.437 29.101 35.109 1.00 0.00 WT1 H ATOM 12709 OH2 TIP3 3573 65.140 86.230 64.947 1.00 0.00 WT1 O ATOM 12710 H1 TIP3 3573 64.745 85.366 64.832 1.00 0.00 WT1 H ATOM 12711 H2 TIP3 3573 66.079 86.082 64.832 1.00 0.00 WT1 H ATOM 12712 OH2 TIP3 3574 29.678 28.639 -18.338 1.00 0.00 WT1 O ATOM 12713 H1 TIP3 3574 29.497 29.301 -17.671 1.00 0.00 WT1 H ATOM 12714 H2 TIP3 3574 29.762 29.135 -19.152 1.00 0.00 WT1 H ATOM 12715 OH2 TIP3 3575 48.632 77.201 46.585 1.00 0.00 WT1 O ATOM 12716 H1 TIP3 3575 49.281 76.570 46.274 1.00 0.00 WT1 H ATOM 12717 H2 TIP3 3575 47.806 76.904 46.203 1.00 0.00 WT1 H ATOM 12718 OH2 TIP3 3576 62.134 30.745 4.454 1.00 0.00 WT1 O ATOM 12719 H1 TIP3 3576 61.906 29.862 4.745 1.00 0.00 WT1 H ATOM 12720 H2 TIP3 3576 61.318 31.100 4.103 1.00 0.00 WT1 H ATOM 12721 OH2 TIP3 3578 71.112 77.338 -16.478 1.00 0.00 WT1 O ATOM 12722 H1 TIP3 3578 71.918 76.980 -16.851 1.00 0.00 WT1 H ATOM 12723 H2 TIP3 3578 70.588 76.569 -16.255 1.00 0.00 WT1 H ATOM 12724 OH2 TIP3 3579 35.948 64.652 16.285 1.00 0.00 WT1 O ATOM 12725 H1 TIP3 3579 36.801 64.277 16.064 1.00 0.00 WT1 H ATOM 12726 H2 TIP3 3579 36.132 65.263 16.998 1.00 0.00 WT1 H ATOM 12727 OH2 TIP3 3582 88.671 87.706 -16.117 1.00 0.00 WT1 O ATOM 12728 H1 TIP3 3582 88.953 88.170 -15.329 1.00 0.00 WT1 H ATOM 12729 H2 TIP3 3582 89.484 87.404 -16.522 1.00 0.00 WT1 H ATOM 12730 OH2 TIP3 3583 66.291 21.001 28.118 1.00 0.00 WT1 O ATOM 12731 H1 TIP3 3583 66.069 21.872 27.787 1.00 0.00 WT1 H ATOM 12732 H2 TIP3 3583 67.241 21.026 28.239 1.00 0.00 WT1 H ATOM 12733 OH2 TIP3 3585 58.444 21.871 -6.219 1.00 0.00 WT1 O ATOM 12734 H1 TIP3 3585 57.782 22.470 -6.564 1.00 0.00 WT1 H ATOM 12735 H2 TIP3 3585 58.937 22.395 -5.587 1.00 0.00 WT1 H ATOM 12736 OH2 TIP3 3586 82.911 65.557 1.988 1.00 0.00 WT1 O ATOM 12737 H1 TIP3 3586 82.520 65.058 1.271 1.00 0.00 WT1 H ATOM 12738 H2 TIP3 3586 83.766 65.827 1.655 1.00 0.00 WT1 H ATOM 12739 OH2 TIP3 3587 68.111 70.055 40.904 1.00 0.00 WT1 O ATOM 12740 H1 TIP3 3587 68.046 69.501 40.126 1.00 0.00 WT1 H ATOM 12741 H2 TIP3 3587 68.370 69.455 41.604 1.00 0.00 WT1 H ATOM 12742 OH2 TIP3 3588 47.981 1.252 14.637 1.00 0.00 WT1 O ATOM 12743 H1 TIP3 3588 48.725 1.777 14.933 1.00 0.00 WT1 H ATOM 12744 H2 TIP3 3588 47.878 0.580 15.311 1.00 0.00 WT1 H ATOM 12745 OH2 TIP3 3589 53.926 81.442 -6.615 1.00 0.00 WT1 O ATOM 12746 H1 TIP3 3589 54.269 80.812 -5.981 1.00 0.00 WT1 H ATOM 12747 H2 TIP3 3589 53.459 80.907 -7.256 1.00 0.00 WT1 H ATOM 12748 OH2 TIP3 3590 43.571 32.450 61.934 1.00 0.00 WT1 O ATOM 12749 H1 TIP3 3590 44.443 32.844 61.901 1.00 0.00 WT1 H ATOM 12750 H2 TIP3 3590 43.681 31.669 62.477 1.00 0.00 WT1 H ATOM 12751 OH2 TIP3 3591 56.793 38.781 -13.720 1.00 0.00 WT1 O ATOM 12752 H1 TIP3 3591 56.035 38.809 -13.136 1.00 0.00 WT1 H ATOM 12753 H2 TIP3 3591 57.474 38.343 -13.209 1.00 0.00 WT1 H ATOM 12754 OH2 TIP3 3592 21.230 0.201 -19.320 1.00 0.00 WT1 O ATOM 12755 H1 TIP3 3592 21.594 0.520 -18.495 1.00 0.00 WT1 H ATOM 12756 H2 TIP3 3592 20.831 0.973 -19.722 1.00 0.00 WT1 H ATOM 12757 OH2 TIP3 3593 58.972 90.391 51.871 1.00 0.00 WT1 O ATOM 12758 H1 TIP3 3593 59.015 89.440 51.769 1.00 0.00 WT1 H ATOM 12759 H2 TIP3 3593 59.262 90.736 51.027 1.00 0.00 WT1 H ATOM 12760 OH2 TIP3 3594 63.260 79.721 8.289 1.00 0.00 WT1 O ATOM 12761 H1 TIP3 3594 62.501 79.269 7.921 1.00 0.00 WT1 H ATOM 12762 H2 TIP3 3594 63.858 79.019 8.544 1.00 0.00 WT1 H ATOM 12763 OH2 TIP3 3595 66.395 11.550 14.403 1.00 0.00 WT1 O ATOM 12764 H1 TIP3 3595 67.143 12.101 14.632 1.00 0.00 WT1 H ATOM 12765 H2 TIP3 3595 65.898 11.469 15.217 1.00 0.00 WT1 H ATOM 12766 OH2 TIP3 3596 32.913 22.862 -10.125 1.00 0.00 WT1 O ATOM 12767 H1 TIP3 3596 32.798 23.577 -9.499 1.00 0.00 WT1 H ATOM 12768 H2 TIP3 3596 33.224 23.288 -10.923 1.00 0.00 WT1 H ATOM 12769 OH2 TIP3 3597 60.526 85.500 6.455 1.00 0.00 WT1 O ATOM 12770 H1 TIP3 3597 59.755 84.933 6.474 1.00 0.00 WT1 H ATOM 12771 H2 TIP3 3597 60.319 86.206 7.068 1.00 0.00 WT1 H ATOM 12772 OH2 TIP3 3598 21.344 93.184 15.939 1.00 0.00 WT1 O ATOM 12773 H1 TIP3 3598 22.036 92.611 16.269 1.00 0.00 WT1 H ATOM 12774 H2 TIP3 3598 21.205 93.820 16.640 1.00 0.00 WT1 H ATOM 12775 OH2 TIP3 3599 61.715 9.219 -7.072 1.00 0.00 WT1 O ATOM 12776 H1 TIP3 3599 62.212 9.132 -6.259 1.00 0.00 WT1 H ATOM 12777 H2 TIP3 3599 60.873 8.805 -6.883 1.00 0.00 WT1 H ATOM 12778 OH2 TIP3 3602 30.850 89.357 7.806 1.00 0.00 WT1 O ATOM 12779 H1 TIP3 3602 31.154 89.406 8.713 1.00 0.00 WT1 H ATOM 12780 H2 TIP3 3602 29.975 89.745 7.826 1.00 0.00 WT1 H ATOM 12781 OH2 TIP3 3603 46.426 89.612 -13.641 1.00 0.00 WT1 O ATOM 12782 H1 TIP3 3603 45.785 90.243 -13.317 1.00 0.00 WT1 H ATOM 12783 H2 TIP3 3603 47.100 90.147 -14.060 1.00 0.00 WT1 H ATOM 12784 OH2 TIP3 3604 86.990 92.427 10.529 1.00 0.00 WT1 O ATOM 12785 H1 TIP3 3604 86.273 91.793 10.559 1.00 0.00 WT1 H ATOM 12786 H2 TIP3 3604 86.799 93.039 11.239 1.00 0.00 WT1 H ATOM 12787 OH2 TIP3 3606 69.421 77.108 46.641 1.00 0.00 WT1 O ATOM 12788 H1 TIP3 3606 69.556 76.507 45.909 1.00 0.00 WT1 H ATOM 12789 H2 TIP3 3606 69.748 76.634 47.405 1.00 0.00 WT1 H ATOM 12790 OH2 TIP3 3607 32.984 61.957 30.447 1.00 0.00 WT1 O ATOM 12791 H1 TIP3 3607 33.877 61.769 30.735 1.00 0.00 WT1 H ATOM 12792 H2 TIP3 3607 33.031 62.841 30.081 1.00 0.00 WT1 H ATOM 12793 OH2 TIP3 3608 38.929 90.984 36.989 1.00 0.00 WT1 O ATOM 12794 H1 TIP3 3608 39.026 90.032 36.971 1.00 0.00 WT1 H ATOM 12795 H2 TIP3 3608 39.717 91.313 36.556 1.00 0.00 WT1 H ATOM 12796 OH2 TIP3 3609 68.838 7.453 20.932 1.00 0.00 WT1 O ATOM 12797 H1 TIP3 3609 69.137 6.570 21.152 1.00 0.00 WT1 H ATOM 12798 H2 TIP3 3609 69.404 7.725 20.209 1.00 0.00 WT1 H ATOM 12799 OH2 TIP3 3610 62.653 53.369 -1.652 1.00 0.00 WT1 O ATOM 12800 H1 TIP3 3610 61.848 53.219 -1.155 1.00 0.00 WT1 H ATOM 12801 H2 TIP3 3610 63.076 54.103 -1.207 1.00 0.00 WT1 H ATOM 12802 OH2 TIP3 3611 29.500 45.922 30.446 1.00 0.00 WT1 O ATOM 12803 H1 TIP3 3611 30.067 45.579 31.137 1.00 0.00 WT1 H ATOM 12804 H2 TIP3 3611 28.720 45.368 30.477 1.00 0.00 WT1 H ATOM 12805 OH2 TIP3 3612 45.840 16.265 36.310 1.00 0.00 WT1 O ATOM 12806 H1 TIP3 3612 45.675 17.123 35.920 1.00 0.00 WT1 H ATOM 12807 H2 TIP3 3612 46.409 16.446 37.058 1.00 0.00 WT1 H ATOM 12808 OH2 TIP3 3613 24.758 66.228 57.383 1.00 0.00 WT1 O ATOM 12809 H1 TIP3 3613 24.336 66.852 56.793 1.00 0.00 WT1 H ATOM 12810 H2 TIP3 3613 25.646 66.134 57.038 1.00 0.00 WT1 H ATOM 12811 OH2 TIP3 3614 84.416 26.600 0.304 1.00 0.00 WT1 O ATOM 12812 H1 TIP3 3614 83.500 26.322 0.310 1.00 0.00 WT1 H ATOM 12813 H2 TIP3 3614 84.576 26.884 -0.596 1.00 0.00 WT1 H ATOM 12814 OH2 TIP3 3615 38.991 46.539 4.576 1.00 0.00 WT1 O ATOM 12815 H1 TIP3 3615 39.254 46.795 3.692 1.00 0.00 WT1 H ATOM 12816 H2 TIP3 3615 38.523 45.712 4.457 1.00 0.00 WT1 H ATOM 12817 OH2 TIP3 3616 62.592 78.318 15.409 1.00 0.00 WT1 O ATOM 12818 H1 TIP3 3616 62.735 78.728 16.262 1.00 0.00 WT1 H ATOM 12819 H2 TIP3 3616 62.174 77.481 15.612 1.00 0.00 WT1 H ATOM 12820 OH2 TIP3 3618 31.765 7.091 2.637 1.00 0.00 WT1 O ATOM 12821 H1 TIP3 3618 30.871 6.960 2.323 1.00 0.00 WT1 H ATOM 12822 H2 TIP3 3618 31.714 7.869 3.192 1.00 0.00 WT1 H ATOM 12823 OH2 TIP3 3619 81.507 2.945 -12.548 1.00 0.00 WT1 O ATOM 12824 H1 TIP3 3619 82.039 2.274 -12.121 1.00 0.00 WT1 H ATOM 12825 H2 TIP3 3619 80.609 2.741 -12.289 1.00 0.00 WT1 H ATOM 12826 OH2 TIP3 3620 68.284 57.524 5.081 1.00 0.00 WT1 O ATOM 12827 H1 TIP3 3620 68.759 57.968 5.783 1.00 0.00 WT1 H ATOM 12828 H2 TIP3 3620 68.369 56.593 5.285 1.00 0.00 WT1 H ATOM 12829 OH2 TIP3 3621 30.952 96.154 35.950 1.00 0.00 WT1 O ATOM 12830 H1 TIP3 3621 30.336 95.440 36.118 1.00 0.00 WT1 H ATOM 12831 H2 TIP3 3621 31.754 95.890 36.400 1.00 0.00 WT1 H ATOM 12832 OH2 TIP3 3622 37.795 53.316 8.235 1.00 0.00 WT1 O ATOM 12833 H1 TIP3 3622 37.399 52.541 7.838 1.00 0.00 WT1 H ATOM 12834 H2 TIP3 3622 38.736 53.202 8.097 1.00 0.00 WT1 H ATOM 12835 OH2 TIP3 3623 67.205 67.235 64.141 1.00 0.00 WT1 O ATOM 12836 H1 TIP3 3623 68.032 67.394 64.594 1.00 0.00 WT1 H ATOM 12837 H2 TIP3 3623 67.170 67.909 63.462 1.00 0.00 WT1 H ATOM 12838 OH2 TIP3 3626 39.129 42.701 6.434 1.00 0.00 WT1 O ATOM 12839 H1 TIP3 3626 39.235 43.490 6.964 1.00 0.00 WT1 H ATOM 12840 H2 TIP3 3626 39.121 43.017 5.531 1.00 0.00 WT1 H ATOM 12841 OH2 TIP3 3627 50.299 40.134 12.150 1.00 0.00 WT1 O ATOM 12842 H1 TIP3 3627 49.477 40.621 12.092 1.00 0.00 WT1 H ATOM 12843 H2 TIP3 3627 50.457 40.041 13.089 1.00 0.00 WT1 H ATOM 12844 OH2 TIP3 3629 67.716 31.627 -16.817 1.00 0.00 WT1 O ATOM 12845 H1 TIP3 3629 67.408 30.962 -16.201 1.00 0.00 WT1 H ATOM 12846 H2 TIP3 3629 66.918 32.055 -17.127 1.00 0.00 WT1 H ATOM 12847 OH2 TIP3 3630 29.969 94.029 65.546 1.00 0.00 WT1 O ATOM 12848 H1 TIP3 3630 30.440 93.267 65.881 1.00 0.00 WT1 H ATOM 12849 H2 TIP3 3630 29.064 93.895 65.827 1.00 0.00 WT1 H ATOM 12850 OH2 TIP3 3631 25.435 76.917 28.675 1.00 0.00 WT1 O ATOM 12851 H1 TIP3 3631 24.899 77.233 29.403 1.00 0.00 WT1 H ATOM 12852 H2 TIP3 3631 24.961 76.155 28.342 1.00 0.00 WT1 H ATOM 12853 OH2 TIP3 3632 28.399 32.055 19.136 1.00 0.00 WT1 O ATOM 12854 H1 TIP3 3632 28.145 32.965 18.985 1.00 0.00 WT1 H ATOM 12855 H2 TIP3 3632 29.334 32.030 18.933 1.00 0.00 WT1 H ATOM 12856 OH2 TIP3 3633 74.888 91.509 60.502 1.00 0.00 WT1 O ATOM 12857 H1 TIP3 3633 74.140 90.915 60.560 1.00 0.00 WT1 H ATOM 12858 H2 TIP3 3633 74.530 92.368 60.726 1.00 0.00 WT1 H ATOM 12859 OH2 TIP3 3634 68.028 80.153 31.285 1.00 0.00 WT1 O ATOM 12860 H1 TIP3 3634 67.242 80.679 31.134 1.00 0.00 WT1 H ATOM 12861 H2 TIP3 3634 68.402 80.026 30.413 1.00 0.00 WT1 H ATOM 12862 OH2 TIP3 3635 71.569 70.107 -9.743 1.00 0.00 WT1 O ATOM 12863 H1 TIP3 3635 71.391 71.035 -9.896 1.00 0.00 WT1 H ATOM 12864 H2 TIP3 3635 71.367 69.974 -8.816 1.00 0.00 WT1 H ATOM 12865 OH2 TIP3 3636 84.057 27.990 35.211 1.00 0.00 WT1 O ATOM 12866 H1 TIP3 3636 83.168 27.950 35.564 1.00 0.00 WT1 H ATOM 12867 H2 TIP3 3636 84.140 28.881 34.871 1.00 0.00 WT1 H ATOM 12868 OH2 TIP3 3637 26.438 95.104 -17.079 1.00 0.00 WT1 O ATOM 12869 H1 TIP3 3637 25.810 95.472 -17.701 1.00 0.00 WT1 H ATOM 12870 H2 TIP3 3637 27.293 95.370 -17.416 1.00 0.00 WT1 H ATOM 12871 OH2 TIP3 3638 52.482 43.108 36.890 1.00 0.00 WT1 O ATOM 12872 H1 TIP3 3638 52.445 44.033 36.647 1.00 0.00 WT1 H ATOM 12873 H2 TIP3 3638 52.178 42.642 36.111 1.00 0.00 WT1 H ATOM 12874 OH2 TIP3 3639 45.003 90.689 36.983 1.00 0.00 WT1 O ATOM 12875 H1 TIP3 3639 44.797 89.762 37.105 1.00 0.00 WT1 H ATOM 12876 H2 TIP3 3639 44.816 90.857 36.059 1.00 0.00 WT1 H ATOM 12877 OH2 TIP3 3640 72.743 1.080 -3.271 1.00 0.00 WT1 O ATOM 12878 H1 TIP3 3640 73.207 0.949 -4.098 1.00 0.00 WT1 H ATOM 12879 H2 TIP3 3640 72.867 0.260 -2.793 1.00 0.00 WT1 H ATOM 12880 OH2 TIP3 3641 66.782 73.416 28.126 1.00 0.00 WT1 O ATOM 12881 H1 TIP3 3641 65.965 72.927 28.021 1.00 0.00 WT1 H ATOM 12882 H2 TIP3 3641 66.517 74.242 28.530 1.00 0.00 WT1 H ATOM 12883 OH2 TIP3 3642 50.418 82.219 21.052 1.00 0.00 WT1 O ATOM 12884 H1 TIP3 3642 50.040 83.065 20.809 1.00 0.00 WT1 H ATOM 12885 H2 TIP3 3642 50.582 82.291 21.992 1.00 0.00 WT1 H ATOM 12886 OH2 TIP3 3643 64.764 4.708 60.670 1.00 0.00 WT1 O ATOM 12887 H1 TIP3 3643 65.130 4.588 59.793 1.00 0.00 WT1 H ATOM 12888 H2 TIP3 3643 65.265 5.434 61.041 1.00 0.00 WT1 H ATOM 12889 OH2 TIP3 3646 36.710 7.717 33.386 1.00 0.00 WT1 O ATOM 12890 H1 TIP3 3646 35.959 8.180 33.759 1.00 0.00 WT1 H ATOM 12891 H2 TIP3 3646 36.548 7.719 32.443 1.00 0.00 WT1 H ATOM 12892 OH2 TIP3 3647 49.426 12.967 37.875 1.00 0.00 WT1 O ATOM 12893 H1 TIP3 3647 48.853 13.542 38.383 1.00 0.00 WT1 H ATOM 12894 H2 TIP3 3647 49.093 12.086 38.046 1.00 0.00 WT1 H ATOM 12895 OH2 TIP3 3648 52.230 84.745 13.723 1.00 0.00 WT1 O ATOM 12896 H1 TIP3 3648 53.041 84.950 14.190 1.00 0.00 WT1 H ATOM 12897 H2 TIP3 3648 52.161 83.792 13.769 1.00 0.00 WT1 H ATOM 12898 OH2 TIP3 3649 35.342 26.963 56.288 1.00 0.00 WT1 O ATOM 12899 H1 TIP3 3649 35.043 27.857 56.453 1.00 0.00 WT1 H ATOM 12900 H2 TIP3 3649 36.297 27.025 56.287 1.00 0.00 WT1 H ATOM 12901 OH2 TIP3 3650 30.476 77.054 45.962 1.00 0.00 WT1 O ATOM 12902 H1 TIP3 3650 30.061 76.389 45.413 1.00 0.00 WT1 H ATOM 12903 H2 TIP3 3650 30.070 77.877 45.691 1.00 0.00 WT1 H ATOM 12904 OH2 TIP3 3651 28.987 17.253 61.771 1.00 0.00 WT1 O ATOM 12905 H1 TIP3 3651 29.925 17.133 61.620 1.00 0.00 WT1 H ATOM 12906 H2 TIP3 3651 28.874 17.098 62.709 1.00 0.00 WT1 H ATOM 12907 OH2 TIP3 3652 36.373 14.557 43.465 1.00 0.00 WT1 O ATOM 12908 H1 TIP3 3652 36.133 14.714 42.552 1.00 0.00 WT1 H ATOM 12909 H2 TIP3 3652 36.788 13.695 43.459 1.00 0.00 WT1 H ATOM 12910 OH2 TIP3 3653 57.445 5.914 -12.355 1.00 0.00 WT1 O ATOM 12911 H1 TIP3 3653 57.819 5.422 -13.086 1.00 0.00 WT1 H ATOM 12912 H2 TIP3 3653 58.203 6.291 -11.907 1.00 0.00 WT1 H ATOM 12913 OH2 TIP3 3654 80.423 8.695 -11.276 1.00 0.00 WT1 O ATOM 12914 H1 TIP3 3654 80.637 7.763 -11.237 1.00 0.00 WT1 H ATOM 12915 H2 TIP3 3654 81.206 9.135 -10.942 1.00 0.00 WT1 H ATOM 12916 OH2 TIP3 3655 37.963 43.666 43.523 1.00 0.00 WT1 O ATOM 12917 H1 TIP3 3655 38.298 44.079 44.319 1.00 0.00 WT1 H ATOM 12918 H2 TIP3 3655 37.015 43.629 43.653 1.00 0.00 WT1 H ATOM 12919 OH2 TIP3 3656 65.275 86.590 48.771 1.00 0.00 WT1 O ATOM 12920 H1 TIP3 3656 64.905 87.121 48.066 1.00 0.00 WT1 H ATOM 12921 H2 TIP3 3656 65.868 85.983 48.327 1.00 0.00 WT1 H ATOM 12922 OH2 TIP3 3657 32.867 11.745 56.371 1.00 0.00 WT1 O ATOM 12923 H1 TIP3 3657 33.196 12.150 55.568 1.00 0.00 WT1 H ATOM 12924 H2 TIP3 3657 31.937 11.970 56.389 1.00 0.00 WT1 H ATOM 12925 OH2 TIP3 3658 62.299 90.639 18.858 1.00 0.00 WT1 O ATOM 12926 H1 TIP3 3658 62.485 90.250 19.712 1.00 0.00 WT1 H ATOM 12927 H2 TIP3 3658 62.681 90.028 18.228 1.00 0.00 WT1 H ATOM 12928 OH2 TIP3 3659 90.216 75.487 38.304 1.00 0.00 WT1 O ATOM 12929 H1 TIP3 3659 89.345 75.201 38.581 1.00 0.00 WT1 H ATOM 12930 H2 TIP3 3659 90.569 75.952 39.063 1.00 0.00 WT1 H ATOM 12931 OH2 TIP3 3660 26.534 62.268 -14.511 1.00 0.00 WT1 O ATOM 12932 H1 TIP3 3660 26.421 61.517 -15.094 1.00 0.00 WT1 H ATOM 12933 H2 TIP3 3660 27.398 62.616 -14.732 1.00 0.00 WT1 H ATOM 12934 OH2 TIP3 3661 36.972 14.388 29.994 1.00 0.00 WT1 O ATOM 12935 H1 TIP3 3661 36.994 13.446 29.825 1.00 0.00 WT1 H ATOM 12936 H2 TIP3 3661 36.970 14.788 29.125 1.00 0.00 WT1 H ATOM 12937 OH2 TIP3 3662 22.569 4.908 34.761 1.00 0.00 WT1 O ATOM 12938 H1 TIP3 3662 23.300 4.291 34.752 1.00 0.00 WT1 H ATOM 12939 H2 TIP3 3662 22.833 5.603 34.158 1.00 0.00 WT1 H ATOM 12940 OH2 TIP3 3663 58.015 12.073 48.609 1.00 0.00 WT1 O ATOM 12941 H1 TIP3 3663 58.729 12.285 48.006 1.00 0.00 WT1 H ATOM 12942 H2 TIP3 3663 57.954 12.835 49.185 1.00 0.00 WT1 H ATOM 12943 OH2 TIP3 3664 34.185 6.975 15.244 1.00 0.00 WT1 O ATOM 12944 H1 TIP3 3664 33.949 6.689 16.127 1.00 0.00 WT1 H ATOM 12945 H2 TIP3 3664 33.618 6.463 14.667 1.00 0.00 WT1 H ATOM 12946 OH2 TIP3 3665 53.595 43.115 49.464 1.00 0.00 WT1 O ATOM 12947 H1 TIP3 3665 54.029 43.409 50.265 1.00 0.00 WT1 H ATOM 12948 H2 TIP3 3665 52.729 42.827 49.752 1.00 0.00 WT1 H ATOM 12949 OH2 TIP3 3666 87.055 29.553 -7.295 1.00 0.00 WT1 O ATOM 12950 H1 TIP3 3666 86.353 30.150 -7.037 1.00 0.00 WT1 H ATOM 12951 H2 TIP3 3666 86.724 29.120 -8.081 1.00 0.00 WT1 H ATOM 12952 OH2 TIP3 3668 87.353 8.932 6.697 1.00 0.00 WT1 O ATOM 12953 H1 TIP3 3668 86.909 8.530 5.950 1.00 0.00 WT1 H ATOM 12954 H2 TIP3 3668 87.445 9.853 6.455 1.00 0.00 WT1 H ATOM 12955 OH2 TIP3 3669 77.139 88.964 1.481 1.00 0.00 WT1 O ATOM 12956 H1 TIP3 3669 76.847 89.875 1.452 1.00 0.00 WT1 H ATOM 12957 H2 TIP3 3669 76.428 88.498 1.923 1.00 0.00 WT1 H ATOM 12958 OH2 TIP3 3670 87.783 93.921 45.946 1.00 0.00 WT1 O ATOM 12959 H1 TIP3 3670 87.644 94.836 45.702 1.00 0.00 WT1 H ATOM 12960 H2 TIP3 3670 87.108 93.743 46.601 1.00 0.00 WT1 H ATOM 12961 OH2 TIP3 3672 47.899 20.835 35.296 1.00 0.00 WT1 O ATOM 12962 H1 TIP3 3672 47.571 20.980 34.409 1.00 0.00 WT1 H ATOM 12963 H2 TIP3 3672 48.851 20.886 35.212 1.00 0.00 WT1 H ATOM 12964 OH2 TIP3 3673 84.905 79.101 -10.288 1.00 0.00 WT1 O ATOM 12965 H1 TIP3 3673 85.406 79.908 -10.405 1.00 0.00 WT1 H ATOM 12966 H2 TIP3 3673 84.571 79.154 -9.393 1.00 0.00 WT1 H ATOM 12967 OH2 TIP3 3674 50.757 79.610 11.275 1.00 0.00 WT1 O ATOM 12968 H1 TIP3 3674 50.746 79.038 12.042 1.00 0.00 WT1 H ATOM 12969 H2 TIP3 3674 50.752 79.010 10.529 1.00 0.00 WT1 H ATOM 12970 OH2 TIP3 3675 83.382 6.023 57.684 1.00 0.00 WT1 O ATOM 12971 H1 TIP3 3675 82.497 5.766 57.424 1.00 0.00 WT1 H ATOM 12972 H2 TIP3 3675 83.324 6.158 58.630 1.00 0.00 WT1 H ATOM 12973 OH2 TIP3 3676 63.022 11.647 4.702 1.00 0.00 WT1 O ATOM 12974 H1 TIP3 3676 62.228 11.903 4.233 1.00 0.00 WT1 H ATOM 12975 H2 TIP3 3676 63.357 12.464 5.071 1.00 0.00 WT1 H ATOM 12976 OH2 TIP3 3677 77.591 27.048 47.575 1.00 0.00 WT1 O ATOM 12977 H1 TIP3 3677 76.947 27.552 48.073 1.00 0.00 WT1 H ATOM 12978 H2 TIP3 3677 77.600 27.458 46.710 1.00 0.00 WT1 H ATOM 12979 OH2 TIP3 3678 74.463 22.997 -0.797 1.00 0.00 WT1 O ATOM 12980 H1 TIP3 3678 74.869 23.415 -1.556 1.00 0.00 WT1 H ATOM 12981 H2 TIP3 3678 75.149 22.995 -0.129 1.00 0.00 WT1 H ATOM 12982 OH2 TIP3 3679 67.945 93.511 31.768 1.00 0.00 WT1 O ATOM 12983 H1 TIP3 3679 67.930 92.572 31.953 1.00 0.00 WT1 H ATOM 12984 H2 TIP3 3679 67.062 93.708 31.454 1.00 0.00 WT1 H ATOM 12985 OH2 TIP3 3680 62.449 9.888 6.984 1.00 0.00 WT1 O ATOM 12986 H1 TIP3 3680 62.249 10.729 7.394 1.00 0.00 WT1 H ATOM 12987 H2 TIP3 3680 62.009 9.923 6.135 1.00 0.00 WT1 H ATOM 12988 OH2 TIP3 3681 49.451 3.478 44.444 1.00 0.00 WT1 O ATOM 12989 H1 TIP3 3681 49.230 2.964 43.667 1.00 0.00 WT1 H ATOM 12990 H2 TIP3 3681 50.150 4.065 44.152 1.00 0.00 WT1 H ATOM 12991 OH2 TIP3 3682 41.106 18.682 25.331 1.00 0.00 WT1 O ATOM 12992 H1 TIP3 3682 41.812 18.700 24.684 1.00 0.00 WT1 H ATOM 12993 H2 TIP3 3682 40.737 17.802 25.259 1.00 0.00 WT1 H ATOM 12994 OH2 TIP3 3683 24.690 26.604 -5.740 1.00 0.00 WT1 O ATOM 12995 H1 TIP3 3683 25.524 26.556 -6.209 1.00 0.00 WT1 H ATOM 12996 H2 TIP3 3683 24.719 27.446 -5.286 1.00 0.00 WT1 H ATOM 12997 OH2 TIP3 3685 87.465 53.790 -8.394 1.00 0.00 WT1 O ATOM 12998 H1 TIP3 3685 87.045 53.905 -9.247 1.00 0.00 WT1 H ATOM 12999 H2 TIP3 3685 88.072 54.527 -8.323 1.00 0.00 WT1 H ATOM 13000 OH2 TIP3 3686 74.572 23.952 14.813 1.00 0.00 WT1 O ATOM 13001 H1 TIP3 3686 74.014 23.175 14.778 1.00 0.00 WT1 H ATOM 13002 H2 TIP3 3686 75.403 23.669 14.433 1.00 0.00 WT1 H ATOM 13003 OH2 TIP3 3687 77.078 33.168 53.020 1.00 0.00 WT1 O ATOM 13004 H1 TIP3 3687 76.781 32.693 53.797 1.00 0.00 WT1 H ATOM 13005 H2 TIP3 3687 76.902 32.572 52.292 1.00 0.00 WT1 H ATOM 13006 OH2 TIP3 3689 78.822 39.669 20.118 1.00 0.00 WT1 O ATOM 13007 H1 TIP3 3689 79.087 40.514 20.482 1.00 0.00 WT1 H ATOM 13008 H2 TIP3 3689 78.076 39.875 19.553 1.00 0.00 WT1 H ATOM 13009 OH2 TIP3 3691 83.648 44.544 48.420 1.00 0.00 WT1 O ATOM 13010 H1 TIP3 3691 83.447 43.623 48.590 1.00 0.00 WT1 H ATOM 13011 H2 TIP3 3691 84.599 44.565 48.312 1.00 0.00 WT1 H ATOM 13012 OH2 TIP3 3692 43.663 76.038 66.864 1.00 0.00 WT1 O ATOM 13013 H1 TIP3 3692 43.429 76.946 67.057 1.00 0.00 WT1 H ATOM 13014 H2 TIP3 3692 44.548 76.090 66.503 1.00 0.00 WT1 H ATOM 13015 OH2 TIP3 3693 55.775 9.115 65.812 1.00 0.00 WT1 O ATOM 13016 H1 TIP3 3693 55.651 8.315 66.323 1.00 0.00 WT1 H ATOM 13017 H2 TIP3 3693 56.696 9.093 65.551 1.00 0.00 WT1 H ATOM 13018 OH2 TIP3 3694 26.863 1.438 -3.389 1.00 0.00 WT1 O ATOM 13019 H1 TIP3 3694 27.117 0.888 -4.130 1.00 0.00 WT1 H ATOM 13020 H2 TIP3 3694 26.698 2.298 -3.775 1.00 0.00 WT1 H ATOM 13021 OH2 TIP3 3695 62.152 48.780 -7.996 1.00 0.00 WT1 O ATOM 13022 H1 TIP3 3695 61.341 48.605 -7.519 1.00 0.00 WT1 H ATOM 13023 H2 TIP3 3695 62.654 47.968 -7.922 1.00 0.00 WT1 H ATOM 13024 OH2 TIP3 3696 45.855 4.421 61.001 1.00 0.00 WT1 O ATOM 13025 H1 TIP3 3696 45.452 3.735 61.533 1.00 0.00 WT1 H ATOM 13026 H2 TIP3 3696 45.279 4.506 60.241 1.00 0.00 WT1 H ATOM 13027 OH2 TIP3 3697 66.712 20.175 35.951 1.00 0.00 WT1 O ATOM 13028 H1 TIP3 3697 66.707 19.315 35.531 1.00 0.00 WT1 H ATOM 13029 H2 TIP3 3697 66.287 20.754 35.318 1.00 0.00 WT1 H ATOM 13030 OH2 TIP3 3698 38.379 41.907 36.804 1.00 0.00 WT1 O ATOM 13031 H1 TIP3 3698 38.454 41.979 37.756 1.00 0.00 WT1 H ATOM 13032 H2 TIP3 3698 39.085 42.459 36.466 1.00 0.00 WT1 H ATOM 13033 OH2 TIP3 3699 89.218 16.977 41.093 1.00 0.00 WT1 O ATOM 13034 H1 TIP3 3699 89.436 16.743 41.995 1.00 0.00 WT1 H ATOM 13035 H2 TIP3 3699 88.793 17.832 41.162 1.00 0.00 WT1 H ATOM 13036 OH2 TIP3 3700 23.454 68.277 -6.667 1.00 0.00 WT1 O ATOM 13037 H1 TIP3 3700 23.066 68.858 -6.012 1.00 0.00 WT1 H ATOM 13038 H2 TIP3 3700 23.201 67.397 -6.387 1.00 0.00 WT1 H ATOM 13039 OH2 TIP3 3701 57.779 22.857 12.069 1.00 0.00 WT1 O ATOM 13040 H1 TIP3 3701 57.209 23.569 12.360 1.00 0.00 WT1 H ATOM 13041 H2 TIP3 3701 57.361 22.064 12.404 1.00 0.00 WT1 H ATOM 13042 OH2 TIP3 3702 56.638 13.096 58.543 1.00 0.00 WT1 O ATOM 13043 H1 TIP3 3702 56.976 12.625 59.304 1.00 0.00 WT1 H ATOM 13044 H2 TIP3 3702 55.770 12.721 58.394 1.00 0.00 WT1 H ATOM 13045 OH2 TIP3 3703 69.321 19.255 27.662 1.00 0.00 WT1 O ATOM 13046 H1 TIP3 3703 68.601 18.923 27.126 1.00 0.00 WT1 H ATOM 13047 H2 TIP3 3703 69.542 20.100 27.270 1.00 0.00 WT1 H ATOM 13048 OH2 TIP3 3704 64.396 29.091 1.502 1.00 0.00 WT1 O ATOM 13049 H1 TIP3 3704 63.497 28.927 1.216 1.00 0.00 WT1 H ATOM 13050 H2 TIP3 3704 64.380 29.986 1.844 1.00 0.00 WT1 H ATOM 13051 OH2 TIP3 3705 75.891 45.716 22.008 1.00 0.00 WT1 O ATOM 13052 H1 TIP3 3705 74.999 45.716 22.355 1.00 0.00 WT1 H ATOM 13053 H2 TIP3 3705 75.790 45.958 21.087 1.00 0.00 WT1 H ATOM 13054 OH2 TIP3 3706 36.309 4.145 26.969 1.00 0.00 WT1 O ATOM 13055 H1 TIP3 3706 35.867 3.681 27.680 1.00 0.00 WT1 H ATOM 13056 H2 TIP3 3706 37.087 4.524 27.377 1.00 0.00 WT1 H ATOM 13057 OH2 TIP3 3708 84.496 3.665 0.130 1.00 0.00 WT1 O ATOM 13058 H1 TIP3 3708 84.356 2.719 0.165 1.00 0.00 WT1 H ATOM 13059 H2 TIP3 3708 85.307 3.806 0.620 1.00 0.00 WT1 H ATOM 13060 OH2 TIP3 3710 83.374 9.615 40.300 1.00 0.00 WT1 O ATOM 13061 H1 TIP3 3710 82.768 10.338 40.139 1.00 0.00 WT1 H ATOM 13062 H2 TIP3 3710 83.101 9.258 41.145 1.00 0.00 WT1 H ATOM 13063 OH2 TIP3 3711 43.386 49.862 50.987 1.00 0.00 WT1 O ATOM 13064 H1 TIP3 3711 43.514 49.359 51.791 1.00 0.00 WT1 H ATOM 13065 H2 TIP3 3711 43.995 50.597 51.064 1.00 0.00 WT1 H ATOM 13066 OH2 TIP3 3712 62.714 5.032 53.665 1.00 0.00 WT1 O ATOM 13067 H1 TIP3 3712 63.509 4.551 53.436 1.00 0.00 WT1 H ATOM 13068 H2 TIP3 3712 62.726 5.073 54.621 1.00 0.00 WT1 H ATOM 13069 OH2 TIP3 3715 29.348 6.492 1.588 1.00 0.00 WT1 O ATOM 13070 H1 TIP3 3715 29.758 5.705 1.228 1.00 0.00 WT1 H ATOM 13071 H2 TIP3 3715 28.436 6.439 1.303 1.00 0.00 WT1 H ATOM 13072 OH2 TIP3 3717 39.460 66.392 -11.143 1.00 0.00 WT1 O ATOM 13073 H1 TIP3 3717 38.753 65.790 -11.375 1.00 0.00 WT1 H ATOM 13074 H2 TIP3 3717 39.756 66.094 -10.283 1.00 0.00 WT1 H ATOM 13075 OH2 TIP3 3718 38.469 71.799 2.180 1.00 0.00 WT1 O ATOM 13076 H1 TIP3 3718 38.274 71.413 3.035 1.00 0.00 WT1 H ATOM 13077 H2 TIP3 3718 39.183 71.263 1.833 1.00 0.00 WT1 H ATOM 13078 OH2 TIP3 3719 39.779 33.062 -0.334 1.00 0.00 WT1 O ATOM 13079 H1 TIP3 3719 40.339 33.839 -0.329 1.00 0.00 WT1 H ATOM 13080 H2 TIP3 3719 39.989 32.621 -1.156 1.00 0.00 WT1 H ATOM 13081 OH2 TIP3 3720 81.938 17.601 0.416 1.00 0.00 WT1 O ATOM 13082 H1 TIP3 3720 82.772 17.985 0.147 1.00 0.00 WT1 H ATOM 13083 H2 TIP3 3720 81.692 18.088 1.202 1.00 0.00 WT1 H ATOM 13084 OH2 TIP3 3721 63.312 43.055 40.409 1.00 0.00 WT1 O ATOM 13085 H1 TIP3 3721 62.959 42.216 40.113 1.00 0.00 WT1 H ATOM 13086 H2 TIP3 3721 62.540 43.589 40.593 1.00 0.00 WT1 H ATOM 13087 OH2 TIP3 3722 31.360 77.531 62.122 1.00 0.00 WT1 O ATOM 13088 H1 TIP3 3722 31.375 77.548 63.079 1.00 0.00 WT1 H ATOM 13089 H2 TIP3 3722 31.350 76.600 61.899 1.00 0.00 WT1 H ATOM 13090 OH2 TIP3 3723 58.634 8.590 19.629 1.00 0.00 WT1 O ATOM 13091 H1 TIP3 3723 59.273 9.241 19.339 1.00 0.00 WT1 H ATOM 13092 H2 TIP3 3723 58.567 7.977 18.897 1.00 0.00 WT1 H ATOM 13093 OH2 TIP3 3724 38.086 15.274 21.604 1.00 0.00 WT1 O ATOM 13094 H1 TIP3 3724 38.966 15.129 21.258 1.00 0.00 WT1 H ATOM 13095 H2 TIP3 3724 38.139 16.119 22.049 1.00 0.00 WT1 H ATOM 13096 OH2 TIP3 3727 88.071 36.197 17.795 1.00 0.00 WT1 O ATOM 13097 H1 TIP3 3727 88.953 35.854 17.942 1.00 0.00 WT1 H ATOM 13098 H2 TIP3 3727 87.515 35.419 17.750 1.00 0.00 WT1 H ATOM 13099 OH2 TIP3 3728 53.728 35.527 -2.861 1.00 0.00 WT1 O ATOM 13100 H1 TIP3 3728 53.577 36.212 -2.210 1.00 0.00 WT1 H ATOM 13101 H2 TIP3 3728 53.457 34.718 -2.426 1.00 0.00 WT1 H ATOM 13102 OH2 TIP3 3729 41.411 56.961 49.444 1.00 0.00 WT1 O ATOM 13103 H1 TIP3 3729 41.480 57.685 48.821 1.00 0.00 WT1 H ATOM 13104 H2 TIP3 3729 42.239 56.488 49.354 1.00 0.00 WT1 H ATOM 13105 OH2 TIP3 3732 77.671 95.547 -3.162 1.00 0.00 WT1 O ATOM 13106 H1 TIP3 3732 76.987 95.519 -2.493 1.00 0.00 WT1 H ATOM 13107 H2 TIP3 3732 77.848 96.480 -3.286 1.00 0.00 WT1 H ATOM 13108 OH2 TIP3 3735 40.586 43.812 36.255 1.00 0.00 WT1 O ATOM 13109 H1 TIP3 3735 41.475 43.660 35.934 1.00 0.00 WT1 H ATOM 13110 H2 TIP3 3735 40.631 43.607 37.189 1.00 0.00 WT1 H ATOM 13111 OH2 TIP3 3736 38.404 83.664 20.484 1.00 0.00 WT1 O ATOM 13112 H1 TIP3 3736 38.744 84.551 20.366 1.00 0.00 WT1 H ATOM 13113 H2 TIP3 3736 38.954 83.120 19.920 1.00 0.00 WT1 H ATOM 13114 OH2 TIP3 3737 89.959 18.345 -8.237 1.00 0.00 WT1 O ATOM 13115 H1 TIP3 3737 89.128 18.516 -7.793 1.00 0.00 WT1 H ATOM 13116 H2 TIP3 3737 90.582 18.936 -7.815 1.00 0.00 WT1 H ATOM 13117 OH2 TIP3 3738 30.592 4.746 64.510 1.00 0.00 WT1 O ATOM 13118 H1 TIP3 3738 30.813 3.907 64.913 1.00 0.00 WT1 H ATOM 13119 H2 TIP3 3738 29.715 4.616 64.149 1.00 0.00 WT1 H ATOM 13120 OH2 TIP3 3739 56.099 28.270 43.323 1.00 0.00 WT1 O ATOM 13121 H1 TIP3 3739 56.631 28.964 43.712 1.00 0.00 WT1 H ATOM 13122 H2 TIP3 3739 55.767 28.649 42.510 1.00 0.00 WT1 H ATOM 13123 OH2 TIP3 3740 37.548 69.466 25.635 1.00 0.00 WT1 O ATOM 13124 H1 TIP3 3740 38.426 69.355 25.269 1.00 0.00 WT1 H ATOM 13125 H2 TIP3 3740 37.573 68.994 26.467 1.00 0.00 WT1 H ATOM 13126 OH2 TIP3 3741 66.571 72.820 48.227 1.00 0.00 WT1 O ATOM 13127 H1 TIP3 3741 66.801 72.122 48.840 1.00 0.00 WT1 H ATOM 13128 H2 TIP3 3741 65.614 72.816 48.206 1.00 0.00 WT1 H ATOM 13129 OH2 TIP3 3742 62.341 35.776 56.241 1.00 0.00 WT1 O ATOM 13130 H1 TIP3 3742 61.665 36.443 56.121 1.00 0.00 WT1 H ATOM 13131 H2 TIP3 3742 61.939 35.129 56.821 1.00 0.00 WT1 H ATOM 13132 OH2 TIP3 3743 84.442 74.574 -7.918 1.00 0.00 WT1 O ATOM 13133 H1 TIP3 3743 83.897 75.243 -8.332 1.00 0.00 WT1 H ATOM 13134 H2 TIP3 3743 85.264 75.022 -7.721 1.00 0.00 WT1 H ATOM 13135 OH2 TIP3 3744 86.615 64.340 13.878 1.00 0.00 WT1 O ATOM 13136 H1 TIP3 3744 87.559 64.227 13.772 1.00 0.00 WT1 H ATOM 13137 H2 TIP3 3744 86.262 64.252 12.992 1.00 0.00 WT1 H ATOM 13138 OH2 TIP3 3745 30.748 25.477 -20.335 1.00 0.00 WT1 O ATOM 13139 H1 TIP3 3745 31.349 26.062 -19.874 1.00 0.00 WT1 H ATOM 13140 H2 TIP3 3745 29.976 25.434 -19.770 1.00 0.00 WT1 H ATOM 13141 OH2 TIP3 3746 66.924 97.002 58.471 1.00 0.00 WT1 O ATOM 13142 H1 TIP3 3746 67.050 96.257 59.059 1.00 0.00 WT1 H ATOM 13143 H2 TIP3 3746 66.119 96.798 57.994 1.00 0.00 WT1 H ATOM 13144 OH2 TIP3 3747 39.187 63.202 11.664 1.00 0.00 WT1 O ATOM 13145 H1 TIP3 3747 39.442 62.407 12.132 1.00 0.00 WT1 H ATOM 13146 H2 TIP3 3747 39.766 63.229 10.903 1.00 0.00 WT1 H ATOM 13147 OH2 TIP3 3750 76.617 74.873 17.490 1.00 0.00 WT1 O ATOM 13148 H1 TIP3 3750 75.815 74.786 18.004 1.00 0.00 WT1 H ATOM 13149 H2 TIP3 3750 76.553 74.186 16.826 1.00 0.00 WT1 H ATOM 13150 OH2 TIP3 3751 29.828 29.461 -2.217 1.00 0.00 WT1 O ATOM 13151 H1 TIP3 3751 30.766 29.464 -2.407 1.00 0.00 WT1 H ATOM 13152 H2 TIP3 3751 29.563 30.377 -2.300 1.00 0.00 WT1 H ATOM 13153 OH2 TIP3 3752 39.708 12.224 9.960 1.00 0.00 WT1 O ATOM 13154 H1 TIP3 3752 40.021 13.114 10.122 1.00 0.00 WT1 H ATOM 13155 H2 TIP3 3752 40.397 11.660 10.311 1.00 0.00 WT1 H ATOM 13156 OH2 TIP3 3753 74.155 36.409 44.205 1.00 0.00 WT1 O ATOM 13157 H1 TIP3 3753 75.039 36.373 44.572 1.00 0.00 WT1 H ATOM 13158 H2 TIP3 3753 73.742 35.595 44.494 1.00 0.00 WT1 H ATOM 13159 OH2 TIP3 3756 60.490 73.792 44.186 1.00 0.00 WT1 O ATOM 13160 H1 TIP3 3756 59.665 74.221 44.414 1.00 0.00 WT1 H ATOM 13161 H2 TIP3 3756 60.362 72.877 44.436 1.00 0.00 WT1 H ATOM 13162 OH2 TIP3 3757 82.850 42.893 -15.743 1.00 0.00 WT1 O ATOM 13163 H1 TIP3 3757 82.407 43.309 -15.003 1.00 0.00 WT1 H ATOM 13164 H2 TIP3 3757 83.782 42.995 -15.553 1.00 0.00 WT1 H ATOM 13165 OH2 TIP3 3758 67.039 6.880 9.888 1.00 0.00 WT1 O ATOM 13166 H1 TIP3 3758 66.165 7.266 9.926 1.00 0.00 WT1 H ATOM 13167 H2 TIP3 3758 67.469 7.178 10.689 1.00 0.00 WT1 H ATOM 13168 OH2 TIP3 3759 62.849 81.928 -14.849 1.00 0.00 WT1 O ATOM 13169 H1 TIP3 3759 63.606 81.832 -15.427 1.00 0.00 WT1 H ATOM 13170 H2 TIP3 3759 63.199 82.341 -14.060 1.00 0.00 WT1 H ATOM 13171 OH2 TIP3 3760 40.977 30.747 -13.129 1.00 0.00 WT1 O ATOM 13172 H1 TIP3 3760 40.814 30.318 -13.969 1.00 0.00 WT1 H ATOM 13173 H2 TIP3 3760 40.744 31.663 -13.279 1.00 0.00 WT1 H ATOM 13174 OH2 TIP3 3761 31.074 39.712 15.853 1.00 0.00 WT1 O ATOM 13175 H1 TIP3 3761 31.801 40.133 15.394 1.00 0.00 WT1 H ATOM 13176 H2 TIP3 3761 31.028 40.165 16.695 1.00 0.00 WT1 H ATOM 13177 OH2 TIP3 3762 30.322 85.318 -11.347 1.00 0.00 WT1 O ATOM 13178 H1 TIP3 3762 29.443 85.542 -11.650 1.00 0.00 WT1 H ATOM 13179 H2 TIP3 3762 30.878 86.024 -11.679 1.00 0.00 WT1 H ATOM 13180 OH2 TIP3 3763 36.179 86.029 44.699 1.00 0.00 WT1 O ATOM 13181 H1 TIP3 3763 36.254 85.386 45.404 1.00 0.00 WT1 H ATOM 13182 H2 TIP3 3763 35.861 85.528 43.949 1.00 0.00 WT1 H ATOM 13183 OH2 TIP3 3764 44.936 10.260 -4.836 1.00 0.00 WT1 O ATOM 13184 H1 TIP3 3764 44.915 9.377 -5.206 1.00 0.00 WT1 H ATOM 13185 H2 TIP3 3764 44.561 10.162 -3.961 1.00 0.00 WT1 H ATOM 13186 OH2 TIP3 3765 22.609 24.910 -6.174 1.00 0.00 WT1 O ATOM 13187 H1 TIP3 3765 23.448 25.329 -5.983 1.00 0.00 WT1 H ATOM 13188 H2 TIP3 3765 21.998 25.637 -6.294 1.00 0.00 WT1 H ATOM 13189 OH2 TIP3 3768 40.114 66.564 29.669 1.00 0.00 WT1 O ATOM 13190 H1 TIP3 3768 40.710 65.912 29.300 1.00 0.00 WT1 H ATOM 13191 H2 TIP3 3768 40.662 67.336 29.813 1.00 0.00 WT1 H ATOM 13192 OH2 TIP3 3770 55.829 14.955 -2.967 1.00 0.00 WT1 O ATOM 13193 H1 TIP3 3770 56.390 15.089 -3.731 1.00 0.00 WT1 H ATOM 13194 H2 TIP3 3770 55.312 15.758 -2.905 1.00 0.00 WT1 H ATOM 13195 OH2 TIP3 3775 21.381 31.917 64.228 1.00 0.00 WT1 O ATOM 13196 H1 TIP3 3775 21.576 32.748 64.661 1.00 0.00 WT1 H ATOM 13197 H2 TIP3 3775 20.787 32.152 63.515 1.00 0.00 WT1 H ATOM 13198 OH2 TIP3 3776 63.155 56.968 -2.062 1.00 0.00 WT1 O ATOM 13199 H1 TIP3 3776 63.681 56.200 -1.840 1.00 0.00 WT1 H ATOM 13200 H2 TIP3 3776 62.396 56.915 -1.481 1.00 0.00 WT1 H ATOM 13201 OH2 TIP3 3777 57.636 73.448 49.883 1.00 0.00 WT1 O ATOM 13202 H1 TIP3 3777 58.571 73.652 49.879 1.00 0.00 WT1 H ATOM 13203 H2 TIP3 3777 57.546 72.722 49.265 1.00 0.00 WT1 H ATOM 13204 OH2 TIP3 3779 60.633 16.265 61.640 1.00 0.00 WT1 O ATOM 13205 H1 TIP3 3779 60.046 16.815 61.121 1.00 0.00 WT1 H ATOM 13206 H2 TIP3 3779 60.698 15.449 61.144 1.00 0.00 WT1 H ATOM 13207 OH2 TIP3 3780 48.389 51.802 -14.144 1.00 0.00 WT1 O ATOM 13208 H1 TIP3 3780 48.710 51.556 -15.011 1.00 0.00 WT1 H ATOM 13209 H2 TIP3 3780 48.437 52.758 -14.132 1.00 0.00 WT1 H ATOM 13210 OH2 TIP3 3781 29.786 59.773 48.394 1.00 0.00 WT1 O ATOM 13211 H1 TIP3 3781 30.218 59.930 47.554 1.00 0.00 WT1 H ATOM 13212 H2 TIP3 3781 30.393 59.209 48.874 1.00 0.00 WT1 H ATOM 13213 OH2 TIP3 3782 78.246 27.424 14.037 1.00 0.00 WT1 O ATOM 13214 H1 TIP3 3782 77.834 28.218 13.695 1.00 0.00 WT1 H ATOM 13215 H2 TIP3 3782 77.518 26.902 14.373 1.00 0.00 WT1 H ATOM 13216 OH2 TIP3 3783 23.594 28.024 15.276 1.00 0.00 WT1 O ATOM 13217 H1 TIP3 3783 23.770 28.926 15.007 1.00 0.00 WT1 H ATOM 13218 H2 TIP3 3783 24.116 27.904 16.069 1.00 0.00 WT1 H ATOM 13219 OH2 TIP3 3784 82.480 46.196 27.920 1.00 0.00 WT1 O ATOM 13220 H1 TIP3 3784 83.436 46.213 27.892 1.00 0.00 WT1 H ATOM 13221 H2 TIP3 3784 82.242 46.963 28.441 1.00 0.00 WT1 H ATOM 13222 OH2 TIP3 3785 83.817 6.618 0.080 1.00 0.00 WT1 O ATOM 13223 H1 TIP3 3785 84.393 5.923 0.400 1.00 0.00 WT1 H ATOM 13224 H2 TIP3 3785 83.156 6.717 0.765 1.00 0.00 WT1 H ATOM 13225 OH2 TIP3 3786 74.288 6.127 48.537 1.00 0.00 WT1 O ATOM 13226 H1 TIP3 3786 74.254 6.687 47.761 1.00 0.00 WT1 H ATOM 13227 H2 TIP3 3786 74.255 5.235 48.191 1.00 0.00 WT1 H ATOM 13228 OH2 TIP3 3788 63.301 12.383 9.996 1.00 0.00 WT1 O ATOM 13229 H1 TIP3 3788 62.480 12.105 9.588 1.00 0.00 WT1 H ATOM 13230 H2 TIP3 3788 63.461 11.733 10.679 1.00 0.00 WT1 H ATOM 13231 OH2 TIP3 3789 50.408 10.726 64.020 1.00 0.00 WT1 O ATOM 13232 H1 TIP3 3789 51.343 10.903 64.127 1.00 0.00 WT1 H ATOM 13233 H2 TIP3 3789 49.973 11.473 64.430 1.00 0.00 WT1 H ATOM 13234 OH2 TIP3 3790 39.661 25.375 16.837 1.00 0.00 WT1 O ATOM 13235 H1 TIP3 3790 39.981 26.210 17.180 1.00 0.00 WT1 H ATOM 13236 H2 TIP3 3790 38.878 25.605 16.338 1.00 0.00 WT1 H ATOM 13237 OH2 TIP3 3795 83.120 10.764 65.696 1.00 0.00 WT1 O ATOM 13238 H1 TIP3 3795 82.923 11.614 65.301 1.00 0.00 WT1 H ATOM 13239 H2 TIP3 3795 82.871 10.126 65.027 1.00 0.00 WT1 H ATOM 13240 OH2 TIP3 3796 50.907 73.371 23.288 1.00 0.00 WT1 O ATOM 13241 H1 TIP3 3796 50.210 73.828 23.758 1.00 0.00 WT1 H ATOM 13242 H2 TIP3 3796 50.455 72.691 22.790 1.00 0.00 WT1 H ATOM 13243 OH2 TIP3 3797 76.018 22.305 32.828 1.00 0.00 WT1 O ATOM 13244 H1 TIP3 3797 76.855 22.768 32.793 1.00 0.00 WT1 H ATOM 13245 H2 TIP3 3797 76.213 21.492 33.295 1.00 0.00 WT1 H ATOM 13246 OH2 TIP3 3798 68.787 72.872 61.184 1.00 0.00 WT1 O ATOM 13247 H1 TIP3 3798 68.099 72.269 60.903 1.00 0.00 WT1 H ATOM 13248 H2 TIP3 3798 69.442 72.830 60.487 1.00 0.00 WT1 H ATOM 13249 OH2 TIP3 3800 69.597 15.080 49.437 1.00 0.00 WT1 O ATOM 13250 H1 TIP3 3800 70.370 15.091 48.872 1.00 0.00 WT1 H ATOM 13251 H2 TIP3 3800 68.970 15.655 48.998 1.00 0.00 WT1 H ATOM 13252 OH2 TIP3 3801 52.332 22.876 -2.501 1.00 0.00 WT1 O ATOM 13253 H1 TIP3 3801 51.453 22.740 -2.857 1.00 0.00 WT1 H ATOM 13254 H2 TIP3 3801 52.224 23.573 -1.854 1.00 0.00 WT1 H ATOM 13255 OH2 TIP3 3802 60.168 31.767 8.727 1.00 0.00 WT1 O ATOM 13256 H1 TIP3 3802 59.271 32.101 8.747 1.00 0.00 WT1 H ATOM 13257 H2 TIP3 3802 60.392 31.624 9.647 1.00 0.00 WT1 H ATOM 13258 OH2 TIP3 3803 80.965 86.599 24.259 1.00 0.00 WT1 O ATOM 13259 H1 TIP3 3803 80.409 85.880 24.561 1.00 0.00 WT1 H ATOM 13260 H2 TIP3 3803 81.601 86.182 23.678 1.00 0.00 WT1 H ATOM 13261 OH2 TIP3 3804 45.176 58.866 12.640 1.00 0.00 WT1 O ATOM 13262 H1 TIP3 3804 45.935 59.415 12.447 1.00 0.00 WT1 H ATOM 13263 H2 TIP3 3804 45.081 58.914 13.592 1.00 0.00 WT1 H ATOM 13264 OH2 TIP3 3805 67.537 79.854 64.723 1.00 0.00 WT1 O ATOM 13265 H1 TIP3 3805 66.818 80.181 64.183 1.00 0.00 WT1 H ATOM 13266 H2 TIP3 3805 67.849 80.625 65.198 1.00 0.00 WT1 H ATOM 13267 OH2 TIP3 3806 87.787 51.272 -7.756 1.00 0.00 WT1 O ATOM 13268 H1 TIP3 3806 87.659 52.200 -7.952 1.00 0.00 WT1 H ATOM 13269 H2 TIP3 3806 88.699 51.100 -7.993 1.00 0.00 WT1 H ATOM 13270 OH2 TIP3 3807 38.561 33.847 42.859 1.00 0.00 WT1 O ATOM 13271 H1 TIP3 3807 39.168 33.796 43.597 1.00 0.00 WT1 H ATOM 13272 H2 TIP3 3807 39.123 33.840 42.084 1.00 0.00 WT1 H ATOM 13273 OH2 TIP3 3808 46.858 8.667 20.250 1.00 0.00 WT1 O ATOM 13274 H1 TIP3 3808 46.604 8.854 19.346 1.00 0.00 WT1 H ATOM 13275 H2 TIP3 3808 46.852 7.711 20.308 1.00 0.00 WT1 H ATOM 13276 OH2 TIP3 3809 66.049 52.661 36.536 1.00 0.00 WT1 O ATOM 13277 H1 TIP3 3809 65.250 53.122 36.795 1.00 0.00 WT1 H ATOM 13278 H2 TIP3 3809 66.498 53.270 35.950 1.00 0.00 WT1 H ATOM 13279 OH2 TIP3 3810 30.973 44.808 -0.128 1.00 0.00 WT1 O ATOM 13280 H1 TIP3 3810 30.557 44.633 0.717 1.00 0.00 WT1 H ATOM 13281 H2 TIP3 3810 31.882 45.013 0.090 1.00 0.00 WT1 H ATOM 13282 OH2 TIP3 3811 67.442 0.935 14.137 1.00 0.00 WT1 O ATOM 13283 H1 TIP3 3811 67.374 1.435 14.950 1.00 0.00 WT1 H ATOM 13284 H2 TIP3 3811 68.320 0.554 14.162 1.00 0.00 WT1 H ATOM 13285 OH2 TIP3 3813 72.103 69.945 2.082 1.00 0.00 WT1 O ATOM 13286 H1 TIP3 3813 72.013 69.493 2.921 1.00 0.00 WT1 H ATOM 13287 H2 TIP3 3813 71.738 70.816 2.239 1.00 0.00 WT1 H ATOM 13288 OH2 TIP3 3818 49.075 14.192 16.148 1.00 0.00 WT1 O ATOM 13289 H1 TIP3 3818 48.648 14.734 16.811 1.00 0.00 WT1 H ATOM 13290 H2 TIP3 3818 49.389 14.816 15.494 1.00 0.00 WT1 H ATOM 13291 OH2 TIP3 3819 89.585 31.091 51.297 1.00 0.00 WT1 O ATOM 13292 H1 TIP3 3819 89.996 30.235 51.425 1.00 0.00 WT1 H ATOM 13293 H2 TIP3 3819 90.257 31.721 51.559 1.00 0.00 WT1 H ATOM 13294 OH2 TIP3 3820 90.457 83.880 -2.315 1.00 0.00 WT1 O ATOM 13295 H1 TIP3 3820 91.001 84.654 -2.464 1.00 0.00 WT1 H ATOM 13296 H2 TIP3 3820 90.821 83.480 -1.526 1.00 0.00 WT1 H ATOM 13297 OH2 TIP3 3821 39.147 85.128 35.002 1.00 0.00 WT1 O ATOM 13298 H1 TIP3 3821 39.460 84.636 34.243 1.00 0.00 WT1 H ATOM 13299 H2 TIP3 3821 38.364 85.580 34.688 1.00 0.00 WT1 H ATOM 13300 OH2 TIP3 3822 88.317 29.331 10.417 1.00 0.00 WT1 O ATOM 13301 H1 TIP3 3822 87.600 29.398 11.047 1.00 0.00 WT1 H ATOM 13302 H2 TIP3 3822 88.982 29.937 10.744 1.00 0.00 WT1 H ATOM 13303 OH2 TIP3 3823 83.167 30.488 -18.908 1.00 0.00 WT1 O ATOM 13304 H1 TIP3 3823 83.016 30.310 -19.836 1.00 0.00 WT1 H ATOM 13305 H2 TIP3 3823 83.517 31.379 -18.888 1.00 0.00 WT1 H ATOM 13306 OH2 TIP3 3825 33.918 35.926 -6.136 1.00 0.00 WT1 O ATOM 13307 H1 TIP3 3825 33.469 36.572 -5.591 1.00 0.00 WT1 H ATOM 13308 H2 TIP3 3825 33.396 35.129 -6.042 1.00 0.00 WT1 H ATOM 13309 OH2 TIP3 3826 54.082 68.290 -2.916 1.00 0.00 WT1 O ATOM 13310 H1 TIP3 3826 54.237 67.347 -2.859 1.00 0.00 WT1 H ATOM 13311 H2 TIP3 3826 54.451 68.643 -2.107 1.00 0.00 WT1 H ATOM 13312 OH2 TIP3 3827 66.261 24.758 35.919 1.00 0.00 WT1 O ATOM 13313 H1 TIP3 3827 66.410 25.414 35.238 1.00 0.00 WT1 H ATOM 13314 H2 TIP3 3827 65.420 25.000 36.307 1.00 0.00 WT1 H ATOM 13315 OH2 TIP3 3828 83.898 52.443 2.482 1.00 0.00 WT1 O ATOM 13316 H1 TIP3 3828 83.161 52.909 2.877 1.00 0.00 WT1 H ATOM 13317 H2 TIP3 3828 84.651 52.687 3.020 1.00 0.00 WT1 H ATOM 13318 OH2 TIP3 3829 49.651 58.112 2.375 1.00 0.00 WT1 O ATOM 13319 H1 TIP3 3829 49.741 59.064 2.327 1.00 0.00 WT1 H ATOM 13320 H2 TIP3 3829 50.469 57.813 2.772 1.00 0.00 WT1 H ATOM 13321 OH2 TIP3 3830 30.700 66.055 39.376 1.00 0.00 WT1 O ATOM 13322 H1 TIP3 3830 29.927 66.114 39.937 1.00 0.00 WT1 H ATOM 13323 H2 TIP3 3830 30.564 66.728 38.709 1.00 0.00 WT1 H ATOM 13324 OH2 TIP3 3832 40.536 76.859 30.179 1.00 0.00 WT1 O ATOM 13325 H1 TIP3 3832 41.130 76.436 29.560 1.00 0.00 WT1 H ATOM 13326 H2 TIP3 3832 40.486 76.252 30.918 1.00 0.00 WT1 H ATOM 13327 OH2 TIP3 3833 53.538 17.426 17.960 1.00 0.00 WT1 O ATOM 13328 H1 TIP3 3833 53.447 18.215 17.425 1.00 0.00 WT1 H ATOM 13329 H2 TIP3 3833 53.312 17.709 18.846 1.00 0.00 WT1 H ATOM 13330 OH2 TIP3 3836 84.159 87.658 17.482 1.00 0.00 WT1 O ATOM 13331 H1 TIP3 3836 83.260 87.721 17.158 1.00 0.00 WT1 H ATOM 13332 H2 TIP3 3836 84.686 87.504 16.698 1.00 0.00 WT1 H ATOM 13333 OH2 TIP3 3837 56.682 29.338 19.813 1.00 0.00 WT1 O ATOM 13334 H1 TIP3 3837 56.100 29.728 20.465 1.00 0.00 WT1 H ATOM 13335 H2 TIP3 3837 57.531 29.749 19.973 1.00 0.00 WT1 H ATOM 13336 OH2 TIP3 3839 25.945 54.231 50.039 1.00 0.00 WT1 O ATOM 13337 H1 TIP3 3839 26.296 54.469 50.897 1.00 0.00 WT1 H ATOM 13338 H2 TIP3 3839 25.569 53.360 50.167 1.00 0.00 WT1 H ATOM 13339 OH2 TIP3 3841 90.309 34.908 -3.970 1.00 0.00 WT1 O ATOM 13340 H1 TIP3 3841 90.506 34.463 -3.146 1.00 0.00 WT1 H ATOM 13341 H2 TIP3 3841 89.798 35.675 -3.713 1.00 0.00 WT1 H ATOM 13342 OH2 TIP3 3844 87.232 32.106 62.666 1.00 0.00 WT1 O ATOM 13343 H1 TIP3 3844 88.020 31.563 62.642 1.00 0.00 WT1 H ATOM 13344 H2 TIP3 3844 87.499 32.897 63.134 1.00 0.00 WT1 H ATOM 13345 OH2 TIP3 3845 44.339 57.539 0.618 1.00 0.00 WT1 O ATOM 13346 H1 TIP3 3845 43.829 56.945 1.168 1.00 0.00 WT1 H ATOM 13347 H2 TIP3 3845 45.129 57.719 1.129 1.00 0.00 WT1 H ATOM 13348 OH2 TIP3 3846 80.163 34.799 -8.518 1.00 0.00 WT1 O ATOM 13349 H1 TIP3 3846 80.461 34.612 -7.628 1.00 0.00 WT1 H ATOM 13350 H2 TIP3 3846 79.935 33.942 -8.880 1.00 0.00 WT1 H ATOM 13351 OH2 TIP3 3847 88.366 69.554 14.914 1.00 0.00 WT1 O ATOM 13352 H1 TIP3 3847 89.063 69.497 15.568 1.00 0.00 WT1 H ATOM 13353 H2 TIP3 3847 88.554 68.843 14.301 1.00 0.00 WT1 H ATOM 13354 OH2 TIP3 3848 21.421 82.894 32.089 1.00 0.00 WT1 O ATOM 13355 H1 TIP3 3848 21.833 82.537 31.303 1.00 0.00 WT1 H ATOM 13356 H2 TIP3 3848 21.501 83.842 31.994 1.00 0.00 WT1 H ATOM 13357 OH2 TIP3 3849 62.264 17.286 -7.045 1.00 0.00 WT1 O ATOM 13358 H1 TIP3 3849 62.649 17.808 -7.748 1.00 0.00 WT1 H ATOM 13359 H2 TIP3 3849 61.386 17.071 -7.359 1.00 0.00 WT1 H ATOM 13360 OH2 TIP3 3851 40.749 39.579 -6.695 1.00 0.00 WT1 O ATOM 13361 H1 TIP3 3851 40.731 40.249 -6.012 1.00 0.00 WT1 H ATOM 13362 H2 TIP3 3851 40.640 38.753 -6.224 1.00 0.00 WT1 H ATOM 13363 OH2 TIP3 3852 67.134 86.783 27.535 1.00 0.00 WT1 O ATOM 13364 H1 TIP3 3852 66.645 87.247 28.215 1.00 0.00 WT1 H ATOM 13365 H2 TIP3 3852 66.472 86.271 27.070 1.00 0.00 WT1 H ATOM 13366 OH2 TIP3 3853 88.170 23.260 -19.335 1.00 0.00 WT1 O ATOM 13367 H1 TIP3 3853 87.436 23.384 -18.734 1.00 0.00 WT1 H ATOM 13368 H2 TIP3 3853 87.951 22.464 -19.820 1.00 0.00 WT1 H ATOM 13369 OH2 TIP3 3854 63.923 51.870 9.546 1.00 0.00 WT1 O ATOM 13370 H1 TIP3 3854 63.428 52.672 9.380 1.00 0.00 WT1 H ATOM 13371 H2 TIP3 3854 63.301 51.290 9.985 1.00 0.00 WT1 H ATOM 13372 OH2 TIP3 3856 29.866 42.035 65.641 1.00 0.00 WT1 O ATOM 13373 H1 TIP3 3856 29.324 42.820 65.717 1.00 0.00 WT1 H ATOM 13374 H2 TIP3 3856 30.260 41.930 66.508 1.00 0.00 WT1 H ATOM 13375 OH2 TIP3 3860 22.186 22.150 -7.159 1.00 0.00 WT1 O ATOM 13376 H1 TIP3 3860 22.830 21.984 -6.470 1.00 0.00 WT1 H ATOM 13377 H2 TIP3 3860 22.048 23.097 -7.134 1.00 0.00 WT1 H ATOM 13378 OH2 TIP3 3863 84.874 62.240 65.007 1.00 0.00 WT1 O ATOM 13379 H1 TIP3 3863 85.508 61.886 65.632 1.00 0.00 WT1 H ATOM 13380 H2 TIP3 3863 85.145 63.149 64.879 1.00 0.00 WT1 H ATOM 13381 OH2 TIP3 3865 45.372 52.442 -3.816 1.00 0.00 WT1 O ATOM 13382 H1 TIP3 3865 45.864 52.396 -2.996 1.00 0.00 WT1 H ATOM 13383 H2 TIP3 3865 44.457 52.507 -3.544 1.00 0.00 WT1 H ATOM 13384 OH2 TIP3 3866 85.555 63.321 57.327 1.00 0.00 WT1 O ATOM 13385 H1 TIP3 3866 85.985 62.518 57.032 1.00 0.00 WT1 H ATOM 13386 H2 TIP3 3866 84.880 63.021 57.937 1.00 0.00 WT1 H ATOM 13387 OH2 TIP3 3867 40.281 27.075 14.183 1.00 0.00 WT1 O ATOM 13388 H1 TIP3 3867 39.370 26.991 14.463 1.00 0.00 WT1 H ATOM 13389 H2 TIP3 3867 40.645 26.196 14.281 1.00 0.00 WT1 H ATOM 13390 OH2 TIP3 3868 74.754 70.742 -0.872 1.00 0.00 WT1 O ATOM 13391 H1 TIP3 3868 75.537 70.515 -1.374 1.00 0.00 WT1 H ATOM 13392 H2 TIP3 3868 74.959 70.479 0.025 1.00 0.00 WT1 H ATOM 13393 OH2 TIP3 3869 80.611 37.744 61.760 1.00 0.00 WT1 O ATOM 13394 H1 TIP3 3869 80.086 38.442 61.369 1.00 0.00 WT1 H ATOM 13395 H2 TIP3 3869 80.173 36.936 61.495 1.00 0.00 WT1 H ATOM 13396 OH2 TIP3 3870 22.018 49.283 -8.393 1.00 0.00 WT1 O ATOM 13397 H1 TIP3 3870 21.422 49.099 -9.119 1.00 0.00 WT1 H ATOM 13398 H2 TIP3 3870 22.633 48.550 -8.396 1.00 0.00 WT1 H ATOM 13399 OH2 TIP3 3871 69.481 84.861 5.287 1.00 0.00 WT1 O ATOM 13400 H1 TIP3 3871 68.995 84.409 4.597 1.00 0.00 WT1 H ATOM 13401 H2 TIP3 3871 69.597 84.202 5.971 1.00 0.00 WT1 H ATOM 13402 OH2 TIP3 3873 42.844 44.050 8.708 1.00 0.00 WT1 O ATOM 13403 H1 TIP3 3873 42.186 44.275 9.366 1.00 0.00 WT1 H ATOM 13404 H2 TIP3 3873 43.586 44.621 8.906 1.00 0.00 WT1 H ATOM 13405 OH2 TIP3 3875 64.834 53.682 20.437 1.00 0.00 WT1 O ATOM 13406 H1 TIP3 3875 64.084 54.062 19.980 1.00 0.00 WT1 H ATOM 13407 H2 TIP3 3875 65.145 52.990 19.854 1.00 0.00 WT1 H ATOM 13408 OH2 TIP3 3877 76.896 65.442 -1.213 1.00 0.00 WT1 O ATOM 13409 H1 TIP3 3877 77.242 64.659 -1.642 1.00 0.00 WT1 H ATOM 13410 H2 TIP3 3877 76.572 65.130 -0.369 1.00 0.00 WT1 H ATOM 13411 OH2 TIP3 3882 39.479 64.025 -8.631 1.00 0.00 WT1 O ATOM 13412 H1 TIP3 3882 39.224 64.720 -8.023 1.00 0.00 WT1 H ATOM 13413 H2 TIP3 3882 39.179 63.219 -8.212 1.00 0.00 WT1 H ATOM 13414 OH2 TIP3 3883 57.632 90.968 -13.976 1.00 0.00 WT1 O ATOM 13415 H1 TIP3 3883 58.124 91.010 -13.155 1.00 0.00 WT1 H ATOM 13416 H2 TIP3 3883 56.836 90.485 -13.754 1.00 0.00 WT1 H ATOM 13417 OH2 TIP3 3885 48.679 17.882 53.480 1.00 0.00 WT1 O ATOM 13418 H1 TIP3 3885 49.090 17.552 54.279 1.00 0.00 WT1 H ATOM 13419 H2 TIP3 3885 48.378 17.096 53.023 1.00 0.00 WT1 H ATOM 13420 OH2 TIP3 3886 58.088 29.981 -4.953 1.00 0.00 WT1 O ATOM 13421 H1 TIP3 3886 58.014 30.665 -5.617 1.00 0.00 WT1 H ATOM 13422 H2 TIP3 3886 58.163 30.457 -4.125 1.00 0.00 WT1 H ATOM 13423 OH2 TIP3 3888 56.951 43.034 -4.497 1.00 0.00 WT1 O ATOM 13424 H1 TIP3 3888 57.542 42.282 -4.553 1.00 0.00 WT1 H ATOM 13425 H2 TIP3 3888 57.438 43.684 -3.991 1.00 0.00 WT1 H ATOM 13426 OH2 TIP3 3889 25.219 91.896 -3.378 1.00 0.00 WT1 O ATOM 13427 H1 TIP3 3889 24.759 91.058 -3.437 1.00 0.00 WT1 H ATOM 13428 H2 TIP3 3889 26.139 91.675 -3.521 1.00 0.00 WT1 H ATOM 13429 OH2 TIP3 3890 88.045 44.829 9.808 1.00 0.00 WT1 O ATOM 13430 H1 TIP3 3890 87.262 45.360 9.952 1.00 0.00 WT1 H ATOM 13431 H2 TIP3 3890 87.837 44.299 9.038 1.00 0.00 WT1 H ATOM 13432 OH2 TIP3 3891 67.352 72.974 -9.985 1.00 0.00 WT1 O ATOM 13433 H1 TIP3 3891 67.734 72.272 -10.512 1.00 0.00 WT1 H ATOM 13434 H2 TIP3 3891 67.472 72.687 -9.079 1.00 0.00 WT1 H ATOM 13435 OH2 TIP3 3892 51.353 28.002 16.666 1.00 0.00 WT1 O ATOM 13436 H1 TIP3 3892 50.663 28.665 16.669 1.00 0.00 WT1 H ATOM 13437 H2 TIP3 3892 52.166 28.502 16.739 1.00 0.00 WT1 H ATOM 13438 OH2 TIP3 3896 87.017 74.471 49.612 1.00 0.00 WT1 O ATOM 13439 H1 TIP3 3896 86.393 73.752 49.508 1.00 0.00 WT1 H ATOM 13440 H2 TIP3 3896 86.550 75.242 49.291 1.00 0.00 WT1 H ATOM 13441 OH2 TIP3 3898 72.922 43.251 -11.967 1.00 0.00 WT1 O ATOM 13442 H1 TIP3 3898 72.533 44.124 -12.017 1.00 0.00 WT1 H ATOM 13443 H2 TIP3 3898 72.969 43.062 -11.030 1.00 0.00 WT1 H ATOM 13444 OH2 TIP3 3899 35.762 29.334 -3.116 1.00 0.00 WT1 O ATOM 13445 H1 TIP3 3899 36.245 28.520 -2.974 1.00 0.00 WT1 H ATOM 13446 H2 TIP3 3899 35.118 29.357 -2.408 1.00 0.00 WT1 H ATOM 13447 OH2 TIP3 3900 48.115 37.172 28.774 1.00 0.00 WT1 O ATOM 13448 H1 TIP3 3900 48.438 36.808 27.950 1.00 0.00 WT1 H ATOM 13449 H2 TIP3 3900 47.425 37.782 28.513 1.00 0.00 WT1 H ATOM 13450 OH2 TIP3 3903 82.195 87.410 3.264 1.00 0.00 WT1 O ATOM 13451 H1 TIP3 3903 81.942 86.549 3.597 1.00 0.00 WT1 H ATOM 13452 H2 TIP3 3903 81.369 87.822 3.010 1.00 0.00 WT1 H ATOM 13453 OH2 TIP3 3906 72.431 85.816 58.919 1.00 0.00 WT1 O ATOM 13454 H1 TIP3 3906 71.551 85.542 58.658 1.00 0.00 WT1 H ATOM 13455 H2 TIP3 3906 72.951 85.747 58.118 1.00 0.00 WT1 H ATOM 13456 OH2 TIP3 3907 27.657 60.125 2.625 1.00 0.00 WT1 O ATOM 13457 H1 TIP3 3907 26.862 59.592 2.627 1.00 0.00 WT1 H ATOM 13458 H2 TIP3 3907 28.371 59.490 2.682 1.00 0.00 WT1 H ATOM 13459 OH2 TIP3 3908 30.985 36.916 16.653 1.00 0.00 WT1 O ATOM 13460 H1 TIP3 3908 31.794 36.462 16.888 1.00 0.00 WT1 H ATOM 13461 H2 TIP3 3908 31.274 37.767 16.324 1.00 0.00 WT1 H ATOM 13462 OH2 TIP3 3909 24.054 19.565 -16.752 1.00 0.00 WT1 O ATOM 13463 H1 TIP3 3909 23.864 20.500 -16.820 1.00 0.00 WT1 H ATOM 13464 H2 TIP3 3909 23.194 19.145 -16.741 1.00 0.00 WT1 H ATOM 13465 OH2 TIP3 3910 28.544 25.133 42.821 1.00 0.00 WT1 O ATOM 13466 H1 TIP3 3910 29.410 25.128 43.230 1.00 0.00 WT1 H ATOM 13467 H2 TIP3 3910 28.126 25.926 43.155 1.00 0.00 WT1 H ATOM 13468 OH2 TIP3 3912 54.577 21.890 7.480 1.00 0.00 WT1 O ATOM 13469 H1 TIP3 3912 54.951 21.048 7.742 1.00 0.00 WT1 H ATOM 13470 H2 TIP3 3912 55.065 22.538 7.988 1.00 0.00 WT1 H ATOM 13471 OH2 TIP3 3913 87.330 56.863 -11.014 1.00 0.00 WT1 O ATOM 13472 H1 TIP3 3913 87.739 56.595 -11.837 1.00 0.00 WT1 H ATOM 13473 H2 TIP3 3913 87.862 57.599 -10.711 1.00 0.00 WT1 H ATOM 13474 OH2 TIP3 3916 84.319 63.027 12.069 1.00 0.00 WT1 O ATOM 13475 H1 TIP3 3916 83.494 62.662 12.387 1.00 0.00 WT1 H ATOM 13476 H2 TIP3 3916 84.202 63.975 12.129 1.00 0.00 WT1 H ATOM 13477 OH2 TIP3 3918 72.995 85.562 -14.081 1.00 0.00 WT1 O ATOM 13478 H1 TIP3 3918 72.482 85.583 -14.888 1.00 0.00 WT1 H ATOM 13479 H2 TIP3 3918 72.382 85.250 -13.415 1.00 0.00 WT1 H ATOM 13480 OH2 TIP3 3919 47.675 5.361 -4.627 1.00 0.00 WT1 O ATOM 13481 H1 TIP3 3919 47.821 6.284 -4.417 1.00 0.00 WT1 H ATOM 13482 H2 TIP3 3919 48.298 4.888 -4.075 1.00 0.00 WT1 H ATOM 13483 OH2 TIP3 3924 60.190 36.021 1.871 1.00 0.00 WT1 O ATOM 13484 H1 TIP3 3924 60.025 36.928 2.131 1.00 0.00 WT1 H ATOM 13485 H2 TIP3 3924 60.988 35.779 2.340 1.00 0.00 WT1 H ATOM 13486 OH2 TIP3 3925 31.484 6.526 42.475 1.00 0.00 WT1 O ATOM 13487 H1 TIP3 3925 31.322 6.124 41.622 1.00 0.00 WT1 H ATOM 13488 H2 TIP3 3925 30.875 6.085 43.068 1.00 0.00 WT1 H ATOM 13489 OH2 TIP3 3926 24.755 15.013 31.748 1.00 0.00 WT1 O ATOM 13490 H1 TIP3 3926 23.914 15.148 32.184 1.00 0.00 WT1 H ATOM 13491 H2 TIP3 3926 24.720 14.109 31.434 1.00 0.00 WT1 H ATOM 13492 OH2 TIP3 3928 28.955 67.902 -4.422 1.00 0.00 WT1 O ATOM 13493 H1 TIP3 3928 29.061 68.469 -3.659 1.00 0.00 WT1 H ATOM 13494 H2 TIP3 3928 29.478 68.320 -5.106 1.00 0.00 WT1 H ATOM 13495 OH2 TIP3 3929 24.290 36.151 -18.663 1.00 0.00 WT1 O ATOM 13496 H1 TIP3 3929 25.027 35.688 -18.264 1.00 0.00 WT1 H ATOM 13497 H2 TIP3 3929 23.823 36.541 -17.924 1.00 0.00 WT1 H ATOM 13498 OH2 TIP3 3930 34.040 92.001 20.544 1.00 0.00 WT1 O ATOM 13499 H1 TIP3 3930 33.220 91.512 20.473 1.00 0.00 WT1 H ATOM 13500 H2 TIP3 3930 34.216 92.304 19.653 1.00 0.00 WT1 H ATOM 13501 OH2 TIP3 3931 39.346 0.309 41.560 1.00 0.00 WT1 O ATOM 13502 H1 TIP3 3931 39.367 1.223 41.274 1.00 0.00 WT1 H ATOM 13503 H2 TIP3 3931 38.863 -0.147 40.871 1.00 0.00 WT1 H ATOM 13504 OH2 TIP3 3932 35.293 51.372 22.114 1.00 0.00 WT1 O ATOM 13505 H1 TIP3 3932 35.421 50.530 21.677 1.00 0.00 WT1 H ATOM 13506 H2 TIP3 3932 34.996 51.961 21.421 1.00 0.00 WT1 H ATOM 13507 OH2 TIP3 3933 49.149 45.914 -19.033 1.00 0.00 WT1 O ATOM 13508 H1 TIP3 3933 50.002 45.526 -18.837 1.00 0.00 WT1 H ATOM 13509 H2 TIP3 3933 49.350 46.671 -19.583 1.00 0.00 WT1 H ATOM 13510 OH2 TIP3 3934 72.138 21.729 64.016 1.00 0.00 WT1 O ATOM 13511 H1 TIP3 3934 71.323 21.831 63.524 1.00 0.00 WT1 H ATOM 13512 H2 TIP3 3934 72.610 22.549 63.870 1.00 0.00 WT1 H ATOM 13513 OH2 TIP3 3935 22.114 -0.162 59.104 1.00 0.00 WT1 O ATOM 13514 H1 TIP3 3935 21.846 0.552 59.683 1.00 0.00 WT1 H ATOM 13515 H2 TIP3 3935 22.624 0.266 58.416 1.00 0.00 WT1 H ATOM 13516 OH2 TIP3 3938 60.538 96.286 20.826 1.00 0.00 WT1 O ATOM 13517 H1 TIP3 3938 60.157 95.421 20.977 1.00 0.00 WT1 H ATOM 13518 H2 TIP3 3938 60.061 96.629 20.070 1.00 0.00 WT1 H ATOM 13519 OH2 TIP3 3943 50.687 22.719 50.796 1.00 0.00 WT1 O ATOM 13520 H1 TIP3 3943 50.612 23.066 49.907 1.00 0.00 WT1 H ATOM 13521 H2 TIP3 3943 49.811 22.818 51.167 1.00 0.00 WT1 H ATOM 13522 OH2 TIP3 3949 21.193 58.573 42.740 1.00 0.00 WT1 O ATOM 13523 H1 TIP3 3949 21.416 59.243 42.093 1.00 0.00 WT1 H ATOM 13524 H2 TIP3 3949 20.299 58.786 43.007 1.00 0.00 WT1 H ATOM 13525 OH2 TIP3 3950 61.721 77.040 37.592 1.00 0.00 WT1 O ATOM 13526 H1 TIP3 3950 61.002 76.510 37.248 1.00 0.00 WT1 H ATOM 13527 H2 TIP3 3950 61.821 76.749 38.498 1.00 0.00 WT1 H ATOM 13528 OH2 TIP3 3951 78.151 6.928 -18.976 1.00 0.00 WT1 O ATOM 13529 H1 TIP3 3951 78.945 7.405 -19.216 1.00 0.00 WT1 H ATOM 13530 H2 TIP3 3951 78.431 6.329 -18.284 1.00 0.00 WT1 H ATOM 13531 OH2 TIP3 3953 66.685 88.953 36.876 1.00 0.00 WT1 O ATOM 13532 H1 TIP3 3953 66.703 88.365 37.631 1.00 0.00 WT1 H ATOM 13533 H2 TIP3 3953 66.130 89.682 37.153 1.00 0.00 WT1 H ATOM 13534 OH2 TIP3 3954 56.747 55.451 22.980 1.00 0.00 WT1 O ATOM 13535 H1 TIP3 3954 56.878 55.574 23.921 1.00 0.00 WT1 H ATOM 13536 H2 TIP3 3954 55.806 55.307 22.886 1.00 0.00 WT1 H ATOM 13537 OH2 TIP3 3955 42.866 87.907 58.223 1.00 0.00 WT1 O ATOM 13538 H1 TIP3 3955 42.539 87.067 57.899 1.00 0.00 WT1 H ATOM 13539 H2 TIP3 3955 42.520 87.971 59.113 1.00 0.00 WT1 H ATOM 13540 OH2 TIP3 3956 72.883 87.808 11.299 1.00 0.00 WT1 O ATOM 13541 H1 TIP3 3956 73.179 86.935 11.553 1.00 0.00 WT1 H ATOM 13542 H2 TIP3 3956 72.652 87.723 10.374 1.00 0.00 WT1 H ATOM 13543 OH2 TIP3 3957 67.579 95.211 38.209 1.00 0.00 WT1 O ATOM 13544 H1 TIP3 3957 66.660 95.376 38.422 1.00 0.00 WT1 H ATOM 13545 H2 TIP3 3957 67.562 94.886 37.309 1.00 0.00 WT1 H ATOM 13546 OH2 TIP3 3962 45.276 35.588 35.267 1.00 0.00 WT1 O ATOM 13547 H1 TIP3 3962 46.214 35.775 35.258 1.00 0.00 WT1 H ATOM 13548 H2 TIP3 3962 44.911 36.162 34.594 1.00 0.00 WT1 H ATOM 13549 OH2 TIP3 3964 24.875 91.833 9.540 1.00 0.00 WT1 O ATOM 13550 H1 TIP3 3964 24.578 92.642 9.124 1.00 0.00 WT1 H ATOM 13551 H2 TIP3 3964 24.104 91.505 10.004 1.00 0.00 WT1 H ATOM 13552 OH2 TIP3 3965 26.432 18.142 0.574 1.00 0.00 WT1 O ATOM 13553 H1 TIP3 3965 26.556 19.089 0.506 1.00 0.00 WT1 H ATOM 13554 H2 TIP3 3965 27.316 17.780 0.526 1.00 0.00 WT1 H ATOM 13555 OH2 TIP3 3966 26.364 41.787 31.292 1.00 0.00 WT1 O ATOM 13556 H1 TIP3 3966 26.907 42.439 30.849 1.00 0.00 WT1 H ATOM 13557 H2 TIP3 3966 25.504 41.871 30.879 1.00 0.00 WT1 H ATOM 13558 OH2 TIP3 3967 24.167 58.579 22.949 1.00 0.00 WT1 O ATOM 13559 H1 TIP3 3967 23.907 58.437 22.039 1.00 0.00 WT1 H ATOM 13560 H2 TIP3 3967 25.011 58.134 23.029 1.00 0.00 WT1 H ATOM 13561 OH2 TIP3 3968 23.486 36.260 33.225 1.00 0.00 WT1 O ATOM 13562 H1 TIP3 3968 22.833 35.636 33.541 1.00 0.00 WT1 H ATOM 13563 H2 TIP3 3968 23.198 36.480 32.339 1.00 0.00 WT1 H ATOM 13564 OH2 TIP3 3971 32.247 86.823 47.254 1.00 0.00 WT1 O ATOM 13565 H1 TIP3 3971 32.380 86.056 47.811 1.00 0.00 WT1 H ATOM 13566 H2 TIP3 3971 31.447 87.228 47.589 1.00 0.00 WT1 H ATOM 13567 OH2 TIP3 3972 20.086 71.605 10.431 1.00 0.00 WT1 O ATOM 13568 H1 TIP3 3972 20.934 71.196 10.263 1.00 0.00 WT1 H ATOM 13569 H2 TIP3 3972 19.690 71.065 11.115 1.00 0.00 WT1 H ATOM 13570 OH2 TIP3 3973 53.519 72.373 44.389 1.00 0.00 WT1 O ATOM 13571 H1 TIP3 3973 52.897 72.841 43.832 1.00 0.00 WT1 H ATOM 13572 H2 TIP3 3973 53.108 71.523 44.546 1.00 0.00 WT1 H ATOM 13573 OH2 TIP3 3974 44.269 9.771 -2.005 1.00 0.00 WT1 O ATOM 13574 H1 TIP3 3974 44.024 8.943 -1.592 1.00 0.00 WT1 H ATOM 13575 H2 TIP3 3974 43.453 10.268 -2.049 1.00 0.00 WT1 H ATOM 13576 OH2 TIP3 3975 28.535 92.109 61.140 1.00 0.00 WT1 O ATOM 13577 H1 TIP3 3975 29.003 92.941 61.206 1.00 0.00 WT1 H ATOM 13578 H2 TIP3 3975 27.612 92.345 61.234 1.00 0.00 WT1 H ATOM 13579 OH2 TIP3 3976 27.897 94.141 17.974 1.00 0.00 WT1 O ATOM 13580 H1 TIP3 3976 28.678 94.662 17.791 1.00 0.00 WT1 H ATOM 13581 H2 TIP3 3976 28.224 93.247 18.076 1.00 0.00 WT1 H ATOM 13582 OH2 TIP3 3977 57.277 71.309 4.056 1.00 0.00 WT1 O ATOM 13583 H1 TIP3 3977 56.760 70.645 4.514 1.00 0.00 WT1 H ATOM 13584 H2 TIP3 3977 58.155 71.227 4.428 1.00 0.00 WT1 H ATOM 13585 OH2 TIP3 3978 77.959 28.956 51.057 1.00 0.00 WT1 O ATOM 13586 H1 TIP3 3978 78.383 28.713 51.881 1.00 0.00 WT1 H ATOM 13587 H2 TIP3 3978 78.644 28.858 50.397 1.00 0.00 WT1 H ATOM 13588 OH2 TIP3 3982 88.577 79.189 54.509 1.00 0.00 WT1 O ATOM 13589 H1 TIP3 3982 88.185 78.316 54.512 1.00 0.00 WT1 H ATOM 13590 H2 TIP3 3982 87.908 79.753 54.900 1.00 0.00 WT1 H ATOM 13591 OH2 TIP3 3983 45.286 9.137 17.929 1.00 0.00 WT1 O ATOM 13592 H1 TIP3 3983 44.352 8.957 18.033 1.00 0.00 WT1 H ATOM 13593 H2 TIP3 3983 45.344 10.092 17.892 1.00 0.00 WT1 H ATOM 13594 OH2 TIP3 3985 25.059 28.826 61.259 1.00 0.00 WT1 O ATOM 13595 H1 TIP3 3985 24.624 29.591 61.636 1.00 0.00 WT1 H ATOM 13596 H2 TIP3 3985 25.730 28.592 61.900 1.00 0.00 WT1 H ATOM 13597 OH2 TIP3 3986 39.656 20.830 -10.041 1.00 0.00 WT1 O ATOM 13598 H1 TIP3 3986 39.050 20.152 -10.341 1.00 0.00 WT1 H ATOM 13599 H2 TIP3 3986 40.503 20.388 -9.988 1.00 0.00 WT1 H ATOM 13600 OH2 TIP3 3988 75.371 51.808 49.780 1.00 0.00 WT1 O ATOM 13601 H1 TIP3 3988 74.755 51.388 49.179 1.00 0.00 WT1 H ATOM 13602 H2 TIP3 3988 74.983 52.665 49.960 1.00 0.00 WT1 H ATOM 13603 OH2 TIP3 3989 30.958 23.055 22.620 1.00 0.00 WT1 O ATOM 13604 H1 TIP3 3989 31.085 22.268 22.090 1.00 0.00 WT1 H ATOM 13605 H2 TIP3 3989 30.417 23.626 22.076 1.00 0.00 WT1 H ATOM 13606 OH2 TIP3 3990 35.982 48.694 2.748 1.00 0.00 WT1 O ATOM 13607 H1 TIP3 3990 36.303 49.591 2.847 1.00 0.00 WT1 H ATOM 13608 H2 TIP3 3990 35.727 48.631 1.828 1.00 0.00 WT1 H ATOM 13609 OH2 TIP3 3991 76.514 8.087 -5.957 1.00 0.00 WT1 O ATOM 13610 H1 TIP3 3991 75.673 7.651 -6.096 1.00 0.00 WT1 H ATOM 13611 H2 TIP3 3991 76.404 8.951 -6.354 1.00 0.00 WT1 H ATOM 13612 OH2 TIP3 3992 49.527 0.960 -4.470 1.00 0.00 WT1 O ATOM 13613 H1 TIP3 3992 49.915 0.323 -3.870 1.00 0.00 WT1 H ATOM 13614 H2 TIP3 3992 49.796 0.665 -5.340 1.00 0.00 WT1 H ATOM 13615 OH2 TIP3 3993 33.840 2.006 36.836 1.00 0.00 WT1 O ATOM 13616 H1 TIP3 3993 34.193 1.655 36.019 1.00 0.00 WT1 H ATOM 13617 H2 TIP3 3993 34.450 2.702 37.082 1.00 0.00 WT1 H ATOM 13618 OH2 TIP3 3995 58.443 6.741 46.765 1.00 0.00 WT1 O ATOM 13619 H1 TIP3 3995 57.677 6.337 47.173 1.00 0.00 WT1 H ATOM 13620 H2 TIP3 3995 58.095 7.509 46.311 1.00 0.00 WT1 H ATOM 13621 OH2 TIP3 3996 55.514 60.993 -13.499 1.00 0.00 WT1 O ATOM 13622 H1 TIP3 3996 55.274 61.740 -12.951 1.00 0.00 WT1 H ATOM 13623 H2 TIP3 3996 54.695 60.513 -13.622 1.00 0.00 WT1 H ATOM 13624 OH2 TIP3 3997 44.644 95.813 5.205 1.00 0.00 WT1 O ATOM 13625 H1 TIP3 3997 45.201 95.191 5.673 1.00 0.00 WT1 H ATOM 13626 H2 TIP3 3997 43.871 95.908 5.762 1.00 0.00 WT1 H ATOM 13627 OH2 TIP3 3998 79.911 7.193 0.271 1.00 0.00 WT1 O ATOM 13628 H1 TIP3 3998 79.661 6.285 0.099 1.00 0.00 WT1 H ATOM 13629 H2 TIP3 3998 79.129 7.701 0.055 1.00 0.00 WT1 H ATOM 13630 OH2 TIP3 3999 20.563 33.288 45.132 1.00 0.00 WT1 O ATOM 13631 H1 TIP3 3999 19.771 32.807 45.373 1.00 0.00 WT1 H ATOM 13632 H2 TIP3 3999 20.502 33.389 44.182 1.00 0.00 WT1 H ATOM 13633 OH2 TIP3 4000 21.800 26.789 5.207 1.00 0.00 WT1 O ATOM 13634 H1 TIP3 4000 21.856 26.297 6.026 1.00 0.00 WT1 H ATOM 13635 H2 TIP3 4000 21.040 27.358 5.319 1.00 0.00 WT1 H ATOM 13636 OH2 TIP3 4002 65.299 91.359 9.904 1.00 0.00 WT1 O ATOM 13637 H1 TIP3 4002 65.187 90.793 9.141 1.00 0.00 WT1 H ATOM 13638 H2 TIP3 4002 64.738 90.971 10.576 1.00 0.00 WT1 H ATOM 13639 OH2 TIP3 4004 43.708 95.409 -3.465 1.00 0.00 WT1 O ATOM 13640 H1 TIP3 4004 43.222 95.428 -4.289 1.00 0.00 WT1 H ATOM 13641 H2 TIP3 4004 43.352 94.656 -2.993 1.00 0.00 WT1 H ATOM 13642 OH2 TIP3 4005 23.482 75.339 30.782 1.00 0.00 WT1 O ATOM 13643 H1 TIP3 4005 24.144 74.649 30.741 1.00 0.00 WT1 H ATOM 13644 H2 TIP3 4005 22.717 74.916 31.172 1.00 0.00 WT1 H ATOM 13645 OH2 TIP3 4006 71.764 5.487 3.463 1.00 0.00 WT1 O ATOM 13646 H1 TIP3 4006 72.482 5.042 3.013 1.00 0.00 WT1 H ATOM 13647 H2 TIP3 4006 72.193 6.012 4.139 1.00 0.00 WT1 H ATOM 13648 OH2 TIP3 4007 68.354 95.116 -13.588 1.00 0.00 WT1 O ATOM 13649 H1 TIP3 4007 67.792 94.366 -13.395 1.00 0.00 WT1 H ATOM 13650 H2 TIP3 4007 68.663 95.411 -12.731 1.00 0.00 WT1 H ATOM 13651 OH2 TIP3 4008 56.205 33.823 55.257 1.00 0.00 WT1 O ATOM 13652 H1 TIP3 4008 55.852 34.701 55.109 1.00 0.00 WT1 H ATOM 13653 H2 TIP3 4008 56.400 33.492 54.381 1.00 0.00 WT1 H ATOM 13654 OH2 TIP3 4009 48.834 24.995 -19.120 1.00 0.00 WT1 O ATOM 13655 H1 TIP3 4009 49.765 25.219 -19.141 1.00 0.00 WT1 H ATOM 13656 H2 TIP3 4009 48.384 25.839 -19.165 1.00 0.00 WT1 H ATOM 13657 OH2 TIP3 4010 56.136 3.366 26.324 1.00 0.00 WT1 O ATOM 13658 H1 TIP3 4010 55.216 3.624 26.261 1.00 0.00 WT1 H ATOM 13659 H2 TIP3 4010 56.448 3.783 27.127 1.00 0.00 WT1 H ATOM 13660 OH2 TIP3 4011 28.317 44.451 65.630 1.00 0.00 WT1 O ATOM 13661 H1 TIP3 4011 28.373 45.020 66.398 1.00 0.00 WT1 H ATOM 13662 H2 TIP3 4011 27.378 44.313 65.501 1.00 0.00 WT1 H ATOM 13663 OH2 TIP3 4012 41.019 14.522 30.718 1.00 0.00 WT1 O ATOM 13664 H1 TIP3 4012 41.594 13.769 30.582 1.00 0.00 WT1 H ATOM 13665 H2 TIP3 4012 40.793 14.487 31.647 1.00 0.00 WT1 H ATOM 13666 OH2 TIP3 4013 58.237 86.254 27.443 1.00 0.00 WT1 O ATOM 13667 H1 TIP3 4013 59.032 85.908 27.848 1.00 0.00 WT1 H ATOM 13668 H2 TIP3 4013 57.582 85.569 27.576 1.00 0.00 WT1 H ATOM 13669 OH2 TIP3 4014 75.551 0.622 -0.619 1.00 0.00 WT1 O ATOM 13670 H1 TIP3 4014 74.785 1.022 -0.207 1.00 0.00 WT1 H ATOM 13671 H2 TIP3 4014 75.770 1.210 -1.342 1.00 0.00 WT1 H ATOM 13672 OH2 TIP3 4015 81.971 66.152 61.852 1.00 0.00 WT1 O ATOM 13673 H1 TIP3 4015 81.754 67.079 61.949 1.00 0.00 WT1 H ATOM 13674 H2 TIP3 4015 81.473 65.868 61.086 1.00 0.00 WT1 H ATOM 13675 OH2 TIP3 4016 78.445 9.263 64.411 1.00 0.00 WT1 O ATOM 13676 H1 TIP3 4016 78.565 9.782 63.615 1.00 0.00 WT1 H ATOM 13677 H2 TIP3 4016 77.495 9.197 64.513 1.00 0.00 WT1 H ATOM 13678 OH2 TIP3 4017 35.490 30.655 40.241 1.00 0.00 WT1 O ATOM 13679 H1 TIP3 4017 35.460 31.274 40.971 1.00 0.00 WT1 H ATOM 13680 H2 TIP3 4017 36.207 30.968 39.691 1.00 0.00 WT1 H ATOM 13681 OH2 TIP3 4018 40.452 29.232 21.985 1.00 0.00 WT1 O ATOM 13682 H1 TIP3 4018 40.029 28.668 22.633 1.00 0.00 WT1 H ATOM 13683 H2 TIP3 4018 40.537 30.079 22.422 1.00 0.00 WT1 H ATOM 13684 OH2 TIP3 4019 63.208 0.513 64.239 1.00 0.00 WT1 O ATOM 13685 H1 TIP3 4019 63.668 0.575 65.076 1.00 0.00 WT1 H ATOM 13686 H2 TIP3 4019 62.903 -0.394 64.199 1.00 0.00 WT1 H ATOM 13687 OH2 TIP3 4020 49.096 95.569 28.560 1.00 0.00 WT1 O ATOM 13688 H1 TIP3 4020 48.876 96.462 28.297 1.00 0.00 WT1 H ATOM 13689 H2 TIP3 4020 48.819 95.026 27.821 1.00 0.00 WT1 H ATOM 13690 OH2 TIP3 4021 65.691 19.349 1.691 1.00 0.00 WT1 O ATOM 13691 H1 TIP3 4021 66.540 19.367 2.134 1.00 0.00 WT1 H ATOM 13692 H2 TIP3 4021 65.051 19.434 2.398 1.00 0.00 WT1 H ATOM 13693 OH2 TIP3 4022 35.600 4.007 1.816 1.00 0.00 WT1 O ATOM 13694 H1 TIP3 4022 35.457 3.600 0.962 1.00 0.00 WT1 H ATOM 13695 H2 TIP3 4022 36.521 4.265 1.808 1.00 0.00 WT1 H ATOM 13696 OH2 TIP3 4023 30.333 5.908 49.905 1.00 0.00 WT1 O ATOM 13697 H1 TIP3 4023 29.799 5.264 50.371 1.00 0.00 WT1 H ATOM 13698 H2 TIP3 4023 30.098 5.793 48.984 1.00 0.00 WT1 H ATOM 13699 OH2 TIP3 4025 63.852 80.877 48.884 1.00 0.00 WT1 O ATOM 13700 H1 TIP3 4025 64.381 80.232 49.354 1.00 0.00 WT1 H ATOM 13701 H2 TIP3 4025 63.720 80.493 48.017 1.00 0.00 WT1 H ATOM 13702 OH2 TIP3 4026 47.623 86.567 -8.210 1.00 0.00 WT1 O ATOM 13703 H1 TIP3 4026 48.160 86.004 -7.651 1.00 0.00 WT1 H ATOM 13704 H2 TIP3 4026 47.449 86.037 -8.988 1.00 0.00 WT1 H ATOM 13705 OH2 TIP3 4027 60.196 8.726 48.371 1.00 0.00 WT1 O ATOM 13706 H1 TIP3 4027 59.618 8.866 47.621 1.00 0.00 WT1 H ATOM 13707 H2 TIP3 4027 61.044 8.509 47.984 1.00 0.00 WT1 H ATOM 13708 OH2 TIP3 4028 35.979 32.005 29.894 1.00 0.00 WT1 O ATOM 13709 H1 TIP3 4028 35.095 31.643 29.943 1.00 0.00 WT1 H ATOM 13710 H2 TIP3 4028 35.855 32.952 29.965 1.00 0.00 WT1 H ATOM 13711 OH2 TIP3 4029 42.940 83.890 35.765 1.00 0.00 WT1 O ATOM 13712 H1 TIP3 4029 42.814 83.084 36.265 1.00 0.00 WT1 H ATOM 13713 H2 TIP3 4029 42.658 83.669 34.877 1.00 0.00 WT1 H ATOM 13714 OH2 TIP3 4030 55.311 77.971 -12.543 1.00 0.00 WT1 O ATOM 13715 H1 TIP3 4030 55.723 78.526 -11.879 1.00 0.00 WT1 H ATOM 13716 H2 TIP3 4030 55.904 78.014 -13.293 1.00 0.00 WT1 H ATOM 13717 OH2 TIP3 4031 40.481 60.802 42.185 1.00 0.00 WT1 O ATOM 13718 H1 TIP3 4031 41.348 60.501 41.913 1.00 0.00 WT1 H ATOM 13719 H2 TIP3 4031 40.372 61.647 41.747 1.00 0.00 WT1 H ATOM 13720 OH2 TIP3 4032 79.339 70.132 -11.549 1.00 0.00 WT1 O ATOM 13721 H1 TIP3 4032 79.676 70.926 -11.964 1.00 0.00 WT1 H ATOM 13722 H2 TIP3 4032 78.891 69.665 -12.254 1.00 0.00 WT1 H ATOM 13723 OH2 TIP3 4033 41.753 35.402 -0.308 1.00 0.00 WT1 O ATOM 13724 H1 TIP3 4033 42.448 36.057 -0.368 1.00 0.00 WT1 H ATOM 13725 H2 TIP3 4033 42.058 34.788 0.360 1.00 0.00 WT1 H ATOM 13726 OH2 TIP3 4034 40.726 86.443 55.826 1.00 0.00 WT1 O ATOM 13727 H1 TIP3 4034 41.031 86.338 54.925 1.00 0.00 WT1 H ATOM 13728 H2 TIP3 4034 41.330 85.915 56.348 1.00 0.00 WT1 H ATOM 13729 OH2 TIP3 4035 69.246 1.785 4.525 1.00 0.00 WT1 O ATOM 13730 H1 TIP3 4035 70.140 2.066 4.718 1.00 0.00 WT1 H ATOM 13731 H2 TIP3 4035 68.887 2.485 3.979 1.00 0.00 WT1 H ATOM 13732 OH2 TIP3 4036 34.862 90.624 -14.761 1.00 0.00 WT1 O ATOM 13733 H1 TIP3 4036 35.420 89.850 -14.835 1.00 0.00 WT1 H ATOM 13734 H2 TIP3 4036 34.472 90.557 -13.890 1.00 0.00 WT1 H ATOM 13735 OH2 TIP3 4037 89.973 63.848 34.676 1.00 0.00 WT1 O ATOM 13736 H1 TIP3 4037 90.232 62.984 34.354 1.00 0.00 WT1 H ATOM 13737 H2 TIP3 4037 89.484 64.237 33.951 1.00 0.00 WT1 H ATOM 13738 OH2 TIP3 4039 47.231 81.543 0.017 1.00 0.00 WT1 O ATOM 13739 H1 TIP3 4039 47.221 81.505 -0.939 1.00 0.00 WT1 H ATOM 13740 H2 TIP3 4039 47.696 80.751 0.284 1.00 0.00 WT1 H ATOM 13741 OH2 TIP3 4040 64.411 43.274 49.551 1.00 0.00 WT1 O ATOM 13742 H1 TIP3 4040 64.436 43.849 48.785 1.00 0.00 WT1 H ATOM 13743 H2 TIP3 4040 63.491 43.267 49.815 1.00 0.00 WT1 H ATOM 13744 OH2 TIP3 4041 44.809 6.114 -9.083 1.00 0.00 WT1 O ATOM 13745 H1 TIP3 4041 45.182 5.679 -8.317 1.00 0.00 WT1 H ATOM 13746 H2 TIP3 4041 45.355 5.824 -9.814 1.00 0.00 WT1 H ATOM 13747 OH2 TIP3 4042 59.581 92.305 28.107 1.00 0.00 WT1 O ATOM 13748 H1 TIP3 4042 58.983 91.572 27.962 1.00 0.00 WT1 H ATOM 13749 H2 TIP3 4042 59.708 92.687 27.238 1.00 0.00 WT1 H ATOM 13750 OH2 TIP3 4043 36.431 53.008 10.556 1.00 0.00 WT1 O ATOM 13751 H1 TIP3 4043 36.577 53.656 9.867 1.00 0.00 WT1 H ATOM 13752 H2 TIP3 4043 37.022 53.272 11.262 1.00 0.00 WT1 H ATOM 13753 OH2 TIP3 4044 62.358 88.805 35.165 1.00 0.00 WT1 O ATOM 13754 H1 TIP3 4044 62.721 88.286 35.882 1.00 0.00 WT1 H ATOM 13755 H2 TIP3 4044 62.871 89.613 35.170 1.00 0.00 WT1 H ATOM 13756 OH2 TIP3 4045 85.969 33.462 60.370 1.00 0.00 WT1 O ATOM 13757 H1 TIP3 4045 86.791 33.875 60.103 1.00 0.00 WT1 H ATOM 13758 H2 TIP3 4045 86.188 32.989 61.173 1.00 0.00 WT1 H ATOM 13759 OH2 TIP3 4046 45.054 95.281 55.689 1.00 0.00 WT1 O ATOM 13760 H1 TIP3 4046 45.735 95.264 56.361 1.00 0.00 WT1 H ATOM 13761 H2 TIP3 4046 45.378 94.696 55.004 1.00 0.00 WT1 H ATOM 13762 OH2 TIP3 4049 49.668 96.189 42.293 1.00 0.00 WT1 O ATOM 13763 H1 TIP3 4049 50.442 95.962 41.777 1.00 0.00 WT1 H ATOM 13764 H2 TIP3 4049 49.554 97.129 42.152 1.00 0.00 WT1 H ATOM 13765 OH2 TIP3 4050 48.557 84.468 62.811 1.00 0.00 WT1 O ATOM 13766 H1 TIP3 4050 49.295 83.867 62.707 1.00 0.00 WT1 H ATOM 13767 H2 TIP3 4050 48.783 84.996 63.577 1.00 0.00 WT1 H ATOM 13768 OH2 TIP3 4052 83.933 61.593 62.366 1.00 0.00 WT1 O ATOM 13769 H1 TIP3 4052 82.997 61.414 62.446 1.00 0.00 WT1 H ATOM 13770 H2 TIP3 4052 84.171 62.004 63.197 1.00 0.00 WT1 H ATOM 13771 OH2 TIP3 4053 85.367 14.049 1.980 1.00 0.00 WT1 O ATOM 13772 H1 TIP3 4053 84.454 14.218 2.214 1.00 0.00 WT1 H ATOM 13773 H2 TIP3 4053 85.819 14.871 2.170 1.00 0.00 WT1 H ATOM 13774 OH2 TIP3 4054 78.175 43.679 9.483 1.00 0.00 WT1 O ATOM 13775 H1 TIP3 4054 78.195 44.607 9.717 1.00 0.00 WT1 H ATOM 13776 H2 TIP3 4054 77.335 43.562 9.038 1.00 0.00 WT1 H ATOM 13777 OH2 TIP3 4055 32.867 56.858 61.751 1.00 0.00 WT1 O ATOM 13778 H1 TIP3 4055 33.188 56.724 62.642 1.00 0.00 WT1 H ATOM 13779 H2 TIP3 4055 31.930 57.022 61.855 1.00 0.00 WT1 H ATOM 13780 OH2 TIP3 4056 83.755 30.395 -7.791 1.00 0.00 WT1 O ATOM 13781 H1 TIP3 4056 83.179 29.862 -7.242 1.00 0.00 WT1 H ATOM 13782 H2 TIP3 4056 84.142 29.773 -8.408 1.00 0.00 WT1 H ATOM 13783 OH2 TIP3 4057 70.832 18.445 -13.823 1.00 0.00 WT1 O ATOM 13784 H1 TIP3 4057 69.911 18.255 -14.003 1.00 0.00 WT1 H ATOM 13785 H2 TIP3 4057 70.820 19.292 -13.378 1.00 0.00 WT1 H ATOM 13786 OH2 TIP3 4059 24.014 59.334 -16.143 1.00 0.00 WT1 O ATOM 13787 H1 TIP3 4059 23.890 59.923 -15.399 1.00 0.00 WT1 H ATOM 13788 H2 TIP3 4059 24.892 58.974 -16.020 1.00 0.00 WT1 H ATOM 13789 OH2 TIP3 4060 31.485 51.906 -4.793 1.00 0.00 WT1 O ATOM 13790 H1 TIP3 4060 30.627 51.540 -5.010 1.00 0.00 WT1 H ATOM 13791 H2 TIP3 4060 31.627 51.657 -3.880 1.00 0.00 WT1 H ATOM 13792 OH2 TIP3 4061 20.607 78.280 31.150 1.00 0.00 WT1 O ATOM 13793 H1 TIP3 4061 20.318 77.369 31.100 1.00 0.00 WT1 H ATOM 13794 H2 TIP3 4061 21.222 78.377 30.424 1.00 0.00 WT1 H ATOM 13795 OH2 TIP3 4062 81.320 69.346 61.757 1.00 0.00 WT1 O ATOM 13796 H1 TIP3 4062 80.452 68.973 61.603 1.00 0.00 WT1 H ATOM 13797 H2 TIP3 4062 81.560 69.748 60.923 1.00 0.00 WT1 H ATOM 13798 OH2 TIP3 4064 34.034 15.447 45.376 1.00 0.00 WT1 O ATOM 13799 H1 TIP3 4064 34.818 15.406 44.829 1.00 0.00 WT1 H ATOM 13800 H2 TIP3 4064 34.219 16.137 46.012 1.00 0.00 WT1 H ATOM 13801 OH2 TIP3 4065 85.181 11.590 -16.647 1.00 0.00 WT1 O ATOM 13802 H1 TIP3 4065 84.874 12.280 -17.236 1.00 0.00 WT1 H ATOM 13803 H2 TIP3 4065 85.800 12.030 -16.065 1.00 0.00 WT1 H ATOM 13804 OH2 TIP3 4067 80.432 10.199 1.294 1.00 0.00 WT1 O ATOM 13805 H1 TIP3 4067 79.958 10.988 1.032 1.00 0.00 WT1 H ATOM 13806 H2 TIP3 4067 80.763 9.834 0.474 1.00 0.00 WT1 H ATOM 13807 OH2 TIP3 4068 87.044 42.094 27.519 1.00 0.00 WT1 O ATOM 13808 H1 TIP3 4068 86.360 42.558 27.036 1.00 0.00 WT1 H ATOM 13809 H2 TIP3 4068 87.846 42.580 27.327 1.00 0.00 WT1 H ATOM 13810 OH2 TIP3 4069 58.660 37.349 -11.773 1.00 0.00 WT1 O ATOM 13811 H1 TIP3 4069 59.611 37.380 -11.662 1.00 0.00 WT1 H ATOM 13812 H2 TIP3 4069 58.314 37.362 -10.880 1.00 0.00 WT1 H ATOM 13813 OH2 TIP3 4070 31.146 5.381 16.429 1.00 0.00 WT1 O ATOM 13814 H1 TIP3 4070 31.227 5.815 17.278 1.00 0.00 WT1 H ATOM 13815 H2 TIP3 4070 31.653 4.575 16.522 1.00 0.00 WT1 H ATOM 13816 OH2 TIP3 4071 37.261 91.332 25.795 1.00 0.00 WT1 O ATOM 13817 H1 TIP3 4071 36.494 91.772 25.428 1.00 0.00 WT1 H ATOM 13818 H2 TIP3 4071 37.051 90.400 25.742 1.00 0.00 WT1 H ATOM 13819 OH2 TIP3 4072 54.466 34.980 60.965 1.00 0.00 WT1 O ATOM 13820 H1 TIP3 4072 54.010 35.557 61.578 1.00 0.00 WT1 H ATOM 13821 H2 TIP3 4072 53.884 34.227 60.866 1.00 0.00 WT1 H ATOM 13822 OH2 TIP3 4073 82.812 72.962 58.171 1.00 0.00 WT1 O ATOM 13823 H1 TIP3 4073 83.472 72.760 57.509 1.00 0.00 WT1 H ATOM 13824 H2 TIP3 4073 83.233 73.605 58.742 1.00 0.00 WT1 H ATOM 13825 OH2 TIP3 4074 45.511 6.138 1.982 1.00 0.00 WT1 O ATOM 13826 H1 TIP3 4074 45.192 6.336 2.863 1.00 0.00 WT1 H ATOM 13827 H2 TIP3 4074 44.717 5.993 1.467 1.00 0.00 WT1 H ATOM 13828 OH2 TIP3 4075 56.747 72.409 -1.980 1.00 0.00 WT1 O ATOM 13829 H1 TIP3 4075 57.108 71.656 -2.448 1.00 0.00 WT1 H ATOM 13830 H2 TIP3 4075 57.062 72.307 -1.082 1.00 0.00 WT1 H ATOM 13831 OH2 TIP3 4076 52.205 25.055 63.248 1.00 0.00 WT1 O ATOM 13832 H1 TIP3 4076 51.841 25.212 64.119 1.00 0.00 WT1 H ATOM 13833 H2 TIP3 4076 51.956 25.827 62.741 1.00 0.00 WT1 H ATOM 13834 OH2 TIP3 4077 87.701 22.862 43.884 1.00 0.00 WT1 O ATOM 13835 H1 TIP3 4077 87.714 22.206 43.187 1.00 0.00 WT1 H ATOM 13836 H2 TIP3 4077 87.527 22.363 44.681 1.00 0.00 WT1 H ATOM 13837 OH2 TIP3 4078 21.990 11.652 -3.990 1.00 0.00 WT1 O ATOM 13838 H1 TIP3 4078 21.890 11.356 -3.085 1.00 0.00 WT1 H ATOM 13839 H2 TIP3 4078 22.759 12.222 -3.972 1.00 0.00 WT1 H ATOM 13840 OH2 TIP3 4079 41.137 64.835 58.948 1.00 0.00 WT1 O ATOM 13841 H1 TIP3 4079 41.755 64.195 59.302 1.00 0.00 WT1 H ATOM 13842 H2 TIP3 4079 41.572 65.679 59.064 1.00 0.00 WT1 H ATOM 13843 OH2 TIP3 4081 25.946 2.650 32.088 1.00 0.00 WT1 O ATOM 13844 H1 TIP3 4081 26.289 2.760 31.201 1.00 0.00 WT1 H ATOM 13845 H2 TIP3 4081 24.997 2.733 31.990 1.00 0.00 WT1 H ATOM 13846 OH2 TIP3 4082 23.612 84.937 15.871 1.00 0.00 WT1 O ATOM 13847 H1 TIP3 4082 24.346 85.542 15.979 1.00 0.00 WT1 H ATOM 13848 H2 TIP3 4082 24.004 84.150 15.494 1.00 0.00 WT1 H ATOM 13849 OH2 TIP3 4083 87.188 48.640 -9.403 1.00 0.00 WT1 O ATOM 13850 H1 TIP3 4083 86.553 47.983 -9.117 1.00 0.00 WT1 H ATOM 13851 H2 TIP3 4083 87.542 49.001 -8.590 1.00 0.00 WT1 H ATOM 13852 OH2 TIP3 4084 35.392 82.032 15.143 1.00 0.00 WT1 O ATOM 13853 H1 TIP3 4084 35.947 82.019 15.923 1.00 0.00 WT1 H ATOM 13854 H2 TIP3 4084 36.007 82.038 14.410 1.00 0.00 WT1 H ATOM 13855 OH2 TIP3 4087 29.397 79.663 62.300 1.00 0.00 WT1 O ATOM 13856 H1 TIP3 4087 29.245 78.787 62.654 1.00 0.00 WT1 H ATOM 13857 H2 TIP3 4087 29.917 79.516 61.510 1.00 0.00 WT1 H ATOM 13858 OH2 TIP3 4089 67.148 31.276 19.521 1.00 0.00 WT1 O ATOM 13859 H1 TIP3 4089 67.116 31.006 18.603 1.00 0.00 WT1 H ATOM 13860 H2 TIP3 4089 67.534 32.152 19.500 1.00 0.00 WT1 H ATOM 13861 OH2 TIP3 4090 70.521 93.868 35.278 1.00 0.00 WT1 O ATOM 13862 H1 TIP3 4090 71.465 93.732 35.355 1.00 0.00 WT1 H ATOM 13863 H2 TIP3 4090 70.133 93.141 35.765 1.00 0.00 WT1 H ATOM 13864 OH2 TIP3 4092 58.747 22.626 7.228 1.00 0.00 WT1 O ATOM 13865 H1 TIP3 4092 58.301 23.470 7.165 1.00 0.00 WT1 H ATOM 13866 H2 TIP3 4092 58.099 21.989 6.928 1.00 0.00 WT1 H ATOM 13867 OH2 TIP3 4093 39.491 19.157 63.547 1.00 0.00 WT1 O ATOM 13868 H1 TIP3 4093 39.298 18.613 64.310 1.00 0.00 WT1 H ATOM 13869 H2 TIP3 4093 38.826 18.912 62.903 1.00 0.00 WT1 H ATOM 13870 OH2 TIP3 4095 31.610 36.528 42.610 1.00 0.00 WT1 O ATOM 13871 H1 TIP3 4095 30.995 37.179 42.273 1.00 0.00 WT1 H ATOM 13872 H2 TIP3 4095 32.201 37.025 43.176 1.00 0.00 WT1 H ATOM 13873 OH2 TIP3 4096 65.135 80.921 55.548 1.00 0.00 WT1 O ATOM 13874 H1 TIP3 4096 64.487 80.874 54.846 1.00 0.00 WT1 H ATOM 13875 H2 TIP3 4096 65.513 80.042 55.586 1.00 0.00 WT1 H ATOM 13876 OH2 TIP3 4097 48.021 33.031 17.246 1.00 0.00 WT1 O ATOM 13877 H1 TIP3 4097 47.091 33.256 17.263 1.00 0.00 WT1 H ATOM 13878 H2 TIP3 4097 48.240 32.842 18.159 1.00 0.00 WT1 H ATOM 13879 OH2 TIP3 4098 47.281 36.085 18.631 1.00 0.00 WT1 O ATOM 13880 H1 TIP3 4098 47.446 37.023 18.732 1.00 0.00 WT1 H ATOM 13881 H2 TIP3 4098 48.036 35.664 19.042 1.00 0.00 WT1 H ATOM 13882 OH2 TIP3 4099 53.534 13.876 53.192 1.00 0.00 WT1 O ATOM 13883 H1 TIP3 4099 53.668 14.791 52.943 1.00 0.00 WT1 H ATOM 13884 H2 TIP3 4099 52.591 13.738 53.101 1.00 0.00 WT1 H ATOM 13885 OH2 TIP3 4100 31.742 69.436 54.649 1.00 0.00 WT1 O ATOM 13886 H1 TIP3 4100 32.000 68.586 55.005 1.00 0.00 WT1 H ATOM 13887 H2 TIP3 4100 31.451 69.245 53.757 1.00 0.00 WT1 H ATOM 13888 OH2 TIP3 4101 62.834 20.281 10.420 1.00 0.00 WT1 O ATOM 13889 H1 TIP3 4101 61.922 20.418 10.164 1.00 0.00 WT1 H ATOM 13890 H2 TIP3 4101 63.144 19.585 9.841 1.00 0.00 WT1 H ATOM 13891 OH2 TIP3 4102 30.088 46.972 -18.971 1.00 0.00 WT1 O ATOM 13892 H1 TIP3 4102 30.916 46.793 -18.525 1.00 0.00 WT1 H ATOM 13893 H2 TIP3 4102 29.424 46.560 -18.417 1.00 0.00 WT1 H ATOM 13894 OH2 TIP3 4103 77.409 40.424 -5.946 1.00 0.00 WT1 O ATOM 13895 H1 TIP3 4103 77.126 39.870 -5.219 1.00 0.00 WT1 H ATOM 13896 H2 TIP3 4103 76.987 41.268 -5.782 1.00 0.00 WT1 H ATOM 13897 OH2 TIP3 4104 33.877 20.175 -4.328 1.00 0.00 WT1 O ATOM 13898 H1 TIP3 4104 33.269 19.481 -4.071 1.00 0.00 WT1 H ATOM 13899 H2 TIP3 4104 33.477 20.571 -5.101 1.00 0.00 WT1 H ATOM 13900 OH2 TIP3 4106 21.064 80.543 -15.653 1.00 0.00 WT1 O ATOM 13901 H1 TIP3 4106 20.974 80.380 -16.592 1.00 0.00 WT1 H ATOM 13902 H2 TIP3 4106 20.169 80.514 -15.317 1.00 0.00 WT1 H ATOM 13903 OH2 TIP3 4109 51.391 79.627 24.556 1.00 0.00 WT1 O ATOM 13904 H1 TIP3 4109 51.424 78.831 25.086 1.00 0.00 WT1 H ATOM 13905 H2 TIP3 4109 50.463 79.741 24.352 1.00 0.00 WT1 H ATOM 13906 OH2 TIP3 4110 52.306 26.452 22.831 1.00 0.00 WT1 O ATOM 13907 H1 TIP3 4110 52.412 27.149 22.183 1.00 0.00 WT1 H ATOM 13908 H2 TIP3 4110 51.374 26.466 23.049 1.00 0.00 WT1 H ATOM 13909 OH2 TIP3 4112 47.318 42.634 52.897 1.00 0.00 WT1 O ATOM 13910 H1 TIP3 4112 47.798 43.394 53.227 1.00 0.00 WT1 H ATOM 13911 H2 TIP3 4112 46.699 42.419 53.594 1.00 0.00 WT1 H ATOM 13912 OH2 TIP3 4113 45.620 44.770 9.086 1.00 0.00 WT1 O ATOM 13913 H1 TIP3 4113 46.140 44.204 8.515 1.00 0.00 WT1 H ATOM 13914 H2 TIP3 4113 46.039 45.628 9.019 1.00 0.00 WT1 H ATOM 13915 OH2 TIP3 4114 63.509 52.924 63.301 1.00 0.00 WT1 O ATOM 13916 H1 TIP3 4114 62.673 53.256 62.975 1.00 0.00 WT1 H ATOM 13917 H2 TIP3 4114 63.282 52.439 64.094 1.00 0.00 WT1 H ATOM 13918 OH2 TIP3 4115 23.212 94.254 51.356 1.00 0.00 WT1 O ATOM 13919 H1 TIP3 4115 23.483 93.721 52.103 1.00 0.00 WT1 H ATOM 13920 H2 TIP3 4115 23.536 93.778 50.591 1.00 0.00 WT1 H ATOM 13921 OH2 TIP3 4116 47.252 39.808 63.113 1.00 0.00 WT1 O ATOM 13922 H1 TIP3 4116 48.176 39.563 63.157 1.00 0.00 WT1 H ATOM 13923 H2 TIP3 4116 47.035 39.761 62.182 1.00 0.00 WT1 H ATOM 13924 OH2 TIP3 4117 37.665 23.001 54.344 1.00 0.00 WT1 O ATOM 13925 H1 TIP3 4117 38.188 23.548 53.758 1.00 0.00 WT1 H ATOM 13926 H2 TIP3 4117 37.723 23.437 55.194 1.00 0.00 WT1 H ATOM 13927 OH2 TIP3 4118 67.311 36.962 31.164 1.00 0.00 WT1 O ATOM 13928 H1 TIP3 4118 66.552 37.535 31.272 1.00 0.00 WT1 H ATOM 13929 H2 TIP3 4118 67.928 37.476 30.643 1.00 0.00 WT1 H ATOM 13930 OH2 TIP3 4119 82.155 52.706 -12.103 1.00 0.00 WT1 O ATOM 13931 H1 TIP3 4119 83.044 52.920 -12.384 1.00 0.00 WT1 H ATOM 13932 H2 TIP3 4119 81.989 51.838 -12.469 1.00 0.00 WT1 H ATOM 13933 OH2 TIP3 4120 43.425 27.491 51.830 1.00 0.00 WT1 O ATOM 13934 H1 TIP3 4120 43.220 26.790 52.448 1.00 0.00 WT1 H ATOM 13935 H2 TIP3 4120 43.320 28.296 52.337 1.00 0.00 WT1 H ATOM 13936 OH2 TIP3 4121 78.523 55.675 -17.382 1.00 0.00 WT1 O ATOM 13937 H1 TIP3 4121 79.244 56.025 -16.858 1.00 0.00 WT1 H ATOM 13938 H2 TIP3 4121 78.231 54.900 -16.900 1.00 0.00 WT1 H ATOM 13939 OH2 TIP3 4123 66.819 30.462 8.062 1.00 0.00 WT1 O ATOM 13940 H1 TIP3 4123 67.330 31.037 8.632 1.00 0.00 WT1 H ATOM 13941 H2 TIP3 4123 66.476 31.041 7.381 1.00 0.00 WT1 H ATOM 13942 OH2 TIP3 4125 45.134 31.917 5.004 1.00 0.00 WT1 O ATOM 13943 H1 TIP3 4125 44.907 31.532 5.851 1.00 0.00 WT1 H ATOM 13944 H2 TIP3 4125 45.644 32.697 5.225 1.00 0.00 WT1 H ATOM 13945 OH2 TIP3 4130 30.210 52.954 65.150 1.00 0.00 WT1 O ATOM 13946 H1 TIP3 4130 30.231 52.054 65.475 1.00 0.00 WT1 H ATOM 13947 H2 TIP3 4130 29.983 53.481 65.916 1.00 0.00 WT1 H ATOM 13948 OH2 TIP3 4131 74.307 15.864 0.760 1.00 0.00 WT1 O ATOM 13949 H1 TIP3 4131 73.835 15.531 1.524 1.00 0.00 WT1 H ATOM 13950 H2 TIP3 4131 74.216 15.175 0.102 1.00 0.00 WT1 H ATOM 13951 OH2 TIP3 4132 59.514 6.312 21.459 1.00 0.00 WT1 O ATOM 13952 H1 TIP3 4132 59.928 7.175 21.465 1.00 0.00 WT1 H ATOM 13953 H2 TIP3 4132 59.298 6.156 20.540 1.00 0.00 WT1 H ATOM 13954 OH2 TIP3 4133 69.515 61.540 65.949 1.00 0.00 WT1 O ATOM 13955 H1 TIP3 4133 70.205 62.119 65.624 1.00 0.00 WT1 H ATOM 13956 H2 TIP3 4133 69.964 60.719 66.146 1.00 0.00 WT1 H ATOM 13957 OH2 TIP3 4134 47.664 15.498 -2.892 1.00 0.00 WT1 O ATOM 13958 H1 TIP3 4134 48.540 15.205 -2.639 1.00 0.00 WT1 H ATOM 13959 H2 TIP3 4134 47.090 15.158 -2.205 1.00 0.00 WT1 H ATOM 13960 OH2 TIP3 4135 60.954 33.848 24.132 1.00 0.00 WT1 O ATOM 13961 H1 TIP3 4135 60.227 33.259 23.927 1.00 0.00 WT1 H ATOM 13962 H2 TIP3 4135 61.688 33.264 24.325 1.00 0.00 WT1 H ATOM 13963 OH2 TIP3 4136 66.558 7.645 42.550 1.00 0.00 WT1 O ATOM 13964 H1 TIP3 4136 66.544 8.592 42.412 1.00 0.00 WT1 H ATOM 13965 H2 TIP3 4136 66.196 7.525 43.428 1.00 0.00 WT1 H ATOM 13966 OH2 TIP3 4137 32.581 28.595 48.843 1.00 0.00 WT1 O ATOM 13967 H1 TIP3 4137 31.972 27.967 48.454 1.00 0.00 WT1 H ATOM 13968 H2 TIP3 4137 32.144 29.442 48.751 1.00 0.00 WT1 H ATOM 13969 OH2 TIP3 4138 33.009 17.493 -0.858 1.00 0.00 WT1 O ATOM 13970 H1 TIP3 4138 33.458 18.336 -0.793 1.00 0.00 WT1 H ATOM 13971 H2 TIP3 4138 33.708 16.862 -1.028 1.00 0.00 WT1 H ATOM 13972 OH2 TIP3 4139 51.325 85.254 -2.644 1.00 0.00 WT1 O ATOM 13973 H1 TIP3 4139 50.893 84.959 -1.842 1.00 0.00 WT1 H ATOM 13974 H2 TIP3 4139 51.761 84.473 -2.983 1.00 0.00 WT1 H ATOM 13975 OH2 TIP3 4140 63.509 22.288 59.505 1.00 0.00 WT1 O ATOM 13976 H1 TIP3 4140 62.637 22.159 59.879 1.00 0.00 WT1 H ATOM 13977 H2 TIP3 4140 63.564 21.645 58.799 1.00 0.00 WT1 H ATOM 13978 OH2 TIP3 4141 83.850 26.944 2.963 1.00 0.00 WT1 O ATOM 13979 H1 TIP3 4141 84.505 26.295 3.220 1.00 0.00 WT1 H ATOM 13980 H2 TIP3 4141 84.055 27.145 2.050 1.00 0.00 WT1 H ATOM 13981 OH2 TIP3 4142 69.380 40.243 49.854 1.00 0.00 WT1 O ATOM 13982 H1 TIP3 4142 70.262 40.456 50.157 1.00 0.00 WT1 H ATOM 13983 H2 TIP3 4142 68.800 40.648 50.499 1.00 0.00 WT1 H ATOM 13984 OH2 TIP3 4143 79.584 14.639 65.833 1.00 0.00 WT1 O ATOM 13985 H1 TIP3 4143 79.476 14.005 66.542 1.00 0.00 WT1 H ATOM 13986 H2 TIP3 4143 79.892 15.434 66.267 1.00 0.00 WT1 H ATOM 13987 OH2 TIP3 4144 71.014 29.688 9.197 1.00 0.00 WT1 O ATOM 13988 H1 TIP3 4144 71.875 30.105 9.244 1.00 0.00 WT1 H ATOM 13989 H2 TIP3 4144 71.183 28.834 8.797 1.00 0.00 WT1 H ATOM 13990 OH2 TIP3 4145 28.522 95.145 45.039 1.00 0.00 WT1 O ATOM 13991 H1 TIP3 4145 29.455 95.283 45.200 1.00 0.00 WT1 H ATOM 13992 H2 TIP3 4145 28.457 95.030 44.091 1.00 0.00 WT1 H ATOM 13993 OH2 TIP3 4147 26.046 4.852 47.458 1.00 0.00 WT1 O ATOM 13994 H1 TIP3 4147 26.758 4.350 47.854 1.00 0.00 WT1 H ATOM 13995 H2 TIP3 4147 26.427 5.712 47.281 1.00 0.00 WT1 H ATOM 13996 OH2 TIP3 4151 22.667 82.351 -4.010 1.00 0.00 WT1 O ATOM 13997 H1 TIP3 4151 21.730 82.198 -4.130 1.00 0.00 WT1 H ATOM 13998 H2 TIP3 4151 22.877 81.916 -3.183 1.00 0.00 WT1 H ATOM 13999 OH2 TIP3 4153 37.268 75.669 54.133 1.00 0.00 WT1 O ATOM 14000 H1 TIP3 4153 37.283 76.507 53.670 1.00 0.00 WT1 H ATOM 14001 H2 TIP3 4153 37.922 75.135 53.682 1.00 0.00 WT1 H ATOM 14002 OH2 TIP3 4154 54.383 49.792 49.589 1.00 0.00 WT1 O ATOM 14003 H1 TIP3 4154 54.887 50.519 49.223 1.00 0.00 WT1 H ATOM 14004 H2 TIP3 4154 54.357 49.140 48.888 1.00 0.00 WT1 H ATOM 14005 OH2 TIP3 4155 49.102 62.633 -20.045 1.00 0.00 WT1 O ATOM 14006 H1 TIP3 4155 48.614 63.081 -19.354 1.00 0.00 WT1 H ATOM 14007 H2 TIP3 4155 49.386 63.334 -20.631 1.00 0.00 WT1 H ATOM 14008 OH2 TIP3 4156 76.528 86.072 23.303 1.00 0.00 WT1 O ATOM 14009 H1 TIP3 4156 77.183 86.449 23.891 1.00 0.00 WT1 H ATOM 14010 H2 TIP3 4156 76.997 85.381 22.834 1.00 0.00 WT1 H ATOM 14011 OH2 TIP3 4157 79.107 23.663 -17.653 1.00 0.00 WT1 O ATOM 14012 H1 TIP3 4157 79.234 23.349 -16.757 1.00 0.00 WT1 H ATOM 14013 H2 TIP3 4157 78.157 23.683 -17.767 1.00 0.00 WT1 H ATOM 14014 OH2 TIP3 4158 23.253 5.651 -10.052 1.00 0.00 WT1 O ATOM 14015 H1 TIP3 4158 22.368 5.659 -10.418 1.00 0.00 WT1 H ATOM 14016 H2 TIP3 4158 23.327 4.799 -9.623 1.00 0.00 WT1 H ATOM 14017 OH2 TIP3 4159 80.558 43.427 -6.105 1.00 0.00 WT1 O ATOM 14018 H1 TIP3 4159 80.661 44.059 -5.394 1.00 0.00 WT1 H ATOM 14019 H2 TIP3 4159 79.801 43.742 -6.598 1.00 0.00 WT1 H ATOM 14020 OH2 TIP3 4160 34.359 24.304 49.140 1.00 0.00 WT1 O ATOM 14021 H1 TIP3 4160 34.814 23.880 48.413 1.00 0.00 WT1 H ATOM 14022 H2 TIP3 4160 33.446 24.036 49.043 1.00 0.00 WT1 H ATOM 14023 OH2 TIP3 4161 48.773 88.804 64.314 1.00 0.00 WT1 O ATOM 14024 H1 TIP3 4161 49.490 89.025 64.909 1.00 0.00 WT1 H ATOM 14025 H2 TIP3 4161 49.119 88.991 63.441 1.00 0.00 WT1 H ATOM 14026 OH2 TIP3 4162 24.249 67.926 -10.288 1.00 0.00 WT1 O ATOM 14027 H1 TIP3 4162 24.333 67.453 -11.116 1.00 0.00 WT1 H ATOM 14028 H2 TIP3 4162 24.884 67.507 -9.707 1.00 0.00 WT1 H ATOM 14029 OH2 TIP3 4164 84.368 47.343 20.138 1.00 0.00 WT1 O ATOM 14030 H1 TIP3 4164 85.245 47.662 19.927 1.00 0.00 WT1 H ATOM 14031 H2 TIP3 4164 83.801 48.105 20.019 1.00 0.00 WT1 H ATOM 14032 OH2 TIP3 4165 53.333 22.421 19.755 1.00 0.00 WT1 O ATOM 14033 H1 TIP3 4165 53.995 23.104 19.858 1.00 0.00 WT1 H ATOM 14034 H2 TIP3 4165 52.716 22.779 19.117 1.00 0.00 WT1 H ATOM 14035 OH2 TIP3 4166 59.594 26.998 17.118 1.00 0.00 WT1 O ATOM 14036 H1 TIP3 4166 59.041 26.545 17.755 1.00 0.00 WT1 H ATOM 14037 H2 TIP3 4166 59.273 27.900 17.122 1.00 0.00 WT1 H ATOM 14038 OH2 TIP3 4167 48.452 8.096 7.989 1.00 0.00 WT1 O ATOM 14039 H1 TIP3 4167 47.943 7.518 8.557 1.00 0.00 WT1 H ATOM 14040 H2 TIP3 4167 48.914 7.503 7.396 1.00 0.00 WT1 H ATOM 14041 OH2 TIP3 4169 47.912 37.241 57.608 1.00 0.00 WT1 O ATOM 14042 H1 TIP3 4169 48.489 37.611 58.276 1.00 0.00 WT1 H ATOM 14043 H2 TIP3 4169 48.111 37.741 56.816 1.00 0.00 WT1 H ATOM 14044 OH2 TIP3 4173 22.370 55.391 35.828 1.00 0.00 WT1 O ATOM 14045 H1 TIP3 4173 21.989 55.360 36.706 1.00 0.00 WT1 H ATOM 14046 H2 TIP3 4173 22.134 54.551 35.434 1.00 0.00 WT1 H ATOM 14047 OH2 TIP3 4174 44.559 26.824 43.526 1.00 0.00 WT1 O ATOM 14048 H1 TIP3 4174 43.812 27.364 43.783 1.00 0.00 WT1 H ATOM 14049 H2 TIP3 4174 45.222 27.452 43.238 1.00 0.00 WT1 H ATOM 14050 OH2 TIP3 4175 82.022 76.904 15.777 1.00 0.00 WT1 O ATOM 14051 H1 TIP3 4175 82.411 77.411 16.490 1.00 0.00 WT1 H ATOM 14052 H2 TIP3 4175 82.701 76.274 15.533 1.00 0.00 WT1 H ATOM 14053 OH2 TIP3 4177 32.869 2.739 -15.422 1.00 0.00 WT1 O ATOM 14054 H1 TIP3 4177 33.169 1.871 -15.691 1.00 0.00 WT1 H ATOM 14055 H2 TIP3 4177 32.788 2.681 -14.470 1.00 0.00 WT1 H ATOM 14056 OH2 TIP3 4178 80.492 76.237 38.981 1.00 0.00 WT1 O ATOM 14057 H1 TIP3 4178 81.042 76.596 38.285 1.00 0.00 WT1 H ATOM 14058 H2 TIP3 4178 80.223 77.000 39.492 1.00 0.00 WT1 H ATOM 14059 OH2 TIP3 4180 41.492 54.217 41.390 1.00 0.00 WT1 O ATOM 14060 H1 TIP3 4180 41.465 54.564 40.498 1.00 0.00 WT1 H ATOM 14061 H2 TIP3 4180 42.037 53.433 41.326 1.00 0.00 WT1 H ATOM 14062 OH2 TIP3 4181 79.992 49.167 -3.672 1.00 0.00 WT1 O ATOM 14063 H1 TIP3 4181 79.383 48.918 -2.976 1.00 0.00 WT1 H ATOM 14064 H2 TIP3 4181 79.663 50.008 -3.989 1.00 0.00 WT1 H ATOM 14065 OH2 TIP3 4182 48.870 50.250 7.791 1.00 0.00 WT1 O ATOM 14066 H1 TIP3 4182 49.044 49.592 8.463 1.00 0.00 WT1 H ATOM 14067 H2 TIP3 4182 49.709 50.692 7.664 1.00 0.00 WT1 H ATOM 14068 OH2 TIP3 4183 85.280 21.933 -3.318 1.00 0.00 WT1 O ATOM 14069 H1 TIP3 4183 85.142 22.547 -2.597 1.00 0.00 WT1 H ATOM 14070 H2 TIP3 4183 84.820 21.138 -3.049 1.00 0.00 WT1 H ATOM 14071 OH2 TIP3 4184 65.053 61.254 19.885 1.00 0.00 WT1 O ATOM 14072 H1 TIP3 4184 64.182 60.859 19.854 1.00 0.00 WT1 H ATOM 14073 H2 TIP3 4184 65.652 60.509 19.938 1.00 0.00 WT1 H ATOM 14074 OH2 TIP3 4186 73.231 23.905 -13.141 1.00 0.00 WT1 O ATOM 14075 H1 TIP3 4186 74.091 24.123 -12.779 1.00 0.00 WT1 H ATOM 14076 H2 TIP3 4186 73.385 23.804 -14.080 1.00 0.00 WT1 H ATOM 14077 OH2 TIP3 4187 42.550 54.680 9.230 1.00 0.00 WT1 O ATOM 14078 H1 TIP3 4187 43.318 54.280 8.822 1.00 0.00 WT1 H ATOM 14079 H2 TIP3 4187 42.898 55.143 9.993 1.00 0.00 WT1 H ATOM 14080 OH2 TIP3 4189 71.717 25.597 4.026 1.00 0.00 WT1 O ATOM 14081 H1 TIP3 4189 71.531 25.795 4.943 1.00 0.00 WT1 H ATOM 14082 H2 TIP3 4189 71.796 24.643 3.997 1.00 0.00 WT1 H ATOM 14083 OH2 TIP3 4191 37.351 20.921 -19.986 1.00 0.00 WT1 O ATOM 14084 H1 TIP3 4191 38.245 20.608 -19.844 1.00 0.00 WT1 H ATOM 14085 H2 TIP3 4191 36.829 20.459 -19.330 1.00 0.00 WT1 H ATOM 14086 OH2 TIP3 4192 83.089 97.079 38.860 1.00 0.00 WT1 O ATOM 14087 H1 TIP3 4192 82.240 96.637 38.835 1.00 0.00 WT1 H ATOM 14088 H2 TIP3 4192 83.730 96.368 38.865 1.00 0.00 WT1 H ATOM 14089 OH2 TIP3 4194 28.680 26.128 -17.745 1.00 0.00 WT1 O ATOM 14090 H1 TIP3 4194 28.855 27.034 -18.002 1.00 0.00 WT1 H ATOM 14091 H2 TIP3 4194 28.421 26.185 -16.825 1.00 0.00 WT1 H ATOM 14092 OH2 TIP3 4196 79.443 36.485 30.920 1.00 0.00 WT1 O ATOM 14093 H1 TIP3 4196 78.789 36.081 31.490 1.00 0.00 WT1 H ATOM 14094 H2 TIP3 4196 80.281 36.286 31.338 1.00 0.00 WT1 H ATOM 14095 OH2 TIP3 4197 57.433 6.407 29.398 1.00 0.00 WT1 O ATOM 14096 H1 TIP3 4197 58.184 6.604 28.838 1.00 0.00 WT1 H ATOM 14097 H2 TIP3 4197 57.158 5.530 29.130 1.00 0.00 WT1 H ATOM 14098 OH2 TIP3 4198 61.751 16.451 -2.526 1.00 0.00 WT1 O ATOM 14099 H1 TIP3 4198 60.993 16.753 -2.025 1.00 0.00 WT1 H ATOM 14100 H2 TIP3 4198 62.435 16.319 -1.870 1.00 0.00 WT1 H ATOM 14101 OH2 TIP3 4199 60.327 24.501 36.745 1.00 0.00 WT1 O ATOM 14102 H1 TIP3 4199 59.561 24.989 36.440 1.00 0.00 WT1 H ATOM 14103 H2 TIP3 4199 60.992 24.657 36.075 1.00 0.00 WT1 H ATOM 14104 OH2 TIP3 4200 30.319 70.533 -4.131 1.00 0.00 WT1 O ATOM 14105 H1 TIP3 4200 31.241 70.638 -4.363 1.00 0.00 WT1 H ATOM 14106 H2 TIP3 4200 30.333 70.193 -3.237 1.00 0.00 WT1 H ATOM 14107 OH2 TIP3 4201 57.503 7.731 63.318 1.00 0.00 WT1 O ATOM 14108 H1 TIP3 4201 57.747 7.230 62.539 1.00 0.00 WT1 H ATOM 14109 H2 TIP3 4201 56.791 7.228 63.713 1.00 0.00 WT1 H ATOM 14110 OH2 TIP3 4202 41.760 21.048 -15.051 1.00 0.00 WT1 O ATOM 14111 H1 TIP3 4202 42.057 20.210 -14.696 1.00 0.00 WT1 H ATOM 14112 H2 TIP3 4202 40.806 21.011 -14.990 1.00 0.00 WT1 H ATOM 14113 OH2 TIP3 4204 22.523 37.970 62.998 1.00 0.00 WT1 O ATOM 14114 H1 TIP3 4204 22.712 38.880 63.227 1.00 0.00 WT1 H ATOM 14115 H2 TIP3 4204 23.356 37.627 62.673 1.00 0.00 WT1 H ATOM 14116 OH2 TIP3 4205 39.798 46.939 -15.462 1.00 0.00 WT1 O ATOM 14117 H1 TIP3 4205 40.399 47.663 -15.636 1.00 0.00 WT1 H ATOM 14118 H2 TIP3 4205 39.883 46.367 -16.225 1.00 0.00 WT1 H ATOM 14119 OH2 TIP3 4207 25.954 28.300 11.692 1.00 0.00 WT1 O ATOM 14120 H1 TIP3 4207 26.138 28.593 12.584 1.00 0.00 WT1 H ATOM 14121 H2 TIP3 4207 25.376 28.972 11.332 1.00 0.00 WT1 H ATOM 14122 OH2 TIP3 4209 75.467 47.813 -9.943 1.00 0.00 WT1 O ATOM 14123 H1 TIP3 4209 74.659 48.147 -10.332 1.00 0.00 WT1 H ATOM 14124 H2 TIP3 4209 75.348 47.936 -9.001 1.00 0.00 WT1 H ATOM 14125 OH2 TIP3 4217 42.364 11.468 24.930 1.00 0.00 WT1 O ATOM 14126 H1 TIP3 4217 42.955 11.180 24.235 1.00 0.00 WT1 H ATOM 14127 H2 TIP3 4217 42.474 12.419 24.960 1.00 0.00 WT1 H ATOM 14128 OH2 TIP3 4218 51.724 28.076 4.750 1.00 0.00 WT1 O ATOM 14129 H1 TIP3 4218 52.340 27.409 4.446 1.00 0.00 WT1 H ATOM 14130 H2 TIP3 4218 50.910 27.881 4.285 1.00 0.00 WT1 H ATOM 14131 OH2 TIP3 4219 48.226 64.620 50.322 1.00 0.00 WT1 O ATOM 14132 H1 TIP3 4219 47.619 64.626 49.582 1.00 0.00 WT1 H ATOM 14133 H2 TIP3 4219 48.361 65.544 50.530 1.00 0.00 WT1 H ATOM 14134 OH2 TIP3 4220 31.084 8.907 29.675 1.00 0.00 WT1 O ATOM 14135 H1 TIP3 4220 30.208 8.813 30.048 1.00 0.00 WT1 H ATOM 14136 H2 TIP3 4220 31.026 9.684 29.118 1.00 0.00 WT1 H ATOM 14137 OH2 TIP3 4221 71.941 5.770 49.955 1.00 0.00 WT1 O ATOM 14138 H1 TIP3 4221 72.823 5.889 49.602 1.00 0.00 WT1 H ATOM 14139 H2 TIP3 4221 71.542 6.639 49.901 1.00 0.00 WT1 H ATOM 14140 OH2 TIP3 4222 60.786 25.907 -3.884 1.00 0.00 WT1 O ATOM 14141 H1 TIP3 4222 60.960 25.371 -3.110 1.00 0.00 WT1 H ATOM 14142 H2 TIP3 4222 59.925 26.292 -3.720 1.00 0.00 WT1 H ATOM 14143 OH2 TIP3 4223 50.084 57.603 49.641 1.00 0.00 WT1 O ATOM 14144 H1 TIP3 4223 50.767 58.256 49.796 1.00 0.00 WT1 H ATOM 14145 H2 TIP3 4223 50.530 56.895 49.176 1.00 0.00 WT1 H ATOM 14146 OH2 TIP3 4224 64.789 54.327 60.980 1.00 0.00 WT1 O ATOM 14147 H1 TIP3 4224 64.091 54.448 60.337 1.00 0.00 WT1 H ATOM 14148 H2 TIP3 4224 64.337 54.046 61.776 1.00 0.00 WT1 H ATOM 14149 OH2 TIP3 4225 65.386 26.548 1.399 1.00 0.00 WT1 O ATOM 14150 H1 TIP3 4225 65.232 27.492 1.444 1.00 0.00 WT1 H ATOM 14151 H2 TIP3 4225 65.652 26.391 0.493 1.00 0.00 WT1 H ATOM 14152 OH2 TIP3 4226 55.066 26.260 -4.760 1.00 0.00 WT1 O ATOM 14153 H1 TIP3 4226 54.120 26.141 -4.842 1.00 0.00 WT1 H ATOM 14154 H2 TIP3 4226 55.173 27.182 -4.529 1.00 0.00 WT1 H ATOM 14155 OH2 TIP3 4227 39.342 42.936 -0.927 1.00 0.00 WT1 O ATOM 14156 H1 TIP3 4227 39.907 43.656 -1.210 1.00 0.00 WT1 H ATOM 14157 H2 TIP3 4227 39.725 42.640 -0.102 1.00 0.00 WT1 H ATOM 14158 OH2 TIP3 4228 42.896 73.174 -13.825 1.00 0.00 WT1 O ATOM 14159 H1 TIP3 4228 42.462 73.042 -14.669 1.00 0.00 WT1 H ATOM 14160 H2 TIP3 4228 42.188 73.415 -13.227 1.00 0.00 WT1 H ATOM 14161 OH2 TIP3 4229 76.458 13.294 54.964 1.00 0.00 WT1 O ATOM 14162 H1 TIP3 4229 75.699 12.950 54.494 1.00 0.00 WT1 H ATOM 14163 H2 TIP3 4229 76.098 13.963 55.546 1.00 0.00 WT1 H ATOM 14164 OH2 TIP3 4231 27.755 17.232 45.204 1.00 0.00 WT1 O ATOM 14165 H1 TIP3 4231 27.510 16.317 45.343 1.00 0.00 WT1 H ATOM 14166 H2 TIP3 4231 27.194 17.525 44.486 1.00 0.00 WT1 H ATOM 14167 OH2 TIP3 4232 65.720 15.694 25.190 1.00 0.00 WT1 O ATOM 14168 H1 TIP3 4232 65.698 16.563 24.788 1.00 0.00 WT1 H ATOM 14169 H2 TIP3 4232 65.171 15.778 25.970 1.00 0.00 WT1 H ATOM 14170 OH2 TIP3 4234 32.390 29.826 -6.217 1.00 0.00 WT1 O ATOM 14171 H1 TIP3 4234 32.373 30.495 -6.900 1.00 0.00 WT1 H ATOM 14172 H2 TIP3 4234 33.264 29.897 -5.833 1.00 0.00 WT1 H ATOM 14173 OH2 TIP3 4239 20.817 5.264 -11.207 1.00 0.00 WT1 O ATOM 14174 H1 TIP3 4239 19.919 5.542 -11.390 1.00 0.00 WT1 H ATOM 14175 H2 TIP3 4239 20.752 4.319 -11.069 1.00 0.00 WT1 H ATOM 14176 OH2 TIP3 4240 45.105 55.977 45.805 1.00 0.00 WT1 O ATOM 14177 H1 TIP3 4240 44.314 55.740 45.321 1.00 0.00 WT1 H ATOM 14178 H2 TIP3 4240 45.312 56.862 45.507 1.00 0.00 WT1 H ATOM 14179 OH2 TIP3 4241 55.788 21.827 60.898 1.00 0.00 WT1 O ATOM 14180 H1 TIP3 4241 55.540 20.952 60.599 1.00 0.00 WT1 H ATOM 14181 H2 TIP3 4241 55.731 21.780 61.852 1.00 0.00 WT1 H ATOM 14182 OH2 TIP3 4243 56.262 3.501 -7.166 1.00 0.00 WT1 O ATOM 14183 H1 TIP3 4243 56.713 3.287 -6.350 1.00 0.00 WT1 H ATOM 14184 H2 TIP3 4243 55.964 2.656 -7.504 1.00 0.00 WT1 H ATOM 14185 OH2 TIP3 4245 53.598 37.007 -11.393 1.00 0.00 WT1 O ATOM 14186 H1 TIP3 4245 54.220 37.175 -10.686 1.00 0.00 WT1 H ATOM 14187 H2 TIP3 4245 52.738 37.142 -10.995 1.00 0.00 WT1 H ATOM 14188 OH2 TIP3 4246 22.248 91.295 48.058 1.00 0.00 WT1 O ATOM 14189 H1 TIP3 4246 22.315 92.247 47.983 1.00 0.00 WT1 H ATOM 14190 H2 TIP3 4246 22.888 90.960 47.430 1.00 0.00 WT1 H ATOM 14191 OH2 TIP3 4247 61.317 75.897 -12.460 1.00 0.00 WT1 O ATOM 14192 H1 TIP3 4247 61.740 75.453 -11.725 1.00 0.00 WT1 H ATOM 14193 H2 TIP3 4247 61.931 76.589 -12.708 1.00 0.00 WT1 H ATOM 14194 OH2 TIP3 4249 63.235 27.908 46.516 1.00 0.00 WT1 O ATOM 14195 H1 TIP3 4249 62.525 28.547 46.571 1.00 0.00 WT1 H ATOM 14196 H2 TIP3 4249 62.921 27.253 45.892 1.00 0.00 WT1 H ATOM 14197 OH2 TIP3 4251 85.429 17.990 3.127 1.00 0.00 WT1 O ATOM 14198 H1 TIP3 4251 85.446 17.559 2.273 1.00 0.00 WT1 H ATOM 14199 H2 TIP3 4251 85.701 17.311 3.745 1.00 0.00 WT1 H ATOM 14200 OH2 TIP3 4255 50.996 42.616 24.040 1.00 0.00 WT1 O ATOM 14201 H1 TIP3 4255 50.764 43.392 23.530 1.00 0.00 WT1 H ATOM 14202 H2 TIP3 4255 51.927 42.482 23.864 1.00 0.00 WT1 H ATOM 14203 OH2 TIP3 4258 53.920 40.946 37.800 1.00 0.00 WT1 O ATOM 14204 H1 TIP3 4258 53.428 41.754 37.654 1.00 0.00 WT1 H ATOM 14205 H2 TIP3 4258 53.731 40.408 37.031 1.00 0.00 WT1 H ATOM 14206 OH2 TIP3 4259 38.704 45.559 45.462 1.00 0.00 WT1 O ATOM 14207 H1 TIP3 4259 37.997 46.202 45.503 1.00 0.00 WT1 H ATOM 14208 H2 TIP3 4259 39.241 45.742 46.233 1.00 0.00 WT1 H ATOM 14209 OH2 TIP3 4261 74.917 39.336 16.811 1.00 0.00 WT1 O ATOM 14210 H1 TIP3 4261 74.931 39.773 15.959 1.00 0.00 WT1 H ATOM 14211 H2 TIP3 4261 75.068 38.413 16.609 1.00 0.00 WT1 H ATOM 14212 OH2 TIP3 4262 81.640 32.365 2.479 1.00 0.00 WT1 O ATOM 14213 H1 TIP3 4262 82.056 32.651 3.292 1.00 0.00 WT1 H ATOM 14214 H2 TIP3 4262 81.188 31.554 2.712 1.00 0.00 WT1 H ATOM 14215 OH2 TIP3 4263 21.489 85.160 36.609 1.00 0.00 WT1 O ATOM 14216 H1 TIP3 4263 20.911 85.202 35.847 1.00 0.00 WT1 H ATOM 14217 H2 TIP3 4263 20.903 84.983 37.345 1.00 0.00 WT1 H ATOM 14218 OH2 TIP3 4264 52.609 37.337 38.894 1.00 0.00 WT1 O ATOM 14219 H1 TIP3 4264 51.978 37.346 38.175 1.00 0.00 WT1 H ATOM 14220 H2 TIP3 4264 53.328 36.791 38.577 1.00 0.00 WT1 H ATOM 14221 OH2 TIP3 4266 81.926 62.302 -19.119 1.00 0.00 WT1 O ATOM 14222 H1 TIP3 4266 82.374 61.467 -18.983 1.00 0.00 WT1 H ATOM 14223 H2 TIP3 4266 82.532 62.958 -18.772 1.00 0.00 WT1 H ATOM 14224 OH2 TIP3 4267 49.900 19.712 -2.128 1.00 0.00 WT1 O ATOM 14225 H1 TIP3 4267 50.479 20.254 -1.592 1.00 0.00 WT1 H ATOM 14226 H2 TIP3 4267 49.075 19.690 -1.643 1.00 0.00 WT1 H ATOM 14227 OH2 TIP3 4268 61.764 92.300 13.894 1.00 0.00 WT1 O ATOM 14228 H1 TIP3 4268 61.328 91.711 14.509 1.00 0.00 WT1 H ATOM 14229 H2 TIP3 4268 61.223 92.265 13.104 1.00 0.00 WT1 H ATOM 14230 OH2 TIP3 4269 83.314 35.681 5.981 1.00 0.00 WT1 O ATOM 14231 H1 TIP3 4269 84.035 36.301 6.095 1.00 0.00 WT1 H ATOM 14232 H2 TIP3 4269 82.547 36.139 6.323 1.00 0.00 WT1 H ATOM 14233 OH2 TIP3 4273 53.099 6.237 -20.018 1.00 0.00 WT1 O ATOM 14234 H1 TIP3 4273 54.019 6.458 -20.164 1.00 0.00 WT1 H ATOM 14235 H2 TIP3 4273 53.056 5.986 -19.095 1.00 0.00 WT1 H ATOM 14236 OH2 TIP3 4279 33.017 32.497 6.187 1.00 0.00 WT1 O ATOM 14237 H1 TIP3 4279 33.820 31.977 6.231 1.00 0.00 WT1 H ATOM 14238 H2 TIP3 4279 32.935 32.733 5.263 1.00 0.00 WT1 H ATOM 14239 OH2 TIP3 4282 46.609 34.839 53.668 1.00 0.00 WT1 O ATOM 14240 H1 TIP3 4282 46.636 35.785 53.526 1.00 0.00 WT1 H ATOM 14241 H2 TIP3 4282 46.542 34.740 54.618 1.00 0.00 WT1 H ATOM 14242 OH2 TIP3 4283 77.505 50.381 48.509 1.00 0.00 WT1 O ATOM 14243 H1 TIP3 4283 76.757 50.725 48.996 1.00 0.00 WT1 H ATOM 14244 H2 TIP3 4283 77.717 51.068 47.877 1.00 0.00 WT1 H ATOM 14245 OH2 TIP3 4284 68.232 67.007 50.296 1.00 0.00 WT1 O ATOM 14246 H1 TIP3 4284 67.962 66.307 49.701 1.00 0.00 WT1 H ATOM 14247 H2 TIP3 4284 69.132 66.784 50.536 1.00 0.00 WT1 H ATOM 14248 OH2 TIP3 4286 46.993 5.729 50.181 1.00 0.00 WT1 O ATOM 14249 H1 TIP3 4286 47.148 5.040 50.827 1.00 0.00 WT1 H ATOM 14250 H2 TIP3 4286 46.384 6.329 50.612 1.00 0.00 WT1 H ATOM 14251 OH2 TIP3 4287 64.772 69.400 -15.005 1.00 0.00 WT1 O ATOM 14252 H1 TIP3 4287 64.130 68.702 -15.135 1.00 0.00 WT1 H ATOM 14253 H2 TIP3 4287 64.483 69.846 -14.209 1.00 0.00 WT1 H ATOM 14254 OH2 TIP3 4288 60.524 10.566 19.549 1.00 0.00 WT1 O ATOM 14255 H1 TIP3 4288 61.338 10.956 19.231 1.00 0.00 WT1 H ATOM 14256 H2 TIP3 4288 59.832 11.085 19.139 1.00 0.00 WT1 H ATOM 14257 OH2 TIP3 4289 57.637 4.048 13.152 1.00 0.00 WT1 O ATOM 14258 H1 TIP3 4289 56.813 4.453 13.422 1.00 0.00 WT1 H ATOM 14259 H2 TIP3 4289 57.793 3.364 13.803 1.00 0.00 WT1 H ATOM 14260 OH2 TIP3 4290 36.465 20.936 60.392 1.00 0.00 WT1 O ATOM 14261 H1 TIP3 4290 36.079 21.207 59.559 1.00 0.00 WT1 H ATOM 14262 H2 TIP3 4290 37.393 21.156 60.309 1.00 0.00 WT1 H ATOM 14263 OH2 TIP3 4292 74.911 48.889 25.064 1.00 0.00 WT1 O ATOM 14264 H1 TIP3 4292 74.071 48.453 25.207 1.00 0.00 WT1 H ATOM 14265 H2 TIP3 4292 74.755 49.473 24.322 1.00 0.00 WT1 H ATOM 14266 OH2 TIP3 4294 24.156 63.462 60.934 1.00 0.00 WT1 O ATOM 14267 H1 TIP3 4294 24.765 63.244 61.640 1.00 0.00 WT1 H ATOM 14268 H2 TIP3 4294 24.695 63.462 60.144 1.00 0.00 WT1 H ATOM 14269 OH2 TIP3 4296 20.016 22.366 37.856 1.00 0.00 WT1 O ATOM 14270 H1 TIP3 4296 20.215 23.301 37.901 1.00 0.00 WT1 H ATOM 14271 H2 TIP3 4296 20.834 21.934 38.101 1.00 0.00 WT1 H ATOM 14272 OH2 TIP3 4297 39.869 21.732 12.732 1.00 0.00 WT1 O ATOM 14273 H1 TIP3 4297 40.522 21.357 12.141 1.00 0.00 WT1 H ATOM 14274 H2 TIP3 4297 39.276 21.006 12.927 1.00 0.00 WT1 H ATOM 14275 OH2 TIP3 4299 42.991 91.195 13.707 1.00 0.00 WT1 O ATOM 14276 H1 TIP3 4299 43.366 91.350 14.574 1.00 0.00 WT1 H ATOM 14277 H2 TIP3 4299 42.424 90.432 13.824 1.00 0.00 WT1 H ATOM 14278 OH2 TIP3 4301 58.579 34.208 49.752 1.00 0.00 WT1 O ATOM 14279 H1 TIP3 4301 58.075 33.698 50.386 1.00 0.00 WT1 H ATOM 14280 H2 TIP3 4301 57.928 34.755 49.313 1.00 0.00 WT1 H ATOM 14281 OH2 TIP3 4303 47.710 85.226 60.204 1.00 0.00 WT1 O ATOM 14282 H1 TIP3 4303 48.031 86.126 60.147 1.00 0.00 WT1 H ATOM 14283 H2 TIP3 4303 47.964 84.935 61.080 1.00 0.00 WT1 H ATOM 14284 OH2 TIP3 4304 88.912 82.217 -12.932 1.00 0.00 WT1 O ATOM 14285 H1 TIP3 4304 88.901 81.268 -13.058 1.00 0.00 WT1 H ATOM 14286 H2 TIP3 4304 89.517 82.355 -12.203 1.00 0.00 WT1 H ATOM 14287 OH2 TIP3 4306 63.368 46.859 7.039 1.00 0.00 WT1 O ATOM 14288 H1 TIP3 4306 63.212 47.290 7.880 1.00 0.00 WT1 H ATOM 14289 H2 TIP3 4306 63.997 47.426 6.592 1.00 0.00 WT1 H ATOM 14290 OH2 TIP3 4307 37.038 10.416 10.867 1.00 0.00 WT1 O ATOM 14291 H1 TIP3 4307 37.733 10.899 11.315 1.00 0.00 WT1 H ATOM 14292 H2 TIP3 4307 36.256 10.575 11.395 1.00 0.00 WT1 H ATOM 14293 OH2 TIP3 4308 22.226 39.828 10.956 1.00 0.00 WT1 O ATOM 14294 H1 TIP3 4308 21.306 39.592 11.075 1.00 0.00 WT1 H ATOM 14295 H2 TIP3 4308 22.201 40.688 10.537 1.00 0.00 WT1 H ATOM 14296 OH2 TIP3 4309 66.908 57.344 30.286 1.00 0.00 WT1 O ATOM 14297 H1 TIP3 4309 66.039 57.734 30.386 1.00 0.00 WT1 H ATOM 14298 H2 TIP3 4309 66.944 57.071 29.369 1.00 0.00 WT1 H ATOM 14299 OH2 TIP3 4311 71.445 74.707 -8.540 1.00 0.00 WT1 O ATOM 14300 H1 TIP3 4311 71.664 74.047 -7.882 1.00 0.00 WT1 H ATOM 14301 H2 TIP3 4311 71.514 75.541 -8.075 1.00 0.00 WT1 H ATOM 14302 OH2 TIP3 4312 75.624 29.314 18.243 1.00 0.00 WT1 O ATOM 14303 H1 TIP3 4312 76.291 28.937 18.815 1.00 0.00 WT1 H ATOM 14304 H2 TIP3 4312 76.109 29.619 17.476 1.00 0.00 WT1 H ATOM 14305 OH2 TIP3 4313 90.130 27.657 43.112 1.00 0.00 WT1 O ATOM 14306 H1 TIP3 4313 90.355 27.473 42.199 1.00 0.00 WT1 H ATOM 14307 H2 TIP3 4313 89.656 26.878 43.403 1.00 0.00 WT1 H ATOM 14308 OH2 TIP3 4317 60.202 73.837 -8.779 1.00 0.00 WT1 O ATOM 14309 H1 TIP3 4317 59.329 73.756 -9.164 1.00 0.00 WT1 H ATOM 14310 H2 TIP3 4317 60.227 73.168 -8.096 1.00 0.00 WT1 H ATOM 14311 OH2 TIP3 4318 76.173 39.121 38.058 1.00 0.00 WT1 O ATOM 14312 H1 TIP3 4318 77.030 38.748 38.264 1.00 0.00 WT1 H ATOM 14313 H2 TIP3 4318 76.263 39.451 37.165 1.00 0.00 WT1 H ATOM 14314 OH2 TIP3 4319 39.415 49.430 35.539 1.00 0.00 WT1 O ATOM 14315 H1 TIP3 4319 39.939 49.755 34.808 1.00 0.00 WT1 H ATOM 14316 H2 TIP3 4319 39.685 49.966 36.285 1.00 0.00 WT1 H ATOM 14317 OH2 TIP3 4321 47.117 16.709 -18.887 1.00 0.00 WT1 O ATOM 14318 H1 TIP3 4321 48.052 16.907 -18.836 1.00 0.00 WT1 H ATOM 14319 H2 TIP3 4321 46.735 17.158 -18.132 1.00 0.00 WT1 H ATOM 14320 OH2 TIP3 4322 57.019 59.155 41.466 1.00 0.00 WT1 O ATOM 14321 H1 TIP3 4322 57.303 59.544 40.638 1.00 0.00 WT1 H ATOM 14322 H2 TIP3 4322 56.453 59.818 41.861 1.00 0.00 WT1 H ATOM 14323 OH2 TIP3 4323 55.394 62.664 42.169 1.00 0.00 WT1 O ATOM 14324 H1 TIP3 4323 55.946 62.496 41.405 1.00 0.00 WT1 H ATOM 14325 H2 TIP3 4323 55.460 61.864 42.692 1.00 0.00 WT1 H ATOM 14326 OH2 TIP3 4325 46.296 53.339 10.311 1.00 0.00 WT1 O ATOM 14327 H1 TIP3 4325 45.748 54.124 10.300 1.00 0.00 WT1 H ATOM 14328 H2 TIP3 4325 46.971 53.527 10.964 1.00 0.00 WT1 H ATOM 14329 OH2 TIP3 4326 36.949 17.796 58.181 1.00 0.00 WT1 O ATOM 14330 H1 TIP3 4326 37.209 18.350 57.444 1.00 0.00 WT1 H ATOM 14331 H2 TIP3 4326 37.579 18.004 58.871 1.00 0.00 WT1 H ATOM 14332 OH2 TIP3 4328 40.906 45.481 10.703 1.00 0.00 WT1 O ATOM 14333 H1 TIP3 4328 41.190 45.704 11.589 1.00 0.00 WT1 H ATOM 14334 H2 TIP3 4328 41.206 46.213 10.163 1.00 0.00 WT1 H ATOM 14335 OH2 TIP3 4329 34.595 32.151 33.432 1.00 0.00 WT1 O ATOM 14336 H1 TIP3 4329 33.756 32.372 33.838 1.00 0.00 WT1 H ATOM 14337 H2 TIP3 4329 34.948 32.991 33.139 1.00 0.00 WT1 H ATOM 14338 OH2 TIP3 4330 45.595 73.137 15.367 1.00 0.00 WT1 O ATOM 14339 H1 TIP3 4330 46.095 72.379 15.672 1.00 0.00 WT1 H ATOM 14340 H2 TIP3 4330 45.713 73.135 14.417 1.00 0.00 WT1 H ATOM 14341 OH2 TIP3 4333 60.797 37.238 26.713 1.00 0.00 WT1 O ATOM 14342 H1 TIP3 4333 61.295 37.761 26.085 1.00 0.00 WT1 H ATOM 14343 H2 TIP3 4333 59.929 37.642 26.729 1.00 0.00 WT1 H ATOM 14344 OH2 TIP3 4334 39.053 92.069 33.825 1.00 0.00 WT1 O ATOM 14345 H1 TIP3 4334 38.637 91.271 33.501 1.00 0.00 WT1 H ATOM 14346 H2 TIP3 4334 39.919 92.072 33.417 1.00 0.00 WT1 H ATOM 14347 OH2 TIP3 4336 46.579 82.429 -18.388 1.00 0.00 WT1 O ATOM 14348 H1 TIP3 4336 46.844 83.315 -18.139 1.00 0.00 WT1 H ATOM 14349 H2 TIP3 4336 45.642 82.396 -18.195 1.00 0.00 WT1 H ATOM 14350 OH2 TIP3 4337 35.680 22.283 3.117 1.00 0.00 WT1 O ATOM 14351 H1 TIP3 4337 34.812 21.880 3.140 1.00 0.00 WT1 H ATOM 14352 H2 TIP3 4337 35.632 22.993 3.757 1.00 0.00 WT1 H ATOM 14353 OH2 TIP3 4340 55.683 45.329 22.823 1.00 0.00 WT1 O ATOM 14354 H1 TIP3 4340 54.961 45.644 23.365 1.00 0.00 WT1 H ATOM 14355 H2 TIP3 4340 55.392 45.480 21.923 1.00 0.00 WT1 H ATOM 14356 OH2 TIP3 4343 54.426 35.133 -19.626 1.00 0.00 WT1 O ATOM 14357 H1 TIP3 4343 54.236 34.668 -20.441 1.00 0.00 WT1 H ATOM 14358 H2 TIP3 4343 54.732 35.995 -19.907 1.00 0.00 WT1 H ATOM 14359 OH2 TIP3 4344 43.635 28.942 44.911 1.00 0.00 WT1 O ATOM 14360 H1 TIP3 4344 43.977 29.216 45.762 1.00 0.00 WT1 H ATOM 14361 H2 TIP3 4344 43.609 29.747 44.393 1.00 0.00 WT1 H ATOM 14362 OH2 TIP3 4346 62.730 9.366 31.143 1.00 0.00 WT1 O ATOM 14363 H1 TIP3 4346 62.061 9.925 30.748 1.00 0.00 WT1 H ATOM 14364 H2 TIP3 4346 62.287 8.943 31.878 1.00 0.00 WT1 H ATOM 14365 OH2 TIP3 4347 26.031 93.097 22.442 1.00 0.00 WT1 O ATOM 14366 H1 TIP3 4347 26.936 93.337 22.241 1.00 0.00 WT1 H ATOM 14367 H2 TIP3 4347 26.091 92.594 23.255 1.00 0.00 WT1 H ATOM 14368 OH2 TIP3 4350 57.112 20.426 47.599 1.00 0.00 WT1 O ATOM 14369 H1 TIP3 4350 56.902 20.295 46.674 1.00 0.00 WT1 H ATOM 14370 H2 TIP3 4350 56.446 19.925 48.070 1.00 0.00 WT1 H ATOM 14371 OH2 TIP3 4351 76.205 26.164 58.326 1.00 0.00 WT1 O ATOM 14372 H1 TIP3 4351 76.970 26.570 58.733 1.00 0.00 WT1 H ATOM 14373 H2 TIP3 4351 76.164 25.289 58.711 1.00 0.00 WT1 H ATOM 14374 OH2 TIP3 4352 48.237 80.986 11.561 1.00 0.00 WT1 O ATOM 14375 H1 TIP3 4352 47.743 80.455 12.186 1.00 0.00 WT1 H ATOM 14376 H2 TIP3 4352 49.118 80.611 11.571 1.00 0.00 WT1 H ATOM 14377 OH2 TIP3 4353 26.185 94.743 19.969 1.00 0.00 WT1 O ATOM 14378 H1 TIP3 4353 26.516 94.080 20.574 1.00 0.00 WT1 H ATOM 14379 H2 TIP3 4353 26.784 94.706 19.223 1.00 0.00 WT1 H ATOM 14380 OH2 TIP3 4355 81.727 81.355 -1.066 1.00 0.00 WT1 O ATOM 14381 H1 TIP3 4355 82.227 82.134 -0.820 1.00 0.00 WT1 H ATOM 14382 H2 TIP3 4355 80.820 81.657 -1.114 1.00 0.00 WT1 H ATOM 14383 OH2 TIP3 4356 75.956 12.590 -10.062 1.00 0.00 WT1 O ATOM 14384 H1 TIP3 4356 75.267 12.643 -10.724 1.00 0.00 WT1 H ATOM 14385 H2 TIP3 4356 76.711 13.018 -10.466 1.00 0.00 WT1 H ATOM 14386 OH2 TIP3 4357 63.634 77.101 54.716 1.00 0.00 WT1 O ATOM 14387 H1 TIP3 4357 63.545 76.891 53.787 1.00 0.00 WT1 H ATOM 14388 H2 TIP3 4357 62.734 77.157 55.037 1.00 0.00 WT1 H ATOM 14389 OH2 TIP3 4363 28.626 6.206 54.877 1.00 0.00 WT1 O ATOM 14390 H1 TIP3 4363 28.845 7.037 54.457 1.00 0.00 WT1 H ATOM 14391 H2 TIP3 4363 29.407 5.664 54.760 1.00 0.00 WT1 H ATOM 14392 OH2 TIP3 4364 42.723 48.016 -6.685 1.00 0.00 WT1 O ATOM 14393 H1 TIP3 4364 43.595 48.086 -6.296 1.00 0.00 WT1 H ATOM 14394 H2 TIP3 4364 42.179 48.603 -6.161 1.00 0.00 WT1 H ATOM 14395 OH2 TIP3 4365 27.619 89.696 43.912 1.00 0.00 WT1 O ATOM 14396 H1 TIP3 4365 28.562 89.859 43.897 1.00 0.00 WT1 H ATOM 14397 H2 TIP3 4365 27.540 88.742 43.896 1.00 0.00 WT1 H ATOM 14398 OH2 TIP3 4366 26.885 78.809 52.408 1.00 0.00 WT1 O ATOM 14399 H1 TIP3 4366 26.400 79.326 53.051 1.00 0.00 WT1 H ATOM 14400 H2 TIP3 4366 26.332 78.818 51.627 1.00 0.00 WT1 H ATOM 14401 OH2 TIP3 4372 88.805 56.914 50.368 1.00 0.00 WT1 O ATOM 14402 H1 TIP3 4372 89.500 56.267 50.487 1.00 0.00 WT1 H ATOM 14403 H2 TIP3 4372 88.864 57.476 51.140 1.00 0.00 WT1 H ATOM 14404 OH2 TIP3 4373 83.741 82.445 51.740 1.00 0.00 WT1 O ATOM 14405 H1 TIP3 4373 83.290 82.696 50.933 1.00 0.00 WT1 H ATOM 14406 H2 TIP3 4373 84.634 82.770 51.627 1.00 0.00 WT1 H ATOM 14407 OH2 TIP3 4374 86.247 3.002 58.934 1.00 0.00 WT1 O ATOM 14408 H1 TIP3 4374 86.258 3.885 59.304 1.00 0.00 WT1 H ATOM 14409 H2 TIP3 4374 86.259 2.423 59.696 1.00 0.00 WT1 H ATOM 14410 OH2 TIP3 4375 38.046 65.340 17.917 1.00 0.00 WT1 O ATOM 14411 H1 TIP3 4375 38.559 66.003 18.378 1.00 0.00 WT1 H ATOM 14412 H2 TIP3 4375 38.608 65.061 17.194 1.00 0.00 WT1 H ATOM 14413 OH2 TIP3 4376 76.292 68.143 -10.437 1.00 0.00 WT1 O ATOM 14414 H1 TIP3 4376 76.389 69.095 -10.456 1.00 0.00 WT1 H ATOM 14415 H2 TIP3 4376 75.354 67.995 -10.563 1.00 0.00 WT1 H ATOM 14416 OH2 TIP3 4377 39.989 85.750 49.155 1.00 0.00 WT1 O ATOM 14417 H1 TIP3 4377 39.256 85.650 49.763 1.00 0.00 WT1 H ATOM 14418 H2 TIP3 4377 40.600 86.330 49.609 1.00 0.00 WT1 H ATOM 14419 OH2 TIP3 4378 29.795 86.617 39.444 1.00 0.00 WT1 O ATOM 14420 H1 TIP3 4378 29.219 86.091 39.999 1.00 0.00 WT1 H ATOM 14421 H2 TIP3 4378 29.930 86.081 38.663 1.00 0.00 WT1 H ATOM 14422 OH2 TIP3 4379 32.495 33.030 58.887 1.00 0.00 WT1 O ATOM 14423 H1 TIP3 4379 32.740 32.900 57.971 1.00 0.00 WT1 H ATOM 14424 H2 TIP3 4379 32.935 32.321 59.356 1.00 0.00 WT1 H ATOM 14425 OH2 TIP3 4380 57.588 4.104 5.920 1.00 0.00 WT1 O ATOM 14426 H1 TIP3 4380 56.813 4.651 5.790 1.00 0.00 WT1 H ATOM 14427 H2 TIP3 4380 57.707 4.080 6.870 1.00 0.00 WT1 H ATOM 14428 OH2 TIP3 4381 58.333 73.685 32.148 1.00 0.00 WT1 O ATOM 14429 H1 TIP3 4381 57.816 73.457 31.375 1.00 0.00 WT1 H ATOM 14430 H2 TIP3 4381 57.865 73.278 32.878 1.00 0.00 WT1 H ATOM 14431 OH2 TIP3 4382 24.568 60.542 33.682 1.00 0.00 WT1 O ATOM 14432 H1 TIP3 4382 25.382 61.036 33.593 1.00 0.00 WT1 H ATOM 14433 H2 TIP3 4382 24.591 59.910 32.963 1.00 0.00 WT1 H ATOM 14434 OH2 TIP3 4383 82.175 55.277 -14.966 1.00 0.00 WT1 O ATOM 14435 H1 TIP3 4383 82.493 55.450 -14.079 1.00 0.00 WT1 H ATOM 14436 H2 TIP3 4383 81.321 54.863 -14.838 1.00 0.00 WT1 H ATOM 14437 OH2 TIP3 4384 39.463 53.224 44.052 1.00 0.00 WT1 O ATOM 14438 H1 TIP3 4384 39.418 54.119 43.716 1.00 0.00 WT1 H ATOM 14439 H2 TIP3 4384 39.197 53.298 44.968 1.00 0.00 WT1 H ATOM 14440 OH2 TIP3 4386 83.493 91.973 -14.128 1.00 0.00 WT1 O ATOM 14441 H1 TIP3 4386 83.453 91.022 -14.226 1.00 0.00 WT1 H ATOM 14442 H2 TIP3 4386 83.208 92.314 -14.976 1.00 0.00 WT1 H ATOM 14443 OH2 TIP3 4387 41.172 77.322 -18.226 1.00 0.00 WT1 O ATOM 14444 H1 TIP3 4387 41.084 76.368 -18.228 1.00 0.00 WT1 H ATOM 14445 H2 TIP3 4387 42.000 77.487 -18.676 1.00 0.00 WT1 H ATOM 14446 OH2 TIP3 4388 36.509 80.395 -18.265 1.00 0.00 WT1 O ATOM 14447 H1 TIP3 4388 36.146 81.111 -18.785 1.00 0.00 WT1 H ATOM 14448 H2 TIP3 4388 36.812 80.813 -17.459 1.00 0.00 WT1 H ATOM 14449 OH2 TIP3 4389 90.098 20.223 45.921 1.00 0.00 WT1 O ATOM 14450 H1 TIP3 4389 90.807 20.417 46.534 1.00 0.00 WT1 H ATOM 14451 H2 TIP3 4389 89.794 19.352 46.173 1.00 0.00 WT1 H ATOM 14452 OH2 TIP3 4390 71.688 29.327 -16.286 1.00 0.00 WT1 O ATOM 14453 H1 TIP3 4390 72.325 28.802 -16.771 1.00 0.00 WT1 H ATOM 14454 H2 TIP3 4390 72.009 29.322 -15.384 1.00 0.00 WT1 H ATOM 14455 OH2 TIP3 4391 60.656 22.462 42.942 1.00 0.00 WT1 O ATOM 14456 H1 TIP3 4391 59.869 22.670 42.439 1.00 0.00 WT1 H ATOM 14457 H2 TIP3 4391 61.263 23.175 42.743 1.00 0.00 WT1 H ATOM 14458 OH2 TIP3 4392 64.852 78.433 58.451 1.00 0.00 WT1 O ATOM 14459 H1 TIP3 4392 65.336 79.252 58.558 1.00 0.00 WT1 H ATOM 14460 H2 TIP3 4392 64.005 78.701 58.095 1.00 0.00 WT1 H ATOM 14461 OH2 TIP3 4394 27.688 40.776 -2.800 1.00 0.00 WT1 O ATOM 14462 H1 TIP3 4394 27.393 41.355 -3.502 1.00 0.00 WT1 H ATOM 14463 H2 TIP3 4394 26.920 40.247 -2.586 1.00 0.00 WT1 H ATOM 14464 OH2 TIP3 4395 70.550 51.473 20.404 1.00 0.00 WT1 O ATOM 14465 H1 TIP3 4395 70.629 52.421 20.502 1.00 0.00 WT1 H ATOM 14466 H2 TIP3 4395 71.436 51.141 20.550 1.00 0.00 WT1 H ATOM 14467 OH2 TIP3 4396 26.192 48.878 -6.731 1.00 0.00 WT1 O ATOM 14468 H1 TIP3 4396 27.045 49.300 -6.840 1.00 0.00 WT1 H ATOM 14469 H2 TIP3 4396 25.569 49.603 -6.697 1.00 0.00 WT1 H ATOM 14470 OH2 TIP3 4397 46.670 93.069 -4.276 1.00 0.00 WT1 O ATOM 14471 H1 TIP3 4397 46.454 92.511 -5.023 1.00 0.00 WT1 H ATOM 14472 H2 TIP3 4397 46.976 92.462 -3.603 1.00 0.00 WT1 H ATOM 14473 OH2 TIP3 4398 45.260 49.380 -0.788 1.00 0.00 WT1 O ATOM 14474 H1 TIP3 4398 45.780 49.895 -0.170 1.00 0.00 WT1 H ATOM 14475 H2 TIP3 4398 44.366 49.703 -0.677 1.00 0.00 WT1 H ATOM 14476 OH2 TIP3 4401 43.169 55.893 43.128 1.00 0.00 WT1 O ATOM 14477 H1 TIP3 4401 43.961 56.233 42.712 1.00 0.00 WT1 H ATOM 14478 H2 TIP3 4401 42.543 55.798 42.410 1.00 0.00 WT1 H ATOM 14479 OH2 TIP3 4402 37.012 6.216 56.189 1.00 0.00 WT1 O ATOM 14480 H1 TIP3 4402 37.846 5.769 56.332 1.00 0.00 WT1 H ATOM 14481 H2 TIP3 4402 37.011 6.430 55.256 1.00 0.00 WT1 H ATOM 14482 OH2 TIP3 4403 61.768 18.815 52.957 1.00 0.00 WT1 O ATOM 14483 H1 TIP3 4403 61.503 19.561 52.419 1.00 0.00 WT1 H ATOM 14484 H2 TIP3 4403 62.129 18.185 52.332 1.00 0.00 WT1 H ATOM 14485 OH2 TIP3 4404 61.462 75.702 15.926 1.00 0.00 WT1 O ATOM 14486 H1 TIP3 4404 62.003 74.932 15.751 1.00 0.00 WT1 H ATOM 14487 H2 TIP3 4404 60.999 75.491 16.737 1.00 0.00 WT1 H ATOM 14488 OH2 TIP3 4405 23.499 93.672 -16.387 1.00 0.00 WT1 O ATOM 14489 H1 TIP3 4405 24.315 93.432 -16.826 1.00 0.00 WT1 H ATOM 14490 H2 TIP3 4405 23.217 92.870 -15.948 1.00 0.00 WT1 H ATOM 14491 OH2 TIP3 4407 45.778 94.614 -6.606 1.00 0.00 WT1 O ATOM 14492 H1 TIP3 4407 45.060 93.985 -6.527 1.00 0.00 WT1 H ATOM 14493 H2 TIP3 4407 46.038 94.795 -5.703 1.00 0.00 WT1 H ATOM 14494 OH2 TIP3 4409 50.424 15.729 12.338 1.00 0.00 WT1 O ATOM 14495 H1 TIP3 4409 50.807 15.753 13.215 1.00 0.00 WT1 H ATOM 14496 H2 TIP3 4409 50.678 16.562 11.943 1.00 0.00 WT1 H ATOM 14497 OH2 TIP3 4411 54.230 73.095 63.836 1.00 0.00 WT1 O ATOM 14498 H1 TIP3 4411 53.588 73.131 63.127 1.00 0.00 WT1 H ATOM 14499 H2 TIP3 4411 53.718 72.865 64.612 1.00 0.00 WT1 H ATOM 14500 OH2 TIP3 4412 24.801 28.568 19.840 1.00 0.00 WT1 O ATOM 14501 H1 TIP3 4412 25.268 29.197 19.290 1.00 0.00 WT1 H ATOM 14502 H2 TIP3 4412 25.349 28.477 20.620 1.00 0.00 WT1 H ATOM 14503 OH2 TIP3 4414 82.351 93.253 10.129 1.00 0.00 WT1 O ATOM 14504 H1 TIP3 4414 81.932 92.554 9.628 1.00 0.00 WT1 H ATOM 14505 H2 TIP3 4414 82.858 93.743 9.481 1.00 0.00 WT1 H ATOM 14506 OH2 TIP3 4415 90.369 96.285 19.500 1.00 0.00 WT1 O ATOM 14507 H1 TIP3 4415 90.080 96.821 20.238 1.00 0.00 WT1 H ATOM 14508 H2 TIP3 4415 90.606 96.917 18.822 1.00 0.00 WT1 H ATOM 14509 OH2 TIP3 4416 41.662 72.988 -1.507 1.00 0.00 WT1 O ATOM 14510 H1 TIP3 4416 41.979 72.666 -0.663 1.00 0.00 WT1 H ATOM 14511 H2 TIP3 4416 40.752 72.692 -1.551 1.00 0.00 WT1 H ATOM 14512 OH2 TIP3 4417 34.435 81.420 27.696 1.00 0.00 WT1 O ATOM 14513 H1 TIP3 4417 34.352 81.438 26.743 1.00 0.00 WT1 H ATOM 14514 H2 TIP3 4417 35.377 81.368 27.854 1.00 0.00 WT1 H ATOM 14515 OH2 TIP3 4419 53.993 25.912 55.951 1.00 0.00 WT1 O ATOM 14516 H1 TIP3 4419 54.015 26.708 55.419 1.00 0.00 WT1 H ATOM 14517 H2 TIP3 4419 54.488 25.270 55.443 1.00 0.00 WT1 H ATOM 14518 OH2 TIP3 4421 88.191 32.342 -9.948 1.00 0.00 WT1 O ATOM 14519 H1 TIP3 4421 88.609 32.080 -9.128 1.00 0.00 WT1 H ATOM 14520 H2 TIP3 4421 88.531 31.726 -10.598 1.00 0.00 WT1 H ATOM 14521 OH2 TIP3 4422 89.154 10.363 1.910 1.00 0.00 WT1 O ATOM 14522 H1 TIP3 4422 88.938 9.559 1.438 1.00 0.00 WT1 H ATOM 14523 H2 TIP3 4422 88.870 11.067 1.328 1.00 0.00 WT1 H ATOM 14524 OH2 TIP3 4425 41.360 83.279 8.752 1.00 0.00 WT1 O ATOM 14525 H1 TIP3 4425 40.436 83.342 8.511 1.00 0.00 WT1 H ATOM 14526 H2 TIP3 4425 41.417 82.478 9.274 1.00 0.00 WT1 H ATOM 14527 OH2 TIP3 4427 29.940 86.779 -16.359 1.00 0.00 WT1 O ATOM 14528 H1 TIP3 4427 30.457 87.293 -16.980 1.00 0.00 WT1 H ATOM 14529 H2 TIP3 4427 29.273 86.352 -16.896 1.00 0.00 WT1 H ATOM 14530 OH2 TIP3 4428 25.979 84.580 28.696 1.00 0.00 WT1 O ATOM 14531 H1 TIP3 4428 26.583 84.870 29.379 1.00 0.00 WT1 H ATOM 14532 H2 TIP3 4428 25.145 84.992 28.922 1.00 0.00 WT1 H ATOM 14533 OH2 TIP3 4429 27.045 90.150 5.589 1.00 0.00 WT1 O ATOM 14534 H1 TIP3 4429 27.743 89.608 5.220 1.00 0.00 WT1 H ATOM 14535 H2 TIP3 4429 26.334 89.535 5.768 1.00 0.00 WT1 H ATOM 14536 OH2 TIP3 4432 31.243 26.180 35.525 1.00 0.00 WT1 O ATOM 14537 H1 TIP3 4432 30.369 25.906 35.803 1.00 0.00 WT1 H ATOM 14538 H2 TIP3 4432 31.639 25.386 35.165 1.00 0.00 WT1 H ATOM 14539 OH2 TIP3 4433 23.914 0.894 65.925 1.00 0.00 WT1 O ATOM 14540 H1 TIP3 4433 24.331 1.696 66.240 1.00 0.00 WT1 H ATOM 14541 H2 TIP3 4433 23.950 0.295 66.670 1.00 0.00 WT1 H ATOM 14542 OH2 TIP3 4434 28.242 33.012 -14.266 1.00 0.00 WT1 O ATOM 14543 H1 TIP3 4434 28.940 33.639 -14.080 1.00 0.00 WT1 H ATOM 14544 H2 TIP3 4434 27.579 33.186 -13.598 1.00 0.00 WT1 H ATOM 14545 OH2 TIP3 4435 85.876 72.504 55.173 1.00 0.00 WT1 O ATOM 14546 H1 TIP3 4435 86.786 72.206 55.185 1.00 0.00 WT1 H ATOM 14547 H2 TIP3 4435 85.914 73.371 54.769 1.00 0.00 WT1 H ATOM 14548 OH2 TIP3 4436 69.503 17.871 44.370 1.00 0.00 WT1 O ATOM 14549 H1 TIP3 4436 68.604 17.765 44.058 1.00 0.00 WT1 H ATOM 14550 H2 TIP3 4436 70.039 17.820 43.578 1.00 0.00 WT1 H ATOM 14551 OH2 TIP3 4437 81.318 12.757 64.759 1.00 0.00 WT1 O ATOM 14552 H1 TIP3 4437 80.830 11.939 64.663 1.00 0.00 WT1 H ATOM 14553 H2 TIP3 4437 80.728 13.332 65.246 1.00 0.00 WT1 H ATOM 14554 OH2 TIP3 4438 56.940 88.306 42.053 1.00 0.00 WT1 O ATOM 14555 H1 TIP3 4438 56.388 88.999 42.417 1.00 0.00 WT1 H ATOM 14556 H2 TIP3 4438 57.198 87.782 42.811 1.00 0.00 WT1 H ATOM 14557 OH2 TIP3 4441 42.604 36.301 14.596 1.00 0.00 WT1 O ATOM 14558 H1 TIP3 4441 43.187 35.796 14.029 1.00 0.00 WT1 H ATOM 14559 H2 TIP3 4441 42.592 35.814 15.421 1.00 0.00 WT1 H ATOM 14560 OH2 TIP3 4442 41.299 77.787 3.244 1.00 0.00 WT1 O ATOM 14561 H1 TIP3 4442 40.819 76.966 3.351 1.00 0.00 WT1 H ATOM 14562 H2 TIP3 4442 41.882 77.824 4.003 1.00 0.00 WT1 H ATOM 14563 OH2 TIP3 4443 88.641 30.984 39.944 1.00 0.00 WT1 O ATOM 14564 H1 TIP3 4443 88.897 31.201 39.047 1.00 0.00 WT1 H ATOM 14565 H2 TIP3 4443 88.325 30.082 39.891 1.00 0.00 WT1 H ATOM 14566 OH2 TIP3 4444 56.580 68.927 5.686 1.00 0.00 WT1 O ATOM 14567 H1 TIP3 4444 56.744 69.500 6.435 1.00 0.00 WT1 H ATOM 14568 H2 TIP3 4444 56.061 68.207 6.044 1.00 0.00 WT1 H ATOM 14569 OH2 TIP3 4446 28.883 12.347 36.601 1.00 0.00 WT1 O ATOM 14570 H1 TIP3 4446 28.715 11.981 35.733 1.00 0.00 WT1 H ATOM 14571 H2 TIP3 4446 29.159 11.598 37.129 1.00 0.00 WT1 H ATOM 14572 OH2 TIP3 4449 65.469 4.481 35.694 1.00 0.00 WT1 O ATOM 14573 H1 TIP3 4449 65.243 5.242 35.158 1.00 0.00 WT1 H ATOM 14574 H2 TIP3 4449 64.865 3.797 35.406 1.00 0.00 WT1 H ATOM 14575 OH2 TIP3 4450 53.531 62.239 15.275 1.00 0.00 WT1 O ATOM 14576 H1 TIP3 4450 53.238 61.657 15.977 1.00 0.00 WT1 H ATOM 14577 H2 TIP3 4450 54.406 61.922 15.050 1.00 0.00 WT1 H ATOM 14578 OH2 TIP3 4451 80.441 12.992 39.431 1.00 0.00 WT1 O ATOM 14579 H1 TIP3 4451 81.125 12.804 40.073 1.00 0.00 WT1 H ATOM 14580 H2 TIP3 4451 80.874 13.529 38.768 1.00 0.00 WT1 H ATOM 14581 OH2 TIP3 4452 56.499 70.250 55.748 1.00 0.00 WT1 O ATOM 14582 H1 TIP3 4452 56.171 69.362 55.887 1.00 0.00 WT1 H ATOM 14583 H2 TIP3 4452 56.275 70.450 54.839 1.00 0.00 WT1 H ATOM 14584 OH2 TIP3 4453 75.036 22.414 6.307 1.00 0.00 WT1 O ATOM 14585 H1 TIP3 4453 74.231 22.131 5.873 1.00 0.00 WT1 H ATOM 14586 H2 TIP3 4453 75.063 21.904 7.117 1.00 0.00 WT1 H ATOM 14587 OH2 TIP3 4454 74.929 41.085 -19.235 1.00 0.00 WT1 O ATOM 14588 H1 TIP3 4454 75.376 41.724 -18.680 1.00 0.00 WT1 H ATOM 14589 H2 TIP3 4454 75.545 40.356 -19.305 1.00 0.00 WT1 H ATOM 14590 OH2 TIP3 4455 28.511 71.157 65.311 1.00 0.00 WT1 O ATOM 14591 H1 TIP3 4455 28.357 71.896 64.724 1.00 0.00 WT1 H ATOM 14592 H2 TIP3 4455 28.291 71.491 66.181 1.00 0.00 WT1 H ATOM 14593 OH2 TIP3 4456 60.347 80.133 -10.101 1.00 0.00 WT1 O ATOM 14594 H1 TIP3 4456 61.298 80.183 -10.193 1.00 0.00 WT1 H ATOM 14595 H2 TIP3 4456 60.170 80.500 -9.235 1.00 0.00 WT1 H ATOM 14596 OH2 TIP3 4457 42.139 2.938 23.369 1.00 0.00 WT1 O ATOM 14597 H1 TIP3 4457 42.167 3.166 24.299 1.00 0.00 WT1 H ATOM 14598 H2 TIP3 4457 42.450 2.034 23.334 1.00 0.00 WT1 H ATOM 14599 OH2 TIP3 4459 81.537 61.326 30.878 1.00 0.00 WT1 O ATOM 14600 H1 TIP3 4459 81.257 60.453 30.603 1.00 0.00 WT1 H ATOM 14601 H2 TIP3 4459 81.297 61.375 31.803 1.00 0.00 WT1 H ATOM 14602 OH2 TIP3 4460 47.205 25.112 5.772 1.00 0.00 WT1 O ATOM 14603 H1 TIP3 4460 47.781 25.260 6.522 1.00 0.00 WT1 H ATOM 14604 H2 TIP3 4460 46.652 24.377 6.035 1.00 0.00 WT1 H ATOM 14605 OH2 TIP3 4461 35.925 71.798 -0.224 1.00 0.00 WT1 O ATOM 14606 H1 TIP3 4461 35.993 71.167 0.493 1.00 0.00 WT1 H ATOM 14607 H2 TIP3 4461 35.725 72.630 0.207 1.00 0.00 WT1 H ATOM 14608 OH2 TIP3 4462 39.310 85.269 23.387 1.00 0.00 WT1 O ATOM 14609 H1 TIP3 4462 40.039 84.790 22.994 1.00 0.00 WT1 H ATOM 14610 H2 TIP3 4462 38.688 84.589 23.647 1.00 0.00 WT1 H ATOM 14611 OH2 TIP3 4463 29.570 2.887 -1.846 1.00 0.00 WT1 O ATOM 14612 H1 TIP3 4463 29.753 2.797 -2.781 1.00 0.00 WT1 H ATOM 14613 H2 TIP3 4463 29.808 2.039 -1.472 1.00 0.00 WT1 H ATOM 14614 OH2 TIP3 4464 39.075 31.968 40.063 1.00 0.00 WT1 O ATOM 14615 H1 TIP3 4464 39.013 32.876 39.764 1.00 0.00 WT1 H ATOM 14616 H2 TIP3 4464 38.460 31.490 39.506 1.00 0.00 WT1 H ATOM 14617 OH2 TIP3 4465 61.932 17.565 57.591 1.00 0.00 WT1 O ATOM 14618 H1 TIP3 4465 61.595 18.417 57.315 1.00 0.00 WT1 H ATOM 14619 H2 TIP3 4465 61.178 17.124 57.983 1.00 0.00 WT1 H ATOM 14620 OH2 TIP3 4466 20.424 28.515 17.859 1.00 0.00 WT1 O ATOM 14621 H1 TIP3 4466 20.294 28.044 17.036 1.00 0.00 WT1 H ATOM 14622 H2 TIP3 4466 19.869 29.291 17.781 1.00 0.00 WT1 H ATOM 14623 OH2 TIP3 4467 63.443 78.954 27.986 1.00 0.00 WT1 O ATOM 14624 H1 TIP3 4467 62.619 78.468 28.008 1.00 0.00 WT1 H ATOM 14625 H2 TIP3 4467 64.086 78.321 27.666 1.00 0.00 WT1 H ATOM 14626 OH2 TIP3 4468 50.791 11.802 -15.225 1.00 0.00 WT1 O ATOM 14627 H1 TIP3 4468 51.125 11.416 -16.034 1.00 0.00 WT1 H ATOM 14628 H2 TIP3 4468 49.944 12.175 -15.468 1.00 0.00 WT1 H ATOM 14629 OH2 TIP3 4469 43.726 41.812 -14.925 1.00 0.00 WT1 O ATOM 14630 H1 TIP3 4469 44.383 41.237 -14.533 1.00 0.00 WT1 H ATOM 14631 H2 TIP3 4469 44.161 42.662 -14.994 1.00 0.00 WT1 H ATOM 14632 OH2 TIP3 4470 39.774 23.527 -6.216 1.00 0.00 WT1 O ATOM 14633 H1 TIP3 4470 40.669 23.820 -6.043 1.00 0.00 WT1 H ATOM 14634 H2 TIP3 4470 39.295 23.734 -5.414 1.00 0.00 WT1 H ATOM 14635 OH2 TIP3 4472 49.941 93.485 36.324 1.00 0.00 WT1 O ATOM 14636 H1 TIP3 4472 49.079 93.381 35.923 1.00 0.00 WT1 H ATOM 14637 H2 TIP3 4472 50.523 93.693 35.592 1.00 0.00 WT1 H ATOM 14638 OH2 TIP3 4473 61.120 6.195 9.510 1.00 0.00 WT1 O ATOM 14639 H1 TIP3 4473 60.437 5.902 8.906 1.00 0.00 WT1 H ATOM 14640 H2 TIP3 4473 61.829 5.562 9.394 1.00 0.00 WT1 H ATOM 14641 OH2 TIP3 4474 76.271 94.311 10.375 1.00 0.00 WT1 O ATOM 14642 H1 TIP3 4474 76.649 94.109 9.519 1.00 0.00 WT1 H ATOM 14643 H2 TIP3 4474 76.997 94.203 10.989 1.00 0.00 WT1 H ATOM 14644 OH2 TIP3 4475 35.256 81.181 24.888 1.00 0.00 WT1 O ATOM 14645 H1 TIP3 4475 35.501 82.082 24.679 1.00 0.00 WT1 H ATOM 14646 H2 TIP3 4475 34.979 80.807 24.052 1.00 0.00 WT1 H ATOM 14647 OH2 TIP3 4476 42.573 81.303 36.866 1.00 0.00 WT1 O ATOM 14648 H1 TIP3 4476 43.445 80.929 36.747 1.00 0.00 WT1 H ATOM 14649 H2 TIP3 4476 41.999 80.747 36.339 1.00 0.00 WT1 H ATOM 14650 OH2 TIP3 4477 56.124 82.552 -13.425 1.00 0.00 WT1 O ATOM 14651 H1 TIP3 4477 56.818 82.983 -13.924 1.00 0.00 WT1 H ATOM 14652 H2 TIP3 4477 56.536 81.762 -13.075 1.00 0.00 WT1 H ATOM 14653 OH2 TIP3 4478 67.353 20.755 -0.521 1.00 0.00 WT1 O ATOM 14654 H1 TIP3 4478 67.945 21.480 -0.723 1.00 0.00 WT1 H ATOM 14655 H2 TIP3 4478 67.778 20.294 0.202 1.00 0.00 WT1 H ATOM 14656 OH2 TIP3 4479 50.473 22.752 58.559 1.00 0.00 WT1 O ATOM 14657 H1 TIP3 4479 51.248 22.783 59.120 1.00 0.00 WT1 H ATOM 14658 H2 TIP3 4479 50.303 23.666 58.333 1.00 0.00 WT1 H ATOM 14659 OH2 TIP3 4480 79.219 10.725 -7.856 1.00 0.00 WT1 O ATOM 14660 H1 TIP3 4480 78.876 11.293 -7.166 1.00 0.00 WT1 H ATOM 14661 H2 TIP3 4480 79.990 10.313 -7.467 1.00 0.00 WT1 H ATOM 14662 OH2 TIP3 4481 43.003 81.648 63.094 1.00 0.00 WT1 O ATOM 14663 H1 TIP3 4481 43.608 81.338 62.421 1.00 0.00 WT1 H ATOM 14664 H2 TIP3 4481 42.238 81.955 62.607 1.00 0.00 WT1 H ATOM 14665 OH2 TIP3 4482 78.327 92.561 32.037 1.00 0.00 WT1 O ATOM 14666 H1 TIP3 4482 79.209 92.919 32.137 1.00 0.00 WT1 H ATOM 14667 H2 TIP3 4482 78.133 92.657 31.105 1.00 0.00 WT1 H ATOM 14668 OH2 TIP3 4483 39.762 34.372 2.977 1.00 0.00 WT1 O ATOM 14669 H1 TIP3 4483 39.409 34.574 3.844 1.00 0.00 WT1 H ATOM 14670 H2 TIP3 4483 39.942 35.227 2.586 1.00 0.00 WT1 H ATOM 14671 OH2 TIP3 4485 70.486 42.294 58.831 1.00 0.00 WT1 O ATOM 14672 H1 TIP3 4485 70.126 42.848 58.139 1.00 0.00 WT1 H ATOM 14673 H2 TIP3 4485 69.745 42.124 59.413 1.00 0.00 WT1 H ATOM 14674 OH2 TIP3 4487 32.639 15.368 12.656 1.00 0.00 WT1 O ATOM 14675 H1 TIP3 4487 32.653 16.318 12.769 1.00 0.00 WT1 H ATOM 14676 H2 TIP3 4487 33.398 15.181 12.103 1.00 0.00 WT1 H ATOM 14677 OH2 TIP3 4489 22.059 94.379 46.278 1.00 0.00 WT1 O ATOM 14678 H1 TIP3 4489 22.475 93.783 45.655 1.00 0.00 WT1 H ATOM 14679 H2 TIP3 4489 22.557 95.193 46.202 1.00 0.00 WT1 H ATOM 14680 OH2 TIP3 4491 84.091 23.130 35.426 1.00 0.00 WT1 O ATOM 14681 H1 TIP3 4491 83.879 22.604 34.655 1.00 0.00 WT1 H ATOM 14682 H2 TIP3 4491 84.844 22.689 35.818 1.00 0.00 WT1 H ATOM 14683 OH2 TIP3 4492 57.733 24.593 38.456 1.00 0.00 WT1 O ATOM 14684 H1 TIP3 4492 57.617 24.971 37.584 1.00 0.00 WT1 H ATOM 14685 H2 TIP3 4492 57.941 23.673 38.293 1.00 0.00 WT1 H ATOM 14686 OH2 TIP3 4493 38.609 27.329 -9.925 1.00 0.00 WT1 O ATOM 14687 H1 TIP3 4493 37.754 26.944 -9.732 1.00 0.00 WT1 H ATOM 14688 H2 TIP3 4493 39.233 26.774 -9.458 1.00 0.00 WT1 H ATOM 14689 OH2 TIP3 4495 81.973 28.641 61.588 1.00 0.00 WT1 O ATOM 14690 H1 TIP3 4495 81.502 28.721 60.758 1.00 0.00 WT1 H ATOM 14691 H2 TIP3 4495 82.303 29.522 61.763 1.00 0.00 WT1 H ATOM 14692 OH2 TIP3 4496 36.261 93.495 30.785 1.00 0.00 WT1 O ATOM 14693 H1 TIP3 4496 36.473 93.275 29.878 1.00 0.00 WT1 H ATOM 14694 H2 TIP3 4496 36.020 94.421 30.757 1.00 0.00 WT1 H ATOM 14695 OH2 TIP3 4497 54.416 32.569 -1.463 1.00 0.00 WT1 O ATOM 14696 H1 TIP3 4497 54.787 33.020 -0.705 1.00 0.00 WT1 H ATOM 14697 H2 TIP3 4497 53.915 31.844 -1.090 1.00 0.00 WT1 H ATOM 14698 OH2 TIP3 4499 32.417 36.692 28.937 1.00 0.00 WT1 O ATOM 14699 H1 TIP3 4499 32.348 36.580 27.989 1.00 0.00 WT1 H ATOM 14700 H2 TIP3 4499 33.357 36.650 29.116 1.00 0.00 WT1 H ATOM 14701 OH2 TIP3 4500 35.643 86.684 39.969 1.00 0.00 WT1 O ATOM 14702 H1 TIP3 4500 36.303 87.369 40.072 1.00 0.00 WT1 H ATOM 14703 H2 TIP3 4500 36.040 86.057 39.365 1.00 0.00 WT1 H ATOM 14704 OH2 TIP3 4501 28.215 31.106 45.335 1.00 0.00 WT1 O ATOM 14705 H1 TIP3 4501 28.374 31.119 44.391 1.00 0.00 WT1 H ATOM 14706 H2 TIP3 4501 27.783 31.941 45.516 1.00 0.00 WT1 H ATOM 14707 OH2 TIP3 4502 37.192 51.452 -11.933 1.00 0.00 WT1 O ATOM 14708 H1 TIP3 4502 37.802 51.083 -12.572 1.00 0.00 WT1 H ATOM 14709 H2 TIP3 4502 36.331 51.152 -12.223 1.00 0.00 WT1 H ATOM 14710 OH2 TIP3 4504 75.192 89.177 48.642 1.00 0.00 WT1 O ATOM 14711 H1 TIP3 4504 75.558 90.059 48.717 1.00 0.00 WT1 H ATOM 14712 H2 TIP3 4504 75.957 88.603 48.598 1.00 0.00 WT1 H ATOM 14713 OH2 TIP3 4505 74.101 57.961 18.658 1.00 0.00 WT1 O ATOM 14714 H1 TIP3 4505 75.026 57.725 18.725 1.00 0.00 WT1 H ATOM 14715 H2 TIP3 4505 73.666 57.153 18.386 1.00 0.00 WT1 H ATOM 14716 OH2 TIP3 4506 46.043 10.598 26.074 1.00 0.00 WT1 O ATOM 14717 H1 TIP3 4506 46.691 11.299 26.141 1.00 0.00 WT1 H ATOM 14718 H2 TIP3 4506 46.360 10.046 25.359 1.00 0.00 WT1 H ATOM 14719 OH2 TIP3 4507 35.503 74.548 -2.550 1.00 0.00 WT1 O ATOM 14720 H1 TIP3 4507 36.172 75.096 -2.139 1.00 0.00 WT1 H ATOM 14721 H2 TIP3 4507 34.678 74.856 -2.175 1.00 0.00 WT1 H ATOM 14722 OH2 TIP3 4508 53.254 53.841 -17.718 1.00 0.00 WT1 O ATOM 14723 H1 TIP3 4508 53.633 54.362 -17.010 1.00 0.00 WT1 H ATOM 14724 H2 TIP3 4508 53.994 53.354 -18.080 1.00 0.00 WT1 H ATOM 14725 OH2 TIP3 4509 29.576 5.879 5.097 1.00 0.00 WT1 O ATOM 14726 H1 TIP3 4509 29.102 6.474 5.677 1.00 0.00 WT1 H ATOM 14727 H2 TIP3 4509 29.122 5.949 4.258 1.00 0.00 WT1 H ATOM 14728 OH2 TIP3 4510 50.067 39.668 35.123 1.00 0.00 WT1 O ATOM 14729 H1 TIP3 4510 49.992 39.485 34.187 1.00 0.00 WT1 H ATOM 14730 H2 TIP3 4510 49.541 40.457 35.256 1.00 0.00 WT1 H ATOM 14731 OH2 TIP3 4511 55.217 7.264 46.030 1.00 0.00 WT1 O ATOM 14732 H1 TIP3 4511 55.547 6.733 46.755 1.00 0.00 WT1 H ATOM 14733 H2 TIP3 4511 54.629 7.896 46.443 1.00 0.00 WT1 H ATOM 14734 OH2 TIP3 4513 72.364 22.055 -9.786 1.00 0.00 WT1 O ATOM 14735 H1 TIP3 4513 71.502 22.428 -9.601 1.00 0.00 WT1 H ATOM 14736 H2 TIP3 4513 72.529 21.459 -9.055 1.00 0.00 WT1 H ATOM 14737 OH2 TIP3 4514 45.188 88.398 34.035 1.00 0.00 WT1 O ATOM 14738 H1 TIP3 4514 45.988 88.602 33.549 1.00 0.00 WT1 H ATOM 14739 H2 TIP3 4514 45.466 88.360 34.950 1.00 0.00 WT1 H ATOM 14740 OH2 TIP3 4515 59.248 4.943 18.584 1.00 0.00 WT1 O ATOM 14741 H1 TIP3 4515 59.761 5.172 17.809 1.00 0.00 WT1 H ATOM 14742 H2 TIP3 4515 58.368 4.776 18.249 1.00 0.00 WT1 H ATOM 14743 OH2 TIP3 4516 68.869 70.488 17.660 1.00 0.00 WT1 O ATOM 14744 H1 TIP3 4516 68.815 71.111 16.936 1.00 0.00 WT1 H ATOM 14745 H2 TIP3 4516 67.979 70.150 17.753 1.00 0.00 WT1 H ATOM 14746 OH2 TIP3 4517 52.618 87.474 65.977 1.00 0.00 WT1 O ATOM 14747 H1 TIP3 4517 53.222 86.867 66.404 1.00 0.00 WT1 H ATOM 14748 H2 TIP3 4517 52.097 86.923 65.393 1.00 0.00 WT1 H ATOM 14749 OH2 TIP3 4518 36.083 19.769 -2.844 1.00 0.00 WT1 O ATOM 14750 H1 TIP3 4518 36.690 19.357 -3.458 1.00 0.00 WT1 H ATOM 14751 H2 TIP3 4518 35.365 20.086 -3.393 1.00 0.00 WT1 H ATOM 14752 OH2 TIP3 4519 78.336 31.010 7.779 1.00 0.00 WT1 O ATOM 14753 H1 TIP3 4519 78.442 30.515 6.967 1.00 0.00 WT1 H ATOM 14754 H2 TIP3 4519 77.497 30.713 8.133 1.00 0.00 WT1 H ATOM 14755 OH2 TIP3 4520 28.806 88.903 -12.885 1.00 0.00 WT1 O ATOM 14756 H1 TIP3 4520 28.710 89.164 -11.969 1.00 0.00 WT1 H ATOM 14757 H2 TIP3 4520 29.713 88.608 -12.957 1.00 0.00 WT1 H ATOM 14758 OH2 TIP3 4521 30.073 37.555 -2.654 1.00 0.00 WT1 O ATOM 14759 H1 TIP3 4521 30.352 38.361 -3.089 1.00 0.00 WT1 H ATOM 14760 H2 TIP3 4521 30.889 37.096 -2.454 1.00 0.00 WT1 H ATOM 14761 OH2 TIP3 4522 65.568 50.269 11.521 1.00 0.00 WT1 O ATOM 14762 H1 TIP3 4522 65.248 51.109 11.191 1.00 0.00 WT1 H ATOM 14763 H2 TIP3 4522 65.291 50.249 12.437 1.00 0.00 WT1 H ATOM 14764 OH2 TIP3 4523 28.428 76.419 9.151 1.00 0.00 WT1 O ATOM 14765 H1 TIP3 4523 28.955 76.157 9.905 1.00 0.00 WT1 H ATOM 14766 H2 TIP3 4523 28.055 77.264 9.400 1.00 0.00 WT1 H ATOM 14767 OH2 TIP3 4524 83.324 32.850 44.124 1.00 0.00 WT1 O ATOM 14768 H1 TIP3 4524 84.220 32.958 44.441 1.00 0.00 WT1 H ATOM 14769 H2 TIP3 4524 82.865 32.418 44.844 1.00 0.00 WT1 H ATOM 14770 OH2 TIP3 4525 84.559 41.294 31.088 1.00 0.00 WT1 O ATOM 14771 H1 TIP3 4525 84.401 41.143 30.156 1.00 0.00 WT1 H ATOM 14772 H2 TIP3 4525 83.687 41.289 31.483 1.00 0.00 WT1 H ATOM 14773 OH2 TIP3 4526 88.842 27.551 49.564 1.00 0.00 WT1 O ATOM 14774 H1 TIP3 4526 89.702 27.910 49.348 1.00 0.00 WT1 H ATOM 14775 H2 TIP3 4526 88.659 26.927 48.861 1.00 0.00 WT1 H ATOM 14776 OH2 TIP3 4527 78.230 77.329 61.055 1.00 0.00 WT1 O ATOM 14777 H1 TIP3 4527 77.464 77.249 60.486 1.00 0.00 WT1 H ATOM 14778 H2 TIP3 4527 78.903 76.801 60.625 1.00 0.00 WT1 H ATOM 14779 OH2 TIP3 4528 63.203 17.921 42.047 1.00 0.00 WT1 O ATOM 14780 H1 TIP3 4528 62.773 18.624 41.561 1.00 0.00 WT1 H ATOM 14781 H2 TIP3 4528 64.082 17.870 41.670 1.00 0.00 WT1 H ATOM 14782 OH2 TIP3 4529 63.287 1.355 -11.311 1.00 0.00 WT1 O ATOM 14783 H1 TIP3 4529 63.165 2.241 -11.652 1.00 0.00 WT1 H ATOM 14784 H2 TIP3 4529 62.485 0.892 -11.554 1.00 0.00 WT1 H ATOM 14785 OH2 TIP3 4530 49.345 2.949 -2.563 1.00 0.00 WT1 O ATOM 14786 H1 TIP3 4530 48.392 2.918 -2.481 1.00 0.00 WT1 H ATOM 14787 H2 TIP3 4530 49.552 2.283 -3.219 1.00 0.00 WT1 H ATOM 14788 OH2 TIP3 4531 82.300 39.901 61.979 1.00 0.00 WT1 O ATOM 14789 H1 TIP3 4531 81.822 39.088 62.144 1.00 0.00 WT1 H ATOM 14790 H2 TIP3 4531 82.143 40.434 62.758 1.00 0.00 WT1 H ATOM 14791 OH2 TIP3 4532 55.486 76.032 33.248 1.00 0.00 WT1 O ATOM 14792 H1 TIP3 4532 55.760 76.124 32.335 1.00 0.00 WT1 H ATOM 14793 H2 TIP3 4532 54.851 75.317 33.237 1.00 0.00 WT1 H ATOM 14794 OH2 TIP3 4533 55.032 6.484 27.920 1.00 0.00 WT1 O ATOM 14795 H1 TIP3 4533 55.924 6.635 28.233 1.00 0.00 WT1 H ATOM 14796 H2 TIP3 4533 54.750 5.689 28.374 1.00 0.00 WT1 H ATOM 14797 OH2 TIP3 4534 39.814 15.567 17.580 1.00 0.00 WT1 O ATOM 14798 H1 TIP3 4534 39.968 15.362 18.502 1.00 0.00 WT1 H ATOM 14799 H2 TIP3 4534 40.085 16.480 17.488 1.00 0.00 WT1 H ATOM 14800 OH2 TIP3 4535 68.300 35.817 4.555 1.00 0.00 WT1 O ATOM 14801 H1 TIP3 4535 67.385 35.536 4.549 1.00 0.00 WT1 H ATOM 14802 H2 TIP3 4535 68.409 36.259 5.397 1.00 0.00 WT1 H ATOM 14803 OH2 TIP3 4536 51.858 0.368 1.029 1.00 0.00 WT1 O ATOM 14804 H1 TIP3 4536 51.040 0.745 1.352 1.00 0.00 WT1 H ATOM 14805 H2 TIP3 4536 52.196 1.019 0.414 1.00 0.00 WT1 H ATOM 14806 OH2 TIP3 4537 38.789 83.201 8.226 1.00 0.00 WT1 O ATOM 14807 H1 TIP3 4537 38.015 83.763 8.204 1.00 0.00 WT1 H ATOM 14808 H2 TIP3 4537 38.440 82.310 8.197 1.00 0.00 WT1 H ATOM 14809 OH2 TIP3 4538 68.709 34.473 20.273 1.00 0.00 WT1 O ATOM 14810 H1 TIP3 4538 68.326 34.959 19.542 1.00 0.00 WT1 H ATOM 14811 H2 TIP3 4538 67.957 34.193 20.794 1.00 0.00 WT1 H ATOM 14812 OH2 TIP3 4539 60.670 7.716 4.802 1.00 0.00 WT1 O ATOM 14813 H1 TIP3 4539 60.862 8.651 4.729 1.00 0.00 WT1 H ATOM 14814 H2 TIP3 4539 60.721 7.389 3.904 1.00 0.00 WT1 H ATOM 14815 OH2 TIP3 4540 37.678 56.002 58.077 1.00 0.00 WT1 O ATOM 14816 H1 TIP3 4540 37.060 56.726 57.975 1.00 0.00 WT1 H ATOM 14817 H2 TIP3 4540 37.256 55.264 57.637 1.00 0.00 WT1 H ATOM 14818 OH2 TIP3 4541 83.975 93.068 23.787 1.00 0.00 WT1 O ATOM 14819 H1 TIP3 4541 83.675 92.491 23.084 1.00 0.00 WT1 H ATOM 14820 H2 TIP3 4541 83.177 93.481 24.115 1.00 0.00 WT1 H ATOM 14821 OH2 TIP3 4542 36.330 87.672 7.468 1.00 0.00 WT1 O ATOM 14822 H1 TIP3 4542 36.930 88.015 8.130 1.00 0.00 WT1 H ATOM 14823 H2 TIP3 4542 36.469 88.233 6.705 1.00 0.00 WT1 H ATOM 14824 OH2 TIP3 4544 37.497 20.716 52.890 1.00 0.00 WT1 O ATOM 14825 H1 TIP3 4544 37.589 21.493 53.441 1.00 0.00 WT1 H ATOM 14826 H2 TIP3 4544 37.069 21.035 52.095 1.00 0.00 WT1 H ATOM 14827 OH2 TIP3 4545 74.646 30.229 -6.975 1.00 0.00 WT1 O ATOM 14828 H1 TIP3 4545 74.177 30.935 -6.529 1.00 0.00 WT1 H ATOM 14829 H2 TIP3 4545 74.842 29.597 -6.284 1.00 0.00 WT1 H ATOM 14830 OH2 TIP3 4546 79.056 29.482 2.142 1.00 0.00 WT1 O ATOM 14831 H1 TIP3 4546 78.424 30.026 1.672 1.00 0.00 WT1 H ATOM 14832 H2 TIP3 4546 78.596 28.657 2.293 1.00 0.00 WT1 H ATOM 14833 OH2 TIP3 4547 37.870 59.470 51.783 1.00 0.00 WT1 O ATOM 14834 H1 TIP3 4547 38.730 59.436 51.364 1.00 0.00 WT1 H ATOM 14835 H2 TIP3 4547 37.600 58.554 51.853 1.00 0.00 WT1 H ATOM 14836 OH2 TIP3 4548 56.514 90.852 23.515 1.00 0.00 WT1 O ATOM 14837 H1 TIP3 4548 55.907 90.145 23.299 1.00 0.00 WT1 H ATOM 14838 H2 TIP3 4548 56.111 91.637 23.143 1.00 0.00 WT1 H ATOM 14839 OH2 TIP3 4549 29.185 17.408 64.739 1.00 0.00 WT1 O ATOM 14840 H1 TIP3 4549 29.816 18.127 64.754 1.00 0.00 WT1 H ATOM 14841 H2 TIP3 4549 28.429 17.743 65.221 1.00 0.00 WT1 H ATOM 14842 OH2 TIP3 4550 33.856 7.189 43.720 1.00 0.00 WT1 O ATOM 14843 H1 TIP3 4550 33.772 8.134 43.843 1.00 0.00 WT1 H ATOM 14844 H2 TIP3 4550 33.057 6.935 43.257 1.00 0.00 WT1 H ATOM 14845 OH2 TIP3 4552 58.643 12.301 27.860 1.00 0.00 WT1 O ATOM 14846 H1 TIP3 4552 59.191 12.464 27.093 1.00 0.00 WT1 H ATOM 14847 H2 TIP3 4552 58.985 12.893 28.530 1.00 0.00 WT1 H ATOM 14848 OH2 TIP3 4553 87.164 27.862 -13.294 1.00 0.00 WT1 O ATOM 14849 H1 TIP3 4553 87.839 28.511 -13.492 1.00 0.00 WT1 H ATOM 14850 H2 TIP3 4553 86.883 27.540 -14.151 1.00 0.00 WT1 H ATOM 14851 OH2 TIP3 4554 63.195 10.750 12.115 1.00 0.00 WT1 O ATOM 14852 H1 TIP3 4554 63.568 11.228 12.856 1.00 0.00 WT1 H ATOM 14853 H2 TIP3 4554 62.719 10.022 12.514 1.00 0.00 WT1 H ATOM 14854 OH2 TIP3 4555 24.378 6.400 10.353 1.00 0.00 WT1 O ATOM 14855 H1 TIP3 4555 25.143 6.626 9.822 1.00 0.00 WT1 H ATOM 14856 H2 TIP3 4555 24.639 6.607 11.250 1.00 0.00 WT1 H ATOM 14857 OH2 TIP3 4556 39.739 33.330 -17.858 1.00 0.00 WT1 O ATOM 14858 H1 TIP3 4556 39.734 34.134 -17.338 1.00 0.00 WT1 H ATOM 14859 H2 TIP3 4556 40.498 32.843 -17.540 1.00 0.00 WT1 H ATOM 14860 OH2 TIP3 4557 81.819 22.446 8.690 1.00 0.00 WT1 O ATOM 14861 H1 TIP3 4557 81.944 22.511 9.637 1.00 0.00 WT1 H ATOM 14862 H2 TIP3 4557 82.136 21.571 8.466 1.00 0.00 WT1 H ATOM 14863 OH2 TIP3 4558 65.083 29.623 -3.359 1.00 0.00 WT1 O ATOM 14864 H1 TIP3 4558 64.835 28.699 -3.382 1.00 0.00 WT1 H ATOM 14865 H2 TIP3 4558 66.014 29.628 -3.583 1.00 0.00 WT1 H ATOM 14866 OH2 TIP3 4559 76.453 91.160 25.738 1.00 0.00 WT1 O ATOM 14867 H1 TIP3 4559 76.602 92.102 25.813 1.00 0.00 WT1 H ATOM 14868 H2 TIP3 4559 76.243 90.879 26.629 1.00 0.00 WT1 H ATOM 14869 OH2 TIP3 4560 55.250 16.414 11.820 1.00 0.00 WT1 O ATOM 14870 H1 TIP3 4560 54.474 16.881 12.130 1.00 0.00 WT1 H ATOM 14871 H2 TIP3 4560 54.960 15.507 11.722 1.00 0.00 WT1 H ATOM 14872 OH2 TIP3 4561 24.543 31.207 -17.592 1.00 0.00 WT1 O ATOM 14873 H1 TIP3 4561 24.117 30.598 -16.988 1.00 0.00 WT1 H ATOM 14874 H2 TIP3 4561 25.475 31.140 -17.382 1.00 0.00 WT1 H ATOM 14875 OH2 TIP3 4562 21.883 94.404 41.780 1.00 0.00 WT1 O ATOM 14876 H1 TIP3 4562 22.166 94.224 40.883 1.00 0.00 WT1 H ATOM 14877 H2 TIP3 4562 22.283 93.708 42.302 1.00 0.00 WT1 H ATOM 14878 OH2 TIP3 4563 68.132 43.369 54.819 1.00 0.00 WT1 O ATOM 14879 H1 TIP3 4563 67.690 43.688 55.606 1.00 0.00 WT1 H ATOM 14880 H2 TIP3 4563 68.503 44.155 54.417 1.00 0.00 WT1 H ATOM 14881 OH2 TIP3 4564 29.272 65.403 -7.678 1.00 0.00 WT1 O ATOM 14882 H1 TIP3 4564 29.874 66.146 -7.638 1.00 0.00 WT1 H ATOM 14883 H2 TIP3 4564 28.539 65.657 -7.117 1.00 0.00 WT1 H ATOM 14884 OH2 TIP3 4565 37.169 44.633 0.112 1.00 0.00 WT1 O ATOM 14885 H1 TIP3 4565 37.897 44.614 0.733 1.00 0.00 WT1 H ATOM 14886 H2 TIP3 4565 36.466 45.084 0.580 1.00 0.00 WT1 H ATOM 14887 OH2 TIP3 4569 21.316 4.831 -1.230 1.00 0.00 WT1 O ATOM 14888 H1 TIP3 4569 22.130 4.334 -1.309 1.00 0.00 WT1 H ATOM 14889 H2 TIP3 4569 21.598 5.742 -1.145 1.00 0.00 WT1 H ATOM 14890 OH2 TIP3 4570 79.022 55.005 61.921 1.00 0.00 WT1 O ATOM 14891 H1 TIP3 4570 79.655 55.685 62.153 1.00 0.00 WT1 H ATOM 14892 H2 TIP3 4570 78.290 55.143 62.522 1.00 0.00 WT1 H ATOM 14893 OH2 TIP3 4571 85.065 4.456 8.302 1.00 0.00 WT1 O ATOM 14894 H1 TIP3 4571 85.258 5.388 8.401 1.00 0.00 WT1 H ATOM 14895 H2 TIP3 4571 85.449 4.048 9.078 1.00 0.00 WT1 H ATOM 14896 OH2 TIP3 4573 58.083 35.350 9.311 1.00 0.00 WT1 O ATOM 14897 H1 TIP3 4573 57.170 35.622 9.400 1.00 0.00 WT1 H ATOM 14898 H2 TIP3 4573 58.454 35.466 10.185 1.00 0.00 WT1 H ATOM 14899 OH2 TIP3 4574 36.753 20.249 -14.024 1.00 0.00 WT1 O ATOM 14900 H1 TIP3 4574 35.975 19.840 -13.644 1.00 0.00 WT1 H ATOM 14901 H2 TIP3 4574 36.407 20.892 -14.644 1.00 0.00 WT1 H ATOM 14902 OH2 TIP3 4575 21.591 55.114 20.976 1.00 0.00 WT1 O ATOM 14903 H1 TIP3 4575 22.259 54.600 21.429 1.00 0.00 WT1 H ATOM 14904 H2 TIP3 4575 21.070 54.466 20.502 1.00 0.00 WT1 H ATOM 14905 OH2 TIP3 4576 42.417 9.690 39.603 1.00 0.00 WT1 O ATOM 14906 H1 TIP3 4576 42.802 8.978 39.093 1.00 0.00 WT1 H ATOM 14907 H2 TIP3 4576 42.710 9.529 40.500 1.00 0.00 WT1 H ATOM 14908 OH2 TIP3 4577 86.040 88.332 13.415 1.00 0.00 WT1 O ATOM 14909 H1 TIP3 4577 85.720 89.167 13.758 1.00 0.00 WT1 H ATOM 14910 H2 TIP3 4577 86.607 87.991 14.106 1.00 0.00 WT1 H ATOM 14911 OH2 TIP3 4578 49.574 35.087 64.654 1.00 0.00 WT1 O ATOM 14912 H1 TIP3 4578 49.831 34.501 65.366 1.00 0.00 WT1 H ATOM 14913 H2 TIP3 4578 49.222 35.860 65.095 1.00 0.00 WT1 H ATOM 14914 OH2 TIP3 4579 49.523 23.108 -0.672 1.00 0.00 WT1 O ATOM 14915 H1 TIP3 4579 48.925 23.419 0.008 1.00 0.00 WT1 H ATOM 14916 H2 TIP3 4579 49.297 23.624 -1.445 1.00 0.00 WT1 H ATOM 14917 OH2 TIP3 4580 48.984 7.332 49.006 1.00 0.00 WT1 O ATOM 14918 H1 TIP3 4580 48.344 8.002 48.767 1.00 0.00 WT1 H ATOM 14919 H2 TIP3 4580 48.458 6.606 49.343 1.00 0.00 WT1 H ATOM 14920 OH2 TIP3 4581 53.273 32.024 37.867 1.00 0.00 WT1 O ATOM 14921 H1 TIP3 4581 53.360 31.100 38.100 1.00 0.00 WT1 H ATOM 14922 H2 TIP3 4581 52.930 32.014 36.973 1.00 0.00 WT1 H ATOM 14923 OH2 TIP3 4582 54.849 43.472 40.407 1.00 0.00 WT1 O ATOM 14924 H1 TIP3 4582 54.058 43.394 39.874 1.00 0.00 WT1 H ATOM 14925 H2 TIP3 4582 55.105 44.391 40.323 1.00 0.00 WT1 H ATOM 14926 OH2 TIP3 4583 88.493 55.625 15.447 1.00 0.00 WT1 O ATOM 14927 H1 TIP3 4583 88.928 56.022 16.202 1.00 0.00 WT1 H ATOM 14928 H2 TIP3 4583 88.588 54.683 15.583 1.00 0.00 WT1 H ATOM 14929 OH2 TIP3 4584 50.479 1.150 -12.166 1.00 0.00 WT1 O ATOM 14930 H1 TIP3 4584 50.385 1.992 -12.613 1.00 0.00 WT1 H ATOM 14931 H2 TIP3 4584 49.587 0.912 -11.914 1.00 0.00 WT1 H ATOM 14932 OH2 TIP3 4586 72.209 6.399 57.478 1.00 0.00 WT1 O ATOM 14933 H1 TIP3 4586 71.589 6.594 56.774 1.00 0.00 WT1 H ATOM 14934 H2 TIP3 4586 71.739 6.624 58.281 1.00 0.00 WT1 H ATOM 14935 OH2 TIP3 4588 46.410 59.188 54.840 1.00 0.00 WT1 O ATOM 14936 H1 TIP3 4588 45.558 58.755 54.885 1.00 0.00 WT1 H ATOM 14937 H2 TIP3 4588 46.253 59.971 54.312 1.00 0.00 WT1 H ATOM 14938 OH2 TIP3 4589 42.811 54.787 56.687 1.00 0.00 WT1 O ATOM 14939 H1 TIP3 4589 42.655 54.360 57.530 1.00 0.00 WT1 H ATOM 14940 H2 TIP3 4589 43.717 55.091 56.737 1.00 0.00 WT1 H ATOM 14941 OH2 TIP3 4591 75.397 59.571 31.378 1.00 0.00 WT1 O ATOM 14942 H1 TIP3 4591 74.795 58.827 31.366 1.00 0.00 WT1 H ATOM 14943 H2 TIP3 4591 74.831 60.336 31.483 1.00 0.00 WT1 H ATOM 14944 OH2 TIP3 4594 41.314 14.989 9.475 1.00 0.00 WT1 O ATOM 14945 H1 TIP3 4594 41.422 14.931 10.425 1.00 0.00 WT1 H ATOM 14946 H2 TIP3 4594 42.170 14.745 9.122 1.00 0.00 WT1 H ATOM 14947 OH2 TIP3 4596 77.158 96.564 27.781 1.00 0.00 WT1 O ATOM 14948 H1 TIP3 4596 76.631 96.191 28.488 1.00 0.00 WT1 H ATOM 14949 H2 TIP3 4596 76.564 97.161 27.327 1.00 0.00 WT1 H ATOM 14950 OH2 TIP3 4597 83.268 61.274 58.223 1.00 0.00 WT1 O ATOM 14951 H1 TIP3 4597 82.575 61.246 57.564 1.00 0.00 WT1 H ATOM 14952 H2 TIP3 4597 83.779 60.480 58.068 1.00 0.00 WT1 H ATOM 14953 OH2 TIP3 4598 41.780 48.379 37.242 1.00 0.00 WT1 O ATOM 14954 H1 TIP3 4598 41.386 49.242 37.368 1.00 0.00 WT1 H ATOM 14955 H2 TIP3 4598 42.119 48.397 36.348 1.00 0.00 WT1 H ATOM 14956 OH2 TIP3 4599 40.904 0.293 3.609 1.00 0.00 WT1 O ATOM 14957 H1 TIP3 4599 40.498 0.049 2.777 1.00 0.00 WT1 H ATOM 14958 H2 TIP3 4599 41.307 -0.516 3.925 1.00 0.00 WT1 H ATOM 14959 OH2 TIP3 4600 68.481 54.105 19.977 1.00 0.00 WT1 O ATOM 14960 H1 TIP3 4600 68.108 54.733 20.596 1.00 0.00 WT1 H ATOM 14961 H2 TIP3 4600 67.884 54.123 19.229 1.00 0.00 WT1 H ATOM 14962 OH2 TIP3 4601 26.200 73.748 22.026 1.00 0.00 WT1 O ATOM 14963 H1 TIP3 4601 26.779 72.986 22.053 1.00 0.00 WT1 H ATOM 14964 H2 TIP3 4601 25.320 73.385 22.117 1.00 0.00 WT1 H ATOM 14965 OH2 TIP3 4602 73.702 45.124 -9.022 1.00 0.00 WT1 O ATOM 14966 H1 TIP3 4602 74.589 45.431 -8.835 1.00 0.00 WT1 H ATOM 14967 H2 TIP3 4602 73.185 45.416 -8.271 1.00 0.00 WT1 H ATOM 14968 OH2 TIP3 4603 75.463 57.381 -15.318 1.00 0.00 WT1 O ATOM 14969 H1 TIP3 4603 74.825 57.610 -14.643 1.00 0.00 WT1 H ATOM 14970 H2 TIP3 4603 76.304 57.666 -14.961 1.00 0.00 WT1 H ATOM 14971 OH2 TIP3 4605 57.194 14.517 -17.970 1.00 0.00 WT1 O ATOM 14972 H1 TIP3 4605 56.473 14.016 -17.589 1.00 0.00 WT1 H ATOM 14973 H2 TIP3 4605 57.962 13.957 -17.856 1.00 0.00 WT1 H ATOM 14974 OH2 TIP3 4606 89.066 17.814 46.171 1.00 0.00 WT1 O ATOM 14975 H1 TIP3 4606 88.120 17.687 46.106 1.00 0.00 WT1 H ATOM 14976 H2 TIP3 4606 89.415 17.441 45.361 1.00 0.00 WT1 H ATOM 14977 OH2 TIP3 4607 62.886 2.086 30.436 1.00 0.00 WT1 O ATOM 14978 H1 TIP3 4607 63.034 2.745 29.758 1.00 0.00 WT1 H ATOM 14979 H2 TIP3 4607 63.656 2.145 31.002 1.00 0.00 WT1 H ATOM 14980 OH2 TIP3 4609 31.492 43.963 22.096 1.00 0.00 WT1 O ATOM 14981 H1 TIP3 4609 31.789 43.314 22.734 1.00 0.00 WT1 H ATOM 14982 H2 TIP3 4609 31.549 44.799 22.558 1.00 0.00 WT1 H ATOM 14983 OH2 TIP3 4610 44.517 67.284 -9.358 1.00 0.00 WT1 O ATOM 14984 H1 TIP3 4610 43.648 67.666 -9.475 1.00 0.00 WT1 H ATOM 14985 H2 TIP3 4610 44.773 67.537 -8.471 1.00 0.00 WT1 H ATOM 14986 OH2 TIP3 4612 64.610 83.274 16.254 1.00 0.00 WT1 O ATOM 14987 H1 TIP3 4612 65.221 83.758 15.697 1.00 0.00 WT1 H ATOM 14988 H2 TIP3 4612 65.007 82.408 16.348 1.00 0.00 WT1 H ATOM 14989 OH2 TIP3 4616 82.132 65.300 24.721 1.00 0.00 WT1 O ATOM 14990 H1 TIP3 4616 81.872 64.914 23.885 1.00 0.00 WT1 H ATOM 14991 H2 TIP3 4616 82.151 64.561 25.330 1.00 0.00 WT1 H ATOM 14992 OH2 TIP3 4619 30.895 16.959 10.463 1.00 0.00 WT1 O ATOM 14993 H1 TIP3 4619 30.134 16.800 9.904 1.00 0.00 WT1 H ATOM 14994 H2 TIP3 4619 30.524 17.141 11.326 1.00 0.00 WT1 H ATOM 14995 OH2 TIP3 4620 33.893 74.782 45.551 1.00 0.00 WT1 O ATOM 14996 H1 TIP3 4620 34.584 74.988 44.921 1.00 0.00 WT1 H ATOM 14997 H2 TIP3 4620 34.075 75.349 46.300 1.00 0.00 WT1 H ATOM 14998 OH2 TIP3 4621 73.764 47.280 3.396 1.00 0.00 WT1 O ATOM 14999 H1 TIP3 4621 73.573 46.713 4.143 1.00 0.00 WT1 H ATOM 15000 H2 TIP3 4621 73.483 48.151 3.677 1.00 0.00 WT1 H ATOM 15001 OH2 TIP3 4622 23.637 37.530 11.998 1.00 0.00 WT1 O ATOM 15002 H1 TIP3 4622 23.596 38.468 11.812 1.00 0.00 WT1 H ATOM 15003 H2 TIP3 4622 22.723 37.248 12.015 1.00 0.00 WT1 H ATOM 15004 OH2 TIP3 4623 60.374 93.140 -14.840 1.00 0.00 WT1 O ATOM 15005 H1 TIP3 4623 59.436 93.310 -14.927 1.00 0.00 WT1 H ATOM 15006 H2 TIP3 4623 60.457 92.193 -14.951 1.00 0.00 WT1 H ATOM 15007 OH2 TIP3 4624 69.983 18.270 9.664 1.00 0.00 WT1 O ATOM 15008 H1 TIP3 4624 69.784 18.161 10.594 1.00 0.00 WT1 H ATOM 15009 H2 TIP3 4624 69.198 18.676 9.296 1.00 0.00 WT1 H ATOM 15010 OH2 TIP3 4625 42.490 49.981 -1.642 1.00 0.00 WT1 O ATOM 15011 H1 TIP3 4625 41.745 50.135 -1.062 1.00 0.00 WT1 H ATOM 15012 H2 TIP3 4625 42.554 50.779 -2.168 1.00 0.00 WT1 H ATOM 15013 OH2 TIP3 4626 51.027 26.193 36.229 1.00 0.00 WT1 O ATOM 15014 H1 TIP3 4626 51.543 26.889 35.822 1.00 0.00 WT1 H ATOM 15015 H2 TIP3 4626 50.129 26.523 36.218 1.00 0.00 WT1 H ATOM 15016 OH2 TIP3 4627 56.485 57.887 63.309 1.00 0.00 WT1 O ATOM 15017 H1 TIP3 4627 56.005 57.649 64.103 1.00 0.00 WT1 H ATOM 15018 H2 TIP3 4627 55.805 58.017 62.648 1.00 0.00 WT1 H ATOM 15019 OH2 TIP3 4628 45.271 8.965 32.045 1.00 0.00 WT1 O ATOM 15020 H1 TIP3 4628 45.096 8.026 31.982 1.00 0.00 WT1 H ATOM 15021 H2 TIP3 4628 45.328 9.259 31.136 1.00 0.00 WT1 H ATOM 15022 OH2 TIP3 4629 51.006 47.421 1.257 1.00 0.00 WT1 O ATOM 15023 H1 TIP3 4629 51.313 46.594 1.631 1.00 0.00 WT1 H ATOM 15024 H2 TIP3 4629 51.738 47.729 0.723 1.00 0.00 WT1 H ATOM 15025 OH2 TIP3 4631 30.011 28.118 43.423 1.00 0.00 WT1 O ATOM 15026 H1 TIP3 4631 30.509 28.735 43.959 1.00 0.00 WT1 H ATOM 15027 H2 TIP3 4631 30.521 27.308 43.453 1.00 0.00 WT1 H ATOM 15028 OH2 TIP3 4632 49.720 95.454 22.705 1.00 0.00 WT1 O ATOM 15029 H1 TIP3 4632 49.907 95.124 21.826 1.00 0.00 WT1 H ATOM 15030 H2 TIP3 4632 48.866 95.879 22.626 1.00 0.00 WT1 H ATOM 15031 OH2 TIP3 4633 34.215 13.030 9.051 1.00 0.00 WT1 O ATOM 15032 H1 TIP3 4633 34.718 13.654 8.529 1.00 0.00 WT1 H ATOM 15033 H2 TIP3 4633 34.476 13.207 9.955 1.00 0.00 WT1 H ATOM 15034 OH2 TIP3 4637 23.576 50.724 -6.752 1.00 0.00 WT1 O ATOM 15035 H1 TIP3 4637 22.943 50.211 -7.255 1.00 0.00 WT1 H ATOM 15036 H2 TIP3 4637 23.328 51.635 -6.911 1.00 0.00 WT1 H ATOM 15037 OH2 TIP3 4638 64.763 95.270 -15.467 1.00 0.00 WT1 O ATOM 15038 H1 TIP3 4638 64.941 94.394 -15.126 1.00 0.00 WT1 H ATOM 15039 H2 TIP3 4638 63.810 95.353 -15.434 1.00 0.00 WT1 H ATOM 15040 OH2 TIP3 4639 69.867 13.008 41.943 1.00 0.00 WT1 O ATOM 15041 H1 TIP3 4639 69.816 12.472 41.151 1.00 0.00 WT1 H ATOM 15042 H2 TIP3 4639 69.317 12.550 42.579 1.00 0.00 WT1 H ATOM 15043 OH2 TIP3 4640 79.388 32.543 48.965 1.00 0.00 WT1 O ATOM 15044 H1 TIP3 4640 79.722 31.653 48.851 1.00 0.00 WT1 H ATOM 15045 H2 TIP3 4640 78.478 32.496 48.671 1.00 0.00 WT1 H ATOM 15046 OH2 TIP3 4641 61.086 17.570 12.169 1.00 0.00 WT1 O ATOM 15047 H1 TIP3 4641 61.876 17.822 12.647 1.00 0.00 WT1 H ATOM 15048 H2 TIP3 4641 60.506 17.209 12.839 1.00 0.00 WT1 H ATOM 15049 OH2 TIP3 4643 26.892 28.908 -15.428 1.00 0.00 WT1 O ATOM 15050 H1 TIP3 4643 27.032 29.795 -15.759 1.00 0.00 WT1 H ATOM 15051 H2 TIP3 4643 26.019 28.670 -15.741 1.00 0.00 WT1 H ATOM 15052 OH2 TIP3 4645 21.333 17.920 65.914 1.00 0.00 WT1 O ATOM 15053 H1 TIP3 4645 21.405 18.871 65.994 1.00 0.00 WT1 H ATOM 15054 H2 TIP3 4645 22.239 17.612 65.885 1.00 0.00 WT1 H ATOM 15055 OH2 TIP3 4647 35.961 35.405 12.266 1.00 0.00 WT1 O ATOM 15056 H1 TIP3 4647 35.944 36.299 12.607 1.00 0.00 WT1 H ATOM 15057 H2 TIP3 4647 36.771 35.355 11.760 1.00 0.00 WT1 H ATOM 15058 OH2 TIP3 4648 52.589 46.257 42.552 1.00 0.00 WT1 O ATOM 15059 H1 TIP3 4648 52.713 45.623 41.846 1.00 0.00 WT1 H ATOM 15060 H2 TIP3 4648 51.743 46.028 42.935 1.00 0.00 WT1 H ATOM 15061 OH2 TIP3 4649 58.491 56.161 -19.473 1.00 0.00 WT1 O ATOM 15062 H1 TIP3 4649 58.526 55.768 -18.602 1.00 0.00 WT1 H ATOM 15063 H2 TIP3 4649 57.557 56.278 -19.647 1.00 0.00 WT1 H ATOM 15064 OH2 TIP3 4650 29.065 35.679 20.041 1.00 0.00 WT1 O ATOM 15065 H1 TIP3 4650 29.086 35.583 19.089 1.00 0.00 WT1 H ATOM 15066 H2 TIP3 4650 28.563 36.480 20.191 1.00 0.00 WT1 H ATOM 15067 OH2 TIP3 4653 30.577 83.192 16.102 1.00 0.00 WT1 O ATOM 15068 H1 TIP3 4653 30.837 83.170 17.024 1.00 0.00 WT1 H ATOM 15069 H2 TIP3 4653 30.720 84.100 15.835 1.00 0.00 WT1 H ATOM 15070 OH2 TIP3 4654 27.966 76.005 30.601 1.00 0.00 WT1 O ATOM 15071 H1 TIP3 4654 27.533 76.117 29.754 1.00 0.00 WT1 H ATOM 15072 H2 TIP3 4654 28.353 76.860 30.787 1.00 0.00 WT1 H ATOM 15073 OH2 TIP3 4656 38.847 58.067 -15.942 1.00 0.00 WT1 O ATOM 15074 H1 TIP3 4656 39.164 57.452 -15.281 1.00 0.00 WT1 H ATOM 15075 H2 TIP3 4656 39.128 57.690 -16.775 1.00 0.00 WT1 H ATOM 15076 OH2 TIP3 4657 41.921 20.840 47.535 1.00 0.00 WT1 O ATOM 15077 H1 TIP3 4657 41.390 20.612 46.771 1.00 0.00 WT1 H ATOM 15078 H2 TIP3 4657 42.600 21.420 47.191 1.00 0.00 WT1 H ATOM 15079 OH2 TIP3 4658 56.699 40.498 -8.481 1.00 0.00 WT1 O ATOM 15080 H1 TIP3 4658 55.809 40.538 -8.133 1.00 0.00 WT1 H ATOM 15081 H2 TIP3 4658 56.616 40.791 -9.388 1.00 0.00 WT1 H ATOM 15082 OH2 TIP3 4660 70.898 33.336 18.604 1.00 0.00 WT1 O ATOM 15083 H1 TIP3 4660 70.954 33.945 17.867 1.00 0.00 WT1 H ATOM 15084 H2 TIP3 4660 70.262 33.736 19.198 1.00 0.00 WT1 H ATOM 15085 OH2 TIP3 4661 36.782 48.572 52.229 1.00 0.00 WT1 O ATOM 15086 H1 TIP3 4661 37.447 48.764 51.567 1.00 0.00 WT1 H ATOM 15087 H2 TIP3 4661 36.472 49.431 52.514 1.00 0.00 WT1 H ATOM 15088 OH2 TIP3 4662 22.140 61.418 30.801 1.00 0.00 WT1 O ATOM 15089 H1 TIP3 4662 22.851 62.057 30.842 1.00 0.00 WT1 H ATOM 15090 H2 TIP3 4662 21.344 61.948 30.750 1.00 0.00 WT1 H ATOM 15091 OH2 TIP3 4663 24.663 1.039 54.699 1.00 0.00 WT1 O ATOM 15092 H1 TIP3 4663 25.326 0.527 54.235 1.00 0.00 WT1 H ATOM 15093 H2 TIP3 4663 24.510 1.799 54.137 1.00 0.00 WT1 H ATOM 15094 OH2 TIP3 4664 29.308 46.936 -11.561 1.00 0.00 WT1 O ATOM 15095 H1 TIP3 4664 29.882 47.698 -11.485 1.00 0.00 WT1 H ATOM 15096 H2 TIP3 4664 29.012 46.768 -10.666 1.00 0.00 WT1 H ATOM 15097 OH2 TIP3 4665 66.910 69.386 48.995 1.00 0.00 WT1 O ATOM 15098 H1 TIP3 4665 66.603 69.161 48.117 1.00 0.00 WT1 H ATOM 15099 H2 TIP3 4665 67.275 68.570 49.338 1.00 0.00 WT1 H ATOM 15100 OH2 TIP3 4666 62.476 35.771 16.613 1.00 0.00 WT1 O ATOM 15101 H1 TIP3 4666 61.736 35.164 16.627 1.00 0.00 WT1 H ATOM 15102 H2 TIP3 4666 62.177 36.503 16.074 1.00 0.00 WT1 H ATOM 15103 OH2 TIP3 4667 88.567 4.075 64.739 1.00 0.00 WT1 O ATOM 15104 H1 TIP3 4667 88.531 4.330 65.660 1.00 0.00 WT1 H ATOM 15105 H2 TIP3 4667 88.912 4.846 64.289 1.00 0.00 WT1 H ATOM 15106 OH2 TIP3 4668 77.552 59.930 65.951 1.00 0.00 WT1 O ATOM 15107 H1 TIP3 4668 77.049 59.905 66.765 1.00 0.00 WT1 H ATOM 15108 H2 TIP3 4668 76.976 59.530 65.301 1.00 0.00 WT1 H ATOM 15109 OH2 TIP3 4669 54.621 39.698 11.042 1.00 0.00 WT1 O ATOM 15110 H1 TIP3 4669 54.320 39.473 11.923 1.00 0.00 WT1 H ATOM 15111 H2 TIP3 4669 55.021 40.562 11.138 1.00 0.00 WT1 H ATOM 15112 OH2 TIP3 4670 72.908 47.637 14.505 1.00 0.00 WT1 O ATOM 15113 H1 TIP3 4670 72.130 47.226 14.128 1.00 0.00 WT1 H ATOM 15114 H2 TIP3 4670 72.566 48.229 15.174 1.00 0.00 WT1 H ATOM 15115 OH2 TIP3 4672 68.835 46.591 25.101 1.00 0.00 WT1 O ATOM 15116 H1 TIP3 4672 68.831 45.800 25.640 1.00 0.00 WT1 H ATOM 15117 H2 TIP3 4672 67.909 46.798 24.973 1.00 0.00 WT1 H ATOM 15118 OH2 TIP3 4673 30.523 73.564 14.457 1.00 0.00 WT1 O ATOM 15119 H1 TIP3 4673 31.097 72.802 14.541 1.00 0.00 WT1 H ATOM 15120 H2 TIP3 4673 30.983 74.263 14.922 1.00 0.00 WT1 H ATOM 15121 OH2 TIP3 4679 68.789 23.873 42.762 1.00 0.00 WT1 O ATOM 15122 H1 TIP3 4679 68.255 23.942 43.554 1.00 0.00 WT1 H ATOM 15123 H2 TIP3 4679 69.353 23.115 42.919 1.00 0.00 WT1 H ATOM 15124 OH2 TIP3 4680 78.920 4.391 42.521 1.00 0.00 WT1 O ATOM 15125 H1 TIP3 4680 79.609 4.932 42.906 1.00 0.00 WT1 H ATOM 15126 H2 TIP3 4680 78.700 4.831 41.700 1.00 0.00 WT1 H ATOM 15127 OH2 TIP3 4681 76.911 55.417 63.556 1.00 0.00 WT1 O ATOM 15128 H1 TIP3 4681 75.992 55.166 63.459 1.00 0.00 WT1 H ATOM 15129 H2 TIP3 4681 76.941 55.901 64.382 1.00 0.00 WT1 H ATOM 15130 OH2 TIP3 4682 74.393 44.759 65.676 1.00 0.00 WT1 O ATOM 15131 H1 TIP3 4682 73.877 43.974 65.862 1.00 0.00 WT1 H ATOM 15132 H2 TIP3 4682 73.769 45.480 65.755 1.00 0.00 WT1 H ATOM 15133 OH2 TIP3 4683 45.514 3.855 28.745 1.00 0.00 WT1 O ATOM 15134 H1 TIP3 4683 45.679 3.480 29.611 1.00 0.00 WT1 H ATOM 15135 H2 TIP3 4683 45.199 3.118 28.221 1.00 0.00 WT1 H ATOM 15136 OH2 TIP3 4684 67.974 75.355 19.057 1.00 0.00 WT1 O ATOM 15137 H1 TIP3 4684 68.469 76.012 18.568 1.00 0.00 WT1 H ATOM 15138 H2 TIP3 4684 67.207 75.178 18.513 1.00 0.00 WT1 H ATOM 15139 OH2 TIP3 4685 31.968 66.140 1.545 1.00 0.00 WT1 O ATOM 15140 H1 TIP3 4685 31.415 66.346 0.792 1.00 0.00 WT1 H ATOM 15141 H2 TIP3 4685 31.438 65.547 2.078 1.00 0.00 WT1 H ATOM 15142 OH2 TIP3 4686 35.704 4.202 66.040 1.00 0.00 WT1 O ATOM 15143 H1 TIP3 4686 36.633 3.988 65.960 1.00 0.00 WT1 H ATOM 15144 H2 TIP3 4686 35.606 4.515 66.940 1.00 0.00 WT1 H ATOM 15145 OH2 TIP3 4687 85.114 2.292 37.937 1.00 0.00 WT1 O ATOM 15146 H1 TIP3 4687 84.319 1.794 38.129 1.00 0.00 WT1 H ATOM 15147 H2 TIP3 4687 85.451 2.546 38.797 1.00 0.00 WT1 H ATOM 15148 OH2 TIP3 4690 40.165 19.125 -3.256 1.00 0.00 WT1 O ATOM 15149 H1 TIP3 4690 40.639 18.296 -3.195 1.00 0.00 WT1 H ATOM 15150 H2 TIP3 4690 39.762 19.236 -2.395 1.00 0.00 WT1 H ATOM 15151 OH2 TIP3 4691 30.607 56.938 20.437 1.00 0.00 WT1 O ATOM 15152 H1 TIP3 4691 31.448 56.485 20.378 1.00 0.00 WT1 H ATOM 15153 H2 TIP3 4691 30.801 57.743 20.916 1.00 0.00 WT1 H ATOM 15154 OH2 TIP3 4694 39.973 59.993 46.675 1.00 0.00 WT1 O ATOM 15155 H1 TIP3 4694 40.498 59.404 47.216 1.00 0.00 WT1 H ATOM 15156 H2 TIP3 4694 40.474 60.086 45.865 1.00 0.00 WT1 H ATOM 15157 OH2 TIP3 4701 44.348 6.790 29.663 1.00 0.00 WT1 O ATOM 15158 H1 TIP3 4701 43.566 6.648 30.196 1.00 0.00 WT1 H ATOM 15159 H2 TIP3 4701 45.078 6.609 30.254 1.00 0.00 WT1 H ATOM 15160 OH2 TIP3 4702 58.319 38.685 34.892 1.00 0.00 WT1 O ATOM 15161 H1 TIP3 4702 57.576 38.121 35.110 1.00 0.00 WT1 H ATOM 15162 H2 TIP3 4702 59.085 38.119 34.988 1.00 0.00 WT1 H ATOM 15163 OH2 TIP3 4703 32.669 48.661 63.361 1.00 0.00 WT1 O ATOM 15164 H1 TIP3 4703 33.554 48.711 63.722 1.00 0.00 WT1 H ATOM 15165 H2 TIP3 4703 32.162 48.200 64.030 1.00 0.00 WT1 H ATOM 15166 OH2 TIP3 4704 40.557 73.940 6.834 1.00 0.00 WT1 O ATOM 15167 H1 TIP3 4704 40.970 73.078 6.894 1.00 0.00 WT1 H ATOM 15168 H2 TIP3 4704 41.231 74.550 7.134 1.00 0.00 WT1 H ATOM 15169 OH2 TIP3 4705 68.145 84.576 20.132 1.00 0.00 WT1 O ATOM 15170 H1 TIP3 4705 67.614 84.500 20.924 1.00 0.00 WT1 H ATOM 15171 H2 TIP3 4705 68.003 85.474 19.833 1.00 0.00 WT1 H ATOM 15172 OH2 TIP3 4706 42.542 8.169 59.874 1.00 0.00 WT1 O ATOM 15173 H1 TIP3 4706 41.904 8.290 60.578 1.00 0.00 WT1 H ATOM 15174 H2 TIP3 4706 43.375 8.037 60.325 1.00 0.00 WT1 H ATOM 15175 OH2 TIP3 4707 61.124 57.625 25.818 1.00 0.00 WT1 O ATOM 15176 H1 TIP3 4707 60.767 57.325 24.982 1.00 0.00 WT1 H ATOM 15177 H2 TIP3 4707 60.559 57.223 26.478 1.00 0.00 WT1 H ATOM 15178 OH2 TIP3 4708 52.031 38.875 26.873 1.00 0.00 WT1 O ATOM 15179 H1 TIP3 4708 51.913 38.958 25.927 1.00 0.00 WT1 H ATOM 15180 H2 TIP3 4708 51.820 37.960 27.062 1.00 0.00 WT1 H ATOM 15181 OH2 TIP3 4709 38.567 28.883 56.762 1.00 0.00 WT1 O ATOM 15182 H1 TIP3 4709 38.330 28.040 56.376 1.00 0.00 WT1 H ATOM 15183 H2 TIP3 4709 38.362 28.787 57.692 1.00 0.00 WT1 H ATOM 15184 OH2 TIP3 4710 61.517 24.576 24.708 1.00 0.00 WT1 O ATOM 15185 H1 TIP3 4710 60.651 24.921 24.490 1.00 0.00 WT1 H ATOM 15186 H2 TIP3 4710 62.122 25.276 24.463 1.00 0.00 WT1 H ATOM 15187 OH2 TIP3 4712 23.431 37.176 24.885 1.00 0.00 WT1 O ATOM 15188 H1 TIP3 4712 23.795 37.546 24.080 1.00 0.00 WT1 H ATOM 15189 H2 TIP3 4712 23.738 37.761 25.578 1.00 0.00 WT1 H ATOM 15190 OH2 TIP3 4713 53.034 33.578 15.510 1.00 0.00 WT1 O ATOM 15191 H1 TIP3 4713 52.135 33.699 15.817 1.00 0.00 WT1 H ATOM 15192 H2 TIP3 4713 53.316 32.757 15.914 1.00 0.00 WT1 H ATOM 15193 OH2 TIP3 4717 65.546 37.984 -15.358 1.00 0.00 WT1 O ATOM 15194 H1 TIP3 4717 66.412 37.612 -15.526 1.00 0.00 WT1 H ATOM 15195 H2 TIP3 4717 64.940 37.258 -15.506 1.00 0.00 WT1 H ATOM 15196 OH2 TIP3 4719 67.438 3.798 37.368 1.00 0.00 WT1 O ATOM 15197 H1 TIP3 4719 66.778 3.985 36.701 1.00 0.00 WT1 H ATOM 15198 H2 TIP3 4719 67.747 2.916 37.159 1.00 0.00 WT1 H ATOM 15199 OH2 TIP3 4721 26.349 36.336 31.363 1.00 0.00 WT1 O ATOM 15200 H1 TIP3 4721 25.576 36.574 31.875 1.00 0.00 WT1 H ATOM 15201 H2 TIP3 4721 26.704 37.173 31.062 1.00 0.00 WT1 H ATOM 15202 OH2 TIP3 4722 50.410 49.385 58.222 1.00 0.00 WT1 O ATOM 15203 H1 TIP3 4722 50.717 49.966 57.526 1.00 0.00 WT1 H ATOM 15204 H2 TIP3 4722 51.184 49.230 58.764 1.00 0.00 WT1 H ATOM 15205 OH2 TIP3 4723 68.748 56.173 32.406 1.00 0.00 WT1 O ATOM 15206 H1 TIP3 4723 68.210 56.571 33.090 1.00 0.00 WT1 H ATOM 15207 H2 TIP3 4723 68.405 56.536 31.589 1.00 0.00 WT1 H ATOM 15208 OH2 TIP3 4724 59.601 41.048 35.360 1.00 0.00 WT1 O ATOM 15209 H1 TIP3 4724 60.529 40.969 35.140 1.00 0.00 WT1 H ATOM 15210 H2 TIP3 4724 59.582 41.642 36.110 1.00 0.00 WT1 H ATOM 15211 OH2 TIP3 4725 49.336 80.200 54.106 1.00 0.00 WT1 O ATOM 15212 H1 TIP3 4725 49.147 80.144 55.042 1.00 0.00 WT1 H ATOM 15213 H2 TIP3 4725 50.191 80.627 54.059 1.00 0.00 WT1 H ATOM 15214 OH2 TIP3 4726 69.781 65.919 -8.793 1.00 0.00 WT1 O ATOM 15215 H1 TIP3 4726 70.571 65.750 -9.305 1.00 0.00 WT1 H ATOM 15216 H2 TIP3 4726 69.293 65.096 -8.826 1.00 0.00 WT1 H ATOM 15217 OH2 TIP3 4727 27.126 31.712 33.631 1.00 0.00 WT1 O ATOM 15218 H1 TIP3 4727 27.327 32.529 34.089 1.00 0.00 WT1 H ATOM 15219 H2 TIP3 4727 26.320 31.399 34.042 1.00 0.00 WT1 H ATOM 15220 OH2 TIP3 4729 67.761 24.448 15.274 1.00 0.00 WT1 O ATOM 15221 H1 TIP3 4729 67.649 23.504 15.393 1.00 0.00 WT1 H ATOM 15222 H2 TIP3 4729 67.665 24.814 16.153 1.00 0.00 WT1 H ATOM 15223 OH2 TIP3 4732 79.244 92.356 -17.991 1.00 0.00 WT1 O ATOM 15224 H1 TIP3 4732 78.988 93.278 -17.961 1.00 0.00 WT1 H ATOM 15225 H2 TIP3 4732 78.887 91.981 -17.187 1.00 0.00 WT1 H ATOM 15226 OH2 TIP3 4733 74.749 69.652 34.281 1.00 0.00 WT1 O ATOM 15227 H1 TIP3 4733 75.102 69.022 33.653 1.00 0.00 WT1 H ATOM 15228 H2 TIP3 4733 73.821 69.429 34.348 1.00 0.00 WT1 H ATOM 15229 OH2 TIP3 4736 32.455 64.909 19.743 1.00 0.00 WT1 O ATOM 15230 H1 TIP3 4736 33.068 64.306 20.162 1.00 0.00 WT1 H ATOM 15231 H2 TIP3 4736 32.518 64.707 18.810 1.00 0.00 WT1 H ATOM 15232 OH2 TIP3 4737 57.162 49.435 32.698 1.00 0.00 WT1 O ATOM 15233 H1 TIP3 4737 57.785 50.052 32.315 1.00 0.00 WT1 H ATOM 15234 H2 TIP3 4737 56.442 49.399 32.068 1.00 0.00 WT1 H ATOM 15235 OH2 TIP3 4739 79.609 56.880 57.541 1.00 0.00 WT1 O ATOM 15236 H1 TIP3 4739 79.913 57.771 57.712 1.00 0.00 WT1 H ATOM 15237 H2 TIP3 4739 78.978 56.974 56.828 1.00 0.00 WT1 H ATOM 15238 OH2 TIP3 4743 46.734 47.904 6.123 1.00 0.00 WT1 O ATOM 15239 H1 TIP3 4743 47.416 48.456 5.740 1.00 0.00 WT1 H ATOM 15240 H2 TIP3 4743 47.034 47.008 5.966 1.00 0.00 WT1 H ATOM 15241 OH2 TIP3 4746 29.872 46.761 -14.638 1.00 0.00 WT1 O ATOM 15242 H1 TIP3 4746 29.880 47.685 -14.888 1.00 0.00 WT1 H ATOM 15243 H2 TIP3 4746 30.054 46.765 -13.698 1.00 0.00 WT1 H ATOM 15244 OH2 TIP3 4747 51.791 26.353 2.159 1.00 0.00 WT1 O ATOM 15245 H1 TIP3 4747 52.130 25.743 2.815 1.00 0.00 WT1 H ATOM 15246 H2 TIP3 4747 52.509 26.969 2.011 1.00 0.00 WT1 H ATOM 15247 OH2 TIP3 4748 27.711 29.625 23.051 1.00 0.00 WT1 O ATOM 15248 H1 TIP3 4748 28.148 29.351 23.858 1.00 0.00 WT1 H ATOM 15249 H2 TIP3 4748 26.928 30.089 23.348 1.00 0.00 WT1 H ATOM 15250 OH2 TIP3 4749 44.305 31.495 44.022 1.00 0.00 WT1 O ATOM 15251 H1 TIP3 4749 43.926 32.125 43.409 1.00 0.00 WT1 H ATOM 15252 H2 TIP3 4749 45.106 31.195 43.593 1.00 0.00 WT1 H ATOM 15253 OH2 TIP3 4750 45.155 62.843 50.844 1.00 0.00 WT1 O ATOM 15254 H1 TIP3 4750 45.065 63.635 50.314 1.00 0.00 WT1 H ATOM 15255 H2 TIP3 4750 45.722 62.271 50.326 1.00 0.00 WT1 H ATOM 15256 OH2 TIP3 4751 34.975 43.990 24.330 1.00 0.00 WT1 O ATOM 15257 H1 TIP3 4751 35.638 44.654 24.138 1.00 0.00 WT1 H ATOM 15258 H2 TIP3 4751 34.801 43.575 23.485 1.00 0.00 WT1 H ATOM 15259 OH2 TIP3 4752 53.377 40.799 47.897 1.00 0.00 WT1 O ATOM 15260 H1 TIP3 4752 53.529 41.584 48.424 1.00 0.00 WT1 H ATOM 15261 H2 TIP3 4752 53.402 41.109 46.992 1.00 0.00 WT1 H ATOM 15262 OH2 TIP3 4754 89.855 23.501 -6.618 1.00 0.00 WT1 O ATOM 15263 H1 TIP3 4754 89.192 22.822 -6.739 1.00 0.00 WT1 H ATOM 15264 H2 TIP3 4754 89.659 24.150 -7.294 1.00 0.00 WT1 H ATOM 15265 OH2 TIP3 4759 85.778 17.794 63.458 1.00 0.00 WT1 O ATOM 15266 H1 TIP3 4759 86.357 17.033 63.500 1.00 0.00 WT1 H ATOM 15267 H2 TIP3 4759 84.919 17.456 63.710 1.00 0.00 WT1 H ATOM 15268 OH2 TIP3 4760 27.670 22.089 41.341 1.00 0.00 WT1 O ATOM 15269 H1 TIP3 4760 27.349 22.968 41.141 1.00 0.00 WT1 H ATOM 15270 H2 TIP3 4760 28.615 22.140 41.200 1.00 0.00 WT1 H ATOM 15271 OH2 TIP3 4761 81.776 43.659 44.994 1.00 0.00 WT1 O ATOM 15272 H1 TIP3 4761 81.706 44.534 45.375 1.00 0.00 WT1 H ATOM 15273 H2 TIP3 4761 80.883 43.442 44.724 1.00 0.00 WT1 H ATOM 15274 OH2 TIP3 4765 73.714 27.427 38.091 1.00 0.00 WT1 O ATOM 15275 H1 TIP3 4765 74.485 26.976 37.748 1.00 0.00 WT1 H ATOM 15276 H2 TIP3 4765 73.332 27.864 37.330 1.00 0.00 WT1 H ATOM 15277 OH2 TIP3 4767 65.749 65.777 66.394 1.00 0.00 WT1 O ATOM 15278 H1 TIP3 4767 65.848 66.159 65.522 1.00 0.00 WT1 H ATOM 15279 H2 TIP3 4767 66.318 65.007 66.384 1.00 0.00 WT1 H ATOM 15280 OH2 TIP3 4768 26.250 20.191 -8.933 1.00 0.00 WT1 O ATOM 15281 H1 TIP3 4768 25.908 19.524 -8.338 1.00 0.00 WT1 H ATOM 15282 H2 TIP3 4768 25.948 19.918 -9.799 1.00 0.00 WT1 H ATOM 15283 OH2 TIP3 4769 22.059 91.114 53.980 1.00 0.00 WT1 O ATOM 15284 H1 TIP3 4769 21.358 91.020 54.625 1.00 0.00 WT1 H ATOM 15285 H2 TIP3 4769 22.243 90.219 53.694 1.00 0.00 WT1 H ATOM 15286 OH2 TIP3 4770 79.774 79.645 61.245 1.00 0.00 WT1 O ATOM 15287 H1 TIP3 4770 79.804 80.094 60.400 1.00 0.00 WT1 H ATOM 15288 H2 TIP3 4770 79.375 78.797 61.051 1.00 0.00 WT1 H ATOM 15289 OH2 TIP3 4771 34.867 44.909 16.212 1.00 0.00 WT1 O ATOM 15290 H1 TIP3 4771 35.526 44.338 16.606 1.00 0.00 WT1 H ATOM 15291 H2 TIP3 4771 35.291 45.766 16.161 1.00 0.00 WT1 H ATOM 15292 OH2 TIP3 4772 87.746 78.466 45.457 1.00 0.00 WT1 O ATOM 15293 H1 TIP3 4772 88.262 77.734 45.795 1.00 0.00 WT1 H ATOM 15294 H2 TIP3 4772 88.196 78.727 44.654 1.00 0.00 WT1 H ATOM 15295 OH2 TIP3 4773 26.922 3.042 17.392 1.00 0.00 WT1 O ATOM 15296 H1 TIP3 4773 27.499 2.660 16.730 1.00 0.00 WT1 H ATOM 15297 H2 TIP3 4773 26.914 3.978 17.191 1.00 0.00 WT1 H ATOM 15298 OH2 TIP3 4774 70.966 59.351 61.624 1.00 0.00 WT1 O ATOM 15299 H1 TIP3 4774 70.347 59.749 62.237 1.00 0.00 WT1 H ATOM 15300 H2 TIP3 4774 70.492 59.318 60.793 1.00 0.00 WT1 H ATOM 15301 OH2 TIP3 4776 50.980 33.324 18.231 1.00 0.00 WT1 O ATOM 15302 H1 TIP3 4776 51.798 33.638 18.617 1.00 0.00 WT1 H ATOM 15303 H2 TIP3 4776 50.402 34.087 18.242 1.00 0.00 WT1 H ATOM 15304 OH2 TIP3 4777 66.366 83.875 36.351 1.00 0.00 WT1 O ATOM 15305 H1 TIP3 4777 65.502 83.576 36.069 1.00 0.00 WT1 H ATOM 15306 H2 TIP3 4777 66.514 83.430 37.185 1.00 0.00 WT1 H ATOM 15307 OH2 TIP3 4779 49.826 85.741 37.464 1.00 0.00 WT1 O ATOM 15308 H1 TIP3 4779 50.475 85.207 37.005 1.00 0.00 WT1 H ATOM 15309 H2 TIP3 4779 49.762 85.346 38.334 1.00 0.00 WT1 H ATOM 15310 OH2 TIP3 4783 77.491 47.112 46.256 1.00 0.00 WT1 O ATOM 15311 H1 TIP3 4783 77.962 47.667 46.876 1.00 0.00 WT1 H ATOM 15312 H2 TIP3 4783 76.567 47.248 46.465 1.00 0.00 WT1 H ATOM 15313 OH2 TIP3 4786 41.463 86.004 36.523 1.00 0.00 WT1 O ATOM 15314 H1 TIP3 4786 42.257 85.495 36.362 1.00 0.00 WT1 H ATOM 15315 H2 TIP3 4786 40.784 85.557 36.017 1.00 0.00 WT1 H ATOM 15316 OH2 TIP3 4787 27.086 28.665 -9.021 1.00 0.00 WT1 O ATOM 15317 H1 TIP3 4787 26.335 29.258 -8.989 1.00 0.00 WT1 H ATOM 15318 H2 TIP3 4787 27.846 29.243 -9.078 1.00 0.00 WT1 H ATOM 15319 OH2 TIP3 4788 88.101 28.026 36.581 1.00 0.00 WT1 O ATOM 15320 H1 TIP3 4788 87.893 27.097 36.674 1.00 0.00 WT1 H ATOM 15321 H2 TIP3 4788 87.673 28.288 35.766 1.00 0.00 WT1 H ATOM 15322 OH2 TIP3 4790 35.704 4.600 10.512 1.00 0.00 WT1 O ATOM 15323 H1 TIP3 4790 34.863 5.058 10.498 1.00 0.00 WT1 H ATOM 15324 H2 TIP3 4790 36.356 5.294 10.416 1.00 0.00 WT1 H ATOM 15325 OH2 TIP3 4791 60.772 24.631 -7.217 1.00 0.00 WT1 O ATOM 15326 H1 TIP3 4791 60.019 24.859 -7.762 1.00 0.00 WT1 H ATOM 15327 H2 TIP3 4791 60.388 24.288 -6.409 1.00 0.00 WT1 H ATOM 15328 OH2 TIP3 4793 75.959 61.321 22.294 1.00 0.00 WT1 O ATOM 15329 H1 TIP3 4793 75.355 61.617 22.975 1.00 0.00 WT1 H ATOM 15330 H2 TIP3 4793 75.622 61.711 21.488 1.00 0.00 WT1 H ATOM 15331 OH2 TIP3 4794 54.008 94.950 1.311 1.00 0.00 WT1 O ATOM 15332 H1 TIP3 4794 54.184 94.235 1.922 1.00 0.00 WT1 H ATOM 15333 H2 TIP3 4794 53.480 95.571 1.814 1.00 0.00 WT1 H ATOM 15334 OH2 TIP3 4796 54.726 51.139 18.402 1.00 0.00 WT1 O ATOM 15335 H1 TIP3 4796 55.435 50.547 18.655 1.00 0.00 WT1 H ATOM 15336 H2 TIP3 4796 53.934 50.604 18.462 1.00 0.00 WT1 H ATOM 15337 OH2 TIP3 4797 43.631 48.494 -9.215 1.00 0.00 WT1 O ATOM 15338 H1 TIP3 4797 43.236 48.416 -8.346 1.00 0.00 WT1 H ATOM 15339 H2 TIP3 4797 44.270 49.201 -9.125 1.00 0.00 WT1 H ATOM 15340 OH2 TIP3 4798 27.271 1.042 22.590 1.00 0.00 WT1 O ATOM 15341 H1 TIP3 4798 27.790 0.243 22.493 1.00 0.00 WT1 H ATOM 15342 H2 TIP3 4798 27.119 1.340 21.693 1.00 0.00 WT1 H ATOM 15343 OH2 TIP3 4799 64.421 75.651 29.501 1.00 0.00 WT1 O ATOM 15344 H1 TIP3 4799 64.192 76.418 30.027 1.00 0.00 WT1 H ATOM 15345 H2 TIP3 4799 63.667 75.067 29.588 1.00 0.00 WT1 H ATOM 15346 OH2 TIP3 4800 79.102 15.073 56.754 1.00 0.00 WT1 O ATOM 15347 H1 TIP3 4800 78.750 15.884 57.119 1.00 0.00 WT1 H ATOM 15348 H2 TIP3 4800 78.806 15.071 55.843 1.00 0.00 WT1 H ATOM 15349 OH2 TIP3 4801 59.368 16.880 14.113 1.00 0.00 WT1 O ATOM 15350 H1 TIP3 4801 59.602 17.084 15.018 1.00 0.00 WT1 H ATOM 15351 H2 TIP3 4801 58.449 16.617 14.156 1.00 0.00 WT1 H ATOM 15352 OH2 TIP3 4804 84.972 29.708 9.393 1.00 0.00 WT1 O ATOM 15353 H1 TIP3 4804 84.762 30.461 8.840 1.00 0.00 WT1 H ATOM 15354 H2 TIP3 4804 85.512 30.070 10.095 1.00 0.00 WT1 H ATOM 15355 OH2 TIP3 4805 34.554 91.719 40.628 1.00 0.00 WT1 O ATOM 15356 H1 TIP3 4805 34.247 91.672 41.534 1.00 0.00 WT1 H ATOM 15357 H2 TIP3 4805 35.285 91.102 40.590 1.00 0.00 WT1 H ATOM 15358 OH2 TIP3 4806 57.021 4.577 -9.464 1.00 0.00 WT1 O ATOM 15359 H1 TIP3 4806 56.406 4.127 -10.044 1.00 0.00 WT1 H ATOM 15360 H2 TIP3 4806 56.875 4.180 -8.605 1.00 0.00 WT1 H ATOM 15361 OH2 TIP3 4807 77.482 35.874 25.701 1.00 0.00 WT1 O ATOM 15362 H1 TIP3 4807 77.146 36.690 26.072 1.00 0.00 WT1 H ATOM 15363 H2 TIP3 4807 78.434 35.968 25.737 1.00 0.00 WT1 H ATOM 15364 OH2 TIP3 4808 86.311 92.004 39.641 1.00 0.00 WT1 O ATOM 15365 H1 TIP3 4808 86.936 92.157 38.932 1.00 0.00 WT1 H ATOM 15366 H2 TIP3 4808 85.475 91.858 39.198 1.00 0.00 WT1 H ATOM 15367 OH2 TIP3 4809 89.783 41.589 28.726 1.00 0.00 WT1 O ATOM 15368 H1 TIP3 4809 88.947 41.124 28.752 1.00 0.00 WT1 H ATOM 15369 H2 TIP3 4809 90.367 41.005 28.242 1.00 0.00 WT1 H ATOM 15370 OH2 TIP3 4812 62.315 14.423 46.420 1.00 0.00 WT1 O ATOM 15371 H1 TIP3 4812 62.958 14.733 45.783 1.00 0.00 WT1 H ATOM 15372 H2 TIP3 4812 62.179 13.502 46.196 1.00 0.00 WT1 H ATOM 15373 OH2 TIP3 4813 31.327 40.614 -15.705 1.00 0.00 WT1 O ATOM 15374 H1 TIP3 4813 31.494 40.744 -14.772 1.00 0.00 WT1 H ATOM 15375 H2 TIP3 4813 30.837 41.392 -15.971 1.00 0.00 WT1 H ATOM 15376 OH2 TIP3 4814 27.001 31.997 3.126 1.00 0.00 WT1 O ATOM 15377 H1 TIP3 4814 26.521 31.327 3.615 1.00 0.00 WT1 H ATOM 15378 H2 TIP3 4814 27.628 32.351 3.757 1.00 0.00 WT1 H ATOM 15379 OH2 TIP3 4815 47.187 80.399 17.564 1.00 0.00 WT1 O ATOM 15380 H1 TIP3 4815 46.972 79.814 18.291 1.00 0.00 WT1 H ATOM 15381 H2 TIP3 4815 46.375 80.465 17.061 1.00 0.00 WT1 H ATOM 15382 OH2 TIP3 4816 83.756 10.429 45.427 1.00 0.00 WT1 O ATOM 15383 H1 TIP3 4816 84.670 10.192 45.273 1.00 0.00 WT1 H ATOM 15384 H2 TIP3 4816 83.272 9.613 45.302 1.00 0.00 WT1 H ATOM 15385 OH2 TIP3 4820 40.865 4.236 -19.482 1.00 0.00 WT1 O ATOM 15386 H1 TIP3 4820 41.554 3.754 -19.024 1.00 0.00 WT1 H ATOM 15387 H2 TIP3 4820 40.250 3.561 -19.769 1.00 0.00 WT1 H ATOM 15388 OH2 TIP3 4821 87.221 78.632 -5.377 1.00 0.00 WT1 O ATOM 15389 H1 TIP3 4821 86.456 78.235 -4.962 1.00 0.00 WT1 H ATOM 15390 H2 TIP3 4821 87.072 79.575 -5.304 1.00 0.00 WT1 H ATOM 15391 OH2 TIP3 4822 44.710 38.457 46.029 1.00 0.00 WT1 O ATOM 15392 H1 TIP3 4822 44.177 39.247 46.123 1.00 0.00 WT1 H ATOM 15393 H2 TIP3 4822 45.330 38.498 46.757 1.00 0.00 WT1 H ATOM 15394 OH2 TIP3 4824 80.747 50.296 5.387 1.00 0.00 WT1 O ATOM 15395 H1 TIP3 4824 81.229 50.965 5.875 1.00 0.00 WT1 H ATOM 15396 H2 TIP3 4824 79.827 50.472 5.583 1.00 0.00 WT1 H ATOM 15397 OH2 TIP3 4825 34.679 42.313 59.790 1.00 0.00 WT1 O ATOM 15398 H1 TIP3 4825 34.192 42.472 58.982 1.00 0.00 WT1 H ATOM 15399 H2 TIP3 4825 34.976 41.406 59.717 1.00 0.00 WT1 H ATOM 15400 OH2 TIP3 4829 79.310 11.412 62.816 1.00 0.00 WT1 O ATOM 15401 H1 TIP3 4829 80.119 11.813 62.498 1.00 0.00 WT1 H ATOM 15402 H2 TIP3 4829 78.765 11.319 62.034 1.00 0.00 WT1 H ATOM 15403 OH2 TIP3 4832 60.108 91.447 11.430 1.00 0.00 WT1 O ATOM 15404 H1 TIP3 4832 59.435 90.918 11.002 1.00 0.00 WT1 H ATOM 15405 H2 TIP3 4832 59.880 92.350 11.208 1.00 0.00 WT1 H ATOM 15406 OH2 TIP3 4833 51.953 90.476 -10.760 1.00 0.00 WT1 O ATOM 15407 H1 TIP3 4833 51.585 90.057 -11.538 1.00 0.00 WT1 H ATOM 15408 H2 TIP3 4833 52.378 89.764 -10.283 1.00 0.00 WT1 H ATOM 15409 OH2 TIP3 4834 41.125 13.218 0.898 1.00 0.00 WT1 O ATOM 15410 H1 TIP3 4834 41.357 12.892 1.768 1.00 0.00 WT1 H ATOM 15411 H2 TIP3 4834 40.532 12.556 0.543 1.00 0.00 WT1 H ATOM 15412 OH2 TIP3 4835 78.780 7.510 37.360 1.00 0.00 WT1 O ATOM 15413 H1 TIP3 4835 77.864 7.233 37.350 1.00 0.00 WT1 H ATOM 15414 H2 TIP3 4835 79.190 7.009 36.655 1.00 0.00 WT1 H ATOM 15415 OH2 TIP3 4836 62.629 66.287 -14.262 1.00 0.00 WT1 O ATOM 15416 H1 TIP3 4836 62.053 65.700 -13.772 1.00 0.00 WT1 H ATOM 15417 H2 TIP3 4836 62.318 67.166 -14.042 1.00 0.00 WT1 H ATOM 15418 OH2 TIP3 4837 36.946 71.667 15.427 1.00 0.00 WT1 O ATOM 15419 H1 TIP3 4837 37.500 71.718 14.648 1.00 0.00 WT1 H ATOM 15420 H2 TIP3 4837 37.165 72.452 15.929 1.00 0.00 WT1 H ATOM 15421 OH2 TIP3 4838 46.222 5.738 37.808 1.00 0.00 WT1 O ATOM 15422 H1 TIP3 4838 46.026 5.093 38.487 1.00 0.00 WT1 H ATOM 15423 H2 TIP3 4838 46.326 5.222 37.008 1.00 0.00 WT1 H ATOM 15424 OH2 TIP3 4839 46.092 16.583 -10.845 1.00 0.00 WT1 O ATOM 15425 H1 TIP3 4839 45.836 17.498 -10.963 1.00 0.00 WT1 H ATOM 15426 H2 TIP3 4839 45.662 16.119 -11.563 1.00 0.00 WT1 H ATOM 15427 OH2 TIP3 4841 49.113 14.121 -11.780 1.00 0.00 WT1 O ATOM 15428 H1 TIP3 4841 49.309 14.776 -12.451 1.00 0.00 WT1 H ATOM 15429 H2 TIP3 4841 49.507 14.471 -10.981 1.00 0.00 WT1 H ATOM 15430 OH2 TIP3 4844 45.733 81.111 48.416 1.00 0.00 WT1 O ATOM 15431 H1 TIP3 4844 45.377 80.460 49.020 1.00 0.00 WT1 H ATOM 15432 H2 TIP3 4844 46.641 80.841 48.279 1.00 0.00 WT1 H ATOM 15433 OH2 TIP3 4845 57.195 89.521 3.398 1.00 0.00 WT1 O ATOM 15434 H1 TIP3 4845 56.851 88.631 3.325 1.00 0.00 WT1 H ATOM 15435 H2 TIP3 4845 57.047 89.762 4.313 1.00 0.00 WT1 H ATOM 15436 OH2 TIP3 4847 49.208 85.094 51.642 1.00 0.00 WT1 O ATOM 15437 H1 TIP3 4847 49.055 84.162 51.490 1.00 0.00 WT1 H ATOM 15438 H2 TIP3 4847 48.906 85.521 50.840 1.00 0.00 WT1 H ATOM 15439 OH2 TIP3 4849 84.874 48.394 63.509 1.00 0.00 WT1 O ATOM 15440 H1 TIP3 4849 84.074 48.579 64.001 1.00 0.00 WT1 H ATOM 15441 H2 TIP3 4849 84.645 48.583 62.599 1.00 0.00 WT1 H ATOM 15442 OH2 TIP3 4850 30.898 33.327 17.878 1.00 0.00 WT1 O ATOM 15443 H1 TIP3 4850 31.747 33.751 17.755 1.00 0.00 WT1 H ATOM 15444 H2 TIP3 4850 31.024 32.751 18.631 1.00 0.00 WT1 H ATOM 15445 OH2 TIP3 4851 53.200 31.663 57.068 1.00 0.00 WT1 O ATOM 15446 H1 TIP3 4851 52.584 30.932 57.106 1.00 0.00 WT1 H ATOM 15447 H2 TIP3 4851 54.059 31.249 56.985 1.00 0.00 WT1 H ATOM 15448 OH2 TIP3 4852 58.104 82.238 -6.000 1.00 0.00 WT1 O ATOM 15449 H1 TIP3 4852 57.521 81.479 -6.010 1.00 0.00 WT1 H ATOM 15450 H2 TIP3 4852 57.542 82.976 -6.236 1.00 0.00 WT1 H ATOM 15451 OH2 TIP3 4853 41.507 44.226 62.516 1.00 0.00 WT1 O ATOM 15452 H1 TIP3 4853 42.047 44.816 61.990 1.00 0.00 WT1 H ATOM 15453 H2 TIP3 4853 40.985 44.808 63.069 1.00 0.00 WT1 H ATOM 15454 OH2 TIP3 4854 75.216 22.439 -7.011 1.00 0.00 WT1 O ATOM 15455 H1 TIP3 4854 74.494 21.832 -6.851 1.00 0.00 WT1 H ATOM 15456 H2 TIP3 4854 74.789 23.253 -7.280 1.00 0.00 WT1 H ATOM 15457 OH2 TIP3 4855 66.255 29.754 16.172 1.00 0.00 WT1 O ATOM 15458 H1 TIP3 4855 65.512 30.212 15.780 1.00 0.00 WT1 H ATOM 15459 H2 TIP3 4855 66.001 28.831 16.161 1.00 0.00 WT1 H ATOM 15460 OH2 TIP3 4856 90.044 21.902 -4.327 1.00 0.00 WT1 O ATOM 15461 H1 TIP3 4856 90.120 22.686 -4.871 1.00 0.00 WT1 H ATOM 15462 H2 TIP3 4856 90.439 22.151 -3.491 1.00 0.00 WT1 H ATOM 15463 OH2 TIP3 4857 56.737 15.389 21.833 1.00 0.00 WT1 O ATOM 15464 H1 TIP3 4857 57.518 15.091 21.364 1.00 0.00 WT1 H ATOM 15465 H2 TIP3 4857 56.561 16.259 21.477 1.00 0.00 WT1 H ATOM 15466 OH2 TIP3 4858 49.890 5.823 19.185 1.00 0.00 WT1 O ATOM 15467 H1 TIP3 4858 49.853 4.953 19.583 1.00 0.00 WT1 H ATOM 15468 H2 TIP3 4858 50.825 6.003 19.090 1.00 0.00 WT1 H ATOM 15469 OH2 TIP3 4859 73.427 6.838 5.221 1.00 0.00 WT1 O ATOM 15470 H1 TIP3 4859 73.172 6.157 5.844 1.00 0.00 WT1 H ATOM 15471 H2 TIP3 4859 74.349 6.660 5.035 1.00 0.00 WT1 H ATOM 15472 OH2 TIP3 4861 78.584 32.227 60.807 1.00 0.00 WT1 O ATOM 15473 H1 TIP3 4861 78.561 31.632 60.058 1.00 0.00 WT1 H ATOM 15474 H2 TIP3 4861 77.667 32.457 60.958 1.00 0.00 WT1 H ATOM 15475 OH2 TIP3 4862 55.614 59.660 -3.809 1.00 0.00 WT1 O ATOM 15476 H1 TIP3 4862 55.401 60.548 -3.524 1.00 0.00 WT1 H ATOM 15477 H2 TIP3 4862 55.391 59.107 -3.060 1.00 0.00 WT1 H ATOM 15478 OH2 TIP3 4863 29.390 18.361 21.064 1.00 0.00 WT1 O ATOM 15479 H1 TIP3 4863 29.958 18.919 21.595 1.00 0.00 WT1 H ATOM 15480 H2 TIP3 4863 29.665 17.468 21.275 1.00 0.00 WT1 H ATOM 15481 OH2 TIP3 4864 27.246 27.945 21.014 1.00 0.00 WT1 O ATOM 15482 H1 TIP3 4864 27.445 28.570 21.711 1.00 0.00 WT1 H ATOM 15483 H2 TIP3 4864 27.877 28.147 20.323 1.00 0.00 WT1 H ATOM 15484 OH2 TIP3 4866 89.182 82.729 32.308 1.00 0.00 WT1 O ATOM 15485 H1 TIP3 4866 90.130 82.834 32.391 1.00 0.00 WT1 H ATOM 15486 H2 TIP3 4866 88.909 83.452 31.743 1.00 0.00 WT1 H ATOM 15487 OH2 TIP3 4869 73.708 27.206 20.743 1.00 0.00 WT1 O ATOM 15488 H1 TIP3 4869 73.297 26.384 21.013 1.00 0.00 WT1 H ATOM 15489 H2 TIP3 4869 74.452 26.936 20.205 1.00 0.00 WT1 H ATOM 15490 OH2 TIP3 4870 67.601 16.574 -1.340 1.00 0.00 WT1 O ATOM 15491 H1 TIP3 4870 66.755 16.814 -0.963 1.00 0.00 WT1 H ATOM 15492 H2 TIP3 4870 68.201 16.558 -0.595 1.00 0.00 WT1 H ATOM 15493 OH2 TIP3 4872 59.377 15.662 27.387 1.00 0.00 WT1 O ATOM 15494 H1 TIP3 4872 58.705 15.712 28.067 1.00 0.00 WT1 H ATOM 15495 H2 TIP3 4872 59.691 16.562 27.294 1.00 0.00 WT1 H ATOM 15496 OH2 TIP3 4873 78.676 47.305 28.452 1.00 0.00 WT1 O ATOM 15497 H1 TIP3 4873 78.292 46.466 28.708 1.00 0.00 WT1 H ATOM 15498 H2 TIP3 4873 79.008 47.158 27.567 1.00 0.00 WT1 H ATOM 15499 OH2 TIP3 4874 23.714 5.534 66.020 1.00 0.00 WT1 O ATOM 15500 H1 TIP3 4874 23.122 5.036 66.582 1.00 0.00 WT1 H ATOM 15501 H2 TIP3 4874 23.420 5.340 65.130 1.00 0.00 WT1 H ATOM 15502 OH2 TIP3 4875 36.018 26.903 5.699 1.00 0.00 WT1 O ATOM 15503 H1 TIP3 4875 36.048 26.907 6.655 1.00 0.00 WT1 H ATOM 15504 H2 TIP3 4875 36.195 27.810 5.449 1.00 0.00 WT1 H ATOM 15505 OH2 TIP3 4876 68.125 38.014 33.643 1.00 0.00 WT1 O ATOM 15506 H1 TIP3 4876 68.324 38.877 33.279 1.00 0.00 WT1 H ATOM 15507 H2 TIP3 4876 67.520 37.622 33.014 1.00 0.00 WT1 H ATOM 15508 OH2 TIP3 4877 22.782 3.933 -4.682 1.00 0.00 WT1 O ATOM 15509 H1 TIP3 4877 22.876 4.771 -4.229 1.00 0.00 WT1 H ATOM 15510 H2 TIP3 4877 22.552 4.170 -5.580 1.00 0.00 WT1 H ATOM 15511 OH2 TIP3 4879 53.730 4.354 -6.490 1.00 0.00 WT1 O ATOM 15512 H1 TIP3 4879 54.539 4.106 -6.938 1.00 0.00 WT1 H ATOM 15513 H2 TIP3 4879 53.742 5.311 -6.485 1.00 0.00 WT1 H ATOM 15514 OH2 TIP3 4880 86.099 88.678 51.568 1.00 0.00 WT1 O ATOM 15515 H1 TIP3 4880 85.905 89.566 51.866 1.00 0.00 WT1 H ATOM 15516 H2 TIP3 4880 85.539 88.117 52.105 1.00 0.00 WT1 H ATOM 15517 OH2 TIP3 4881 40.609 15.105 20.404 1.00 0.00 WT1 O ATOM 15518 H1 TIP3 4881 41.190 15.827 20.642 1.00 0.00 WT1 H ATOM 15519 H2 TIP3 4881 41.193 14.354 20.295 1.00 0.00 WT1 H ATOM 15520 OH2 TIP3 4882 19.881 4.185 35.228 1.00 0.00 WT1 O ATOM 15521 H1 TIP3 4882 20.312 3.406 34.877 1.00 0.00 WT1 H ATOM 15522 H2 TIP3 4882 20.546 4.871 35.177 1.00 0.00 WT1 H ATOM 15523 OH2 TIP3 4884 54.648 96.912 31.629 1.00 0.00 WT1 O ATOM 15524 H1 TIP3 4884 54.505 95.981 31.460 1.00 0.00 WT1 H ATOM 15525 H2 TIP3 4884 54.097 97.360 30.987 1.00 0.00 WT1 H ATOM 15526 OH2 TIP3 4887 31.006 8.003 56.346 1.00 0.00 WT1 O ATOM 15527 H1 TIP3 4887 31.018 7.176 56.828 1.00 0.00 WT1 H ATOM 15528 H2 TIP3 4887 31.780 8.473 56.656 1.00 0.00 WT1 H ATOM 15529 OH2 TIP3 4888 65.907 76.817 61.535 1.00 0.00 WT1 O ATOM 15530 H1 TIP3 4888 65.086 76.859 61.045 1.00 0.00 WT1 H ATOM 15531 H2 TIP3 4888 66.348 77.642 61.333 1.00 0.00 WT1 H ATOM 15532 OH2 TIP3 4890 48.057 10.511 55.503 1.00 0.00 WT1 O ATOM 15533 H1 TIP3 4890 48.531 10.547 54.671 1.00 0.00 WT1 H ATOM 15534 H2 TIP3 4890 47.165 10.264 55.260 1.00 0.00 WT1 H ATOM 15535 OH2 TIP3 4891 48.219 31.570 47.102 1.00 0.00 WT1 O ATOM 15536 H1 TIP3 4891 48.489 32.150 46.390 1.00 0.00 WT1 H ATOM 15537 H2 TIP3 4891 48.819 31.776 47.819 1.00 0.00 WT1 H ATOM 15538 OH2 TIP3 4893 69.994 65.550 -12.620 1.00 0.00 WT1 O ATOM 15539 H1 TIP3 4893 69.909 66.436 -12.971 1.00 0.00 WT1 H ATOM 15540 H2 TIP3 4893 69.102 65.202 -12.625 1.00 0.00 WT1 H ATOM 15541 OH2 TIP3 4894 66.833 77.882 47.654 1.00 0.00 WT1 O ATOM 15542 H1 TIP3 4894 67.664 77.658 47.234 1.00 0.00 WT1 H ATOM 15543 H2 TIP3 4894 66.289 77.103 47.537 1.00 0.00 WT1 H ATOM 15544 OH2 TIP3 4895 48.326 32.409 57.028 1.00 0.00 WT1 O ATOM 15545 H1 TIP3 4895 47.488 32.337 57.484 1.00 0.00 WT1 H ATOM 15546 H2 TIP3 4895 48.628 33.297 57.220 1.00 0.00 WT1 H ATOM 15547 OH2 TIP3 4896 59.822 5.354 -8.265 1.00 0.00 WT1 O ATOM 15548 H1 TIP3 4896 60.280 4.514 -8.230 1.00 0.00 WT1 H ATOM 15549 H2 TIP3 4896 59.022 5.170 -8.759 1.00 0.00 WT1 H ATOM 15550 OH2 TIP3 4897 74.337 5.761 45.319 1.00 0.00 WT1 O ATOM 15551 H1 TIP3 4897 75.148 6.256 45.203 1.00 0.00 WT1 H ATOM 15552 H2 TIP3 4897 74.604 4.971 45.789 1.00 0.00 WT1 H ATOM 15553 OH2 TIP3 4898 32.666 47.073 55.030 1.00 0.00 WT1 O ATOM 15554 H1 TIP3 4898 32.949 47.805 55.578 1.00 0.00 WT1 H ATOM 15555 H2 TIP3 4898 33.291 47.060 54.305 1.00 0.00 WT1 H ATOM 15556 OH2 TIP3 4899 29.392 30.556 42.315 1.00 0.00 WT1 O ATOM 15557 H1 TIP3 4899 28.734 30.498 41.622 1.00 0.00 WT1 H ATOM 15558 H2 TIP3 4899 29.565 29.646 42.557 1.00 0.00 WT1 H ATOM 15559 OH2 TIP3 4900 48.098 69.043 4.480 1.00 0.00 WT1 O ATOM 15560 H1 TIP3 4900 48.409 68.344 5.056 1.00 0.00 WT1 H ATOM 15561 H2 TIP3 4900 48.268 69.849 4.967 1.00 0.00 WT1 H ATOM 15562 OH2 TIP3 4901 46.128 64.038 63.143 1.00 0.00 WT1 O ATOM 15563 H1 TIP3 4901 46.702 64.684 63.555 1.00 0.00 WT1 H ATOM 15564 H2 TIP3 4901 46.628 63.222 63.169 1.00 0.00 WT1 H ATOM 15565 OH2 TIP3 4902 77.554 55.468 13.252 1.00 0.00 WT1 O ATOM 15566 H1 TIP3 4902 77.791 56.176 13.852 1.00 0.00 WT1 H ATOM 15567 H2 TIP3 4902 76.739 55.114 13.608 1.00 0.00 WT1 H ATOM 15568 OH2 TIP3 4903 40.429 1.785 11.918 1.00 0.00 WT1 O ATOM 15569 H1 TIP3 4903 41.059 1.067 11.982 1.00 0.00 WT1 H ATOM 15570 H2 TIP3 4903 40.729 2.425 12.564 1.00 0.00 WT1 H ATOM 15571 OH2 TIP3 4904 35.912 73.441 5.526 1.00 0.00 WT1 O ATOM 15572 H1 TIP3 4904 36.250 72.807 6.159 1.00 0.00 WT1 H ATOM 15573 H2 TIP3 4904 35.153 73.831 5.959 1.00 0.00 WT1 H ATOM 15574 OH2 TIP3 4906 44.247 67.203 36.362 1.00 0.00 WT1 O ATOM 15575 H1 TIP3 4906 43.928 68.098 36.479 1.00 0.00 WT1 H ATOM 15576 H2 TIP3 4906 45.188 67.301 36.215 1.00 0.00 WT1 H ATOM 15577 OH2 TIP3 4908 55.605 12.617 -13.255 1.00 0.00 WT1 O ATOM 15578 H1 TIP3 4908 55.063 12.608 -14.044 1.00 0.00 WT1 H ATOM 15579 H2 TIP3 4908 55.015 12.335 -12.556 1.00 0.00 WT1 H ATOM 15580 OH2 TIP3 4909 81.675 67.483 37.290 1.00 0.00 WT1 O ATOM 15581 H1 TIP3 4909 82.174 66.674 37.402 1.00 0.00 WT1 H ATOM 15582 H2 TIP3 4909 81.302 67.416 36.411 1.00 0.00 WT1 H ATOM 15583 OH2 TIP3 4910 57.924 9.539 5.099 1.00 0.00 WT1 O ATOM 15584 H1 TIP3 4910 57.785 8.697 5.532 1.00 0.00 WT1 H ATOM 15585 H2 TIP3 4910 57.285 9.552 4.387 1.00 0.00 WT1 H ATOM 15586 OH2 TIP3 4911 65.150 30.540 62.965 1.00 0.00 WT1 O ATOM 15587 H1 TIP3 4911 65.291 31.470 62.788 1.00 0.00 WT1 H ATOM 15588 H2 TIP3 4911 64.261 30.495 63.317 1.00 0.00 WT1 H ATOM 15589 OH2 TIP3 4912 57.073 87.732 52.602 1.00 0.00 WT1 O ATOM 15590 H1 TIP3 4912 57.672 86.985 52.617 1.00 0.00 WT1 H ATOM 15591 H2 TIP3 4912 56.203 87.343 52.691 1.00 0.00 WT1 H ATOM 15592 OH2 TIP3 4913 53.584 14.156 0.641 1.00 0.00 WT1 O ATOM 15593 H1 TIP3 4913 54.126 14.939 0.741 1.00 0.00 WT1 H ATOM 15594 H2 TIP3 4913 54.173 13.503 0.264 1.00 0.00 WT1 H ATOM 15595 OH2 TIP3 4914 65.554 12.756 -16.159 1.00 0.00 WT1 O ATOM 15596 H1 TIP3 4914 66.178 12.118 -16.505 1.00 0.00 WT1 H ATOM 15597 H2 TIP3 4914 66.072 13.549 -16.022 1.00 0.00 WT1 H ATOM 15598 OH2 TIP3 4915 68.084 29.804 -13.855 1.00 0.00 WT1 O ATOM 15599 H1 TIP3 4915 68.598 29.471 -13.119 1.00 0.00 WT1 H ATOM 15600 H2 TIP3 4915 67.776 30.663 -13.564 1.00 0.00 WT1 H ATOM 15601 OH2 TIP3 4916 51.340 35.951 21.160 1.00 0.00 WT1 O ATOM 15602 H1 TIP3 4916 52.207 35.546 21.122 1.00 0.00 WT1 H ATOM 15603 H2 TIP3 4916 51.510 36.891 21.093 1.00 0.00 WT1 H ATOM 15604 OH2 TIP3 4917 45.680 83.225 5.179 1.00 0.00 WT1 O ATOM 15605 H1 TIP3 4917 46.534 82.995 5.544 1.00 0.00 WT1 H ATOM 15606 H2 TIP3 4917 45.048 82.816 5.771 1.00 0.00 WT1 H ATOM 15607 OH2 TIP3 4918 32.670 18.938 13.510 1.00 0.00 WT1 O ATOM 15608 H1 TIP3 4918 33.578 19.235 13.458 1.00 0.00 WT1 H ATOM 15609 H2 TIP3 4918 32.400 18.830 12.598 1.00 0.00 WT1 H ATOM 15610 OH2 TIP3 4919 86.484 87.826 -17.485 1.00 0.00 WT1 O ATOM 15611 H1 TIP3 4919 87.242 87.726 -16.909 1.00 0.00 WT1 H ATOM 15612 H2 TIP3 4919 86.100 86.950 -17.530 1.00 0.00 WT1 H ATOM 15613 OH2 TIP3 4920 77.960 41.871 11.471 1.00 0.00 WT1 O ATOM 15614 H1 TIP3 4920 78.013 42.611 10.866 1.00 0.00 WT1 H ATOM 15615 H2 TIP3 4920 78.848 41.515 11.495 1.00 0.00 WT1 H ATOM 15616 OH2 TIP3 4922 87.821 24.398 -1.451 1.00 0.00 WT1 O ATOM 15617 H1 TIP3 4922 88.482 25.091 -1.467 1.00 0.00 WT1 H ATOM 15618 H2 TIP3 4922 87.147 24.695 -2.063 1.00 0.00 WT1 H ATOM 15619 OH2 TIP3 4924 71.057 87.938 0.038 1.00 0.00 WT1 O ATOM 15620 H1 TIP3 4924 71.641 87.529 -0.600 1.00 0.00 WT1 H ATOM 15621 H2 TIP3 4924 71.557 88.680 0.380 1.00 0.00 WT1 H ATOM 15622 OH2 TIP3 4925 68.450 2.158 41.165 1.00 0.00 WT1 O ATOM 15623 H1 TIP3 4925 67.518 2.039 40.981 1.00 0.00 WT1 H ATOM 15624 H2 TIP3 4925 68.502 3.010 41.599 1.00 0.00 WT1 H ATOM 15625 OH2 TIP3 4926 57.798 32.780 -2.973 1.00 0.00 WT1 O ATOM 15626 H1 TIP3 4926 57.199 33.503 -2.787 1.00 0.00 WT1 H ATOM 15627 H2 TIP3 4926 58.270 32.642 -2.152 1.00 0.00 WT1 H ATOM 15628 OH2 TIP3 4927 39.774 5.901 -6.940 1.00 0.00 WT1 O ATOM 15629 H1 TIP3 4927 39.482 5.634 -6.068 1.00 0.00 WT1 H ATOM 15630 H2 TIP3 4927 40.722 6.003 -6.855 1.00 0.00 WT1 H ATOM 15631 OH2 TIP3 4928 87.479 52.930 23.734 1.00 0.00 WT1 O ATOM 15632 H1 TIP3 4928 87.338 52.141 23.211 1.00 0.00 WT1 H ATOM 15633 H2 TIP3 4928 86.809 53.542 23.430 1.00 0.00 WT1 H ATOM 15634 OH2 TIP3 4929 64.148 40.258 22.885 1.00 0.00 WT1 O ATOM 15635 H1 TIP3 4929 63.890 39.673 22.172 1.00 0.00 WT1 H ATOM 15636 H2 TIP3 4929 63.599 41.033 22.771 1.00 0.00 WT1 H ATOM 15637 OH2 TIP3 4930 41.378 91.442 -1.172 1.00 0.00 WT1 O ATOM 15638 H1 TIP3 4930 40.904 90.614 -1.239 1.00 0.00 WT1 H ATOM 15639 H2 TIP3 4930 41.825 91.396 -0.327 1.00 0.00 WT1 H ATOM 15640 OH2 TIP3 4931 85.779 29.992 53.854 1.00 0.00 WT1 O ATOM 15641 H1 TIP3 4931 86.203 29.518 53.139 1.00 0.00 WT1 H ATOM 15642 H2 TIP3 4931 85.640 30.874 53.509 1.00 0.00 WT1 H ATOM 15643 OH2 TIP3 4932 35.426 50.118 47.018 1.00 0.00 WT1 O ATOM 15644 H1 TIP3 4932 34.676 49.839 47.543 1.00 0.00 WT1 H ATOM 15645 H2 TIP3 4932 36.167 50.087 47.623 1.00 0.00 WT1 H ATOM 15646 OH2 TIP3 4934 81.083 72.739 1.342 1.00 0.00 WT1 O ATOM 15647 H1 TIP3 4934 80.458 73.032 0.679 1.00 0.00 WT1 H ATOM 15648 H2 TIP3 4934 81.125 71.790 1.230 1.00 0.00 WT1 H ATOM 15649 OH2 TIP3 4935 42.891 47.245 -1.592 1.00 0.00 WT1 O ATOM 15650 H1 TIP3 4935 43.792 46.929 -1.658 1.00 0.00 WT1 H ATOM 15651 H2 TIP3 4935 42.974 48.196 -1.523 1.00 0.00 WT1 H ATOM 15652 OH2 TIP3 4936 84.979 25.419 -9.172 1.00 0.00 WT1 O ATOM 15653 H1 TIP3 4936 85.627 24.784 -8.866 1.00 0.00 WT1 H ATOM 15654 H2 TIP3 4936 85.497 26.111 -9.583 1.00 0.00 WT1 H ATOM 15655 OH2 TIP3 4937 38.119 51.750 64.502 1.00 0.00 WT1 O ATOM 15656 H1 TIP3 4937 37.471 52.453 64.468 1.00 0.00 WT1 H ATOM 15657 H2 TIP3 4937 37.969 51.246 63.703 1.00 0.00 WT1 H ATOM 15658 OH2 TIP3 4938 74.934 91.971 57.297 1.00 0.00 WT1 O ATOM 15659 H1 TIP3 4938 75.041 92.082 56.352 1.00 0.00 WT1 H ATOM 15660 H2 TIP3 4938 73.990 91.880 57.422 1.00 0.00 WT1 H ATOM 15661 OH2 TIP3 4939 70.184 14.282 -3.156 1.00 0.00 WT1 O ATOM 15662 H1 TIP3 4939 70.147 14.159 -2.208 1.00 0.00 WT1 H ATOM 15663 H2 TIP3 4939 69.875 15.177 -3.295 1.00 0.00 WT1 H ATOM 15664 OH2 TIP3 4940 60.765 71.037 33.879 1.00 0.00 WT1 O ATOM 15665 H1 TIP3 4940 60.199 70.536 33.291 1.00 0.00 WT1 H ATOM 15666 H2 TIP3 4940 60.215 71.224 34.640 1.00 0.00 WT1 H ATOM 15667 OH2 TIP3 4941 83.750 27.581 48.741 1.00 0.00 WT1 O ATOM 15668 H1 TIP3 4941 82.805 27.547 48.587 1.00 0.00 WT1 H ATOM 15669 H2 TIP3 4941 83.839 28.015 49.589 1.00 0.00 WT1 H ATOM 15670 OH2 TIP3 4942 81.213 29.458 18.586 1.00 0.00 WT1 O ATOM 15671 H1 TIP3 4942 80.858 28.943 19.310 1.00 0.00 WT1 H ATOM 15672 H2 TIP3 4942 81.317 30.339 18.945 1.00 0.00 WT1 H ATOM 15673 OH2 TIP3 4943 23.293 64.575 -19.890 1.00 0.00 WT1 O ATOM 15674 H1 TIP3 4943 23.323 63.727 -20.333 1.00 0.00 WT1 H ATOM 15675 H2 TIP3 4943 23.638 64.401 -19.014 1.00 0.00 WT1 H ATOM 15676 OH2 TIP3 4947 56.239 -0.126 26.360 1.00 0.00 WT1 O ATOM 15677 H1 TIP3 4947 55.689 0.619 26.603 1.00 0.00 WT1 H ATOM 15678 H2 TIP3 4947 56.423 0.004 25.430 1.00 0.00 WT1 H ATOM 15679 OH2 TIP3 4948 42.935 26.631 27.233 1.00 0.00 WT1 O ATOM 15680 H1 TIP3 4948 42.256 27.159 26.814 1.00 0.00 WT1 H ATOM 15681 H2 TIP3 4948 42.454 25.960 27.716 1.00 0.00 WT1 H ATOM 15682 OH2 TIP3 4949 78.391 11.755 41.586 1.00 0.00 WT1 O ATOM 15683 H1 TIP3 4949 78.910 11.478 40.831 1.00 0.00 WT1 H ATOM 15684 H2 TIP3 4949 78.432 12.711 41.567 1.00 0.00 WT1 H ATOM 15685 OH2 TIP3 4950 86.517 63.491 48.242 1.00 0.00 WT1 O ATOM 15686 H1 TIP3 4950 86.484 63.971 47.415 1.00 0.00 WT1 H ATOM 15687 H2 TIP3 4950 87.117 62.764 48.074 1.00 0.00 WT1 H ATOM 15688 OH2 TIP3 4951 66.675 54.708 5.486 1.00 0.00 WT1 O ATOM 15689 H1 TIP3 4951 66.430 55.624 5.355 1.00 0.00 WT1 H ATOM 15690 H2 TIP3 4951 66.226 54.453 6.292 1.00 0.00 WT1 H ATOM 15691 OH2 TIP3 4952 57.018 65.177 -6.655 1.00 0.00 WT1 O ATOM 15692 H1 TIP3 4952 56.367 64.863 -6.027 1.00 0.00 WT1 H ATOM 15693 H2 TIP3 4952 57.445 64.382 -6.974 1.00 0.00 WT1 H ATOM 15694 OH2 TIP3 4953 87.152 75.270 -0.536 1.00 0.00 WT1 O ATOM 15695 H1 TIP3 4953 87.580 74.969 0.265 1.00 0.00 WT1 H ATOM 15696 H2 TIP3 4953 86.605 74.533 -0.807 1.00 0.00 WT1 H ATOM 15697 OH2 TIP3 4954 30.772 50.052 2.471 1.00 0.00 WT1 O ATOM 15698 H1 TIP3 4954 31.309 49.636 3.146 1.00 0.00 WT1 H ATOM 15699 H2 TIP3 4954 31.217 49.844 1.649 1.00 0.00 WT1 H ATOM 15700 OH2 TIP3 4955 43.823 81.565 -19.673 1.00 0.00 WT1 O ATOM 15701 H1 TIP3 4955 44.643 81.881 -20.055 1.00 0.00 WT1 H ATOM 15702 H2 TIP3 4955 43.907 81.752 -18.738 1.00 0.00 WT1 H ATOM 15703 OH2 TIP3 4956 85.319 32.665 -14.398 1.00 0.00 WT1 O ATOM 15704 H1 TIP3 4956 84.531 32.424 -13.910 1.00 0.00 WT1 H ATOM 15705 H2 TIP3 4956 85.306 33.622 -14.417 1.00 0.00 WT1 H ATOM 15706 OH2 TIP3 4957 90.201 48.261 -10.375 1.00 0.00 WT1 O ATOM 15707 H1 TIP3 4957 89.621 47.734 -9.824 1.00 0.00 WT1 H ATOM 15708 H2 TIP3 4957 90.993 47.730 -10.465 1.00 0.00 WT1 H ATOM 15709 OH2 TIP3 4958 49.039 82.433 50.966 1.00 0.00 WT1 O ATOM 15710 H1 TIP3 4958 48.254 81.925 51.172 1.00 0.00 WT1 H ATOM 15711 H2 TIP3 4958 49.117 82.378 50.014 1.00 0.00 WT1 H ATOM 15712 OH2 TIP3 4959 57.270 7.019 1.590 1.00 0.00 WT1 O ATOM 15713 H1 TIP3 4959 57.299 7.784 2.164 1.00 0.00 WT1 H ATOM 15714 H2 TIP3 4959 56.930 6.316 2.144 1.00 0.00 WT1 H ATOM 15715 OH2 TIP3 4960 47.960 61.199 -17.023 1.00 0.00 WT1 O ATOM 15716 H1 TIP3 4960 47.734 61.994 -17.505 1.00 0.00 WT1 H ATOM 15717 H2 TIP3 4960 47.558 61.318 -16.162 1.00 0.00 WT1 H ATOM 15718 OH2 TIP3 4962 32.890 10.991 -2.112 1.00 0.00 WT1 O ATOM 15719 H1 TIP3 4962 32.815 10.417 -2.875 1.00 0.00 WT1 H ATOM 15720 H2 TIP3 4962 32.017 11.367 -2.007 1.00 0.00 WT1 H ATOM 15721 OH2 TIP3 4963 61.777 3.827 6.739 1.00 0.00 WT1 O ATOM 15722 H1 TIP3 4963 61.288 4.636 6.587 1.00 0.00 WT1 H ATOM 15723 H2 TIP3 4963 61.431 3.489 7.564 1.00 0.00 WT1 H ATOM 15724 OH2 TIP3 4964 56.256 25.206 12.983 1.00 0.00 WT1 O ATOM 15725 H1 TIP3 4964 56.002 25.791 13.696 1.00 0.00 WT1 H ATOM 15726 H2 TIP3 4964 55.629 24.485 13.029 1.00 0.00 WT1 H ATOM 15727 OH2 TIP3 4965 30.341 18.687 26.116 1.00 0.00 WT1 O ATOM 15728 H1 TIP3 4965 30.557 19.198 25.335 1.00 0.00 WT1 H ATOM 15729 H2 TIP3 4965 31.166 18.268 26.364 1.00 0.00 WT1 H ATOM 15730 OH2 TIP3 4966 48.824 20.712 56.783 1.00 0.00 WT1 O ATOM 15731 H1 TIP3 4966 49.257 21.088 57.549 1.00 0.00 WT1 H ATOM 15732 H2 TIP3 4966 47.976 20.411 57.110 1.00 0.00 WT1 H ATOM 15733 OH2 TIP3 4967 42.943 84.212 1.452 1.00 0.00 WT1 O ATOM 15734 H1 TIP3 4967 43.483 83.550 1.022 1.00 0.00 WT1 H ATOM 15735 H2 TIP3 4967 43.075 85.005 0.931 1.00 0.00 WT1 H ATOM 15736 OH2 TIP3 4968 29.557 85.070 -3.751 1.00 0.00 WT1 O ATOM 15737 H1 TIP3 4968 30.046 85.847 -3.482 1.00 0.00 WT1 H ATOM 15738 H2 TIP3 4968 29.945 84.356 -3.245 1.00 0.00 WT1 H ATOM 15739 OH2 TIP3 4970 66.293 88.619 34.139 1.00 0.00 WT1 O ATOM 15740 H1 TIP3 4970 66.567 87.750 33.846 1.00 0.00 WT1 H ATOM 15741 H2 TIP3 4970 66.371 88.587 35.092 1.00 0.00 WT1 H ATOM 15742 OH2 TIP3 4971 39.688 54.225 4.278 1.00 0.00 WT1 O ATOM 15743 H1 TIP3 4971 40.452 53.660 4.165 1.00 0.00 WT1 H ATOM 15744 H2 TIP3 4971 39.856 54.694 5.096 1.00 0.00 WT1 H ATOM 15745 OH2 TIP3 4973 45.952 32.476 -16.385 1.00 0.00 WT1 O ATOM 15746 H1 TIP3 4973 46.545 31.803 -16.720 1.00 0.00 WT1 H ATOM 15747 H2 TIP3 4973 46.502 33.254 -16.289 1.00 0.00 WT1 H ATOM 15748 OH2 TIP3 4974 28.651 34.217 42.382 1.00 0.00 WT1 O ATOM 15749 H1 TIP3 4974 29.473 34.270 42.870 1.00 0.00 WT1 H ATOM 15750 H2 TIP3 4974 28.261 33.387 42.657 1.00 0.00 WT1 H ATOM 15751 OH2 TIP3 4975 31.235 45.550 45.840 1.00 0.00 WT1 O ATOM 15752 H1 TIP3 4975 31.530 45.767 46.725 1.00 0.00 WT1 H ATOM 15753 H2 TIP3 4975 31.466 44.627 45.730 1.00 0.00 WT1 H ATOM 15754 OH2 TIP3 4976 52.120 11.756 56.550 1.00 0.00 WT1 O ATOM 15755 H1 TIP3 4976 51.693 11.188 57.191 1.00 0.00 WT1 H ATOM 15756 H2 TIP3 4976 52.606 11.156 55.985 1.00 0.00 WT1 H ATOM 15757 OH2 TIP3 4977 74.688 91.886 54.600 1.00 0.00 WT1 O ATOM 15758 H1 TIP3 4977 73.867 91.449 54.827 1.00 0.00 WT1 H ATOM 15759 H2 TIP3 4977 75.231 91.196 54.221 1.00 0.00 WT1 H ATOM 15760 OH2 TIP3 4978 72.765 29.506 13.632 1.00 0.00 WT1 O ATOM 15761 H1 TIP3 4978 72.030 29.896 13.159 1.00 0.00 WT1 H ATOM 15762 H2 TIP3 4978 73.243 29.010 12.967 1.00 0.00 WT1 H ATOM 15763 OH2 TIP3 4979 53.339 52.661 -5.546 1.00 0.00 WT1 O ATOM 15764 H1 TIP3 4979 52.522 52.707 -6.044 1.00 0.00 WT1 H ATOM 15765 H2 TIP3 4979 53.437 53.535 -5.167 1.00 0.00 WT1 H ATOM 15766 OH2 TIP3 4980 51.021 36.461 -14.144 1.00 0.00 WT1 O ATOM 15767 H1 TIP3 4980 51.426 37.319 -14.268 1.00 0.00 WT1 H ATOM 15768 H2 TIP3 4980 50.080 36.637 -14.146 1.00 0.00 WT1 H ATOM 15769 OH2 TIP3 4981 29.659 42.628 -16.358 1.00 0.00 WT1 O ATOM 15770 H1 TIP3 4981 29.464 42.274 -17.226 1.00 0.00 WT1 H ATOM 15771 H2 TIP3 4981 28.828 42.577 -15.886 1.00 0.00 WT1 H ATOM 15772 OH2 TIP3 4982 78.687 4.698 -3.307 1.00 0.00 WT1 O ATOM 15773 H1 TIP3 4982 78.362 5.479 -3.755 1.00 0.00 WT1 H ATOM 15774 H2 TIP3 4982 78.890 4.997 -2.420 1.00 0.00 WT1 H ATOM 15775 OH2 TIP3 4983 35.008 5.740 58.539 1.00 0.00 WT1 O ATOM 15776 H1 TIP3 4983 35.111 4.798 58.676 1.00 0.00 WT1 H ATOM 15777 H2 TIP3 4983 35.603 5.943 57.817 1.00 0.00 WT1 H ATOM 15778 OH2 TIP3 4984 54.580 6.057 36.643 1.00 0.00 WT1 O ATOM 15779 H1 TIP3 4984 54.356 5.852 35.736 1.00 0.00 WT1 H ATOM 15780 H2 TIP3 4984 55.535 5.994 36.675 1.00 0.00 WT1 H ATOM 15781 OH2 TIP3 4985 86.355 78.638 28.145 1.00 0.00 WT1 O ATOM 15782 H1 TIP3 4985 85.861 77.818 28.156 1.00 0.00 WT1 H ATOM 15783 H2 TIP3 4985 87.124 78.449 27.608 1.00 0.00 WT1 H ATOM 15784 OH2 TIP3 4986 49.493 37.380 7.107 1.00 0.00 WT1 O ATOM 15785 H1 TIP3 4986 50.430 37.277 6.941 1.00 0.00 WT1 H ATOM 15786 H2 TIP3 4986 49.423 37.432 8.060 1.00 0.00 WT1 H ATOM 15787 OH2 TIP3 4988 27.902 71.434 62.117 1.00 0.00 WT1 O ATOM 15788 H1 TIP3 4988 28.451 70.653 62.057 1.00 0.00 WT1 H ATOM 15789 H2 TIP3 4988 27.536 71.538 61.239 1.00 0.00 WT1 H ATOM 15790 OH2 TIP3 4991 72.737 12.178 -2.873 1.00 0.00 WT1 O ATOM 15791 H1 TIP3 4991 72.117 12.038 -2.158 1.00 0.00 WT1 H ATOM 15792 H2 TIP3 4991 72.612 13.093 -3.124 1.00 0.00 WT1 H ATOM 15793 OH2 TIP3 4992 82.103 69.589 -14.272 1.00 0.00 WT1 O ATOM 15794 H1 TIP3 4992 82.549 69.670 -13.430 1.00 0.00 WT1 H ATOM 15795 H2 TIP3 4992 82.165 70.461 -14.662 1.00 0.00 WT1 H ATOM 15796 OH2 TIP3 4993 50.887 7.828 12.136 1.00 0.00 WT1 O ATOM 15797 H1 TIP3 4993 51.556 7.859 12.820 1.00 0.00 WT1 H ATOM 15798 H2 TIP3 4993 50.087 8.123 12.570 1.00 0.00 WT1 H ATOM 15799 OH2 TIP3 4994 47.111 3.950 35.521 1.00 0.00 WT1 O ATOM 15800 H1 TIP3 4994 47.802 3.690 36.129 1.00 0.00 WT1 H ATOM 15801 H2 TIP3 4994 47.493 3.820 34.653 1.00 0.00 WT1 H ATOM 15802 OH2 TIP3 4995 53.257 46.949 -19.760 1.00 0.00 WT1 O ATOM 15803 H1 TIP3 4995 54.059 47.285 -19.359 1.00 0.00 WT1 H ATOM 15804 H2 TIP3 4995 52.697 46.717 -19.019 1.00 0.00 WT1 H ATOM 15805 OH2 TIP3 4996 63.324 76.511 51.942 1.00 0.00 WT1 O ATOM 15806 H1 TIP3 4996 63.582 76.020 51.162 1.00 0.00 WT1 H ATOM 15807 H2 TIP3 4996 62.416 76.765 51.777 1.00 0.00 WT1 H ATOM 15808 OH2 TIP3 4997 82.276 24.388 37.920 1.00 0.00 WT1 O ATOM 15809 H1 TIP3 4997 83.004 23.777 37.815 1.00 0.00 WT1 H ATOM 15810 H2 TIP3 4997 81.558 23.995 37.423 1.00 0.00 WT1 H ATOM 15811 OH2 TIP3 4998 78.835 34.529 -12.928 1.00 0.00 WT1 O ATOM 15812 H1 TIP3 4998 79.440 35.144 -13.343 1.00 0.00 WT1 H ATOM 15813 H2 TIP3 4998 78.295 35.073 -12.355 1.00 0.00 WT1 H ATOM 15814 OH2 TIP3 4999 58.124 89.847 9.917 1.00 0.00 WT1 O ATOM 15815 H1 TIP3 4999 57.757 89.108 10.402 1.00 0.00 WT1 H ATOM 15816 H2 TIP3 4999 57.368 90.256 9.494 1.00 0.00 WT1 H ATOM 15817 OH2 TIP3 5000 26.698 95.820 4.002 1.00 0.00 WT1 O ATOM 15818 H1 TIP3 5000 26.247 96.664 3.983 1.00 0.00 WT1 H ATOM 15819 H2 TIP3 5000 27.253 95.862 4.780 1.00 0.00 WT1 H ATOM 15820 OH2 TIP3 5001 62.664 4.202 66.358 1.00 0.00 WT1 O ATOM 15821 H1 TIP3 5001 62.633 3.707 65.539 1.00 0.00 WT1 H ATOM 15822 H2 TIP3 5001 63.550 4.564 66.386 1.00 0.00 WT1 H ATOM 15823 OH2 TIP3 5002 89.046 30.551 1.871 1.00 0.00 WT1 O ATOM 15824 H1 TIP3 5002 88.159 30.852 1.674 1.00 0.00 WT1 H ATOM 15825 H2 TIP3 5002 88.925 29.680 2.248 1.00 0.00 WT1 H ATOM 15826 OH2 TIP3 5003 74.605 3.369 53.016 1.00 0.00 WT1 O ATOM 15827 H1 TIP3 5003 74.227 4.201 53.302 1.00 0.00 WT1 H ATOM 15828 H2 TIP3 5003 74.155 3.172 52.194 1.00 0.00 WT1 H ATOM 15829 OH2 TIP3 5004 58.142 29.227 14.347 1.00 0.00 WT1 O ATOM 15830 H1 TIP3 5004 57.473 29.695 14.847 1.00 0.00 WT1 H ATOM 15831 H2 TIP3 5004 57.903 29.374 13.432 1.00 0.00 WT1 H ATOM 15832 OH2 TIP3 5005 59.946 90.261 55.916 1.00 0.00 WT1 O ATOM 15833 H1 TIP3 5005 60.557 89.684 55.458 1.00 0.00 WT1 H ATOM 15834 H2 TIP3 5005 60.035 91.105 55.474 1.00 0.00 WT1 H ATOM 15835 OH2 TIP3 5007 46.316 31.902 -1.678 1.00 0.00 WT1 O ATOM 15836 H1 TIP3 5007 45.926 32.625 -2.169 1.00 0.00 WT1 H ATOM 15837 H2 TIP3 5007 47.119 31.693 -2.155 1.00 0.00 WT1 H ATOM 15838 OH2 TIP3 5008 58.742 36.257 -3.464 1.00 0.00 WT1 O ATOM 15839 H1 TIP3 5008 57.983 35.765 -3.150 1.00 0.00 WT1 H ATOM 15840 H2 TIP3 5008 58.757 37.047 -2.924 1.00 0.00 WT1 H ATOM 15841 OH2 TIP3 5009 55.700 6.566 67.064 1.00 0.00 WT1 O ATOM 15842 H1 TIP3 5009 55.749 5.618 66.940 1.00 0.00 WT1 H ATOM 15843 H2 TIP3 5009 56.612 6.846 67.138 1.00 0.00 WT1 H ATOM 15844 OH2 TIP3 5010 83.915 32.262 12.215 1.00 0.00 WT1 O ATOM 15845 H1 TIP3 5010 84.593 31.804 11.718 1.00 0.00 WT1 H ATOM 15846 H2 TIP3 5010 84.001 31.922 13.106 1.00 0.00 WT1 H ATOM 15847 OH2 TIP3 5011 68.589 5.854 34.735 1.00 0.00 WT1 O ATOM 15848 H1 TIP3 5011 68.602 6.794 34.916 1.00 0.00 WT1 H ATOM 15849 H2 TIP3 5011 67.708 5.686 34.402 1.00 0.00 WT1 H ATOM 15850 OH2 TIP3 5013 60.186 21.999 3.129 1.00 0.00 WT1 O ATOM 15851 H1 TIP3 5013 60.148 21.213 2.584 1.00 0.00 WT1 H ATOM 15852 H2 TIP3 5013 59.345 22.433 2.983 1.00 0.00 WT1 H ATOM 15853 OH2 TIP3 5014 55.549 19.579 12.810 1.00 0.00 WT1 O ATOM 15854 H1 TIP3 5014 55.563 19.087 11.989 1.00 0.00 WT1 H ATOM 15855 H2 TIP3 5014 54.719 20.054 12.791 1.00 0.00 WT1 H ATOM 15856 OH2 TIP3 5015 34.024 94.250 59.610 1.00 0.00 WT1 O ATOM 15857 H1 TIP3 5015 33.686 94.386 58.725 1.00 0.00 WT1 H ATOM 15858 H2 TIP3 5015 34.314 93.338 59.619 1.00 0.00 WT1 H ATOM 15859 OH2 TIP3 5016 55.218 90.856 42.051 1.00 0.00 WT1 O ATOM 15860 H1 TIP3 5016 55.137 91.601 42.648 1.00 0.00 WT1 H ATOM 15861 H2 TIP3 5016 55.786 91.172 41.349 1.00 0.00 WT1 H ATOM 15862 OH2 TIP3 5017 73.383 1.042 26.269 1.00 0.00 WT1 O ATOM 15863 H1 TIP3 5017 73.985 0.715 25.600 1.00 0.00 WT1 H ATOM 15864 H2 TIP3 5017 72.522 0.732 25.988 1.00 0.00 WT1 H ATOM 15865 OH2 TIP3 5018 28.643 86.174 -0.551 1.00 0.00 WT1 O ATOM 15866 H1 TIP3 5018 28.203 86.519 0.226 1.00 0.00 WT1 H ATOM 15867 H2 TIP3 5018 29.537 86.511 -0.490 1.00 0.00 WT1 H ATOM 15868 OH2 TIP3 5019 25.349 25.298 -17.593 1.00 0.00 WT1 O ATOM 15869 H1 TIP3 5019 25.298 25.865 -18.362 1.00 0.00 WT1 H ATOM 15870 H2 TIP3 5019 24.959 24.471 -17.878 1.00 0.00 WT1 H ATOM 15871 OH2 TIP3 5020 41.238 8.965 45.088 1.00 0.00 WT1 O ATOM 15872 H1 TIP3 5020 41.792 9.429 45.715 1.00 0.00 WT1 H ATOM 15873 H2 TIP3 5020 40.360 9.007 45.466 1.00 0.00 WT1 H ATOM 15874 OH2 TIP3 5021 27.311 7.558 -16.593 1.00 0.00 WT1 O ATOM 15875 H1 TIP3 5021 27.376 6.910 -15.892 1.00 0.00 WT1 H ATOM 15876 H2 TIP3 5021 26.424 7.909 -16.515 1.00 0.00 WT1 H ATOM 15877 OH2 TIP3 5022 90.201 52.594 -1.192 1.00 0.00 WT1 O ATOM 15878 H1 TIP3 5022 89.671 53.048 -0.537 1.00 0.00 WT1 H ATOM 15879 H2 TIP3 5022 89.571 52.308 -1.854 1.00 0.00 WT1 H ATOM 15880 OH2 TIP3 5023 89.596 69.384 -9.138 1.00 0.00 WT1 O ATOM 15881 H1 TIP3 5023 90.387 68.848 -9.091 1.00 0.00 WT1 H ATOM 15882 H2 TIP3 5023 89.517 69.771 -8.266 1.00 0.00 WT1 H ATOM 15883 OH2 TIP3 5024 21.618 66.791 66.396 1.00 0.00 WT1 O ATOM 15884 H1 TIP3 5024 21.000 66.465 67.051 1.00 0.00 WT1 H ATOM 15885 H2 TIP3 5024 22.431 66.319 66.577 1.00 0.00 WT1 H ATOM 15886 OH2 TIP3 5025 42.135 93.400 16.901 1.00 0.00 WT1 O ATOM 15887 H1 TIP3 5025 42.943 92.961 16.635 1.00 0.00 WT1 H ATOM 15888 H2 TIP3 5025 41.877 92.959 17.710 1.00 0.00 WT1 H ATOM 15889 OH2 TIP3 5031 20.508 27.528 33.164 1.00 0.00 WT1 O ATOM 15890 H1 TIP3 5031 21.387 27.643 32.803 1.00 0.00 WT1 H ATOM 15891 H2 TIP3 5031 20.033 28.314 32.896 1.00 0.00 WT1 H ATOM 15892 OH2 TIP3 5033 38.015 29.477 53.326 1.00 0.00 WT1 O ATOM 15893 H1 TIP3 5033 38.471 29.911 52.604 1.00 0.00 WT1 H ATOM 15894 H2 TIP3 5033 38.707 29.027 53.810 1.00 0.00 WT1 H ATOM 15895 OH2 TIP3 5035 58.910 26.107 -16.565 1.00 0.00 WT1 O ATOM 15896 H1 TIP3 5035 59.847 26.304 -16.572 1.00 0.00 WT1 H ATOM 15897 H2 TIP3 5035 58.604 26.364 -17.435 1.00 0.00 WT1 H ATOM 15898 OH2 TIP3 5038 61.372 26.819 22.501 1.00 0.00 WT1 O ATOM 15899 H1 TIP3 5038 60.829 27.170 23.207 1.00 0.00 WT1 H ATOM 15900 H2 TIP3 5038 60.765 26.692 21.772 1.00 0.00 WT1 H ATOM 15901 OH2 TIP3 5039 72.449 46.995 27.877 1.00 0.00 WT1 O ATOM 15902 H1 TIP3 5039 71.935 47.801 27.820 1.00 0.00 WT1 H ATOM 15903 H2 TIP3 5039 72.281 46.665 28.759 1.00 0.00 WT1 H ATOM 15904 OH2 TIP3 5040 78.666 41.406 -16.383 1.00 0.00 WT1 O ATOM 15905 H1 TIP3 5040 78.607 42.238 -16.853 1.00 0.00 WT1 H ATOM 15906 H2 TIP3 5040 78.808 41.656 -15.470 1.00 0.00 WT1 H ATOM 15907 OH2 TIP3 5041 82.430 94.262 37.864 1.00 0.00 WT1 O ATOM 15908 H1 TIP3 5041 82.462 93.461 37.342 1.00 0.00 WT1 H ATOM 15909 H2 TIP3 5041 82.849 94.026 38.692 1.00 0.00 WT1 H ATOM 15910 OH2 TIP3 5043 44.807 36.559 42.441 1.00 0.00 WT1 O ATOM 15911 H1 TIP3 5043 44.012 36.975 42.775 1.00 0.00 WT1 H ATOM 15912 H2 TIP3 5043 44.586 36.305 41.545 1.00 0.00 WT1 H ATOM 15913 OH2 TIP3 5044 25.120 13.416 44.641 1.00 0.00 WT1 O ATOM 15914 H1 TIP3 5044 26.017 13.737 44.735 1.00 0.00 WT1 H ATOM 15915 H2 TIP3 5044 25.108 12.591 45.126 1.00 0.00 WT1 H ATOM 15916 OH2 TIP3 5045 49.770 47.607 -8.782 1.00 0.00 WT1 O ATOM 15917 H1 TIP3 5045 49.998 48.534 -8.712 1.00 0.00 WT1 H ATOM 15918 H2 TIP3 5045 49.644 47.322 -7.876 1.00 0.00 WT1 H ATOM 15919 OH2 TIP3 5046 61.512 28.760 6.496 1.00 0.00 WT1 O ATOM 15920 H1 TIP3 5046 61.322 29.533 7.029 1.00 0.00 WT1 H ATOM 15921 H2 TIP3 5046 61.744 28.082 7.131 1.00 0.00 WT1 H ATOM 15922 OH2 TIP3 5047 58.668 14.253 24.656 1.00 0.00 WT1 O ATOM 15923 H1 TIP3 5047 58.845 14.275 25.597 1.00 0.00 WT1 H ATOM 15924 H2 TIP3 5047 59.306 14.860 24.279 1.00 0.00 WT1 H ATOM 15925 OH2 TIP3 5048 68.745 78.913 58.316 1.00 0.00 WT1 O ATOM 15926 H1 TIP3 5048 68.247 79.714 58.153 1.00 0.00 WT1 H ATOM 15927 H2 TIP3 5048 69.657 79.163 58.163 1.00 0.00 WT1 H ATOM 15928 OH2 TIP3 5049 52.934 8.507 13.848 1.00 0.00 WT1 O ATOM 15929 H1 TIP3 5049 53.410 8.893 14.583 1.00 0.00 WT1 H ATOM 15930 H2 TIP3 5049 52.893 9.205 13.195 1.00 0.00 WT1 H ATOM 15931 OH2 TIP3 5050 63.421 5.563 19.703 1.00 0.00 WT1 O ATOM 15932 H1 TIP3 5050 63.598 4.788 19.168 1.00 0.00 WT1 H ATOM 15933 H2 TIP3 5050 62.984 5.222 20.483 1.00 0.00 WT1 H ATOM 15934 OH2 TIP3 5051 64.704 60.949 44.213 1.00 0.00 WT1 O ATOM 15935 H1 TIP3 5051 63.958 61.298 44.700 1.00 0.00 WT1 H ATOM 15936 H2 TIP3 5051 64.495 60.024 44.083 1.00 0.00 WT1 H ATOM 15937 OH2 TIP3 5055 23.723 57.914 34.736 1.00 0.00 WT1 O ATOM 15938 H1 TIP3 5055 23.997 58.813 34.553 1.00 0.00 WT1 H ATOM 15939 H2 TIP3 5055 24.536 57.409 34.725 1.00 0.00 WT1 H ATOM 15940 OH2 TIP3 5056 37.619 52.079 4.562 1.00 0.00 WT1 O ATOM 15941 H1 TIP3 5056 37.899 51.486 5.260 1.00 0.00 WT1 H ATOM 15942 H2 TIP3 5056 37.940 52.939 4.834 1.00 0.00 WT1 H ATOM 15943 OH2 TIP3 5057 66.937 28.320 23.630 1.00 0.00 WT1 O ATOM 15944 H1 TIP3 5057 66.231 27.824 23.215 1.00 0.00 WT1 H ATOM 15945 H2 TIP3 5057 67.678 27.714 23.645 1.00 0.00 WT1 H ATOM 15946 OH2 TIP3 5058 69.542 7.472 62.429 1.00 0.00 WT1 O ATOM 15947 H1 TIP3 5058 68.757 6.993 62.166 1.00 0.00 WT1 H ATOM 15948 H2 TIP3 5058 70.148 6.794 62.729 1.00 0.00 WT1 H ATOM 15949 OH2 TIP3 5059 74.367 24.059 31.914 1.00 0.00 WT1 O ATOM 15950 H1 TIP3 5059 73.541 23.584 31.827 1.00 0.00 WT1 H ATOM 15951 H2 TIP3 5059 75.009 23.386 32.139 1.00 0.00 WT1 H ATOM 15952 OH2 TIP3 5060 79.776 83.156 -16.544 1.00 0.00 WT1 O ATOM 15953 H1 TIP3 5060 79.959 84.055 -16.269 1.00 0.00 WT1 H ATOM 15954 H2 TIP3 5060 79.491 82.713 -15.744 1.00 0.00 WT1 H ATOM 15955 OH2 TIP3 5061 75.770 20.085 64.652 1.00 0.00 WT1 O ATOM 15956 H1 TIP3 5061 76.377 20.569 65.211 1.00 0.00 WT1 H ATOM 15957 H2 TIP3 5061 75.930 19.165 64.863 1.00 0.00 WT1 H ATOM 15958 OH2 TIP3 5062 39.145 25.549 25.067 1.00 0.00 WT1 O ATOM 15959 H1 TIP3 5062 39.881 25.186 24.574 1.00 0.00 WT1 H ATOM 15960 H2 TIP3 5062 38.376 25.103 24.712 1.00 0.00 WT1 H ATOM 15961 OH2 TIP3 5063 82.917 42.437 27.928 1.00 0.00 WT1 O ATOM 15962 H1 TIP3 5063 83.568 43.031 27.554 1.00 0.00 WT1 H ATOM 15963 H2 TIP3 5063 82.101 42.936 27.917 1.00 0.00 WT1 H ATOM 15964 OH2 TIP3 5064 57.565 79.656 -13.768 1.00 0.00 WT1 O ATOM 15965 H1 TIP3 5064 57.782 78.736 -13.923 1.00 0.00 WT1 H ATOM 15966 H2 TIP3 5064 56.733 79.786 -14.223 1.00 0.00 WT1 H ATOM 15967 OH2 TIP3 5065 42.444 76.298 14.950 1.00 0.00 WT1 O ATOM 15968 H1 TIP3 5065 43.256 76.158 14.463 1.00 0.00 WT1 H ATOM 15969 H2 TIP3 5065 42.623 77.059 15.502 1.00 0.00 WT1 H ATOM 15970 OH2 TIP3 5066 82.210 21.246 -16.441 1.00 0.00 WT1 O ATOM 15971 H1 TIP3 5066 82.654 22.056 -16.693 1.00 0.00 WT1 H ATOM 15972 H2 TIP3 5066 82.319 21.198 -15.491 1.00 0.00 WT1 H ATOM 15973 OH2 TIP3 5067 51.045 96.584 -19.349 1.00 0.00 WT1 O ATOM 15974 H1 TIP3 5067 51.253 96.121 -18.538 1.00 0.00 WT1 H ATOM 15975 H2 TIP3 5067 50.763 97.453 -19.064 1.00 0.00 WT1 H ATOM 15976 OH2 TIP3 5068 70.998 10.822 10.559 1.00 0.00 WT1 O ATOM 15977 H1 TIP3 5068 70.755 10.384 11.375 1.00 0.00 WT1 H ATOM 15978 H2 TIP3 5068 70.263 10.655 9.969 1.00 0.00 WT1 H ATOM 15979 OH2 TIP3 5069 25.164 1.359 6.636 1.00 0.00 WT1 O ATOM 15980 H1 TIP3 5069 25.955 1.889 6.732 1.00 0.00 WT1 H ATOM 15981 H2 TIP3 5069 25.099 1.194 5.696 1.00 0.00 WT1 H ATOM 15982 OH2 TIP3 5070 34.122 49.560 23.958 1.00 0.00 WT1 O ATOM 15983 H1 TIP3 5070 34.651 50.151 23.422 1.00 0.00 WT1 H ATOM 15984 H2 TIP3 5070 33.770 50.117 24.652 1.00 0.00 WT1 H ATOM 15985 OH2 TIP3 5072 54.010 63.602 51.583 1.00 0.00 WT1 O ATOM 15986 H1 TIP3 5072 53.722 64.232 50.923 1.00 0.00 WT1 H ATOM 15987 H2 TIP3 5072 54.292 62.839 51.080 1.00 0.00 WT1 H ATOM 15988 OH2 TIP3 5073 28.284 19.559 6.209 1.00 0.00 WT1 O ATOM 15989 H1 TIP3 5073 28.013 20.250 6.812 1.00 0.00 WT1 H ATOM 15990 H2 TIP3 5073 28.381 20.001 5.365 1.00 0.00 WT1 H ATOM 15991 OH2 TIP3 5074 42.865 96.385 54.591 1.00 0.00 WT1 O ATOM 15992 H1 TIP3 5074 43.631 95.982 55.002 1.00 0.00 WT1 H ATOM 15993 H2 TIP3 5074 42.887 96.072 53.687 1.00 0.00 WT1 H ATOM 15994 OH2 TIP3 5075 81.161 22.329 -10.246 1.00 0.00 WT1 O ATOM 15995 H1 TIP3 5075 80.339 22.309 -10.736 1.00 0.00 WT1 H ATOM 15996 H2 TIP3 5075 81.061 23.063 -9.640 1.00 0.00 WT1 H ATOM 15997 OH2 TIP3 5076 43.813 85.775 -0.739 1.00 0.00 WT1 O ATOM 15998 H1 TIP3 5076 44.591 85.419 -1.167 1.00 0.00 WT1 H ATOM 15999 H2 TIP3 5076 44.157 86.338 -0.045 1.00 0.00 WT1 H ATOM 16000 OH2 TIP3 5077 73.635 15.521 -19.519 1.00 0.00 WT1 O ATOM 16001 H1 TIP3 5077 73.027 16.072 -20.012 1.00 0.00 WT1 H ATOM 16002 H2 TIP3 5077 74.074 14.993 -20.186 1.00 0.00 WT1 H ATOM 16003 OH2 TIP3 5078 79.520 10.075 -13.452 1.00 0.00 WT1 O ATOM 16004 H1 TIP3 5078 79.700 9.701 -12.589 1.00 0.00 WT1 H ATOM 16005 H2 TIP3 5078 79.707 9.364 -14.065 1.00 0.00 WT1 H ATOM 16006 OH2 TIP3 5080 36.766 53.714 56.883 1.00 0.00 WT1 O ATOM 16007 H1 TIP3 5080 37.035 52.991 56.316 1.00 0.00 WT1 H ATOM 16008 H2 TIP3 5080 35.825 53.800 56.732 1.00 0.00 WT1 H ATOM 16009 OH2 TIP3 5081 90.377 80.840 52.405 1.00 0.00 WT1 O ATOM 16010 H1 TIP3 5081 90.934 80.536 53.122 1.00 0.00 WT1 H ATOM 16011 H2 TIP3 5081 90.941 80.807 51.633 1.00 0.00 WT1 H ATOM 16012 OH2 TIP3 5082 56.609 34.425 36.206 1.00 0.00 WT1 O ATOM 16013 H1 TIP3 5082 56.007 34.088 35.542 1.00 0.00 WT1 H ATOM 16014 H2 TIP3 5082 56.383 35.351 36.286 1.00 0.00 WT1 H ATOM 16015 OH2 TIP3 5084 63.295 34.910 -19.510 1.00 0.00 WT1 O ATOM 16016 H1 TIP3 5084 64.103 34.402 -19.436 1.00 0.00 WT1 H ATOM 16017 H2 TIP3 5084 62.632 34.372 -19.077 1.00 0.00 WT1 H ATOM 16018 OH2 TIP3 5085 76.901 69.073 40.360 1.00 0.00 WT1 O ATOM 16019 H1 TIP3 5085 76.537 69.817 39.882 1.00 0.00 WT1 H ATOM 16020 H2 TIP3 5085 77.818 69.038 40.087 1.00 0.00 WT1 H ATOM 16021 OH2 TIP3 5088 79.943 81.129 -7.293 1.00 0.00 WT1 O ATOM 16022 H1 TIP3 5088 80.168 81.168 -8.223 1.00 0.00 WT1 H ATOM 16023 H2 TIP3 5088 79.266 81.797 -7.182 1.00 0.00 WT1 H ATOM 16024 OH2 TIP3 5090 22.434 54.416 -12.655 1.00 0.00 WT1 O ATOM 16025 H1 TIP3 5090 22.258 54.289 -11.723 1.00 0.00 WT1 H ATOM 16026 H2 TIP3 5090 23.327 54.094 -12.777 1.00 0.00 WT1 H ATOM 16027 OH2 TIP3 5091 90.070 68.636 3.330 1.00 0.00 WT1 O ATOM 16028 H1 TIP3 5091 89.312 68.457 3.887 1.00 0.00 WT1 H ATOM 16029 H2 TIP3 5091 89.789 68.377 2.452 1.00 0.00 WT1 H ATOM 16030 OH2 TIP3 5092 71.074 31.062 16.917 1.00 0.00 WT1 O ATOM 16031 H1 TIP3 5092 70.402 31.677 17.213 1.00 0.00 WT1 H ATOM 16032 H2 TIP3 5092 71.118 30.403 17.610 1.00 0.00 WT1 H ATOM 16033 OH2 TIP3 5093 41.771 92.998 12.304 1.00 0.00 WT1 O ATOM 16034 H1 TIP3 5093 40.860 92.716 12.220 1.00 0.00 WT1 H ATOM 16035 H2 TIP3 5093 42.196 92.293 12.791 1.00 0.00 WT1 H ATOM 16036 OH2 TIP3 5096 68.667 34.560 25.235 1.00 0.00 WT1 O ATOM 16037 H1 TIP3 5096 68.949 35.370 25.659 1.00 0.00 WT1 H ATOM 16038 H2 TIP3 5096 67.840 34.787 24.810 1.00 0.00 WT1 H ATOM 16039 OH2 TIP3 5097 31.242 52.822 0.725 1.00 0.00 WT1 O ATOM 16040 H1 TIP3 5097 30.656 52.129 1.030 1.00 0.00 WT1 H ATOM 16041 H2 TIP3 5097 32.007 52.758 1.298 1.00 0.00 WT1 H ATOM 16042 OH2 TIP3 5103 43.705 38.541 63.233 1.00 0.00 WT1 O ATOM 16043 H1 TIP3 5103 43.833 38.353 64.162 1.00 0.00 WT1 H ATOM 16044 H2 TIP3 5103 43.592 37.682 62.827 1.00 0.00 WT1 H ATOM 16045 OH2 TIP3 5104 35.398 12.001 19.628 1.00 0.00 WT1 O ATOM 16046 H1 TIP3 5104 35.241 12.902 19.345 1.00 0.00 WT1 H ATOM 16047 H2 TIP3 5104 36.258 12.028 20.049 1.00 0.00 WT1 H ATOM 16048 OH2 TIP3 5106 49.407 61.108 -8.354 1.00 0.00 WT1 O ATOM 16049 H1 TIP3 5106 49.300 60.490 -7.631 1.00 0.00 WT1 H ATOM 16050 H2 TIP3 5106 48.644 60.960 -8.912 1.00 0.00 WT1 H ATOM 16051 OH2 TIP3 5108 89.787 38.314 29.788 1.00 0.00 WT1 O ATOM 16052 H1 TIP3 5108 89.015 38.671 29.348 1.00 0.00 WT1 H ATOM 16053 H2 TIP3 5108 90.055 39.001 30.397 1.00 0.00 WT1 H ATOM 16054 OH2 TIP3 5109 57.673 90.585 67.061 1.00 0.00 WT1 O ATOM 16055 H1 TIP3 5109 56.958 91.019 67.526 1.00 0.00 WT1 H ATOM 16056 H2 TIP3 5109 58.468 90.936 67.462 1.00 0.00 WT1 H ATOM 16057 OH2 TIP3 5110 81.259 15.308 50.743 1.00 0.00 WT1 O ATOM 16058 H1 TIP3 5110 80.780 14.959 51.495 1.00 0.00 WT1 H ATOM 16059 H2 TIP3 5110 81.882 15.928 51.123 1.00 0.00 WT1 H ATOM 16060 OH2 TIP3 5111 60.185 64.634 -8.375 1.00 0.00 WT1 O ATOM 16061 H1 TIP3 5111 59.715 65.409 -8.682 1.00 0.00 WT1 H ATOM 16062 H2 TIP3 5111 59.500 63.985 -8.213 1.00 0.00 WT1 H ATOM 16063 OH2 TIP3 5114 66.571 77.388 64.473 1.00 0.00 WT1 O ATOM 16064 H1 TIP3 5114 66.404 77.192 63.551 1.00 0.00 WT1 H ATOM 16065 H2 TIP3 5114 66.846 78.305 64.478 1.00 0.00 WT1 H ATOM 16066 OH2 TIP3 5116 70.338 45.891 8.964 1.00 0.00 WT1 O ATOM 16067 H1 TIP3 5116 70.113 45.665 9.866 1.00 0.00 WT1 H ATOM 16068 H2 TIP3 5116 69.522 46.219 8.587 1.00 0.00 WT1 H ATOM 16069 OH2 TIP3 5117 25.287 78.490 35.311 1.00 0.00 WT1 O ATOM 16070 H1 TIP3 5117 24.581 77.847 35.377 1.00 0.00 WT1 H ATOM 16071 H2 TIP3 5117 25.030 79.056 34.583 1.00 0.00 WT1 H ATOM 16072 OH2 TIP3 5122 40.871 42.205 65.966 1.00 0.00 WT1 O ATOM 16073 H1 TIP3 5122 40.056 42.096 65.477 1.00 0.00 WT1 H ATOM 16074 H2 TIP3 5122 41.176 43.082 65.733 1.00 0.00 WT1 H ATOM 16075 OH2 TIP3 5124 31.460 39.411 -10.653 1.00 0.00 WT1 O ATOM 16076 H1 TIP3 5124 31.701 39.744 -9.789 1.00 0.00 WT1 H ATOM 16077 H2 TIP3 5124 31.740 38.495 -10.644 1.00 0.00 WT1 H ATOM 16078 OH2 TIP3 5125 26.518 55.052 52.391 1.00 0.00 WT1 O ATOM 16079 H1 TIP3 5125 26.630 55.959 52.673 1.00 0.00 WT1 H ATOM 16080 H2 TIP3 5125 25.992 54.649 53.082 1.00 0.00 WT1 H ATOM 16081 OH2 TIP3 5126 71.865 21.100 -12.539 1.00 0.00 WT1 O ATOM 16082 H1 TIP3 5126 72.546 20.927 -13.189 1.00 0.00 WT1 H ATOM 16083 H2 TIP3 5126 72.344 21.389 -11.762 1.00 0.00 WT1 H ATOM 16084 OH2 TIP3 5127 41.456 61.233 -1.506 1.00 0.00 WT1 O ATOM 16085 H1 TIP3 5127 42.192 60.876 -1.008 1.00 0.00 WT1 H ATOM 16086 H2 TIP3 5127 40.711 61.177 -0.907 1.00 0.00 WT1 H ATOM 16087 OH2 TIP3 5128 52.064 6.462 38.023 1.00 0.00 WT1 O ATOM 16088 H1 TIP3 5128 52.178 6.734 38.933 1.00 0.00 WT1 H ATOM 16089 H2 TIP3 5128 52.899 6.669 37.604 1.00 0.00 WT1 H ATOM 16090 OH2 TIP3 5129 82.304 86.940 11.523 1.00 0.00 WT1 O ATOM 16091 H1 TIP3 5129 81.984 86.779 12.411 1.00 0.00 WT1 H ATOM 16092 H2 TIP3 5129 82.065 86.152 11.035 1.00 0.00 WT1 H ATOM 16093 OH2 TIP3 5130 61.038 77.094 30.499 1.00 0.00 WT1 O ATOM 16094 H1 TIP3 5130 60.160 77.183 30.869 1.00 0.00 WT1 H ATOM 16095 H2 TIP3 5130 60.905 77.134 29.552 1.00 0.00 WT1 H ATOM 16096 OH2 TIP3 5131 37.925 12.190 53.048 1.00 0.00 WT1 O ATOM 16097 H1 TIP3 5131 37.616 12.728 53.777 1.00 0.00 WT1 H ATOM 16098 H2 TIP3 5131 38.820 12.491 52.890 1.00 0.00 WT1 H ATOM 16099 OH2 TIP3 5132 50.668 20.245 15.508 1.00 0.00 WT1 O ATOM 16100 H1 TIP3 5132 50.756 19.913 14.614 1.00 0.00 WT1 H ATOM 16101 H2 TIP3 5132 49.723 20.279 15.659 1.00 0.00 WT1 H ATOM 16102 OH2 TIP3 5133 28.326 42.928 5.227 1.00 0.00 WT1 O ATOM 16103 H1 TIP3 5133 28.601 43.325 6.053 1.00 0.00 WT1 H ATOM 16104 H2 TIP3 5133 27.746 42.211 5.487 1.00 0.00 WT1 H ATOM 16105 OH2 TIP3 5134 62.922 9.658 -16.700 1.00 0.00 WT1 O ATOM 16106 H1 TIP3 5134 63.288 9.254 -17.487 1.00 0.00 WT1 H ATOM 16107 H2 TIP3 5134 63.654 9.690 -16.084 1.00 0.00 WT1 H ATOM 16108 OH2 TIP3 5135 77.143 30.429 16.244 1.00 0.00 WT1 O ATOM 16109 H1 TIP3 5135 77.734 30.025 15.608 1.00 0.00 WT1 H ATOM 16110 H2 TIP3 5135 76.378 30.689 15.730 1.00 0.00 WT1 H ATOM 16111 OH2 TIP3 5138 55.741 35.548 -12.726 1.00 0.00 WT1 O ATOM 16112 H1 TIP3 5138 54.801 35.721 -12.785 1.00 0.00 WT1 H ATOM 16113 H2 TIP3 5138 56.137 36.164 -13.343 1.00 0.00 WT1 H ATOM 16114 OH2 TIP3 5143 31.932 65.943 35.449 1.00 0.00 WT1 O ATOM 16115 H1 TIP3 5143 32.553 65.771 36.157 1.00 0.00 WT1 H ATOM 16116 H2 TIP3 5143 31.474 65.111 35.324 1.00 0.00 WT1 H ATOM 16117 OH2 TIP3 5144 20.768 39.433 65.967 1.00 0.00 WT1 O ATOM 16118 H1 TIP3 5144 19.994 38.888 66.106 1.00 0.00 WT1 H ATOM 16119 H2 TIP3 5144 21.051 39.679 66.848 1.00 0.00 WT1 H ATOM 16120 OH2 TIP3 5146 54.741 63.544 -8.915 1.00 0.00 WT1 O ATOM 16121 H1 TIP3 5146 55.070 62.973 -8.221 1.00 0.00 WT1 H ATOM 16122 H2 TIP3 5146 53.808 63.337 -8.973 1.00 0.00 WT1 H ATOM 16123 OH2 TIP3 5147 47.762 34.791 48.068 1.00 0.00 WT1 O ATOM 16124 H1 TIP3 5147 47.724 35.060 47.151 1.00 0.00 WT1 H ATOM 16125 H2 TIP3 5147 48.686 34.592 48.222 1.00 0.00 WT1 H ATOM 16126 OH2 TIP3 5148 47.013 40.653 57.740 1.00 0.00 WT1 O ATOM 16127 H1 TIP3 5148 47.557 41.093 57.087 1.00 0.00 WT1 H ATOM 16128 H2 TIP3 5148 46.406 41.329 58.041 1.00 0.00 WT1 H ATOM 16129 OH2 TIP3 5149 84.452 37.951 66.306 1.00 0.00 WT1 O ATOM 16130 H1 TIP3 5149 84.471 38.252 67.215 1.00 0.00 WT1 H ATOM 16131 H2 TIP3 5149 84.101 38.694 65.815 1.00 0.00 WT1 H ATOM 16132 OH2 TIP3 5151 79.393 4.645 -14.902 1.00 0.00 WT1 O ATOM 16133 H1 TIP3 5151 80.170 4.359 -15.382 1.00 0.00 WT1 H ATOM 16134 H2 TIP3 5151 79.296 4.004 -14.198 1.00 0.00 WT1 H ATOM 16135 OH2 TIP3 5152 41.441 71.272 -8.967 1.00 0.00 WT1 O ATOM 16136 H1 TIP3 5152 41.871 70.807 -8.249 1.00 0.00 WT1 H ATOM 16137 H2 TIP3 5152 40.901 71.934 -8.535 1.00 0.00 WT1 H ATOM 16138 OH2 TIP3 5154 89.798 28.942 8.307 1.00 0.00 WT1 O ATOM 16139 H1 TIP3 5154 90.537 29.442 8.653 1.00 0.00 WT1 H ATOM 16140 H2 TIP3 5154 89.223 28.810 9.061 1.00 0.00 WT1 H ATOM 16141 OH2 TIP3 5156 27.492 90.833 -4.500 1.00 0.00 WT1 O ATOM 16142 H1 TIP3 5156 28.053 90.227 -4.016 1.00 0.00 WT1 H ATOM 16143 H2 TIP3 5156 27.675 90.646 -5.421 1.00 0.00 WT1 H ATOM 16144 OH2 TIP3 5162 78.045 22.033 64.978 1.00 0.00 WT1 O ATOM 16145 H1 TIP3 5162 77.371 22.710 64.919 1.00 0.00 WT1 H ATOM 16146 H2 TIP3 5162 78.753 22.442 65.477 1.00 0.00 WT1 H ATOM 16147 OH2 TIP3 5163 22.056 18.118 44.748 1.00 0.00 WT1 O ATOM 16148 H1 TIP3 5163 21.572 18.826 44.323 1.00 0.00 WT1 H ATOM 16149 H2 TIP3 5163 22.790 17.942 44.160 1.00 0.00 WT1 H ATOM 16150 OH2 TIP3 5164 46.100 69.984 26.835 1.00 0.00 WT1 O ATOM 16151 H1 TIP3 5164 46.367 70.842 27.163 1.00 0.00 WT1 H ATOM 16152 H2 TIP3 5164 46.668 69.828 26.080 1.00 0.00 WT1 H ATOM 16153 OH2 TIP3 5165 51.369 17.416 62.023 1.00 0.00 WT1 O ATOM 16154 H1 TIP3 5165 51.746 17.716 61.196 1.00 0.00 WT1 H ATOM 16155 H2 TIP3 5165 51.191 16.485 61.883 1.00 0.00 WT1 H ATOM 16156 OH2 TIP3 5166 82.879 86.351 -6.158 1.00 0.00 WT1 O ATOM 16157 H1 TIP3 5166 83.122 87.220 -5.839 1.00 0.00 WT1 H ATOM 16158 H2 TIP3 5166 83.332 85.744 -5.573 1.00 0.00 WT1 H ATOM 16159 OH2 TIP3 5167 63.187 22.879 -14.919 1.00 0.00 WT1 O ATOM 16160 H1 TIP3 5167 62.325 23.195 -14.646 1.00 0.00 WT1 H ATOM 16161 H2 TIP3 5167 63.605 23.640 -15.321 1.00 0.00 WT1 H ATOM 16162 OH2 TIP3 5168 75.006 12.899 36.760 1.00 0.00 WT1 O ATOM 16163 H1 TIP3 5168 75.475 13.645 36.384 1.00 0.00 WT1 H ATOM 16164 H2 TIP3 5168 75.687 12.376 37.181 1.00 0.00 WT1 H ATOM 16165 OH2 TIP3 5169 60.944 25.537 60.749 1.00 0.00 WT1 O ATOM 16166 H1 TIP3 5169 60.739 26.105 60.007 1.00 0.00 WT1 H ATOM 16167 H2 TIP3 5169 60.991 26.129 61.499 1.00 0.00 WT1 H ATOM 16168 OH2 TIP3 5170 21.058 39.569 50.604 1.00 0.00 WT1 O ATOM 16169 H1 TIP3 5170 21.937 39.946 50.582 1.00 0.00 WT1 H ATOM 16170 H2 TIP3 5170 20.833 39.540 51.534 1.00 0.00 WT1 H ATOM 16171 OH2 TIP3 5171 28.835 16.377 8.524 1.00 0.00 WT1 O ATOM 16172 H1 TIP3 5171 28.485 17.253 8.684 1.00 0.00 WT1 H ATOM 16173 H2 TIP3 5171 29.041 16.369 7.589 1.00 0.00 WT1 H ATOM 16174 OH2 TIP3 5172 28.826 45.265 22.529 1.00 0.00 WT1 O ATOM 16175 H1 TIP3 5172 28.172 44.686 22.139 1.00 0.00 WT1 H ATOM 16176 H2 TIP3 5172 29.663 44.937 22.200 1.00 0.00 WT1 H ATOM 16177 OH2 TIP3 5173 32.387 53.537 9.068 1.00 0.00 WT1 O ATOM 16178 H1 TIP3 5173 32.561 54.228 9.707 1.00 0.00 WT1 H ATOM 16179 H2 TIP3 5173 32.988 52.831 9.307 1.00 0.00 WT1 H ATOM 16180 OH2 TIP3 5174 87.316 92.987 -18.006 1.00 0.00 WT1 O ATOM 16181 H1 TIP3 5174 87.837 93.689 -17.617 1.00 0.00 WT1 H ATOM 16182 H2 TIP3 5174 87.510 92.219 -17.468 1.00 0.00 WT1 H ATOM 16183 OH2 TIP3 5175 68.474 45.416 28.267 1.00 0.00 WT1 O ATOM 16184 H1 TIP3 5175 67.585 45.766 28.203 1.00 0.00 WT1 H ATOM 16185 H2 TIP3 5175 68.963 46.087 28.743 1.00 0.00 WT1 H ATOM 16186 OH2 TIP3 5176 32.822 52.112 25.008 1.00 0.00 WT1 O ATOM 16187 H1 TIP3 5176 32.911 52.893 24.462 1.00 0.00 WT1 H ATOM 16188 H2 TIP3 5176 33.088 52.399 25.882 1.00 0.00 WT1 H ATOM 16189 OH2 TIP3 5180 53.440 51.334 22.533 1.00 0.00 WT1 O ATOM 16190 H1 TIP3 5180 53.567 50.621 21.907 1.00 0.00 WT1 H ATOM 16191 H2 TIP3 5180 53.039 52.036 22.020 1.00 0.00 WT1 H ATOM 16192 OH2 TIP3 5185 28.099 50.970 38.588 1.00 0.00 WT1 O ATOM 16193 H1 TIP3 5185 28.333 51.819 38.963 1.00 0.00 WT1 H ATOM 16194 H2 TIP3 5185 28.490 50.978 37.714 1.00 0.00 WT1 H ATOM 16195 OH2 TIP3 5186 51.480 49.880 -13.641 1.00 0.00 WT1 O ATOM 16196 H1 TIP3 5186 50.720 50.455 -13.556 1.00 0.00 WT1 H ATOM 16197 H2 TIP3 5186 52.011 50.069 -12.867 1.00 0.00 WT1 H ATOM 16198 OH2 TIP3 5187 77.057 29.032 45.778 1.00 0.00 WT1 O ATOM 16199 H1 TIP3 5187 77.934 29.339 45.548 1.00 0.00 WT1 H ATOM 16200 H2 TIP3 5187 76.724 28.633 44.974 1.00 0.00 WT1 H ATOM 16201 OH2 TIP3 5188 24.379 6.606 -3.313 1.00 0.00 WT1 O ATOM 16202 H1 TIP3 5188 24.741 7.475 -3.487 1.00 0.00 WT1 H ATOM 16203 H2 TIP3 5188 25.141 6.069 -3.091 1.00 0.00 WT1 H ATOM 16204 OH2 TIP3 5189 53.958 67.318 -13.534 1.00 0.00 WT1 O ATOM 16205 H1 TIP3 5189 54.094 67.346 -12.587 1.00 0.00 WT1 H ATOM 16206 H2 TIP3 5189 54.344 66.485 -13.807 1.00 0.00 WT1 H ATOM 16207 OH2 TIP3 5190 46.541 40.291 -9.812 1.00 0.00 WT1 O ATOM 16208 H1 TIP3 5190 46.196 39.484 -9.428 1.00 0.00 WT1 H ATOM 16209 H2 TIP3 5190 46.898 40.020 -10.658 1.00 0.00 WT1 H ATOM 16210 OH2 TIP3 5191 21.628 80.886 23.318 1.00 0.00 WT1 O ATOM 16211 H1 TIP3 5191 21.144 80.064 23.240 1.00 0.00 WT1 H ATOM 16212 H2 TIP3 5191 20.967 81.567 23.193 1.00 0.00 WT1 H ATOM 16213 OH2 TIP3 5192 86.875 62.982 39.357 1.00 0.00 WT1 O ATOM 16214 H1 TIP3 5192 86.061 62.733 38.921 1.00 0.00 WT1 H ATOM 16215 H2 TIP3 5192 87.289 63.603 38.756 1.00 0.00 WT1 H ATOM 16216 OH2 TIP3 5193 56.001 21.082 2.393 1.00 0.00 WT1 O ATOM 16217 H1 TIP3 5193 55.962 21.178 3.345 1.00 0.00 WT1 H ATOM 16218 H2 TIP3 5193 55.241 20.542 2.175 1.00 0.00 WT1 H ATOM 16219 OH2 TIP3 5194 84.484 81.269 3.574 1.00 0.00 WT1 O ATOM 16220 H1 TIP3 5194 84.762 80.589 2.960 1.00 0.00 WT1 H ATOM 16221 H2 TIP3 5194 83.612 81.523 3.272 1.00 0.00 WT1 H ATOM 16222 OH2 TIP3 5196 33.672 26.240 20.962 1.00 0.00 WT1 O ATOM 16223 H1 TIP3 5196 34.368 26.054 20.331 1.00 0.00 WT1 H ATOM 16224 H2 TIP3 5196 33.456 27.161 20.816 1.00 0.00 WT1 H ATOM 16225 OH2 TIP3 5199 46.163 59.134 16.763 1.00 0.00 WT1 O ATOM 16226 H1 TIP3 5199 46.154 59.277 17.709 1.00 0.00 WT1 H ATOM 16227 H2 TIP3 5199 47.019 59.455 16.480 1.00 0.00 WT1 H ATOM 16228 OH2 TIP3 5202 61.010 64.040 24.690 1.00 0.00 WT1 O ATOM 16229 H1 TIP3 5202 60.795 63.680 23.829 1.00 0.00 WT1 H ATOM 16230 H2 TIP3 5202 60.790 64.969 24.623 1.00 0.00 WT1 H ATOM 16231 OH2 TIP3 5205 29.216 25.054 11.807 1.00 0.00 WT1 O ATOM 16232 H1 TIP3 5205 29.382 24.662 12.664 1.00 0.00 WT1 H ATOM 16233 H2 TIP3 5205 28.289 24.884 11.640 1.00 0.00 WT1 H ATOM 16234 OH2 TIP3 5206 27.203 61.213 60.739 1.00 0.00 WT1 O ATOM 16235 H1 TIP3 5206 26.858 61.749 61.454 1.00 0.00 WT1 H ATOM 16236 H2 TIP3 5206 27.898 60.694 61.142 1.00 0.00 WT1 H ATOM 16237 OH2 TIP3 5207 54.802 25.230 -0.890 1.00 0.00 WT1 O ATOM 16238 H1 TIP3 5207 54.806 26.155 -1.136 1.00 0.00 WT1 H ATOM 16239 H2 TIP3 5207 53.875 25.002 -0.828 1.00 0.00 WT1 H ATOM 16240 OH2 TIP3 5209 82.198 76.686 29.526 1.00 0.00 WT1 O ATOM 16241 H1 TIP3 5209 81.319 77.032 29.679 1.00 0.00 WT1 H ATOM 16242 H2 TIP3 5209 82.109 75.741 29.655 1.00 0.00 WT1 H ATOM 16243 OH2 TIP3 5211 69.624 89.048 -10.016 1.00 0.00 WT1 O ATOM 16244 H1 TIP3 5211 69.944 89.185 -10.908 1.00 0.00 WT1 H ATOM 16245 H2 TIP3 5211 68.674 88.980 -10.109 1.00 0.00 WT1 H ATOM 16246 OH2 TIP3 5212 62.520 56.605 59.461 1.00 0.00 WT1 O ATOM 16247 H1 TIP3 5212 62.459 57.474 59.858 1.00 0.00 WT1 H ATOM 16248 H2 TIP3 5212 61.656 56.218 59.598 1.00 0.00 WT1 H ATOM 16249 OH2 TIP3 5213 54.679 89.989 60.378 1.00 0.00 WT1 O ATOM 16250 H1 TIP3 5213 55.333 89.291 60.417 1.00 0.00 WT1 H ATOM 16251 H2 TIP3 5213 54.575 90.272 61.286 1.00 0.00 WT1 H ATOM 16252 OH2 TIP3 5214 78.235 91.317 56.874 1.00 0.00 WT1 O ATOM 16253 H1 TIP3 5214 77.874 90.798 56.156 1.00 0.00 WT1 H ATOM 16254 H2 TIP3 5214 79.054 90.876 57.101 1.00 0.00 WT1 H ATOM 16255 OH2 TIP3 5216 47.891 74.640 -12.084 1.00 0.00 WT1 O ATOM 16256 H1 TIP3 5216 47.077 74.178 -11.886 1.00 0.00 WT1 H ATOM 16257 H2 TIP3 5216 47.888 74.733 -13.037 1.00 0.00 WT1 H ATOM 16258 OH2 TIP3 5219 85.221 92.702 6.559 1.00 0.00 WT1 O ATOM 16259 H1 TIP3 5219 84.898 91.816 6.395 1.00 0.00 WT1 H ATOM 16260 H2 TIP3 5219 86.162 92.592 6.698 1.00 0.00 WT1 H ATOM 16261 OH2 TIP3 5226 29.611 71.591 19.135 1.00 0.00 WT1 O ATOM 16262 H1 TIP3 5226 28.758 71.158 19.163 1.00 0.00 WT1 H ATOM 16263 H2 TIP3 5226 29.566 72.254 19.823 1.00 0.00 WT1 H ATOM 16264 OH2 TIP3 5230 44.602 49.110 66.580 1.00 0.00 WT1 O ATOM 16265 H1 TIP3 5230 45.147 48.738 65.886 1.00 0.00 WT1 H ATOM 16266 H2 TIP3 5230 43.710 48.849 66.351 1.00 0.00 WT1 H ATOM 16267 OH2 TIP3 5231 85.603 63.800 1.970 1.00 0.00 WT1 O ATOM 16268 H1 TIP3 5231 85.794 62.897 2.223 1.00 0.00 WT1 H ATOM 16269 H2 TIP3 5231 86.172 64.331 2.528 1.00 0.00 WT1 H ATOM 16270 OH2 TIP3 5233 72.399 45.483 1.852 1.00 0.00 WT1 O ATOM 16271 H1 TIP3 5233 72.921 46.114 2.348 1.00 0.00 WT1 H ATOM 16272 H2 TIP3 5233 71.537 45.505 2.268 1.00 0.00 WT1 H ATOM 16273 OH2 TIP3 5236 46.572 53.637 21.834 1.00 0.00 WT1 O ATOM 16274 H1 TIP3 5236 47.478 53.685 21.529 1.00 0.00 WT1 H ATOM 16275 H2 TIP3 5236 46.390 54.509 22.184 1.00 0.00 WT1 H ATOM 16276 OH2 TIP3 5239 31.930 14.990 43.581 1.00 0.00 WT1 O ATOM 16277 H1 TIP3 5239 32.801 15.308 43.818 1.00 0.00 WT1 H ATOM 16278 H2 TIP3 5239 31.564 14.658 44.400 1.00 0.00 WT1 H ATOM 16279 OH2 TIP3 5241 22.557 11.258 10.905 1.00 0.00 WT1 O ATOM 16280 H1 TIP3 5241 22.664 10.415 11.345 1.00 0.00 WT1 H ATOM 16281 H2 TIP3 5241 23.451 11.558 10.741 1.00 0.00 WT1 H ATOM 16282 OH2 TIP3 5243 78.406 90.133 7.518 1.00 0.00 WT1 O ATOM 16283 H1 TIP3 5243 78.834 90.302 6.679 1.00 0.00 WT1 H ATOM 16284 H2 TIP3 5243 77.617 89.642 7.290 1.00 0.00 WT1 H ATOM 16285 OH2 TIP3 5246 62.100 49.247 25.290 1.00 0.00 WT1 O ATOM 16286 H1 TIP3 5246 61.437 48.789 25.806 1.00 0.00 WT1 H ATOM 16287 H2 TIP3 5246 61.610 49.907 24.801 1.00 0.00 WT1 H ATOM 16288 OH2 TIP3 5247 57.791 42.463 33.604 1.00 0.00 WT1 O ATOM 16289 H1 TIP3 5247 57.026 43.031 33.511 1.00 0.00 WT1 H ATOM 16290 H2 TIP3 5247 58.492 42.928 33.147 1.00 0.00 WT1 H ATOM 16291 OH2 TIP3 5251 56.935 31.951 2.184 1.00 0.00 WT1 O ATOM 16292 H1 TIP3 5251 57.482 32.625 1.780 1.00 0.00 WT1 H ATOM 16293 H2 TIP3 5251 56.687 32.319 3.032 1.00 0.00 WT1 H ATOM 16294 OH2 TIP3 5252 51.277 69.555 29.110 1.00 0.00 WT1 O ATOM 16295 H1 TIP3 5252 50.925 68.752 28.725 1.00 0.00 WT1 H ATOM 16296 H2 TIP3 5252 51.541 69.301 29.995 1.00 0.00 WT1 H ATOM 16297 OH2 TIP3 5253 85.192 70.678 39.676 1.00 0.00 WT1 O ATOM 16298 H1 TIP3 5253 85.981 70.165 39.844 1.00 0.00 WT1 H ATOM 16299 H2 TIP3 5253 85.340 71.072 38.817 1.00 0.00 WT1 H ATOM 16300 OH2 TIP3 5254 57.708 67.530 45.151 1.00 0.00 WT1 O ATOM 16301 H1 TIP3 5254 57.063 67.949 44.582 1.00 0.00 WT1 H ATOM 16302 H2 TIP3 5254 57.193 67.168 45.872 1.00 0.00 WT1 H ATOM 16303 OH2 TIP3 5255 44.614 38.179 -19.275 1.00 0.00 WT1 O ATOM 16304 H1 TIP3 5255 45.350 38.274 -19.879 1.00 0.00 WT1 H ATOM 16305 H2 TIP3 5255 44.875 37.468 -18.690 1.00 0.00 WT1 H ATOM 16306 OH2 TIP3 5259 60.017 22.680 -14.980 1.00 0.00 WT1 O ATOM 16307 H1 TIP3 5259 60.423 22.547 -15.836 1.00 0.00 WT1 H ATOM 16308 H2 TIP3 5259 59.077 22.691 -15.159 1.00 0.00 WT1 H ATOM 16309 OH2 TIP3 5260 44.109 74.808 17.246 1.00 0.00 WT1 O ATOM 16310 H1 TIP3 5260 44.277 74.020 17.764 1.00 0.00 WT1 H ATOM 16311 H2 TIP3 5260 44.644 74.697 16.460 1.00 0.00 WT1 H ATOM 16312 OH2 TIP3 5264 40.625 27.654 18.053 1.00 0.00 WT1 O ATOM 16313 H1 TIP3 5264 41.562 27.737 18.232 1.00 0.00 WT1 H ATOM 16314 H2 TIP3 5264 40.249 28.482 18.352 1.00 0.00 WT1 H ATOM 16315 OH2 TIP3 5266 48.206 28.979 33.324 1.00 0.00 WT1 O ATOM 16316 H1 TIP3 5266 48.965 29.382 32.903 1.00 0.00 WT1 H ATOM 16317 H2 TIP3 5266 47.667 29.719 33.605 1.00 0.00 WT1 H ATOM 16318 OH2 TIP3 5267 54.998 85.078 11.222 1.00 0.00 WT1 O ATOM 16319 H1 TIP3 5267 54.150 85.180 10.789 1.00 0.00 WT1 H ATOM 16320 H2 TIP3 5267 55.291 85.973 11.389 1.00 0.00 WT1 H ATOM 16321 OH2 TIP3 5268 41.704 32.616 42.828 1.00 0.00 WT1 O ATOM 16322 H1 TIP3 5268 41.912 32.635 41.894 1.00 0.00 WT1 H ATOM 16323 H2 TIP3 5268 42.076 33.427 43.173 1.00 0.00 WT1 H ATOM 16324 OH2 TIP3 5269 50.854 54.302 17.831 1.00 0.00 WT1 O ATOM 16325 H1 TIP3 5269 51.346 53.562 17.475 1.00 0.00 WT1 H ATOM 16326 H2 TIP3 5269 49.936 54.050 17.731 1.00 0.00 WT1 H ATOM 16327 OH2 TIP3 5270 57.321 47.333 -13.772 1.00 0.00 WT1 O ATOM 16328 H1 TIP3 5270 58.261 47.429 -13.924 1.00 0.00 WT1 H ATOM 16329 H2 TIP3 5270 57.183 46.388 -13.712 1.00 0.00 WT1 H ATOM 16330 OH2 TIP3 5271 31.141 11.840 51.369 1.00 0.00 WT1 O ATOM 16331 H1 TIP3 5271 31.606 11.298 52.005 1.00 0.00 WT1 H ATOM 16332 H2 TIP3 5271 31.833 12.250 50.850 1.00 0.00 WT1 H ATOM 16333 OH2 TIP3 5272 56.471 83.063 12.292 1.00 0.00 WT1 O ATOM 16334 H1 TIP3 5272 56.148 82.395 11.687 1.00 0.00 WT1 H ATOM 16335 H2 TIP3 5272 56.005 83.860 12.038 1.00 0.00 WT1 H ATOM 16336 OH2 TIP3 5273 60.973 6.803 44.460 1.00 0.00 WT1 O ATOM 16337 H1 TIP3 5273 61.739 6.339 44.796 1.00 0.00 WT1 H ATOM 16338 H2 TIP3 5273 60.399 6.900 45.221 1.00 0.00 WT1 H ATOM 16339 OH2 TIP3 5274 44.024 3.115 -10.374 1.00 0.00 WT1 O ATOM 16340 H1 TIP3 5274 43.165 2.704 -10.285 1.00 0.00 WT1 H ATOM 16341 H2 TIP3 5274 43.904 3.779 -11.053 1.00 0.00 WT1 H ATOM 16342 OH2 TIP3 5275 52.744 63.213 41.926 1.00 0.00 WT1 O ATOM 16343 H1 TIP3 5275 52.628 62.887 41.034 1.00 0.00 WT1 H ATOM 16344 H2 TIP3 5275 53.692 63.229 42.055 1.00 0.00 WT1 H ATOM 16345 OH2 TIP3 5276 66.551 59.556 -13.865 1.00 0.00 WT1 O ATOM 16346 H1 TIP3 5276 67.327 59.119 -14.215 1.00 0.00 WT1 H ATOM 16347 H2 TIP3 5276 66.227 60.088 -14.591 1.00 0.00 WT1 H ATOM 16348 OH2 TIP3 5277 51.884 61.947 61.541 1.00 0.00 WT1 O ATOM 16349 H1 TIP3 5277 52.296 62.442 60.833 1.00 0.00 WT1 H ATOM 16350 H2 TIP3 5277 51.706 62.600 62.218 1.00 0.00 WT1 H ATOM 16351 OH2 TIP3 5278 41.283 63.861 9.602 1.00 0.00 WT1 O ATOM 16352 H1 TIP3 5278 41.890 63.122 9.573 1.00 0.00 WT1 H ATOM 16353 H2 TIP3 5278 41.829 64.611 9.835 1.00 0.00 WT1 H ATOM 16354 OH2 TIP3 5280 29.163 61.236 22.595 1.00 0.00 WT1 O ATOM 16355 H1 TIP3 5280 30.008 60.872 22.859 1.00 0.00 WT1 H ATOM 16356 H2 TIP3 5280 29.159 62.121 22.960 1.00 0.00 WT1 H ATOM 16357 OH2 TIP3 5283 62.072 61.742 45.429 1.00 0.00 WT1 O ATOM 16358 H1 TIP3 5283 61.371 62.288 45.073 1.00 0.00 WT1 H ATOM 16359 H2 TIP3 5283 61.766 60.844 45.299 1.00 0.00 WT1 H ATOM 16360 OH2 TIP3 5284 37.720 7.523 17.106 1.00 0.00 WT1 O ATOM 16361 H1 TIP3 5284 36.976 8.080 17.332 1.00 0.00 WT1 H ATOM 16362 H2 TIP3 5284 38.361 7.686 17.798 1.00 0.00 WT1 H ATOM 16363 OH2 TIP3 5286 36.670 22.533 -5.150 1.00 0.00 WT1 O ATOM 16364 H1 TIP3 5286 37.434 22.777 -4.627 1.00 0.00 WT1 H ATOM 16365 H2 TIP3 5286 37.015 21.937 -5.815 1.00 0.00 WT1 H ATOM 16366 OH2 TIP3 5288 49.859 81.735 45.797 1.00 0.00 WT1 O ATOM 16367 H1 TIP3 5288 49.538 81.014 45.256 1.00 0.00 WT1 H ATOM 16368 H2 TIP3 5288 50.782 81.822 45.559 1.00 0.00 WT1 H ATOM 16369 OH2 TIP3 5289 53.122 85.467 -16.005 1.00 0.00 WT1 O ATOM 16370 H1 TIP3 5289 53.951 84.999 -16.109 1.00 0.00 WT1 H ATOM 16371 H2 TIP3 5289 52.832 85.247 -15.120 1.00 0.00 WT1 H ATOM 16372 OH2 TIP3 5292 32.698 10.498 64.733 1.00 0.00 WT1 O ATOM 16373 H1 TIP3 5292 32.289 10.728 65.568 1.00 0.00 WT1 H ATOM 16374 H2 TIP3 5292 32.402 9.605 64.559 1.00 0.00 WT1 H ATOM 16375 OH2 TIP3 5293 68.709 55.387 -2.743 1.00 0.00 WT1 O ATOM 16376 H1 TIP3 5293 69.224 55.374 -1.936 1.00 0.00 WT1 H ATOM 16377 H2 TIP3 5293 67.830 55.645 -2.463 1.00 0.00 WT1 H ATOM 16378 OH2 TIP3 5294 75.181 90.266 16.468 1.00 0.00 WT1 O ATOM 16379 H1 TIP3 5294 74.655 89.778 15.834 1.00 0.00 WT1 H ATOM 16380 H2 TIP3 5294 76.002 90.447 16.009 1.00 0.00 WT1 H ATOM 16381 OH2 TIP3 5295 59.034 33.243 65.985 1.00 0.00 WT1 O ATOM 16382 H1 TIP3 5295 58.988 34.078 66.452 1.00 0.00 WT1 H ATOM 16383 H2 TIP3 5295 58.122 32.964 65.903 1.00 0.00 WT1 H ATOM 16384 OH2 TIP3 5296 58.297 17.499 47.131 1.00 0.00 WT1 O ATOM 16385 H1 TIP3 5296 59.134 17.638 46.689 1.00 0.00 WT1 H ATOM 16386 H2 TIP3 5296 58.442 17.810 48.024 1.00 0.00 WT1 H ATOM 16387 OH2 TIP3 5297 56.476 58.003 -1.407 1.00 0.00 WT1 O ATOM 16388 H1 TIP3 5297 56.750 58.586 -0.698 1.00 0.00 WT1 H ATOM 16389 H2 TIP3 5297 55.990 57.305 -0.968 1.00 0.00 WT1 H ATOM 16390 OH2 TIP3 5298 25.528 59.059 29.635 1.00 0.00 WT1 O ATOM 16391 H1 TIP3 5298 25.859 59.957 29.649 1.00 0.00 WT1 H ATOM 16392 H2 TIP3 5298 26.147 58.584 29.080 1.00 0.00 WT1 H ATOM 16393 OH2 TIP3 5300 83.293 48.076 11.974 1.00 0.00 WT1 O ATOM 16394 H1 TIP3 5300 82.742 47.716 12.669 1.00 0.00 WT1 H ATOM 16395 H2 TIP3 5300 83.772 48.792 12.393 1.00 0.00 WT1 H ATOM 16396 OH2 TIP3 5301 48.130 87.841 60.783 1.00 0.00 WT1 O ATOM 16397 H1 TIP3 5301 48.726 88.474 61.183 1.00 0.00 WT1 H ATOM 16398 H2 TIP3 5301 47.343 88.346 60.581 1.00 0.00 WT1 H ATOM 16399 OH2 TIP3 5302 63.122 83.288 21.035 1.00 0.00 WT1 O ATOM 16400 H1 TIP3 5302 62.826 83.788 21.797 1.00 0.00 WT1 H ATOM 16401 H2 TIP3 5302 62.362 83.264 20.454 1.00 0.00 WT1 H ATOM 16402 OH2 TIP3 5304 62.247 83.089 29.669 1.00 0.00 WT1 O ATOM 16403 H1 TIP3 5304 62.321 82.293 30.195 1.00 0.00 WT1 H ATOM 16404 H2 TIP3 5304 62.309 82.785 28.764 1.00 0.00 WT1 H ATOM 16405 OH2 TIP3 5305 69.784 28.966 -11.892 1.00 0.00 WT1 O ATOM 16406 H1 TIP3 5305 69.365 28.116 -12.028 1.00 0.00 WT1 H ATOM 16407 H2 TIP3 5305 70.709 28.759 -11.757 1.00 0.00 WT1 H ATOM 16408 OH2 TIP3 5306 43.285 7.374 22.901 1.00 0.00 WT1 O ATOM 16409 H1 TIP3 5306 44.216 7.592 22.875 1.00 0.00 WT1 H ATOM 16410 H2 TIP3 5306 43.083 7.294 23.833 1.00 0.00 WT1 H ATOM 16411 OH2 TIP3 5309 75.379 10.854 7.120 1.00 0.00 WT1 O ATOM 16412 H1 TIP3 5309 74.609 10.294 7.225 1.00 0.00 WT1 H ATOM 16413 H2 TIP3 5309 75.150 11.663 7.577 1.00 0.00 WT1 H ATOM 16414 OH2 TIP3 5311 46.949 6.329 -0.435 1.00 0.00 WT1 O ATOM 16415 H1 TIP3 5311 46.703 6.067 0.452 1.00 0.00 WT1 H ATOM 16416 H2 TIP3 5311 46.238 6.006 -0.987 1.00 0.00 WT1 H ATOM 16417 OH2 TIP3 5313 68.781 2.307 7.658 1.00 0.00 WT1 O ATOM 16418 H1 TIP3 5313 68.059 1.945 7.145 1.00 0.00 WT1 H ATOM 16419 H2 TIP3 5313 68.721 3.253 7.524 1.00 0.00 WT1 H ATOM 16420 OH2 TIP3 5314 39.212 87.519 -17.485 1.00 0.00 WT1 O ATOM 16421 H1 TIP3 5314 38.769 87.164 -16.714 1.00 0.00 WT1 H ATOM 16422 H2 TIP3 5314 40.144 87.413 -17.297 1.00 0.00 WT1 H ATOM 16423 OH2 TIP3 5315 65.077 69.758 54.450 1.00 0.00 WT1 O ATOM 16424 H1 TIP3 5315 65.741 69.240 53.995 1.00 0.00 WT1 H ATOM 16425 H2 TIP3 5315 64.349 69.811 53.831 1.00 0.00 WT1 H ATOM 16426 OH2 TIP3 5316 70.635 61.803 10.664 1.00 0.00 WT1 O ATOM 16427 H1 TIP3 5316 70.061 61.320 11.258 1.00 0.00 WT1 H ATOM 16428 H2 TIP3 5316 70.471 61.416 9.804 1.00 0.00 WT1 H ATOM 16429 OH2 TIP3 5317 72.108 18.766 57.465 1.00 0.00 WT1 O ATOM 16430 H1 TIP3 5317 71.978 19.627 57.067 1.00 0.00 WT1 H ATOM 16431 H2 TIP3 5317 72.590 18.945 58.272 1.00 0.00 WT1 H ATOM 16432 OH2 TIP3 5318 79.511 11.670 -10.273 1.00 0.00 WT1 O ATOM 16433 H1 TIP3 5318 78.824 11.208 -10.754 1.00 0.00 WT1 H ATOM 16434 H2 TIP3 5318 79.534 11.242 -9.417 1.00 0.00 WT1 H ATOM 16435 OH2 TIP3 5319 40.607 91.221 54.859 1.00 0.00 WT1 O ATOM 16436 H1 TIP3 5319 40.928 90.943 55.717 1.00 0.00 WT1 H ATOM 16437 H2 TIP3 5319 40.524 90.408 54.360 1.00 0.00 WT1 H ATOM 16438 OH2 TIP3 5320 63.262 75.892 25.195 1.00 0.00 WT1 O ATOM 16439 H1 TIP3 5320 63.816 75.351 24.632 1.00 0.00 WT1 H ATOM 16440 H2 TIP3 5320 62.730 75.264 25.683 1.00 0.00 WT1 H ATOM 16441 OH2 TIP3 5322 45.780 96.640 2.669 1.00 0.00 WT1 O ATOM 16442 H1 TIP3 5322 45.486 96.059 3.371 1.00 0.00 WT1 H ATOM 16443 H2 TIP3 5322 45.595 97.522 2.994 1.00 0.00 WT1 H ATOM 16444 OH2 TIP3 5323 30.641 5.169 40.031 1.00 0.00 WT1 O ATOM 16445 H1 TIP3 5323 31.394 5.056 39.450 1.00 0.00 WT1 H ATOM 16446 H2 TIP3 5323 29.910 5.358 39.442 1.00 0.00 WT1 H ATOM 16447 OH2 TIP3 5325 38.137 23.921 27.446 1.00 0.00 WT1 O ATOM 16448 H1 TIP3 5325 38.268 24.422 28.251 1.00 0.00 WT1 H ATOM 16449 H2 TIP3 5325 38.420 24.512 26.748 1.00 0.00 WT1 H ATOM 16450 OH2 TIP3 5326 43.051 72.422 7.011 1.00 0.00 WT1 O ATOM 16451 H1 TIP3 5326 43.683 71.751 6.755 1.00 0.00 WT1 H ATOM 16452 H2 TIP3 5326 43.208 72.557 7.945 1.00 0.00 WT1 H ATOM 16453 OH2 TIP3 5327 81.521 23.952 2.105 1.00 0.00 WT1 O ATOM 16454 H1 TIP3 5327 81.342 24.276 2.988 1.00 0.00 WT1 H ATOM 16455 H2 TIP3 5327 81.384 24.711 1.539 1.00 0.00 WT1 H ATOM 16456 OH2 TIP3 5328 63.491 53.675 -10.171 1.00 0.00 WT1 O ATOM 16457 H1 TIP3 5328 63.480 54.068 -9.299 1.00 0.00 WT1 H ATOM 16458 H2 TIP3 5328 63.163 52.785 -10.038 1.00 0.00 WT1 H ATOM 16459 OH2 TIP3 5330 49.200 92.397 55.007 1.00 0.00 WT1 O ATOM 16460 H1 TIP3 5330 49.409 91.612 54.502 1.00 0.00 WT1 H ATOM 16461 H2 TIP3 5330 48.463 92.138 55.561 1.00 0.00 WT1 H ATOM 16462 OH2 TIP3 5331 40.562 79.030 -7.980 1.00 0.00 WT1 O ATOM 16463 H1 TIP3 5331 40.241 79.453 -7.183 1.00 0.00 WT1 H ATOM 16464 H2 TIP3 5331 41.342 79.529 -8.219 1.00 0.00 WT1 H ATOM 16465 OH2 TIP3 5333 43.840 24.614 59.111 1.00 0.00 WT1 O ATOM 16466 H1 TIP3 5333 43.442 25.484 59.139 1.00 0.00 WT1 H ATOM 16467 H2 TIP3 5333 44.173 24.530 58.218 1.00 0.00 WT1 H ATOM 16468 OH2 TIP3 5334 59.866 91.716 19.134 1.00 0.00 WT1 O ATOM 16469 H1 TIP3 5334 60.736 91.334 19.020 1.00 0.00 WT1 H ATOM 16470 H2 TIP3 5334 60.034 92.635 19.346 1.00 0.00 WT1 H ATOM 16471 OH2 TIP3 5335 48.110 69.978 61.907 1.00 0.00 WT1 O ATOM 16472 H1 TIP3 5335 48.490 69.428 61.222 1.00 0.00 WT1 H ATOM 16473 H2 TIP3 5335 47.678 69.361 62.498 1.00 0.00 WT1 H ATOM 16474 OH2 TIP3 5336 63.923 43.776 6.771 1.00 0.00 WT1 O ATOM 16475 H1 TIP3 5336 64.560 43.696 7.481 1.00 0.00 WT1 H ATOM 16476 H2 TIP3 5336 63.410 44.552 6.995 1.00 0.00 WT1 H ATOM 16477 OH2 TIP3 5338 50.971 8.417 50.837 1.00 0.00 WT1 O ATOM 16478 H1 TIP3 5338 50.427 7.739 50.437 1.00 0.00 WT1 H ATOM 16479 H2 TIP3 5338 51.534 7.943 51.449 1.00 0.00 WT1 H ATOM 16480 OH2 TIP3 5339 53.895 21.471 47.901 1.00 0.00 WT1 O ATOM 16481 H1 TIP3 5339 53.394 20.672 47.739 1.00 0.00 WT1 H ATOM 16482 H2 TIP3 5339 54.713 21.166 48.292 1.00 0.00 WT1 H ATOM 16483 OH2 TIP3 5340 82.312 36.174 64.268 1.00 0.00 WT1 O ATOM 16484 H1 TIP3 5340 81.631 36.841 64.355 1.00 0.00 WT1 H ATOM 16485 H2 TIP3 5340 82.747 36.383 63.441 1.00 0.00 WT1 H ATOM 16486 OH2 TIP3 5341 58.480 31.327 53.040 1.00 0.00 WT1 O ATOM 16487 H1 TIP3 5341 58.051 32.180 52.968 1.00 0.00 WT1 H ATOM 16488 H2 TIP3 5341 59.399 31.534 53.209 1.00 0.00 WT1 H ATOM 16489 OH2 TIP3 5342 35.324 17.514 60.338 1.00 0.00 WT1 O ATOM 16490 H1 TIP3 5342 34.464 17.911 60.199 1.00 0.00 WT1 H ATOM 16491 H2 TIP3 5342 35.782 17.636 59.507 1.00 0.00 WT1 H ATOM 16492 OH2 TIP3 5343 61.513 21.919 21.274 1.00 0.00 WT1 O ATOM 16493 H1 TIP3 5343 61.523 22.745 20.790 1.00 0.00 WT1 H ATOM 16494 H2 TIP3 5343 61.411 21.247 20.601 1.00 0.00 WT1 H ATOM 16495 OH2 TIP3 5344 49.384 87.762 12.963 1.00 0.00 WT1 O ATOM 16496 H1 TIP3 5344 50.330 87.849 12.847 1.00 0.00 WT1 H ATOM 16497 H2 TIP3 5344 49.270 86.903 13.371 1.00 0.00 WT1 H ATOM 16498 OH2 TIP3 5346 44.949 60.241 -15.927 1.00 0.00 WT1 O ATOM 16499 H1 TIP3 5346 45.018 59.544 -15.274 1.00 0.00 WT1 H ATOM 16500 H2 TIP3 5346 45.416 60.981 -15.539 1.00 0.00 WT1 H ATOM 16501 OH2 TIP3 5348 24.803 22.231 52.289 1.00 0.00 WT1 O ATOM 16502 H1 TIP3 5348 24.557 21.349 52.009 1.00 0.00 WT1 H ATOM 16503 H2 TIP3 5348 25.535 22.096 52.891 1.00 0.00 WT1 H ATOM 16504 OH2 TIP3 5349 75.973 36.251 28.586 1.00 0.00 WT1 O ATOM 16505 H1 TIP3 5349 76.541 36.944 28.923 1.00 0.00 WT1 H ATOM 16506 H2 TIP3 5349 76.453 35.441 28.761 1.00 0.00 WT1 H ATOM 16507 OH2 TIP3 5350 26.933 12.413 -6.123 1.00 0.00 WT1 O ATOM 16508 H1 TIP3 5350 27.703 12.958 -5.963 1.00 0.00 WT1 H ATOM 16509 H2 TIP3 5350 26.273 13.021 -6.455 1.00 0.00 WT1 H ATOM 16510 OH2 TIP3 5351 46.816 77.273 49.728 1.00 0.00 WT1 O ATOM 16511 H1 TIP3 5351 47.571 77.510 50.267 1.00 0.00 WT1 H ATOM 16512 H2 TIP3 5351 46.760 76.320 49.800 1.00 0.00 WT1 H ATOM 16513 OH2 TIP3 5352 82.287 66.123 40.065 1.00 0.00 WT1 O ATOM 16514 H1 TIP3 5352 83.029 66.582 40.460 1.00 0.00 WT1 H ATOM 16515 H2 TIP3 5352 81.516 66.544 40.446 1.00 0.00 WT1 H ATOM 16516 OH2 TIP3 5353 86.159 43.009 50.279 1.00 0.00 WT1 O ATOM 16517 H1 TIP3 5353 85.948 42.253 49.732 1.00 0.00 WT1 H ATOM 16518 H2 TIP3 5353 86.676 42.648 50.999 1.00 0.00 WT1 H ATOM 16519 OH2 TIP3 5354 59.550 0.924 17.379 1.00 0.00 WT1 O ATOM 16520 H1 TIP3 5354 58.720 0.457 17.475 1.00 0.00 WT1 H ATOM 16521 H2 TIP3 5354 59.527 1.598 18.057 1.00 0.00 WT1 H ATOM 16522 OH2 TIP3 5355 89.453 66.209 -8.274 1.00 0.00 WT1 O ATOM 16523 H1 TIP3 5355 90.206 66.798 -8.308 1.00 0.00 WT1 H ATOM 16524 H2 TIP3 5355 89.022 66.321 -9.121 1.00 0.00 WT1 H ATOM 16525 OH2 TIP3 5356 46.031 84.711 2.884 1.00 0.00 WT1 O ATOM 16526 H1 TIP3 5356 45.276 84.892 2.324 1.00 0.00 WT1 H ATOM 16527 H2 TIP3 5356 45.797 83.910 3.352 1.00 0.00 WT1 H ATOM 16528 OH2 TIP3 5357 65.265 26.573 -3.593 1.00 0.00 WT1 O ATOM 16529 H1 TIP3 5357 66.127 26.946 -3.776 1.00 0.00 WT1 H ATOM 16530 H2 TIP3 5357 64.990 26.186 -4.425 1.00 0.00 WT1 H ATOM 16531 OH2 TIP3 5358 31.268 88.244 -18.231 1.00 0.00 WT1 O ATOM 16532 H1 TIP3 5358 32.017 88.162 -18.820 1.00 0.00 WT1 H ATOM 16533 H2 TIP3 5358 30.858 89.074 -18.478 1.00 0.00 WT1 H ATOM 16534 OH2 TIP3 5359 52.740 24.693 7.189 1.00 0.00 WT1 O ATOM 16535 H1 TIP3 5359 52.527 25.170 7.992 1.00 0.00 WT1 H ATOM 16536 H2 TIP3 5359 53.484 24.141 7.428 1.00 0.00 WT1 H ATOM 16537 OH2 TIP3 5360 62.763 19.530 31.161 1.00 0.00 WT1 O ATOM 16538 H1 TIP3 5360 63.355 19.646 31.904 1.00 0.00 WT1 H ATOM 16539 H2 TIP3 5360 63.203 19.971 30.433 1.00 0.00 WT1 H ATOM 16540 OH2 TIP3 5361 56.866 58.200 12.373 1.00 0.00 WT1 O ATOM 16541 H1 TIP3 5361 56.871 57.599 13.118 1.00 0.00 WT1 H ATOM 16542 H2 TIP3 5361 56.076 58.726 12.494 1.00 0.00 WT1 H ATOM 16543 OH2 TIP3 5364 25.993 76.185 24.617 1.00 0.00 WT1 O ATOM 16544 H1 TIP3 5364 26.613 76.140 23.890 1.00 0.00 WT1 H ATOM 16545 H2 TIP3 5364 26.422 75.710 25.329 1.00 0.00 WT1 H ATOM 16546 OH2 TIP3 5365 81.247 18.250 -16.765 1.00 0.00 WT1 O ATOM 16547 H1 TIP3 5365 81.252 17.411 -16.304 1.00 0.00 WT1 H ATOM 16548 H2 TIP3 5365 81.845 18.804 -16.263 1.00 0.00 WT1 H ATOM 16549 OH2 TIP3 5366 28.044 88.321 -8.641 1.00 0.00 WT1 O ATOM 16550 H1 TIP3 5366 27.885 87.600 -9.250 1.00 0.00 WT1 H ATOM 16551 H2 TIP3 5366 27.857 89.110 -9.150 1.00 0.00 WT1 H ATOM 16552 OH2 TIP3 5368 62.554 13.453 30.218 1.00 0.00 WT1 O ATOM 16553 H1 TIP3 5368 62.805 14.358 30.402 1.00 0.00 WT1 H ATOM 16554 H2 TIP3 5368 61.650 13.514 29.909 1.00 0.00 WT1 H ATOM 16555 OH2 TIP3 5369 58.987 75.225 1.956 1.00 0.00 WT1 O ATOM 16556 H1 TIP3 5369 59.169 75.343 2.889 1.00 0.00 WT1 H ATOM 16557 H2 TIP3 5369 58.162 75.689 1.812 1.00 0.00 WT1 H ATOM 16558 OH2 TIP3 5370 35.971 22.193 24.633 1.00 0.00 WT1 O ATOM 16559 H1 TIP3 5370 36.786 22.274 24.139 1.00 0.00 WT1 H ATOM 16560 H2 TIP3 5370 35.319 22.645 24.097 1.00 0.00 WT1 H ATOM 16561 OH2 TIP3 5371 73.171 1.252 38.896 1.00 0.00 WT1 O ATOM 16562 H1 TIP3 5371 73.037 1.902 39.586 1.00 0.00 WT1 H ATOM 16563 H2 TIP3 5371 72.311 0.849 38.776 1.00 0.00 WT1 H ATOM 16564 OH2 TIP3 5372 74.631 91.777 43.703 1.00 0.00 WT1 O ATOM 16565 H1 TIP3 5372 75.003 91.532 44.550 1.00 0.00 WT1 H ATOM 16566 H2 TIP3 5372 74.232 92.634 43.855 1.00 0.00 WT1 H ATOM 16567 OH2 TIP3 5374 36.027 25.053 64.454 1.00 0.00 WT1 O ATOM 16568 H1 TIP3 5374 35.094 25.086 64.668 1.00 0.00 WT1 H ATOM 16569 H2 TIP3 5374 36.129 24.243 63.953 1.00 0.00 WT1 H ATOM 16570 OH2 TIP3 5375 41.942 11.708 -7.209 1.00 0.00 WT1 O ATOM 16571 H1 TIP3 5375 42.224 12.603 -7.398 1.00 0.00 WT1 H ATOM 16572 H2 TIP3 5375 41.928 11.657 -6.254 1.00 0.00 WT1 H ATOM 16573 OH2 TIP3 5376 62.729 29.401 53.285 1.00 0.00 WT1 O ATOM 16574 H1 TIP3 5376 61.824 29.490 52.986 1.00 0.00 WT1 H ATOM 16575 H2 TIP3 5376 63.251 29.801 52.589 1.00 0.00 WT1 H ATOM 16576 OH2 TIP3 5377 53.671 49.949 36.682 1.00 0.00 WT1 O ATOM 16577 H1 TIP3 5377 54.104 50.394 37.411 1.00 0.00 WT1 H ATOM 16578 H2 TIP3 5377 54.173 50.210 35.910 1.00 0.00 WT1 H ATOM 16579 OH2 TIP3 5378 79.406 88.350 63.788 1.00 0.00 WT1 O ATOM 16580 H1 TIP3 5378 79.678 88.059 64.658 1.00 0.00 WT1 H ATOM 16581 H2 TIP3 5378 79.438 87.559 63.250 1.00 0.00 WT1 H ATOM 16582 OH2 TIP3 5379 82.754 78.104 -11.641 1.00 0.00 WT1 O ATOM 16583 H1 TIP3 5379 83.550 78.473 -11.259 1.00 0.00 WT1 H ATOM 16584 H2 TIP3 5379 82.071 78.289 -10.997 1.00 0.00 WT1 H ATOM 16585 OH2 TIP3 5380 49.851 20.514 19.093 1.00 0.00 WT1 O ATOM 16586 H1 TIP3 5380 49.664 21.163 18.415 1.00 0.00 WT1 H ATOM 16587 H2 TIP3 5380 49.457 20.875 19.887 1.00 0.00 WT1 H ATOM 16588 OH2 TIP3 5381 50.328 34.360 14.760 1.00 0.00 WT1 O ATOM 16589 H1 TIP3 5381 50.501 33.702 14.087 1.00 0.00 WT1 H ATOM 16590 H2 TIP3 5381 49.453 34.146 15.085 1.00 0.00 WT1 H ATOM 16591 OH2 TIP3 5382 33.452 28.403 4.581 1.00 0.00 WT1 O ATOM 16592 H1 TIP3 5382 32.510 28.250 4.501 1.00 0.00 WT1 H ATOM 16593 H2 TIP3 5382 33.847 27.541 4.456 1.00 0.00 WT1 H ATOM 16594 OH2 TIP3 5383 73.226 2.001 -0.132 1.00 0.00 WT1 O ATOM 16595 H1 TIP3 5383 72.721 2.568 -0.715 1.00 0.00 WT1 H ATOM 16596 H2 TIP3 5383 72.692 1.935 0.660 1.00 0.00 WT1 H ATOM 16597 OH2 TIP3 5384 88.675 42.486 -17.042 1.00 0.00 WT1 O ATOM 16598 H1 TIP3 5384 88.600 42.889 -16.177 1.00 0.00 WT1 H ATOM 16599 H2 TIP3 5384 88.356 41.592 -16.917 1.00 0.00 WT1 H ATOM 16600 OH2 TIP3 5385 35.484 85.215 22.038 1.00 0.00 WT1 O ATOM 16601 H1 TIP3 5385 34.585 85.104 22.346 1.00 0.00 WT1 H ATOM 16602 H2 TIP3 5385 35.405 85.285 21.086 1.00 0.00 WT1 H ATOM 16603 OH2 TIP3 5388 52.210 93.932 47.745 1.00 0.00 WT1 O ATOM 16604 H1 TIP3 5388 52.813 93.682 47.045 1.00 0.00 WT1 H ATOM 16605 H2 TIP3 5388 52.574 94.744 48.097 1.00 0.00 WT1 H ATOM 16606 OH2 TIP3 5389 69.136 29.327 55.634 1.00 0.00 WT1 O ATOM 16607 H1 TIP3 5389 68.260 28.974 55.789 1.00 0.00 WT1 H ATOM 16608 H2 TIP3 5389 69.467 28.828 54.887 1.00 0.00 WT1 H ATOM 16609 OH2 TIP3 5390 74.723 28.713 -1.554 1.00 0.00 WT1 O ATOM 16610 H1 TIP3 5390 74.183 28.766 -0.765 1.00 0.00 WT1 H ATOM 16611 H2 TIP3 5390 74.673 29.588 -1.939 1.00 0.00 WT1 H ATOM 16612 OH2 TIP3 5392 27.771 57.918 27.950 1.00 0.00 WT1 O ATOM 16613 H1 TIP3 5392 28.120 58.504 28.622 1.00 0.00 WT1 H ATOM 16614 H2 TIP3 5392 28.015 58.330 27.121 1.00 0.00 WT1 H ATOM 16615 OH2 TIP3 5393 90.287 36.807 62.047 1.00 0.00 WT1 O ATOM 16616 H1 TIP3 5393 91.078 37.251 62.351 1.00 0.00 WT1 H ATOM 16617 H2 TIP3 5393 90.595 36.200 61.374 1.00 0.00 WT1 H ATOM 16618 OH2 TIP3 5394 34.738 29.599 9.628 1.00 0.00 WT1 O ATOM 16619 H1 TIP3 5394 35.016 29.614 10.544 1.00 0.00 WT1 H ATOM 16620 H2 TIP3 5394 35.324 30.217 9.190 1.00 0.00 WT1 H ATOM 16621 OH2 TIP3 5395 34.142 47.239 52.678 1.00 0.00 WT1 O ATOM 16622 H1 TIP3 5395 34.999 47.665 52.680 1.00 0.00 WT1 H ATOM 16623 H2 TIP3 5395 33.627 47.740 52.046 1.00 0.00 WT1 H ATOM 16624 OH2 TIP3 5396 51.346 76.281 28.910 1.00 0.00 WT1 O ATOM 16625 H1 TIP3 5396 50.669 76.382 29.580 1.00 0.00 WT1 H ATOM 16626 H2 TIP3 5396 51.155 75.437 28.501 1.00 0.00 WT1 H ATOM 16627 OH2 TIP3 5397 28.302 79.868 35.352 1.00 0.00 WT1 O ATOM 16628 H1 TIP3 5397 28.628 78.973 35.448 1.00 0.00 WT1 H ATOM 16629 H2 TIP3 5397 29.049 80.421 35.583 1.00 0.00 WT1 H ATOM 16630 OH2 TIP3 5398 25.299 53.369 17.838 1.00 0.00 WT1 O ATOM 16631 H1 TIP3 5398 26.193 53.419 18.176 1.00 0.00 WT1 H ATOM 16632 H2 TIP3 5398 25.235 54.097 17.219 1.00 0.00 WT1 H ATOM 16633 OH2 TIP3 5399 46.052 94.805 -1.601 1.00 0.00 WT1 O ATOM 16634 H1 TIP3 5399 45.296 94.239 -1.760 1.00 0.00 WT1 H ATOM 16635 H2 TIP3 5399 46.804 94.287 -1.887 1.00 0.00 WT1 H ATOM 16636 OH2 TIP3 5400 30.501 28.439 5.504 1.00 0.00 WT1 O ATOM 16637 H1 TIP3 5400 30.459 29.387 5.627 1.00 0.00 WT1 H ATOM 16638 H2 TIP3 5400 30.710 28.093 6.372 1.00 0.00 WT1 H ATOM 16639 OH2 TIP3 5402 30.287 1.811 -9.636 1.00 0.00 WT1 O ATOM 16640 H1 TIP3 5402 30.006 1.301 -10.395 1.00 0.00 WT1 H ATOM 16641 H2 TIP3 5402 29.825 1.416 -8.897 1.00 0.00 WT1 H ATOM 16642 OH2 TIP3 5403 36.389 23.866 12.494 1.00 0.00 WT1 O ATOM 16643 H1 TIP3 5403 36.052 24.733 12.266 1.00 0.00 WT1 H ATOM 16644 H2 TIP3 5403 37.282 24.028 12.797 1.00 0.00 WT1 H ATOM 16645 OH2 TIP3 5404 20.390 23.237 -15.679 1.00 0.00 WT1 O ATOM 16646 H1 TIP3 5404 19.759 23.948 -15.568 1.00 0.00 WT1 H ATOM 16647 H2 TIP3 5404 20.661 23.298 -16.595 1.00 0.00 WT1 H ATOM 16648 OH2 TIP3 5406 74.598 33.065 39.849 1.00 0.00 WT1 O ATOM 16649 H1 TIP3 5406 73.902 32.436 40.040 1.00 0.00 WT1 H ATOM 16650 H2 TIP3 5406 74.683 33.047 38.896 1.00 0.00 WT1 H ATOM 16651 OH2 TIP3 5408 58.915 8.750 -14.333 1.00 0.00 WT1 O ATOM 16652 H1 TIP3 5408 59.377 7.912 -14.341 1.00 0.00 WT1 H ATOM 16653 H2 TIP3 5408 59.610 9.407 -14.349 1.00 0.00 WT1 H ATOM 16654 OH2 TIP3 5410 87.568 73.043 44.694 1.00 0.00 WT1 O ATOM 16655 H1 TIP3 5410 87.162 72.769 45.516 1.00 0.00 WT1 H ATOM 16656 H2 TIP3 5410 88.092 72.290 44.421 1.00 0.00 WT1 H ATOM 16657 OH2 TIP3 5411 21.516 84.432 22.484 1.00 0.00 WT1 O ATOM 16658 H1 TIP3 5411 20.755 83.942 22.795 1.00 0.00 WT1 H ATOM 16659 H2 TIP3 5411 22.032 84.602 23.272 1.00 0.00 WT1 H ATOM 16660 OH2 TIP3 5412 72.781 58.464 20.812 1.00 0.00 WT1 O ATOM 16661 H1 TIP3 5412 73.141 58.327 19.936 1.00 0.00 WT1 H ATOM 16662 H2 TIP3 5412 72.306 59.293 20.750 1.00 0.00 WT1 H ATOM 16663 OH2 TIP3 5413 89.139 2.703 37.139 1.00 0.00 WT1 O ATOM 16664 H1 TIP3 5413 88.462 2.321 36.581 1.00 0.00 WT1 H ATOM 16665 H2 TIP3 5413 89.518 3.405 36.610 1.00 0.00 WT1 H ATOM 16666 OH2 TIP3 5414 28.151 26.816 46.313 1.00 0.00 WT1 O ATOM 16667 H1 TIP3 5414 27.770 27.101 45.482 1.00 0.00 WT1 H ATOM 16668 H2 TIP3 5414 27.532 26.170 46.652 1.00 0.00 WT1 H ATOM 16669 OH2 TIP3 5415 31.950 51.837 -2.128 1.00 0.00 WT1 O ATOM 16670 H1 TIP3 5415 31.888 52.437 -1.385 1.00 0.00 WT1 H ATOM 16671 H2 TIP3 5415 32.628 51.211 -1.876 1.00 0.00 WT1 H ATOM 16672 OH2 TIP3 5416 81.281 31.292 61.339 1.00 0.00 WT1 O ATOM 16673 H1 TIP3 5416 80.556 31.817 61.002 1.00 0.00 WT1 H ATOM 16674 H2 TIP3 5416 81.998 31.451 60.725 1.00 0.00 WT1 H ATOM 16675 OH2 TIP3 5417 68.478 87.113 49.344 1.00 0.00 WT1 O ATOM 16676 H1 TIP3 5417 67.895 86.436 49.001 1.00 0.00 WT1 H ATOM 16677 H2 TIP3 5417 68.132 87.931 48.986 1.00 0.00 WT1 H ATOM 16678 OH2 TIP3 5418 57.796 42.832 -0.604 1.00 0.00 WT1 O ATOM 16679 H1 TIP3 5418 58.065 43.664 -0.215 1.00 0.00 WT1 H ATOM 16680 H2 TIP3 5418 57.440 43.072 -1.460 1.00 0.00 WT1 H ATOM 16681 OH2 TIP3 5419 75.959 35.121 49.788 1.00 0.00 WT1 O ATOM 16682 H1 TIP3 5419 75.059 34.879 50.006 1.00 0.00 WT1 H ATOM 16683 H2 TIP3 5419 76.346 34.317 49.442 1.00 0.00 WT1 H ATOM 16684 OH2 TIP3 5420 70.337 37.793 11.795 1.00 0.00 WT1 O ATOM 16685 H1 TIP3 5420 70.267 37.306 10.974 1.00 0.00 WT1 H ATOM 16686 H2 TIP3 5420 69.440 38.063 11.991 1.00 0.00 WT1 H ATOM 16687 OH2 TIP3 5421 89.596 30.605 37.519 1.00 0.00 WT1 O ATOM 16688 H1 TIP3 5421 89.179 29.755 37.380 1.00 0.00 WT1 H ATOM 16689 H2 TIP3 5421 90.525 30.446 37.350 1.00 0.00 WT1 H ATOM 16690 OH2 TIP3 5422 36.278 74.888 -7.286 1.00 0.00 WT1 O ATOM 16691 H1 TIP3 5422 37.046 75.457 -7.341 1.00 0.00 WT1 H ATOM 16692 H2 TIP3 5422 36.637 74.015 -7.125 1.00 0.00 WT1 H ATOM 16693 OH2 TIP3 5424 32.127 95.029 0.864 1.00 0.00 WT1 O ATOM 16694 H1 TIP3 5424 31.791 94.147 1.025 1.00 0.00 WT1 H ATOM 16695 H2 TIP3 5424 33.058 94.901 0.682 1.00 0.00 WT1 H ATOM 16696 OH2 TIP3 5425 89.687 35.050 6.882 1.00 0.00 WT1 O ATOM 16697 H1 TIP3 5425 89.655 35.942 7.225 1.00 0.00 WT1 H ATOM 16698 H2 TIP3 5425 90.519 35.003 6.411 1.00 0.00 WT1 H ATOM 16699 OH2 TIP3 5426 66.519 71.903 -0.105 1.00 0.00 WT1 O ATOM 16700 H1 TIP3 5426 66.034 72.619 -0.515 1.00 0.00 WT1 H ATOM 16701 H2 TIP3 5426 66.367 71.152 -0.678 1.00 0.00 WT1 H ATOM 16702 OH2 TIP3 5427 24.601 41.102 -9.669 1.00 0.00 WT1 O ATOM 16703 H1 TIP3 5427 25.157 41.503 -10.337 1.00 0.00 WT1 H ATOM 16704 H2 TIP3 5427 24.072 41.825 -9.332 1.00 0.00 WT1 H ATOM 16705 OH2 TIP3 5428 74.279 11.910 -11.999 1.00 0.00 WT1 O ATOM 16706 H1 TIP3 5428 73.347 11.999 -11.802 1.00 0.00 WT1 H ATOM 16707 H2 TIP3 5428 74.304 11.449 -12.837 1.00 0.00 WT1 H ATOM 16708 OH2 TIP3 5429 54.756 46.944 34.043 1.00 0.00 WT1 O ATOM 16709 H1 TIP3 5429 54.652 46.041 34.343 1.00 0.00 WT1 H ATOM 16710 H2 TIP3 5429 55.466 46.904 33.402 1.00 0.00 WT1 H ATOM 16711 OH2 TIP3 5430 90.151 89.713 -4.438 1.00 0.00 WT1 O ATOM 16712 H1 TIP3 5430 89.756 90.112 -3.663 1.00 0.00 WT1 H ATOM 16713 H2 TIP3 5430 89.437 89.223 -4.846 1.00 0.00 WT1 H ATOM 16714 OH2 TIP3 5431 82.882 36.169 17.925 1.00 0.00 WT1 O ATOM 16715 H1 TIP3 5431 82.135 36.111 17.329 1.00 0.00 WT1 H ATOM 16716 H2 TIP3 5431 83.606 35.771 17.441 1.00 0.00 WT1 H ATOM 16717 OH2 TIP3 5432 51.913 81.384 59.780 1.00 0.00 WT1 O ATOM 16718 H1 TIP3 5432 51.483 81.822 60.515 1.00 0.00 WT1 H ATOM 16719 H2 TIP3 5432 52.848 81.516 59.936 1.00 0.00 WT1 H ATOM 16720 OH2 TIP3 5433 37.605 33.789 13.961 1.00 0.00 WT1 O ATOM 16721 H1 TIP3 5433 37.912 33.581 14.844 1.00 0.00 WT1 H ATOM 16722 H2 TIP3 5433 36.984 34.507 14.086 1.00 0.00 WT1 H ATOM 16723 OH2 TIP3 5434 57.583 4.856 38.604 1.00 0.00 WT1 O ATOM 16724 H1 TIP3 5434 57.959 4.822 37.724 1.00 0.00 WT1 H ATOM 16725 H2 TIP3 5434 56.850 4.242 38.575 1.00 0.00 WT1 H ATOM 16726 OH2 TIP3 5435 52.546 20.880 36.883 1.00 0.00 WT1 O ATOM 16727 H1 TIP3 5435 52.772 20.156 36.299 1.00 0.00 WT1 H ATOM 16728 H2 TIP3 5435 51.859 20.526 37.449 1.00 0.00 WT1 H ATOM 16729 OH2 TIP3 5436 30.954 74.986 61.064 1.00 0.00 WT1 O ATOM 16730 H1 TIP3 5436 30.707 74.216 61.576 1.00 0.00 WT1 H ATOM 16731 H2 TIP3 5436 31.772 74.737 60.634 1.00 0.00 WT1 H ATOM 16732 OH2 TIP3 5437 54.159 41.458 63.483 1.00 0.00 WT1 O ATOM 16733 H1 TIP3 5437 53.976 42.324 63.117 1.00 0.00 WT1 H ATOM 16734 H2 TIP3 5437 54.864 41.609 64.113 1.00 0.00 WT1 H ATOM 16735 OH2 TIP3 5438 32.476 27.557 63.276 1.00 0.00 WT1 O ATOM 16736 H1 TIP3 5438 32.402 26.841 63.907 1.00 0.00 WT1 H ATOM 16737 H2 TIP3 5438 33.311 27.402 62.834 1.00 0.00 WT1 H ATOM 16738 OH2 TIP3 5439 69.990 45.437 32.523 1.00 0.00 WT1 O ATOM 16739 H1 TIP3 5439 69.212 45.599 33.057 1.00 0.00 WT1 H ATOM 16740 H2 TIP3 5439 69.806 44.610 32.077 1.00 0.00 WT1 H ATOM 16741 OH2 TIP3 5440 78.091 18.927 -3.308 1.00 0.00 WT1 O ATOM 16742 H1 TIP3 5440 78.298 19.848 -3.151 1.00 0.00 WT1 H ATOM 16743 H2 TIP3 5440 78.614 18.450 -2.665 1.00 0.00 WT1 H ATOM 16744 OH2 TIP3 5441 60.558 19.826 56.840 1.00 0.00 WT1 O ATOM 16745 H1 TIP3 5441 61.442 20.011 56.525 1.00 0.00 WT1 H ATOM 16746 H2 TIP3 5441 60.105 20.669 56.792 1.00 0.00 WT1 H ATOM 16747 OH2 TIP3 5442 56.741 84.821 8.433 1.00 0.00 WT1 O ATOM 16748 H1 TIP3 5442 57.530 84.426 8.061 1.00 0.00 WT1 H ATOM 16749 H2 TIP3 5442 56.959 84.971 9.353 1.00 0.00 WT1 H ATOM 16750 OH2 TIP3 5444 87.971 1.293 -15.025 1.00 0.00 WT1 O ATOM 16751 H1 TIP3 5444 87.163 1.801 -14.956 1.00 0.00 WT1 H ATOM 16752 H2 TIP3 5444 88.094 1.163 -15.965 1.00 0.00 WT1 H ATOM 16753 OH2 TIP3 5445 26.960 36.620 15.661 1.00 0.00 WT1 O ATOM 16754 H1 TIP3 5445 26.726 35.739 15.369 1.00 0.00 WT1 H ATOM 16755 H2 TIP3 5445 27.476 36.982 14.940 1.00 0.00 WT1 H ATOM 16756 OH2 TIP3 5446 48.303 18.750 -12.681 1.00 0.00 WT1 O ATOM 16757 H1 TIP3 5446 47.449 18.995 -13.037 1.00 0.00 WT1 H ATOM 16758 H2 TIP3 5446 48.351 17.802 -12.803 1.00 0.00 WT1 H ATOM 16759 OH2 TIP3 5447 68.126 81.470 57.953 1.00 0.00 WT1 O ATOM 16760 H1 TIP3 5447 68.765 81.590 58.656 1.00 0.00 WT1 H ATOM 16761 H2 TIP3 5447 67.334 81.901 58.272 1.00 0.00 WT1 H ATOM 16762 OH2 TIP3 5448 21.304 16.140 -5.734 1.00 0.00 WT1 O ATOM 16763 H1 TIP3 5448 20.977 16.250 -4.842 1.00 0.00 WT1 H ATOM 16764 H2 TIP3 5448 22.126 16.630 -5.751 1.00 0.00 WT1 H ATOM 16765 OH2 TIP3 5449 23.592 22.700 46.467 1.00 0.00 WT1 O ATOM 16766 H1 TIP3 5449 24.482 23.029 46.594 1.00 0.00 WT1 H ATOM 16767 H2 TIP3 5449 23.382 22.922 45.560 1.00 0.00 WT1 H ATOM 16768 OH2 TIP3 5450 21.001 49.597 24.525 1.00 0.00 WT1 O ATOM 16769 H1 TIP3 5450 20.106 49.341 24.301 1.00 0.00 WT1 H ATOM 16770 H2 TIP3 5450 21.173 50.368 23.985 1.00 0.00 WT1 H ATOM 16771 OH2 TIP3 5451 79.599 30.843 -6.681 1.00 0.00 WT1 O ATOM 16772 H1 TIP3 5451 79.174 30.044 -6.993 1.00 0.00 WT1 H ATOM 16773 H2 TIP3 5451 80.448 30.549 -6.349 1.00 0.00 WT1 H ATOM 16774 OH2 TIP3 5452 90.861 29.692 55.228 1.00 0.00 WT1 O ATOM 16775 H1 TIP3 5452 90.202 30.365 55.396 1.00 0.00 WT1 H ATOM 16776 H2 TIP3 5452 90.378 28.983 54.804 1.00 0.00 WT1 H ATOM 16777 OH2 TIP3 5454 58.887 33.702 1.356 1.00 0.00 WT1 O ATOM 16778 H1 TIP3 5454 59.325 34.409 1.831 1.00 0.00 WT1 H ATOM 16779 H2 TIP3 5454 58.538 34.121 0.570 1.00 0.00 WT1 H ATOM 16780 OH2 TIP3 5456 74.492 66.834 47.665 1.00 0.00 WT1 O ATOM 16781 H1 TIP3 5456 74.355 67.729 47.976 1.00 0.00 WT1 H ATOM 16782 H2 TIP3 5456 75.347 66.858 47.234 1.00 0.00 WT1 H ATOM 16783 OH2 TIP3 5458 87.130 75.684 -11.937 1.00 0.00 WT1 O ATOM 16784 H1 TIP3 5458 88.086 75.708 -11.976 1.00 0.00 WT1 H ATOM 16785 H2 TIP3 5458 86.898 74.814 -12.261 1.00 0.00 WT1 H ATOM 16786 OH2 TIP3 5459 35.232 11.650 12.683 1.00 0.00 WT1 O ATOM 16787 H1 TIP3 5459 35.001 11.188 13.489 1.00 0.00 WT1 H ATOM 16788 H2 TIP3 5459 35.964 12.214 12.932 1.00 0.00 WT1 H ATOM 16789 OH2 TIP3 5460 39.804 29.738 5.483 1.00 0.00 WT1 O ATOM 16790 H1 TIP3 5460 40.087 29.595 6.386 1.00 0.00 WT1 H ATOM 16791 H2 TIP3 5460 40.589 30.049 5.032 1.00 0.00 WT1 H ATOM 16792 OH2 TIP3 5461 83.968 20.970 66.009 1.00 0.00 WT1 O ATOM 16793 H1 TIP3 5461 84.339 21.716 66.480 1.00 0.00 WT1 H ATOM 16794 H2 TIP3 5461 84.659 20.700 65.405 1.00 0.00 WT1 H ATOM 16795 OH2 TIP3 5462 60.740 3.740 -10.719 1.00 0.00 WT1 O ATOM 16796 H1 TIP3 5462 60.196 3.788 -9.933 1.00 0.00 WT1 H ATOM 16797 H2 TIP3 5462 60.119 3.585 -11.432 1.00 0.00 WT1 H ATOM 16798 OH2 TIP3 5463 84.144 7.909 -11.744 1.00 0.00 WT1 O ATOM 16799 H1 TIP3 5463 83.978 8.406 -10.944 1.00 0.00 WT1 H ATOM 16800 H2 TIP3 5463 84.863 7.320 -11.516 1.00 0.00 WT1 H ATOM 16801 OH2 TIP3 5464 35.938 57.766 -18.318 1.00 0.00 WT1 O ATOM 16802 H1 TIP3 5464 36.865 57.711 -18.550 1.00 0.00 WT1 H ATOM 16803 H2 TIP3 5464 35.928 57.728 -17.362 1.00 0.00 WT1 H ATOM 16804 OH2 TIP3 5465 46.463 57.999 5.421 1.00 0.00 WT1 O ATOM 16805 H1 TIP3 5465 47.294 57.564 5.607 1.00 0.00 WT1 H ATOM 16806 H2 TIP3 5465 46.491 58.802 5.942 1.00 0.00 WT1 H ATOM 16807 OH2 TIP3 5466 37.088 37.089 15.422 1.00 0.00 WT1 O ATOM 16808 H1 TIP3 5466 37.775 36.437 15.284 1.00 0.00 WT1 H ATOM 16809 H2 TIP3 5466 37.560 37.894 15.636 1.00 0.00 WT1 H ATOM 16810 OH2 TIP3 5467 91.117 37.246 14.665 1.00 0.00 WT1 O ATOM 16811 H1 TIP3 5467 90.399 37.164 14.037 1.00 0.00 WT1 H ATOM 16812 H2 TIP3 5467 90.687 37.257 15.520 1.00 0.00 WT1 H ATOM 16813 OH2 TIP3 5468 25.500 15.503 41.421 1.00 0.00 WT1 O ATOM 16814 H1 TIP3 5468 25.812 15.574 40.519 1.00 0.00 WT1 H ATOM 16815 H2 TIP3 5468 25.978 14.756 41.781 1.00 0.00 WT1 H ATOM 16816 OH2 TIP3 5469 80.212 13.835 -16.907 1.00 0.00 WT1 O ATOM 16817 H1 TIP3 5469 80.080 13.145 -16.257 1.00 0.00 WT1 H ATOM 16818 H2 TIP3 5469 79.724 14.584 -16.564 1.00 0.00 WT1 H ATOM 16819 OH2 TIP3 5471 70.271 35.860 39.153 1.00 0.00 WT1 O ATOM 16820 H1 TIP3 5471 69.430 36.317 39.128 1.00 0.00 WT1 H ATOM 16821 H2 TIP3 5471 70.273 35.319 38.364 1.00 0.00 WT1 H ATOM 16822 OH2 TIP3 5474 68.263 83.347 43.596 1.00 0.00 WT1 O ATOM 16823 H1 TIP3 5474 69.192 83.114 43.599 1.00 0.00 WT1 H ATOM 16824 H2 TIP3 5474 67.997 83.260 42.681 1.00 0.00 WT1 H ATOM 16825 OH2 TIP3 5476 65.785 69.122 13.304 1.00 0.00 WT1 O ATOM 16826 H1 TIP3 5476 66.660 68.754 13.183 1.00 0.00 WT1 H ATOM 16827 H2 TIP3 5476 65.204 68.361 13.320 1.00 0.00 WT1 H ATOM 16828 OH2 TIP3 5477 87.654 46.324 20.010 1.00 0.00 WT1 O ATOM 16829 H1 TIP3 5477 87.143 46.973 19.526 1.00 0.00 WT1 H ATOM 16830 H2 TIP3 5477 87.042 45.606 20.169 1.00 0.00 WT1 H ATOM 16831 OH2 TIP3 5478 38.494 3.522 60.381 1.00 0.00 WT1 O ATOM 16832 H1 TIP3 5478 37.958 3.149 59.681 1.00 0.00 WT1 H ATOM 16833 H2 TIP3 5478 39.126 4.081 59.927 1.00 0.00 WT1 H ATOM 16834 OH2 TIP3 5479 65.185 95.727 56.295 1.00 0.00 WT1 O ATOM 16835 H1 TIP3 5479 65.735 96.187 55.661 1.00 0.00 WT1 H ATOM 16836 H2 TIP3 5479 65.617 94.882 56.419 1.00 0.00 WT1 H ATOM 16837 OH2 TIP3 5480 74.785 81.443 62.950 1.00 0.00 WT1 O ATOM 16838 H1 TIP3 5480 74.614 81.891 62.121 1.00 0.00 WT1 H ATOM 16839 H2 TIP3 5480 74.320 80.610 62.873 1.00 0.00 WT1 H ATOM 16840 OH2 TIP3 5481 76.973 87.611 27.060 1.00 0.00 WT1 O ATOM 16841 H1 TIP3 5481 76.390 88.369 27.111 1.00 0.00 WT1 H ATOM 16842 H2 TIP3 5481 77.429 87.602 27.901 1.00 0.00 WT1 H ATOM 16843 OH2 TIP3 5482 80.294 67.535 67.281 1.00 0.00 WT1 O ATOM 16844 H1 TIP3 5482 80.655 66.655 67.389 1.00 0.00 WT1 H ATOM 16845 H2 TIP3 5482 79.433 67.395 66.885 1.00 0.00 WT1 H ATOM 16846 OH2 TIP3 5483 72.407 31.662 6.484 1.00 0.00 WT1 O ATOM 16847 H1 TIP3 5483 71.633 32.205 6.634 1.00 0.00 WT1 H ATOM 16848 H2 TIP3 5483 72.488 31.136 7.279 1.00 0.00 WT1 H ATOM 16849 OH2 TIP3 5484 52.391 94.369 64.014 1.00 0.00 WT1 O ATOM 16850 H1 TIP3 5484 51.660 94.985 64.047 1.00 0.00 WT1 H ATOM 16851 H2 TIP3 5484 52.174 93.703 64.667 1.00 0.00 WT1 H ATOM 16852 OH2 TIP3 5485 63.904 26.087 16.928 1.00 0.00 WT1 O ATOM 16853 H1 TIP3 5485 64.554 26.566 16.414 1.00 0.00 WT1 H ATOM 16854 H2 TIP3 5485 64.004 26.427 17.818 1.00 0.00 WT1 H ATOM 16855 OH2 TIP3 5486 78.728 31.098 14.010 1.00 0.00 WT1 O ATOM 16856 H1 TIP3 5486 78.855 31.852 13.434 1.00 0.00 WT1 H ATOM 16857 H2 TIP3 5486 78.128 30.527 13.530 1.00 0.00 WT1 H ATOM 16858 OH2 TIP3 5487 66.601 41.820 -19.329 1.00 0.00 WT1 O ATOM 16859 H1 TIP3 5487 67.140 42.488 -18.905 1.00 0.00 WT1 H ATOM 16860 H2 TIP3 5487 67.230 41.180 -19.662 1.00 0.00 WT1 H ATOM 16861 OH2 TIP3 5488 89.043 34.117 12.728 1.00 0.00 WT1 O ATOM 16862 H1 TIP3 5488 88.239 33.653 12.961 1.00 0.00 WT1 H ATOM 16863 H2 TIP3 5488 89.676 33.423 12.544 1.00 0.00 WT1 H ATOM 16864 OH2 TIP3 5489 71.112 29.693 22.293 1.00 0.00 WT1 O ATOM 16865 H1 TIP3 5489 71.248 30.601 22.561 1.00 0.00 WT1 H ATOM 16866 H2 TIP3 5489 70.876 29.749 21.367 1.00 0.00 WT1 H ATOM 16867 OH2 TIP3 5491 81.348 58.115 47.497 1.00 0.00 WT1 O ATOM 16868 H1 TIP3 5491 80.700 57.573 47.946 1.00 0.00 WT1 H ATOM 16869 H2 TIP3 5491 80.843 58.607 46.851 1.00 0.00 WT1 H ATOM 16870 OH2 TIP3 5492 83.298 94.016 28.818 1.00 0.00 WT1 O ATOM 16871 H1 TIP3 5492 83.020 93.233 28.343 1.00 0.00 WT1 H ATOM 16872 H2 TIP3 5492 84.221 94.122 28.586 1.00 0.00 WT1 H ATOM 16873 OH2 TIP3 5493 52.455 38.388 -5.206 1.00 0.00 WT1 O ATOM 16874 H1 TIP3 5493 52.881 37.945 -5.940 1.00 0.00 WT1 H ATOM 16875 H2 TIP3 5493 52.333 39.288 -5.508 1.00 0.00 WT1 H ATOM 16876 OH2 TIP3 5494 79.561 63.586 54.610 1.00 0.00 WT1 O ATOM 16877 H1 TIP3 5494 78.789 63.453 54.059 1.00 0.00 WT1 H ATOM 16878 H2 TIP3 5494 79.645 62.772 55.106 1.00 0.00 WT1 H ATOM 16879 OH2 TIP3 5495 63.495 49.055 36.924 1.00 0.00 WT1 O ATOM 16880 H1 TIP3 5495 63.831 48.884 36.045 1.00 0.00 WT1 H ATOM 16881 H2 TIP3 5495 62.808 49.709 36.796 1.00 0.00 WT1 H ATOM 16882 OH2 TIP3 5496 53.672 92.824 -1.301 1.00 0.00 WT1 O ATOM 16883 H1 TIP3 5496 53.363 91.936 -1.121 1.00 0.00 WT1 H ATOM 16884 H2 TIP3 5496 53.641 92.899 -2.255 1.00 0.00 WT1 H ATOM 16885 OH2 TIP3 5497 72.192 85.994 5.517 1.00 0.00 WT1 O ATOM 16886 H1 TIP3 5497 71.294 86.324 5.480 1.00 0.00 WT1 H ATOM 16887 H2 TIP3 5497 72.101 85.044 5.445 1.00 0.00 WT1 H ATOM 16888 OH2 TIP3 5498 39.308 85.709 3.333 1.00 0.00 WT1 O ATOM 16889 H1 TIP3 5498 39.057 85.213 4.113 1.00 0.00 WT1 H ATOM 16890 H2 TIP3 5498 38.762 86.494 3.361 1.00 0.00 WT1 H ATOM 16891 OH2 TIP3 5500 37.315 44.704 55.860 1.00 0.00 WT1 O ATOM 16892 H1 TIP3 5500 37.047 44.822 54.949 1.00 0.00 WT1 H ATOM 16893 H2 TIP3 5500 37.040 45.509 56.298 1.00 0.00 WT1 H ATOM 16894 OH2 TIP3 5503 76.413 77.183 53.495 1.00 0.00 WT1 O ATOM 16895 H1 TIP3 5503 75.627 77.727 53.554 1.00 0.00 WT1 H ATOM 16896 H2 TIP3 5503 76.199 76.521 52.838 1.00 0.00 WT1 H ATOM 16897 OH2 TIP3 5504 62.176 27.754 15.673 1.00 0.00 WT1 O ATOM 16898 H1 TIP3 5504 62.929 27.165 15.622 1.00 0.00 WT1 H ATOM 16899 H2 TIP3 5504 61.602 27.354 16.326 1.00 0.00 WT1 H ATOM 16900 OH2 TIP3 5505 89.194 44.119 -1.853 1.00 0.00 WT1 O ATOM 16901 H1 TIP3 5505 89.136 43.785 -2.748 1.00 0.00 WT1 H ATOM 16902 H2 TIP3 5505 88.330 44.492 -1.679 1.00 0.00 WT1 H ATOM 16903 OH2 TIP3 5506 50.002 10.389 -2.223 1.00 0.00 WT1 O ATOM 16904 H1 TIP3 5506 49.570 9.568 -1.983 1.00 0.00 WT1 H ATOM 16905 H2 TIP3 5506 49.326 11.057 -2.108 1.00 0.00 WT1 H ATOM 16906 OH2 TIP3 5507 32.314 36.318 26.129 1.00 0.00 WT1 O ATOM 16907 H1 TIP3 5507 33.234 36.057 26.164 1.00 0.00 WT1 H ATOM 16908 H2 TIP3 5507 31.873 35.587 25.697 1.00 0.00 WT1 H ATOM 16909 OH2 TIP3 5510 20.383 83.596 -10.637 1.00 0.00 WT1 O ATOM 16910 H1 TIP3 5510 20.847 82.804 -10.910 1.00 0.00 WT1 H ATOM 16911 H2 TIP3 5510 20.856 83.896 -9.861 1.00 0.00 WT1 H ATOM 16912 OH2 TIP3 5511 62.130 16.866 4.827 1.00 0.00 WT1 O ATOM 16913 H1 TIP3 5511 61.325 17.254 4.483 1.00 0.00 WT1 H ATOM 16914 H2 TIP3 5511 61.916 16.632 5.730 1.00 0.00 WT1 H ATOM 16915 OH2 TIP3 5512 42.849 34.873 44.017 1.00 0.00 WT1 O ATOM 16916 H1 TIP3 5512 42.530 35.751 44.225 1.00 0.00 WT1 H ATOM 16917 H2 TIP3 5512 43.707 34.823 44.439 1.00 0.00 WT1 H ATOM 16918 OH2 TIP3 5513 80.093 18.821 38.866 1.00 0.00 WT1 O ATOM 16919 H1 TIP3 5513 79.581 18.112 39.254 1.00 0.00 WT1 H ATOM 16920 H2 TIP3 5513 80.514 19.249 39.611 1.00 0.00 WT1 H ATOM 16921 OH2 TIP3 5515 71.016 43.624 16.277 1.00 0.00 WT1 O ATOM 16922 H1 TIP3 5515 71.120 44.204 17.032 1.00 0.00 WT1 H ATOM 16923 H2 TIP3 5515 70.070 43.516 16.185 1.00 0.00 WT1 H ATOM 16924 OH2 TIP3 5516 22.273 55.490 29.486 1.00 0.00 WT1 O ATOM 16925 H1 TIP3 5516 23.220 55.413 29.603 1.00 0.00 WT1 H ATOM 16926 H2 TIP3 5516 22.170 56.131 28.783 1.00 0.00 WT1 H ATOM 16927 OH2 TIP3 5517 22.902 39.607 14.678 1.00 0.00 WT1 O ATOM 16928 H1 TIP3 5517 23.839 39.601 14.481 1.00 0.00 WT1 H ATOM 16929 H2 TIP3 5517 22.570 38.797 14.290 1.00 0.00 WT1 H ATOM 16930 OH2 TIP3 5519 62.913 18.430 60.471 1.00 0.00 WT1 O ATOM 16931 H1 TIP3 5519 62.362 17.753 60.078 1.00 0.00 WT1 H ATOM 16932 H2 TIP3 5519 62.418 19.241 60.351 1.00 0.00 WT1 H ATOM 16933 OH2 TIP3 5521 89.310 67.008 13.901 1.00 0.00 WT1 O ATOM 16934 H1 TIP3 5521 89.204 66.291 13.275 1.00 0.00 WT1 H ATOM 16935 H2 TIP3 5521 90.257 67.093 14.011 1.00 0.00 WT1 H ATOM 16936 OH2 TIP3 5522 43.579 42.921 6.404 1.00 0.00 WT1 O ATOM 16937 H1 TIP3 5522 43.731 43.764 5.977 1.00 0.00 WT1 H ATOM 16938 H2 TIP3 5522 43.297 43.148 7.290 1.00 0.00 WT1 H ATOM 16939 OH2 TIP3 5523 84.889 85.834 -17.306 1.00 0.00 WT1 O ATOM 16940 H1 TIP3 5523 85.208 85.003 -17.658 1.00 0.00 WT1 H ATOM 16941 H2 TIP3 5523 84.990 85.748 -16.358 1.00 0.00 WT1 H ATOM 16942 OH2 TIP3 5524 73.415 24.595 8.859 1.00 0.00 WT1 O ATOM 16943 H1 TIP3 5524 73.894 23.852 8.491 1.00 0.00 WT1 H ATOM 16944 H2 TIP3 5524 72.578 24.595 8.394 1.00 0.00 WT1 H ATOM 16945 OH2 TIP3 5525 44.679 12.247 -16.060 1.00 0.00 WT1 O ATOM 16946 H1 TIP3 5525 44.452 11.328 -15.920 1.00 0.00 WT1 H ATOM 16947 H2 TIP3 5525 44.887 12.304 -16.993 1.00 0.00 WT1 H ATOM 16948 OH2 TIP3 5526 76.852 51.369 39.177 1.00 0.00 WT1 O ATOM 16949 H1 TIP3 5526 75.923 51.385 38.946 1.00 0.00 WT1 H ATOM 16950 H2 TIP3 5526 76.864 51.150 40.108 1.00 0.00 WT1 H ATOM 16951 OH2 TIP3 5527 61.716 34.289 60.020 1.00 0.00 WT1 O ATOM 16952 H1 TIP3 5527 61.087 34.544 60.695 1.00 0.00 WT1 H ATOM 16953 H2 TIP3 5527 61.219 34.324 59.203 1.00 0.00 WT1 H ATOM 16954 OH2 TIP3 5528 76.943 38.885 5.699 1.00 0.00 WT1 O ATOM 16955 H1 TIP3 5528 76.331 39.543 6.030 1.00 0.00 WT1 H ATOM 16956 H2 TIP3 5528 76.438 38.390 5.054 1.00 0.00 WT1 H ATOM 16957 OH2 TIP3 5529 66.590 47.839 44.832 1.00 0.00 WT1 O ATOM 16958 H1 TIP3 5529 66.995 47.195 44.251 1.00 0.00 WT1 H ATOM 16959 H2 TIP3 5529 66.237 48.506 44.242 1.00 0.00 WT1 H ATOM 16960 OH2 TIP3 5530 69.891 27.577 23.904 1.00 0.00 WT1 O ATOM 16961 H1 TIP3 5530 70.067 28.341 23.354 1.00 0.00 WT1 H ATOM 16962 H2 TIP3 5530 69.951 26.833 23.305 1.00 0.00 WT1 H ATOM 16963 OH2 TIP3 5531 48.593 7.608 46.252 1.00 0.00 WT1 O ATOM 16964 H1 TIP3 5531 48.237 6.727 46.142 1.00 0.00 WT1 H ATOM 16965 H2 TIP3 5531 48.346 7.857 47.143 1.00 0.00 WT1 H ATOM 16966 OH2 TIP3 5532 88.760 38.524 65.811 1.00 0.00 WT1 O ATOM 16967 H1 TIP3 5532 88.307 39.344 65.614 1.00 0.00 WT1 H ATOM 16968 H2 TIP3 5532 88.168 38.059 66.402 1.00 0.00 WT1 H ATOM 16969 OH2 TIP3 5533 26.056 76.100 -11.015 1.00 0.00 WT1 O ATOM 16970 H1 TIP3 5533 25.830 76.389 -10.131 1.00 0.00 WT1 H ATOM 16971 H2 TIP3 5533 27.012 76.147 -11.046 1.00 0.00 WT1 H ATOM 16972 OH2 TIP3 5534 85.308 27.329 37.828 1.00 0.00 WT1 O ATOM 16973 H1 TIP3 5534 84.790 27.313 37.023 1.00 0.00 WT1 H ATOM 16974 H2 TIP3 5534 85.997 26.680 37.683 1.00 0.00 WT1 H ATOM 16975 OH2 TIP3 5535 33.284 69.828 45.519 1.00 0.00 WT1 O ATOM 16976 H1 TIP3 5535 33.637 70.708 45.391 1.00 0.00 WT1 H ATOM 16977 H2 TIP3 5535 33.756 69.488 46.279 1.00 0.00 WT1 H ATOM 16978 OH2 TIP3 5536 38.198 49.680 9.183 1.00 0.00 WT1 O ATOM 16979 H1 TIP3 5536 39.040 50.093 8.993 1.00 0.00 WT1 H ATOM 16980 H2 TIP3 5536 37.557 50.212 8.711 1.00 0.00 WT1 H ATOM 16981 OH2 TIP3 5538 78.242 18.528 -9.762 1.00 0.00 WT1 O ATOM 16982 H1 TIP3 5538 79.061 18.353 -10.225 1.00 0.00 WT1 H ATOM 16983 H2 TIP3 5538 78.201 19.483 -9.700 1.00 0.00 WT1 H ATOM 16984 OH2 TIP3 5543 31.129 47.555 65.859 1.00 0.00 WT1 O ATOM 16985 H1 TIP3 5543 30.684 47.736 66.687 1.00 0.00 WT1 H ATOM 16986 H2 TIP3 5543 31.123 46.600 65.787 1.00 0.00 WT1 H ATOM 16987 OH2 TIP3 5544 75.255 62.380 40.237 1.00 0.00 WT1 O ATOM 16988 H1 TIP3 5544 74.389 62.780 40.321 1.00 0.00 WT1 H ATOM 16989 H2 TIP3 5544 75.247 61.658 40.864 1.00 0.00 WT1 H ATOM 16990 OH2 TIP3 5545 48.440 8.092 17.830 1.00 0.00 WT1 O ATOM 16991 H1 TIP3 5545 49.082 8.726 17.512 1.00 0.00 WT1 H ATOM 16992 H2 TIP3 5545 48.926 7.548 18.450 1.00 0.00 WT1 H ATOM 16993 OH2 TIP3 5547 55.196 44.210 1.288 1.00 0.00 WT1 O ATOM 16994 H1 TIP3 5547 55.555 43.356 1.528 1.00 0.00 WT1 H ATOM 16995 H2 TIP3 5547 54.973 44.620 2.124 1.00 0.00 WT1 H ATOM 16996 OH2 TIP3 5548 68.350 80.559 -6.024 1.00 0.00 WT1 O ATOM 16997 H1 TIP3 5548 67.806 79.997 -5.472 1.00 0.00 WT1 H ATOM 16998 H2 TIP3 5548 69.133 80.038 -6.200 1.00 0.00 WT1 H ATOM 16999 OH2 TIP3 5549 55.336 51.141 2.837 1.00 0.00 WT1 O ATOM 17000 H1 TIP3 5549 54.436 50.845 2.977 1.00 0.00 WT1 H ATOM 17001 H2 TIP3 5549 55.330 52.060 3.104 1.00 0.00 WT1 H ATOM 17002 OH2 TIP3 5550 59.785 13.954 29.641 1.00 0.00 WT1 O ATOM 17003 H1 TIP3 5550 59.325 14.441 30.324 1.00 0.00 WT1 H ATOM 17004 H2 TIP3 5550 59.825 14.559 28.900 1.00 0.00 WT1 H ATOM 17005 OH2 TIP3 5551 45.152 24.375 -6.325 1.00 0.00 WT1 O ATOM 17006 H1 TIP3 5551 45.632 23.902 -5.645 1.00 0.00 WT1 H ATOM 17007 H2 TIP3 5551 44.682 23.693 -6.805 1.00 0.00 WT1 H ATOM 17008 OH2 TIP3 5552 34.788 30.446 -5.221 1.00 0.00 WT1 O ATOM 17009 H1 TIP3 5552 35.018 29.963 -4.427 1.00 0.00 WT1 H ATOM 17010 H2 TIP3 5552 35.225 29.969 -5.927 1.00 0.00 WT1 H ATOM 17011 OH2 TIP3 5553 60.268 39.871 66.352 1.00 0.00 WT1 O ATOM 17012 H1 TIP3 5553 59.830 39.598 67.158 1.00 0.00 WT1 H ATOM 17013 H2 TIP3 5553 60.890 40.543 66.631 1.00 0.00 WT1 H ATOM 17014 OH2 TIP3 5554 71.941 61.595 46.145 1.00 0.00 WT1 O ATOM 17015 H1 TIP3 5554 71.814 62.531 46.301 1.00 0.00 WT1 H ATOM 17016 H2 TIP3 5554 72.880 61.457 46.267 1.00 0.00 WT1 H ATOM 17017 OH2 TIP3 5555 55.229 5.425 6.375 1.00 0.00 WT1 O ATOM 17018 H1 TIP3 5555 54.767 6.151 5.955 1.00 0.00 WT1 H ATOM 17019 H2 TIP3 5555 54.544 4.783 6.565 1.00 0.00 WT1 H ATOM 17020 OH2 TIP3 5556 36.648 78.681 22.814 1.00 0.00 WT1 O ATOM 17021 H1 TIP3 5556 37.513 79.066 22.676 1.00 0.00 WT1 H ATOM 17022 H2 TIP3 5556 36.736 77.778 22.511 1.00 0.00 WT1 H ATOM 17023 OH2 TIP3 5558 57.415 63.863 15.880 1.00 0.00 WT1 O ATOM 17024 H1 TIP3 5558 57.471 63.566 14.971 1.00 0.00 WT1 H ATOM 17025 H2 TIP3 5558 57.698 63.108 16.396 1.00 0.00 WT1 H ATOM 17026 OH2 TIP3 5559 40.303 89.887 7.676 1.00 0.00 WT1 O ATOM 17027 H1 TIP3 5559 39.630 89.436 8.185 1.00 0.00 WT1 H ATOM 17028 H2 TIP3 5559 40.981 89.226 7.535 1.00 0.00 WT1 H ATOM 17029 OH2 TIP3 5561 32.726 59.049 54.663 1.00 0.00 WT1 O ATOM 17030 H1 TIP3 5561 32.349 58.395 55.252 1.00 0.00 WT1 H ATOM 17031 H2 TIP3 5561 31.968 59.486 54.274 1.00 0.00 WT1 H ATOM 17032 OH2 TIP3 5563 55.302 87.463 39.966 1.00 0.00 WT1 O ATOM 17033 H1 TIP3 5563 55.918 87.195 39.285 1.00 0.00 WT1 H ATOM 17034 H2 TIP3 5563 55.774 88.128 40.468 1.00 0.00 WT1 H ATOM 17035 OH2 TIP3 5564 45.590 48.401 41.729 1.00 0.00 WT1 O ATOM 17036 H1 TIP3 5564 45.482 48.865 40.899 1.00 0.00 WT1 H ATOM 17037 H2 TIP3 5564 46.495 48.577 41.987 1.00 0.00 WT1 H ATOM 17038 OH2 TIP3 5565 87.542 43.959 1.017 1.00 0.00 WT1 O ATOM 17039 H1 TIP3 5565 88.178 44.672 1.072 1.00 0.00 WT1 H ATOM 17040 H2 TIP3 5565 86.722 44.387 0.772 1.00 0.00 WT1 H ATOM 17041 OH2 TIP3 5566 28.425 35.172 52.462 1.00 0.00 WT1 O ATOM 17042 H1 TIP3 5566 27.791 35.874 52.317 1.00 0.00 WT1 H ATOM 17043 H2 TIP3 5566 29.097 35.315 51.795 1.00 0.00 WT1 H ATOM 17044 OH2 TIP3 5567 60.829 59.706 50.731 1.00 0.00 WT1 O ATOM 17045 H1 TIP3 5567 61.162 60.025 49.891 1.00 0.00 WT1 H ATOM 17046 H2 TIP3 5567 60.126 59.101 50.496 1.00 0.00 WT1 H ATOM 17047 OH2 TIP3 5568 39.933 67.891 -13.110 1.00 0.00 WT1 O ATOM 17048 H1 TIP3 5568 39.767 67.321 -12.359 1.00 0.00 WT1 H ATOM 17049 H2 TIP3 5568 40.171 67.292 -13.818 1.00 0.00 WT1 H ATOM 17050 OH2 TIP3 5569 41.475 41.579 58.479 1.00 0.00 WT1 O ATOM 17051 H1 TIP3 5569 41.597 40.713 58.869 1.00 0.00 WT1 H ATOM 17052 H2 TIP3 5569 42.223 42.089 58.789 1.00 0.00 WT1 H ATOM 17053 OH2 TIP3 5570 64.023 32.414 -11.405 1.00 0.00 WT1 O ATOM 17054 H1 TIP3 5570 63.950 33.096 -10.738 1.00 0.00 WT1 H ATOM 17055 H2 TIP3 5570 63.263 32.550 -11.972 1.00 0.00 WT1 H ATOM 17056 OH2 TIP3 5571 74.370 17.990 10.461 1.00 0.00 WT1 O ATOM 17057 H1 TIP3 5571 74.158 18.771 10.972 1.00 0.00 WT1 H ATOM 17058 H2 TIP3 5571 73.529 17.553 10.330 1.00 0.00 WT1 H ATOM 17059 OH2 TIP3 5572 74.690 70.683 -8.104 1.00 0.00 WT1 O ATOM 17060 H1 TIP3 5572 74.377 71.240 -7.391 1.00 0.00 WT1 H ATOM 17061 H2 TIP3 5572 75.118 69.948 -7.663 1.00 0.00 WT1 H ATOM 17062 OH2 TIP3 5573 45.272 66.964 53.439 1.00 0.00 WT1 O ATOM 17063 H1 TIP3 5573 44.408 67.169 53.082 1.00 0.00 WT1 H ATOM 17064 H2 TIP3 5573 45.314 66.008 53.431 1.00 0.00 WT1 H ATOM 17065 OH2 TIP3 5575 30.731 1.216 45.822 1.00 0.00 WT1 O ATOM 17066 H1 TIP3 5575 30.988 1.438 44.927 1.00 0.00 WT1 H ATOM 17067 H2 TIP3 5575 29.790 1.389 45.851 1.00 0.00 WT1 H ATOM 17068 OH2 TIP3 5576 29.639 53.374 33.472 1.00 0.00 WT1 O ATOM 17069 H1 TIP3 5576 30.046 53.715 32.676 1.00 0.00 WT1 H ATOM 17070 H2 TIP3 5576 28.857 53.913 33.592 1.00 0.00 WT1 H ATOM 17071 OH2 TIP3 5577 28.211 54.004 5.914 1.00 0.00 WT1 O ATOM 17072 H1 TIP3 5577 29.154 53.950 6.073 1.00 0.00 WT1 H ATOM 17073 H2 TIP3 5577 27.823 53.436 6.580 1.00 0.00 WT1 H ATOM 17074 OH2 TIP3 5579 38.230 33.494 16.852 1.00 0.00 WT1 O ATOM 17075 H1 TIP3 5579 38.743 34.222 16.502 1.00 0.00 WT1 H ATOM 17076 H2 TIP3 5579 38.870 32.797 16.997 1.00 0.00 WT1 H ATOM 17077 OH2 TIP3 5581 20.863 52.616 29.499 1.00 0.00 WT1 O ATOM 17078 H1 TIP3 5581 20.326 53.403 29.404 1.00 0.00 WT1 H ATOM 17079 H2 TIP3 5581 21.215 52.458 28.623 1.00 0.00 WT1 H ATOM 17080 OH2 TIP3 5584 90.600 80.299 46.353 1.00 0.00 WT1 O ATOM 17081 H1 TIP3 5584 89.931 80.710 45.805 1.00 0.00 WT1 H ATOM 17082 H2 TIP3 5584 90.748 80.924 47.061 1.00 0.00 WT1 H ATOM 17083 OH2 TIP3 5585 56.492 39.690 48.234 1.00 0.00 WT1 O ATOM 17084 H1 TIP3 5585 56.865 40.504 47.896 1.00 0.00 WT1 H ATOM 17085 H2 TIP3 5585 57.075 39.004 47.907 1.00 0.00 WT1 H ATOM 17086 OH2 TIP3 5587 58.072 43.384 36.788 1.00 0.00 WT1 O ATOM 17087 H1 TIP3 5587 58.830 43.778 37.220 1.00 0.00 WT1 H ATOM 17088 H2 TIP3 5587 57.688 44.099 36.279 1.00 0.00 WT1 H ATOM 17089 OH2 TIP3 5589 84.095 11.947 5.635 1.00 0.00 WT1 O ATOM 17090 H1 TIP3 5589 84.215 12.893 5.713 1.00 0.00 WT1 H ATOM 17091 H2 TIP3 5589 83.546 11.838 4.859 1.00 0.00 WT1 H ATOM 17092 OH2 TIP3 5590 28.541 16.677 5.909 1.00 0.00 WT1 O ATOM 17093 H1 TIP3 5590 28.120 17.531 5.817 1.00 0.00 WT1 H ATOM 17094 H2 TIP3 5590 29.351 16.753 5.405 1.00 0.00 WT1 H ATOM 17095 OH2 TIP3 5591 57.117 70.680 -13.536 1.00 0.00 WT1 O ATOM 17096 H1 TIP3 5591 57.776 70.658 -14.230 1.00 0.00 WT1 H ATOM 17097 H2 TIP3 5591 57.355 69.959 -12.955 1.00 0.00 WT1 H ATOM 17098 OH2 TIP3 5592 82.940 16.327 4.486 1.00 0.00 WT1 O ATOM 17099 H1 TIP3 5592 83.265 17.204 4.285 1.00 0.00 WT1 H ATOM 17100 H2 TIP3 5592 82.042 16.321 4.157 1.00 0.00 WT1 H ATOM 17101 OH2 TIP3 5595 63.322 37.129 62.278 1.00 0.00 WT1 O ATOM 17102 H1 TIP3 5595 63.919 37.701 62.761 1.00 0.00 WT1 H ATOM 17103 H2 TIP3 5595 62.687 37.725 61.882 1.00 0.00 WT1 H ATOM 17104 OH2 TIP3 5596 40.056 76.791 13.767 1.00 0.00 WT1 O ATOM 17105 H1 TIP3 5596 40.744 76.440 14.331 1.00 0.00 WT1 H ATOM 17106 H2 TIP3 5596 39.363 77.059 14.371 1.00 0.00 WT1 H ATOM 17107 OH2 TIP3 5597 54.269 53.830 18.581 1.00 0.00 WT1 O ATOM 17108 H1 TIP3 5597 54.516 54.043 17.681 1.00 0.00 WT1 H ATOM 17109 H2 TIP3 5597 54.407 52.886 18.651 1.00 0.00 WT1 H ATOM 17110 OH2 TIP3 5598 73.674 24.075 -8.435 1.00 0.00 WT1 O ATOM 17111 H1 TIP3 5598 73.428 24.917 -8.817 1.00 0.00 WT1 H ATOM 17112 H2 TIP3 5598 73.448 23.431 -9.106 1.00 0.00 WT1 H ATOM 17113 OH2 TIP3 5605 63.945 50.998 25.778 1.00 0.00 WT1 O ATOM 17114 H1 TIP3 5605 63.383 50.270 25.510 1.00 0.00 WT1 H ATOM 17115 H2 TIP3 5605 63.341 51.647 26.139 1.00 0.00 WT1 H ATOM 17116 OH2 TIP3 5606 42.806 16.879 -6.490 1.00 0.00 WT1 O ATOM 17117 H1 TIP3 5606 42.692 17.192 -5.592 1.00 0.00 WT1 H ATOM 17118 H2 TIP3 5606 42.167 16.171 -6.579 1.00 0.00 WT1 H ATOM 17119 OH2 TIP3 5607 46.318 37.066 -17.437 1.00 0.00 WT1 O ATOM 17120 H1 TIP3 5607 45.954 37.840 -17.007 1.00 0.00 WT1 H ATOM 17121 H2 TIP3 5607 47.262 37.222 -17.453 1.00 0.00 WT1 H ATOM 17122 OH2 TIP3 5608 48.781 13.449 -15.961 1.00 0.00 WT1 O ATOM 17123 H1 TIP3 5608 48.058 13.645 -16.557 1.00 0.00 WT1 H ATOM 17124 H2 TIP3 5608 49.363 14.206 -16.035 1.00 0.00 WT1 H ATOM 17125 OH2 TIP3 5609 88.864 41.426 55.868 1.00 0.00 WT1 O ATOM 17126 H1 TIP3 5609 88.845 40.573 56.301 1.00 0.00 WT1 H ATOM 17127 H2 TIP3 5609 87.949 41.709 55.855 1.00 0.00 WT1 H ATOM 17128 OH2 TIP3 5610 67.467 39.571 -6.050 1.00 0.00 WT1 O ATOM 17129 H1 TIP3 5610 67.253 39.467 -6.977 1.00 0.00 WT1 H ATOM 17130 H2 TIP3 5610 66.919 40.299 -5.756 1.00 0.00 WT1 H ATOM 17131 OH2 TIP3 5611 70.928 29.275 58.903 1.00 0.00 WT1 O ATOM 17132 H1 TIP3 5611 71.486 29.410 58.137 1.00 0.00 WT1 H ATOM 17133 H2 TIP3 5611 71.101 28.373 59.171 1.00 0.00 WT1 H ATOM 17134 OH2 TIP3 5612 62.014 65.474 41.898 1.00 0.00 WT1 O ATOM 17135 H1 TIP3 5612 62.599 64.724 42.006 1.00 0.00 WT1 H ATOM 17136 H2 TIP3 5612 61.378 65.190 41.241 1.00 0.00 WT1 H ATOM 17137 OH2 TIP3 5613 70.948 36.871 44.592 1.00 0.00 WT1 O ATOM 17138 H1 TIP3 5613 71.192 37.425 45.333 1.00 0.00 WT1 H ATOM 17139 H2 TIP3 5613 71.223 35.991 44.849 1.00 0.00 WT1 H ATOM 17140 OH2 TIP3 5614 47.961 77.596 14.776 1.00 0.00 WT1 O ATOM 17141 H1 TIP3 5614 48.863 77.621 14.456 1.00 0.00 WT1 H ATOM 17142 H2 TIP3 5614 48.000 77.050 15.561 1.00 0.00 WT1 H ATOM 17143 OH2 TIP3 5615 67.594 57.215 23.261 1.00 0.00 WT1 O ATOM 17144 H1 TIP3 5615 67.006 57.047 22.525 1.00 0.00 WT1 H ATOM 17145 H2 TIP3 5615 67.295 56.619 23.948 1.00 0.00 WT1 H ATOM 17146 OH2 TIP3 5616 26.349 80.614 -11.041 1.00 0.00 WT1 O ATOM 17147 H1 TIP3 5616 26.371 79.713 -11.365 1.00 0.00 WT1 H ATOM 17148 H2 TIP3 5616 27.124 81.025 -11.423 1.00 0.00 WT1 H ATOM 17149 OH2 TIP3 5618 56.413 39.273 -2.758 1.00 0.00 WT1 O ATOM 17150 H1 TIP3 5618 55.474 39.161 -2.906 1.00 0.00 WT1 H ATOM 17151 H2 TIP3 5618 56.470 39.922 -2.056 1.00 0.00 WT1 H ATOM 17152 OH2 TIP3 5626 70.830 54.634 60.042 1.00 0.00 WT1 O ATOM 17153 H1 TIP3 5626 69.947 54.284 59.918 1.00 0.00 WT1 H ATOM 17154 H2 TIP3 5626 70.717 55.356 60.660 1.00 0.00 WT1 H ATOM 17155 OH2 TIP3 5630 54.499 19.724 34.321 1.00 0.00 WT1 O ATOM 17156 H1 TIP3 5630 53.597 19.878 34.037 1.00 0.00 WT1 H ATOM 17157 H2 TIP3 5630 55.037 20.070 33.609 1.00 0.00 WT1 H ATOM 17158 OH2 TIP3 5631 88.793 21.923 -0.319 1.00 0.00 WT1 O ATOM 17159 H1 TIP3 5631 88.744 22.493 -1.087 1.00 0.00 WT1 H ATOM 17160 H2 TIP3 5631 89.363 22.391 0.291 1.00 0.00 WT1 H ATOM 17161 OH2 TIP3 5632 54.402 94.205 66.270 1.00 0.00 WT1 O ATOM 17162 H1 TIP3 5632 54.340 93.918 65.359 1.00 0.00 WT1 H ATOM 17163 H2 TIP3 5632 53.904 95.022 66.299 1.00 0.00 WT1 H ATOM 17164 OH2 TIP3 5633 61.772 38.416 -14.797 1.00 0.00 WT1 O ATOM 17165 H1 TIP3 5633 61.623 37.601 -14.317 1.00 0.00 WT1 H ATOM 17166 H2 TIP3 5633 62.411 38.184 -15.470 1.00 0.00 WT1 H ATOM 17167 OH2 TIP3 5636 59.242 60.218 -0.818 1.00 0.00 WT1 O ATOM 17168 H1 TIP3 5636 58.723 59.616 -0.285 1.00 0.00 WT1 H ATOM 17169 H2 TIP3 5636 59.695 60.772 -0.182 1.00 0.00 WT1 H ATOM 17170 OH2 TIP3 5637 57.113 30.856 -11.399 1.00 0.00 WT1 O ATOM 17171 H1 TIP3 5637 56.372 30.768 -11.997 1.00 0.00 WT1 H ATOM 17172 H2 TIP3 5637 56.851 30.369 -10.618 1.00 0.00 WT1 H ATOM 17173 OH2 TIP3 5642 24.605 67.106 53.776 1.00 0.00 WT1 O ATOM 17174 H1 TIP3 5642 23.805 67.611 53.631 1.00 0.00 WT1 H ATOM 17175 H2 TIP3 5642 25.278 67.766 53.942 1.00 0.00 WT1 H ATOM 17176 OH2 TIP3 5647 63.827 20.438 -18.655 1.00 0.00 WT1 O ATOM 17177 H1 TIP3 5647 64.655 20.724 -18.269 1.00 0.00 WT1 H ATOM 17178 H2 TIP3 5647 63.833 20.808 -19.538 1.00 0.00 WT1 H ATOM 17179 OH2 TIP3 5648 34.901 25.414 15.305 1.00 0.00 WT1 O ATOM 17180 H1 TIP3 5648 34.828 24.607 15.815 1.00 0.00 WT1 H ATOM 17181 H2 TIP3 5648 34.289 25.295 14.579 1.00 0.00 WT1 H ATOM 17182 OH2 TIP3 5649 54.837 82.752 60.478 1.00 0.00 WT1 O ATOM 17183 H1 TIP3 5649 54.494 83.190 59.699 1.00 0.00 WT1 H ATOM 17184 H2 TIP3 5649 55.519 82.169 60.145 1.00 0.00 WT1 H ATOM 17185 OH2 TIP3 5650 60.376 35.732 51.034 1.00 0.00 WT1 O ATOM 17186 H1 TIP3 5650 60.080 36.477 51.557 1.00 0.00 WT1 H ATOM 17187 H2 TIP3 5650 59.570 35.337 50.701 1.00 0.00 WT1 H ATOM 17188 OH2 TIP3 5651 82.161 63.547 59.465 1.00 0.00 WT1 O ATOM 17189 H1 TIP3 5651 82.555 62.746 59.120 1.00 0.00 WT1 H ATOM 17190 H2 TIP3 5651 81.416 63.245 59.984 1.00 0.00 WT1 H ATOM 17191 OH2 TIP3 5653 40.335 60.071 50.135 1.00 0.00 WT1 O ATOM 17192 H1 TIP3 5653 40.404 60.747 49.462 1.00 0.00 WT1 H ATOM 17193 H2 TIP3 5653 41.161 60.128 50.617 1.00 0.00 WT1 H ATOM 17194 OH2 TIP3 5654 76.065 94.391 42.683 1.00 0.00 WT1 O ATOM 17195 H1 TIP3 5654 76.037 95.347 42.686 1.00 0.00 WT1 H ATOM 17196 H2 TIP3 5654 76.868 94.173 43.157 1.00 0.00 WT1 H ATOM 17197 OH2 TIP3 5655 36.401 24.940 51.117 1.00 0.00 WT1 O ATOM 17198 H1 TIP3 5655 35.959 24.888 50.269 1.00 0.00 WT1 H ATOM 17199 H2 TIP3 5655 35.718 25.221 51.726 1.00 0.00 WT1 H ATOM 17200 OH2 TIP3 5656 74.254 85.434 66.231 1.00 0.00 WT1 O ATOM 17201 H1 TIP3 5656 75.027 85.496 66.793 1.00 0.00 WT1 H ATOM 17202 H2 TIP3 5656 73.627 84.921 66.741 1.00 0.00 WT1 H ATOM 17203 OH2 TIP3 5657 69.366 42.999 18.766 1.00 0.00 WT1 O ATOM 17204 H1 TIP3 5657 69.185 42.941 17.828 1.00 0.00 WT1 H ATOM 17205 H2 TIP3 5657 68.515 43.186 19.163 1.00 0.00 WT1 H ATOM 17206 OH2 TIP3 5658 35.263 19.593 13.149 1.00 0.00 WT1 O ATOM 17207 H1 TIP3 5658 35.858 20.200 13.589 1.00 0.00 WT1 H ATOM 17208 H2 TIP3 5658 35.795 18.815 12.980 1.00 0.00 WT1 H ATOM 17209 OH2 TIP3 5663 52.228 47.365 -4.038 1.00 0.00 WT1 O ATOM 17210 H1 TIP3 5663 52.034 46.780 -3.305 1.00 0.00 WT1 H ATOM 17211 H2 TIP3 5663 53.163 47.553 -3.954 1.00 0.00 WT1 H ATOM 17212 OH2 TIP3 5664 78.442 21.306 41.479 1.00 0.00 WT1 O ATOM 17213 H1 TIP3 5664 78.712 20.415 41.699 1.00 0.00 WT1 H ATOM 17214 H2 TIP3 5664 78.259 21.277 40.540 1.00 0.00 WT1 H ATOM 17215 OH2 TIP3 5668 61.108 28.464 19.507 1.00 0.00 WT1 O ATOM 17216 H1 TIP3 5668 60.636 29.134 20.001 1.00 0.00 WT1 H ATOM 17217 H2 TIP3 5668 60.575 27.675 19.604 1.00 0.00 WT1 H ATOM 17218 OH2 TIP3 5669 87.240 78.059 65.615 1.00 0.00 WT1 O ATOM 17219 H1 TIP3 5669 87.673 77.215 65.740 1.00 0.00 WT1 H ATOM 17220 H2 TIP3 5669 87.112 78.397 66.501 1.00 0.00 WT1 H ATOM 17221 OH2 TIP3 5670 30.368 46.965 36.239 1.00 0.00 WT1 O ATOM 17222 H1 TIP3 5670 30.694 46.072 36.134 1.00 0.00 WT1 H ATOM 17223 H2 TIP3 5670 29.945 47.167 35.404 1.00 0.00 WT1 H ATOM 17224 OH2 TIP3 5671 42.161 1.565 26.364 1.00 0.00 WT1 O ATOM 17225 H1 TIP3 5671 41.845 1.010 25.651 1.00 0.00 WT1 H ATOM 17226 H2 TIP3 5671 41.525 2.279 26.413 1.00 0.00 WT1 H ATOM 17227 OH2 TIP3 5673 67.028 93.819 41.235 1.00 0.00 WT1 O ATOM 17228 H1 TIP3 5673 67.659 93.137 41.466 1.00 0.00 WT1 H ATOM 17229 H2 TIP3 5673 67.432 94.632 41.538 1.00 0.00 WT1 H ATOM 17230 OH2 TIP3 5674 69.828 86.067 9.916 1.00 0.00 WT1 O ATOM 17231 H1 TIP3 5674 69.271 86.670 10.409 1.00 0.00 WT1 H ATOM 17232 H2 TIP3 5674 69.893 86.460 9.045 1.00 0.00 WT1 H ATOM 17233 OH2 TIP3 5675 79.522 39.902 16.751 1.00 0.00 WT1 O ATOM 17234 H1 TIP3 5675 79.651 39.014 16.419 1.00 0.00 WT1 H ATOM 17235 H2 TIP3 5675 78.708 40.196 16.341 1.00 0.00 WT1 H ATOM 17236 OH2 TIP3 5676 33.004 55.916 -12.350 1.00 0.00 WT1 O ATOM 17237 H1 TIP3 5676 33.874 55.577 -12.140 1.00 0.00 WT1 H ATOM 17238 H2 TIP3 5676 33.158 56.819 -12.625 1.00 0.00 WT1 H ATOM 17239 OH2 TIP3 5678 79.553 89.061 28.541 1.00 0.00 WT1 O ATOM 17240 H1 TIP3 5678 79.604 89.984 28.291 1.00 0.00 WT1 H ATOM 17241 H2 TIP3 5678 80.168 88.619 27.955 1.00 0.00 WT1 H ATOM 17242 OH2 TIP3 5679 32.278 58.269 28.844 1.00 0.00 WT1 O ATOM 17243 H1 TIP3 5679 32.269 57.654 29.577 1.00 0.00 WT1 H ATOM 17244 H2 TIP3 5679 33.191 58.284 28.555 1.00 0.00 WT1 H ATOM 17245 OH2 TIP3 5682 64.972 40.649 29.189 1.00 0.00 WT1 O ATOM 17246 H1 TIP3 5682 65.169 41.458 28.716 1.00 0.00 WT1 H ATOM 17247 H2 TIP3 5682 64.658 40.047 28.513 1.00 0.00 WT1 H ATOM 17248 OH2 TIP3 5683 76.423 81.180 -10.274 1.00 0.00 WT1 O ATOM 17249 H1 TIP3 5683 76.994 81.061 -11.033 1.00 0.00 WT1 H ATOM 17250 H2 TIP3 5683 75.601 80.758 -10.524 1.00 0.00 WT1 H ATOM 17251 OH2 TIP3 5687 51.000 16.557 -4.910 1.00 0.00 WT1 O ATOM 17252 H1 TIP3 5687 50.079 16.800 -5.004 1.00 0.00 WT1 H ATOM 17253 H2 TIP3 5687 51.356 17.199 -4.295 1.00 0.00 WT1 H ATOM 17254 OH2 TIP3 5690 71.273 88.699 19.829 1.00 0.00 WT1 O ATOM 17255 H1 TIP3 5690 70.515 89.281 19.889 1.00 0.00 WT1 H ATOM 17256 H2 TIP3 5690 71.202 88.134 20.599 1.00 0.00 WT1 H ATOM 17257 OH2 TIP3 5691 69.747 2.269 33.381 1.00 0.00 WT1 O ATOM 17258 H1 TIP3 5691 69.829 1.430 32.928 1.00 0.00 WT1 H ATOM 17259 H2 TIP3 5691 70.650 2.551 33.528 1.00 0.00 WT1 H ATOM 17260 OH2 TIP3 5692 32.536 22.490 -14.264 1.00 0.00 WT1 O ATOM 17261 H1 TIP3 5692 32.062 21.934 -13.645 1.00 0.00 WT1 H ATOM 17262 H2 TIP3 5692 31.852 22.891 -14.799 1.00 0.00 WT1 H ATOM 17263 OH2 TIP3 5694 86.707 44.745 36.549 1.00 0.00 WT1 O ATOM 17264 H1 TIP3 5694 86.236 43.915 36.475 1.00 0.00 WT1 H ATOM 17265 H2 TIP3 5694 86.249 45.220 37.242 1.00 0.00 WT1 H ATOM 17266 OH2 TIP3 5695 66.662 67.266 10.348 1.00 0.00 WT1 O ATOM 17267 H1 TIP3 5695 66.415 66.434 10.753 1.00 0.00 WT1 H ATOM 17268 H2 TIP3 5695 66.045 67.373 9.624 1.00 0.00 WT1 H ATOM 17269 OH2 TIP3 5697 31.928 28.973 -12.499 1.00 0.00 WT1 O ATOM 17270 H1 TIP3 5697 32.122 29.908 -12.435 1.00 0.00 WT1 H ATOM 17271 H2 TIP3 5697 32.678 28.543 -12.086 1.00 0.00 WT1 H ATOM 17272 OH2 TIP3 5698 45.938 53.877 25.482 1.00 0.00 WT1 O ATOM 17273 H1 TIP3 5698 45.912 54.373 24.664 1.00 0.00 WT1 H ATOM 17274 H2 TIP3 5698 46.287 53.022 25.233 1.00 0.00 WT1 H ATOM 17275 OH2 TIP3 5700 77.942 26.195 -12.184 1.00 0.00 WT1 O ATOM 17276 H1 TIP3 5700 78.839 26.454 -12.395 1.00 0.00 WT1 H ATOM 17277 H2 TIP3 5700 77.574 26.954 -11.731 1.00 0.00 WT1 H ATOM 17278 OH2 TIP3 5701 60.382 45.505 -0.007 1.00 0.00 WT1 O ATOM 17279 H1 TIP3 5701 60.583 46.441 0.013 1.00 0.00 WT1 H ATOM 17280 H2 TIP3 5701 59.437 45.466 -0.153 1.00 0.00 WT1 H ATOM 17281 OH2 TIP3 5702 59.146 83.783 -12.903 1.00 0.00 WT1 O ATOM 17282 H1 TIP3 5702 58.774 83.147 -12.292 1.00 0.00 WT1 H ATOM 17283 H2 TIP3 5702 58.958 84.634 -12.508 1.00 0.00 WT1 H ATOM 17284 OH2 TIP3 5704 74.453 33.341 5.370 1.00 0.00 WT1 O ATOM 17285 H1 TIP3 5704 75.096 33.344 6.079 1.00 0.00 WT1 H ATOM 17286 H2 TIP3 5704 73.742 32.788 5.694 1.00 0.00 WT1 H ATOM 17287 OH2 TIP3 5705 54.891 57.303 18.552 1.00 0.00 WT1 O ATOM 17288 H1 TIP3 5705 53.957 57.168 18.391 1.00 0.00 WT1 H ATOM 17289 H2 TIP3 5705 54.921 57.875 19.320 1.00 0.00 WT1 H ATOM 17290 OH2 TIP3 5706 21.970 86.064 20.251 1.00 0.00 WT1 O ATOM 17291 H1 TIP3 5706 21.958 85.515 21.035 1.00 0.00 WT1 H ATOM 17292 H2 TIP3 5706 21.735 86.937 20.566 1.00 0.00 WT1 H ATOM 17293 OH2 TIP3 5709 79.629 77.298 20.641 1.00 0.00 WT1 O ATOM 17294 H1 TIP3 5709 78.844 77.382 21.183 1.00 0.00 WT1 H ATOM 17295 H2 TIP3 5709 79.547 76.436 20.233 1.00 0.00 WT1 H ATOM 17296 OH2 TIP3 5710 59.608 0.561 -19.380 1.00 0.00 WT1 O ATOM 17297 H1 TIP3 5710 58.775 0.258 -19.740 1.00 0.00 WT1 H ATOM 17298 H2 TIP3 5710 59.918 1.213 -20.008 1.00 0.00 WT1 H ATOM 17299 OH2 TIP3 5711 38.895 95.300 9.442 1.00 0.00 WT1 O ATOM 17300 H1 TIP3 5711 39.604 94.721 9.164 1.00 0.00 WT1 H ATOM 17301 H2 TIP3 5711 39.256 95.782 10.186 1.00 0.00 WT1 H ATOM 17302 OH2 TIP3 5713 64.554 2.972 8.237 1.00 0.00 WT1 O ATOM 17303 H1 TIP3 5713 63.701 2.611 7.994 1.00 0.00 WT1 H ATOM 17304 H2 TIP3 5713 64.998 3.122 7.403 1.00 0.00 WT1 H ATOM 17305 OH2 TIP3 5714 22.340 67.959 5.529 1.00 0.00 WT1 O ATOM 17306 H1 TIP3 5714 21.482 67.663 5.831 1.00 0.00 WT1 H ATOM 17307 H2 TIP3 5714 22.530 68.729 6.066 1.00 0.00 WT1 H ATOM 17308 OH2 TIP3 5716 33.919 6.821 19.846 1.00 0.00 WT1 O ATOM 17309 H1 TIP3 5716 34.659 7.319 19.502 1.00 0.00 WT1 H ATOM 17310 H2 TIP3 5716 34.283 6.323 20.578 1.00 0.00 WT1 H ATOM 17311 OH2 TIP3 5717 73.581 19.730 59.697 1.00 0.00 WT1 O ATOM 17312 H1 TIP3 5717 73.991 19.618 60.554 1.00 0.00 WT1 H ATOM 17313 H2 TIP3 5717 73.688 20.660 59.499 1.00 0.00 WT1 H ATOM 17314 OH2 TIP3 5718 21.535 49.169 65.380 1.00 0.00 WT1 O ATOM 17315 H1 TIP3 5718 21.389 49.522 66.258 1.00 0.00 WT1 H ATOM 17316 H2 TIP3 5718 22.355 48.681 65.451 1.00 0.00 WT1 H ATOM 17317 OH2 TIP3 5719 45.594 61.102 10.706 1.00 0.00 WT1 O ATOM 17318 H1 TIP3 5719 45.293 61.644 11.435 1.00 0.00 WT1 H ATOM 17319 H2 TIP3 5719 46.394 60.688 11.029 1.00 0.00 WT1 H ATOM 17320 OH2 TIP3 5720 55.980 13.434 18.259 1.00 0.00 WT1 O ATOM 17321 H1 TIP3 5720 56.360 14.310 18.197 1.00 0.00 WT1 H ATOM 17322 H2 TIP3 5720 55.690 13.362 19.168 1.00 0.00 WT1 H ATOM 17323 OH2 TIP3 5722 20.848 55.373 1.742 1.00 0.00 WT1 O ATOM 17324 H1 TIP3 5722 20.263 55.563 2.475 1.00 0.00 WT1 H ATOM 17325 H2 TIP3 5722 21.696 55.199 2.150 1.00 0.00 WT1 H ATOM 17326 OH2 TIP3 5723 76.210 29.876 62.385 1.00 0.00 WT1 O ATOM 17327 H1 TIP3 5723 76.242 30.051 61.444 1.00 0.00 WT1 H ATOM 17328 H2 TIP3 5723 76.981 29.336 62.555 1.00 0.00 WT1 H ATOM 17329 OH2 TIP3 5726 45.039 31.034 46.433 1.00 0.00 WT1 O ATOM 17330 H1 TIP3 5726 45.677 31.647 46.798 1.00 0.00 WT1 H ATOM 17331 H2 TIP3 5726 44.781 31.425 45.598 1.00 0.00 WT1 H ATOM 17332 OH2 TIP3 5727 80.412 77.450 -9.693 1.00 0.00 WT1 O ATOM 17333 H1 TIP3 5727 79.805 78.179 -9.568 1.00 0.00 WT1 H ATOM 17334 H2 TIP3 5727 80.147 76.802 -9.040 1.00 0.00 WT1 H ATOM 17335 OH2 TIP3 5728 82.614 38.269 26.366 1.00 0.00 WT1 O ATOM 17336 H1 TIP3 5728 82.721 38.556 25.459 1.00 0.00 WT1 H ATOM 17337 H2 TIP3 5728 83.508 38.175 26.694 1.00 0.00 WT1 H ATOM 17338 OH2 TIP3 5729 65.553 60.773 13.677 1.00 0.00 WT1 O ATOM 17339 H1 TIP3 5729 66.162 60.066 13.892 1.00 0.00 WT1 H ATOM 17340 H2 TIP3 5729 64.878 60.354 13.143 1.00 0.00 WT1 H ATOM 17341 OH2 TIP3 5730 87.236 37.956 -14.694 1.00 0.00 WT1 O ATOM 17342 H1 TIP3 5730 87.370 38.876 -14.462 1.00 0.00 WT1 H ATOM 17343 H2 TIP3 5730 88.000 37.505 -14.336 1.00 0.00 WT1 H ATOM 17344 OH2 TIP3 5732 76.437 70.044 9.223 1.00 0.00 WT1 O ATOM 17345 H1 TIP3 5732 75.643 69.638 8.876 1.00 0.00 WT1 H ATOM 17346 H2 TIP3 5732 77.121 69.387 9.090 1.00 0.00 WT1 H ATOM 17347 OH2 TIP3 5733 49.749 1.184 46.077 1.00 0.00 WT1 O ATOM 17348 H1 TIP3 5733 50.107 0.377 45.707 1.00 0.00 WT1 H ATOM 17349 H2 TIP3 5733 49.866 1.838 45.388 1.00 0.00 WT1 H ATOM 17350 OH2 TIP3 5734 33.188 59.145 9.056 1.00 0.00 WT1 O ATOM 17351 H1 TIP3 5734 32.783 59.466 9.862 1.00 0.00 WT1 H ATOM 17352 H2 TIP3 5734 33.913 58.595 9.353 1.00 0.00 WT1 H ATOM 17353 OH2 TIP3 5735 70.646 94.865 66.911 1.00 0.00 WT1 O ATOM 17354 H1 TIP3 5735 71.060 94.652 66.075 1.00 0.00 WT1 H ATOM 17355 H2 TIP3 5735 71.377 95.052 67.500 1.00 0.00 WT1 H ATOM 17356 OH2 TIP3 5736 74.216 15.435 39.723 1.00 0.00 WT1 O ATOM 17357 H1 TIP3 5736 73.462 15.542 39.143 1.00 0.00 WT1 H ATOM 17358 H2 TIP3 5736 74.758 16.206 39.557 1.00 0.00 WT1 H ATOM 17359 OH2 TIP3 5737 66.688 54.484 18.208 1.00 0.00 WT1 O ATOM 17360 H1 TIP3 5737 66.310 53.903 17.547 1.00 0.00 WT1 H ATOM 17361 H2 TIP3 5737 66.509 55.366 17.882 1.00 0.00 WT1 H ATOM 17362 OH2 TIP3 5738 32.611 93.098 35.873 1.00 0.00 WT1 O ATOM 17363 H1 TIP3 5738 31.791 93.364 36.289 1.00 0.00 WT1 H ATOM 17364 H2 TIP3 5738 33.255 93.109 36.582 1.00 0.00 WT1 H ATOM 17365 OH2 TIP3 5741 45.571 85.479 7.300 1.00 0.00 WT1 O ATOM 17366 H1 TIP3 5741 45.931 86.363 7.230 1.00 0.00 WT1 H ATOM 17367 H2 TIP3 5741 46.333 84.903 7.234 1.00 0.00 WT1 H ATOM 17368 OH2 TIP3 5742 68.891 81.772 26.098 1.00 0.00 WT1 O ATOM 17369 H1 TIP3 5742 68.883 81.020 25.506 1.00 0.00 WT1 H ATOM 17370 H2 TIP3 5742 69.622 81.601 26.692 1.00 0.00 WT1 H ATOM 17371 OH2 TIP3 5744 46.486 15.527 -5.346 1.00 0.00 WT1 O ATOM 17372 H1 TIP3 5744 47.060 15.488 -4.581 1.00 0.00 WT1 H ATOM 17373 H2 TIP3 5744 45.842 14.835 -5.198 1.00 0.00 WT1 H ATOM 17374 OH2 TIP3 5746 50.273 33.498 62.284 1.00 0.00 WT1 O ATOM 17375 H1 TIP3 5746 50.043 34.367 62.612 1.00 0.00 WT1 H ATOM 17376 H2 TIP3 5746 49.688 32.902 62.751 1.00 0.00 WT1 H ATOM 17377 OH2 TIP3 5748 61.751 33.125 -9.345 1.00 0.00 WT1 O ATOM 17378 H1 TIP3 5748 62.443 33.701 -9.018 1.00 0.00 WT1 H ATOM 17379 H2 TIP3 5748 61.883 32.302 -8.874 1.00 0.00 WT1 H ATOM 17380 OH2 TIP3 5749 58.073 83.364 55.500 1.00 0.00 WT1 O ATOM 17381 H1 TIP3 5749 57.231 83.121 55.114 1.00 0.00 WT1 H ATOM 17382 H2 TIP3 5749 58.070 84.321 55.500 1.00 0.00 WT1 H ATOM 17383 OH2 TIP3 5750 63.272 74.197 18.164 1.00 0.00 WT1 O ATOM 17384 H1 TIP3 5750 63.273 73.844 17.275 1.00 0.00 WT1 H ATOM 17385 H2 TIP3 5750 62.455 73.879 18.548 1.00 0.00 WT1 H ATOM 17386 OH2 TIP3 5752 33.564 65.979 51.200 1.00 0.00 WT1 O ATOM 17387 H1 TIP3 5752 34.051 65.821 50.390 1.00 0.00 WT1 H ATOM 17388 H2 TIP3 5752 33.487 65.115 51.605 1.00 0.00 WT1 H ATOM 17389 OH2 TIP3 5753 27.614 74.820 26.244 1.00 0.00 WT1 O ATOM 17390 H1 TIP3 5753 28.376 75.380 26.390 1.00 0.00 WT1 H ATOM 17391 H2 TIP3 5753 27.783 74.042 26.775 1.00 0.00 WT1 H ATOM 17392 OH2 TIP3 5754 21.906 31.200 35.969 1.00 0.00 WT1 O ATOM 17393 H1 TIP3 5754 21.654 32.103 36.167 1.00 0.00 WT1 H ATOM 17394 H2 TIP3 5754 21.826 31.132 35.018 1.00 0.00 WT1 H ATOM 17395 OH2 TIP3 5755 64.566 17.920 62.498 1.00 0.00 WT1 O ATOM 17396 H1 TIP3 5755 64.289 17.943 61.582 1.00 0.00 WT1 H ATOM 17397 H2 TIP3 5755 64.452 17.006 62.761 1.00 0.00 WT1 H ATOM 17398 OH2 TIP3 5756 42.216 2.299 2.701 1.00 0.00 WT1 O ATOM 17399 H1 TIP3 5756 41.750 2.621 1.930 1.00 0.00 WT1 H ATOM 17400 H2 TIP3 5756 41.681 1.572 3.019 1.00 0.00 WT1 H ATOM 17401 OH2 TIP3 5757 33.742 82.535 47.111 1.00 0.00 WT1 O ATOM 17402 H1 TIP3 5757 33.122 81.919 47.503 1.00 0.00 WT1 H ATOM 17403 H2 TIP3 5757 34.171 82.034 46.417 1.00 0.00 WT1 H ATOM 17404 OH2 TIP3 5758 48.292 8.771 -13.879 1.00 0.00 WT1 O ATOM 17405 H1 TIP3 5758 49.248 8.729 -13.911 1.00 0.00 WT1 H ATOM 17406 H2 TIP3 5758 48.070 9.561 -14.373 1.00 0.00 WT1 H ATOM 17407 OH2 TIP3 5759 86.883 34.834 41.069 1.00 0.00 WT1 O ATOM 17408 H1 TIP3 5759 86.238 34.316 40.588 1.00 0.00 WT1 H ATOM 17409 H2 TIP3 5759 87.412 34.187 41.536 1.00 0.00 WT1 H ATOM 17410 OH2 TIP3 5760 35.747 80.527 37.037 1.00 0.00 WT1 O ATOM 17411 H1 TIP3 5760 35.178 80.601 36.271 1.00 0.00 WT1 H ATOM 17412 H2 TIP3 5760 35.150 80.563 37.784 1.00 0.00 WT1 H ATOM 17413 OH2 TIP3 5761 20.190 59.895 -1.169 1.00 0.00 WT1 O ATOM 17414 H1 TIP3 5761 20.805 60.576 -1.442 1.00 0.00 WT1 H ATOM 17415 H2 TIP3 5761 20.432 59.130 -1.691 1.00 0.00 WT1 H ATOM 17416 OH2 TIP3 5762 60.253 12.115 22.046 1.00 0.00 WT1 O ATOM 17417 H1 TIP3 5762 60.886 12.674 21.596 1.00 0.00 WT1 H ATOM 17418 H2 TIP3 5762 59.743 11.715 21.342 1.00 0.00 WT1 H ATOM 17419 OH2 TIP3 5763 75.293 64.012 47.495 1.00 0.00 WT1 O ATOM 17420 H1 TIP3 5763 75.601 63.895 48.394 1.00 0.00 WT1 H ATOM 17421 H2 TIP3 5763 74.847 64.858 47.503 1.00 0.00 WT1 H ATOM 17422 OH2 TIP3 5764 70.904 39.365 65.688 1.00 0.00 WT1 O ATOM 17423 H1 TIP3 5764 71.322 38.532 65.907 1.00 0.00 WT1 H ATOM 17424 H2 TIP3 5764 71.289 39.994 66.298 1.00 0.00 WT1 H ATOM 17425 OH2 TIP3 5765 53.934 15.485 -17.395 1.00 0.00 WT1 O ATOM 17426 H1 TIP3 5765 53.895 15.870 -18.271 1.00 0.00 WT1 H ATOM 17427 H2 TIP3 5765 53.384 14.704 -17.451 1.00 0.00 WT1 H ATOM 17428 OH2 TIP3 5767 75.688 82.178 19.157 1.00 0.00 WT1 O ATOM 17429 H1 TIP3 5767 74.992 82.815 18.997 1.00 0.00 WT1 H ATOM 17430 H2 TIP3 5767 75.248 81.445 19.588 1.00 0.00 WT1 H ATOM 17431 OH2 TIP3 5768 38.704 71.166 21.048 1.00 0.00 WT1 O ATOM 17432 H1 TIP3 5768 38.989 71.932 21.546 1.00 0.00 WT1 H ATOM 17433 H2 TIP3 5768 39.371 70.502 21.226 1.00 0.00 WT1 H ATOM 17434 OH2 TIP3 5769 69.357 68.750 26.324 1.00 0.00 WT1 O ATOM 17435 H1 TIP3 5769 69.070 69.397 26.968 1.00 0.00 WT1 H ATOM 17436 H2 TIP3 5769 69.305 69.208 25.485 1.00 0.00 WT1 H ATOM 17437 OH2 TIP3 5772 42.691 57.695 44.869 1.00 0.00 WT1 O ATOM 17438 H1 TIP3 5772 42.641 58.496 44.347 1.00 0.00 WT1 H ATOM 17439 H2 TIP3 5772 42.792 56.994 44.225 1.00 0.00 WT1 H ATOM 17440 OH2 TIP3 5773 47.794 71.147 6.480 1.00 0.00 WT1 O ATOM 17441 H1 TIP3 5773 47.819 70.732 7.343 1.00 0.00 WT1 H ATOM 17442 H2 TIP3 5773 48.431 71.859 6.537 1.00 0.00 WT1 H ATOM 17443 OH2 TIP3 5774 45.476 55.920 -11.861 1.00 0.00 WT1 O ATOM 17444 H1 TIP3 5774 45.778 55.013 -11.806 1.00 0.00 WT1 H ATOM 17445 H2 TIP3 5774 45.929 56.367 -11.146 1.00 0.00 WT1 H ATOM 17446 OH2 TIP3 5775 79.019 77.478 -0.858 1.00 0.00 WT1 O ATOM 17447 H1 TIP3 5775 79.197 77.607 -1.789 1.00 0.00 WT1 H ATOM 17448 H2 TIP3 5775 79.292 78.297 -0.445 1.00 0.00 WT1 H ATOM 17449 OH2 TIP3 5776 88.613 49.564 65.054 1.00 0.00 WT1 O ATOM 17450 H1 TIP3 5776 88.790 48.721 64.637 1.00 0.00 WT1 H ATOM 17451 H2 TIP3 5776 89.458 49.839 65.408 1.00 0.00 WT1 H ATOM 17452 OH2 TIP3 5777 29.879 0.411 -1.029 1.00 0.00 WT1 O ATOM 17453 H1 TIP3 5777 30.548 -0.229 -1.269 1.00 0.00 WT1 H ATOM 17454 H2 TIP3 5777 29.581 0.134 -0.163 1.00 0.00 WT1 H ATOM 17455 OH2 TIP3 5778 86.323 34.424 48.931 1.00 0.00 WT1 O ATOM 17456 H1 TIP3 5778 86.147 34.885 48.111 1.00 0.00 WT1 H ATOM 17457 H2 TIP3 5778 85.457 34.180 49.260 1.00 0.00 WT1 H ATOM 17458 OH2 TIP3 5779 20.832 68.423 -1.186 1.00 0.00 WT1 O ATOM 17459 H1 TIP3 5779 21.762 68.512 -0.977 1.00 0.00 WT1 H ATOM 17460 H2 TIP3 5779 20.433 68.106 -0.376 1.00 0.00 WT1 H ATOM 17461 OH2 TIP3 5780 57.175 16.147 18.431 1.00 0.00 WT1 O ATOM 17462 H1 TIP3 5780 57.854 16.821 18.482 1.00 0.00 WT1 H ATOM 17463 H2 TIP3 5780 56.372 16.595 18.699 1.00 0.00 WT1 H ATOM 17464 OH2 TIP3 5781 23.714 94.304 -2.956 1.00 0.00 WT1 O ATOM 17465 H1 TIP3 5781 24.086 93.422 -2.978 1.00 0.00 WT1 H ATOM 17466 H2 TIP3 5781 22.771 94.168 -3.048 1.00 0.00 WT1 H ATOM 17467 OH2 TIP3 5782 26.892 67.384 17.598 1.00 0.00 WT1 O ATOM 17468 H1 TIP3 5782 27.344 67.649 16.798 1.00 0.00 WT1 H ATOM 17469 H2 TIP3 5782 27.173 68.022 18.255 1.00 0.00 WT1 H ATOM 17470 OH2 TIP3 5783 90.266 74.504 63.649 1.00 0.00 WT1 O ATOM 17471 H1 TIP3 5783 90.129 74.181 62.758 1.00 0.00 WT1 H ATOM 17472 H2 TIP3 5783 91.083 74.093 63.931 1.00 0.00 WT1 H ATOM 17473 OH2 TIP3 5784 39.880 10.848 47.388 1.00 0.00 WT1 O ATOM 17474 H1 TIP3 5784 40.701 10.383 47.550 1.00 0.00 WT1 H ATOM 17475 H2 TIP3 5784 39.734 11.362 48.182 1.00 0.00 WT1 H ATOM 17476 OH2 TIP3 5785 43.045 45.601 52.015 1.00 0.00 WT1 O ATOM 17477 H1 TIP3 5785 43.961 45.845 52.144 1.00 0.00 WT1 H ATOM 17478 H2 TIP3 5785 42.592 46.433 51.877 1.00 0.00 WT1 H ATOM 17479 OH2 TIP3 5786 83.522 80.473 23.220 1.00 0.00 WT1 O ATOM 17480 H1 TIP3 5786 84.197 79.924 23.619 1.00 0.00 WT1 H ATOM 17481 H2 TIP3 5786 82.851 80.560 23.897 1.00 0.00 WT1 H ATOM 17482 OH2 TIP3 5787 61.818 14.417 64.374 1.00 0.00 WT1 O ATOM 17483 H1 TIP3 5787 61.901 14.469 65.326 1.00 0.00 WT1 H ATOM 17484 H2 TIP3 5787 60.883 14.538 64.208 1.00 0.00 WT1 H ATOM 17485 OH2 TIP3 5788 22.165 17.667 53.571 1.00 0.00 WT1 O ATOM 17486 H1 TIP3 5788 22.057 16.924 54.164 1.00 0.00 WT1 H ATOM 17487 H2 TIP3 5788 22.312 18.416 54.148 1.00 0.00 WT1 H ATOM 17488 OH2 TIP3 5789 88.775 95.440 15.391 1.00 0.00 WT1 O ATOM 17489 H1 TIP3 5789 88.387 96.132 14.855 1.00 0.00 WT1 H ATOM 17490 H2 TIP3 5789 88.346 94.637 15.093 1.00 0.00 WT1 H ATOM 17491 OH2 TIP3 5790 53.988 96.021 11.272 1.00 0.00 WT1 O ATOM 17492 H1 TIP3 5790 54.330 95.913 10.385 1.00 0.00 WT1 H ATOM 17493 H2 TIP3 5790 54.225 96.916 11.514 1.00 0.00 WT1 H ATOM 17494 OH2 TIP3 5791 25.785 91.661 44.666 1.00 0.00 WT1 O ATOM 17495 H1 TIP3 5791 25.599 92.091 43.831 1.00 0.00 WT1 H ATOM 17496 H2 TIP3 5791 26.524 91.083 44.479 1.00 0.00 WT1 H ATOM 17497 OH2 TIP3 5792 25.831 23.952 65.089 1.00 0.00 WT1 O ATOM 17498 H1 TIP3 5792 26.429 23.802 64.357 1.00 0.00 WT1 H ATOM 17499 H2 TIP3 5792 25.574 23.075 65.373 1.00 0.00 WT1 H ATOM 17500 OH2 TIP3 5793 73.536 37.550 -10.931 1.00 0.00 WT1 O ATOM 17501 H1 TIP3 5793 73.698 36.658 -10.623 1.00 0.00 WT1 H ATOM 17502 H2 TIP3 5793 73.140 37.994 -10.182 1.00 0.00 WT1 H ATOM 17503 OH2 TIP3 5794 53.982 87.413 6.295 1.00 0.00 WT1 O ATOM 17504 H1 TIP3 5794 53.553 86.653 5.902 1.00 0.00 WT1 H ATOM 17505 H2 TIP3 5794 53.856 87.299 7.237 1.00 0.00 WT1 H ATOM 17506 OH2 TIP3 5795 83.086 91.632 15.152 1.00 0.00 WT1 O ATOM 17507 H1 TIP3 5795 82.375 91.711 15.788 1.00 0.00 WT1 H ATOM 17508 H2 TIP3 5795 83.230 92.525 14.841 1.00 0.00 WT1 H ATOM 17509 OH2 TIP3 5796 63.659 2.994 18.470 1.00 0.00 WT1 O ATOM 17510 H1 TIP3 5796 64.528 3.293 18.203 1.00 0.00 WT1 H ATOM 17511 H2 TIP3 5796 63.810 2.518 19.287 1.00 0.00 WT1 H ATOM 17512 OH2 TIP3 5797 43.164 77.716 16.970 1.00 0.00 WT1 O ATOM 17513 H1 TIP3 5797 42.414 77.673 17.563 1.00 0.00 WT1 H ATOM 17514 H2 TIP3 5797 43.518 76.827 16.965 1.00 0.00 WT1 H ATOM 17515 OH2 TIP3 5798 89.250 55.567 37.391 1.00 0.00 WT1 O ATOM 17516 H1 TIP3 5798 89.890 54.858 37.327 1.00 0.00 WT1 H ATOM 17517 H2 TIP3 5798 89.572 56.118 38.104 1.00 0.00 WT1 H ATOM 17518 OH2 TIP3 5799 25.050 85.627 2.520 1.00 0.00 WT1 O ATOM 17519 H1 TIP3 5799 25.247 86.363 1.941 1.00 0.00 WT1 H ATOM 17520 H2 TIP3 5799 25.789 85.596 3.128 1.00 0.00 WT1 H ATOM 17521 OH2 TIP3 5800 59.905 84.526 -5.400 1.00 0.00 WT1 O ATOM 17522 H1 TIP3 5800 59.656 83.618 -5.568 1.00 0.00 WT1 H ATOM 17523 H2 TIP3 5800 59.165 84.892 -4.915 1.00 0.00 WT1 H ATOM 17524 OH2 TIP3 5801 67.327 29.277 38.909 1.00 0.00 WT1 O ATOM 17525 H1 TIP3 5801 67.156 29.751 39.722 1.00 0.00 WT1 H ATOM 17526 H2 TIP3 5801 66.886 28.435 39.025 1.00 0.00 WT1 H ATOM 17527 OH2 TIP3 5802 46.130 12.630 4.922 1.00 0.00 WT1 O ATOM 17528 H1 TIP3 5802 45.586 12.440 5.686 1.00 0.00 WT1 H ATOM 17529 H2 TIP3 5802 46.881 12.043 5.010 1.00 0.00 WT1 H ATOM 17530 OH2 TIP3 5803 54.096 63.725 11.291 1.00 0.00 WT1 O ATOM 17531 H1 TIP3 5803 54.891 63.691 11.823 1.00 0.00 WT1 H ATOM 17532 H2 TIP3 5803 54.366 64.165 10.485 1.00 0.00 WT1 H ATOM 17533 OH2 TIP3 5804 71.882 39.372 -6.261 1.00 0.00 WT1 O ATOM 17534 H1 TIP3 5804 71.031 39.414 -5.824 1.00 0.00 WT1 H ATOM 17535 H2 TIP3 5804 71.813 40.000 -6.980 1.00 0.00 WT1 H ATOM 17536 OH2 TIP3 5805 68.032 83.234 65.432 1.00 0.00 WT1 O ATOM 17537 H1 TIP3 5805 68.662 83.582 64.800 1.00 0.00 WT1 H ATOM 17538 H2 TIP3 5805 67.182 83.335 65.004 1.00 0.00 WT1 H ATOM 17539 OH2 TIP3 5806 33.329 90.657 -6.076 1.00 0.00 WT1 O ATOM 17540 H1 TIP3 5806 33.088 90.989 -5.211 1.00 0.00 WT1 H ATOM 17541 H2 TIP3 5806 34.077 90.083 -5.913 1.00 0.00 WT1 H ATOM 17542 OH2 TIP3 5807 57.337 94.109 25.954 1.00 0.00 WT1 O ATOM 17543 H1 TIP3 5807 57.674 94.914 26.349 1.00 0.00 WT1 H ATOM 17544 H2 TIP3 5807 58.112 93.562 25.826 1.00 0.00 WT1 H ATOM 17545 OH2 TIP3 5808 29.256 2.115 2.894 1.00 0.00 WT1 O ATOM 17546 H1 TIP3 5808 29.354 1.203 2.621 1.00 0.00 WT1 H ATOM 17547 H2 TIP3 5808 29.649 2.148 3.766 1.00 0.00 WT1 H ATOM 17548 OH2 TIP3 5809 61.562 8.874 21.719 1.00 0.00 WT1 O ATOM 17549 H1 TIP3 5809 61.195 9.679 21.353 1.00 0.00 WT1 H ATOM 17550 H2 TIP3 5809 62.429 8.803 21.320 1.00 0.00 WT1 H ATOM 17551 OH2 TIP3 5810 59.142 91.248 -11.759 1.00 0.00 WT1 O ATOM 17552 H1 TIP3 5810 59.099 90.987 -10.839 1.00 0.00 WT1 H ATOM 17553 H2 TIP3 5810 59.276 92.196 -11.733 1.00 0.00 WT1 H ATOM 17554 OH2 TIP3 5813 56.031 0.505 0.620 1.00 0.00 WT1 O ATOM 17555 H1 TIP3 5813 55.308 0.101 1.102 1.00 0.00 WT1 H ATOM 17556 H2 TIP3 5813 55.948 1.441 0.804 1.00 0.00 WT1 H ATOM 17557 OH2 TIP3 5814 81.309 58.377 54.495 1.00 0.00 WT1 O ATOM 17558 H1 TIP3 5814 81.641 58.680 53.650 1.00 0.00 WT1 H ATOM 17559 H2 TIP3 5814 80.363 58.517 54.446 1.00 0.00 WT1 H ATOM 17560 OH2 TIP3 5815 88.597 32.608 45.232 1.00 0.00 WT1 O ATOM 17561 H1 TIP3 5815 88.700 32.534 46.181 1.00 0.00 WT1 H ATOM 17562 H2 TIP3 5815 88.378 31.721 44.945 1.00 0.00 WT1 H ATOM 17563 OH2 TIP3 5816 71.199 32.423 37.236 1.00 0.00 WT1 O ATOM 17564 H1 TIP3 5816 72.057 32.780 37.004 1.00 0.00 WT1 H ATOM 17565 H2 TIP3 5816 70.582 33.123 37.021 1.00 0.00 WT1 H ATOM 17566 OH2 TIP3 5817 83.274 85.136 61.735 1.00 0.00 WT1 O ATOM 17567 H1 TIP3 5817 83.222 85.367 60.807 1.00 0.00 WT1 H ATOM 17568 H2 TIP3 5817 82.933 85.905 62.192 1.00 0.00 WT1 H ATOM 17569 OH2 TIP3 5818 40.663 49.748 -9.997 1.00 0.00 WT1 O ATOM 17570 H1 TIP3 5818 41.584 49.605 -9.780 1.00 0.00 WT1 H ATOM 17571 H2 TIP3 5818 40.501 50.662 -9.763 1.00 0.00 WT1 H ATOM 17572 OH2 TIP3 5819 33.498 5.432 0.513 1.00 0.00 WT1 O ATOM 17573 H1 TIP3 5819 33.145 6.175 1.002 1.00 0.00 WT1 H ATOM 17574 H2 TIP3 5819 33.951 4.905 1.172 1.00 0.00 WT1 H ATOM 17575 OH2 TIP3 5820 35.054 90.519 3.372 1.00 0.00 WT1 O ATOM 17576 H1 TIP3 5820 35.586 90.748 4.134 1.00 0.00 WT1 H ATOM 17577 H2 TIP3 5820 34.349 89.977 3.726 1.00 0.00 WT1 H ATOM 17578 OH2 TIP3 5821 67.227 1.455 -18.899 1.00 0.00 WT1 O ATOM 17579 H1 TIP3 5821 67.773 0.990 -19.533 1.00 0.00 WT1 H ATOM 17580 H2 TIP3 5821 66.887 0.767 -18.326 1.00 0.00 WT1 H ATOM 17581 OH2 TIP3 5822 63.576 73.129 -17.866 1.00 0.00 WT1 O ATOM 17582 H1 TIP3 5822 64.286 72.544 -17.601 1.00 0.00 WT1 H ATOM 17583 H2 TIP3 5822 63.419 72.915 -18.785 1.00 0.00 WT1 H ATOM 17584 OH2 TIP3 5823 23.531 36.708 -10.764 1.00 0.00 WT1 O ATOM 17585 H1 TIP3 5823 23.436 37.649 -10.615 1.00 0.00 WT1 H ATOM 17586 H2 TIP3 5823 24.309 36.629 -11.315 1.00 0.00 WT1 H ATOM 17587 OH2 TIP3 5824 63.806 57.430 -12.411 1.00 0.00 WT1 O ATOM 17588 H1 TIP3 5824 63.015 57.933 -12.605 1.00 0.00 WT1 H ATOM 17589 H2 TIP3 5824 64.082 57.739 -11.549 1.00 0.00 WT1 H ATOM 17590 OH2 TIP3 5826 71.743 59.539 31.992 1.00 0.00 WT1 O ATOM 17591 H1 TIP3 5826 72.003 59.390 32.901 1.00 0.00 WT1 H ATOM 17592 H2 TIP3 5826 70.787 59.498 32.005 1.00 0.00 WT1 H ATOM 17593 OH2 TIP3 5827 84.073 3.558 50.436 1.00 0.00 WT1 O ATOM 17594 H1 TIP3 5827 83.974 4.442 50.084 1.00 0.00 WT1 H ATOM 17595 H2 TIP3 5827 85.011 3.471 50.607 1.00 0.00 WT1 H ATOM 17596 OH2 TIP3 5828 25.482 0.305 -15.549 1.00 0.00 WT1 O ATOM 17597 H1 TIP3 5828 25.692 0.702 -14.704 1.00 0.00 WT1 H ATOM 17598 H2 TIP3 5828 26.147 -0.373 -15.667 1.00 0.00 WT1 H ATOM 17599 OH2 TIP3 5830 56.371 74.374 26.371 1.00 0.00 WT1 O ATOM 17600 H1 TIP3 5830 55.977 73.595 26.764 1.00 0.00 WT1 H ATOM 17601 H2 TIP3 5830 56.157 74.308 25.441 1.00 0.00 WT1 H ATOM 17602 OH2 TIP3 5831 88.593 51.453 29.708 1.00 0.00 WT1 O ATOM 17603 H1 TIP3 5831 89.346 50.863 29.689 1.00 0.00 WT1 H ATOM 17604 H2 TIP3 5831 88.170 51.331 28.859 1.00 0.00 WT1 H ATOM 17605 OH2 TIP3 5832 50.717 39.962 -19.194 1.00 0.00 WT1 O ATOM 17606 H1 TIP3 5832 51.128 39.150 -18.896 1.00 0.00 WT1 H ATOM 17607 H2 TIP3 5832 50.181 40.246 -18.453 1.00 0.00 WT1 H ATOM 17608 OH2 TIP3 5833 40.140 68.828 51.864 1.00 0.00 WT1 O ATOM 17609 H1 TIP3 5833 40.690 68.844 51.080 1.00 0.00 WT1 H ATOM 17610 H2 TIP3 5833 39.893 67.909 51.965 1.00 0.00 WT1 H ATOM 17611 OH2 TIP3 5834 50.590 30.799 57.855 1.00 0.00 WT1 O ATOM 17612 H1 TIP3 5834 50.420 31.405 57.134 1.00 0.00 WT1 H ATOM 17613 H2 TIP3 5834 51.059 31.324 58.504 1.00 0.00 WT1 H ATOM 17614 OH2 TIP3 5835 52.705 93.980 15.235 1.00 0.00 WT1 O ATOM 17615 H1 TIP3 5835 53.028 93.120 15.503 1.00 0.00 WT1 H ATOM 17616 H2 TIP3 5835 52.811 93.990 14.284 1.00 0.00 WT1 H ATOM 17617 OH2 TIP3 5836 49.218 76.257 31.194 1.00 0.00 WT1 O ATOM 17618 H1 TIP3 5836 49.075 75.448 30.703 1.00 0.00 WT1 H ATOM 17619 H2 TIP3 5836 49.066 76.014 32.107 1.00 0.00 WT1 H ATOM 17620 OH2 TIP3 5837 38.005 66.431 -4.426 1.00 0.00 WT1 O ATOM 17621 H1 TIP3 5837 38.124 66.410 -3.477 1.00 0.00 WT1 H ATOM 17622 H2 TIP3 5837 37.057 66.468 -4.549 1.00 0.00 WT1 H ATOM 17623 OH2 TIP3 5838 80.713 75.516 -1.936 1.00 0.00 WT1 O ATOM 17624 H1 TIP3 5838 80.232 76.129 -1.381 1.00 0.00 WT1 H ATOM 17625 H2 TIP3 5838 80.581 74.663 -1.523 1.00 0.00 WT1 H ATOM 17626 OH2 TIP3 5839 32.279 26.800 23.236 1.00 0.00 WT1 O ATOM 17627 H1 TIP3 5839 31.469 26.292 23.292 1.00 0.00 WT1 H ATOM 17628 H2 TIP3 5839 32.679 26.523 22.412 1.00 0.00 WT1 H ATOM 17629 OH2 TIP3 5840 20.673 55.661 8.480 1.00 0.00 WT1 O ATOM 17630 H1 TIP3 5840 20.084 55.996 7.804 1.00 0.00 WT1 H ATOM 17631 H2 TIP3 5840 21.491 56.138 8.344 1.00 0.00 WT1 H ATOM 17632 OH2 TIP3 5841 82.808 9.829 54.312 1.00 0.00 WT1 O ATOM 17633 H1 TIP3 5841 82.068 9.793 54.917 1.00 0.00 WT1 H ATOM 17634 H2 TIP3 5841 83.110 8.923 54.248 1.00 0.00 WT1 H ATOM 17635 OH2 TIP3 5842 58.460 5.866 -0.412 1.00 0.00 WT1 O ATOM 17636 H1 TIP3 5842 58.261 6.243 0.445 1.00 0.00 WT1 H ATOM 17637 H2 TIP3 5842 58.489 4.922 -0.258 1.00 0.00 WT1 H ATOM 17638 OH2 TIP3 5843 73.744 78.352 57.299 1.00 0.00 WT1 O ATOM 17639 H1 TIP3 5843 73.376 78.318 58.182 1.00 0.00 WT1 H ATOM 17640 H2 TIP3 5843 73.042 78.029 56.734 1.00 0.00 WT1 H ATOM 17641 OH2 TIP3 5844 60.868 92.842 -1.551 1.00 0.00 WT1 O ATOM 17642 H1 TIP3 5844 60.361 92.096 -1.230 1.00 0.00 WT1 H ATOM 17643 H2 TIP3 5844 60.430 93.099 -2.362 1.00 0.00 WT1 H ATOM 17644 OH2 TIP3 5845 88.656 25.208 4.789 1.00 0.00 WT1 O ATOM 17645 H1 TIP3 5845 89.451 24.979 5.270 1.00 0.00 WT1 H ATOM 17646 H2 TIP3 5845 88.556 24.509 4.143 1.00 0.00 WT1 H ATOM 17647 OH2 TIP3 5846 79.765 32.850 11.803 1.00 0.00 WT1 O ATOM 17648 H1 TIP3 5846 80.592 32.393 11.652 1.00 0.00 WT1 H ATOM 17649 H2 TIP3 5846 80.016 33.661 12.244 1.00 0.00 WT1 H ATOM 17650 OH2 TIP3 5847 53.381 35.674 46.139 1.00 0.00 WT1 O ATOM 17651 H1 TIP3 5847 53.924 36.188 46.736 1.00 0.00 WT1 H ATOM 17652 H2 TIP3 5847 54.001 35.116 45.670 1.00 0.00 WT1 H ATOM 17653 OH2 TIP3 5848 67.825 27.149 63.557 1.00 0.00 WT1 O ATOM 17654 H1 TIP3 5848 68.659 27.066 63.094 1.00 0.00 WT1 H ATOM 17655 H2 TIP3 5848 68.071 27.363 64.457 1.00 0.00 WT1 H ATOM 17656 OH2 TIP3 5850 79.221 73.588 -0.511 1.00 0.00 WT1 O ATOM 17657 H1 TIP3 5850 78.877 72.696 -0.468 1.00 0.00 WT1 H ATOM 17658 H2 TIP3 5850 78.550 74.082 -0.981 1.00 0.00 WT1 H ATOM 17659 OH2 TIP3 5851 24.875 47.111 35.434 1.00 0.00 WT1 O ATOM 17660 H1 TIP3 5851 24.339 46.914 34.666 1.00 0.00 WT1 H ATOM 17661 H2 TIP3 5851 25.208 47.995 35.274 1.00 0.00 WT1 H ATOM 17662 OH2 TIP3 5852 29.354 7.330 -5.816 1.00 0.00 WT1 O ATOM 17663 H1 TIP3 5852 29.858 7.724 -5.104 1.00 0.00 WT1 H ATOM 17664 H2 TIP3 5852 28.447 7.571 -5.630 1.00 0.00 WT1 H ATOM 17665 OH2 TIP3 5853 86.339 39.656 48.194 1.00 0.00 WT1 O ATOM 17666 H1 TIP3 5853 86.495 39.808 49.126 1.00 0.00 WT1 H ATOM 17667 H2 TIP3 5853 87.133 39.972 47.763 1.00 0.00 WT1 H ATOM 17668 OH2 TIP3 5854 67.824 72.151 30.476 1.00 0.00 WT1 O ATOM 17669 H1 TIP3 5854 67.104 72.013 29.860 1.00 0.00 WT1 H ATOM 17670 H2 TIP3 5854 68.275 71.308 30.512 1.00 0.00 WT1 H ATOM 17671 OH2 TIP3 5855 40.224 83.802 -11.383 1.00 0.00 WT1 O ATOM 17672 H1 TIP3 5855 40.599 83.163 -10.777 1.00 0.00 WT1 H ATOM 17673 H2 TIP3 5855 39.392 84.054 -10.981 1.00 0.00 WT1 H ATOM 17674 OH2 TIP3 5856 86.052 54.241 34.395 1.00 0.00 WT1 O ATOM 17675 H1 TIP3 5856 85.213 54.153 34.846 1.00 0.00 WT1 H ATOM 17676 H2 TIP3 5856 85.822 54.534 33.513 1.00 0.00 WT1 H ATOM 17677 OH2 TIP3 5857 42.321 67.996 54.672 1.00 0.00 WT1 O ATOM 17678 H1 TIP3 5857 42.733 68.557 55.328 1.00 0.00 WT1 H ATOM 17679 H2 TIP3 5857 42.116 67.187 55.142 1.00 0.00 WT1 H ATOM 17680 OH2 TIP3 5858 28.441 85.170 30.583 1.00 0.00 WT1 O ATOM 17681 H1 TIP3 5858 28.856 84.358 30.874 1.00 0.00 WT1 H ATOM 17682 H2 TIP3 5858 28.505 85.755 31.337 1.00 0.00 WT1 H ATOM 17683 OH2 TIP3 5859 30.903 87.249 0.342 1.00 0.00 WT1 O ATOM 17684 H1 TIP3 5859 30.702 88.185 0.347 1.00 0.00 WT1 H ATOM 17685 H2 TIP3 5859 31.423 87.110 1.134 1.00 0.00 WT1 H ATOM 17686 OH2 TIP3 5860 68.544 8.622 38.971 1.00 0.00 WT1 O ATOM 17687 H1 TIP3 5860 68.060 8.422 38.169 1.00 0.00 WT1 H ATOM 17688 H2 TIP3 5860 69.407 8.232 38.834 1.00 0.00 WT1 H ATOM 17689 OH2 TIP3 5861 29.642 2.941 28.836 1.00 0.00 WT1 O ATOM 17690 H1 TIP3 5861 28.738 3.164 28.614 1.00 0.00 WT1 H ATOM 17691 H2 TIP3 5861 30.170 3.386 28.173 1.00 0.00 WT1 H ATOM 17692 OH2 TIP3 5862 24.461 59.739 8.157 1.00 0.00 WT1 O ATOM 17693 H1 TIP3 5862 25.305 60.191 8.123 1.00 0.00 WT1 H ATOM 17694 H2 TIP3 5862 23.812 60.436 8.062 1.00 0.00 WT1 H ATOM 17695 OH2 TIP3 5863 60.764 88.962 3.000 1.00 0.00 WT1 O ATOM 17696 H1 TIP3 5863 60.965 88.891 2.067 1.00 0.00 WT1 H ATOM 17697 H2 TIP3 5863 60.031 88.361 3.135 1.00 0.00 WT1 H ATOM 17698 OH2 TIP3 5865 48.808 94.752 32.215 1.00 0.00 WT1 O ATOM 17699 H1 TIP3 5865 49.564 94.946 31.660 1.00 0.00 WT1 H ATOM 17700 H2 TIP3 5865 48.525 93.880 31.938 1.00 0.00 WT1 H ATOM 17701 OH2 TIP3 5866 44.610 38.593 58.520 1.00 0.00 WT1 O ATOM 17702 H1 TIP3 5866 44.263 39.483 58.448 1.00 0.00 WT1 H ATOM 17703 H2 TIP3 5866 44.328 38.160 57.714 1.00 0.00 WT1 H ATOM 17704 OH2 TIP3 5867 81.279 87.333 26.921 1.00 0.00 WT1 O ATOM 17705 H1 TIP3 5867 80.693 86.600 27.108 1.00 0.00 WT1 H ATOM 17706 H2 TIP3 5867 81.572 87.184 26.022 1.00 0.00 WT1 H ATOM 17707 OH2 TIP3 5868 36.288 96.464 57.021 1.00 0.00 WT1 O ATOM 17708 H1 TIP3 5868 35.746 96.583 57.801 1.00 0.00 WT1 H ATOM 17709 H2 TIP3 5868 36.038 95.603 56.685 1.00 0.00 WT1 H ATOM 17710 OH2 TIP3 5869 29.198 33.454 12.663 1.00 0.00 WT1 O ATOM 17711 H1 TIP3 5869 29.031 33.234 11.746 1.00 0.00 WT1 H ATOM 17712 H2 TIP3 5869 29.892 34.112 12.630 1.00 0.00 WT1 H ATOM 17713 OH2 TIP3 5871 54.079 32.803 -4.020 1.00 0.00 WT1 O ATOM 17714 H1 TIP3 5871 53.172 33.049 -4.201 1.00 0.00 WT1 H ATOM 17715 H2 TIP3 5871 54.101 32.640 -3.077 1.00 0.00 WT1 H ATOM 17716 OH2 TIP3 5872 32.779 39.052 -5.724 1.00 0.00 WT1 O ATOM 17717 H1 TIP3 5872 33.648 39.357 -5.460 1.00 0.00 WT1 H ATOM 17718 H2 TIP3 5872 32.226 39.215 -4.960 1.00 0.00 WT1 H ATOM 17719 OH2 TIP3 5873 26.323 41.290 -12.347 1.00 0.00 WT1 O ATOM 17720 H1 TIP3 5873 27.106 41.837 -12.395 1.00 0.00 WT1 H ATOM 17721 H2 TIP3 5873 26.657 40.404 -12.205 1.00 0.00 WT1 H ATOM 17722 OH2 TIP3 5874 52.269 83.039 -9.930 1.00 0.00 WT1 O ATOM 17723 H1 TIP3 5874 52.145 82.258 -10.468 1.00 0.00 WT1 H ATOM 17724 H2 TIP3 5874 51.522 83.040 -9.331 1.00 0.00 WT1 H ATOM 17725 OH2 TIP3 5875 63.998 86.361 3.324 1.00 0.00 WT1 O ATOM 17726 H1 TIP3 5875 63.347 86.820 3.855 1.00 0.00 WT1 H ATOM 17727 H2 TIP3 5875 64.717 86.986 3.232 1.00 0.00 WT1 H ATOM 17728 OH2 TIP3 5876 77.526 12.394 58.096 1.00 0.00 WT1 O ATOM 17729 H1 TIP3 5876 77.702 12.929 57.322 1.00 0.00 WT1 H ATOM 17730 H2 TIP3 5876 77.459 11.500 57.760 1.00 0.00 WT1 H ATOM 17731 OH2 TIP3 5877 35.874 3.029 43.053 1.00 0.00 WT1 O ATOM 17732 H1 TIP3 5877 36.463 2.320 42.796 1.00 0.00 WT1 H ATOM 17733 H2 TIP3 5877 35.874 3.624 42.304 1.00 0.00 WT1 H ATOM 17734 OH2 TIP3 5878 60.227 34.922 62.439 1.00 0.00 WT1 O ATOM 17735 H1 TIP3 5878 59.741 35.745 62.488 1.00 0.00 WT1 H ATOM 17736 H2 TIP3 5878 60.833 34.957 63.180 1.00 0.00 WT1 H ATOM 17737 OH2 TIP3 5879 35.457 26.041 46.369 1.00 0.00 WT1 O ATOM 17738 H1 TIP3 5879 34.845 25.314 46.488 1.00 0.00 WT1 H ATOM 17739 H2 TIP3 5879 36.303 25.689 46.645 1.00 0.00 WT1 H ATOM 17740 OH2 TIP3 5880 51.365 90.639 -6.581 1.00 0.00 WT1 O ATOM 17741 H1 TIP3 5880 51.092 89.772 -6.879 1.00 0.00 WT1 H ATOM 17742 H2 TIP3 5880 50.546 91.098 -6.394 1.00 0.00 WT1 H ATOM 17743 OH2 TIP3 5881 72.868 72.492 -2.153 1.00 0.00 WT1 O ATOM 17744 H1 TIP3 5881 71.937 72.275 -2.104 1.00 0.00 WT1 H ATOM 17745 H2 TIP3 5881 73.299 71.826 -1.617 1.00 0.00 WT1 H ATOM 17746 OH2 TIP3 5882 84.207 86.516 25.358 1.00 0.00 WT1 O ATOM 17747 H1 TIP3 5882 84.027 85.847 26.018 1.00 0.00 WT1 H ATOM 17748 H2 TIP3 5882 83.992 87.343 25.788 1.00 0.00 WT1 H ATOM 17749 OH2 TIP3 5883 83.753 76.067 3.679 1.00 0.00 WT1 O ATOM 17750 H1 TIP3 5883 83.861 77.014 3.601 1.00 0.00 WT1 H ATOM 17751 H2 TIP3 5883 84.625 75.743 3.904 1.00 0.00 WT1 H ATOM 17752 OH2 TIP3 5884 81.682 76.551 -16.216 1.00 0.00 WT1 O ATOM 17753 H1 TIP3 5884 82.065 75.866 -16.764 1.00 0.00 WT1 H ATOM 17754 H2 TIP3 5884 80.738 76.454 -16.334 1.00 0.00 WT1 H ATOM 17755 OH2 TIP3 5885 30.206 7.339 14.752 1.00 0.00 WT1 O ATOM 17756 H1 TIP3 5885 30.593 6.670 15.317 1.00 0.00 WT1 H ATOM 17757 H2 TIP3 5885 29.703 7.894 15.347 1.00 0.00 WT1 H ATOM 17758 OH2 TIP3 5886 73.841 18.436 -0.093 1.00 0.00 WT1 O ATOM 17759 H1 TIP3 5886 73.933 19.017 0.662 1.00 0.00 WT1 H ATOM 17760 H2 TIP3 5886 74.268 17.623 0.177 1.00 0.00 WT1 H ATOM 17761 OH2 TIP3 5887 63.926 53.023 12.392 1.00 0.00 WT1 O ATOM 17762 H1 TIP3 5887 63.445 53.190 13.203 1.00 0.00 WT1 H ATOM 17763 H2 TIP3 5887 63.323 52.506 11.858 1.00 0.00 WT1 H ATOM 17764 OH2 TIP3 5888 50.601 0.378 48.676 1.00 0.00 WT1 O ATOM 17765 H1 TIP3 5888 50.079 1.066 49.089 1.00 0.00 WT1 H ATOM 17766 H2 TIP3 5888 50.239 0.300 47.793 1.00 0.00 WT1 H ATOM 17767 OH2 TIP3 5889 41.876 31.699 -9.318 1.00 0.00 WT1 O ATOM 17768 H1 TIP3 5889 41.707 31.856 -8.389 1.00 0.00 WT1 H ATOM 17769 H2 TIP3 5889 41.070 31.971 -9.757 1.00 0.00 WT1 H ATOM 17770 OH2 TIP3 5890 70.525 79.709 45.451 1.00 0.00 WT1 O ATOM 17771 H1 TIP3 5890 70.275 78.884 45.867 1.00 0.00 WT1 H ATOM 17772 H2 TIP3 5890 69.793 80.299 45.630 1.00 0.00 WT1 H ATOM 17773 OH2 TIP3 5891 58.213 85.023 19.770 1.00 0.00 WT1 O ATOM 17774 H1 TIP3 5891 57.326 84.855 20.087 1.00 0.00 WT1 H ATOM 17775 H2 TIP3 5891 58.564 85.678 20.374 1.00 0.00 WT1 H ATOM 17776 OH2 TIP3 5893 54.103 31.373 17.177 1.00 0.00 WT1 O ATOM 17777 H1 TIP3 5893 54.206 31.666 18.082 1.00 0.00 WT1 H ATOM 17778 H2 TIP3 5893 53.249 30.942 17.159 1.00 0.00 WT1 H ATOM 17779 OH2 TIP3 5894 24.663 57.718 61.572 1.00 0.00 WT1 O ATOM 17780 H1 TIP3 5894 24.192 58.344 61.022 1.00 0.00 WT1 H ATOM 17781 H2 TIP3 5894 24.519 56.871 61.150 1.00 0.00 WT1 H ATOM 17782 OH2 TIP3 5896 80.166 54.421 -11.329 1.00 0.00 WT1 O ATOM 17783 H1 TIP3 5896 80.142 54.335 -10.376 1.00 0.00 WT1 H ATOM 17784 H2 TIP3 5896 80.855 53.817 -11.607 1.00 0.00 WT1 H ATOM 17785 OH2 TIP3 5897 21.504 26.973 65.075 1.00 0.00 WT1 O ATOM 17786 H1 TIP3 5897 20.777 26.352 65.117 1.00 0.00 WT1 H ATOM 17787 H2 TIP3 5897 21.565 27.332 65.960 1.00 0.00 WT1 H ATOM 17788 OH2 TIP3 5898 59.693 89.045 40.943 1.00 0.00 WT1 O ATOM 17789 H1 TIP3 5898 60.100 88.181 40.998 1.00 0.00 WT1 H ATOM 17790 H2 TIP3 5898 58.760 88.880 41.083 1.00 0.00 WT1 H ATOM 17791 OH2 TIP3 5899 40.954 -0.103 -16.161 1.00 0.00 WT1 O ATOM 17792 H1 TIP3 5899 40.394 0.246 -16.855 1.00 0.00 WT1 H ATOM 17793 H2 TIP3 5899 40.445 0.016 -15.359 1.00 0.00 WT1 H ATOM 17794 OH2 TIP3 5900 30.021 36.114 55.230 1.00 0.00 WT1 O ATOM 17795 H1 TIP3 5900 29.480 36.903 55.275 1.00 0.00 WT1 H ATOM 17796 H2 TIP3 5900 29.920 35.704 56.089 1.00 0.00 WT1 H ATOM 17797 OH2 TIP3 5901 47.377 14.248 -18.269 1.00 0.00 WT1 O ATOM 17798 H1 TIP3 5901 47.016 15.075 -18.589 1.00 0.00 WT1 H ATOM 17799 H2 TIP3 5901 47.020 13.585 -18.860 1.00 0.00 WT1 H ATOM 17800 OH2 TIP3 5902 44.646 49.588 36.791 1.00 0.00 WT1 O ATOM 17801 H1 TIP3 5902 44.188 49.009 36.182 1.00 0.00 WT1 H ATOM 17802 H2 TIP3 5902 44.929 50.327 36.253 1.00 0.00 WT1 H ATOM 17803 OH2 TIP3 5903 25.854 20.979 12.034 1.00 0.00 WT1 O ATOM 17804 H1 TIP3 5903 26.201 21.197 12.899 1.00 0.00 WT1 H ATOM 17805 H2 TIP3 5903 25.023 20.538 12.213 1.00 0.00 WT1 H ATOM 17806 OH2 TIP3 5904 51.063 53.672 -3.192 1.00 0.00 WT1 O ATOM 17807 H1 TIP3 5904 51.329 53.672 -2.272 1.00 0.00 WT1 H ATOM 17808 H2 TIP3 5904 51.742 54.178 -3.638 1.00 0.00 WT1 H ATOM 17809 OH2 TIP3 5906 69.249 81.888 37.137 1.00 0.00 WT1 O ATOM 17810 H1 TIP3 5906 68.359 82.135 36.887 1.00 0.00 WT1 H ATOM 17811 H2 TIP3 5906 69.403 81.058 36.686 1.00 0.00 WT1 H ATOM 17812 OH2 TIP3 5907 50.155 3.672 64.158 1.00 0.00 WT1 O ATOM 17813 H1 TIP3 5907 49.960 3.715 65.094 1.00 0.00 WT1 H ATOM 17814 H2 TIP3 5907 50.862 3.030 64.090 1.00 0.00 WT1 H ATOM 17815 OH2 TIP3 5909 58.900 6.617 12.936 1.00 0.00 WT1 O ATOM 17816 H1 TIP3 5909 58.243 7.313 12.919 1.00 0.00 WT1 H ATOM 17817 H2 TIP3 5909 58.394 5.812 13.042 1.00 0.00 WT1 H ATOM 17818 OH2 TIP3 5911 41.351 15.749 -15.751 1.00 0.00 WT1 O ATOM 17819 H1 TIP3 5911 41.959 16.429 -15.461 1.00 0.00 WT1 H ATOM 17820 H2 TIP3 5911 41.206 15.209 -14.973 1.00 0.00 WT1 H ATOM 17821 OH2 TIP3 5912 66.841 89.032 57.872 1.00 0.00 WT1 O ATOM 17822 H1 TIP3 5912 66.021 88.602 57.629 1.00 0.00 WT1 H ATOM 17823 H2 TIP3 5912 66.573 89.763 58.430 1.00 0.00 WT1 H ATOM 17824 OH2 TIP3 5914 49.459 10.056 20.261 1.00 0.00 WT1 O ATOM 17825 H1 TIP3 5914 49.070 10.839 19.874 1.00 0.00 WT1 H ATOM 17826 H2 TIP3 5914 48.711 9.517 20.518 1.00 0.00 WT1 H ATOM 17827 OH2 TIP3 5915 45.994 18.992 -8.501 1.00 0.00 WT1 O ATOM 17828 H1 TIP3 5915 45.087 19.109 -8.784 1.00 0.00 WT1 H ATOM 17829 H2 TIP3 5915 45.928 18.761 -7.574 1.00 0.00 WT1 H ATOM 17830 OH2 TIP3 5916 53.128 86.782 48.881 1.00 0.00 WT1 O ATOM 17831 H1 TIP3 5916 53.505 86.273 49.599 1.00 0.00 WT1 H ATOM 17832 H2 TIP3 5916 53.883 87.175 48.443 1.00 0.00 WT1 H ATOM 17833 OH2 TIP3 5917 46.606 89.827 19.047 1.00 0.00 WT1 O ATOM 17834 H1 TIP3 5917 47.534 90.063 19.045 1.00 0.00 WT1 H ATOM 17835 H2 TIP3 5917 46.464 89.407 18.198 1.00 0.00 WT1 H ATOM 17836 OH2 TIP3 5919 49.732 92.034 63.561 1.00 0.00 WT1 O ATOM 17837 H1 TIP3 5919 49.375 91.663 62.755 1.00 0.00 WT1 H ATOM 17838 H2 TIP3 5919 49.734 92.979 63.411 1.00 0.00 WT1 H ATOM 17839 OH2 TIP3 5920 50.484 44.783 62.748 1.00 0.00 WT1 O ATOM 17840 H1 TIP3 5920 49.876 45.502 62.923 1.00 0.00 WT1 H ATOM 17841 H2 TIP3 5920 50.362 44.586 61.820 1.00 0.00 WT1 H ATOM 17842 OH2 TIP3 5921 46.198 12.142 47.923 1.00 0.00 WT1 O ATOM 17843 H1 TIP3 5921 47.017 11.944 47.469 1.00 0.00 WT1 H ATOM 17844 H2 TIP3 5921 45.617 12.470 47.237 1.00 0.00 WT1 H ATOM 17845 OH2 TIP3 5923 41.607 88.576 -7.590 1.00 0.00 WT1 O ATOM 17846 H1 TIP3 5923 41.677 88.698 -6.643 1.00 0.00 WT1 H ATOM 17847 H2 TIP3 5923 40.896 89.159 -7.855 1.00 0.00 WT1 H ATOM 17848 OH2 TIP3 5924 74.140 53.998 -0.327 1.00 0.00 WT1 O ATOM 17849 H1 TIP3 5924 73.227 53.710 -0.352 1.00 0.00 WT1 H ATOM 17850 H2 TIP3 5924 74.095 54.912 -0.046 1.00 0.00 WT1 H ATOM 17851 OH2 TIP3 5925 56.407 86.214 0.277 1.00 0.00 WT1 O ATOM 17852 H1 TIP3 5925 55.958 86.576 -0.487 1.00 0.00 WT1 H ATOM 17853 H2 TIP3 5925 56.215 86.832 0.982 1.00 0.00 WT1 H ATOM 17854 OH2 TIP3 5926 73.124 60.957 18.123 1.00 0.00 WT1 O ATOM 17855 H1 TIP3 5926 73.556 60.543 17.376 1.00 0.00 WT1 H ATOM 17856 H2 TIP3 5926 72.482 60.311 18.417 1.00 0.00 WT1 H ATOM 17857 OH2 TIP3 5927 63.360 31.318 32.721 1.00 0.00 WT1 O ATOM 17858 H1 TIP3 5927 63.705 30.647 32.132 1.00 0.00 WT1 H ATOM 17859 H2 TIP3 5927 62.872 31.911 32.149 1.00 0.00 WT1 H ATOM 17860 OH2 TIP3 5928 80.301 43.226 7.817 1.00 0.00 WT1 O ATOM 17861 H1 TIP3 5928 80.525 44.066 8.218 1.00 0.00 WT1 H ATOM 17862 H2 TIP3 5928 79.640 42.851 8.400 1.00 0.00 WT1 H ATOM 17863 OH2 TIP3 5929 37.591 76.437 20.337 1.00 0.00 WT1 O ATOM 17864 H1 TIP3 5929 37.165 76.058 21.106 1.00 0.00 WT1 H ATOM 17865 H2 TIP3 5929 38.349 75.874 20.180 1.00 0.00 WT1 H ATOM 17866 OH2 TIP3 5930 40.483 43.506 41.819 1.00 0.00 WT1 O ATOM 17867 H1 TIP3 5930 40.107 42.630 41.904 1.00 0.00 WT1 H ATOM 17868 H2 TIP3 5930 40.438 43.696 40.882 1.00 0.00 WT1 H ATOM 17869 OH2 TIP3 5931 86.042 55.712 66.344 1.00 0.00 WT1 O ATOM 17870 H1 TIP3 5931 86.016 55.316 65.473 1.00 0.00 WT1 H ATOM 17871 H2 TIP3 5931 86.356 55.013 66.917 1.00 0.00 WT1 H ATOM 17872 OH2 TIP3 5932 57.122 32.093 37.737 1.00 0.00 WT1 O ATOM 17873 H1 TIP3 5932 57.237 32.904 37.242 1.00 0.00 WT1 H ATOM 17874 H2 TIP3 5932 57.900 31.574 37.531 1.00 0.00 WT1 H ATOM 17875 OH2 TIP3 5934 30.199 47.937 28.682 1.00 0.00 WT1 O ATOM 17876 H1 TIP3 5934 29.859 47.554 29.491 1.00 0.00 WT1 H ATOM 17877 H2 TIP3 5934 31.087 47.588 28.607 1.00 0.00 WT1 H ATOM 17878 OH2 TIP3 5936 37.011 34.668 5.459 1.00 0.00 WT1 O ATOM 17879 H1 TIP3 5936 36.957 33.937 6.074 1.00 0.00 WT1 H ATOM 17880 H2 TIP3 5936 37.473 35.354 5.942 1.00 0.00 WT1 H ATOM 17881 OH2 TIP3 5937 78.476 39.396 13.140 1.00 0.00 WT1 O ATOM 17882 H1 TIP3 5937 77.818 39.294 12.453 1.00 0.00 WT1 H ATOM 17883 H2 TIP3 5937 78.188 40.163 13.637 1.00 0.00 WT1 H ATOM 17884 OH2 TIP3 5939 26.170 40.418 20.752 1.00 0.00 WT1 O ATOM 17885 H1 TIP3 5939 26.516 41.308 20.822 1.00 0.00 WT1 H ATOM 17886 H2 TIP3 5939 25.942 40.321 19.827 1.00 0.00 WT1 H ATOM 17887 OH2 TIP3 5941 29.867 51.515 28.568 1.00 0.00 WT1 O ATOM 17888 H1 TIP3 5941 29.659 51.586 27.636 1.00 0.00 WT1 H ATOM 17889 H2 TIP3 5941 30.713 51.953 28.659 1.00 0.00 WT1 H ATOM 17890 OH2 TIP3 5942 90.754 96.355 41.004 1.00 0.00 WT1 O ATOM 17891 H1 TIP3 5942 91.198 95.985 41.767 1.00 0.00 WT1 H ATOM 17892 H2 TIP3 5942 90.291 95.614 40.613 1.00 0.00 WT1 H ATOM 17893 OH2 TIP3 5943 46.583 93.344 28.404 1.00 0.00 WT1 O ATOM 17894 H1 TIP3 5943 47.097 92.541 28.318 1.00 0.00 WT1 H ATOM 17895 H2 TIP3 5943 45.986 93.168 29.132 1.00 0.00 WT1 H ATOM 17896 OH2 TIP3 5944 51.922 23.603 35.146 1.00 0.00 WT1 O ATOM 17897 H1 TIP3 5944 51.241 23.073 34.732 1.00 0.00 WT1 H ATOM 17898 H2 TIP3 5944 51.501 24.445 35.317 1.00 0.00 WT1 H ATOM 17899 OH2 TIP3 5945 82.710 71.291 55.868 1.00 0.00 WT1 O ATOM 17900 H1 TIP3 5945 82.045 70.681 55.549 1.00 0.00 WT1 H ATOM 17901 H2 TIP3 5945 83.479 71.113 55.327 1.00 0.00 WT1 H ATOM 17902 OH2 TIP3 5946 25.644 24.522 -8.271 1.00 0.00 WT1 O ATOM 17903 H1 TIP3 5946 26.025 23.837 -7.721 1.00 0.00 WT1 H ATOM 17904 H2 TIP3 5946 26.062 25.330 -7.973 1.00 0.00 WT1 H ATOM 17905 OH2 TIP3 5947 38.444 29.961 -3.694 1.00 0.00 WT1 O ATOM 17906 H1 TIP3 5947 38.841 30.264 -2.878 1.00 0.00 WT1 H ATOM 17907 H2 TIP3 5947 37.508 29.901 -3.498 1.00 0.00 WT1 H ATOM 17908 OH2 TIP3 5948 38.420 60.989 -16.777 1.00 0.00 WT1 O ATOM 17909 H1 TIP3 5948 38.606 60.056 -16.670 1.00 0.00 WT1 H ATOM 17910 H2 TIP3 5948 37.913 61.223 -16.000 1.00 0.00 WT1 H ATOM 17911 OH2 TIP3 5949 49.799 55.799 5.000 1.00 0.00 WT1 O ATOM 17912 H1 TIP3 5949 49.459 56.676 5.178 1.00 0.00 WT1 H ATOM 17913 H2 TIP3 5949 50.750 55.899 5.030 1.00 0.00 WT1 H ATOM 17914 OH2 TIP3 5950 53.042 24.333 -8.627 1.00 0.00 WT1 O ATOM 17915 H1 TIP3 5950 53.926 24.074 -8.889 1.00 0.00 WT1 H ATOM 17916 H2 TIP3 5950 52.465 23.758 -9.129 1.00 0.00 WT1 H ATOM 17917 OH2 TIP3 5951 23.602 45.379 16.881 1.00 0.00 WT1 O ATOM 17918 H1 TIP3 5951 23.969 44.496 16.921 1.00 0.00 WT1 H ATOM 17919 H2 TIP3 5951 24.357 45.945 16.717 1.00 0.00 WT1 H ATOM 17920 OH2 TIP3 5952 28.276 24.351 -19.835 1.00 0.00 WT1 O ATOM 17921 H1 TIP3 5952 28.329 24.412 -18.881 1.00 0.00 WT1 H ATOM 17922 H2 TIP3 5952 27.604 23.689 -19.996 1.00 0.00 WT1 H ATOM 17923 OH2 TIP3 5953 82.814 60.345 1.731 1.00 0.00 WT1 O ATOM 17924 H1 TIP3 5953 82.467 59.625 2.257 1.00 0.00 WT1 H ATOM 17925 H2 TIP3 5953 82.522 60.153 0.840 1.00 0.00 WT1 H ATOM 17926 OH2 TIP3 5954 71.513 19.900 41.437 1.00 0.00 WT1 O ATOM 17927 H1 TIP3 5954 72.086 20.660 41.532 1.00 0.00 WT1 H ATOM 17928 H2 TIP3 5954 71.049 20.050 40.613 1.00 0.00 WT1 H ATOM 17929 OH2 TIP3 5955 70.947 9.325 -3.445 1.00 0.00 WT1 O ATOM 17930 H1 TIP3 5955 70.905 9.065 -2.525 1.00 0.00 WT1 H ATOM 17931 H2 TIP3 5955 71.532 8.684 -3.849 1.00 0.00 WT1 H ATOM 17932 OH2 TIP3 5956 52.941 47.128 52.312 1.00 0.00 WT1 O ATOM 17933 H1 TIP3 5956 52.305 46.621 51.807 1.00 0.00 WT1 H ATOM 17934 H2 TIP3 5956 52.949 47.988 51.891 1.00 0.00 WT1 H ATOM 17935 OH2 TIP3 5957 79.447 20.698 57.911 1.00 0.00 WT1 O ATOM 17936 H1 TIP3 5957 80.125 21.291 57.586 1.00 0.00 WT1 H ATOM 17937 H2 TIP3 5957 79.766 19.823 57.690 1.00 0.00 WT1 H ATOM 17938 OH2 TIP3 5958 39.159 14.902 41.859 1.00 0.00 WT1 O ATOM 17939 H1 TIP3 5958 38.578 15.660 41.798 1.00 0.00 WT1 H ATOM 17940 H2 TIP3 5958 38.852 14.309 41.174 1.00 0.00 WT1 H ATOM 17941 OH2 TIP3 5959 68.874 48.163 -10.323 1.00 0.00 WT1 O ATOM 17942 H1 TIP3 5959 69.545 48.217 -9.642 1.00 0.00 WT1 H ATOM 17943 H2 TIP3 5959 68.288 48.898 -10.141 1.00 0.00 WT1 H ATOM 17944 OH2 TIP3 5960 22.368 21.072 37.420 1.00 0.00 WT1 O ATOM 17945 H1 TIP3 5960 22.011 20.665 36.631 1.00 0.00 WT1 H ATOM 17946 H2 TIP3 5960 22.542 21.978 37.165 1.00 0.00 WT1 H ATOM 17947 OH2 TIP3 5961 37.652 47.678 26.065 1.00 0.00 WT1 O ATOM 17948 H1 TIP3 5961 36.790 47.449 26.413 1.00 0.00 WT1 H ATOM 17949 H2 TIP3 5961 37.999 46.855 25.722 1.00 0.00 WT1 H ATOM 17950 OH2 TIP3 5963 75.546 21.883 12.894 1.00 0.00 WT1 O ATOM 17951 H1 TIP3 5963 76.400 22.103 12.522 1.00 0.00 WT1 H ATOM 17952 H2 TIP3 5963 75.511 20.927 12.866 1.00 0.00 WT1 H ATOM 17953 OH2 TIP3 5965 87.149 65.618 55.766 1.00 0.00 WT1 O ATOM 17954 H1 TIP3 5965 86.421 65.189 55.316 1.00 0.00 WT1 H ATOM 17955 H2 TIP3 5965 86.994 65.442 56.694 1.00 0.00 WT1 H ATOM 17956 OH2 TIP3 5966 63.137 78.411 23.512 1.00 0.00 WT1 O ATOM 17957 H1 TIP3 5966 63.102 77.734 24.187 1.00 0.00 WT1 H ATOM 17958 H2 TIP3 5966 64.071 78.562 23.370 1.00 0.00 WT1 H ATOM 17959 OH2 TIP3 5968 39.217 82.359 -13.268 1.00 0.00 WT1 O ATOM 17960 H1 TIP3 5968 39.455 82.968 -12.568 1.00 0.00 WT1 H ATOM 17961 H2 TIP3 5968 39.582 81.519 -12.991 1.00 0.00 WT1 H ATOM 17962 OH2 TIP3 5969 32.482 66.388 54.938 1.00 0.00 WT1 O ATOM 17963 H1 TIP3 5969 33.426 66.231 54.938 1.00 0.00 WT1 H ATOM 17964 H2 TIP3 5969 32.097 65.538 54.726 1.00 0.00 WT1 H ATOM 17965 OH2 TIP3 5970 77.692 31.728 21.958 1.00 0.00 WT1 O ATOM 17966 H1 TIP3 5970 77.722 30.955 21.393 1.00 0.00 WT1 H ATOM 17967 H2 TIP3 5970 76.762 31.946 22.017 1.00 0.00 WT1 H ATOM 17968 OH2 TIP3 5971 61.049 11.886 43.145 1.00 0.00 WT1 O ATOM 17969 H1 TIP3 5971 60.799 12.592 43.740 1.00 0.00 WT1 H ATOM 17970 H2 TIP3 5971 60.402 11.199 43.302 1.00 0.00 WT1 H ATOM 17971 OH2 TIP3 5972 44.424 42.785 43.955 1.00 0.00 WT1 O ATOM 17972 H1 TIP3 5972 45.203 43.123 43.513 1.00 0.00 WT1 H ATOM 17973 H2 TIP3 5972 43.722 43.382 43.694 1.00 0.00 WT1 H ATOM 17974 OH2 TIP3 5973 31.636 46.082 -4.997 1.00 0.00 WT1 O ATOM 17975 H1 TIP3 5973 31.708 46.335 -4.077 1.00 0.00 WT1 H ATOM 17976 H2 TIP3 5973 30.865 46.551 -5.315 1.00 0.00 WT1 H ATOM 17977 OH2 TIP3 5974 31.167 43.974 42.548 1.00 0.00 WT1 O ATOM 17978 H1 TIP3 5974 31.737 44.552 42.040 1.00 0.00 WT1 H ATOM 17979 H2 TIP3 5974 30.478 44.549 42.881 1.00 0.00 WT1 H ATOM 17980 OH2 TIP3 5975 33.865 26.578 43.868 1.00 0.00 WT1 O ATOM 17981 H1 TIP3 5975 34.257 27.175 43.231 1.00 0.00 WT1 H ATOM 17982 H2 TIP3 5975 34.520 26.504 44.562 1.00 0.00 WT1 H ATOM 17983 OH2 TIP3 5977 80.253 59.214 5.650 1.00 0.00 WT1 O ATOM 17984 H1 TIP3 5977 79.414 59.045 5.222 1.00 0.00 WT1 H ATOM 17985 H2 TIP3 5977 80.300 60.168 5.716 1.00 0.00 WT1 H ATOM 17986 OH2 TIP3 5978 43.726 50.869 46.012 1.00 0.00 WT1 O ATOM 17987 H1 TIP3 5978 44.105 51.724 45.809 1.00 0.00 WT1 H ATOM 17988 H2 TIP3 5978 44.453 50.365 46.377 1.00 0.00 WT1 H ATOM 17989 OH2 TIP3 5979 54.443 4.682 -15.362 1.00 0.00 WT1 O ATOM 17990 H1 TIP3 5979 54.576 4.840 -14.428 1.00 0.00 WT1 H ATOM 17991 H2 TIP3 5979 54.656 3.757 -15.482 1.00 0.00 WT1 H ATOM 17992 OH2 TIP3 5980 25.190 46.714 -8.292 1.00 0.00 WT1 O ATOM 17993 H1 TIP3 5980 25.640 46.738 -9.136 1.00 0.00 WT1 H ATOM 17994 H2 TIP3 5980 25.461 47.520 -7.852 1.00 0.00 WT1 H ATOM 17995 OH2 TIP3 5981 87.086 49.569 8.840 1.00 0.00 WT1 O ATOM 17996 H1 TIP3 5981 86.675 49.123 9.580 1.00 0.00 WT1 H ATOM 17997 H2 TIP3 5981 87.028 50.499 9.059 1.00 0.00 WT1 H ATOM 17998 OH2 TIP3 5982 60.527 27.705 -0.647 1.00 0.00 WT1 O ATOM 17999 H1 TIP3 5982 60.344 26.775 -0.518 1.00 0.00 WT1 H ATOM 18000 H2 TIP3 5982 60.980 27.973 0.153 1.00 0.00 WT1 H ATOM 18001 OH2 TIP3 5983 66.530 85.762 32.510 1.00 0.00 WT1 O ATOM 18002 H1 TIP3 5983 66.958 85.634 31.664 1.00 0.00 WT1 H ATOM 18003 H2 TIP3 5983 65.834 86.396 32.334 1.00 0.00 WT1 H ATOM 18004 OH2 TIP3 5986 72.862 80.707 53.571 1.00 0.00 WT1 O ATOM 18005 H1 TIP3 5986 73.266 79.840 53.526 1.00 0.00 WT1 H ATOM 18006 H2 TIP3 5986 71.921 80.535 53.549 1.00 0.00 WT1 H ATOM 18007 OH2 TIP3 5987 38.420 73.767 -11.809 1.00 0.00 WT1 O ATOM 18008 H1 TIP3 5987 37.967 74.112 -11.040 1.00 0.00 WT1 H ATOM 18009 H2 TIP3 5987 39.339 73.723 -11.546 1.00 0.00 WT1 H ATOM 18010 OH2 TIP3 5988 59.167 66.220 55.873 1.00 0.00 WT1 O ATOM 18011 H1 TIP3 5988 59.192 66.383 54.930 1.00 0.00 WT1 H ATOM 18012 H2 TIP3 5988 58.357 65.728 56.010 1.00 0.00 WT1 H ATOM 18013 OH2 TIP3 5989 62.068 37.628 42.784 1.00 0.00 WT1 O ATOM 18014 H1 TIP3 5989 62.520 37.435 41.963 1.00 0.00 WT1 H ATOM 18015 H2 TIP3 5989 61.138 37.537 42.572 1.00 0.00 WT1 H ATOM 18016 OH2 TIP3 5990 47.555 11.328 -14.868 1.00 0.00 WT1 O ATOM 18017 H1 TIP3 5990 47.741 12.133 -15.351 1.00 0.00 WT1 H ATOM 18018 H2 TIP3 5990 47.285 11.627 -13.999 1.00 0.00 WT1 H ATOM 18019 OH2 TIP3 5991 43.274 44.818 16.951 1.00 0.00 WT1 O ATOM 18020 H1 TIP3 5991 43.755 45.541 16.550 1.00 0.00 WT1 H ATOM 18021 H2 TIP3 5991 42.613 45.243 17.498 1.00 0.00 WT1 H ATOM 18022 OH2 TIP3 5992 33.798 47.553 -5.888 1.00 0.00 WT1 O ATOM 18023 H1 TIP3 5992 33.791 48.267 -5.250 1.00 0.00 WT1 H ATOM 18024 H2 TIP3 5992 33.187 46.907 -5.533 1.00 0.00 WT1 H ATOM 18025 OH2 TIP3 5993 87.374 28.866 46.093 1.00 0.00 WT1 O ATOM 18026 H1 TIP3 5993 87.180 29.231 46.957 1.00 0.00 WT1 H ATOM 18027 H2 TIP3 5993 87.806 28.032 46.277 1.00 0.00 WT1 H ATOM 18028 OH2 TIP3 5994 31.146 0.924 33.584 1.00 0.00 WT1 O ATOM 18029 H1 TIP3 5994 30.250 1.128 33.314 1.00 0.00 WT1 H ATOM 18030 H2 TIP3 5994 31.044 0.294 34.297 1.00 0.00 WT1 H ATOM 18031 OH2 TIP3 5995 69.532 74.082 34.028 1.00 0.00 WT1 O ATOM 18032 H1 TIP3 5995 68.729 73.866 33.552 1.00 0.00 WT1 H ATOM 18033 H2 TIP3 5995 69.381 74.965 34.364 1.00 0.00 WT1 H ATOM 18034 OH2 TIP3 5996 78.432 32.949 17.108 1.00 0.00 WT1 O ATOM 18035 H1 TIP3 5996 79.379 33.075 17.052 1.00 0.00 WT1 H ATOM 18036 H2 TIP3 5996 78.293 32.044 16.827 1.00 0.00 WT1 H ATOM 18037 OH2 TIP3 5997 53.770 46.901 -14.495 1.00 0.00 WT1 O ATOM 18038 H1 TIP3 5997 53.379 46.769 -13.631 1.00 0.00 WT1 H ATOM 18039 H2 TIP3 5997 54.624 46.472 -14.440 1.00 0.00 WT1 H ATOM 18040 OH2 TIP3 5998 56.734 33.448 52.305 1.00 0.00 WT1 O ATOM 18041 H1 TIP3 5998 56.353 34.265 51.981 1.00 0.00 WT1 H ATOM 18042 H2 TIP3 5998 56.423 32.780 51.693 1.00 0.00 WT1 H ATOM 18043 OH2 TIP3 5999 62.641 62.512 -16.152 1.00 0.00 WT1 O ATOM 18044 H1 TIP3 5999 63.107 61.769 -15.768 1.00 0.00 WT1 H ATOM 18045 H2 TIP3 5999 62.414 63.065 -15.404 1.00 0.00 WT1 H ATOM 18046 OH2 TIP3 6001 63.400 47.895 -12.362 1.00 0.00 WT1 O ATOM 18047 H1 TIP3 6001 63.101 47.037 -12.062 1.00 0.00 WT1 H ATOM 18048 H2 TIP3 6001 63.444 48.426 -11.567 1.00 0.00 WT1 H ATOM 18049 OH2 TIP3 6004 72.178 15.609 60.314 1.00 0.00 WT1 O ATOM 18050 H1 TIP3 6004 72.897 16.185 60.052 1.00 0.00 WT1 H ATOM 18051 H2 TIP3 6004 72.505 14.725 60.145 1.00 0.00 WT1 H ATOM 18052 OH2 TIP3 6006 75.951 64.461 66.104 1.00 0.00 WT1 O ATOM 18053 H1 TIP3 6006 76.428 64.012 65.406 1.00 0.00 WT1 H ATOM 18054 H2 TIP3 6006 75.761 63.775 66.744 1.00 0.00 WT1 H ATOM 18055 OH2 TIP3 6007 73.487 36.154 8.262 1.00 0.00 WT1 O ATOM 18056 H1 TIP3 6007 73.535 35.225 8.488 1.00 0.00 WT1 H ATOM 18057 H2 TIP3 6007 73.100 36.569 9.033 1.00 0.00 WT1 H ATOM 18058 OH2 TIP3 6009 62.187 59.965 -2.553 1.00 0.00 WT1 O ATOM 18059 H1 TIP3 6009 61.282 60.225 -2.386 1.00 0.00 WT1 H ATOM 18060 H2 TIP3 6009 62.200 59.021 -2.393 1.00 0.00 WT1 H ATOM 18061 OH2 TIP3 6011 75.718 14.110 -7.816 1.00 0.00 WT1 O ATOM 18062 H1 TIP3 6011 74.980 14.664 -8.070 1.00 0.00 WT1 H ATOM 18063 H2 TIP3 6011 76.001 13.697 -8.632 1.00 0.00 WT1 H ATOM 18064 OH2 TIP3 6013 66.977 75.758 44.826 1.00 0.00 WT1 O ATOM 18065 H1 TIP3 6013 67.352 75.277 44.088 1.00 0.00 WT1 H ATOM 18066 H2 TIP3 6013 67.283 76.657 44.708 1.00 0.00 WT1 H ATOM 18067 OH2 TIP3 6014 49.662 43.612 3.378 1.00 0.00 WT1 O ATOM 18068 H1 TIP3 6014 49.795 43.343 4.287 1.00 0.00 WT1 H ATOM 18069 H2 TIP3 6014 50.356 44.249 3.211 1.00 0.00 WT1 H ATOM 18070 OH2 TIP3 6015 58.842 57.141 0.828 1.00 0.00 WT1 O ATOM 18071 H1 TIP3 6015 58.054 57.650 1.019 1.00 0.00 WT1 H ATOM 18072 H2 TIP3 6015 58.707 56.310 1.284 1.00 0.00 WT1 H ATOM 18073 OH2 TIP3 6016 23.912 32.429 60.151 1.00 0.00 WT1 O ATOM 18074 H1 TIP3 6016 24.248 32.931 60.893 1.00 0.00 WT1 H ATOM 18075 H2 TIP3 6016 23.597 33.091 59.536 1.00 0.00 WT1 H ATOM 18076 OH2 TIP3 6018 30.556 80.451 39.947 1.00 0.00 WT1 O ATOM 18077 H1 TIP3 6018 30.923 81.315 39.758 1.00 0.00 WT1 H ATOM 18078 H2 TIP3 6018 29.846 80.349 39.314 1.00 0.00 WT1 H ATOM 18079 OH2 TIP3 6019 69.167 26.913 60.273 1.00 0.00 WT1 O ATOM 18080 H1 TIP3 6019 68.760 27.415 59.567 1.00 0.00 WT1 H ATOM 18081 H2 TIP3 6019 68.431 26.533 60.753 1.00 0.00 WT1 H ATOM 18082 OH2 TIP3 6020 43.054 9.025 14.135 1.00 0.00 WT1 O ATOM 18083 H1 TIP3 6020 43.761 8.420 14.358 1.00 0.00 WT1 H ATOM 18084 H2 TIP3 6020 42.271 8.632 14.521 1.00 0.00 WT1 H ATOM 18085 OH2 TIP3 6021 51.183 40.620 8.005 1.00 0.00 WT1 O ATOM 18086 H1 TIP3 6021 51.676 41.069 8.691 1.00 0.00 WT1 H ATOM 18087 H2 TIP3 6021 50.902 39.799 8.410 1.00 0.00 WT1 H ATOM 18088 OH2 TIP3 6024 80.337 81.192 -9.853 1.00 0.00 WT1 O ATOM 18089 H1 TIP3 6024 81.169 81.358 -10.297 1.00 0.00 WT1 H ATOM 18090 H2 TIP3 6024 79.695 81.699 -10.350 1.00 0.00 WT1 H ATOM 18091 OH2 TIP3 6026 32.860 47.920 14.067 1.00 0.00 WT1 O ATOM 18092 H1 TIP3 6026 33.799 47.860 13.895 1.00 0.00 WT1 H ATOM 18093 H2 TIP3 6026 32.786 47.856 15.020 1.00 0.00 WT1 H ATOM 18094 OH2 TIP3 6027 60.725 35.171 8.002 1.00 0.00 WT1 O ATOM 18095 H1 TIP3 6027 59.779 35.142 8.147 1.00 0.00 WT1 H ATOM 18096 H2 TIP3 6027 60.924 36.101 7.901 1.00 0.00 WT1 H ATOM 18097 OH2 TIP3 6030 31.815 24.264 55.757 1.00 0.00 WT1 O ATOM 18098 H1 TIP3 6030 31.182 24.705 56.324 1.00 0.00 WT1 H ATOM 18099 H2 TIP3 6030 31.438 24.329 54.880 1.00 0.00 WT1 H ATOM 18100 OH2 TIP3 6031 39.259 68.240 -18.008 1.00 0.00 WT1 O ATOM 18101 H1 TIP3 6031 39.796 68.383 -18.788 1.00 0.00 WT1 H ATOM 18102 H2 TIP3 6031 38.881 69.099 -17.816 1.00 0.00 WT1 H ATOM 18103 OH2 TIP3 6032 52.915 31.575 -13.655 1.00 0.00 WT1 O ATOM 18104 H1 TIP3 6032 53.838 31.813 -13.567 1.00 0.00 WT1 H ATOM 18105 H2 TIP3 6032 52.446 32.247 -13.159 1.00 0.00 WT1 H ATOM 18106 OH2 TIP3 6034 49.944 87.821 40.686 1.00 0.00 WT1 O ATOM 18107 H1 TIP3 6034 50.431 87.907 41.505 1.00 0.00 WT1 H ATOM 18108 H2 TIP3 6034 50.620 87.756 40.011 1.00 0.00 WT1 H ATOM 18109 OH2 TIP3 6035 76.051 61.406 7.639 1.00 0.00 WT1 O ATOM 18110 H1 TIP3 6035 76.419 60.684 8.148 1.00 0.00 WT1 H ATOM 18111 H2 TIP3 6035 76.087 62.159 8.229 1.00 0.00 WT1 H ATOM 18112 OH2 TIP3 6036 76.672 34.238 3.669 1.00 0.00 WT1 O ATOM 18113 H1 TIP3 6036 76.549 33.663 2.914 1.00 0.00 WT1 H ATOM 18114 H2 TIP3 6036 75.917 34.061 4.231 1.00 0.00 WT1 H ATOM 18115 OH2 TIP3 6037 68.706 42.217 8.590 1.00 0.00 WT1 O ATOM 18116 H1 TIP3 6037 67.935 42.580 9.027 1.00 0.00 WT1 H ATOM 18117 H2 TIP3 6037 68.992 41.504 9.161 1.00 0.00 WT1 H ATOM 18118 OH2 TIP3 6039 57.545 34.707 6.243 1.00 0.00 WT1 O ATOM 18119 H1 TIP3 6039 58.237 35.365 6.173 1.00 0.00 WT1 H ATOM 18120 H2 TIP3 6039 56.753 35.211 6.430 1.00 0.00 WT1 H ATOM 18121 OH2 TIP3 6042 59.840 5.107 15.887 1.00 0.00 WT1 O ATOM 18122 H1 TIP3 6042 59.704 5.371 14.977 1.00 0.00 WT1 H ATOM 18123 H2 TIP3 6042 60.493 4.409 15.839 1.00 0.00 WT1 H ATOM 18124 OH2 TIP3 6044 83.998 38.452 -0.890 1.00 0.00 WT1 O ATOM 18125 H1 TIP3 6044 84.828 38.919 -0.987 1.00 0.00 WT1 H ATOM 18126 H2 TIP3 6044 84.227 37.653 -0.415 1.00 0.00 WT1 H ATOM 18127 OH2 TIP3 6046 90.769 75.790 24.507 1.00 0.00 WT1 O ATOM 18128 H1 TIP3 6046 91.112 75.192 23.843 1.00 0.00 WT1 H ATOM 18129 H2 TIP3 6046 90.251 75.232 25.088 1.00 0.00 WT1 H ATOM 18130 OH2 TIP3 6048 44.477 30.221 -15.371 1.00 0.00 WT1 O ATOM 18131 H1 TIP3 6048 44.848 31.044 -15.689 1.00 0.00 WT1 H ATOM 18132 H2 TIP3 6048 44.593 30.256 -14.421 1.00 0.00 WT1 H ATOM 18133 OH2 TIP3 6049 51.199 24.108 40.688 1.00 0.00 WT1 O ATOM 18134 H1 TIP3 6049 51.393 23.497 41.399 1.00 0.00 WT1 H ATOM 18135 H2 TIP3 6049 50.310 23.881 40.413 1.00 0.00 WT1 H ATOM 18136 OH2 TIP3 6050 57.259 5.869 22.691 1.00 0.00 WT1 O ATOM 18137 H1 TIP3 6050 58.125 6.065 22.332 1.00 0.00 WT1 H ATOM 18138 H2 TIP3 6050 56.930 6.713 22.999 1.00 0.00 WT1 H ATOM 18139 OH2 TIP3 6051 21.054 37.580 -8.769 1.00 0.00 WT1 O ATOM 18140 H1 TIP3 6051 21.682 36.977 -8.371 1.00 0.00 WT1 H ATOM 18141 H2 TIP3 6051 21.576 38.106 -9.375 1.00 0.00 WT1 H ATOM 18142 OH2 TIP3 6052 38.241 91.149 -1.005 1.00 0.00 WT1 O ATOM 18143 H1 TIP3 6052 37.346 91.374 -1.258 1.00 0.00 WT1 H ATOM 18144 H2 TIP3 6052 38.592 90.675 -1.759 1.00 0.00 WT1 H ATOM 18145 OH2 TIP3 6053 65.001 35.799 -2.383 1.00 0.00 WT1 O ATOM 18146 H1 TIP3 6053 65.107 36.671 -2.765 1.00 0.00 WT1 H ATOM 18147 H2 TIP3 6053 64.968 35.210 -3.137 1.00 0.00 WT1 H ATOM 18148 OH2 TIP3 6054 63.039 45.964 -2.605 1.00 0.00 WT1 O ATOM 18149 H1 TIP3 6054 63.239 46.326 -1.741 1.00 0.00 WT1 H ATOM 18150 H2 TIP3 6054 62.518 45.183 -2.423 1.00 0.00 WT1 H ATOM 18151 OH2 TIP3 6058 69.593 4.916 31.477 1.00 0.00 WT1 O ATOM 18152 H1 TIP3 6058 69.696 4.818 32.424 1.00 0.00 WT1 H ATOM 18153 H2 TIP3 6058 68.655 4.802 31.324 1.00 0.00 WT1 H ATOM 18154 OH2 TIP3 6059 89.625 56.281 31.192 1.00 0.00 WT1 O ATOM 18155 H1 TIP3 6059 90.035 56.429 32.045 1.00 0.00 WT1 H ATOM 18156 H2 TIP3 6059 89.725 57.113 30.730 1.00 0.00 WT1 H ATOM 18157 OH2 TIP3 6061 42.036 38.067 35.246 1.00 0.00 WT1 O ATOM 18158 H1 TIP3 6061 41.686 38.945 35.392 1.00 0.00 WT1 H ATOM 18159 H2 TIP3 6061 42.629 38.166 34.501 1.00 0.00 WT1 H ATOM 18160 OH2 TIP3 6068 62.625 63.595 -9.183 1.00 0.00 WT1 O ATOM 18161 H1 TIP3 6068 61.973 64.286 -9.066 1.00 0.00 WT1 H ATOM 18162 H2 TIP3 6068 62.117 62.784 -9.191 1.00 0.00 WT1 H ATOM 18163 OH2 TIP3 6069 65.727 81.029 45.892 1.00 0.00 WT1 O ATOM 18164 H1 TIP3 6069 65.208 80.250 46.090 1.00 0.00 WT1 H ATOM 18165 H2 TIP3 6069 66.315 81.123 46.641 1.00 0.00 WT1 H ATOM 18166 OH2 TIP3 6070 76.214 73.271 57.604 1.00 0.00 WT1 O ATOM 18167 H1 TIP3 6070 75.848 72.778 58.338 1.00 0.00 WT1 H ATOM 18168 H2 TIP3 6070 77.147 73.343 57.805 1.00 0.00 WT1 H ATOM 18169 OH2 TIP3 6071 33.796 4.080 -9.951 1.00 0.00 WT1 O ATOM 18170 H1 TIP3 6071 34.171 4.960 -9.997 1.00 0.00 WT1 H ATOM 18171 H2 TIP3 6071 32.859 4.224 -9.824 1.00 0.00 WT1 H ATOM 18172 OH2 TIP3 6072 62.769 79.059 39.094 1.00 0.00 WT1 O ATOM 18173 H1 TIP3 6072 61.891 79.214 39.440 1.00 0.00 WT1 H ATOM 18174 H2 TIP3 6072 62.623 78.601 38.266 1.00 0.00 WT1 H ATOM 18175 OH2 TIP3 6073 61.170 74.553 7.147 1.00 0.00 WT1 O ATOM 18176 H1 TIP3 6073 61.522 75.384 7.467 1.00 0.00 WT1 H ATOM 18177 H2 TIP3 6073 60.234 74.599 7.340 1.00 0.00 WT1 H ATOM 18178 OH2 TIP3 6074 53.252 24.174 66.593 1.00 0.00 WT1 O ATOM 18179 H1 TIP3 6074 53.219 23.975 67.529 1.00 0.00 WT1 H ATOM 18180 H2 TIP3 6074 52.734 24.974 66.499 1.00 0.00 WT1 H ATOM 18181 OH2 TIP3 6075 43.605 69.505 56.357 1.00 0.00 WT1 O ATOM 18182 H1 TIP3 6075 43.461 70.445 56.468 1.00 0.00 WT1 H ATOM 18183 H2 TIP3 6075 44.470 69.441 55.952 1.00 0.00 WT1 H ATOM 18184 OH2 TIP3 6077 63.639 61.278 -11.453 1.00 0.00 WT1 O ATOM 18185 H1 TIP3 6077 63.299 62.110 -11.781 1.00 0.00 WT1 H ATOM 18186 H2 TIP3 6077 63.056 61.048 -10.729 1.00 0.00 WT1 H ATOM 18187 OH2 TIP3 6079 45.150 14.461 -13.373 1.00 0.00 WT1 O ATOM 18188 H1 TIP3 6079 45.882 13.870 -13.196 1.00 0.00 WT1 H ATOM 18189 H2 TIP3 6079 44.530 13.931 -13.874 1.00 0.00 WT1 H ATOM 18190 OH2 TIP3 6083 56.671 11.036 21.380 1.00 0.00 WT1 O ATOM 18191 H1 TIP3 6083 56.010 11.652 21.065 1.00 0.00 WT1 H ATOM 18192 H2 TIP3 6083 57.401 11.133 20.769 1.00 0.00 WT1 H ATOM 18193 OH2 TIP3 6084 60.099 46.778 13.193 1.00 0.00 WT1 O ATOM 18194 H1 TIP3 6084 59.274 46.357 12.952 1.00 0.00 WT1 H ATOM 18195 H2 TIP3 6084 59.861 47.390 13.890 1.00 0.00 WT1 H ATOM 18196 OH2 TIP3 6087 49.280 73.398 59.385 1.00 0.00 WT1 O ATOM 18197 H1 TIP3 6087 48.755 72.647 59.662 1.00 0.00 WT1 H ATOM 18198 H2 TIP3 6087 49.434 73.252 58.452 1.00 0.00 WT1 H ATOM 18199 OH2 TIP3 6088 40.689 14.880 54.070 1.00 0.00 WT1 O ATOM 18200 H1 TIP3 6088 40.919 14.340 54.826 1.00 0.00 WT1 H ATOM 18201 H2 TIP3 6088 41.369 15.553 54.040 1.00 0.00 WT1 H ATOM 18202 OH2 TIP3 6089 78.031 27.914 59.758 1.00 0.00 WT1 O ATOM 18203 H1 TIP3 6089 78.856 28.073 59.300 1.00 0.00 WT1 H ATOM 18204 H2 TIP3 6089 78.287 27.772 60.670 1.00 0.00 WT1 H ATOM 18205 OH2 TIP3 6090 20.817 22.611 -2.198 1.00 0.00 WT1 O ATOM 18206 H1 TIP3 6090 21.535 23.200 -2.430 1.00 0.00 WT1 H ATOM 18207 H2 TIP3 6090 20.999 22.357 -1.293 1.00 0.00 WT1 H ATOM 18208 OH2 TIP3 6091 33.900 44.870 56.257 1.00 0.00 WT1 O ATOM 18209 H1 TIP3 6091 34.354 45.357 56.945 1.00 0.00 WT1 H ATOM 18210 H2 TIP3 6091 33.447 45.542 55.747 1.00 0.00 WT1 H ATOM 18211 OH2 TIP3 6092 68.981 74.845 5.863 1.00 0.00 WT1 O ATOM 18212 H1 TIP3 6092 68.458 74.824 5.062 1.00 0.00 WT1 H ATOM 18213 H2 TIP3 6092 68.408 74.473 6.533 1.00 0.00 WT1 H ATOM 18214 OH2 TIP3 6093 34.876 70.253 59.604 1.00 0.00 WT1 O ATOM 18215 H1 TIP3 6093 34.605 69.588 58.971 1.00 0.00 WT1 H ATOM 18216 H2 TIP3 6093 35.065 69.762 60.403 1.00 0.00 WT1 H ATOM 18217 OH2 TIP3 6095 51.797 18.503 19.769 1.00 0.00 WT1 O ATOM 18218 H1 TIP3 6095 51.282 17.907 20.313 1.00 0.00 WT1 H ATOM 18219 H2 TIP3 6095 51.203 19.229 19.579 1.00 0.00 WT1 H ATOM 18220 OH2 TIP3 6096 47.580 8.275 61.566 1.00 0.00 WT1 O ATOM 18221 H1 TIP3 6096 47.886 7.615 60.944 1.00 0.00 WT1 H ATOM 18222 H2 TIP3 6096 48.160 8.180 62.322 1.00 0.00 WT1 H ATOM 18223 OH2 TIP3 6097 70.833 28.187 19.891 1.00 0.00 WT1 O ATOM 18224 H1 TIP3 6097 71.533 27.695 20.321 1.00 0.00 WT1 H ATOM 18225 H2 TIP3 6097 71.197 29.063 19.767 1.00 0.00 WT1 H ATOM 18226 OH2 TIP3 6098 39.462 56.291 61.083 1.00 0.00 WT1 O ATOM 18227 H1 TIP3 6098 38.846 55.838 61.658 1.00 0.00 WT1 H ATOM 18228 H2 TIP3 6098 38.931 56.947 60.631 1.00 0.00 WT1 H ATOM 18229 OH2 TIP3 6099 60.451 72.846 47.510 1.00 0.00 WT1 O ATOM 18230 H1 TIP3 6099 60.247 72.698 46.587 1.00 0.00 WT1 H ATOM 18231 H2 TIP3 6099 60.585 71.969 47.870 1.00 0.00 WT1 H ATOM 18232 OH2 TIP3 6101 82.474 41.119 3.711 1.00 0.00 WT1 O ATOM 18233 H1 TIP3 6101 83.279 41.543 4.008 1.00 0.00 WT1 H ATOM 18234 H2 TIP3 6101 82.765 40.294 3.325 1.00 0.00 WT1 H ATOM 18235 OH2 TIP3 6102 79.084 27.813 62.256 1.00 0.00 WT1 O ATOM 18236 H1 TIP3 6102 79.134 27.083 62.873 1.00 0.00 WT1 H ATOM 18237 H2 TIP3 6102 79.996 28.036 62.073 1.00 0.00 WT1 H ATOM 18238 OH2 TIP3 6105 74.503 74.471 19.117 1.00 0.00 WT1 O ATOM 18239 H1 TIP3 6105 73.762 74.177 18.588 1.00 0.00 WT1 H ATOM 18240 H2 TIP3 6105 74.462 73.932 19.907 1.00 0.00 WT1 H ATOM 18241 OH2 TIP3 6106 86.798 20.347 52.811 1.00 0.00 WT1 O ATOM 18242 H1 TIP3 6106 86.586 21.114 52.279 1.00 0.00 WT1 H ATOM 18243 H2 TIP3 6106 87.091 19.691 52.179 1.00 0.00 WT1 H ATOM 18244 OH2 TIP3 6108 84.909 21.188 41.526 1.00 0.00 WT1 O ATOM 18245 H1 TIP3 6108 85.079 22.123 41.412 1.00 0.00 WT1 H ATOM 18246 H2 TIP3 6108 85.769 20.807 41.702 1.00 0.00 WT1 H ATOM 18247 OH2 TIP3 6110 82.304 24.321 65.910 1.00 0.00 WT1 O ATOM 18248 H1 TIP3 6110 82.599 23.869 66.700 1.00 0.00 WT1 H ATOM 18249 H2 TIP3 6110 83.105 24.675 65.523 1.00 0.00 WT1 H ATOM 18250 OH2 TIP3 6111 73.566 54.646 46.761 1.00 0.00 WT1 O ATOM 18251 H1 TIP3 6111 74.294 54.908 47.325 1.00 0.00 WT1 H ATOM 18252 H2 TIP3 6111 72.789 54.745 47.310 1.00 0.00 WT1 H ATOM 18253 OH2 TIP3 6112 21.209 86.621 -6.915 1.00 0.00 WT1 O ATOM 18254 H1 TIP3 6112 21.748 87.317 -6.538 1.00 0.00 WT1 H ATOM 18255 H2 TIP3 6112 21.594 85.811 -6.580 1.00 0.00 WT1 H ATOM 18256 OH2 TIP3 6113 41.979 57.481 16.948 1.00 0.00 WT1 O ATOM 18257 H1 TIP3 6113 41.416 58.189 17.261 1.00 0.00 WT1 H ATOM 18258 H2 TIP3 6113 42.719 57.476 17.556 1.00 0.00 WT1 H ATOM 18259 OH2 TIP3 6116 67.753 34.607 -15.160 1.00 0.00 WT1 O ATOM 18260 H1 TIP3 6116 66.976 34.177 -14.803 1.00 0.00 WT1 H ATOM 18261 H2 TIP3 6116 68.478 34.031 -14.918 1.00 0.00 WT1 H ATOM 18262 OH2 TIP3 6117 55.310 60.308 -10.625 1.00 0.00 WT1 O ATOM 18263 H1 TIP3 6117 55.950 60.678 -10.017 1.00 0.00 WT1 H ATOM 18264 H2 TIP3 6117 55.806 60.149 -11.428 1.00 0.00 WT1 H ATOM 18265 OH2 TIP3 6120 83.429 80.664 45.143 1.00 0.00 WT1 O ATOM 18266 H1 TIP3 6120 83.768 79.792 45.343 1.00 0.00 WT1 H ATOM 18267 H2 TIP3 6120 83.242 80.640 44.205 1.00 0.00 WT1 H ATOM 18268 OH2 TIP3 6122 62.673 62.333 39.333 1.00 0.00 WT1 O ATOM 18269 H1 TIP3 6122 61.866 62.492 39.822 1.00 0.00 WT1 H ATOM 18270 H2 TIP3 6122 62.445 61.642 38.711 1.00 0.00 WT1 H ATOM 18271 OH2 TIP3 6125 36.435 6.564 42.908 1.00 0.00 WT1 O ATOM 18272 H1 TIP3 6125 35.585 6.882 43.214 1.00 0.00 WT1 H ATOM 18273 H2 TIP3 6125 36.265 6.238 42.025 1.00 0.00 WT1 H ATOM 18274 OH2 TIP3 6126 48.516 89.028 16.680 1.00 0.00 WT1 O ATOM 18275 H1 TIP3 6126 48.782 88.368 16.039 1.00 0.00 WT1 H ATOM 18276 H2 TIP3 6126 49.327 89.484 16.905 1.00 0.00 WT1 H ATOM 18277 OH2 TIP3 6127 22.900 41.631 22.671 1.00 0.00 WT1 O ATOM 18278 H1 TIP3 6127 23.306 40.791 22.883 1.00 0.00 WT1 H ATOM 18279 H2 TIP3 6127 22.514 41.926 23.496 1.00 0.00 WT1 H ATOM 18280 OH2 TIP3 6130 44.384 52.617 27.353 1.00 0.00 WT1 O ATOM 18281 H1 TIP3 6130 44.004 51.953 26.778 1.00 0.00 WT1 H ATOM 18282 H2 TIP3 6130 44.930 53.150 26.776 1.00 0.00 WT1 H ATOM 18283 OH2 TIP3 6131 32.085 13.690 46.223 1.00 0.00 WT1 O ATOM 18284 H1 TIP3 6131 32.728 14.399 46.194 1.00 0.00 WT1 H ATOM 18285 H2 TIP3 6131 32.403 13.105 46.910 1.00 0.00 WT1 H ATOM 18286 OH2 TIP3 6132 41.122 50.596 33.580 1.00 0.00 WT1 O ATOM 18287 H1 TIP3 6132 41.524 51.387 33.939 1.00 0.00 WT1 H ATOM 18288 H2 TIP3 6132 40.911 50.824 32.675 1.00 0.00 WT1 H ATOM 18289 OH2 TIP3 6133 43.237 27.706 -8.788 1.00 0.00 WT1 O ATOM 18290 H1 TIP3 6133 43.138 28.276 -9.551 1.00 0.00 WT1 H ATOM 18291 H2 TIP3 6133 42.342 27.537 -8.497 1.00 0.00 WT1 H ATOM 18292 OH2 TIP3 6134 50.841 62.277 -13.148 1.00 0.00 WT1 O ATOM 18293 H1 TIP3 6134 50.155 62.572 -13.748 1.00 0.00 WT1 H ATOM 18294 H2 TIP3 6134 50.580 62.625 -12.296 1.00 0.00 WT1 H ATOM 18295 OH2 TIP3 6135 82.794 33.103 5.145 1.00 0.00 WT1 O ATOM 18296 H1 TIP3 6135 82.863 33.973 5.539 1.00 0.00 WT1 H ATOM 18297 H2 TIP3 6135 82.192 32.628 5.718 1.00 0.00 WT1 H ATOM 18298 OH2 TIP3 6136 54.691 12.900 20.629 1.00 0.00 WT1 O ATOM 18299 H1 TIP3 6136 53.789 12.592 20.723 1.00 0.00 WT1 H ATOM 18300 H2 TIP3 6136 54.675 13.796 20.964 1.00 0.00 WT1 H ATOM 18301 OH2 TIP3 6137 65.104 93.331 7.630 1.00 0.00 WT1 O ATOM 18302 H1 TIP3 6137 65.460 93.143 8.499 1.00 0.00 WT1 H ATOM 18303 H2 TIP3 6137 64.419 92.675 7.504 1.00 0.00 WT1 H ATOM 18304 OH2 TIP3 6138 42.509 22.267 -17.560 1.00 0.00 WT1 O ATOM 18305 H1 TIP3 6138 42.099 21.731 -18.239 1.00 0.00 WT1 H ATOM 18306 H2 TIP3 6138 42.361 21.781 -16.748 1.00 0.00 WT1 H ATOM 18307 OH2 TIP3 6139 22.133 90.626 -10.396 1.00 0.00 WT1 O ATOM 18308 H1 TIP3 6139 21.765 91.472 -10.653 1.00 0.00 WT1 H ATOM 18309 H2 TIP3 6139 21.481 90.252 -9.803 1.00 0.00 WT1 H ATOM 18310 OH2 TIP3 6141 69.873 57.487 -9.483 1.00 0.00 WT1 O ATOM 18311 H1 TIP3 6141 69.114 58.063 -9.580 1.00 0.00 WT1 H ATOM 18312 H2 TIP3 6141 69.547 56.746 -8.973 1.00 0.00 WT1 H ATOM 18313 OH2 TIP3 6144 71.745 5.270 -16.875 1.00 0.00 WT1 O ATOM 18314 H1 TIP3 6144 70.948 5.278 -16.345 1.00 0.00 WT1 H ATOM 18315 H2 TIP3 6144 72.102 4.390 -16.759 1.00 0.00 WT1 H ATOM 18316 OH2 TIP3 6146 39.170 79.425 64.901 1.00 0.00 WT1 O ATOM 18317 H1 TIP3 6146 40.022 79.490 65.334 1.00 0.00 WT1 H ATOM 18318 H2 TIP3 6146 39.048 78.487 64.752 1.00 0.00 WT1 H ATOM 18319 OH2 TIP3 6147 75.489 40.585 10.221 1.00 0.00 WT1 O ATOM 18320 H1 TIP3 6147 76.307 41.074 10.303 1.00 0.00 WT1 H ATOM 18321 H2 TIP3 6147 74.830 41.150 10.625 1.00 0.00 WT1 H ATOM 18322 OH2 TIP3 6148 84.288 41.956 64.694 1.00 0.00 WT1 O ATOM 18323 H1 TIP3 6148 85.228 41.804 64.792 1.00 0.00 WT1 H ATOM 18324 H2 TIP3 6148 84.193 42.908 64.735 1.00 0.00 WT1 H ATOM 18325 OH2 TIP3 6150 42.887 48.716 34.740 1.00 0.00 WT1 O ATOM 18326 H1 TIP3 6150 42.651 49.568 34.374 1.00 0.00 WT1 H ATOM 18327 H2 TIP3 6150 43.247 48.228 33.999 1.00 0.00 WT1 H ATOM 18328 OH2 TIP3 6151 89.226 41.771 20.545 1.00 0.00 WT1 O ATOM 18329 H1 TIP3 6151 89.437 42.682 20.341 1.00 0.00 WT1 H ATOM 18330 H2 TIP3 6151 88.329 41.656 20.232 1.00 0.00 WT1 H ATOM 18331 OH2 TIP3 6152 54.454 81.201 37.319 1.00 0.00 WT1 O ATOM 18332 H1 TIP3 6152 53.560 80.883 37.447 1.00 0.00 WT1 H ATOM 18333 H2 TIP3 6152 54.815 80.636 36.637 1.00 0.00 WT1 H ATOM 18334 OH2 TIP3 6153 37.367 63.722 3.537 1.00 0.00 WT1 O ATOM 18335 H1 TIP3 6153 37.656 62.813 3.461 1.00 0.00 WT1 H ATOM 18336 H2 TIP3 6153 37.222 63.850 4.475 1.00 0.00 WT1 H ATOM 18337 OH2 TIP3 6154 64.044 64.966 22.440 1.00 0.00 WT1 O ATOM 18338 H1 TIP3 6154 63.242 65.488 22.447 1.00 0.00 WT1 H ATOM 18339 H2 TIP3 6154 63.740 64.059 22.400 1.00 0.00 WT1 H ATOM 18340 OH2 TIP3 6155 20.394 45.286 39.899 1.00 0.00 WT1 O ATOM 18341 H1 TIP3 6155 20.782 45.999 40.407 1.00 0.00 WT1 H ATOM 18342 H2 TIP3 6155 20.814 45.346 39.042 1.00 0.00 WT1 H ATOM 18343 OH2 TIP3 6156 67.246 74.278 39.992 1.00 0.00 WT1 O ATOM 18344 H1 TIP3 6156 66.925 74.708 39.200 1.00 0.00 WT1 H ATOM 18345 H2 TIP3 6156 67.072 73.348 39.847 1.00 0.00 WT1 H ATOM 18346 OH2 TIP3 6157 25.016 31.133 40.250 1.00 0.00 WT1 O ATOM 18347 H1 TIP3 6157 24.096 30.967 40.041 1.00 0.00 WT1 H ATOM 18348 H2 TIP3 6157 25.452 30.296 40.090 1.00 0.00 WT1 H ATOM 18349 OH2 TIP3 6158 76.944 87.153 63.893 1.00 0.00 WT1 O ATOM 18350 H1 TIP3 6158 77.490 87.861 63.552 1.00 0.00 WT1 H ATOM 18351 H2 TIP3 6158 77.380 86.882 64.701 1.00 0.00 WT1 H ATOM 18352 OH2 TIP3 6159 23.765 78.383 53.436 1.00 0.00 WT1 O ATOM 18353 H1 TIP3 6159 24.598 77.936 53.287 1.00 0.00 WT1 H ATOM 18354 H2 TIP3 6159 23.407 77.971 54.222 1.00 0.00 WT1 H ATOM 18355 OH2 TIP3 6160 82.983 34.650 -1.112 1.00 0.00 WT1 O ATOM 18356 H1 TIP3 6160 82.310 34.195 -0.604 1.00 0.00 WT1 H ATOM 18357 H2 TIP3 6160 83.440 35.194 -0.471 1.00 0.00 WT1 H ATOM 18358 OH2 TIP3 6162 65.295 18.048 -5.700 1.00 0.00 WT1 O ATOM 18359 H1 TIP3 6162 66.178 17.930 -6.049 1.00 0.00 WT1 H ATOM 18360 H2 TIP3 6162 64.782 18.360 -6.446 1.00 0.00 WT1 H ATOM 18361 OH2 TIP3 6163 54.954 14.345 50.049 1.00 0.00 WT1 O ATOM 18362 H1 TIP3 6163 55.142 14.199 49.122 1.00 0.00 WT1 H ATOM 18363 H2 TIP3 6163 54.085 13.964 50.181 1.00 0.00 WT1 H ATOM 18364 OH2 TIP3 6164 59.938 73.913 29.573 1.00 0.00 WT1 O ATOM 18365 H1 TIP3 6164 59.645 73.495 30.383 1.00 0.00 WT1 H ATOM 18366 H2 TIP3 6164 59.464 73.453 28.880 1.00 0.00 WT1 H ATOM 18367 OH2 TIP3 6166 47.010 52.401 58.939 1.00 0.00 WT1 O ATOM 18368 H1 TIP3 6166 47.941 52.555 58.779 1.00 0.00 WT1 H ATOM 18369 H2 TIP3 6166 46.936 52.349 59.892 1.00 0.00 WT1 H ATOM 18370 OH2 TIP3 6167 73.183 50.727 20.581 1.00 0.00 WT1 O ATOM 18371 H1 TIP3 6167 73.231 49.793 20.376 1.00 0.00 WT1 H ATOM 18372 H2 TIP3 6167 73.538 51.161 19.805 1.00 0.00 WT1 H ATOM 18373 OH2 TIP3 6171 29.821 43.722 25.317 1.00 0.00 WT1 O ATOM 18374 H1 TIP3 6171 30.509 43.167 25.682 1.00 0.00 WT1 H ATOM 18375 H2 TIP3 6171 30.276 44.516 25.037 1.00 0.00 WT1 H ATOM 18376 OH2 TIP3 6172 29.992 54.007 53.034 1.00 0.00 WT1 O ATOM 18377 H1 TIP3 6172 29.686 54.829 52.650 1.00 0.00 WT1 H ATOM 18378 H2 TIP3 6172 29.205 53.611 53.409 1.00 0.00 WT1 H ATOM 18379 OH2 TIP3 6175 35.888 29.081 12.063 1.00 0.00 WT1 O ATOM 18380 H1 TIP3 6175 36.614 29.696 12.170 1.00 0.00 WT1 H ATOM 18381 H2 TIP3 6175 35.395 29.147 12.881 1.00 0.00 WT1 H ATOM 18382 OH2 TIP3 6176 55.940 15.699 -0.251 1.00 0.00 WT1 O ATOM 18383 H1 TIP3 6176 55.554 15.567 -1.117 1.00 0.00 WT1 H ATOM 18384 H2 TIP3 6176 56.445 16.507 -0.334 1.00 0.00 WT1 H ATOM 18385 OH2 TIP3 6177 36.750 11.830 42.540 1.00 0.00 WT1 O ATOM 18386 H1 TIP3 6177 37.633 11.475 42.432 1.00 0.00 WT1 H ATOM 18387 H2 TIP3 6177 36.469 11.516 43.400 1.00 0.00 WT1 H ATOM 18388 OH2 TIP3 6178 65.472 81.346 -18.667 1.00 0.00 WT1 O ATOM 18389 H1 TIP3 6178 65.673 81.959 -17.960 1.00 0.00 WT1 H ATOM 18390 H2 TIP3 6178 66.092 81.568 -19.361 1.00 0.00 WT1 H ATOM 18391 OH2 TIP3 6180 87.668 48.582 0.272 1.00 0.00 WT1 O ATOM 18392 H1 TIP3 6180 88.391 49.181 0.457 1.00 0.00 WT1 H ATOM 18393 H2 TIP3 6180 88.020 47.713 0.466 1.00 0.00 WT1 H ATOM 18394 OH2 TIP3 6181 59.724 88.772 -13.116 1.00 0.00 WT1 O ATOM 18395 H1 TIP3 6181 60.122 89.005 -13.955 1.00 0.00 WT1 H ATOM 18396 H2 TIP3 6181 59.427 89.606 -12.751 1.00 0.00 WT1 H ATOM 18397 OH2 TIP3 6182 32.442 59.441 11.795 1.00 0.00 WT1 O ATOM 18398 H1 TIP3 6182 32.737 60.169 12.340 1.00 0.00 WT1 H ATOM 18399 H2 TIP3 6182 32.220 58.749 12.418 1.00 0.00 WT1 H ATOM 18400 OH2 TIP3 6183 22.605 10.203 51.186 1.00 0.00 WT1 O ATOM 18401 H1 TIP3 6183 22.546 9.869 50.291 1.00 0.00 WT1 H ATOM 18402 H2 TIP3 6183 22.699 11.150 51.083 1.00 0.00 WT1 H ATOM 18403 OH2 TIP3 6184 87.061 0.435 47.766 1.00 0.00 WT1 O ATOM 18404 H1 TIP3 6184 86.150 0.434 48.060 1.00 0.00 WT1 H ATOM 18405 H2 TIP3 6184 87.568 0.240 48.554 1.00 0.00 WT1 H ATOM 18406 OH2 TIP3 6186 46.482 43.950 0.739 1.00 0.00 WT1 O ATOM 18407 H1 TIP3 6186 47.050 43.284 0.352 1.00 0.00 WT1 H ATOM 18408 H2 TIP3 6186 45.653 43.498 0.894 1.00 0.00 WT1 H ATOM 18409 OH2 TIP3 6187 40.866 88.132 16.095 1.00 0.00 WT1 O ATOM 18410 H1 TIP3 6187 41.510 88.194 16.800 1.00 0.00 WT1 H ATOM 18411 H2 TIP3 6187 41.035 87.281 15.690 1.00 0.00 WT1 H ATOM 18412 OH2 TIP3 6188 60.262 10.676 33.219 1.00 0.00 WT1 O ATOM 18413 H1 TIP3 6188 59.837 9.941 33.661 1.00 0.00 WT1 H ATOM 18414 H2 TIP3 6188 61.184 10.605 33.468 1.00 0.00 WT1 H ATOM 18415 OH2 TIP3 6189 32.415 81.924 -0.227 1.00 0.00 WT1 O ATOM 18416 H1 TIP3 6189 31.941 82.274 -0.982 1.00 0.00 WT1 H ATOM 18417 H2 TIP3 6189 32.911 81.184 -0.577 1.00 0.00 WT1 H ATOM 18418 OH2 TIP3 6191 72.673 42.077 53.498 1.00 0.00 WT1 O ATOM 18419 H1 TIP3 6191 72.784 41.143 53.673 1.00 0.00 WT1 H ATOM 18420 H2 TIP3 6191 73.396 42.496 53.966 1.00 0.00 WT1 H ATOM 18421 OH2 TIP3 6192 80.779 17.810 3.606 1.00 0.00 WT1 O ATOM 18422 H1 TIP3 6192 80.053 18.073 3.040 1.00 0.00 WT1 H ATOM 18423 H2 TIP3 6192 80.926 18.565 4.175 1.00 0.00 WT1 H ATOM 18424 OH2 TIP3 6193 21.229 76.561 7.262 1.00 0.00 WT1 O ATOM 18425 H1 TIP3 6193 21.523 75.655 7.170 1.00 0.00 WT1 H ATOM 18426 H2 TIP3 6193 21.837 76.948 7.892 1.00 0.00 WT1 H ATOM 18427 OH2 TIP3 6194 80.723 48.889 -18.798 1.00 0.00 WT1 O ATOM 18428 H1 TIP3 6194 81.523 48.585 -19.226 1.00 0.00 WT1 H ATOM 18429 H2 TIP3 6194 80.257 49.375 -19.478 1.00 0.00 WT1 H ATOM 18430 OH2 TIP3 6195 20.620 79.076 -8.347 1.00 0.00 WT1 O ATOM 18431 H1 TIP3 6195 20.848 78.503 -7.615 1.00 0.00 WT1 H ATOM 18432 H2 TIP3 6195 21.379 79.651 -8.448 1.00 0.00 WT1 H ATOM 18433 OH2 TIP3 6196 43.029 25.524 54.010 1.00 0.00 WT1 O ATOM 18434 H1 TIP3 6196 42.657 25.994 54.756 1.00 0.00 WT1 H ATOM 18435 H2 TIP3 6196 42.595 24.671 54.024 1.00 0.00 WT1 H ATOM 18436 OH2 TIP3 6197 73.318 59.777 66.542 1.00 0.00 WT1 O ATOM 18437 H1 TIP3 6197 74.007 59.859 67.201 1.00 0.00 WT1 H ATOM 18438 H2 TIP3 6197 73.258 58.836 66.374 1.00 0.00 WT1 H ATOM 18439 OH2 TIP3 6198 90.802 1.568 6.698 1.00 0.00 WT1 O ATOM 18440 H1 TIP3 6198 90.263 2.298 6.392 1.00 0.00 WT1 H ATOM 18441 H2 TIP3 6198 90.188 0.990 7.151 1.00 0.00 WT1 H ATOM 18442 OH2 TIP3 6199 48.186 55.348 -4.126 1.00 0.00 WT1 O ATOM 18443 H1 TIP3 6199 48.726 55.760 -3.451 1.00 0.00 WT1 H ATOM 18444 H2 TIP3 6199 48.590 54.492 -4.267 1.00 0.00 WT1 H ATOM 18445 OH2 TIP3 6200 86.899 58.324 57.878 1.00 0.00 WT1 O ATOM 18446 H1 TIP3 6200 86.758 57.394 57.699 1.00 0.00 WT1 H ATOM 18447 H2 TIP3 6200 87.663 58.345 58.455 1.00 0.00 WT1 H ATOM 18448 OH2 TIP3 6201 53.386 8.695 -17.956 1.00 0.00 WT1 O ATOM 18449 H1 TIP3 6201 53.183 8.685 -18.892 1.00 0.00 WT1 H ATOM 18450 H2 TIP3 6201 53.311 7.780 -17.685 1.00 0.00 WT1 H ATOM 18451 OH2 TIP3 6202 55.494 32.345 45.230 1.00 0.00 WT1 O ATOM 18452 H1 TIP3 6202 55.448 33.170 44.747 1.00 0.00 WT1 H ATOM 18453 H2 TIP3 6202 54.591 32.029 45.252 1.00 0.00 WT1 H ATOM 18454 OH2 TIP3 6203 53.023 19.693 -2.900 1.00 0.00 WT1 O ATOM 18455 H1 TIP3 6203 52.346 19.776 -3.572 1.00 0.00 WT1 H ATOM 18456 H2 TIP3 6203 53.262 20.595 -2.688 1.00 0.00 WT1 H ATOM 18457 OH2 TIP3 6204 49.448 13.194 30.224 1.00 0.00 WT1 O ATOM 18458 H1 TIP3 6204 50.247 13.078 29.710 1.00 0.00 WT1 H ATOM 18459 H2 TIP3 6204 49.180 12.305 30.456 1.00 0.00 WT1 H ATOM 18460 OH2 TIP3 6205 55.187 95.608 -8.710 1.00 0.00 WT1 O ATOM 18461 H1 TIP3 6205 54.355 95.249 -9.017 1.00 0.00 WT1 H ATOM 18462 H2 TIP3 6205 55.703 94.841 -8.461 1.00 0.00 WT1 H ATOM 18463 OH2 TIP3 6207 82.227 93.764 -10.462 1.00 0.00 WT1 O ATOM 18464 H1 TIP3 6207 82.249 94.720 -10.507 1.00 0.00 WT1 H ATOM 18465 H2 TIP3 6207 82.177 93.569 -9.527 1.00 0.00 WT1 H ATOM 18466 OH2 TIP3 6208 29.043 39.256 22.531 1.00 0.00 WT1 O ATOM 18467 H1 TIP3 6208 29.903 38.948 22.816 1.00 0.00 WT1 H ATOM 18468 H2 TIP3 6208 28.945 40.112 22.948 1.00 0.00 WT1 H ATOM 18469 OH2 TIP3 6209 54.368 55.252 21.007 1.00 0.00 WT1 O ATOM 18470 H1 TIP3 6209 54.453 55.161 20.058 1.00 0.00 WT1 H ATOM 18471 H2 TIP3 6209 53.993 56.124 21.132 1.00 0.00 WT1 H ATOM 18472 OH2 TIP3 6210 88.765 46.754 15.482 1.00 0.00 WT1 O ATOM 18473 H1 TIP3 6210 89.363 46.071 15.787 1.00 0.00 WT1 H ATOM 18474 H2 TIP3 6210 89.189 47.574 15.735 1.00 0.00 WT1 H ATOM 18475 OH2 TIP3 6211 34.564 62.567 9.087 1.00 0.00 WT1 O ATOM 18476 H1 TIP3 6211 35.320 62.588 9.673 1.00 0.00 WT1 H ATOM 18477 H2 TIP3 6211 34.273 63.477 9.036 1.00 0.00 WT1 H ATOM 18478 OH2 TIP3 6212 86.137 38.487 27.134 1.00 0.00 WT1 O ATOM 18479 H1 TIP3 6212 85.460 39.133 26.929 1.00 0.00 WT1 H ATOM 18480 H2 TIP3 6212 85.719 37.642 26.970 1.00 0.00 WT1 H ATOM 18481 OH2 TIP3 6213 37.864 77.106 50.722 1.00 0.00 WT1 O ATOM 18482 H1 TIP3 6213 38.027 77.072 49.779 1.00 0.00 WT1 H ATOM 18483 H2 TIP3 6213 37.938 78.034 50.945 1.00 0.00 WT1 H ATOM 18484 OH2 TIP3 6214 52.402 35.497 64.112 1.00 0.00 WT1 O ATOM 18485 H1 TIP3 6214 52.307 34.588 64.395 1.00 0.00 WT1 H ATOM 18486 H2 TIP3 6214 51.505 35.829 64.068 1.00 0.00 WT1 H ATOM 18487 OH2 TIP3 6215 76.617 72.798 15.666 1.00 0.00 WT1 O ATOM 18488 H1 TIP3 6215 75.808 72.615 15.190 1.00 0.00 WT1 H ATOM 18489 H2 TIP3 6215 76.952 71.936 15.911 1.00 0.00 WT1 H ATOM 18490 OH2 TIP3 6216 85.797 79.854 39.221 1.00 0.00 WT1 O ATOM 18491 H1 TIP3 6216 86.024 79.247 39.925 1.00 0.00 WT1 H ATOM 18492 H2 TIP3 6216 84.842 79.817 39.171 1.00 0.00 WT1 H ATOM 18493 OH2 TIP3 6217 62.724 7.720 47.915 1.00 0.00 WT1 O ATOM 18494 H1 TIP3 6217 62.887 7.455 48.821 1.00 0.00 WT1 H ATOM 18495 H2 TIP3 6217 62.197 7.010 47.549 1.00 0.00 WT1 H ATOM 18496 OH2 TIP3 6218 29.083 81.917 -11.717 1.00 0.00 WT1 O ATOM 18497 H1 TIP3 6218 29.305 82.025 -12.642 1.00 0.00 WT1 H ATOM 18498 H2 TIP3 6218 29.359 82.737 -11.306 1.00 0.00 WT1 H ATOM 18499 OH2 TIP3 6219 40.908 53.626 49.384 1.00 0.00 WT1 O ATOM 18500 H1 TIP3 6219 41.293 53.736 48.515 1.00 0.00 WT1 H ATOM 18501 H2 TIP3 6219 40.858 54.513 49.740 1.00 0.00 WT1 H ATOM 18502 OH2 TIP3 6220 88.228 78.995 3.046 1.00 0.00 WT1 O ATOM 18503 H1 TIP3 6220 88.092 78.099 3.355 1.00 0.00 WT1 H ATOM 18504 H2 TIP3 6220 88.404 79.499 3.841 1.00 0.00 WT1 H ATOM 18505 OH2 TIP3 6221 84.532 55.754 12.165 1.00 0.00 WT1 O ATOM 18506 H1 TIP3 6221 84.515 56.704 12.045 1.00 0.00 WT1 H ATOM 18507 H2 TIP3 6221 85.028 55.623 12.973 1.00 0.00 WT1 H ATOM 18508 OH2 TIP3 6223 78.334 88.892 9.937 1.00 0.00 WT1 O ATOM 18509 H1 TIP3 6223 78.653 89.356 9.163 1.00 0.00 WT1 H ATOM 18510 H2 TIP3 6223 78.223 87.987 9.645 1.00 0.00 WT1 H ATOM 18511 OH2 TIP3 6224 61.097 95.601 64.086 1.00 0.00 WT1 O ATOM 18512 H1 TIP3 6224 60.876 94.773 64.512 1.00 0.00 WT1 H ATOM 18513 H2 TIP3 6224 60.870 95.466 63.166 1.00 0.00 WT1 H ATOM 18514 OH2 TIP3 6225 67.432 22.430 22.795 1.00 0.00 WT1 O ATOM 18515 H1 TIP3 6225 68.294 22.597 23.176 1.00 0.00 WT1 H ATOM 18516 H2 TIP3 6225 66.922 22.052 23.512 1.00 0.00 WT1 H ATOM 18517 OH2 TIP3 6227 89.991 25.045 -18.497 1.00 0.00 WT1 O ATOM 18518 H1 TIP3 6227 89.741 25.969 -18.517 1.00 0.00 WT1 H ATOM 18519 H2 TIP3 6227 89.180 24.573 -18.688 1.00 0.00 WT1 H ATOM 18520 OH2 TIP3 6228 39.618 10.668 24.904 1.00 0.00 WT1 O ATOM 18521 H1 TIP3 6228 39.007 11.339 25.208 1.00 0.00 WT1 H ATOM 18522 H2 TIP3 6228 40.475 10.968 25.208 1.00 0.00 WT1 H ATOM 18523 OH2 TIP3 6229 76.340 86.574 19.706 1.00 0.00 WT1 O ATOM 18524 H1 TIP3 6229 75.562 86.828 19.210 1.00 0.00 WT1 H ATOM 18525 H2 TIP3 6229 76.635 87.384 20.121 1.00 0.00 WT1 H ATOM 18526 OH2 TIP3 6230 69.922 55.509 29.000 1.00 0.00 WT1 O ATOM 18527 H1 TIP3 6230 69.868 54.998 29.808 1.00 0.00 WT1 H ATOM 18528 H2 TIP3 6230 69.050 55.436 28.612 1.00 0.00 WT1 H ATOM 18529 OH2 TIP3 6231 46.069 18.913 57.081 1.00 0.00 WT1 O ATOM 18530 H1 TIP3 6231 46.434 18.081 56.781 1.00 0.00 WT1 H ATOM 18531 H2 TIP3 6231 45.784 19.352 56.280 1.00 0.00 WT1 H ATOM 18532 OH2 TIP3 6232 53.510 44.317 63.006 1.00 0.00 WT1 O ATOM 18533 H1 TIP3 6232 52.572 44.491 62.925 1.00 0.00 WT1 H ATOM 18534 H2 TIP3 6232 53.930 45.100 62.651 1.00 0.00 WT1 H ATOM 18535 OH2 TIP3 6233 49.266 11.511 17.081 1.00 0.00 WT1 O ATOM 18536 H1 TIP3 6233 48.929 12.319 16.695 1.00 0.00 WT1 H ATOM 18537 H2 TIP3 6233 48.826 11.448 17.929 1.00 0.00 WT1 H ATOM 18538 OH2 TIP3 6234 47.332 51.483 44.631 1.00 0.00 WT1 O ATOM 18539 H1 TIP3 6234 47.846 52.158 45.075 1.00 0.00 WT1 H ATOM 18540 H2 TIP3 6234 47.445 51.669 43.699 1.00 0.00 WT1 H ATOM 18541 OH2 TIP3 6235 87.601 38.474 -5.538 1.00 0.00 WT1 O ATOM 18542 H1 TIP3 6235 87.778 38.926 -6.363 1.00 0.00 WT1 H ATOM 18543 H2 TIP3 6235 88.089 37.653 -5.605 1.00 0.00 WT1 H ATOM 18544 OH2 TIP3 6236 50.469 9.663 25.260 1.00 0.00 WT1 O ATOM 18545 H1 TIP3 6236 50.516 10.529 25.664 1.00 0.00 WT1 H ATOM 18546 H2 TIP3 6236 50.950 9.756 24.437 1.00 0.00 WT1 H ATOM 18547 OH2 TIP3 6237 53.693 12.109 45.651 1.00 0.00 WT1 O ATOM 18548 H1 TIP3 6237 53.495 11.500 46.362 1.00 0.00 WT1 H ATOM 18549 H2 TIP3 6237 54.594 12.388 45.816 1.00 0.00 WT1 H ATOM 18550 OH2 TIP3 6238 55.847 12.461 2.434 1.00 0.00 WT1 O ATOM 18551 H1 TIP3 6238 55.643 12.814 3.300 1.00 0.00 WT1 H ATOM 18552 H2 TIP3 6238 54.996 12.221 2.066 1.00 0.00 WT1 H ATOM 18553 OH2 TIP3 6239 62.067 31.313 -4.763 1.00 0.00 WT1 O ATOM 18554 H1 TIP3 6239 61.601 30.953 -5.517 1.00 0.00 WT1 H ATOM 18555 H2 TIP3 6239 61.453 31.938 -4.378 1.00 0.00 WT1 H ATOM 18556 OH2 TIP3 6240 88.181 81.115 39.803 1.00 0.00 WT1 O ATOM 18557 H1 TIP3 6240 88.775 81.298 39.075 1.00 0.00 WT1 H ATOM 18558 H2 TIP3 6240 87.562 80.474 39.452 1.00 0.00 WT1 H ATOM 18559 OH2 TIP3 6241 38.869 1.844 31.326 1.00 0.00 WT1 O ATOM 18560 H1 TIP3 6241 39.168 1.559 30.462 1.00 0.00 WT1 H ATOM 18561 H2 TIP3 6241 39.564 2.423 31.641 1.00 0.00 WT1 H ATOM 18562 OH2 TIP3 6242 85.349 22.796 6.432 1.00 0.00 WT1 O ATOM 18563 H1 TIP3 6242 85.984 22.152 6.117 1.00 0.00 WT1 H ATOM 18564 H2 TIP3 6242 85.516 22.857 7.373 1.00 0.00 WT1 H ATOM 18565 OH2 TIP3 6243 26.504 0.572 -8.872 1.00 0.00 WT1 O ATOM 18566 H1 TIP3 6243 26.634 1.488 -9.117 1.00 0.00 WT1 H ATOM 18567 H2 TIP3 6243 26.718 0.541 -7.939 1.00 0.00 WT1 H ATOM 18568 OH2 TIP3 6245 77.083 33.212 48.003 1.00 0.00 WT1 O ATOM 18569 H1 TIP3 6245 76.608 32.496 47.580 1.00 0.00 WT1 H ATOM 18570 H2 TIP3 6245 77.134 33.894 47.334 1.00 0.00 WT1 H ATOM 18571 OH2 TIP3 6246 33.237 10.873 -16.429 1.00 0.00 WT1 O ATOM 18572 H1 TIP3 6246 33.170 11.191 -17.330 1.00 0.00 WT1 H ATOM 18573 H2 TIP3 6246 32.966 9.956 -16.478 1.00 0.00 WT1 H ATOM 18574 OH2 TIP3 6248 53.501 83.184 22.543 1.00 0.00 WT1 O ATOM 18575 H1 TIP3 6248 53.426 82.613 23.307 1.00 0.00 WT1 H ATOM 18576 H2 TIP3 6248 52.993 83.962 22.774 1.00 0.00 WT1 H ATOM 18577 OH2 TIP3 6249 61.546 94.121 -12.569 1.00 0.00 WT1 O ATOM 18578 H1 TIP3 6249 61.135 93.961 -13.418 1.00 0.00 WT1 H ATOM 18579 H2 TIP3 6249 60.816 94.146 -11.950 1.00 0.00 WT1 H ATOM 18580 OH2 TIP3 6250 53.270 23.914 22.542 1.00 0.00 WT1 O ATOM 18581 H1 TIP3 6250 53.634 23.587 23.365 1.00 0.00 WT1 H ATOM 18582 H2 TIP3 6250 52.812 24.719 22.786 1.00 0.00 WT1 H ATOM 18583 OH2 TIP3 6251 89.846 71.996 38.535 1.00 0.00 WT1 O ATOM 18584 H1 TIP3 6251 89.879 71.910 37.582 1.00 0.00 WT1 H ATOM 18585 H2 TIP3 6251 90.737 72.242 38.784 1.00 0.00 WT1 H ATOM 18586 OH2 TIP3 6252 81.711 27.868 -6.901 1.00 0.00 WT1 O ATOM 18587 H1 TIP3 6252 81.652 27.887 -7.856 1.00 0.00 WT1 H ATOM 18588 H2 TIP3 6252 82.349 27.179 -6.714 1.00 0.00 WT1 H ATOM 18589 OH2 TIP3 6253 36.232 91.805 35.792 1.00 0.00 WT1 O ATOM 18590 H1 TIP3 6253 35.837 90.997 36.119 1.00 0.00 WT1 H ATOM 18591 H2 TIP3 6253 37.139 91.769 36.096 1.00 0.00 WT1 H ATOM 18592 OH2 TIP3 6254 56.395 83.088 37.567 1.00 0.00 WT1 O ATOM 18593 H1 TIP3 6254 57.213 82.648 37.800 1.00 0.00 WT1 H ATOM 18594 H2 TIP3 6254 55.797 82.376 37.337 1.00 0.00 WT1 H ATOM 18595 OH2 TIP3 6255 73.023 80.071 34.989 1.00 0.00 WT1 O ATOM 18596 H1 TIP3 6255 72.217 80.567 35.133 1.00 0.00 WT1 H ATOM 18597 H2 TIP3 6255 72.731 79.165 34.884 1.00 0.00 WT1 H ATOM 18598 OH2 TIP3 6256 38.001 59.868 59.008 1.00 0.00 WT1 O ATOM 18599 H1 TIP3 6256 37.650 60.518 58.399 1.00 0.00 WT1 H ATOM 18600 H2 TIP3 6256 37.802 59.025 58.600 1.00 0.00 WT1 H ATOM 18601 OH2 TIP3 6257 46.855 89.732 0.333 1.00 0.00 WT1 O ATOM 18602 H1 TIP3 6257 46.786 90.612 0.703 1.00 0.00 WT1 H ATOM 18603 H2 TIP3 6257 47.762 89.473 0.499 1.00 0.00 WT1 H ATOM 18604 OH2 TIP3 6258 48.447 26.525 36.353 1.00 0.00 WT1 O ATOM 18605 H1 TIP3 6258 48.072 26.397 35.481 1.00 0.00 WT1 H ATOM 18606 H2 TIP3 6258 47.881 27.179 36.764 1.00 0.00 WT1 H ATOM 18607 OH2 TIP3 6260 43.289 42.925 -2.186 1.00 0.00 WT1 O ATOM 18608 H1 TIP3 6260 42.773 43.651 -1.835 1.00 0.00 WT1 H ATOM 18609 H2 TIP3 6260 44.129 43.320 -2.421 1.00 0.00 WT1 H ATOM 18610 OH2 TIP3 6261 53.418 45.585 54.454 1.00 0.00 WT1 O ATOM 18611 H1 TIP3 6261 53.195 46.246 53.797 1.00 0.00 WT1 H ATOM 18612 H2 TIP3 6261 52.681 44.974 54.439 1.00 0.00 WT1 H ATOM 18613 OH2 TIP3 6262 57.329 21.400 9.530 1.00 0.00 WT1 O ATOM 18614 H1 TIP3 6262 57.624 21.996 10.219 1.00 0.00 WT1 H ATOM 18615 H2 TIP3 6262 56.477 21.086 9.832 1.00 0.00 WT1 H ATOM 18616 OH2 TIP3 6263 37.683 6.656 53.449 1.00 0.00 WT1 O ATOM 18617 H1 TIP3 6263 37.974 7.411 52.938 1.00 0.00 WT1 H ATOM 18618 H2 TIP3 6263 38.010 5.897 52.966 1.00 0.00 WT1 H ATOM 18619 OH2 TIP3 6264 86.643 25.811 -14.997 1.00 0.00 WT1 O ATOM 18620 H1 TIP3 6264 86.437 25.632 -14.079 1.00 0.00 WT1 H ATOM 18621 H2 TIP3 6264 87.177 25.067 -15.273 1.00 0.00 WT1 H ATOM 18622 OH2 TIP3 6266 38.360 7.858 44.642 1.00 0.00 WT1 O ATOM 18623 H1 TIP3 6266 38.140 7.410 45.458 1.00 0.00 WT1 H ATOM 18624 H2 TIP3 6266 37.853 7.398 43.972 1.00 0.00 WT1 H ATOM 18625 OH2 TIP3 6267 68.547 10.332 -17.933 1.00 0.00 WT1 O ATOM 18626 H1 TIP3 6267 68.661 10.377 -16.983 1.00 0.00 WT1 H ATOM 18627 H2 TIP3 6267 67.806 10.910 -18.113 1.00 0.00 WT1 H ATOM 18628 OH2 TIP3 6268 24.511 8.273 -13.269 1.00 0.00 WT1 O ATOM 18629 H1 TIP3 6268 23.823 7.616 -13.376 1.00 0.00 WT1 H ATOM 18630 H2 TIP3 6268 24.626 8.348 -12.322 1.00 0.00 WT1 H ATOM 18631 OH2 TIP3 6269 26.887 3.953 9.239 1.00 0.00 WT1 O ATOM 18632 H1 TIP3 6269 25.975 3.668 9.288 1.00 0.00 WT1 H ATOM 18633 H2 TIP3 6269 27.049 4.386 10.077 1.00 0.00 WT1 H ATOM 18634 OH2 TIP3 6270 58.736 95.166 28.927 1.00 0.00 WT1 O ATOM 18635 H1 TIP3 6270 59.121 95.630 29.670 1.00 0.00 WT1 H ATOM 18636 H2 TIP3 6270 59.444 94.614 28.595 1.00 0.00 WT1 H ATOM 18637 OH2 TIP3 6271 60.203 16.376 -17.311 1.00 0.00 WT1 O ATOM 18638 H1 TIP3 6271 60.900 15.825 -16.953 1.00 0.00 WT1 H ATOM 18639 H2 TIP3 6271 59.566 16.449 -16.600 1.00 0.00 WT1 H ATOM 18640 OH2 TIP3 6272 32.298 96.160 -7.627 1.00 0.00 WT1 O ATOM 18641 H1 TIP3 6272 32.637 97.044 -7.489 1.00 0.00 WT1 H ATOM 18642 H2 TIP3 6272 31.529 96.106 -7.059 1.00 0.00 WT1 H ATOM 18643 OH2 TIP3 6273 72.406 48.087 25.411 1.00 0.00 WT1 O ATOM 18644 H1 TIP3 6273 72.450 47.476 26.147 1.00 0.00 WT1 H ATOM 18645 H2 TIP3 6273 71.703 48.693 25.643 1.00 0.00 WT1 H ATOM 18646 OH2 TIP3 6274 77.356 18.276 51.090 1.00 0.00 WT1 O ATOM 18647 H1 TIP3 6274 76.602 17.723 50.888 1.00 0.00 WT1 H ATOM 18648 H2 TIP3 6274 78.085 17.868 50.623 1.00 0.00 WT1 H ATOM 18649 OH2 TIP3 6275 37.042 81.337 4.669 1.00 0.00 WT1 O ATOM 18650 H1 TIP3 6275 36.327 81.265 4.037 1.00 0.00 WT1 H ATOM 18651 H2 TIP3 6275 37.332 80.436 4.807 1.00 0.00 WT1 H ATOM 18652 OH2 TIP3 6276 72.899 69.234 60.068 1.00 0.00 WT1 O ATOM 18653 H1 TIP3 6276 73.580 69.879 60.262 1.00 0.00 WT1 H ATOM 18654 H2 TIP3 6276 73.219 68.774 59.292 1.00 0.00 WT1 H ATOM 18655 OH2 TIP3 6278 54.112 3.285 31.525 1.00 0.00 WT1 O ATOM 18656 H1 TIP3 6278 55.055 3.430 31.451 1.00 0.00 WT1 H ATOM 18657 H2 TIP3 6278 53.848 2.971 30.660 1.00 0.00 WT1 H ATOM 18658 OH2 TIP3 6279 25.077 40.367 -1.454 1.00 0.00 WT1 O ATOM 18659 H1 TIP3 6279 24.477 40.478 -2.192 1.00 0.00 WT1 H ATOM 18660 H2 TIP3 6279 25.016 41.190 -0.970 1.00 0.00 WT1 H ATOM 18661 OH2 TIP3 6280 54.220 90.849 31.225 1.00 0.00 WT1 O ATOM 18662 H1 TIP3 6280 54.364 90.278 31.979 1.00 0.00 WT1 H ATOM 18663 H2 TIP3 6280 53.700 90.321 30.620 1.00 0.00 WT1 H ATOM 18664 OH2 TIP3 6281 21.441 28.689 -19.989 1.00 0.00 WT1 O ATOM 18665 H1 TIP3 6281 20.961 29.486 -20.212 1.00 0.00 WT1 H ATOM 18666 H2 TIP3 6281 21.820 28.869 -19.129 1.00 0.00 WT1 H ATOM 18667 OH2 TIP3 6282 65.332 28.110 64.380 1.00 0.00 WT1 O ATOM 18668 H1 TIP3 6282 66.193 27.704 64.277 1.00 0.00 WT1 H ATOM 18669 H2 TIP3 6282 65.505 29.051 64.357 1.00 0.00 WT1 H ATOM 18670 OH2 TIP3 6283 43.675 60.318 -12.465 1.00 0.00 WT1 O ATOM 18671 H1 TIP3 6283 44.126 59.491 -12.294 1.00 0.00 WT1 H ATOM 18672 H2 TIP3 6283 43.275 60.550 -11.627 1.00 0.00 WT1 H ATOM 18673 OH2 TIP3 6284 75.656 75.461 51.576 1.00 0.00 WT1 O ATOM 18674 H1 TIP3 6284 75.539 75.695 50.655 1.00 0.00 WT1 H ATOM 18675 H2 TIP3 6284 76.299 74.753 51.564 1.00 0.00 WT1 H ATOM 18676 OH2 TIP3 6285 66.364 10.232 12.239 1.00 0.00 WT1 O ATOM 18677 H1 TIP3 6285 66.744 11.012 11.836 1.00 0.00 WT1 H ATOM 18678 H2 TIP3 6285 66.309 10.446 13.171 1.00 0.00 WT1 H ATOM 18679 OH2 TIP3 6286 52.395 85.862 44.727 1.00 0.00 WT1 O ATOM 18680 H1 TIP3 6286 52.241 86.779 44.499 1.00 0.00 WT1 H ATOM 18681 H2 TIP3 6286 51.871 85.367 44.096 1.00 0.00 WT1 H ATOM 18682 OH2 TIP3 6287 21.924 19.212 6.075 1.00 0.00 WT1 O ATOM 18683 H1 TIP3 6287 22.258 18.623 5.398 1.00 0.00 WT1 H ATOM 18684 H2 TIP3 6287 22.599 19.885 6.162 1.00 0.00 WT1 H ATOM 18685 OH2 TIP3 6288 67.403 2.712 25.973 1.00 0.00 WT1 O ATOM 18686 H1 TIP3 6288 67.127 1.943 26.472 1.00 0.00 WT1 H ATOM 18687 H2 TIP3 6288 68.309 2.525 25.727 1.00 0.00 WT1 H ATOM 18688 OH2 TIP3 6289 25.553 24.511 -11.005 1.00 0.00 WT1 O ATOM 18689 H1 TIP3 6289 25.722 23.583 -11.167 1.00 0.00 WT1 H ATOM 18690 H2 TIP3 6289 25.865 24.660 -10.113 1.00 0.00 WT1 H ATOM 18691 OH2 TIP3 6290 53.276 28.667 -6.575 1.00 0.00 WT1 O ATOM 18692 H1 TIP3 6290 52.878 29.377 -6.069 1.00 0.00 WT1 H ATOM 18693 H2 TIP3 6290 54.211 28.870 -6.578 1.00 0.00 WT1 H ATOM 18694 OH2 TIP3 6291 77.524 15.320 36.392 1.00 0.00 WT1 O ATOM 18695 H1 TIP3 6291 77.497 14.638 37.063 1.00 0.00 WT1 H ATOM 18696 H2 TIP3 6291 78.443 15.587 36.358 1.00 0.00 WT1 H ATOM 18697 OH2 TIP3 6292 58.979 17.701 -1.570 1.00 0.00 WT1 O ATOM 18698 H1 TIP3 6292 58.177 17.616 -1.054 1.00 0.00 WT1 H ATOM 18699 H2 TIP3 6292 59.174 18.638 -1.557 1.00 0.00 WT1 H ATOM 18700 OH2 TIP3 6293 37.199 84.392 -12.592 1.00 0.00 WT1 O ATOM 18701 H1 TIP3 6293 36.448 84.924 -12.854 1.00 0.00 WT1 H ATOM 18702 H2 TIP3 6293 37.161 83.625 -13.163 1.00 0.00 WT1 H ATOM 18703 OH2 TIP3 6294 20.904 67.174 -13.558 1.00 0.00 WT1 O ATOM 18704 H1 TIP3 6294 20.322 67.878 -13.271 1.00 0.00 WT1 H ATOM 18705 H2 TIP3 6294 21.753 67.394 -13.176 1.00 0.00 WT1 H ATOM 18706 OH2 TIP3 6295 79.424 92.723 50.626 1.00 0.00 WT1 O ATOM 18707 H1 TIP3 6295 79.608 92.812 49.691 1.00 0.00 WT1 H ATOM 18708 H2 TIP3 6295 78.673 92.132 50.668 1.00 0.00 WT1 H ATOM 18709 OH2 TIP3 6296 49.476 15.302 36.194 1.00 0.00 WT1 O ATOM 18710 H1 TIP3 6296 48.804 15.173 35.526 1.00 0.00 WT1 H ATOM 18711 H2 TIP3 6296 49.558 14.449 36.620 1.00 0.00 WT1 H ATOM 18712 OH2 TIP3 6297 67.132 33.167 0.230 1.00 0.00 WT1 O ATOM 18713 H1 TIP3 6297 66.585 33.916 0.465 1.00 0.00 WT1 H ATOM 18714 H2 TIP3 6297 68.030 33.485 0.328 1.00 0.00 WT1 H ATOM 18715 OH2 TIP3 6298 77.336 18.362 -6.042 1.00 0.00 WT1 O ATOM 18716 H1 TIP3 6298 76.745 17.717 -5.654 1.00 0.00 WT1 H ATOM 18717 H2 TIP3 6298 77.754 18.786 -5.293 1.00 0.00 WT1 H ATOM 18718 OH2 TIP3 6299 44.984 95.043 36.622 1.00 0.00 WT1 O ATOM 18719 H1 TIP3 6299 45.568 94.729 35.931 1.00 0.00 WT1 H ATOM 18720 H2 TIP3 6299 45.330 95.904 36.856 1.00 0.00 WT1 H ATOM 18721 OH2 TIP3 6300 76.152 32.116 -12.962 1.00 0.00 WT1 O ATOM 18722 H1 TIP3 6300 76.434 32.870 -13.480 1.00 0.00 WT1 H ATOM 18723 H2 TIP3 6300 75.229 32.001 -13.189 1.00 0.00 WT1 H ATOM 18724 OH2 TIP3 6301 77.782 94.748 20.845 1.00 0.00 WT1 O ATOM 18725 H1 TIP3 6301 78.061 95.334 20.141 1.00 0.00 WT1 H ATOM 18726 H2 TIP3 6301 76.988 94.332 20.510 1.00 0.00 WT1 H ATOM 18727 OH2 TIP3 6302 86.457 11.672 7.100 1.00 0.00 WT1 O ATOM 18728 H1 TIP3 6302 86.053 11.958 7.919 1.00 0.00 WT1 H ATOM 18729 H2 TIP3 6302 85.748 11.711 6.457 1.00 0.00 WT1 H ATOM 18730 OH2 TIP3 6303 74.991 7.648 52.907 1.00 0.00 WT1 O ATOM 18731 H1 TIP3 6303 75.504 7.266 52.194 1.00 0.00 WT1 H ATOM 18732 H2 TIP3 6303 74.133 7.230 52.835 1.00 0.00 WT1 H ATOM 18733 OH2 TIP3 6304 36.646 61.514 21.432 1.00 0.00 WT1 O ATOM 18734 H1 TIP3 6304 36.692 62.104 20.680 1.00 0.00 WT1 H ATOM 18735 H2 TIP3 6304 37.523 61.135 21.493 1.00 0.00 WT1 H ATOM 18736 OH2 TIP3 6305 73.585 10.801 2.234 1.00 0.00 WT1 O ATOM 18737 H1 TIP3 6305 74.482 10.781 2.570 1.00 0.00 WT1 H ATOM 18738 H2 TIP3 6305 73.357 9.881 2.104 1.00 0.00 WT1 H ATOM 18739 OH2 TIP3 6306 54.929 29.834 41.197 1.00 0.00 WT1 O ATOM 18740 H1 TIP3 6306 54.035 30.174 41.244 1.00 0.00 WT1 H ATOM 18741 H2 TIP3 6306 55.476 30.611 41.082 1.00 0.00 WT1 H ATOM 18742 OH2 TIP3 6307 60.697 77.872 27.552 1.00 0.00 WT1 O ATOM 18743 H1 TIP3 6307 60.428 78.720 27.201 1.00 0.00 WT1 H ATOM 18744 H2 TIP3 6307 60.156 77.236 27.084 1.00 0.00 WT1 H ATOM 18745 OH2 TIP3 6308 39.789 64.226 -5.316 1.00 0.00 WT1 O ATOM 18746 H1 TIP3 6308 40.371 64.116 -4.564 1.00 0.00 WT1 H ATOM 18747 H2 TIP3 6308 39.168 64.901 -5.043 1.00 0.00 WT1 H ATOM 18748 OH2 TIP3 6309 49.866 16.251 5.922 1.00 0.00 WT1 O ATOM 18749 H1 TIP3 6309 49.487 15.959 5.093 1.00 0.00 WT1 H ATOM 18750 H2 TIP3 6309 49.727 15.517 6.521 1.00 0.00 WT1 H ATOM 18751 OH2 TIP3 6310 76.360 78.004 44.294 1.00 0.00 WT1 O ATOM 18752 H1 TIP3 6310 75.684 78.274 43.673 1.00 0.00 WT1 H ATOM 18753 H2 TIP3 6310 76.707 77.189 43.931 1.00 0.00 WT1 H ATOM 18754 OH2 TIP3 6311 81.012 87.587 17.427 1.00 0.00 WT1 O ATOM 18755 H1 TIP3 6311 80.814 87.926 18.300 1.00 0.00 WT1 H ATOM 18756 H2 TIP3 6311 80.976 86.636 17.524 1.00 0.00 WT1 H ATOM 18757 OH2 TIP3 6312 61.756 21.513 -0.884 1.00 0.00 WT1 O ATOM 18758 H1 TIP3 6312 62.380 21.690 -0.180 1.00 0.00 WT1 H ATOM 18759 H2 TIP3 6312 62.098 20.731 -1.316 1.00 0.00 WT1 H ATOM 18760 OH2 TIP3 6313 39.864 22.154 2.164 1.00 0.00 WT1 O ATOM 18761 H1 TIP3 6313 39.729 22.994 2.604 1.00 0.00 WT1 H ATOM 18762 H2 TIP3 6313 39.666 21.499 2.834 1.00 0.00 WT1 H ATOM 18763 OH2 TIP3 6315 65.049 43.825 -15.091 1.00 0.00 WT1 O ATOM 18764 H1 TIP3 6315 65.151 44.763 -14.925 1.00 0.00 WT1 H ATOM 18765 H2 TIP3 6315 64.641 43.485 -14.294 1.00 0.00 WT1 H ATOM 18766 OH2 TIP3 6316 76.468 62.461 28.471 1.00 0.00 WT1 O ATOM 18767 H1 TIP3 6316 75.931 63.015 27.903 1.00 0.00 WT1 H ATOM 18768 H2 TIP3 6316 75.871 61.776 28.771 1.00 0.00 WT1 H ATOM 18769 OH2 TIP3 6317 44.459 30.202 -7.350 1.00 0.00 WT1 O ATOM 18770 H1 TIP3 6317 43.789 30.803 -7.027 1.00 0.00 WT1 H ATOM 18771 H2 TIP3 6317 43.973 29.550 -7.856 1.00 0.00 WT1 H ATOM 18772 OH2 TIP3 6318 66.945 34.754 37.245 1.00 0.00 WT1 O ATOM 18773 H1 TIP3 6318 67.102 35.133 38.110 1.00 0.00 WT1 H ATOM 18774 H2 TIP3 6318 66.989 35.498 36.645 1.00 0.00 WT1 H ATOM 18775 OH2 TIP3 6319 48.120 36.944 62.282 1.00 0.00 WT1 O ATOM 18776 H1 TIP3 6319 47.934 36.631 63.167 1.00 0.00 WT1 H ATOM 18777 H2 TIP3 6319 48.345 37.868 62.396 1.00 0.00 WT1 H ATOM 18778 OH2 TIP3 6320 59.362 50.098 60.615 1.00 0.00 WT1 O ATOM 18779 H1 TIP3 6320 59.451 49.747 59.729 1.00 0.00 WT1 H ATOM 18780 H2 TIP3 6320 59.072 51.001 60.487 1.00 0.00 WT1 H ATOM 18781 OH2 TIP3 6321 53.698 38.787 -2.596 1.00 0.00 WT1 O ATOM 18782 H1 TIP3 6321 52.926 38.866 -2.035 1.00 0.00 WT1 H ATOM 18783 H2 TIP3 6321 53.471 38.098 -3.220 1.00 0.00 WT1 H ATOM 18784 OH2 TIP3 6323 25.364 10.269 60.861 1.00 0.00 WT1 O ATOM 18785 H1 TIP3 6323 24.979 9.653 60.238 1.00 0.00 WT1 H ATOM 18786 H2 TIP3 6323 25.587 9.734 61.622 1.00 0.00 WT1 H ATOM 18787 OH2 TIP3 6324 49.298 28.635 59.212 1.00 0.00 WT1 O ATOM 18788 H1 TIP3 6324 49.657 29.340 58.674 1.00 0.00 WT1 H ATOM 18789 H2 TIP3 6324 50.054 28.088 59.426 1.00 0.00 WT1 H ATOM 18790 OH2 TIP3 6325 38.787 5.633 -4.209 1.00 0.00 WT1 O ATOM 18791 H1 TIP3 6325 38.483 4.995 -3.563 1.00 0.00 WT1 H ATOM 18792 H2 TIP3 6325 37.992 5.908 -4.667 1.00 0.00 WT1 H ATOM 18793 OH2 TIP3 6326 81.507 52.831 48.390 1.00 0.00 WT1 O ATOM 18794 H1 TIP3 6326 81.872 53.024 49.254 1.00 0.00 WT1 H ATOM 18795 H2 TIP3 6326 81.011 53.616 48.158 1.00 0.00 WT1 H ATOM 18796 OH2 TIP3 6327 72.373 25.481 13.875 1.00 0.00 WT1 O ATOM 18797 H1 TIP3 6327 73.168 25.244 14.352 1.00 0.00 WT1 H ATOM 18798 H2 TIP3 6327 71.674 25.416 14.526 1.00 0.00 WT1 H ATOM 18799 OH2 TIP3 6328 66.885 14.286 65.002 1.00 0.00 WT1 O ATOM 18800 H1 TIP3 6328 67.730 13.872 64.828 1.00 0.00 WT1 H ATOM 18801 H2 TIP3 6328 66.581 14.583 64.145 1.00 0.00 WT1 H ATOM 18802 OH2 TIP3 6329 37.309 89.688 52.192 1.00 0.00 WT1 O ATOM 18803 H1 TIP3 6329 36.413 89.369 52.301 1.00 0.00 WT1 H ATOM 18804 H2 TIP3 6329 37.383 89.880 51.258 1.00 0.00 WT1 H ATOM 18805 OH2 TIP3 6330 74.589 48.539 33.988 1.00 0.00 WT1 O ATOM 18806 H1 TIP3 6330 73.986 49.233 33.721 1.00 0.00 WT1 H ATOM 18807 H2 TIP3 6330 75.208 48.972 34.575 1.00 0.00 WT1 H ATOM 18808 OH2 TIP3 6331 69.579 2.328 1.451 1.00 0.00 WT1 O ATOM 18809 H1 TIP3 6331 70.037 2.554 0.642 1.00 0.00 WT1 H ATOM 18810 H2 TIP3 6331 69.290 3.168 1.807 1.00 0.00 WT1 H ATOM 18811 OH2 TIP3 6332 70.824 89.015 -20.106 1.00 0.00 WT1 O ATOM 18812 H1 TIP3 6332 71.148 88.993 -19.206 1.00 0.00 WT1 H ATOM 18813 H2 TIP3 6332 70.048 88.454 -20.096 1.00 0.00 WT1 H ATOM 18814 OH2 TIP3 6333 59.456 18.552 -18.750 1.00 0.00 WT1 O ATOM 18815 H1 TIP3 6333 59.611 17.700 -18.341 1.00 0.00 WT1 H ATOM 18816 H2 TIP3 6333 58.743 18.395 -19.369 1.00 0.00 WT1 H ATOM 18817 OH2 TIP3 6334 44.943 21.392 35.947 1.00 0.00 WT1 O ATOM 18818 H1 TIP3 6334 44.711 22.227 36.353 1.00 0.00 WT1 H ATOM 18819 H2 TIP3 6334 45.831 21.525 35.615 1.00 0.00 WT1 H ATOM 18820 OH2 TIP3 6335 47.138 43.519 30.290 1.00 0.00 WT1 O ATOM 18821 H1 TIP3 6335 46.889 43.152 29.442 1.00 0.00 WT1 H ATOM 18822 H2 TIP3 6335 48.096 43.508 30.285 1.00 0.00 WT1 H ATOM 18823 OH2 TIP3 6336 56.155 91.478 -18.304 1.00 0.00 WT1 O ATOM 18824 H1 TIP3 6336 55.593 92.198 -18.593 1.00 0.00 WT1 H ATOM 18825 H2 TIP3 6336 55.561 90.734 -18.209 1.00 0.00 WT1 H ATOM 18826 OH2 TIP3 6337 70.719 96.311 43.916 1.00 0.00 WT1 O ATOM 18827 H1 TIP3 6337 70.987 97.200 43.682 1.00 0.00 WT1 H ATOM 18828 H2 TIP3 6337 70.215 96.416 44.723 1.00 0.00 WT1 H ATOM 18829 OH2 TIP3 6338 25.440 54.213 55.119 1.00 0.00 WT1 O ATOM 18830 H1 TIP3 6338 24.529 53.988 54.930 1.00 0.00 WT1 H ATOM 18831 H2 TIP3 6338 25.440 55.166 55.198 1.00 0.00 WT1 H ATOM 18832 OH2 TIP3 6339 49.738 31.866 -13.568 1.00 0.00 WT1 O ATOM 18833 H1 TIP3 6339 49.576 30.978 -13.886 1.00 0.00 WT1 H ATOM 18834 H2 TIP3 6339 50.250 31.744 -12.768 1.00 0.00 WT1 H ATOM 18835 OH2 TIP3 6340 78.562 73.934 5.783 1.00 0.00 WT1 O ATOM 18836 H1 TIP3 6340 79.005 74.135 6.608 1.00 0.00 WT1 H ATOM 18837 H2 TIP3 6340 78.210 73.053 5.909 1.00 0.00 WT1 H ATOM 18838 OH2 TIP3 6341 27.183 23.192 62.680 1.00 0.00 WT1 O ATOM 18839 H1 TIP3 6341 27.267 24.128 62.861 1.00 0.00 WT1 H ATOM 18840 H2 TIP3 6341 26.265 23.077 62.431 1.00 0.00 WT1 H ATOM 18841 OH2 TIP3 6342 55.450 28.165 8.535 1.00 0.00 WT1 O ATOM 18842 H1 TIP3 6342 55.277 27.629 9.309 1.00 0.00 WT1 H ATOM 18843 H2 TIP3 6342 56.396 28.309 8.549 1.00 0.00 WT1 H ATOM 18844 OH2 TIP3 6344 83.617 45.175 8.975 1.00 0.00 WT1 O ATOM 18845 H1 TIP3 6344 84.375 45.744 8.845 1.00 0.00 WT1 H ATOM 18846 H2 TIP3 6344 83.872 44.597 9.695 1.00 0.00 WT1 H ATOM 18847 OH2 TIP3 6345 75.062 45.226 30.903 1.00 0.00 WT1 O ATOM 18848 H1 TIP3 6345 75.802 45.541 30.384 1.00 0.00 WT1 H ATOM 18849 H2 TIP3 6345 74.411 45.925 30.842 1.00 0.00 WT1 H ATOM 18850 OH2 TIP3 6346 77.362 36.854 13.896 1.00 0.00 WT1 O ATOM 18851 H1 TIP3 6346 76.653 36.983 13.267 1.00 0.00 WT1 H ATOM 18852 H2 TIP3 6346 77.916 37.628 13.797 1.00 0.00 WT1 H ATOM 18853 OH2 TIP3 6347 87.389 28.455 60.895 1.00 0.00 WT1 O ATOM 18854 H1 TIP3 6347 87.370 28.909 60.053 1.00 0.00 WT1 H ATOM 18855 H2 TIP3 6347 87.486 27.530 60.667 1.00 0.00 WT1 H ATOM 18856 OH2 TIP3 6348 68.068 70.493 27.873 1.00 0.00 WT1 O ATOM 18857 H1 TIP3 6348 67.375 70.149 27.310 1.00 0.00 WT1 H ATOM 18858 H2 TIP3 6348 68.138 71.416 27.630 1.00 0.00 WT1 H ATOM 18859 OH2 TIP3 6349 88.100 46.733 25.928 1.00 0.00 WT1 O ATOM 18860 H1 TIP3 6349 87.567 47.178 26.587 1.00 0.00 WT1 H ATOM 18861 H2 TIP3 6349 88.193 47.373 25.223 1.00 0.00 WT1 H ATOM 18862 OH2 TIP3 6351 81.397 39.205 42.598 1.00 0.00 WT1 O ATOM 18863 H1 TIP3 6351 80.580 39.696 42.678 1.00 0.00 WT1 H ATOM 18864 H2 TIP3 6351 81.472 39.014 41.662 1.00 0.00 WT1 H ATOM 18865 OH2 TIP3 6352 45.660 4.206 45.536 1.00 0.00 WT1 O ATOM 18866 H1 TIP3 6352 46.043 3.453 45.086 1.00 0.00 WT1 H ATOM 18867 H2 TIP3 6352 46.379 4.566 46.056 1.00 0.00 WT1 H ATOM 18868 OH2 TIP3 6353 45.183 68.024 -13.106 1.00 0.00 WT1 O ATOM 18869 H1 TIP3 6353 44.694 68.743 -12.706 1.00 0.00 WT1 H ATOM 18870 H2 TIP3 6353 46.082 68.346 -13.162 1.00 0.00 WT1 H ATOM 18871 OH2 TIP3 6354 37.461 39.219 9.452 1.00 0.00 WT1 O ATOM 18872 H1 TIP3 6354 37.367 39.485 10.367 1.00 0.00 WT1 H ATOM 18873 H2 TIP3 6354 38.118 39.816 9.094 1.00 0.00 WT1 H ATOM 18874 OH2 TIP3 6356 73.639 12.876 0.233 1.00 0.00 WT1 O ATOM 18875 H1 TIP3 6356 73.728 12.214 0.919 1.00 0.00 WT1 H ATOM 18876 H2 TIP3 6356 72.842 12.629 -0.237 1.00 0.00 WT1 H ATOM 18877 OH2 TIP3 6357 74.940 93.826 37.459 1.00 0.00 WT1 O ATOM 18878 H1 TIP3 6357 75.036 92.908 37.715 1.00 0.00 WT1 H ATOM 18879 H2 TIP3 6357 75.330 94.318 38.182 1.00 0.00 WT1 H ATOM 18880 OH2 TIP3 6358 76.132 3.332 -2.911 1.00 0.00 WT1 O ATOM 18881 H1 TIP3 6358 75.315 3.813 -2.778 1.00 0.00 WT1 H ATOM 18882 H2 TIP3 6358 76.608 3.846 -3.563 1.00 0.00 WT1 H ATOM 18883 OH2 TIP3 6359 81.239 33.236 26.086 1.00 0.00 WT1 O ATOM 18884 H1 TIP3 6359 81.112 34.012 25.540 1.00 0.00 WT1 H ATOM 18885 H2 TIP3 6359 80.464 32.698 25.924 1.00 0.00 WT1 H ATOM 18886 OH2 TIP3 6360 78.452 35.997 -6.164 1.00 0.00 WT1 O ATOM 18887 H1 TIP3 6360 78.650 35.061 -6.189 1.00 0.00 WT1 H ATOM 18888 H2 TIP3 6360 78.670 36.312 -7.042 1.00 0.00 WT1 H ATOM 18889 OH2 TIP3 6362 68.002 94.460 34.527 1.00 0.00 WT1 O ATOM 18890 H1 TIP3 6362 68.958 94.414 34.534 1.00 0.00 WT1 H ATOM 18891 H2 TIP3 6362 67.750 94.089 33.681 1.00 0.00 WT1 H ATOM 18892 OH2 TIP3 6363 60.550 58.964 38.674 1.00 0.00 WT1 O ATOM 18893 H1 TIP3 6363 59.868 58.306 38.805 1.00 0.00 WT1 H ATOM 18894 H2 TIP3 6363 61.297 58.472 38.333 1.00 0.00 WT1 H ATOM 18895 OH2 TIP3 6364 33.808 90.122 -17.551 1.00 0.00 WT1 O ATOM 18896 H1 TIP3 6364 34.151 89.501 -16.908 1.00 0.00 WT1 H ATOM 18897 H2 TIP3 6364 34.523 90.240 -18.175 1.00 0.00 WT1 H ATOM 18898 OH2 TIP3 6365 67.572 80.219 50.558 1.00 0.00 WT1 O ATOM 18899 H1 TIP3 6365 67.801 79.662 51.302 1.00 0.00 WT1 H ATOM 18900 H2 TIP3 6365 66.830 79.777 50.146 1.00 0.00 WT1 H ATOM 18901 OH2 TIP3 6366 85.574 72.044 27.234 1.00 0.00 WT1 O ATOM 18902 H1 TIP3 6366 86.260 72.711 27.246 1.00 0.00 WT1 H ATOM 18903 H2 TIP3 6366 85.784 71.497 26.477 1.00 0.00 WT1 H ATOM 18904 OH2 TIP3 6367 37.202 49.867 -6.559 1.00 0.00 WT1 O ATOM 18905 H1 TIP3 6367 36.586 49.548 -7.219 1.00 0.00 WT1 H ATOM 18906 H2 TIP3 6367 37.407 50.761 -6.835 1.00 0.00 WT1 H ATOM 18907 OH2 TIP3 6368 40.326 81.662 -6.089 1.00 0.00 WT1 O ATOM 18908 H1 TIP3 6368 40.858 81.318 -5.372 1.00 0.00 WT1 H ATOM 18909 H2 TIP3 6368 39.499 81.185 -6.025 1.00 0.00 WT1 H ATOM 18910 OH2 TIP3 6369 54.899 18.158 1.831 1.00 0.00 WT1 O ATOM 18911 H1 TIP3 6369 54.268 18.713 2.290 1.00 0.00 WT1 H ATOM 18912 H2 TIP3 6369 54.928 17.351 2.346 1.00 0.00 WT1 H ATOM 18913 OH2 TIP3 6370 21.726 24.040 12.166 1.00 0.00 WT1 O ATOM 18914 H1 TIP3 6370 22.538 24.497 12.388 1.00 0.00 WT1 H ATOM 18915 H2 TIP3 6370 22.012 23.251 11.707 1.00 0.00 WT1 H ATOM 18916 OH2 TIP3 6371 39.344 85.359 42.181 1.00 0.00 WT1 O ATOM 18917 H1 TIP3 6371 39.677 84.461 42.195 1.00 0.00 WT1 H ATOM 18918 H2 TIP3 6371 39.704 85.736 41.379 1.00 0.00 WT1 H ATOM 18919 OH2 TIP3 6372 44.660 12.597 62.933 1.00 0.00 WT1 O ATOM 18920 H1 TIP3 6372 45.393 11.986 63.008 1.00 0.00 WT1 H ATOM 18921 H2 TIP3 6372 44.410 12.561 62.010 1.00 0.00 WT1 H ATOM 18922 OH2 TIP3 6373 28.517 32.134 66.405 1.00 0.00 WT1 O ATOM 18923 H1 TIP3 6373 28.869 31.245 66.387 1.00 0.00 WT1 H ATOM 18924 H2 TIP3 6373 28.191 32.245 67.299 1.00 0.00 WT1 H ATOM 18925 OH2 TIP3 6374 66.574 40.681 5.132 1.00 0.00 WT1 O ATOM 18926 H1 TIP3 6374 65.770 41.078 4.799 1.00 0.00 WT1 H ATOM 18927 H2 TIP3 6374 66.366 40.438 6.034 1.00 0.00 WT1 H ATOM 18928 OH2 TIP3 6375 71.834 49.345 16.452 1.00 0.00 WT1 O ATOM 18929 H1 TIP3 6375 71.184 49.255 17.149 1.00 0.00 WT1 H ATOM 18930 H2 TIP3 6375 71.420 49.922 15.811 1.00 0.00 WT1 H ATOM 18931 OH2 TIP3 6377 43.884 16.344 57.466 1.00 0.00 WT1 O ATOM 18932 H1 TIP3 6377 44.112 17.266 57.586 1.00 0.00 WT1 H ATOM 18933 H2 TIP3 6377 43.484 16.086 58.296 1.00 0.00 WT1 H ATOM 18934 OH2 TIP3 6379 57.200 88.439 49.065 1.00 0.00 WT1 O ATOM 18935 H1 TIP3 6379 56.913 87.527 49.017 1.00 0.00 WT1 H ATOM 18936 H2 TIP3 6379 56.706 88.808 49.797 1.00 0.00 WT1 H ATOM 18937 OH2 TIP3 6380 87.220 23.978 65.215 1.00 0.00 WT1 O ATOM 18938 H1 TIP3 6380 86.540 24.563 64.880 1.00 0.00 WT1 H ATOM 18939 H2 TIP3 6380 86.983 23.835 66.131 1.00 0.00 WT1 H ATOM 18940 OH2 TIP3 6381 71.770 1.368 60.253 1.00 0.00 WT1 O ATOM 18941 H1 TIP3 6381 71.127 2.075 60.201 1.00 0.00 WT1 H ATOM 18942 H2 TIP3 6381 71.331 0.680 60.753 1.00 0.00 WT1 H ATOM 18943 OH2 TIP3 6382 66.171 34.429 53.156 1.00 0.00 WT1 O ATOM 18944 H1 TIP3 6382 65.630 33.671 53.378 1.00 0.00 WT1 H ATOM 18945 H2 TIP3 6382 65.563 35.049 52.754 1.00 0.00 WT1 H ATOM 18946 OH2 TIP3 6383 76.278 42.853 -5.402 1.00 0.00 WT1 O ATOM 18947 H1 TIP3 6383 76.062 43.345 -4.610 1.00 0.00 WT1 H ATOM 18948 H2 TIP3 6383 76.805 43.458 -5.924 1.00 0.00 WT1 H ATOM 18949 OH2 TIP3 6384 82.966 47.147 59.966 1.00 0.00 WT1 O ATOM 18950 H1 TIP3 6384 82.077 47.148 59.612 1.00 0.00 WT1 H ATOM 18951 H2 TIP3 6384 83.047 47.991 60.411 1.00 0.00 WT1 H ATOM 18952 OH2 TIP3 6385 25.174 24.299 37.240 1.00 0.00 WT1 O ATOM 18953 H1 TIP3 6385 25.119 24.923 37.964 1.00 0.00 WT1 H ATOM 18954 H2 TIP3 6385 25.507 24.813 36.504 1.00 0.00 WT1 H ATOM 18955 OH2 TIP3 6386 55.654 84.803 57.665 1.00 0.00 WT1 O ATOM 18956 H1 TIP3 6386 54.878 85.344 57.813 1.00 0.00 WT1 H ATOM 18957 H2 TIP3 6386 56.213 85.334 57.098 1.00 0.00 WT1 H ATOM 18958 OH2 TIP3 6387 58.651 27.827 -10.655 1.00 0.00 WT1 O ATOM 18959 H1 TIP3 6387 57.703 27.943 -10.715 1.00 0.00 WT1 H ATOM 18960 H2 TIP3 6387 58.767 26.901 -10.441 1.00 0.00 WT1 H ATOM 18961 OH2 TIP3 6388 90.340 4.022 -17.454 1.00 0.00 WT1 O ATOM 18962 H1 TIP3 6388 90.606 3.102 -17.461 1.00 0.00 WT1 H ATOM 18963 H2 TIP3 6388 89.494 4.023 -17.007 1.00 0.00 WT1 H ATOM 18964 OH2 TIP3 6389 88.669 48.809 23.934 1.00 0.00 WT1 O ATOM 18965 H1 TIP3 6389 88.529 48.050 23.368 1.00 0.00 WT1 H ATOM 18966 H2 TIP3 6389 88.245 49.533 23.473 1.00 0.00 WT1 H ATOM 18967 OH2 TIP3 6390 30.615 78.933 19.947 1.00 0.00 WT1 O ATOM 18968 H1 TIP3 6390 30.683 79.139 19.015 1.00 0.00 WT1 H ATOM 18969 H2 TIP3 6390 30.481 77.985 19.974 1.00 0.00 WT1 H ATOM 18970 OH2 TIP3 6391 76.081 27.076 9.547 1.00 0.00 WT1 O ATOM 18971 H1 TIP3 6391 76.202 26.368 8.915 1.00 0.00 WT1 H ATOM 18972 H2 TIP3 6391 75.139 27.242 9.544 1.00 0.00 WT1 H ATOM 18973 OH2 TIP3 6392 33.559 38.210 0.450 1.00 0.00 WT1 O ATOM 18974 H1 TIP3 6392 33.483 38.138 1.402 1.00 0.00 WT1 H ATOM 18975 H2 TIP3 6392 34.387 37.776 0.242 1.00 0.00 WT1 H ATOM 18976 OH2 TIP3 6393 77.271 85.700 0.445 1.00 0.00 WT1 O ATOM 18977 H1 TIP3 6393 77.068 85.564 1.371 1.00 0.00 WT1 H ATOM 18978 H2 TIP3 6393 76.441 85.551 -0.007 1.00 0.00 WT1 H ATOM 18979 OH2 TIP3 6394 73.469 54.182 -13.966 1.00 0.00 WT1 O ATOM 18980 H1 TIP3 6394 72.931 53.391 -13.983 1.00 0.00 WT1 H ATOM 18981 H2 TIP3 6394 73.590 54.370 -13.035 1.00 0.00 WT1 H ATOM 18982 OH2 TIP3 6395 41.451 33.723 -13.358 1.00 0.00 WT1 O ATOM 18983 H1 TIP3 6395 41.198 34.362 -12.692 1.00 0.00 WT1 H ATOM 18984 H2 TIP3 6395 41.440 34.215 -14.179 1.00 0.00 WT1 H ATOM 18985 OH2 TIP3 6396 43.381 6.015 16.823 1.00 0.00 WT1 O ATOM 18986 H1 TIP3 6396 43.594 5.150 16.472 1.00 0.00 WT1 H ATOM 18987 H2 TIP3 6396 42.529 5.899 17.244 1.00 0.00 WT1 H ATOM 18988 OH2 TIP3 6397 68.808 23.194 27.629 1.00 0.00 WT1 O ATOM 18989 H1 TIP3 6397 68.779 22.543 26.928 1.00 0.00 WT1 H ATOM 18990 H2 TIP3 6397 69.182 23.973 27.218 1.00 0.00 WT1 H ATOM 18991 OH2 TIP3 6400 37.948 91.589 4.105 1.00 0.00 WT1 O ATOM 18992 H1 TIP3 6400 37.820 91.347 3.188 1.00 0.00 WT1 H ATOM 18993 H2 TIP3 6400 37.341 92.315 4.249 1.00 0.00 WT1 H ATOM 18994 OH2 TIP3 6401 39.996 85.346 28.337 1.00 0.00 WT1 O ATOM 18995 H1 TIP3 6401 40.179 84.408 28.395 1.00 0.00 WT1 H ATOM 18996 H2 TIP3 6401 40.853 85.749 28.196 1.00 0.00 WT1 H ATOM 18997 OH2 TIP3 6402 71.177 42.382 4.106 1.00 0.00 WT1 O ATOM 18998 H1 TIP3 6402 72.029 42.366 4.541 1.00 0.00 WT1 H ATOM 18999 H2 TIP3 6402 70.599 42.828 4.725 1.00 0.00 WT1 H ATOM 19000 OH2 TIP3 6403 54.872 51.881 -14.091 1.00 0.00 WT1 O ATOM 19001 H1 TIP3 6403 55.586 52.302 -13.613 1.00 0.00 WT1 H ATOM 19002 H2 TIP3 6403 54.800 51.011 -13.697 1.00 0.00 WT1 H ATOM 19003 OH2 TIP3 6404 51.301 36.190 -17.104 1.00 0.00 WT1 O ATOM 19004 H1 TIP3 6404 51.693 36.397 -16.256 1.00 0.00 WT1 H ATOM 19005 H2 TIP3 6404 51.589 35.296 -17.289 1.00 0.00 WT1 H ATOM 19006 OH2 TIP3 6406 39.745 29.667 36.070 1.00 0.00 WT1 O ATOM 19007 H1 TIP3 6406 40.290 30.403 35.791 1.00 0.00 WT1 H ATOM 19008 H2 TIP3 6406 40.370 28.994 36.340 1.00 0.00 WT1 H ATOM 19009 OH2 TIP3 6407 43.619 40.621 -6.603 1.00 0.00 WT1 O ATOM 19010 H1 TIP3 6407 42.738 40.530 -6.239 1.00 0.00 WT1 H ATOM 19011 H2 TIP3 6407 44.079 39.832 -6.317 1.00 0.00 WT1 H ATOM 19012 OH2 TIP3 6408 22.329 90.261 -13.348 1.00 0.00 WT1 O ATOM 19013 H1 TIP3 6408 23.212 89.967 -13.574 1.00 0.00 WT1 H ATOM 19014 H2 TIP3 6408 22.362 90.417 -12.405 1.00 0.00 WT1 H ATOM 19015 OH2 TIP3 6409 64.149 12.103 52.173 1.00 0.00 WT1 O ATOM 19016 H1 TIP3 6409 64.990 12.354 51.792 1.00 0.00 WT1 H ATOM 19017 H2 TIP3 6409 64.200 11.152 52.263 1.00 0.00 WT1 H ATOM 19018 OH2 TIP3 6410 63.646 19.114 49.641 1.00 0.00 WT1 O ATOM 19019 H1 TIP3 6410 63.331 18.427 50.227 1.00 0.00 WT1 H ATOM 19020 H2 TIP3 6410 63.268 18.895 48.789 1.00 0.00 WT1 H ATOM 19021 OH2 TIP3 6411 56.302 32.747 4.820 1.00 0.00 WT1 O ATOM 19022 H1 TIP3 6411 56.297 32.022 5.444 1.00 0.00 WT1 H ATOM 19023 H2 TIP3 6411 56.410 33.529 5.361 1.00 0.00 WT1 H ATOM 19024 OH2 TIP3 6412 38.627 86.603 59.560 1.00 0.00 WT1 O ATOM 19025 H1 TIP3 6412 37.861 86.518 60.128 1.00 0.00 WT1 H ATOM 19026 H2 TIP3 6412 39.333 86.172 60.042 1.00 0.00 WT1 H ATOM 19027 OH2 TIP3 6413 28.435 57.658 58.213 1.00 0.00 WT1 O ATOM 19028 H1 TIP3 6413 27.862 58.405 58.037 1.00 0.00 WT1 H ATOM 19029 H2 TIP3 6413 29.286 58.049 58.411 1.00 0.00 WT1 H ATOM 19030 OH2 TIP3 6415 70.587 38.164 -14.648 1.00 0.00 WT1 O ATOM 19031 H1 TIP3 6415 70.873 38.739 -13.939 1.00 0.00 WT1 H ATOM 19032 H2 TIP3 6415 70.538 37.296 -14.248 1.00 0.00 WT1 H ATOM 19033 OH2 TIP3 6417 59.073 21.350 52.887 1.00 0.00 WT1 O ATOM 19034 H1 TIP3 6417 58.662 21.467 52.031 1.00 0.00 WT1 H ATOM 19035 H2 TIP3 6417 59.116 22.233 53.256 1.00 0.00 WT1 H ATOM 19036 OH2 TIP3 6418 80.380 54.525 36.209 1.00 0.00 WT1 O ATOM 19037 H1 TIP3 6418 79.729 55.166 36.495 1.00 0.00 WT1 H ATOM 19038 H2 TIP3 6418 81.048 55.045 35.762 1.00 0.00 WT1 H ATOM 19039 OH2 TIP3 6419 71.316 67.353 28.412 1.00 0.00 WT1 O ATOM 19040 H1 TIP3 6419 70.884 66.566 28.082 1.00 0.00 WT1 H ATOM 19041 H2 TIP3 6419 70.758 68.074 28.119 1.00 0.00 WT1 H ATOM 19042 OH2 TIP3 6420 43.294 59.794 66.672 1.00 0.00 WT1 O ATOM 19043 H1 TIP3 6420 43.317 60.094 67.581 1.00 0.00 WT1 H ATOM 19044 H2 TIP3 6420 42.392 59.946 66.392 1.00 0.00 WT1 H ATOM 19045 OH2 TIP3 6421 22.857 11.815 -10.705 1.00 0.00 WT1 O ATOM 19046 H1 TIP3 6421 22.077 11.981 -11.235 1.00 0.00 WT1 H ATOM 19047 H2 TIP3 6421 23.086 12.670 -10.341 1.00 0.00 WT1 H ATOM 19048 OH2 TIP3 6422 81.640 39.430 8.498 1.00 0.00 WT1 O ATOM 19049 H1 TIP3 6422 81.206 39.781 7.721 1.00 0.00 WT1 H ATOM 19050 H2 TIP3 6422 81.003 38.825 8.877 1.00 0.00 WT1 H ATOM 19051 OH2 TIP3 6424 33.651 29.772 26.145 1.00 0.00 WT1 O ATOM 19052 H1 TIP3 6424 34.002 30.641 25.950 1.00 0.00 WT1 H ATOM 19053 H2 TIP3 6424 34.417 29.198 26.140 1.00 0.00 WT1 H ATOM 19054 OH2 TIP3 6425 87.032 49.125 39.089 1.00 0.00 WT1 O ATOM 19055 H1 TIP3 6425 87.294 49.988 39.410 1.00 0.00 WT1 H ATOM 19056 H2 TIP3 6425 86.622 49.299 38.242 1.00 0.00 WT1 H ATOM 19057 OH2 TIP3 6427 35.144 18.764 44.616 1.00 0.00 WT1 O ATOM 19058 H1 TIP3 6427 35.187 18.960 43.680 1.00 0.00 WT1 H ATOM 19059 H2 TIP3 6427 34.208 18.763 44.818 1.00 0.00 WT1 H ATOM 19060 OH2 TIP3 6428 64.010 67.613 -3.578 1.00 0.00 WT1 O ATOM 19061 H1 TIP3 6428 63.654 67.907 -2.740 1.00 0.00 WT1 H ATOM 19062 H2 TIP3 6428 64.697 66.990 -3.342 1.00 0.00 WT1 H ATOM 19063 OH2 TIP3 6429 60.567 48.570 -17.427 1.00 0.00 WT1 O ATOM 19064 H1 TIP3 6429 60.389 49.064 -18.228 1.00 0.00 WT1 H ATOM 19065 H2 TIP3 6429 60.952 49.212 -16.830 1.00 0.00 WT1 H ATOM 19066 OH2 TIP3 6430 40.554 29.566 -15.764 1.00 0.00 WT1 O ATOM 19067 H1 TIP3 6430 39.762 29.041 -15.880 1.00 0.00 WT1 H ATOM 19068 H2 TIP3 6430 41.273 28.942 -15.870 1.00 0.00 WT1 H ATOM 19069 OH2 TIP3 6431 31.624 49.681 -7.204 1.00 0.00 WT1 O ATOM 19070 H1 TIP3 6431 32.153 48.971 -7.568 1.00 0.00 WT1 H ATOM 19071 H2 TIP3 6431 31.888 49.729 -6.285 1.00 0.00 WT1 H ATOM 19072 OH2 TIP3 6432 55.775 61.291 49.650 1.00 0.00 WT1 O ATOM 19073 H1 TIP3 6432 56.227 60.883 50.389 1.00 0.00 WT1 H ATOM 19074 H2 TIP3 6432 56.449 61.377 48.975 1.00 0.00 WT1 H ATOM 19075 OH2 TIP3 6433 67.335 66.294 23.117 1.00 0.00 WT1 O ATOM 19076 H1 TIP3 6433 67.716 67.149 23.319 1.00 0.00 WT1 H ATOM 19077 H2 TIP3 6433 66.465 66.318 23.517 1.00 0.00 WT1 H ATOM 19078 OH2 TIP3 6434 66.652 9.206 34.815 1.00 0.00 WT1 O ATOM 19079 H1 TIP3 6434 66.332 10.101 34.933 1.00 0.00 WT1 H ATOM 19080 H2 TIP3 6434 67.596 9.269 34.959 1.00 0.00 WT1 H ATOM 19081 OH2 TIP3 6435 66.176 19.282 30.344 1.00 0.00 WT1 O ATOM 19082 H1 TIP3 6435 65.870 18.661 29.683 1.00 0.00 WT1 H ATOM 19083 H2 TIP3 6435 66.186 20.126 29.893 1.00 0.00 WT1 H ATOM 19084 OH2 TIP3 6436 33.292 41.012 -7.944 1.00 0.00 WT1 O ATOM 19085 H1 TIP3 6436 33.123 41.874 -7.563 1.00 0.00 WT1 H ATOM 19086 H2 TIP3 6436 32.940 40.394 -7.304 1.00 0.00 WT1 H ATOM 19087 OH2 TIP3 6437 77.050 55.452 37.426 1.00 0.00 WT1 O ATOM 19088 H1 TIP3 6437 77.622 55.776 36.731 1.00 0.00 WT1 H ATOM 19089 H2 TIP3 6437 76.326 55.030 36.963 1.00 0.00 WT1 H ATOM 19090 OH2 TIP3 6438 32.735 15.758 -9.139 1.00 0.00 WT1 O ATOM 19091 H1 TIP3 6438 32.161 16.403 -8.725 1.00 0.00 WT1 H ATOM 19092 H2 TIP3 6438 33.264 16.267 -9.753 1.00 0.00 WT1 H ATOM 19093 OH2 TIP3 6439 84.171 91.130 55.471 1.00 0.00 WT1 O ATOM 19094 H1 TIP3 6439 83.317 90.723 55.327 1.00 0.00 WT1 H ATOM 19095 H2 TIP3 6439 84.609 90.554 56.098 1.00 0.00 WT1 H ATOM 19096 OH2 TIP3 6440 59.770 31.991 3.531 1.00 0.00 WT1 O ATOM 19097 H1 TIP3 6440 59.502 32.140 4.438 1.00 0.00 WT1 H ATOM 19098 H2 TIP3 6440 59.130 32.476 3.009 1.00 0.00 WT1 H ATOM 19099 OH2 TIP3 6441 73.012 37.392 22.709 1.00 0.00 WT1 O ATOM 19100 H1 TIP3 6441 73.763 37.610 22.157 1.00 0.00 WT1 H ATOM 19101 H2 TIP3 6441 72.255 37.482 22.130 1.00 0.00 WT1 H ATOM 19102 OH2 TIP3 6442 38.519 47.086 30.418 1.00 0.00 WT1 O ATOM 19103 H1 TIP3 6442 39.152 46.903 29.724 1.00 0.00 WT1 H ATOM 19104 H2 TIP3 6442 38.877 47.846 30.876 1.00 0.00 WT1 H ATOM 19105 OH2 TIP3 6443 46.726 43.950 27.330 1.00 0.00 WT1 O ATOM 19106 H1 TIP3 6443 47.594 43.835 26.945 1.00 0.00 WT1 H ATOM 19107 H2 TIP3 6443 46.268 44.531 26.723 1.00 0.00 WT1 H ATOM 19108 OH2 TIP3 6444 54.294 56.641 -7.010 1.00 0.00 WT1 O ATOM 19109 H1 TIP3 6444 53.827 55.901 -7.398 1.00 0.00 WT1 H ATOM 19110 H2 TIP3 6444 53.733 56.927 -6.289 1.00 0.00 WT1 H ATOM 19111 OH2 TIP3 6446 69.744 46.318 50.430 1.00 0.00 WT1 O ATOM 19112 H1 TIP3 6446 70.111 47.008 50.982 1.00 0.00 WT1 H ATOM 19113 H2 TIP3 6446 69.158 46.778 49.829 1.00 0.00 WT1 H ATOM 19114 OH2 TIP3 6448 46.532 75.256 64.985 1.00 0.00 WT1 O ATOM 19115 H1 TIP3 6448 46.294 74.521 64.421 1.00 0.00 WT1 H ATOM 19116 H2 TIP3 6448 46.426 76.029 64.430 1.00 0.00 WT1 H ATOM 19117 OH2 TIP3 6449 50.621 27.411 -2.189 1.00 0.00 WT1 O ATOM 19118 H1 TIP3 6449 50.751 27.113 -1.289 1.00 0.00 WT1 H ATOM 19119 H2 TIP3 6449 50.047 28.173 -2.109 1.00 0.00 WT1 H ATOM 19120 OH2 TIP3 6450 44.204 56.768 6.008 1.00 0.00 WT1 O ATOM 19121 H1 TIP3 6450 45.112 57.070 6.001 1.00 0.00 WT1 H ATOM 19122 H2 TIP3 6450 44.219 55.977 6.547 1.00 0.00 WT1 H ATOM 19123 OH2 TIP3 6451 26.408 22.517 46.698 1.00 0.00 WT1 O ATOM 19124 H1 TIP3 6451 26.903 23.308 46.485 1.00 0.00 WT1 H ATOM 19125 H2 TIP3 6451 26.543 22.395 47.637 1.00 0.00 WT1 H ATOM 19126 OH2 TIP3 6452 50.931 50.189 43.797 1.00 0.00 WT1 O ATOM 19127 H1 TIP3 6452 51.476 50.060 44.573 1.00 0.00 WT1 H ATOM 19128 H2 TIP3 6452 51.556 50.299 43.080 1.00 0.00 WT1 H ATOM 19129 OH2 TIP3 6453 43.534 57.419 -1.861 1.00 0.00 WT1 O ATOM 19130 H1 TIP3 6453 43.755 57.403 -0.929 1.00 0.00 WT1 H ATOM 19131 H2 TIP3 6453 43.894 56.602 -2.206 1.00 0.00 WT1 H ATOM 19132 OH2 TIP3 6454 29.957 89.600 28.472 1.00 0.00 WT1 O ATOM 19133 H1 TIP3 6454 29.215 90.186 28.621 1.00 0.00 WT1 H ATOM 19134 H2 TIP3 6454 30.571 90.118 27.951 1.00 0.00 WT1 H ATOM 19135 OH2 TIP3 6455 42.521 97.097 64.779 1.00 0.00 WT1 O ATOM 19136 H1 TIP3 6455 43.331 96.964 64.286 1.00 0.00 WT1 H ATOM 19137 H2 TIP3 6455 42.100 96.238 64.784 1.00 0.00 WT1 H ATOM 19138 OH2 TIP3 6456 28.772 27.120 33.557 1.00 0.00 WT1 O ATOM 19139 H1 TIP3 6456 28.235 27.629 34.165 1.00 0.00 WT1 H ATOM 19140 H2 TIP3 6456 28.372 26.250 33.555 1.00 0.00 WT1 H ATOM 19141 OH2 TIP3 6457 79.186 41.471 35.671 1.00 0.00 WT1 O ATOM 19142 H1 TIP3 6457 79.206 41.819 34.779 1.00 0.00 WT1 H ATOM 19143 H2 TIP3 6457 78.333 41.044 35.743 1.00 0.00 WT1 H ATOM 19144 OH2 TIP3 6461 73.962 78.634 50.562 1.00 0.00 WT1 O ATOM 19145 H1 TIP3 6461 73.540 78.998 49.783 1.00 0.00 WT1 H ATOM 19146 H2 TIP3 6461 74.847 78.997 50.547 1.00 0.00 WT1 H ATOM 19147 OH2 TIP3 6462 73.305 62.454 52.561 1.00 0.00 WT1 O ATOM 19148 H1 TIP3 6462 73.169 63.291 52.116 1.00 0.00 WT1 H ATOM 19149 H2 TIP3 6462 72.636 62.434 53.244 1.00 0.00 WT1 H ATOM 19150 OH2 TIP3 6464 27.834 14.008 5.298 1.00 0.00 WT1 O ATOM 19151 H1 TIP3 6464 28.057 14.937 5.356 1.00 0.00 WT1 H ATOM 19152 H2 TIP3 6464 28.193 13.624 6.098 1.00 0.00 WT1 H ATOM 19153 OH2 TIP3 6465 71.198 62.152 24.932 1.00 0.00 WT1 O ATOM 19154 H1 TIP3 6465 70.474 62.290 25.543 1.00 0.00 WT1 H ATOM 19155 H2 TIP3 6465 71.833 61.632 25.424 1.00 0.00 WT1 H ATOM 19156 OH2 TIP3 6467 39.911 50.294 -18.135 1.00 0.00 WT1 O ATOM 19157 H1 TIP3 6467 40.375 51.001 -18.582 1.00 0.00 WT1 H ATOM 19158 H2 TIP3 6467 39.296 50.741 -17.553 1.00 0.00 WT1 H ATOM 19159 OH2 TIP3 6468 77.173 -0.207 50.960 1.00 0.00 WT1 O ATOM 19160 H1 TIP3 6468 77.880 -0.207 51.605 1.00 0.00 WT1 H ATOM 19161 H2 TIP3 6468 77.060 0.715 50.728 1.00 0.00 WT1 H ATOM 19162 OH2 TIP3 6469 70.128 16.872 -3.231 1.00 0.00 WT1 O ATOM 19163 H1 TIP3 6469 69.558 17.556 -3.583 1.00 0.00 WT1 H ATOM 19164 H2 TIP3 6469 70.539 17.273 -2.465 1.00 0.00 WT1 H ATOM 19165 OH2 TIP3 6470 67.611 44.970 -8.431 1.00 0.00 WT1 O ATOM 19166 H1 TIP3 6470 67.292 44.160 -8.032 1.00 0.00 WT1 H ATOM 19167 H2 TIP3 6470 67.089 45.066 -9.228 1.00 0.00 WT1 H ATOM 19168 OH2 TIP3 6471 41.142 28.074 9.709 1.00 0.00 WT1 O ATOM 19169 H1 TIP3 6471 41.369 28.112 10.638 1.00 0.00 WT1 H ATOM 19170 H2 TIP3 6471 41.637 27.326 9.372 1.00 0.00 WT1 H ATOM 19171 OH2 TIP3 6472 85.463 70.294 2.131 1.00 0.00 WT1 O ATOM 19172 H1 TIP3 6472 86.399 70.256 1.936 1.00 0.00 WT1 H ATOM 19173 H2 TIP3 6472 85.071 70.681 1.348 1.00 0.00 WT1 H ATOM 19174 OH2 TIP3 6474 31.941 28.572 -9.423 1.00 0.00 WT1 O ATOM 19175 H1 TIP3 6474 32.632 27.949 -9.647 1.00 0.00 WT1 H ATOM 19176 H2 TIP3 6474 31.539 28.797 -10.262 1.00 0.00 WT1 H ATOM 19177 OH2 TIP3 6475 85.160 9.545 52.407 1.00 0.00 WT1 O ATOM 19178 H1 TIP3 6475 84.508 9.710 53.088 1.00 0.00 WT1 H ATOM 19179 H2 TIP3 6475 85.284 10.395 51.983 1.00 0.00 WT1 H ATOM 19180 OH2 TIP3 6476 56.276 57.376 52.104 1.00 0.00 WT1 O ATOM 19181 H1 TIP3 6476 56.360 56.998 51.229 1.00 0.00 WT1 H ATOM 19182 H2 TIP3 6476 55.333 57.405 52.264 1.00 0.00 WT1 H ATOM 19183 OH2 TIP3 6478 90.114 54.975 28.947 1.00 0.00 WT1 O ATOM 19184 H1 TIP3 6478 90.005 55.486 29.749 1.00 0.00 WT1 H ATOM 19185 H2 TIP3 6478 91.031 55.102 28.704 1.00 0.00 WT1 H ATOM 19186 OH2 TIP3 6479 28.263 35.315 66.703 1.00 0.00 WT1 O ATOM 19187 H1 TIP3 6479 29.187 35.292 66.457 1.00 0.00 WT1 H ATOM 19188 H2 TIP3 6479 27.954 36.168 66.397 1.00 0.00 WT1 H ATOM 19189 OH2 TIP3 6481 25.557 23.992 40.556 1.00 0.00 WT1 O ATOM 19190 H1 TIP3 6481 25.373 24.425 41.389 1.00 0.00 WT1 H ATOM 19191 H2 TIP3 6481 24.746 23.533 40.339 1.00 0.00 WT1 H ATOM 19192 OH2 TIP3 6482 65.294 87.416 21.636 1.00 0.00 WT1 O ATOM 19193 H1 TIP3 6482 65.154 87.856 22.475 1.00 0.00 WT1 H ATOM 19194 H2 TIP3 6482 64.419 87.144 21.358 1.00 0.00 WT1 H ATOM 19195 OH2 TIP3 6483 20.328 39.303 -2.779 1.00 0.00 WT1 O ATOM 19196 H1 TIP3 6483 20.930 40.029 -2.615 1.00 0.00 WT1 H ATOM 19197 H2 TIP3 6483 20.896 38.566 -3.005 1.00 0.00 WT1 H ATOM 19198 OH2 TIP3 6486 30.296 20.774 44.792 1.00 0.00 WT1 O ATOM 19199 H1 TIP3 6486 31.123 21.144 44.483 1.00 0.00 WT1 H ATOM 19200 H2 TIP3 6486 29.650 21.462 44.632 1.00 0.00 WT1 H ATOM 19201 OH2 TIP3 6488 21.483 46.544 55.777 1.00 0.00 WT1 O ATOM 19202 H1 TIP3 6488 22.018 47.334 55.699 1.00 0.00 WT1 H ATOM 19203 H2 TIP3 6488 20.775 46.791 56.373 1.00 0.00 WT1 H ATOM 19204 OH2 TIP3 6489 82.756 27.541 -18.757 1.00 0.00 WT1 O ATOM 19205 H1 TIP3 6489 83.350 27.528 -19.507 1.00 0.00 WT1 H ATOM 19206 H2 TIP3 6489 82.814 28.435 -18.420 1.00 0.00 WT1 H ATOM 19207 OH2 TIP3 6490 48.120 62.784 11.993 1.00 0.00 WT1 O ATOM 19208 H1 TIP3 6490 48.948 63.147 12.307 1.00 0.00 WT1 H ATOM 19209 H2 TIP3 6490 47.685 63.518 11.559 1.00 0.00 WT1 H ATOM 19210 OH2 TIP3 6491 44.875 31.791 2.096 1.00 0.00 WT1 O ATOM 19211 H1 TIP3 6491 44.832 31.643 3.040 1.00 0.00 WT1 H ATOM 19212 H2 TIP3 6491 44.646 32.714 1.987 1.00 0.00 WT1 H ATOM 19213 OH2 TIP3 6492 53.708 84.547 37.800 1.00 0.00 WT1 O ATOM 19214 H1 TIP3 6492 54.579 84.157 37.724 1.00 0.00 WT1 H ATOM 19215 H2 TIP3 6492 53.416 84.663 36.896 1.00 0.00 WT1 H ATOM 19216 OH2 TIP3 6493 88.826 10.736 59.842 1.00 0.00 WT1 O ATOM 19217 H1 TIP3 6493 89.508 11.389 59.684 1.00 0.00 WT1 H ATOM 19218 H2 TIP3 6493 88.516 10.497 58.968 1.00 0.00 WT1 H ATOM 19219 OH2 TIP3 6494 57.420 41.004 62.387 1.00 0.00 WT1 O ATOM 19220 H1 TIP3 6494 57.658 40.522 63.179 1.00 0.00 WT1 H ATOM 19221 H2 TIP3 6494 57.885 40.553 61.682 1.00 0.00 WT1 H ATOM 19222 OH2 TIP3 6495 42.226 33.930 5.041 1.00 0.00 WT1 O ATOM 19223 H1 TIP3 6495 41.328 33.686 5.266 1.00 0.00 WT1 H ATOM 19224 H2 TIP3 6495 42.741 33.684 5.810 1.00 0.00 WT1 H ATOM 19225 OH2 TIP3 6496 64.150 93.099 25.661 1.00 0.00 WT1 O ATOM 19226 H1 TIP3 6496 64.379 92.760 24.796 1.00 0.00 WT1 H ATOM 19227 H2 TIP3 6496 64.889 92.856 26.218 1.00 0.00 WT1 H ATOM 19228 OH2 TIP3 6497 57.551 64.968 25.210 1.00 0.00 WT1 O ATOM 19229 H1 TIP3 6497 57.501 65.204 24.284 1.00 0.00 WT1 H ATOM 19230 H2 TIP3 6497 56.672 64.656 25.426 1.00 0.00 WT1 H ATOM 19231 OH2 TIP3 6499 67.608 61.112 -18.811 1.00 0.00 WT1 O ATOM 19232 H1 TIP3 6499 66.674 60.905 -18.762 1.00 0.00 WT1 H ATOM 19233 H2 TIP3 6499 67.797 61.148 -19.749 1.00 0.00 WT1 H ATOM 19234 OH2 TIP3 6500 76.003 42.307 21.011 1.00 0.00 WT1 O ATOM 19235 H1 TIP3 6500 75.983 41.613 21.670 1.00 0.00 WT1 H ATOM 19236 H2 TIP3 6500 75.204 42.809 21.166 1.00 0.00 WT1 H ATOM 19237 OH2 TIP3 6501 62.460 57.338 19.760 1.00 0.00 WT1 O ATOM 19238 H1 TIP3 6501 61.681 57.215 19.217 1.00 0.00 WT1 H ATOM 19239 H2 TIP3 6501 62.122 57.401 20.653 1.00 0.00 WT1 H ATOM 19240 OH2 TIP3 6503 66.516 85.263 7.975 1.00 0.00 WT1 O ATOM 19241 H1 TIP3 6503 66.795 84.374 8.189 1.00 0.00 WT1 H ATOM 19242 H2 TIP3 6503 65.901 85.153 7.250 1.00 0.00 WT1 H ATOM 19243 OH2 TIP3 6506 66.946 77.763 16.040 1.00 0.00 WT1 O ATOM 19244 H1 TIP3 6506 66.845 78.714 16.096 1.00 0.00 WT1 H ATOM 19245 H2 TIP3 6506 66.456 77.516 15.256 1.00 0.00 WT1 H ATOM 19246 OH2 TIP3 6508 70.582 41.054 33.574 1.00 0.00 WT1 O ATOM 19247 H1 TIP3 6508 70.944 41.070 32.688 1.00 0.00 WT1 H ATOM 19248 H2 TIP3 6508 69.636 40.988 33.445 1.00 0.00 WT1 H ATOM 19249 OH2 TIP3 6509 68.679 60.055 27.975 1.00 0.00 WT1 O ATOM 19250 H1 TIP3 6509 69.216 59.320 27.680 1.00 0.00 WT1 H ATOM 19251 H2 TIP3 6509 67.877 59.650 28.305 1.00 0.00 WT1 H ATOM 19252 OH2 TIP3 6510 51.323 56.942 55.108 1.00 0.00 WT1 O ATOM 19253 H1 TIP3 6510 51.491 56.314 54.406 1.00 0.00 WT1 H ATOM 19254 H2 TIP3 6510 51.289 57.791 54.668 1.00 0.00 WT1 H ATOM 19255 OH2 TIP3 6511 70.516 94.252 14.028 1.00 0.00 WT1 O ATOM 19256 H1 TIP3 6511 71.291 93.701 14.133 1.00 0.00 WT1 H ATOM 19257 H2 TIP3 6511 70.413 94.343 13.080 1.00 0.00 WT1 H ATOM 19258 OH2 TIP3 6512 68.323 17.290 -15.024 1.00 0.00 WT1 O ATOM 19259 H1 TIP3 6512 68.719 17.067 -15.866 1.00 0.00 WT1 H ATOM 19260 H2 TIP3 6512 67.813 18.081 -15.200 1.00 0.00 WT1 H ATOM 19261 OH2 TIP3 6513 88.819 54.944 -6.025 1.00 0.00 WT1 O ATOM 19262 H1 TIP3 6513 87.924 55.267 -5.921 1.00 0.00 WT1 H ATOM 19263 H2 TIP3 6513 89.189 54.975 -5.142 1.00 0.00 WT1 H ATOM 19264 OH2 TIP3 6514 35.031 64.183 49.503 1.00 0.00 WT1 O ATOM 19265 H1 TIP3 6514 35.720 64.514 48.926 1.00 0.00 WT1 H ATOM 19266 H2 TIP3 6514 34.660 63.438 49.030 1.00 0.00 WT1 H ATOM 19267 OH2 TIP3 6515 86.627 65.874 21.651 1.00 0.00 WT1 O ATOM 19268 H1 TIP3 6515 85.971 65.893 22.347 1.00 0.00 WT1 H ATOM 19269 H2 TIP3 6515 86.155 65.547 20.885 1.00 0.00 WT1 H ATOM 19270 OH2 TIP3 6516 58.003 67.248 53.247 1.00 0.00 WT1 O ATOM 19271 H1 TIP3 6516 57.757 66.582 52.606 1.00 0.00 WT1 H ATOM 19272 H2 TIP3 6516 57.183 67.473 53.687 1.00 0.00 WT1 H ATOM 19273 OH2 TIP3 6518 47.486 15.048 34.376 1.00 0.00 WT1 O ATOM 19274 H1 TIP3 6518 47.237 14.243 33.923 1.00 0.00 WT1 H ATOM 19275 H2 TIP3 6518 46.718 15.276 34.900 1.00 0.00 WT1 H ATOM 19276 OH2 TIP3 6519 40.655 37.875 8.408 1.00 0.00 WT1 O ATOM 19277 H1 TIP3 6519 41.591 38.025 8.547 1.00 0.00 WT1 H ATOM 19278 H2 TIP3 6519 40.228 38.614 8.842 1.00 0.00 WT1 H ATOM 19279 OH2 TIP3 6521 84.428 34.407 15.149 1.00 0.00 WT1 O ATOM 19280 H1 TIP3 6521 85.337 34.506 15.432 1.00 0.00 WT1 H ATOM 19281 H2 TIP3 6521 84.252 33.469 15.229 1.00 0.00 WT1 H ATOM 19282 OH2 TIP3 6522 67.803 54.148 51.988 1.00 0.00 WT1 O ATOM 19283 H1 TIP3 6522 67.102 54.583 51.504 1.00 0.00 WT1 H ATOM 19284 H2 TIP3 6522 68.411 53.847 51.313 1.00 0.00 WT1 H ATOM 19285 OH2 TIP3 6524 78.747 42.673 -1.819 1.00 0.00 WT1 O ATOM 19286 H1 TIP3 6524 78.070 43.324 -2.003 1.00 0.00 WT1 H ATOM 19287 H2 TIP3 6524 79.534 43.189 -1.642 1.00 0.00 WT1 H ATOM 19288 OH2 TIP3 6527 43.977 58.544 62.005 1.00 0.00 WT1 O ATOM 19289 H1 TIP3 6527 44.466 58.846 61.240 1.00 0.00 WT1 H ATOM 19290 H2 TIP3 6527 44.590 58.637 62.735 1.00 0.00 WT1 H ATOM 19291 OH2 TIP3 6530 47.670 31.276 54.779 1.00 0.00 WT1 O ATOM 19292 H1 TIP3 6530 48.416 31.454 54.206 1.00 0.00 WT1 H ATOM 19293 H2 TIP3 6530 48.006 31.424 55.663 1.00 0.00 WT1 H ATOM 19294 OH2 TIP3 6531 29.760 89.270 23.293 1.00 0.00 WT1 O ATOM 19295 H1 TIP3 6531 28.973 89.802 23.415 1.00 0.00 WT1 H ATOM 19296 H2 TIP3 6531 30.103 89.143 24.177 1.00 0.00 WT1 H ATOM 19297 OH2 TIP3 6532 44.069 55.223 -8.581 1.00 0.00 WT1 O ATOM 19298 H1 TIP3 6532 44.278 56.097 -8.250 1.00 0.00 WT1 H ATOM 19299 H2 TIP3 6532 43.817 55.366 -9.493 1.00 0.00 WT1 H ATOM 19300 OH2 TIP3 6533 37.487 76.746 -0.431 1.00 0.00 WT1 O ATOM 19301 H1 TIP3 6533 38.239 76.843 -1.015 1.00 0.00 WT1 H ATOM 19302 H2 TIP3 6533 37.563 75.856 -0.087 1.00 0.00 WT1 H ATOM 19303 OH2 TIP3 6534 47.726 60.186 12.488 1.00 0.00 WT1 O ATOM 19304 H1 TIP3 6534 47.998 61.095 12.358 1.00 0.00 WT1 H ATOM 19305 H2 TIP3 6534 48.155 59.921 13.301 1.00 0.00 WT1 H ATOM 19306 OH2 TIP3 6535 26.662 46.890 23.629 1.00 0.00 WT1 O ATOM 19307 H1 TIP3 6535 27.442 46.488 23.248 1.00 0.00 WT1 H ATOM 19308 H2 TIP3 6535 26.451 46.338 24.382 1.00 0.00 WT1 H ATOM 19309 OH2 TIP3 6536 76.628 13.144 -13.820 1.00 0.00 WT1 O ATOM 19310 H1 TIP3 6536 77.222 12.514 -14.229 1.00 0.00 WT1 H ATOM 19311 H2 TIP3 6536 75.903 13.227 -14.439 1.00 0.00 WT1 H ATOM 19312 OH2 TIP3 6537 45.733 72.573 51.225 1.00 0.00 WT1 O ATOM 19313 H1 TIP3 6537 45.762 71.621 51.313 1.00 0.00 WT1 H ATOM 19314 H2 TIP3 6537 44.824 72.766 50.996 1.00 0.00 WT1 H ATOM 19315 OH2 TIP3 6540 25.697 40.148 18.160 1.00 0.00 WT1 O ATOM 19316 H1 TIP3 6540 25.297 41.017 18.195 1.00 0.00 WT1 H ATOM 19317 H2 TIP3 6540 26.336 40.206 17.450 1.00 0.00 WT1 H ATOM 19318 OH2 TIP3 6541 56.711 48.192 24.219 1.00 0.00 WT1 O ATOM 19319 H1 TIP3 6541 55.839 47.799 24.191 1.00 0.00 WT1 H ATOM 19320 H2 TIP3 6541 57.107 47.958 23.380 1.00 0.00 WT1 H ATOM 19321 OH2 TIP3 6543 80.966 39.194 48.556 1.00 0.00 WT1 O ATOM 19322 H1 TIP3 6543 81.898 39.040 48.405 1.00 0.00 WT1 H ATOM 19323 H2 TIP3 6543 80.657 39.609 47.751 1.00 0.00 WT1 H ATOM 19324 OH2 TIP3 6544 65.912 64.811 11.116 1.00 0.00 WT1 O ATOM 19325 H1 TIP3 6544 66.051 64.217 11.853 1.00 0.00 WT1 H ATOM 19326 H2 TIP3 6544 65.125 64.477 10.684 1.00 0.00 WT1 H ATOM 19327 OH2 TIP3 6546 79.699 74.778 22.938 1.00 0.00 WT1 O ATOM 19328 H1 TIP3 6546 79.652 73.867 22.649 1.00 0.00 WT1 H ATOM 19329 H2 TIP3 6546 79.995 74.727 23.847 1.00 0.00 WT1 H ATOM 19330 OH2 TIP3 6547 36.540 39.636 42.887 1.00 0.00 WT1 O ATOM 19331 H1 TIP3 6547 36.753 39.379 41.990 1.00 0.00 WT1 H ATOM 19332 H2 TIP3 6547 35.881 40.323 42.790 1.00 0.00 WT1 H ATOM 19333 OH2 TIP3 6548 65.380 87.171 17.422 1.00 0.00 WT1 O ATOM 19334 H1 TIP3 6548 66.092 86.767 16.927 1.00 0.00 WT1 H ATOM 19335 H2 TIP3 6548 64.754 86.462 17.565 1.00 0.00 WT1 H ATOM 19336 OH2 TIP3 6549 55.622 42.539 -17.437 1.00 0.00 WT1 O ATOM 19337 H1 TIP3 6549 56.504 42.292 -17.714 1.00 0.00 WT1 H ATOM 19338 H2 TIP3 6549 55.549 43.466 -17.665 1.00 0.00 WT1 H ATOM 19339 OH2 TIP3 6551 63.317 26.341 27.587 1.00 0.00 WT1 O ATOM 19340 H1 TIP3 6551 62.664 26.131 26.918 1.00 0.00 WT1 H ATOM 19341 H2 TIP3 6551 62.976 27.126 28.016 1.00 0.00 WT1 H ATOM 19342 OH2 TIP3 6552 82.905 45.195 3.795 1.00 0.00 WT1 O ATOM 19343 H1 TIP3 6552 83.833 45.427 3.814 1.00 0.00 WT1 H ATOM 19344 H2 TIP3 6552 82.787 44.612 4.545 1.00 0.00 WT1 H ATOM 19345 OH2 TIP3 6553 41.145 55.955 29.537 1.00 0.00 WT1 O ATOM 19346 H1 TIP3 6553 41.580 56.484 28.869 1.00 0.00 WT1 H ATOM 19347 H2 TIP3 6553 40.828 56.591 30.178 1.00 0.00 WT1 H ATOM 19348 OH2 TIP3 6555 52.585 4.645 56.015 1.00 0.00 WT1 O ATOM 19349 H1 TIP3 6555 52.338 4.074 55.287 1.00 0.00 WT1 H ATOM 19350 H2 TIP3 6555 52.059 5.434 55.890 1.00 0.00 WT1 H ATOM 19351 OH2 TIP3 6556 56.257 18.509 52.303 1.00 0.00 WT1 O ATOM 19352 H1 TIP3 6556 57.214 18.480 52.311 1.00 0.00 WT1 H ATOM 19353 H2 TIP3 6556 56.024 18.961 53.114 1.00 0.00 WT1 H ATOM 19354 OH2 TIP3 6558 33.476 64.613 -14.597 1.00 0.00 WT1 O ATOM 19355 H1 TIP3 6558 34.008 63.834 -14.757 1.00 0.00 WT1 H ATOM 19356 H2 TIP3 6558 34.063 65.213 -14.136 1.00 0.00 WT1 H ATOM 19357 OH2 TIP3 6559 27.742 53.193 30.143 1.00 0.00 WT1 O ATOM 19358 H1 TIP3 6559 27.729 53.765 29.375 1.00 0.00 WT1 H ATOM 19359 H2 TIP3 6559 28.553 53.419 30.597 1.00 0.00 WT1 H ATOM 19360 OH2 TIP3 6560 26.660 84.886 14.522 1.00 0.00 WT1 O ATOM 19361 H1 TIP3 6560 27.453 84.879 13.986 1.00 0.00 WT1 H ATOM 19362 H2 TIP3 6560 26.637 84.020 14.928 1.00 0.00 WT1 H ATOM 19363 OH2 TIP3 6561 22.449 58.943 50.880 1.00 0.00 WT1 O ATOM 19364 H1 TIP3 6561 23.218 59.137 51.416 1.00 0.00 WT1 H ATOM 19365 H2 TIP3 6561 21.900 59.724 50.957 1.00 0.00 WT1 H ATOM 19366 OH2 TIP3 6564 71.106 84.188 19.659 1.00 0.00 WT1 O ATOM 19367 H1 TIP3 6564 70.194 84.472 19.589 1.00 0.00 WT1 H ATOM 19368 H2 TIP3 6564 71.051 83.277 19.946 1.00 0.00 WT1 H ATOM 19369 OH2 TIP3 6565 51.964 52.128 16.810 1.00 0.00 WT1 O ATOM 19370 H1 TIP3 6565 51.946 51.192 17.009 1.00 0.00 WT1 H ATOM 19371 H2 TIP3 6565 51.566 52.197 15.942 1.00 0.00 WT1 H ATOM 19372 OH2 TIP3 6566 52.993 71.649 10.094 1.00 0.00 WT1 O ATOM 19373 H1 TIP3 6566 53.165 72.130 10.904 1.00 0.00 WT1 H ATOM 19374 H2 TIP3 6566 53.449 70.816 10.209 1.00 0.00 WT1 H ATOM 19375 OH2 TIP3 6569 73.318 68.728 37.797 1.00 0.00 WT1 O ATOM 19376 H1 TIP3 6569 72.459 68.329 37.657 1.00 0.00 WT1 H ATOM 19377 H2 TIP3 6569 73.461 68.665 38.741 1.00 0.00 WT1 H ATOM 19378 OH2 TIP3 6570 53.881 38.413 65.607 1.00 0.00 WT1 O ATOM 19379 H1 TIP3 6570 54.394 38.323 64.804 1.00 0.00 WT1 H ATOM 19380 H2 TIP3 6570 52.982 38.543 65.304 1.00 0.00 WT1 H ATOM 19381 OH2 TIP3 6571 84.309 23.165 62.847 1.00 0.00 WT1 O ATOM 19382 H1 TIP3 6571 84.413 22.231 62.667 1.00 0.00 WT1 H ATOM 19383 H2 TIP3 6571 85.063 23.576 62.424 1.00 0.00 WT1 H ATOM 19384 OH2 TIP3 6573 89.881 46.981 4.706 1.00 0.00 WT1 O ATOM 19385 H1 TIP3 6573 90.668 47.515 4.815 1.00 0.00 WT1 H ATOM 19386 H2 TIP3 6573 89.316 47.234 5.436 1.00 0.00 WT1 H ATOM 19387 OH2 TIP3 6574 87.558 78.413 -2.049 1.00 0.00 WT1 O ATOM 19388 H1 TIP3 6574 87.719 78.253 -2.979 1.00 0.00 WT1 H ATOM 19389 H2 TIP3 6574 87.018 77.674 -1.769 1.00 0.00 WT1 H ATOM 19390 OH2 TIP3 6575 39.261 78.054 53.368 1.00 0.00 WT1 O ATOM 19391 H1 TIP3 6575 39.669 77.778 52.547 1.00 0.00 WT1 H ATOM 19392 H2 TIP3 6575 38.706 78.795 53.122 1.00 0.00 WT1 H ATOM 19393 OH2 TIP3 6576 31.803 46.066 2.923 1.00 0.00 WT1 O ATOM 19394 H1 TIP3 6576 31.557 46.867 3.386 1.00 0.00 WT1 H ATOM 19395 H2 TIP3 6576 31.025 45.511 2.975 1.00 0.00 WT1 H ATOM 19396 OH2 TIP3 6577 88.059 73.179 28.606 1.00 0.00 WT1 O ATOM 19397 H1 TIP3 6577 88.934 73.461 28.875 1.00 0.00 WT1 H ATOM 19398 H2 TIP3 6577 87.464 73.753 29.088 1.00 0.00 WT1 H ATOM 19399 OH2 TIP3 6578 22.896 57.244 8.374 1.00 0.00 WT1 O ATOM 19400 H1 TIP3 6578 23.161 56.753 9.152 1.00 0.00 WT1 H ATOM 19401 H2 TIP3 6578 23.552 57.937 8.293 1.00 0.00 WT1 H ATOM 19402 OH2 TIP3 6579 56.850 0.355 57.383 1.00 0.00 WT1 O ATOM 19403 H1 TIP3 6579 57.226 -0.518 57.495 1.00 0.00 WT1 H ATOM 19404 H2 TIP3 6579 57.196 0.659 56.544 1.00 0.00 WT1 H ATOM 19405 OH2 TIP3 6580 29.706 51.888 61.041 1.00 0.00 WT1 O ATOM 19406 H1 TIP3 6580 29.158 52.528 61.495 1.00 0.00 WT1 H ATOM 19407 H2 TIP3 6580 30.548 52.330 60.929 1.00 0.00 WT1 H ATOM 19408 OH2 TIP3 6581 31.603 41.188 26.583 1.00 0.00 WT1 O ATOM 19409 H1 TIP3 6581 31.780 40.249 26.633 1.00 0.00 WT1 H ATOM 19410 H2 TIP3 6581 31.867 41.436 25.697 1.00 0.00 WT1 H ATOM 19411 OH2 TIP3 6583 67.583 42.175 -15.637 1.00 0.00 WT1 O ATOM 19412 H1 TIP3 6583 66.838 42.584 -15.197 1.00 0.00 WT1 H ATOM 19413 H2 TIP3 6583 67.679 42.668 -16.453 1.00 0.00 WT1 H ATOM 19414 OH2 TIP3 6584 23.467 45.653 7.597 1.00 0.00 WT1 O ATOM 19415 H1 TIP3 6584 23.626 46.414 8.155 1.00 0.00 WT1 H ATOM 19416 H2 TIP3 6584 22.519 45.525 7.630 1.00 0.00 WT1 H ATOM 19417 OH2 TIP3 6585 50.595 77.854 16.518 1.00 0.00 WT1 O ATOM 19418 H1 TIP3 6585 49.979 77.606 17.208 1.00 0.00 WT1 H ATOM 19419 H2 TIP3 6585 51.224 78.430 16.953 1.00 0.00 WT1 H ATOM 19420 OH2 TIP3 6586 75.221 64.252 -8.491 1.00 0.00 WT1 O ATOM 19421 H1 TIP3 6586 75.082 64.501 -7.578 1.00 0.00 WT1 H ATOM 19422 H2 TIP3 6586 75.456 63.325 -8.454 1.00 0.00 WT1 H ATOM 19423 OH2 TIP3 6587 43.399 51.748 -10.522 1.00 0.00 WT1 O ATOM 19424 H1 TIP3 6587 42.858 52.534 -10.604 1.00 0.00 WT1 H ATOM 19425 H2 TIP3 6587 43.617 51.703 -9.591 1.00 0.00 WT1 H ATOM 19426 OH2 TIP3 6589 70.732 67.332 54.875 1.00 0.00 WT1 O ATOM 19427 H1 TIP3 6589 70.769 66.860 54.043 1.00 0.00 WT1 H ATOM 19428 H2 TIP3 6589 70.749 68.257 54.628 1.00 0.00 WT1 H ATOM 19429 OH2 TIP3 6590 89.586 58.568 58.857 1.00 0.00 WT1 O ATOM 19430 H1 TIP3 6590 89.399 59.492 58.692 1.00 0.00 WT1 H ATOM 19431 H2 TIP3 6590 90.520 58.545 59.064 1.00 0.00 WT1 H ATOM 19432 OH2 TIP3 6592 57.953 92.567 37.399 1.00 0.00 WT1 O ATOM 19433 H1 TIP3 6592 58.312 93.145 36.727 1.00 0.00 WT1 H ATOM 19434 H2 TIP3 6592 58.636 91.911 37.542 1.00 0.00 WT1 H ATOM 19435 OH2 TIP3 6594 41.487 91.498 35.271 1.00 0.00 WT1 O ATOM 19436 H1 TIP3 6594 41.750 90.761 35.821 1.00 0.00 WT1 H ATOM 19437 H2 TIP3 6594 41.632 91.193 34.376 1.00 0.00 WT1 H ATOM 19438 OH2 TIP3 6595 71.490 0.428 20.586 1.00 0.00 WT1 O ATOM 19439 H1 TIP3 6595 71.451 1.000 19.820 1.00 0.00 WT1 H ATOM 19440 H2 TIP3 6595 71.922 0.956 21.258 1.00 0.00 WT1 H ATOM 19441 OH2 TIP3 6596 54.831 23.813 54.353 1.00 0.00 WT1 O ATOM 19442 H1 TIP3 6596 54.834 22.880 54.139 1.00 0.00 WT1 H ATOM 19443 H2 TIP3 6596 54.848 24.255 53.504 1.00 0.00 WT1 H ATOM 19444 OH2 TIP3 6597 68.508 4.885 -5.464 1.00 0.00 WT1 O ATOM 19445 H1 TIP3 6597 68.010 5.439 -4.862 1.00 0.00 WT1 H ATOM 19446 H2 TIP3 6597 68.204 5.143 -6.334 1.00 0.00 WT1 H ATOM 19447 OH2 TIP3 6598 45.365 66.376 60.343 1.00 0.00 WT1 O ATOM 19448 H1 TIP3 6598 45.583 65.854 59.571 1.00 0.00 WT1 H ATOM 19449 H2 TIP3 6598 45.797 67.217 60.193 1.00 0.00 WT1 H ATOM 19450 OH2 TIP3 6600 44.212 57.829 -8.186 1.00 0.00 WT1 O ATOM 19451 H1 TIP3 6600 44.272 58.490 -7.496 1.00 0.00 WT1 H ATOM 19452 H2 TIP3 6600 43.725 58.259 -8.888 1.00 0.00 WT1 H ATOM 19453 OH2 TIP3 6601 50.768 21.944 -17.841 1.00 0.00 WT1 O ATOM 19454 H1 TIP3 6601 51.516 21.375 -17.658 1.00 0.00 WT1 H ATOM 19455 H2 TIP3 6601 50.889 22.694 -17.260 1.00 0.00 WT1 H ATOM 19456 OH2 TIP3 6602 88.848 80.292 -0.701 1.00 0.00 WT1 O ATOM 19457 H1 TIP3 6602 88.173 79.803 -1.173 1.00 0.00 WT1 H ATOM 19458 H2 TIP3 6602 89.556 79.661 -0.574 1.00 0.00 WT1 H ATOM 19459 OH2 TIP3 6603 54.993 68.962 -0.582 1.00 0.00 WT1 O ATOM 19460 H1 TIP3 6603 55.269 69.678 -0.010 1.00 0.00 WT1 H ATOM 19461 H2 TIP3 6603 54.627 68.307 0.014 1.00 0.00 WT1 H ATOM 19462 OH2 TIP3 6604 50.360 2.429 14.593 1.00 0.00 WT1 O ATOM 19463 H1 TIP3 6604 50.724 3.299 14.753 1.00 0.00 WT1 H ATOM 19464 H2 TIP3 6604 50.880 1.845 15.144 1.00 0.00 WT1 H ATOM 19465 OH2 TIP3 6606 76.266 56.615 41.796 1.00 0.00 WT1 O ATOM 19466 H1 TIP3 6606 76.757 56.113 41.146 1.00 0.00 WT1 H ATOM 19467 H2 TIP3 6606 76.611 57.505 41.722 1.00 0.00 WT1 H ATOM 19468 OH2 TIP3 6607 55.148 64.011 23.131 1.00 0.00 WT1 O ATOM 19469 H1 TIP3 6607 55.395 63.987 22.207 1.00 0.00 WT1 H ATOM 19470 H2 TIP3 6607 55.078 63.090 23.384 1.00 0.00 WT1 H ATOM 19471 OH2 TIP3 6608 73.046 42.026 34.915 1.00 0.00 WT1 O ATOM 19472 H1 TIP3 6608 73.288 42.825 34.447 1.00 0.00 WT1 H ATOM 19473 H2 TIP3 6608 72.404 41.600 34.347 1.00 0.00 WT1 H ATOM 19474 OH2 TIP3 6609 58.716 58.027 27.558 1.00 0.00 WT1 O ATOM 19475 H1 TIP3 6609 57.908 57.678 27.182 1.00 0.00 WT1 H ATOM 19476 H2 TIP3 6609 58.919 57.435 28.282 1.00 0.00 WT1 H ATOM 19477 OH2 TIP3 6610 37.540 49.150 23.235 1.00 0.00 WT1 O ATOM 19478 H1 TIP3 6610 38.431 49.475 23.364 1.00 0.00 WT1 H ATOM 19479 H2 TIP3 6610 37.235 48.929 24.115 1.00 0.00 WT1 H ATOM 19480 OH2 TIP3 6611 65.754 66.336 40.252 1.00 0.00 WT1 O ATOM 19481 H1 TIP3 6611 66.674 66.257 40.000 1.00 0.00 WT1 H ATOM 19482 H2 TIP3 6611 65.281 65.826 39.594 1.00 0.00 WT1 H ATOM 19483 OH2 TIP3 6613 73.215 3.856 30.792 1.00 0.00 WT1 O ATOM 19484 H1 TIP3 6613 73.030 4.452 30.067 1.00 0.00 WT1 H ATOM 19485 H2 TIP3 6613 73.484 4.428 31.511 1.00 0.00 WT1 H ATOM 19486 OH2 TIP3 6614 40.940 61.007 66.250 1.00 0.00 WT1 O ATOM 19487 H1 TIP3 6614 40.643 61.372 67.084 1.00 0.00 WT1 H ATOM 19488 H2 TIP3 6614 41.190 61.771 65.730 1.00 0.00 WT1 H ATOM 19489 OH2 TIP3 6615 37.827 26.005 61.096 1.00 0.00 WT1 O ATOM 19490 H1 TIP3 6615 37.119 25.473 61.461 1.00 0.00 WT1 H ATOM 19491 H2 TIP3 6615 38.545 25.388 60.960 1.00 0.00 WT1 H ATOM 19492 OH2 TIP3 6616 47.633 18.665 23.976 1.00 0.00 WT1 O ATOM 19493 H1 TIP3 6616 48.283 19.144 24.489 1.00 0.00 WT1 H ATOM 19494 H2 TIP3 6616 47.281 19.315 23.367 1.00 0.00 WT1 H ATOM 19495 OH2 TIP3 6618 74.683 71.606 -5.483 1.00 0.00 WT1 O ATOM 19496 H1 TIP3 6618 74.850 70.721 -5.160 1.00 0.00 WT1 H ATOM 19497 H2 TIP3 6618 75.168 72.175 -4.885 1.00 0.00 WT1 H ATOM 19498 OH2 TIP3 6620 78.730 87.447 57.504 1.00 0.00 WT1 O ATOM 19499 H1 TIP3 6620 79.070 88.338 57.431 1.00 0.00 WT1 H ATOM 19500 H2 TIP3 6620 78.800 87.090 56.618 1.00 0.00 WT1 H ATOM 19501 OH2 TIP3 6621 59.592 12.293 57.894 1.00 0.00 WT1 O ATOM 19502 H1 TIP3 6621 60.164 11.824 57.286 1.00 0.00 WT1 H ATOM 19503 H2 TIP3 6621 59.668 11.809 58.716 1.00 0.00 WT1 H ATOM 19504 OH2 TIP3 6622 90.489 94.758 -1.806 1.00 0.00 WT1 O ATOM 19505 H1 TIP3 6622 91.111 94.442 -1.151 1.00 0.00 WT1 H ATOM 19506 H2 TIP3 6622 89.831 95.236 -1.300 1.00 0.00 WT1 H ATOM 19507 OH2 TIP3 6623 87.993 27.090 15.202 1.00 0.00 WT1 O ATOM 19508 H1 TIP3 6623 88.198 26.501 14.476 1.00 0.00 WT1 H ATOM 19509 H2 TIP3 6623 87.067 26.931 15.386 1.00 0.00 WT1 H ATOM 19510 OH2 TIP3 6625 80.586 38.183 12.483 1.00 0.00 WT1 O ATOM 19511 H1 TIP3 6625 79.879 38.741 12.808 1.00 0.00 WT1 H ATOM 19512 H2 TIP3 6625 81.351 38.441 12.998 1.00 0.00 WT1 H ATOM 19513 OH2 TIP3 6626 48.232 51.390 18.651 1.00 0.00 WT1 O ATOM 19514 H1 TIP3 6626 49.060 51.345 19.128 1.00 0.00 WT1 H ATOM 19515 H2 TIP3 6626 48.322 52.156 18.085 1.00 0.00 WT1 H ATOM 19516 OH2 TIP3 6627 46.077 54.070 -18.724 1.00 0.00 WT1 O ATOM 19517 H1 TIP3 6627 45.223 53.664 -18.572 1.00 0.00 WT1 H ATOM 19518 H2 TIP3 6627 45.916 55.009 -18.626 1.00 0.00 WT1 H ATOM 19519 OH2 TIP3 6628 69.082 36.863 26.659 1.00 0.00 WT1 O ATOM 19520 H1 TIP3 6628 69.613 37.590 26.334 1.00 0.00 WT1 H ATOM 19521 H2 TIP3 6628 68.195 37.219 26.716 1.00 0.00 WT1 H ATOM 19522 OH2 TIP3 6629 71.103 65.468 23.641 1.00 0.00 WT1 O ATOM 19523 H1 TIP3 6629 70.573 65.439 22.844 1.00 0.00 WT1 H ATOM 19524 H2 TIP3 6629 70.479 65.315 24.350 1.00 0.00 WT1 H ATOM 19525 OH2 TIP3 6630 21.049 23.314 62.477 1.00 0.00 WT1 O ATOM 19526 H1 TIP3 6630 20.099 23.226 62.564 1.00 0.00 WT1 H ATOM 19527 H2 TIP3 6630 21.397 22.975 63.302 1.00 0.00 WT1 H ATOM 19528 OH2 TIP3 6631 51.219 60.302 12.982 1.00 0.00 WT1 O ATOM 19529 H1 TIP3 6631 50.668 60.561 13.720 1.00 0.00 WT1 H ATOM 19530 H2 TIP3 6631 51.742 59.574 13.317 1.00 0.00 WT1 H ATOM 19531 OH2 TIP3 6632 40.523 3.692 25.882 1.00 0.00 WT1 O ATOM 19532 H1 TIP3 6632 40.095 3.861 25.043 1.00 0.00 WT1 H ATOM 19533 H2 TIP3 6632 40.658 4.561 26.262 1.00 0.00 WT1 H ATOM 19534 OH2 TIP3 6633 81.638 69.274 -6.312 1.00 0.00 WT1 O ATOM 19535 H1 TIP3 6633 81.031 69.252 -7.051 1.00 0.00 WT1 H ATOM 19536 H2 TIP3 6633 81.078 69.394 -5.545 1.00 0.00 WT1 H ATOM 19537 OH2 TIP3 6634 89.633 79.611 58.818 1.00 0.00 WT1 O ATOM 19538 H1 TIP3 6634 89.502 79.067 58.041 1.00 0.00 WT1 H ATOM 19539 H2 TIP3 6634 88.862 79.443 59.360 1.00 0.00 WT1 H ATOM 19540 OH2 TIP3 6635 32.138 29.273 41.061 1.00 0.00 WT1 O ATOM 19541 H1 TIP3 6635 31.449 28.666 41.332 1.00 0.00 WT1 H ATOM 19542 H2 TIP3 6635 31.678 29.954 40.570 1.00 0.00 WT1 H ATOM 19543 OH2 TIP3 6636 80.712 28.600 -4.503 1.00 0.00 WT1 O ATOM 19544 H1 TIP3 6636 81.154 28.512 -5.348 1.00 0.00 WT1 H ATOM 19545 H2 TIP3 6636 80.341 27.734 -4.335 1.00 0.00 WT1 H ATOM 19546 OH2 TIP3 6637 44.192 16.835 -14.776 1.00 0.00 WT1 O ATOM 19547 H1 TIP3 6637 44.898 17.320 -15.203 1.00 0.00 WT1 H ATOM 19548 H2 TIP3 6637 44.603 16.024 -14.479 1.00 0.00 WT1 H ATOM 19549 OH2 TIP3 6638 51.946 30.563 54.466 1.00 0.00 WT1 O ATOM 19550 H1 TIP3 6638 51.331 30.364 53.760 1.00 0.00 WT1 H ATOM 19551 H2 TIP3 6638 52.211 31.469 54.306 1.00 0.00 WT1 H ATOM 19552 OH2 TIP3 6639 54.404 25.674 42.186 1.00 0.00 WT1 O ATOM 19553 H1 TIP3 6639 54.149 26.003 43.048 1.00 0.00 WT1 H ATOM 19554 H2 TIP3 6639 53.582 25.392 41.785 1.00 0.00 WT1 H ATOM 19555 OH2 TIP3 6640 48.218 73.259 -19.400 1.00 0.00 WT1 O ATOM 19556 H1 TIP3 6640 48.431 73.516 -20.297 1.00 0.00 WT1 H ATOM 19557 H2 TIP3 6640 49.065 73.060 -19.000 1.00 0.00 WT1 H ATOM 19558 OH2 TIP3 6641 76.049 1.190 9.374 1.00 0.00 WT1 O ATOM 19559 H1 TIP3 6641 76.481 1.507 10.168 1.00 0.00 WT1 H ATOM 19560 H2 TIP3 6641 75.973 1.965 8.817 1.00 0.00 WT1 H ATOM 19561 OH2 TIP3 6642 88.555 2.035 3.736 1.00 0.00 WT1 O ATOM 19562 H1 TIP3 6642 88.101 2.863 3.895 1.00 0.00 WT1 H ATOM 19563 H2 TIP3 6642 89.413 2.293 3.399 1.00 0.00 WT1 H ATOM 19564 OH2 TIP3 6643 86.924 55.533 2.379 1.00 0.00 WT1 O ATOM 19565 H1 TIP3 6643 86.087 55.985 2.278 1.00 0.00 WT1 H ATOM 19566 H2 TIP3 6643 86.714 54.749 2.887 1.00 0.00 WT1 H ATOM 19567 OH2 TIP3 6644 86.166 89.430 48.844 1.00 0.00 WT1 O ATOM 19568 H1 TIP3 6644 85.460 89.143 48.264 1.00 0.00 WT1 H ATOM 19569 H2 TIP3 6644 85.910 89.111 49.709 1.00 0.00 WT1 H ATOM 19570 OH2 TIP3 6645 25.526 66.623 22.752 1.00 0.00 WT1 O ATOM 19571 H1 TIP3 6645 25.707 65.706 22.960 1.00 0.00 WT1 H ATOM 19572 H2 TIP3 6645 25.811 67.106 23.528 1.00 0.00 WT1 H ATOM 19573 OH2 TIP3 6647 30.281 52.049 8.627 1.00 0.00 WT1 O ATOM 19574 H1 TIP3 6647 30.910 52.771 8.629 1.00 0.00 WT1 H ATOM 19575 H2 TIP3 6647 30.821 51.261 8.688 1.00 0.00 WT1 H ATOM 19576 OH2 TIP3 6648 51.106 41.777 58.321 1.00 0.00 WT1 O ATOM 19577 H1 TIP3 6648 51.257 42.328 59.089 1.00 0.00 WT1 H ATOM 19578 H2 TIP3 6648 51.782 42.044 57.698 1.00 0.00 WT1 H ATOM 19579 OH2 TIP3 6649 62.315 42.129 -19.251 1.00 0.00 WT1 O ATOM 19580 H1 TIP3 6649 62.959 42.836 -19.212 1.00 0.00 WT1 H ATOM 19581 H2 TIP3 6649 61.474 42.575 -19.354 1.00 0.00 WT1 H ATOM 19582 OH2 TIP3 6650 33.052 93.944 30.904 1.00 0.00 WT1 O ATOM 19583 H1 TIP3 6650 33.421 94.412 30.155 1.00 0.00 WT1 H ATOM 19584 H2 TIP3 6650 32.373 94.528 31.242 1.00 0.00 WT1 H ATOM 19585 OH2 TIP3 6651 83.556 65.099 7.773 1.00 0.00 WT1 O ATOM 19586 H1 TIP3 6651 83.685 64.679 6.922 1.00 0.00 WT1 H ATOM 19587 H2 TIP3 6651 83.836 64.442 8.410 1.00 0.00 WT1 H ATOM 19588 OH2 TIP3 6652 34.059 87.251 51.570 1.00 0.00 WT1 O ATOM 19589 H1 TIP3 6652 33.885 86.909 50.694 1.00 0.00 WT1 H ATOM 19590 H2 TIP3 6652 33.324 86.942 52.100 1.00 0.00 WT1 H ATOM 19591 OH2 TIP3 6653 36.141 73.490 61.884 1.00 0.00 WT1 O ATOM 19592 H1 TIP3 6653 37.059 73.704 61.718 1.00 0.00 WT1 H ATOM 19593 H2 TIP3 6653 35.876 72.965 61.128 1.00 0.00 WT1 H ATOM 19594 OH2 TIP3 6654 57.689 40.466 -5.922 1.00 0.00 WT1 O ATOM 19595 H1 TIP3 6654 57.778 40.613 -6.864 1.00 0.00 WT1 H ATOM 19596 H2 TIP3 6654 56.763 40.259 -5.798 1.00 0.00 WT1 H ATOM 19597 OH2 TIP3 6655 68.826 19.151 62.870 1.00 0.00 WT1 O ATOM 19598 H1 TIP3 6655 69.359 19.934 62.730 1.00 0.00 WT1 H ATOM 19599 H2 TIP3 6655 69.303 18.453 62.421 1.00 0.00 WT1 H ATOM 19600 OH2 TIP3 6656 37.763 15.167 5.272 1.00 0.00 WT1 O ATOM 19601 H1 TIP3 6656 38.032 14.994 4.370 1.00 0.00 WT1 H ATOM 19602 H2 TIP3 6656 36.918 15.609 5.191 1.00 0.00 WT1 H ATOM 19603 OH2 TIP3 6657 71.507 45.272 13.112 1.00 0.00 WT1 O ATOM 19604 H1 TIP3 6657 71.226 44.546 12.555 1.00 0.00 WT1 H ATOM 19605 H2 TIP3 6657 70.821 45.346 13.775 1.00 0.00 WT1 H ATOM 19606 OH2 TIP3 6658 26.770 86.353 -2.638 1.00 0.00 WT1 O ATOM 19607 H1 TIP3 6658 27.326 86.393 -1.860 1.00 0.00 WT1 H ATOM 19608 H2 TIP3 6658 27.007 85.527 -3.060 1.00 0.00 WT1 H ATOM 19609 OH2 TIP3 6659 25.395 95.782 29.236 1.00 0.00 WT1 O ATOM 19610 H1 TIP3 6659 25.528 94.983 28.725 1.00 0.00 WT1 H ATOM 19611 H2 TIP3 6659 24.478 95.743 29.508 1.00 0.00 WT1 H ATOM 19612 OH2 TIP3 6660 21.519 19.725 -12.325 1.00 0.00 WT1 O ATOM 19613 H1 TIP3 6660 21.989 20.431 -11.883 1.00 0.00 WT1 H ATOM 19614 H2 TIP3 6660 20.977 20.169 -12.977 1.00 0.00 WT1 H ATOM 19615 OH2 TIP3 6661 33.173 64.108 17.082 1.00 0.00 WT1 O ATOM 19616 H1 TIP3 6661 34.072 63.983 16.779 1.00 0.00 WT1 H ATOM 19617 H2 TIP3 6661 32.931 63.269 17.472 1.00 0.00 WT1 H ATOM 19618 OH2 TIP3 6662 29.611 88.449 64.840 1.00 0.00 WT1 O ATOM 19619 H1 TIP3 6662 29.664 88.851 63.973 1.00 0.00 WT1 H ATOM 19620 H2 TIP3 6662 29.964 87.568 64.718 1.00 0.00 WT1 H ATOM 19621 OH2 TIP3 6663 42.760 94.424 30.514 1.00 0.00 WT1 O ATOM 19622 H1 TIP3 6663 43.083 95.318 30.624 1.00 0.00 WT1 H ATOM 19623 H2 TIP3 6663 42.236 94.260 31.297 1.00 0.00 WT1 H ATOM 19624 OH2 TIP3 6664 76.744 65.301 1.420 1.00 0.00 WT1 O ATOM 19625 H1 TIP3 6664 77.017 64.498 1.864 1.00 0.00 WT1 H ATOM 19626 H2 TIP3 6664 75.788 65.287 1.466 1.00 0.00 WT1 H ATOM 19627 OH2 TIP3 6665 74.894 93.177 3.446 1.00 0.00 WT1 O ATOM 19628 H1 TIP3 6665 75.372 93.860 3.917 1.00 0.00 WT1 H ATOM 19629 H2 TIP3 6665 74.966 92.404 4.006 1.00 0.00 WT1 H ATOM 19630 OH2 TIP3 6666 71.825 76.624 13.184 1.00 0.00 WT1 O ATOM 19631 H1 TIP3 6666 71.457 77.236 13.822 1.00 0.00 WT1 H ATOM 19632 H2 TIP3 6666 71.363 76.820 12.369 1.00 0.00 WT1 H ATOM 19633 OH2 TIP3 6667 56.617 72.762 6.790 1.00 0.00 WT1 O ATOM 19634 H1 TIP3 6667 57.084 71.953 7.000 1.00 0.00 WT1 H ATOM 19635 H2 TIP3 6667 55.760 72.659 7.204 1.00 0.00 WT1 H ATOM 19636 OH2 TIP3 6668 63.897 50.072 28.327 1.00 0.00 WT1 O ATOM 19637 H1 TIP3 6668 63.002 50.374 28.484 1.00 0.00 WT1 H ATOM 19638 H2 TIP3 6668 64.119 50.419 27.463 1.00 0.00 WT1 H ATOM 19639 OH2 TIP3 6669 70.267 58.791 66.666 1.00 0.00 WT1 O ATOM 19640 H1 TIP3 6669 71.223 58.823 66.716 1.00 0.00 WT1 H ATOM 19641 H2 TIP3 6669 70.086 58.330 65.847 1.00 0.00 WT1 H ATOM 19642 OH2 TIP3 6670 86.885 58.494 25.052 1.00 0.00 WT1 O ATOM 19643 H1 TIP3 6670 86.688 57.886 24.339 1.00 0.00 WT1 H ATOM 19644 H2 TIP3 6670 87.534 58.035 25.585 1.00 0.00 WT1 H ATOM 19645 OH2 TIP3 6671 33.980 90.557 53.864 1.00 0.00 WT1 O ATOM 19646 H1 TIP3 6671 33.923 91.201 54.569 1.00 0.00 WT1 H ATOM 19647 H2 TIP3 6671 33.689 91.029 53.083 1.00 0.00 WT1 H ATOM 19648 OH2 TIP3 6672 51.373 38.229 56.509 1.00 0.00 WT1 O ATOM 19649 H1 TIP3 6672 52.208 38.692 56.446 1.00 0.00 WT1 H ATOM 19650 H2 TIP3 6672 50.957 38.590 57.292 1.00 0.00 WT1 H ATOM 19651 OH2 TIP3 6673 81.961 95.012 34.029 1.00 0.00 WT1 O ATOM 19652 H1 TIP3 6673 81.047 94.730 34.002 1.00 0.00 WT1 H ATOM 19653 H2 TIP3 6673 82.130 95.362 33.155 1.00 0.00 WT1 H ATOM 19654 OH2 TIP3 6674 70.758 83.557 61.649 1.00 0.00 WT1 O ATOM 19655 H1 TIP3 6674 71.214 83.933 62.402 1.00 0.00 WT1 H ATOM 19656 H2 TIP3 6674 70.080 84.199 61.434 1.00 0.00 WT1 H ATOM 19657 OH2 TIP3 6677 59.493 39.987 54.844 1.00 0.00 WT1 O ATOM 19658 H1 TIP3 6677 59.324 40.746 55.401 1.00 0.00 WT1 H ATOM 19659 H2 TIP3 6677 58.632 39.746 54.500 1.00 0.00 WT1 H ATOM 19660 OH2 TIP3 6678 54.880 60.899 19.477 1.00 0.00 WT1 O ATOM 19661 H1 TIP3 6678 54.110 60.932 18.909 1.00 0.00 WT1 H ATOM 19662 H2 TIP3 6678 54.536 60.641 20.332 1.00 0.00 WT1 H ATOM 19663 OH2 TIP3 6679 58.836 80.400 27.339 1.00 0.00 WT1 O ATOM 19664 H1 TIP3 6679 59.022 81.085 27.981 1.00 0.00 WT1 H ATOM 19665 H2 TIP3 6679 58.951 80.829 26.491 1.00 0.00 WT1 H ATOM 19666 OH2 TIP3 6680 59.227 13.288 54.692 1.00 0.00 WT1 O ATOM 19667 H1 TIP3 6680 59.893 13.948 54.498 1.00 0.00 WT1 H ATOM 19668 H2 TIP3 6680 59.032 12.888 53.844 1.00 0.00 WT1 H ATOM 19669 OH2 TIP3 6681 74.036 37.802 -6.228 1.00 0.00 WT1 O ATOM 19670 H1 TIP3 6681 73.215 38.262 -6.056 1.00 0.00 WT1 H ATOM 19671 H2 TIP3 6681 74.583 37.993 -5.466 1.00 0.00 WT1 H ATOM 19672 OH2 TIP3 6682 57.461 20.565 65.783 1.00 0.00 WT1 O ATOM 19673 H1 TIP3 6682 58.287 21.022 65.624 1.00 0.00 WT1 H ATOM 19674 H2 TIP3 6682 57.456 19.851 65.146 1.00 0.00 WT1 H ATOM 19675 OH2 TIP3 6683 47.984 3.060 8.315 1.00 0.00 WT1 O ATOM 19676 H1 TIP3 6683 47.546 2.501 8.957 1.00 0.00 WT1 H ATOM 19677 H2 TIP3 6683 48.674 2.509 7.947 1.00 0.00 WT1 H ATOM 19678 OH2 TIP3 6684 31.685 91.307 19.077 1.00 0.00 WT1 O ATOM 19679 H1 TIP3 6684 31.301 91.233 19.951 1.00 0.00 WT1 H ATOM 19680 H2 TIP3 6684 30.961 91.598 18.521 1.00 0.00 WT1 H ATOM 19681 OH2 TIP3 6685 40.775 6.244 26.464 1.00 0.00 WT1 O ATOM 19682 H1 TIP3 6685 40.882 6.858 25.738 1.00 0.00 WT1 H ATOM 19683 H2 TIP3 6685 41.591 6.316 26.960 1.00 0.00 WT1 H ATOM 19684 OH2 TIP3 6686 26.119 22.066 2.860 1.00 0.00 WT1 O ATOM 19685 H1 TIP3 6686 25.482 22.162 2.153 1.00 0.00 WT1 H ATOM 19686 H2 TIP3 6686 25.804 22.651 3.549 1.00 0.00 WT1 H ATOM 19687 OH2 TIP3 6687 49.578 90.668 41.366 1.00 0.00 WT1 O ATOM 19688 H1 TIP3 6687 49.374 89.979 40.733 1.00 0.00 WT1 H ATOM 19689 H2 TIP3 6687 50.482 90.914 41.168 1.00 0.00 WT1 H ATOM 19690 OH2 TIP3 6688 37.548 51.408 54.846 1.00 0.00 WT1 O ATOM 19691 H1 TIP3 6688 38.343 51.671 54.382 1.00 0.00 WT1 H ATOM 19692 H2 TIP3 6688 36.833 51.737 54.301 1.00 0.00 WT1 H ATOM 19693 OH2 TIP3 6689 26.408 2.502 -5.948 1.00 0.00 WT1 O ATOM 19694 H1 TIP3 6689 27.067 2.170 -6.558 1.00 0.00 WT1 H ATOM 19695 H2 TIP3 6689 26.616 3.432 -5.853 1.00 0.00 WT1 H ATOM 19696 OH2 TIP3 6690 26.149 20.557 44.857 1.00 0.00 WT1 O ATOM 19697 H1 TIP3 6690 25.693 21.038 44.167 1.00 0.00 WT1 H ATOM 19698 H2 TIP3 6690 26.383 21.226 45.501 1.00 0.00 WT1 H ATOM 19699 OH2 TIP3 6691 85.617 21.043 60.135 1.00 0.00 WT1 O ATOM 19700 H1 TIP3 6691 85.159 21.522 59.444 1.00 0.00 WT1 H ATOM 19701 H2 TIP3 6691 86.498 21.418 60.143 1.00 0.00 WT1 H ATOM 19702 OH2 TIP3 6692 85.425 40.185 -12.904 1.00 0.00 WT1 O ATOM 19703 H1 TIP3 6692 86.366 40.036 -12.816 1.00 0.00 WT1 H ATOM 19704 H2 TIP3 6692 85.034 39.683 -12.189 1.00 0.00 WT1 H ATOM 19705 OH2 TIP3 6693 55.258 92.753 38.473 1.00 0.00 WT1 O ATOM 19706 H1 TIP3 6693 55.087 91.817 38.371 1.00 0.00 WT1 H ATOM 19707 H2 TIP3 6693 55.970 92.936 37.860 1.00 0.00 WT1 H ATOM 19708 OH2 TIP3 6694 71.185 68.239 31.466 1.00 0.00 WT1 O ATOM 19709 H1 TIP3 6694 70.800 67.383 31.280 1.00 0.00 WT1 H ATOM 19710 H2 TIP3 6694 70.623 68.861 31.005 1.00 0.00 WT1 H ATOM 19711 OH2 TIP3 6695 38.300 8.206 35.534 1.00 0.00 WT1 O ATOM 19712 H1 TIP3 6695 38.784 9.031 35.496 1.00 0.00 WT1 H ATOM 19713 H2 TIP3 6695 37.869 8.142 34.682 1.00 0.00 WT1 H ATOM 19714 OH2 TIP3 6696 87.875 88.111 34.842 1.00 0.00 WT1 O ATOM 19715 H1 TIP3 6696 87.493 87.478 34.235 1.00 0.00 WT1 H ATOM 19716 H2 TIP3 6696 87.136 88.651 35.123 1.00 0.00 WT1 H ATOM 19717 OH2 TIP3 6697 75.528 65.776 25.873 1.00 0.00 WT1 O ATOM 19718 H1 TIP3 6697 75.101 65.042 26.316 1.00 0.00 WT1 H ATOM 19719 H2 TIP3 6697 74.809 66.354 25.618 1.00 0.00 WT1 H ATOM 19720 OH2 TIP3 6698 76.260 20.736 -15.258 1.00 0.00 WT1 O ATOM 19721 H1 TIP3 6698 75.872 20.814 -16.129 1.00 0.00 WT1 H ATOM 19722 H2 TIP3 6698 77.170 20.487 -15.421 1.00 0.00 WT1 H ATOM 19723 OH2 TIP3 6699 83.141 75.235 22.237 1.00 0.00 WT1 O ATOM 19724 H1 TIP3 6699 82.242 75.093 21.939 1.00 0.00 WT1 H ATOM 19725 H2 TIP3 6699 83.302 74.525 22.858 1.00 0.00 WT1 H ATOM 19726 OH2 TIP3 6700 57.891 79.188 -10.173 1.00 0.00 WT1 O ATOM 19727 H1 TIP3 6700 57.957 78.249 -10.001 1.00 0.00 WT1 H ATOM 19728 H2 TIP3 6700 58.799 79.492 -10.195 1.00 0.00 WT1 H ATOM 19729 OH2 TIP3 6701 25.989 13.300 -18.248 1.00 0.00 WT1 O ATOM 19730 H1 TIP3 6701 25.414 12.556 -18.071 1.00 0.00 WT1 H ATOM 19731 H2 TIP3 6701 25.451 13.903 -18.761 1.00 0.00 WT1 H ATOM 19732 OH2 TIP3 6702 87.867 0.777 51.355 1.00 0.00 WT1 O ATOM 19733 H1 TIP3 6702 87.607 1.696 51.411 1.00 0.00 WT1 H ATOM 19734 H2 TIP3 6702 87.077 0.289 51.587 1.00 0.00 WT1 H ATOM 19735 OH2 TIP3 6703 51.161 5.752 10.417 1.00 0.00 WT1 O ATOM 19736 H1 TIP3 6703 51.023 6.431 11.077 1.00 0.00 WT1 H ATOM 19737 H2 TIP3 6703 50.281 5.446 10.199 1.00 0.00 WT1 H ATOM 19738 OH2 TIP3 6704 35.810 54.466 -18.641 1.00 0.00 WT1 O ATOM 19739 H1 TIP3 6704 35.064 54.096 -19.114 1.00 0.00 WT1 H ATOM 19740 H2 TIP3 6704 35.524 54.496 -17.728 1.00 0.00 WT1 H ATOM 19741 OH2 TIP3 6705 57.547 5.960 -15.249 1.00 0.00 WT1 O ATOM 19742 H1 TIP3 6705 56.808 6.432 -15.633 1.00 0.00 WT1 H ATOM 19743 H2 TIP3 6705 57.837 5.364 -15.939 1.00 0.00 WT1 H ATOM 19744 OH2 TIP3 6706 63.869 84.359 -7.355 1.00 0.00 WT1 O ATOM 19745 H1 TIP3 6706 63.607 84.602 -8.243 1.00 0.00 WT1 H ATOM 19746 H2 TIP3 6706 63.376 84.952 -6.788 1.00 0.00 WT1 H ATOM 19747 OH2 TIP3 6707 29.482 37.958 45.974 1.00 0.00 WT1 O ATOM 19748 H1 TIP3 6707 30.162 37.953 46.648 1.00 0.00 WT1 H ATOM 19749 H2 TIP3 6707 29.371 38.883 45.752 1.00 0.00 WT1 H ATOM 19750 OH2 TIP3 6708 83.280 17.198 60.759 1.00 0.00 WT1 O ATOM 19751 H1 TIP3 6708 83.035 17.852 61.413 1.00 0.00 WT1 H ATOM 19752 H2 TIP3 6708 83.997 17.604 60.271 1.00 0.00 WT1 H ATOM 19753 OH2 TIP3 6709 28.351 11.917 -17.460 1.00 0.00 WT1 O ATOM 19754 H1 TIP3 6709 27.796 12.661 -17.692 1.00 0.00 WT1 H ATOM 19755 H2 TIP3 6709 27.972 11.578 -16.649 1.00 0.00 WT1 H ATOM 19756 OH2 TIP3 6710 27.343 22.032 50.146 1.00 0.00 WT1 O ATOM 19757 H1 TIP3 6710 27.831 22.418 50.873 1.00 0.00 WT1 H ATOM 19758 H2 TIP3 6710 28.015 21.652 49.580 1.00 0.00 WT1 H ATOM 19759 OH2 TIP3 6711 23.992 33.884 5.569 1.00 0.00 WT1 O ATOM 19760 H1 TIP3 6711 24.021 34.296 6.433 1.00 0.00 WT1 H ATOM 19761 H2 TIP3 6711 24.619 33.164 5.626 1.00 0.00 WT1 H ATOM 19762 OH2 TIP3 6712 29.610 25.051 -5.443 1.00 0.00 WT1 O ATOM 19763 H1 TIP3 6712 29.405 24.800 -4.542 1.00 0.00 WT1 H ATOM 19764 H2 TIP3 6712 29.878 25.968 -5.381 1.00 0.00 WT1 H ATOM 19765 OH2 TIP3 6713 54.523 6.654 11.970 1.00 0.00 WT1 O ATOM 19766 H1 TIP3 6713 54.075 7.261 12.560 1.00 0.00 WT1 H ATOM 19767 H2 TIP3 6713 53.916 5.920 11.876 1.00 0.00 WT1 H ATOM 19768 OH2 TIP3 6714 67.952 7.630 -0.782 1.00 0.00 WT1 O ATOM 19769 H1 TIP3 6714 68.162 8.445 -0.325 1.00 0.00 WT1 H ATOM 19770 H2 TIP3 6714 67.071 7.406 -0.481 1.00 0.00 WT1 H ATOM 19771 OH2 TIP3 6715 83.091 15.094 0.224 1.00 0.00 WT1 O ATOM 19772 H1 TIP3 6715 82.576 15.837 0.538 1.00 0.00 WT1 H ATOM 19773 H2 TIP3 6715 82.812 14.360 0.771 1.00 0.00 WT1 H ATOM 19774 OH2 TIP3 6716 74.236 89.204 58.147 1.00 0.00 WT1 O ATOM 19775 H1 TIP3 6716 73.641 89.578 58.797 1.00 0.00 WT1 H ATOM 19776 H2 TIP3 6716 73.663 88.895 57.446 1.00 0.00 WT1 H ATOM 19777 OH2 TIP3 6717 81.657 94.906 -0.161 1.00 0.00 WT1 O ATOM 19778 H1 TIP3 6717 81.125 94.884 -0.956 1.00 0.00 WT1 H ATOM 19779 H2 TIP3 6717 81.698 95.833 0.075 1.00 0.00 WT1 H ATOM 19780 OH2 TIP3 6718 33.151 70.524 -11.303 1.00 0.00 WT1 O ATOM 19781 H1 TIP3 6718 34.022 70.259 -11.007 1.00 0.00 WT1 H ATOM 19782 H2 TIP3 6718 33.254 71.441 -11.560 1.00 0.00 WT1 H ATOM 19783 OH2 TIP3 6719 23.100 50.433 -12.646 1.00 0.00 WT1 O ATOM 19784 H1 TIP3 6719 22.328 50.544 -12.091 1.00 0.00 WT1 H ATOM 19785 H2 TIP3 6719 23.368 49.525 -12.507 1.00 0.00 WT1 H ATOM 19786 OH2 TIP3 6720 22.089 41.680 -5.889 1.00 0.00 WT1 O ATOM 19787 H1 TIP3 6720 21.170 41.560 -6.127 1.00 0.00 WT1 H ATOM 19788 H2 TIP3 6720 22.095 42.467 -5.343 1.00 0.00 WT1 H ATOM 19789 OH2 TIP3 6721 89.071 31.379 -7.114 1.00 0.00 WT1 O ATOM 19790 H1 TIP3 6721 88.918 31.867 -6.305 1.00 0.00 WT1 H ATOM 19791 H2 TIP3 6721 88.470 30.636 -7.064 1.00 0.00 WT1 H ATOM 19792 OH2 TIP3 6722 24.835 25.314 55.787 1.00 0.00 WT1 O ATOM 19793 H1 TIP3 6722 24.128 24.704 55.996 1.00 0.00 WT1 H ATOM 19794 H2 TIP3 6722 25.609 24.760 55.688 1.00 0.00 WT1 H ATOM 19795 OH2 TIP3 6723 52.125 6.641 52.861 1.00 0.00 WT1 O ATOM 19796 H1 TIP3 6723 51.805 6.922 53.718 1.00 0.00 WT1 H ATOM 19797 H2 TIP3 6723 53.076 6.734 52.917 1.00 0.00 WT1 H ATOM 19798 OH2 TIP3 6724 31.379 48.938 -4.302 1.00 0.00 WT1 O ATOM 19799 H1 TIP3 6724 31.371 48.474 -3.465 1.00 0.00 WT1 H ATOM 19800 H2 TIP3 6724 30.477 49.237 -4.419 1.00 0.00 WT1 H ATOM 19801 OH2 TIP3 6725 64.316 43.457 61.277 1.00 0.00 WT1 O ATOM 19802 H1 TIP3 6725 64.476 43.201 60.369 1.00 0.00 WT1 H ATOM 19803 H2 TIP3 6725 64.262 42.629 61.754 1.00 0.00 WT1 H ATOM 19804 OH2 TIP3 6726 36.052 48.926 20.844 1.00 0.00 WT1 O ATOM 19805 H1 TIP3 6726 36.514 48.962 21.681 1.00 0.00 WT1 H ATOM 19806 H2 TIP3 6726 36.730 48.708 20.205 1.00 0.00 WT1 H ATOM 19807 OH2 TIP3 6727 66.811 21.609 15.490 1.00 0.00 WT1 O ATOM 19808 H1 TIP3 6727 66.049 21.643 14.911 1.00 0.00 WT1 H ATOM 19809 H2 TIP3 6727 66.448 21.704 16.370 1.00 0.00 WT1 H ATOM 19810 OH2 TIP3 6728 23.488 71.579 -12.831 1.00 0.00 WT1 O ATOM 19811 H1 TIP3 6728 24.121 72.209 -12.486 1.00 0.00 WT1 H ATOM 19812 H2 TIP3 6728 22.743 71.636 -12.233 1.00 0.00 WT1 H ATOM 19813 OH2 TIP3 6729 67.822 86.097 24.186 1.00 0.00 WT1 O ATOM 19814 H1 TIP3 6729 67.204 86.421 24.841 1.00 0.00 WT1 H ATOM 19815 H2 TIP3 6729 67.289 85.560 23.599 1.00 0.00 WT1 H ATOM 19816 OH2 TIP3 6730 66.951 55.472 25.343 1.00 0.00 WT1 O ATOM 19817 H1 TIP3 6730 66.795 54.690 24.815 1.00 0.00 WT1 H ATOM 19818 H2 TIP3 6730 66.076 55.795 25.559 1.00 0.00 WT1 H ATOM 19819 OH2 TIP3 6731 53.730 79.965 4.853 1.00 0.00 WT1 O ATOM 19820 H1 TIP3 6731 54.083 79.359 5.503 1.00 0.00 WT1 H ATOM 19821 H2 TIP3 6731 53.916 79.550 4.011 1.00 0.00 WT1 H ATOM 19822 OH2 TIP3 6732 83.102 18.693 -3.037 1.00 0.00 WT1 O ATOM 19823 H1 TIP3 6732 83.293 18.806 -2.106 1.00 0.00 WT1 H ATOM 19824 H2 TIP3 6732 82.793 17.790 -3.111 1.00 0.00 WT1 H ATOM 19825 OH2 TIP3 6733 84.080 30.300 34.166 1.00 0.00 WT1 O ATOM 19826 H1 TIP3 6733 83.157 30.331 33.915 1.00 0.00 WT1 H ATOM 19827 H2 TIP3 6733 84.550 30.610 33.392 1.00 0.00 WT1 H ATOM 19828 OH2 TIP3 6734 23.309 5.564 46.465 1.00 0.00 WT1 O ATOM 19829 H1 TIP3 6734 24.191 5.544 46.836 1.00 0.00 WT1 H ATOM 19830 H2 TIP3 6734 22.906 4.748 46.760 1.00 0.00 WT1 H ATOM 19831 OH2 TIP3 6735 33.455 25.930 25.492 1.00 0.00 WT1 O ATOM 19832 H1 TIP3 6735 34.410 25.979 25.503 1.00 0.00 WT1 H ATOM 19833 H2 TIP3 6735 33.211 26.191 24.604 1.00 0.00 WT1 H ATOM 19834 OH2 TIP3 6736 27.355 69.814 31.660 1.00 0.00 WT1 O ATOM 19835 H1 TIP3 6736 26.540 70.189 31.994 1.00 0.00 WT1 H ATOM 19836 H2 TIP3 6736 28.040 70.211 32.199 1.00 0.00 WT1 H ATOM 19837 OH2 TIP3 6737 85.528 12.773 41.792 1.00 0.00 WT1 O ATOM 19838 H1 TIP3 6737 85.841 12.084 42.378 1.00 0.00 WT1 H ATOM 19839 H2 TIP3 6737 85.478 13.553 42.344 1.00 0.00 WT1 H ATOM 19840 OH2 TIP3 6738 38.975 88.420 55.550 1.00 0.00 WT1 O ATOM 19841 H1 TIP3 6738 39.642 87.769 55.767 1.00 0.00 WT1 H ATOM 19842 H2 TIP3 6738 39.235 88.753 54.692 1.00 0.00 WT1 H ATOM 19843 OH2 TIP3 6739 54.124 7.474 48.538 1.00 0.00 WT1 O ATOM 19844 H1 TIP3 6739 54.664 7.963 49.159 1.00 0.00 WT1 H ATOM 19845 H2 TIP3 6739 54.326 6.556 48.715 1.00 0.00 WT1 H ATOM 19846 OH2 TIP3 6740 27.000 27.083 26.305 1.00 0.00 WT1 O ATOM 19847 H1 TIP3 6740 26.855 26.621 25.480 1.00 0.00 WT1 H ATOM 19848 H2 TIP3 6740 27.897 26.858 26.552 1.00 0.00 WT1 H ATOM 19849 OH2 TIP3 6741 63.460 3.219 37.849 1.00 0.00 WT1 O ATOM 19850 H1 TIP3 6741 63.132 4.087 38.083 1.00 0.00 WT1 H ATOM 19851 H2 TIP3 6741 63.832 3.332 36.974 1.00 0.00 WT1 H ATOM 19852 OH2 TIP3 6742 59.271 4.571 59.152 1.00 0.00 WT1 O ATOM 19853 H1 TIP3 6742 58.328 4.405 59.125 1.00 0.00 WT1 H ATOM 19854 H2 TIP3 6742 59.661 3.715 59.327 1.00 0.00 WT1 H ATOM 19855 OH2 TIP3 6743 73.664 86.430 39.244 1.00 0.00 WT1 O ATOM 19856 H1 TIP3 6743 74.193 87.223 39.332 1.00 0.00 WT1 H ATOM 19857 H2 TIP3 6743 73.579 86.303 38.299 1.00 0.00 WT1 H ATOM 19858 OH2 TIP3 6744 39.984 66.492 -15.871 1.00 0.00 WT1 O ATOM 19859 H1 TIP3 6744 39.965 67.315 -16.360 1.00 0.00 WT1 H ATOM 19860 H2 TIP3 6744 39.619 65.846 -16.475 1.00 0.00 WT1 H ATOM 19861 OH2 TIP3 6745 46.187 95.260 64.569 1.00 0.00 WT1 O ATOM 19862 H1 TIP3 6745 46.217 94.900 65.456 1.00 0.00 WT1 H ATOM 19863 H2 TIP3 6745 45.718 94.600 64.058 1.00 0.00 WT1 H ATOM 19864 OH2 TIP3 6746 52.393 37.076 1.559 1.00 0.00 WT1 O ATOM 19865 H1 TIP3 6746 52.093 37.813 1.028 1.00 0.00 WT1 H ATOM 19866 H2 TIP3 6746 51.741 36.999 2.255 1.00 0.00 WT1 H ATOM 19867 OH2 TIP3 6747 31.715 94.829 15.073 1.00 0.00 WT1 O ATOM 19868 H1 TIP3 6747 32.340 94.125 14.898 1.00 0.00 WT1 H ATOM 19869 H2 TIP3 6747 31.250 94.948 14.245 1.00 0.00 WT1 H ATOM 19870 OH2 TIP3 6748 54.374 8.009 57.018 1.00 0.00 WT1 O ATOM 19871 H1 TIP3 6748 54.028 8.352 56.195 1.00 0.00 WT1 H ATOM 19872 H2 TIP3 6748 54.959 7.298 56.755 1.00 0.00 WT1 H ATOM 19873 OH2 TIP3 6749 90.865 54.988 -7.850 1.00 0.00 WT1 O ATOM 19874 H1 TIP3 6749 90.211 54.914 -7.155 1.00 0.00 WT1 H ATOM 19875 H2 TIP3 6749 91.164 55.896 -7.801 1.00 0.00 WT1 H ATOM 19876 OH2 TIP3 6750 32.499 1.995 -18.479 1.00 0.00 WT1 O ATOM 19877 H1 TIP3 6750 33.039 2.066 -17.692 1.00 0.00 WT1 H ATOM 19878 H2 TIP3 6750 31.792 1.399 -18.232 1.00 0.00 WT1 H ATOM 19879 OH2 TIP3 6751 65.502 73.001 4.518 1.00 0.00 WT1 O ATOM 19880 H1 TIP3 6751 64.564 73.130 4.376 1.00 0.00 WT1 H ATOM 19881 H2 TIP3 6751 65.604 73.001 5.470 1.00 0.00 WT1 H ATOM 19882 OH2 TIP3 6752 75.750 49.122 21.876 1.00 0.00 WT1 O ATOM 19883 H1 TIP3 6752 74.943 48.674 22.130 1.00 0.00 WT1 H ATOM 19884 H2 TIP3 6752 76.097 49.473 22.695 1.00 0.00 WT1 H ATOM 19885 OH2 TIP3 6753 51.541 95.984 20.169 1.00 0.00 WT1 O ATOM 19886 H1 TIP3 6753 50.818 95.390 19.968 1.00 0.00 WT1 H ATOM 19887 H2 TIP3 6753 52.317 95.543 19.822 1.00 0.00 WT1 H ATOM 19888 OH2 TIP3 6754 63.929 37.270 37.878 1.00 0.00 WT1 O ATOM 19889 H1 TIP3 6754 63.981 36.348 37.625 1.00 0.00 WT1 H ATOM 19890 H2 TIP3 6754 64.197 37.749 37.093 1.00 0.00 WT1 H ATOM 19891 OH2 TIP3 6755 31.783 17.299 -19.737 1.00 0.00 WT1 O ATOM 19892 H1 TIP3 6755 31.901 18.249 -19.744 1.00 0.00 WT1 H ATOM 19893 H2 TIP3 6755 32.544 16.960 -20.208 1.00 0.00 WT1 H ATOM 19894 OH2 TIP3 6756 33.100 63.989 23.409 1.00 0.00 WT1 O ATOM 19895 H1 TIP3 6756 33.604 63.791 24.199 1.00 0.00 WT1 H ATOM 19896 H2 TIP3 6756 33.761 64.187 22.746 1.00 0.00 WT1 H ATOM 19897 OH2 TIP3 6757 76.723 50.251 -3.284 1.00 0.00 WT1 O ATOM 19898 H1 TIP3 6757 77.245 50.963 -2.916 1.00 0.00 WT1 H ATOM 19899 H2 TIP3 6757 76.300 49.846 -2.527 1.00 0.00 WT1 H ATOM 19900 OH2 TIP3 6758 27.541 16.733 15.032 1.00 0.00 WT1 O ATOM 19901 H1 TIP3 6758 27.626 16.108 15.752 1.00 0.00 WT1 H ATOM 19902 H2 TIP3 6758 27.181 17.521 15.439 1.00 0.00 WT1 H ATOM 19903 OH2 TIP3 6759 88.697 59.522 37.144 1.00 0.00 WT1 O ATOM 19904 H1 TIP3 6759 89.556 59.310 36.779 1.00 0.00 WT1 H ATOM 19905 H2 TIP3 6759 88.075 59.072 36.572 1.00 0.00 WT1 H ATOM 19906 OH2 TIP3 6760 54.558 42.125 -5.612 1.00 0.00 WT1 O ATOM 19907 H1 TIP3 6760 53.925 42.234 -4.902 1.00 0.00 WT1 H ATOM 19908 H2 TIP3 6760 55.410 42.249 -5.195 1.00 0.00 WT1 H ATOM 19909 OH2 TIP3 6761 29.616 9.339 -16.480 1.00 0.00 WT1 O ATOM 19910 H1 TIP3 6761 29.384 10.038 -15.868 1.00 0.00 WT1 H ATOM 19911 H2 TIP3 6761 28.861 8.751 -16.469 1.00 0.00 WT1 H ATOM 19912 OH2 TIP3 6762 36.175 83.834 50.168 1.00 0.00 WT1 O ATOM 19913 H1 TIP3 6762 36.476 84.532 50.750 1.00 0.00 WT1 H ATOM 19914 H2 TIP3 6762 35.263 84.056 49.979 1.00 0.00 WT1 H ATOM 19915 OH2 TIP3 6763 82.900 89.793 6.158 1.00 0.00 WT1 O ATOM 19916 H1 TIP3 6763 83.231 89.148 6.783 1.00 0.00 WT1 H ATOM 19917 H2 TIP3 6763 83.546 89.795 5.452 1.00 0.00 WT1 H ATOM 19918 OH2 TIP3 6764 77.084 69.328 65.251 1.00 0.00 WT1 O ATOM 19919 H1 TIP3 6764 76.719 68.531 64.868 1.00 0.00 WT1 H ATOM 19920 H2 TIP3 6764 76.800 69.308 66.164 1.00 0.00 WT1 H ATOM 19921 OH2 TIP3 6765 71.104 34.867 14.478 1.00 0.00 WT1 O ATOM 19922 H1 TIP3 6765 70.385 35.063 15.079 1.00 0.00 WT1 H ATOM 19923 H2 TIP3 6765 70.673 34.629 13.658 1.00 0.00 WT1 H ATOM 19924 OH2 TIP3 6766 88.746 55.927 -13.088 1.00 0.00 WT1 O ATOM 19925 H1 TIP3 6766 89.381 55.862 -13.801 1.00 0.00 WT1 H ATOM 19926 H2 TIP3 6766 88.747 55.059 -12.685 1.00 0.00 WT1 H ATOM 19927 OH2 TIP3 6767 77.989 61.400 59.480 1.00 0.00 WT1 O ATOM 19928 H1 TIP3 6767 77.437 60.618 59.496 1.00 0.00 WT1 H ATOM 19929 H2 TIP3 6767 77.902 61.737 58.588 1.00 0.00 WT1 H ATOM 19930 OH2 TIP3 6768 60.207 14.192 7.442 1.00 0.00 WT1 O ATOM 19931 H1 TIP3 6768 59.322 14.434 7.169 1.00 0.00 WT1 H ATOM 19932 H2 TIP3 6768 60.626 15.024 7.661 1.00 0.00 WT1 H ATOM 19933 OH2 TIP3 6769 63.131 11.288 67.253 1.00 0.00 WT1 O ATOM 19934 H1 TIP3 6769 63.744 11.986 67.022 1.00 0.00 WT1 H ATOM 19935 H2 TIP3 6769 63.625 10.480 67.114 1.00 0.00 WT1 H ATOM 19936 OH2 TIP3 6770 59.065 23.013 -19.242 1.00 0.00 WT1 O ATOM 19937 H1 TIP3 6770 59.184 23.962 -19.215 1.00 0.00 WT1 H ATOM 19938 H2 TIP3 6770 58.582 22.809 -18.441 1.00 0.00 WT1 H ATOM 19939 OH2 TIP3 6771 64.728 80.404 16.409 1.00 0.00 WT1 O ATOM 19940 H1 TIP3 6771 63.775 80.340 16.471 1.00 0.00 WT1 H ATOM 19941 H2 TIP3 6771 65.045 80.094 17.257 1.00 0.00 WT1 H ATOM 19942 OH2 TIP3 6772 83.134 25.593 -16.688 1.00 0.00 WT1 O ATOM 19943 H1 TIP3 6772 84.075 25.615 -16.861 1.00 0.00 WT1 H ATOM 19944 H2 TIP3 6772 82.771 26.277 -17.250 1.00 0.00 WT1 H ATOM 19945 OH2 TIP3 6773 88.836 84.153 1.371 1.00 0.00 WT1 O ATOM 19946 H1 TIP3 6773 88.144 83.733 0.860 1.00 0.00 WT1 H ATOM 19947 H2 TIP3 6773 88.941 83.592 2.140 1.00 0.00 WT1 H ATOM 19948 OH2 TIP3 6775 61.578 6.718 28.153 1.00 0.00 WT1 O ATOM 19949 H1 TIP3 6775 61.978 7.562 27.948 1.00 0.00 WT1 H ATOM 19950 H2 TIP3 6775 60.701 6.769 27.774 1.00 0.00 WT1 H ATOM 19951 OH2 TIP3 6776 71.625 29.138 66.406 1.00 0.00 WT1 O ATOM 19952 H1 TIP3 6776 71.857 30.046 66.215 1.00 0.00 WT1 H ATOM 19953 H2 TIP3 6776 71.965 28.642 65.661 1.00 0.00 WT1 H ATOM 19954 OH2 TIP3 6777 64.237 1.594 -0.489 1.00 0.00 WT1 O ATOM 19955 H1 TIP3 6777 65.021 1.853 -0.005 1.00 0.00 WT1 H ATOM 19956 H2 TIP3 6777 63.831 0.919 0.055 1.00 0.00 WT1 H ATOM 19957 OH2 TIP3 6778 74.246 91.417 34.100 1.00 0.00 WT1 O ATOM 19958 H1 TIP3 6778 73.928 90.539 34.311 1.00 0.00 WT1 H ATOM 19959 H2 TIP3 6778 73.836 91.626 33.261 1.00 0.00 WT1 H ATOM 19960 OH2 TIP3 6779 27.348 95.540 -13.691 1.00 0.00 WT1 O ATOM 19961 H1 TIP3 6779 27.280 94.586 -13.663 1.00 0.00 WT1 H ATOM 19962 H2 TIP3 6779 27.044 95.828 -12.830 1.00 0.00 WT1 H ATOM 19963 OH2 TIP3 6780 28.549 1.314 -7.207 1.00 0.00 WT1 O ATOM 19964 H1 TIP3 6780 29.012 2.079 -6.866 1.00 0.00 WT1 H ATOM 19965 H2 TIP3 6780 29.057 0.566 -6.891 1.00 0.00 WT1 H ATOM 19966 OH2 TIP3 6781 78.855 32.429 38.981 1.00 0.00 WT1 O ATOM 19967 H1 TIP3 6781 79.453 32.579 38.248 1.00 0.00 WT1 H ATOM 19968 H2 TIP3 6781 78.546 33.302 39.221 1.00 0.00 WT1 H ATOM 19969 OH2 TIP3 6782 86.964 11.712 39.653 1.00 0.00 WT1 O ATOM 19970 H1 TIP3 6782 86.343 12.334 40.032 1.00 0.00 WT1 H ATOM 19971 H2 TIP3 6782 87.532 12.248 39.100 1.00 0.00 WT1 H ATOM 19972 OH2 TIP3 6783 53.385 91.574 16.501 1.00 0.00 WT1 O ATOM 19973 H1 TIP3 6783 53.924 92.270 16.876 1.00 0.00 WT1 H ATOM 19974 H2 TIP3 6783 53.403 90.877 17.157 1.00 0.00 WT1 H ATOM 19975 OH2 TIP3 6784 73.507 19.056 -3.137 1.00 0.00 WT1 O ATOM 19976 H1 TIP3 6784 74.021 18.627 -2.453 1.00 0.00 WT1 H ATOM 19977 H2 TIP3 6784 73.109 19.810 -2.702 1.00 0.00 WT1 H ATOM 19978 OH2 TIP3 6785 24.653 31.558 46.291 1.00 0.00 WT1 O ATOM 19979 H1 TIP3 6785 24.013 32.270 46.300 1.00 0.00 WT1 H ATOM 19980 H2 TIP3 6785 25.444 31.942 46.669 1.00 0.00 WT1 H ATOM 19981 OH2 TIP3 6786 76.521 47.092 26.179 1.00 0.00 WT1 O ATOM 19982 H1 TIP3 6786 76.091 47.896 25.888 1.00 0.00 WT1 H ATOM 19983 H2 TIP3 6786 76.077 46.865 26.996 1.00 0.00 WT1 H ATOM 19984 OH2 TIP3 6787 65.926 78.396 55.340 1.00 0.00 WT1 O ATOM 19985 H1 TIP3 6787 66.293 77.924 56.088 1.00 0.00 WT1 H ATOM 19986 H2 TIP3 6787 65.160 77.882 55.084 1.00 0.00 WT1 H ATOM 19987 OH2 TIP3 6788 21.015 28.664 62.791 1.00 0.00 WT1 O ATOM 19988 H1 TIP3 6788 21.365 28.048 63.434 1.00 0.00 WT1 H ATOM 19989 H2 TIP3 6788 21.770 29.188 62.524 1.00 0.00 WT1 H ATOM 19990 OH2 TIP3 6789 79.839 37.402 19.292 1.00 0.00 WT1 O ATOM 19991 H1 TIP3 6789 79.406 37.211 18.460 1.00 0.00 WT1 H ATOM 19992 H2 TIP3 6789 79.567 38.295 19.505 1.00 0.00 WT1 H ATOM 19993 OH2 TIP3 6790 77.020 65.142 -10.595 1.00 0.00 WT1 O ATOM 19994 H1 TIP3 6790 76.273 65.082 -11.190 1.00 0.00 WT1 H ATOM 19995 H2 TIP3 6790 76.646 65.007 -9.725 1.00 0.00 WT1 H ATOM 19996 OH2 TIP3 6791 80.512 12.744 -19.327 1.00 0.00 WT1 O ATOM 19997 H1 TIP3 6791 80.178 13.026 -18.475 1.00 0.00 WT1 H ATOM 19998 H2 TIP3 6791 80.227 11.834 -19.408 1.00 0.00 WT1 H ATOM 19999 OH2 TIP3 6792 31.715 37.519 -8.685 1.00 0.00 WT1 O ATOM 20000 H1 TIP3 6792 32.296 36.759 -8.657 1.00 0.00 WT1 H ATOM 20001 H2 TIP3 6792 31.983 38.054 -7.938 1.00 0.00 WT1 H ATOM 20002 OH2 TIP3 6793 69.652 44.963 -12.854 1.00 0.00 WT1 O ATOM 20003 H1 TIP3 6793 70.338 45.600 -12.654 1.00 0.00 WT1 H ATOM 20004 H2 TIP3 6793 69.690 44.335 -12.132 1.00 0.00 WT1 H ATOM 20005 OH2 TIP3 6794 32.624 31.517 66.426 1.00 0.00 WT1 O ATOM 20006 H1 TIP3 6794 32.708 32.267 65.837 1.00 0.00 WT1 H ATOM 20007 H2 TIP3 6794 32.375 31.899 67.267 1.00 0.00 WT1 H ATOM 20008 OH2 TIP3 6795 34.391 43.385 13.728 1.00 0.00 WT1 O ATOM 20009 H1 TIP3 6795 35.204 43.612 13.276 1.00 0.00 WT1 H ATOM 20010 H2 TIP3 6795 34.505 43.728 14.614 1.00 0.00 WT1 H ATOM 20011 OH2 TIP3 6798 88.687 37.251 26.475 1.00 0.00 WT1 O ATOM 20012 H1 TIP3 6798 88.056 37.876 26.832 1.00 0.00 WT1 H ATOM 20013 H2 TIP3 6798 89.044 37.686 25.700 1.00 0.00 WT1 H ATOM 20014 OH2 TIP3 6799 49.687 47.618 -13.999 1.00 0.00 WT1 O ATOM 20015 H1 TIP3 6799 50.312 48.334 -13.884 1.00 0.00 WT1 H ATOM 20016 H2 TIP3 6799 49.280 47.514 -13.139 1.00 0.00 WT1 H ATOM 20017 OH2 TIP3 6800 67.065 18.332 43.351 1.00 0.00 WT1 O ATOM 20018 H1 TIP3 6800 67.114 19.283 43.447 1.00 0.00 WT1 H ATOM 20019 H2 TIP3 6800 66.925 18.192 42.415 1.00 0.00 WT1 H ATOM 20020 OH2 TIP3 6801 26.328 68.296 -16.570 1.00 0.00 WT1 O ATOM 20021 H1 TIP3 6801 26.302 68.720 -15.712 1.00 0.00 WT1 H ATOM 20022 H2 TIP3 6801 25.514 67.794 -16.614 1.00 0.00 WT1 H ATOM 20023 OH2 TIP3 6802 55.219 32.262 13.380 1.00 0.00 WT1 O ATOM 20024 H1 TIP3 6802 55.407 31.350 13.157 1.00 0.00 WT1 H ATOM 20025 H2 TIP3 6802 54.307 32.389 13.119 1.00 0.00 WT1 H ATOM 20026 OH2 TIP3 6803 81.059 6.638 -19.155 1.00 0.00 WT1 O ATOM 20027 H1 TIP3 6803 81.585 6.621 -19.955 1.00 0.00 WT1 H ATOM 20028 H2 TIP3 6803 81.388 5.904 -18.636 1.00 0.00 WT1 H ATOM 20029 OH2 TIP3 6804 86.997 25.841 -5.218 1.00 0.00 WT1 O ATOM 20030 H1 TIP3 6804 86.723 26.392 -4.484 1.00 0.00 WT1 H ATOM 20031 H2 TIP3 6804 86.263 25.244 -5.358 1.00 0.00 WT1 H ATOM 20032 OH2 TIP3 6805 75.556 30.120 36.154 1.00 0.00 WT1 O ATOM 20033 H1 TIP3 6805 74.653 30.318 35.909 1.00 0.00 WT1 H ATOM 20034 H2 TIP3 6805 75.634 30.428 37.057 1.00 0.00 WT1 H ATOM 20035 OH2 TIP3 6806 68.029 37.573 16.087 1.00 0.00 WT1 O ATOM 20036 H1 TIP3 6806 68.859 37.988 15.855 1.00 0.00 WT1 H ATOM 20037 H2 TIP3 6806 67.373 38.044 15.574 1.00 0.00 WT1 H ATOM 20038 OH2 TIP3 6807 81.041 42.957 -0.162 1.00 0.00 WT1 O ATOM 20039 H1 TIP3 6807 80.489 42.277 0.226 1.00 0.00 WT1 H ATOM 20040 H2 TIP3 6807 81.769 43.053 0.452 1.00 0.00 WT1 H ATOM 20041 OH2 TIP3 6808 75.600 15.906 -17.549 1.00 0.00 WT1 O ATOM 20042 H1 TIP3 6808 74.798 15.608 -17.979 1.00 0.00 WT1 H ATOM 20043 H2 TIP3 6808 76.152 15.126 -17.503 1.00 0.00 WT1 H ATOM 20044 OH2 TIP3 6809 87.508 86.381 5.289 1.00 0.00 WT1 O ATOM 20045 H1 TIP3 6809 86.801 86.709 4.733 1.00 0.00 WT1 H ATOM 20046 H2 TIP3 6809 87.062 86.009 6.050 1.00 0.00 WT1 H ATOM 20047 OH2 TIP3 6810 63.161 23.142 33.338 1.00 0.00 WT1 O ATOM 20048 H1 TIP3 6810 64.103 23.024 33.220 1.00 0.00 WT1 H ATOM 20049 H2 TIP3 6810 62.945 22.597 34.095 1.00 0.00 WT1 H ATOM 20050 OH2 TIP3 6811 54.300 56.856 64.479 1.00 0.00 WT1 O ATOM 20051 H1 TIP3 6811 53.605 56.936 63.826 1.00 0.00 WT1 H ATOM 20052 H2 TIP3 6811 53.838 56.712 65.304 1.00 0.00 WT1 H ATOM 20053 OH2 TIP3 6812 76.335 28.365 -4.258 1.00 0.00 WT1 O ATOM 20054 H1 TIP3 6812 76.389 29.320 -4.299 1.00 0.00 WT1 H ATOM 20055 H2 TIP3 6812 76.484 28.156 -3.335 1.00 0.00 WT1 H ATOM 20056 OH2 TIP3 6813 24.341 45.402 -20.034 1.00 0.00 WT1 O ATOM 20057 H1 TIP3 6813 25.286 45.482 -19.909 1.00 0.00 WT1 H ATOM 20058 H2 TIP3 6813 24.182 44.458 -20.068 1.00 0.00 WT1 H ATOM 20059 OH2 TIP3 6814 59.761 45.772 47.168 1.00 0.00 WT1 O ATOM 20060 H1 TIP3 6814 60.288 44.987 47.315 1.00 0.00 WT1 H ATOM 20061 H2 TIP3 6814 58.855 45.465 47.215 1.00 0.00 WT1 H ATOM 20062 OH2 TIP3 6817 61.631 89.271 21.811 1.00 0.00 WT1 O ATOM 20063 H1 TIP3 6817 61.179 89.550 22.607 1.00 0.00 WT1 H ATOM 20064 H2 TIP3 6817 60.929 89.014 21.213 1.00 0.00 WT1 H ATOM 20065 OH2 TIP3 6818 33.796 57.004 -19.440 1.00 0.00 WT1 O ATOM 20066 H1 TIP3 6818 34.655 57.166 -19.049 1.00 0.00 WT1 H ATOM 20067 H2 TIP3 6818 33.731 56.050 -19.489 1.00 0.00 WT1 H ATOM 20068 OH2 TIP3 6819 55.822 5.853 41.119 1.00 0.00 WT1 O ATOM 20069 H1 TIP3 6819 56.614 5.492 41.518 1.00 0.00 WT1 H ATOM 20070 H2 TIP3 6819 56.127 6.616 40.628 1.00 0.00 WT1 H ATOM 20071 OH2 TIP3 6820 54.823 14.684 47.256 1.00 0.00 WT1 O ATOM 20072 H1 TIP3 6820 54.204 14.866 46.549 1.00 0.00 WT1 H ATOM 20073 H2 TIP3 6820 55.655 15.038 46.943 1.00 0.00 WT1 H ATOM 20074 OH2 TIP3 6822 42.286 56.984 13.994 1.00 0.00 WT1 O ATOM 20075 H1 TIP3 6822 42.484 57.088 14.925 1.00 0.00 WT1 H ATOM 20076 H2 TIP3 6822 42.211 57.879 13.663 1.00 0.00 WT1 H ATOM 20077 OH2 TIP3 6823 31.720 41.092 -13.076 1.00 0.00 WT1 O ATOM 20078 H1 TIP3 6823 32.577 41.455 -12.852 1.00 0.00 WT1 H ATOM 20079 H2 TIP3 6823 31.506 40.512 -12.345 1.00 0.00 WT1 H ATOM 20080 OH2 TIP3 6824 55.189 21.176 63.575 1.00 0.00 WT1 O ATOM 20081 H1 TIP3 6824 55.711 20.998 64.358 1.00 0.00 WT1 H ATOM 20082 H2 TIP3 6824 54.703 21.973 63.788 1.00 0.00 WT1 H ATOM 20083 OH2 TIP3 6825 48.867 2.594 42.012 1.00 0.00 WT1 O ATOM 20084 H1 TIP3 6825 47.942 2.767 42.189 1.00 0.00 WT1 H ATOM 20085 H2 TIP3 6825 48.937 2.618 41.057 1.00 0.00 WT1 H ATOM 20086 OH2 TIP3 6826 34.546 16.787 41.650 1.00 0.00 WT1 O ATOM 20087 H1 TIP3 6826 34.233 17.126 40.811 1.00 0.00 WT1 H ATOM 20088 H2 TIP3 6826 33.838 16.221 41.959 1.00 0.00 WT1 H ATOM 20089 OH2 TIP3 6827 78.173 83.332 46.178 1.00 0.00 WT1 O ATOM 20090 H1 TIP3 6827 77.814 82.504 45.859 1.00 0.00 WT1 H ATOM 20091 H2 TIP3 6827 78.683 83.672 45.443 1.00 0.00 WT1 H ATOM 20092 OH2 TIP3 6828 80.844 45.764 8.930 1.00 0.00 WT1 O ATOM 20093 H1 TIP3 6828 81.782 45.607 9.038 1.00 0.00 WT1 H ATOM 20094 H2 TIP3 6828 80.706 46.643 9.283 1.00 0.00 WT1 H ATOM 20095 OH2 TIP3 6829 79.594 77.018 -12.577 1.00 0.00 WT1 O ATOM 20096 H1 TIP3 6829 79.556 76.118 -12.902 1.00 0.00 WT1 H ATOM 20097 H2 TIP3 6829 80.200 76.980 -11.836 1.00 0.00 WT1 H ATOM 20098 OH2 TIP3 6831 63.329 10.646 16.006 1.00 0.00 WT1 O ATOM 20099 H1 TIP3 6831 64.049 11.005 16.524 1.00 0.00 WT1 H ATOM 20100 H2 TIP3 6831 63.566 9.729 15.869 1.00 0.00 WT1 H ATOM 20101 OH2 TIP3 6832 73.768 30.859 51.911 1.00 0.00 WT1 O ATOM 20102 H1 TIP3 6832 74.510 31.099 51.355 1.00 0.00 WT1 H ATOM 20103 H2 TIP3 6832 74.123 30.213 52.520 1.00 0.00 WT1 H ATOM 20104 OH2 TIP3 6833 72.364 53.531 11.446 1.00 0.00 WT1 O ATOM 20105 H1 TIP3 6833 72.075 52.843 10.846 1.00 0.00 WT1 H ATOM 20106 H2 TIP3 6833 71.680 53.567 12.116 1.00 0.00 WT1 H ATOM 20107 OH2 TIP3 6834 39.630 32.188 -6.430 1.00 0.00 WT1 O ATOM 20108 H1 TIP3 6834 38.711 31.925 -6.487 1.00 0.00 WT1 H ATOM 20109 H2 TIP3 6834 39.602 33.090 -6.110 1.00 0.00 WT1 H ATOM 20110 OH2 TIP3 6836 46.866 23.298 -4.339 1.00 0.00 WT1 O ATOM 20111 H1 TIP3 6836 47.466 23.330 -5.084 1.00 0.00 WT1 H ATOM 20112 H2 TIP3 6836 46.570 22.389 -4.307 1.00 0.00 WT1 H ATOM 20113 OH2 TIP3 6837 43.296 12.962 47.506 1.00 0.00 WT1 O ATOM 20114 H1 TIP3 6837 43.195 13.305 46.618 1.00 0.00 WT1 H ATOM 20115 H2 TIP3 6837 42.571 13.350 47.997 1.00 0.00 WT1 H ATOM 20116 OH2 TIP3 6838 74.682 51.359 -1.500 1.00 0.00 WT1 O ATOM 20117 H1 TIP3 6838 74.539 52.075 -0.880 1.00 0.00 WT1 H ATOM 20118 H2 TIP3 6838 73.876 51.324 -2.015 1.00 0.00 WT1 H ATOM 20119 OH2 TIP3 6839 47.578 25.381 55.218 1.00 0.00 WT1 O ATOM 20120 H1 TIP3 6839 47.538 25.810 56.073 1.00 0.00 WT1 H ATOM 20121 H2 TIP3 6839 47.475 24.449 55.412 1.00 0.00 WT1 H ATOM 20122 OH2 TIP3 6840 84.566 68.916 -17.405 1.00 0.00 WT1 O ATOM 20123 H1 TIP3 6840 83.654 68.741 -17.640 1.00 0.00 WT1 H ATOM 20124 H2 TIP3 6840 84.523 69.679 -16.829 1.00 0.00 WT1 H ATOM 20125 OH2 TIP3 6841 62.131 43.772 65.380 1.00 0.00 WT1 O ATOM 20126 H1 TIP3 6841 62.345 44.656 65.679 1.00 0.00 WT1 H ATOM 20127 H2 TIP3 6841 61.247 43.614 65.710 1.00 0.00 WT1 H ATOM 20128 OH2 TIP3 6842 51.468 18.108 24.341 1.00 0.00 WT1 O ATOM 20129 H1 TIP3 6842 51.603 18.452 25.224 1.00 0.00 WT1 H ATOM 20130 H2 TIP3 6842 51.396 18.886 23.788 1.00 0.00 WT1 H ATOM 20131 OH2 TIP3 6843 82.544 11.246 3.253 1.00 0.00 WT1 O ATOM 20132 H1 TIP3 6843 81.713 10.918 2.910 1.00 0.00 WT1 H ATOM 20133 H2 TIP3 6843 83.206 10.674 2.866 1.00 0.00 WT1 H ATOM 20134 OH2 TIP3 6844 28.242 95.419 38.424 1.00 0.00 WT1 O ATOM 20135 H1 TIP3 6844 28.926 95.103 39.014 1.00 0.00 WT1 H ATOM 20136 H2 TIP3 6844 27.525 94.793 38.533 1.00 0.00 WT1 H ATOM 20137 OH2 TIP3 6845 89.712 34.443 22.998 1.00 0.00 WT1 O ATOM 20138 H1 TIP3 6845 89.979 34.326 23.909 1.00 0.00 WT1 H ATOM 20139 H2 TIP3 6845 89.080 33.742 22.841 1.00 0.00 WT1 H ATOM 20140 OH2 TIP3 6846 41.475 68.015 9.117 1.00 0.00 WT1 O ATOM 20141 H1 TIP3 6846 41.673 68.637 9.818 1.00 0.00 WT1 H ATOM 20142 H2 TIP3 6846 42.203 67.394 9.135 1.00 0.00 WT1 H ATOM 20143 OH2 TIP3 6847 20.035 9.333 46.470 1.00 0.00 WT1 O ATOM 20144 H1 TIP3 6847 20.302 8.536 46.929 1.00 0.00 WT1 H ATOM 20145 H2 TIP3 6847 20.433 9.255 45.603 1.00 0.00 WT1 H ATOM 20146 OH2 TIP3 6848 65.929 32.991 11.939 1.00 0.00 WT1 O ATOM 20147 H1 TIP3 6848 65.004 32.855 12.145 1.00 0.00 WT1 H ATOM 20148 H2 TIP3 6848 65.925 33.401 11.074 1.00 0.00 WT1 H ATOM 20149 OH2 TIP3 6849 55.577 52.357 55.737 1.00 0.00 WT1 O ATOM 20150 H1 TIP3 6849 55.973 53.219 55.608 1.00 0.00 WT1 H ATOM 20151 H2 TIP3 6849 55.606 51.948 54.872 1.00 0.00 WT1 H ATOM 20152 OH2 TIP3 6850 52.368 58.195 -20.051 1.00 0.00 WT1 O ATOM 20153 H1 TIP3 6850 52.683 57.633 -19.343 1.00 0.00 WT1 H ATOM 20154 H2 TIP3 6850 51.428 58.020 -20.096 1.00 0.00 WT1 H ATOM 20155 OH2 TIP3 6851 88.511 34.417 59.656 1.00 0.00 WT1 O ATOM 20156 H1 TIP3 6851 89.377 34.334 59.256 1.00 0.00 WT1 H ATOM 20157 H2 TIP3 6851 88.489 35.311 59.997 1.00 0.00 WT1 H ATOM 20158 OH2 TIP3 6852 35.462 51.289 3.173 1.00 0.00 WT1 O ATOM 20159 H1 TIP3 6852 36.091 51.450 3.877 1.00 0.00 WT1 H ATOM 20160 H2 TIP3 6852 36.004 51.102 2.406 1.00 0.00 WT1 H ATOM 20161 OH2 TIP3 6853 75.658 95.954 13.028 1.00 0.00 WT1 O ATOM 20162 H1 TIP3 6853 76.110 95.214 13.434 1.00 0.00 WT1 H ATOM 20163 H2 TIP3 6853 75.524 95.683 12.120 1.00 0.00 WT1 H ATOM 20164 OH2 TIP3 6854 65.529 22.096 17.885 1.00 0.00 WT1 O ATOM 20165 H1 TIP3 6854 64.594 22.283 17.968 1.00 0.00 WT1 H ATOM 20166 H2 TIP3 6854 65.777 21.725 18.731 1.00 0.00 WT1 H ATOM 20167 OH2 TIP3 6855 49.567 60.821 7.637 1.00 0.00 WT1 O ATOM 20168 H1 TIP3 6855 49.381 61.413 8.366 1.00 0.00 WT1 H ATOM 20169 H2 TIP3 6855 50.445 61.069 7.345 1.00 0.00 WT1 H ATOM 20170 OH2 TIP3 6857 23.179 51.204 35.358 1.00 0.00 WT1 O ATOM 20171 H1 TIP3 6857 23.545 50.581 34.730 1.00 0.00 WT1 H ATOM 20172 H2 TIP3 6857 22.238 51.032 35.346 1.00 0.00 WT1 H ATOM 20173 OH2 TIP3 6858 69.228 18.456 30.491 1.00 0.00 WT1 O ATOM 20174 H1 TIP3 6858 69.431 18.701 29.588 1.00 0.00 WT1 H ATOM 20175 H2 TIP3 6858 68.344 18.093 30.448 1.00 0.00 WT1 H ATOM 20176 OH2 TIP3 6859 79.288 70.151 39.870 1.00 0.00 WT1 O ATOM 20177 H1 TIP3 6859 79.059 70.845 39.253 1.00 0.00 WT1 H ATOM 20178 H2 TIP3 6859 80.168 69.880 39.611 1.00 0.00 WT1 H ATOM 20179 OH2 TIP3 6860 76.123 28.190 43.444 1.00 0.00 WT1 O ATOM 20180 H1 TIP3 6860 75.938 27.257 43.340 1.00 0.00 WT1 H ATOM 20181 H2 TIP3 6860 75.406 28.630 42.987 1.00 0.00 WT1 H ATOM 20182 OH2 TIP3 6861 74.199 54.963 21.012 1.00 0.00 WT1 O ATOM 20183 H1 TIP3 6861 73.923 54.616 20.163 1.00 0.00 WT1 H ATOM 20184 H2 TIP3 6861 74.361 55.892 20.850 1.00 0.00 WT1 H ATOM 20185 OH2 TIP3 6862 73.002 35.582 38.979 1.00 0.00 WT1 O ATOM 20186 H1 TIP3 6862 72.106 35.683 39.300 1.00 0.00 WT1 H ATOM 20187 H2 TIP3 6862 73.455 36.369 39.280 1.00 0.00 WT1 H ATOM 20188 OH2 TIP3 6863 38.290 92.543 -17.898 1.00 0.00 WT1 O ATOM 20189 H1 TIP3 6863 38.864 92.848 -18.600 1.00 0.00 WT1 H ATOM 20190 H2 TIP3 6863 38.354 91.588 -17.934 1.00 0.00 WT1 H ATOM 20191 OH2 TIP3 6864 60.349 17.256 7.166 1.00 0.00 WT1 O ATOM 20192 H1 TIP3 6864 60.689 18.148 7.090 1.00 0.00 WT1 H ATOM 20193 H2 TIP3 6864 59.993 17.210 8.053 1.00 0.00 WT1 H ATOM 20194 OH2 TIP3 6865 83.805 63.517 33.166 1.00 0.00 WT1 O ATOM 20195 H1 TIP3 6865 83.742 63.630 32.217 1.00 0.00 WT1 H ATOM 20196 H2 TIP3 6865 83.296 64.243 33.528 1.00 0.00 WT1 H ATOM 20197 OH2 TIP3 6866 53.646 72.597 3.327 1.00 0.00 WT1 O ATOM 20198 H1 TIP3 6866 53.745 71.825 3.884 1.00 0.00 WT1 H ATOM 20199 H2 TIP3 6866 54.543 72.875 3.141 1.00 0.00 WT1 H ATOM 20200 OH2 TIP3 6867 30.617 4.028 31.580 1.00 0.00 WT1 O ATOM 20201 H1 TIP3 6867 31.161 3.289 31.849 1.00 0.00 WT1 H ATOM 20202 H2 TIP3 6867 30.301 3.790 30.708 1.00 0.00 WT1 H ATOM 20203 OH2 TIP3 6868 73.322 34.037 61.294 1.00 0.00 WT1 O ATOM 20204 H1 TIP3 6868 73.667 33.223 60.928 1.00 0.00 WT1 H ATOM 20205 H2 TIP3 6868 72.800 34.415 60.586 1.00 0.00 WT1 H ATOM 20206 OH2 TIP3 6869 20.550 48.529 16.275 1.00 0.00 WT1 O ATOM 20207 H1 TIP3 6869 20.630 48.737 17.206 1.00 0.00 WT1 H ATOM 20208 H2 TIP3 6869 20.448 49.379 15.847 1.00 0.00 WT1 H ATOM 20209 OH2 TIP3 6870 31.557 96.341 65.477 1.00 0.00 WT1 O ATOM 20210 H1 TIP3 6870 30.842 95.714 65.585 1.00 0.00 WT1 H ATOM 20211 H2 TIP3 6870 32.266 95.831 65.085 1.00 0.00 WT1 H ATOM 20212 OH2 TIP3 6872 34.430 23.131 21.617 1.00 0.00 WT1 O ATOM 20213 H1 TIP3 6872 34.266 23.538 20.766 1.00 0.00 WT1 H ATOM 20214 H2 TIP3 6872 33.737 23.472 22.183 1.00 0.00 WT1 H ATOM 20215 OH2 TIP3 6873 63.058 46.304 15.262 1.00 0.00 WT1 O ATOM 20216 H1 TIP3 6873 62.918 47.157 15.672 1.00 0.00 WT1 H ATOM 20217 H2 TIP3 6873 62.185 45.915 15.214 1.00 0.00 WT1 H ATOM 20218 OH2 TIP3 6874 20.821 81.414 0.950 1.00 0.00 WT1 O ATOM 20219 H1 TIP3 6874 20.772 80.460 1.010 1.00 0.00 WT1 H ATOM 20220 H2 TIP3 6874 20.253 81.637 0.212 1.00 0.00 WT1 H ATOM 20221 OH2 TIP3 6875 21.856 46.516 14.711 1.00 0.00 WT1 O ATOM 20222 H1 TIP3 6875 21.327 47.144 15.203 1.00 0.00 WT1 H ATOM 20223 H2 TIP3 6875 22.286 45.986 15.381 1.00 0.00 WT1 H ATOM 20224 OH2 TIP3 6878 50.451 18.678 66.456 1.00 0.00 WT1 O ATOM 20225 H1 TIP3 6878 50.280 18.244 65.620 1.00 0.00 WT1 H ATOM 20226 H2 TIP3 6878 50.363 19.612 66.265 1.00 0.00 WT1 H ATOM 20227 OH2 TIP3 6879 55.708 26.340 65.041 1.00 0.00 WT1 O ATOM 20228 H1 TIP3 6879 56.443 26.773 65.474 1.00 0.00 WT1 H ATOM 20229 H2 TIP3 6879 56.014 25.447 64.883 1.00 0.00 WT1 H ATOM 20230 OH2 TIP3 6880 56.229 5.328 47.620 1.00 0.00 WT1 O ATOM 20231 H1 TIP3 6880 56.635 5.530 48.463 1.00 0.00 WT1 H ATOM 20232 H2 TIP3 6880 56.355 4.386 47.513 1.00 0.00 WT1 H ATOM 20233 OH2 TIP3 6883 29.136 85.350 41.931 1.00 0.00 WT1 O ATOM 20234 H1 TIP3 6883 29.349 84.481 42.271 1.00 0.00 WT1 H ATOM 20235 H2 TIP3 6883 28.226 85.278 41.642 1.00 0.00 WT1 H ATOM 20236 OH2 TIP3 6884 32.734 79.263 40.999 1.00 0.00 WT1 O ATOM 20237 H1 TIP3 6884 32.730 78.346 40.724 1.00 0.00 WT1 H ATOM 20238 H2 TIP3 6884 31.926 79.626 40.636 1.00 0.00 WT1 H ATOM 20239 OH2 TIP3 6886 75.869 40.753 25.556 1.00 0.00 WT1 O ATOM 20240 H1 TIP3 6886 75.063 41.198 25.817 1.00 0.00 WT1 H ATOM 20241 H2 TIP3 6886 76.260 41.329 24.899 1.00 0.00 WT1 H ATOM 20242 OH2 TIP3 6887 76.271 56.426 0.474 1.00 0.00 WT1 O ATOM 20243 H1 TIP3 6887 75.336 56.572 0.330 1.00 0.00 WT1 H ATOM 20244 H2 TIP3 6887 76.311 55.889 1.265 1.00 0.00 WT1 H ATOM 20245 OH2 TIP3 6888 54.506 16.064 3.545 1.00 0.00 WT1 O ATOM 20246 H1 TIP3 6888 54.214 15.157 3.642 1.00 0.00 WT1 H ATOM 20247 H2 TIP3 6888 55.405 16.063 3.873 1.00 0.00 WT1 H ATOM 20248 OH2 TIP3 6889 38.853 56.505 12.849 1.00 0.00 WT1 O ATOM 20249 H1 TIP3 6889 39.683 56.117 13.125 1.00 0.00 WT1 H ATOM 20250 H2 TIP3 6889 38.870 57.391 13.211 1.00 0.00 WT1 H ATOM 20251 OH2 TIP3 6890 78.212 47.525 21.089 1.00 0.00 WT1 O ATOM 20252 H1 TIP3 6890 77.281 47.718 21.195 1.00 0.00 WT1 H ATOM 20253 H2 TIP3 6890 78.581 48.321 20.706 1.00 0.00 WT1 H ATOM 20254 OH2 TIP3 6891 49.697 76.557 -1.186 1.00 0.00 WT1 O ATOM 20255 H1 TIP3 6891 50.409 77.150 -0.946 1.00 0.00 WT1 H ATOM 20256 H2 TIP3 6891 49.364 76.231 -0.350 1.00 0.00 WT1 H ATOM 20257 OH2 TIP3 6892 43.901 4.747 -12.522 1.00 0.00 WT1 O ATOM 20258 H1 TIP3 6892 43.601 5.646 -12.390 1.00 0.00 WT1 H ATOM 20259 H2 TIP3 6892 44.847 4.826 -12.651 1.00 0.00 WT1 H ATOM 20260 OH2 TIP3 6893 57.571 19.016 61.812 1.00 0.00 WT1 O ATOM 20261 H1 TIP3 6893 56.827 18.511 62.141 1.00 0.00 WT1 H ATOM 20262 H2 TIP3 6893 57.492 18.967 60.859 1.00 0.00 WT1 H ATOM 20263 OH2 TIP3 6894 60.103 45.303 15.862 1.00 0.00 WT1 O ATOM 20264 H1 TIP3 6894 59.942 44.701 15.136 1.00 0.00 WT1 H ATOM 20265 H2 TIP3 6894 59.266 45.351 16.324 1.00 0.00 WT1 H ATOM 20266 OH2 TIP3 6895 23.464 22.397 -17.188 1.00 0.00 WT1 O ATOM 20267 H1 TIP3 6895 23.154 22.416 -18.093 1.00 0.00 WT1 H ATOM 20268 H2 TIP3 6895 22.896 23.014 -16.727 1.00 0.00 WT1 H ATOM 20269 OH2 TIP3 6896 36.091 35.464 53.465 1.00 0.00 WT1 O ATOM 20270 H1 TIP3 6896 35.460 35.347 54.175 1.00 0.00 WT1 H ATOM 20271 H2 TIP3 6896 35.776 34.889 52.767 1.00 0.00 WT1 H ATOM 20272 OH2 TIP3 6897 74.688 50.718 30.606 1.00 0.00 WT1 O ATOM 20273 H1 TIP3 6897 75.445 50.329 30.170 1.00 0.00 WT1 H ATOM 20274 H2 TIP3 6897 74.743 51.651 30.397 1.00 0.00 WT1 H ATOM 20275 OH2 TIP3 6898 39.884 41.216 21.872 1.00 0.00 WT1 O ATOM 20276 H1 TIP3 6898 40.420 41.967 22.127 1.00 0.00 WT1 H ATOM 20277 H2 TIP3 6898 40.456 40.459 22.000 1.00 0.00 WT1 H ATOM 20278 OH2 TIP3 6899 39.713 52.099 53.619 1.00 0.00 WT1 O ATOM 20279 H1 TIP3 6899 39.637 52.143 52.666 1.00 0.00 WT1 H ATOM 20280 H2 TIP3 6899 40.222 52.875 53.855 1.00 0.00 WT1 H ATOM 20281 OH2 TIP3 6900 80.001 36.834 26.398 1.00 0.00 WT1 O ATOM 20282 H1 TIP3 6900 80.895 37.085 26.631 1.00 0.00 WT1 H ATOM 20283 H2 TIP3 6900 79.800 37.354 25.620 1.00 0.00 WT1 H ATOM 20284 OH2 TIP3 6902 54.670 49.999 24.879 1.00 0.00 WT1 O ATOM 20285 H1 TIP3 6902 54.492 50.707 24.260 1.00 0.00 WT1 H ATOM 20286 H2 TIP3 6902 55.498 49.623 24.581 1.00 0.00 WT1 H ATOM 20287 OH2 TIP3 6903 87.142 50.940 21.951 1.00 0.00 WT1 O ATOM 20288 H1 TIP3 6903 86.289 50.604 22.228 1.00 0.00 WT1 H ATOM 20289 H2 TIP3 6903 87.070 51.022 21.000 1.00 0.00 WT1 H ATOM 20290 OH2 TIP3 6905 72.204 89.802 56.124 1.00 0.00 WT1 O ATOM 20291 H1 TIP3 6905 72.493 89.325 55.345 1.00 0.00 WT1 H ATOM 20292 H2 TIP3 6905 71.889 90.641 55.788 1.00 0.00 WT1 H ATOM 20293 OH2 TIP3 6906 56.251 23.424 50.316 1.00 0.00 WT1 O ATOM 20294 H1 TIP3 6906 56.150 24.076 51.010 1.00 0.00 WT1 H ATOM 20295 H2 TIP3 6906 55.779 22.656 50.638 1.00 0.00 WT1 H ATOM 20296 OH2 TIP3 6907 25.916 66.660 27.736 1.00 0.00 WT1 O ATOM 20297 H1 TIP3 6907 25.478 66.313 28.513 1.00 0.00 WT1 H ATOM 20298 H2 TIP3 6907 25.478 66.229 27.002 1.00 0.00 WT1 H ATOM 20299 OH2 TIP3 6908 62.963 33.764 9.370 1.00 0.00 WT1 O ATOM 20300 H1 TIP3 6908 62.389 34.105 8.685 1.00 0.00 WT1 H ATOM 20301 H2 TIP3 6908 62.532 34.010 10.189 1.00 0.00 WT1 H ATOM 20302 OH2 TIP3 6909 60.621 87.497 -7.987 1.00 0.00 WT1 O ATOM 20303 H1 TIP3 6909 61.181 86.900 -7.490 1.00 0.00 WT1 H ATOM 20304 H2 TIP3 6909 59.842 87.605 -7.442 1.00 0.00 WT1 H ATOM 20305 OH2 TIP3 6910 78.964 76.747 -17.007 1.00 0.00 WT1 O ATOM 20306 H1 TIP3 6910 79.095 77.561 -16.520 1.00 0.00 WT1 H ATOM 20307 H2 TIP3 6910 79.390 76.901 -17.850 1.00 0.00 WT1 H ATOM 20308 OH2 TIP3 6911 33.835 79.791 -1.217 1.00 0.00 WT1 O ATOM 20309 H1 TIP3 6911 33.845 78.967 -0.730 1.00 0.00 WT1 H ATOM 20310 H2 TIP3 6911 34.716 79.864 -1.583 1.00 0.00 WT1 H ATOM 20311 OH2 TIP3 6912 55.551 10.146 34.351 1.00 0.00 WT1 O ATOM 20312 H1 TIP3 6912 54.968 9.848 33.653 1.00 0.00 WT1 H ATOM 20313 H2 TIP3 6912 56.294 9.544 34.317 1.00 0.00 WT1 H ATOM 20314 OH2 TIP3 6913 76.467 73.984 8.635 1.00 0.00 WT1 O ATOM 20315 H1 TIP3 6913 76.495 73.606 9.514 1.00 0.00 WT1 H ATOM 20316 H2 TIP3 6913 76.115 73.286 8.084 1.00 0.00 WT1 H ATOM 20317 OH2 TIP3 6914 70.506 75.621 39.880 1.00 0.00 WT1 O ATOM 20318 H1 TIP3 6914 70.387 76.205 39.131 1.00 0.00 WT1 H ATOM 20319 H2 TIP3 6914 70.079 74.805 39.619 1.00 0.00 WT1 H ATOM 20320 OH2 TIP3 6915 42.678 62.081 -14.015 1.00 0.00 WT1 O ATOM 20321 H1 TIP3 6915 42.196 62.640 -13.404 1.00 0.00 WT1 H ATOM 20322 H2 TIP3 6915 43.049 61.390 -13.466 1.00 0.00 WT1 H ATOM 20323 OH2 TIP3 6916 46.243 28.222 -12.349 1.00 0.00 WT1 O ATOM 20324 H1 TIP3 6916 46.081 27.877 -11.471 1.00 0.00 WT1 H ATOM 20325 H2 TIP3 6916 47.189 28.360 -12.382 1.00 0.00 WT1 H ATOM 20326 OH2 TIP3 6917 56.180 15.201 42.743 1.00 0.00 WT1 O ATOM 20327 H1 TIP3 6917 55.606 14.547 43.141 1.00 0.00 WT1 H ATOM 20328 H2 TIP3 6917 55.637 15.623 42.077 1.00 0.00 WT1 H ATOM 20329 OH2 TIP3 6919 22.749 32.794 -19.265 1.00 0.00 WT1 O ATOM 20330 H1 TIP3 6919 23.362 33.122 -18.607 1.00 0.00 WT1 H ATOM 20331 H2 TIP3 6919 23.251 32.147 -19.761 1.00 0.00 WT1 H ATOM 20332 OH2 TIP3 6920 67.401 57.477 17.336 1.00 0.00 WT1 O ATOM 20333 H1 TIP3 6920 67.041 58.284 17.705 1.00 0.00 WT1 H ATOM 20334 H2 TIP3 6920 66.901 57.337 16.532 1.00 0.00 WT1 H ATOM 20335 OH2 TIP3 6921 86.250 55.497 17.911 1.00 0.00 WT1 O ATOM 20336 H1 TIP3 6921 85.865 56.312 18.231 1.00 0.00 WT1 H ATOM 20337 H2 TIP3 6921 85.498 54.957 17.667 1.00 0.00 WT1 H ATOM 20338 OH2 TIP3 6922 38.167 40.066 4.136 1.00 0.00 WT1 O ATOM 20339 H1 TIP3 6922 38.421 40.621 4.874 1.00 0.00 WT1 H ATOM 20340 H2 TIP3 6922 38.995 39.830 3.717 1.00 0.00 WT1 H ATOM 20341 OH2 TIP3 6923 31.861 50.402 12.579 1.00 0.00 WT1 O ATOM 20342 H1 TIP3 6923 32.589 50.857 12.156 1.00 0.00 WT1 H ATOM 20343 H2 TIP3 6923 32.230 49.564 12.855 1.00 0.00 WT1 H ATOM 20344 OH2 TIP3 6924 37.107 32.672 20.325 1.00 0.00 WT1 O ATOM 20345 H1 TIP3 6924 37.339 33.519 19.944 1.00 0.00 WT1 H ATOM 20346 H2 TIP3 6924 36.156 32.621 20.236 1.00 0.00 WT1 H ATOM 20347 OH2 TIP3 6925 21.536 65.876 53.674 1.00 0.00 WT1 O ATOM 20348 H1 TIP3 6925 21.617 65.027 53.239 1.00 0.00 WT1 H ATOM 20349 H2 TIP3 6925 21.091 66.432 53.034 1.00 0.00 WT1 H ATOM 20350 OH2 TIP3 6927 85.377 51.028 -5.251 1.00 0.00 WT1 O ATOM 20351 H1 TIP3 6927 86.256 51.329 -5.018 1.00 0.00 WT1 H ATOM 20352 H2 TIP3 6927 85.296 50.174 -4.827 1.00 0.00 WT1 H ATOM 20353 OH2 TIP3 6928 67.278 83.110 41.065 1.00 0.00 WT1 O ATOM 20354 H1 TIP3 6928 66.554 83.705 40.869 1.00 0.00 WT1 H ATOM 20355 H2 TIP3 6928 67.244 82.454 40.369 1.00 0.00 WT1 H ATOM 20356 OH2 TIP3 6929 81.763 42.684 62.712 1.00 0.00 WT1 O ATOM 20357 H1 TIP3 6929 82.016 42.288 61.878 1.00 0.00 WT1 H ATOM 20358 H2 TIP3 6929 80.938 43.133 62.524 1.00 0.00 WT1 H ATOM 20359 OH2 TIP3 6930 85.802 25.958 44.037 1.00 0.00 WT1 O ATOM 20360 H1 TIP3 6930 84.952 26.242 43.700 1.00 0.00 WT1 H ATOM 20361 H2 TIP3 6930 85.694 25.955 44.988 1.00 0.00 WT1 H ATOM 20362 OH2 TIP3 6931 38.261 68.982 38.166 1.00 0.00 WT1 O ATOM 20363 H1 TIP3 6931 38.732 69.815 38.173 1.00 0.00 WT1 H ATOM 20364 H2 TIP3 6931 38.785 68.414 37.601 1.00 0.00 WT1 H ATOM 20365 OH2 TIP3 6932 28.863 20.475 48.430 1.00 0.00 WT1 O ATOM 20366 H1 TIP3 6932 29.444 20.133 49.109 1.00 0.00 WT1 H ATOM 20367 H2 TIP3 6932 28.745 19.743 47.824 1.00 0.00 WT1 H ATOM 20368 OH2 TIP3 6933 33.184 29.012 35.232 1.00 0.00 WT1 O ATOM 20369 H1 TIP3 6933 33.595 28.289 34.759 1.00 0.00 WT1 H ATOM 20370 H2 TIP3 6933 33.528 28.943 36.123 1.00 0.00 WT1 H ATOM 20371 OH2 TIP3 6934 88.415 44.101 40.029 1.00 0.00 WT1 O ATOM 20372 H1 TIP3 6934 89.352 44.254 40.154 1.00 0.00 WT1 H ATOM 20373 H2 TIP3 6934 88.024 44.974 40.053 1.00 0.00 WT1 H ATOM 20374 OH2 TIP3 6935 85.803 25.408 57.106 1.00 0.00 WT1 O ATOM 20375 H1 TIP3 6935 85.001 25.704 56.675 1.00 0.00 WT1 H ATOM 20376 H2 TIP3 6935 85.793 25.843 57.958 1.00 0.00 WT1 H ATOM 20377 OH2 TIP3 6936 46.521 65.024 -14.483 1.00 0.00 WT1 O ATOM 20378 H1 TIP3 6936 46.156 64.935 -15.364 1.00 0.00 WT1 H ATOM 20379 H2 TIP3 6936 45.756 65.109 -13.915 1.00 0.00 WT1 H ATOM 20380 OH2 TIP3 6937 38.958 85.700 44.714 1.00 0.00 WT1 O ATOM 20381 H1 TIP3 6937 38.042 85.877 44.928 1.00 0.00 WT1 H ATOM 20382 H2 TIP3 6937 38.996 85.749 43.759 1.00 0.00 WT1 H ATOM 20383 OH2 TIP3 6938 25.303 73.965 -18.247 1.00 0.00 WT1 O ATOM 20384 H1 TIP3 6938 26.075 74.142 -17.709 1.00 0.00 WT1 H ATOM 20385 H2 TIP3 6938 24.581 73.913 -17.620 1.00 0.00 WT1 H ATOM 20386 OH2 TIP3 6940 79.713 66.875 40.350 1.00 0.00 WT1 O ATOM 20387 H1 TIP3 6940 79.084 66.503 39.732 1.00 0.00 WT1 H ATOM 20388 H2 TIP3 6940 79.924 67.736 39.989 1.00 0.00 WT1 H ATOM 20389 OH2 TIP3 6941 61.957 25.417 34.465 1.00 0.00 WT1 O ATOM 20390 H1 TIP3 6941 62.513 24.845 33.936 1.00 0.00 WT1 H ATOM 20391 H2 TIP3 6941 61.477 25.944 33.825 1.00 0.00 WT1 H ATOM 20392 OH2 TIP3 6943 25.140 50.589 18.144 1.00 0.00 WT1 O ATOM 20393 H1 TIP3 6943 25.429 51.502 18.146 1.00 0.00 WT1 H ATOM 20394 H2 TIP3 6943 25.949 50.081 18.196 1.00 0.00 WT1 H ATOM 20395 OH2 TIP3 6944 36.670 7.280 0.304 1.00 0.00 WT1 O ATOM 20396 H1 TIP3 6944 37.214 7.968 -0.078 1.00 0.00 WT1 H ATOM 20397 H2 TIP3 6944 37.231 6.867 0.961 1.00 0.00 WT1 H ATOM 20398 OH2 TIP3 6945 84.914 9.511 38.226 1.00 0.00 WT1 O ATOM 20399 H1 TIP3 6945 84.791 8.842 37.552 1.00 0.00 WT1 H ATOM 20400 H2 TIP3 6945 84.330 9.246 38.936 1.00 0.00 WT1 H ATOM 20401 OH2 TIP3 6946 79.505 5.945 35.098 1.00 0.00 WT1 O ATOM 20402 H1 TIP3 6946 78.929 5.230 35.371 1.00 0.00 WT1 H ATOM 20403 H2 TIP3 6946 78.976 6.460 34.490 1.00 0.00 WT1 H ATOM 20404 OH2 TIP3 6947 26.303 39.363 -18.546 1.00 0.00 WT1 O ATOM 20405 H1 TIP3 6947 27.101 38.921 -18.835 1.00 0.00 WT1 H ATOM 20406 H2 TIP3 6947 25.804 39.507 -19.351 1.00 0.00 WT1 H ATOM 20407 OH2 TIP3 6949 86.402 60.712 19.127 1.00 0.00 WT1 O ATOM 20408 H1 TIP3 6949 85.619 61.242 18.976 1.00 0.00 WT1 H ATOM 20409 H2 TIP3 6949 86.415 60.565 20.073 1.00 0.00 WT1 H ATOM 20410 OH2 TIP3 6950 76.367 50.572 61.608 1.00 0.00 WT1 O ATOM 20411 H1 TIP3 6950 77.022 50.009 62.019 1.00 0.00 WT1 H ATOM 20412 H2 TIP3 6950 75.974 51.054 62.336 1.00 0.00 WT1 H ATOM 20413 OH2 TIP3 6951 34.294 44.031 47.774 1.00 0.00 WT1 O ATOM 20414 H1 TIP3 6951 34.809 43.643 47.066 1.00 0.00 WT1 H ATOM 20415 H2 TIP3 6951 34.912 44.120 48.500 1.00 0.00 WT1 H ATOM 20416 OH2 TIP3 6952 46.634 63.008 48.481 1.00 0.00 WT1 O ATOM 20417 H1 TIP3 6952 47.035 62.305 47.969 1.00 0.00 WT1 H ATOM 20418 H2 TIP3 6952 46.840 63.806 47.995 1.00 0.00 WT1 H ATOM 20419 OH2 TIP3 6953 60.949 38.272 61.015 1.00 0.00 WT1 O ATOM 20420 H1 TIP3 6953 60.626 37.967 60.167 1.00 0.00 WT1 H ATOM 20421 H2 TIP3 6953 60.911 39.227 60.957 1.00 0.00 WT1 H ATOM 20422 OH2 TIP3 6954 39.480 63.198 1.279 1.00 0.00 WT1 O ATOM 20423 H1 TIP3 6954 39.953 63.973 0.975 1.00 0.00 WT1 H ATOM 20424 H2 TIP3 6954 38.990 63.501 2.044 1.00 0.00 WT1 H ATOM 20425 OH2 TIP3 6955 72.345 85.303 21.699 1.00 0.00 WT1 O ATOM 20426 H1 TIP3 6955 71.709 85.717 22.282 1.00 0.00 WT1 H ATOM 20427 H2 TIP3 6955 71.920 85.304 20.841 1.00 0.00 WT1 H ATOM 20428 OH2 TIP3 6957 42.746 38.957 -14.304 1.00 0.00 WT1 O ATOM 20429 H1 TIP3 6957 43.653 39.094 -14.032 1.00 0.00 WT1 H ATOM 20430 H2 TIP3 6957 42.299 39.769 -14.067 1.00 0.00 WT1 H ATOM 20431 OH2 TIP3 6958 31.661 24.935 15.945 1.00 0.00 WT1 O ATOM 20432 H1 TIP3 6958 31.945 25.798 15.643 1.00 0.00 WT1 H ATOM 20433 H2 TIP3 6958 31.044 25.121 16.654 1.00 0.00 WT1 H ATOM 20434 OH2 TIP3 6959 83.951 32.847 26.043 1.00 0.00 WT1 O ATOM 20435 H1 TIP3 6959 83.978 32.066 25.491 1.00 0.00 WT1 H ATOM 20436 H2 TIP3 6959 83.061 33.184 25.940 1.00 0.00 WT1 H ATOM 20437 OH2 TIP3 6963 73.738 20.463 2.137 1.00 0.00 WT1 O ATOM 20438 H1 TIP3 6963 74.508 20.976 1.890 1.00 0.00 WT1 H ATOM 20439 H2 TIP3 6963 73.593 20.676 3.059 1.00 0.00 WT1 H ATOM 20440 OH2 TIP3 6964 40.260 45.758 55.893 1.00 0.00 WT1 O ATOM 20441 H1 TIP3 6964 39.411 45.798 55.453 1.00 0.00 WT1 H ATOM 20442 H2 TIP3 6964 40.074 45.350 56.738 1.00 0.00 WT1 H ATOM 20443 OH2 TIP3 6965 41.742 58.395 58.971 1.00 0.00 WT1 O ATOM 20444 H1 TIP3 6965 41.183 59.023 58.515 1.00 0.00 WT1 H ATOM 20445 H2 TIP3 6965 41.797 58.728 59.867 1.00 0.00 WT1 H ATOM 20446 OH2 TIP3 6967 29.658 44.615 61.183 1.00 0.00 WT1 O ATOM 20447 H1 TIP3 6967 29.700 45.233 61.913 1.00 0.00 WT1 H ATOM 20448 H2 TIP3 6967 29.514 43.764 61.597 1.00 0.00 WT1 H ATOM 20449 OH2 TIP3 6968 43.762 83.463 30.939 1.00 0.00 WT1 O ATOM 20450 H1 TIP3 6968 43.805 84.297 31.408 1.00 0.00 WT1 H ATOM 20451 H2 TIP3 6968 43.678 83.710 30.018 1.00 0.00 WT1 H ATOM 20452 OH2 TIP3 6969 58.443 41.467 24.086 1.00 0.00 WT1 O ATOM 20453 H1 TIP3 6969 57.979 41.548 23.253 1.00 0.00 WT1 H ATOM 20454 H2 TIP3 6969 57.750 41.372 24.739 1.00 0.00 WT1 H ATOM 20455 OH2 TIP3 6970 29.004 9.981 -19.637 1.00 0.00 WT1 O ATOM 20456 H1 TIP3 6970 28.774 9.066 -19.473 1.00 0.00 WT1 H ATOM 20457 H2 TIP3 6970 29.264 10.320 -18.781 1.00 0.00 WT1 H ATOM 20458 OH2 TIP3 6971 63.283 8.683 1.156 1.00 0.00 WT1 O ATOM 20459 H1 TIP3 6971 62.753 9.443 0.912 1.00 0.00 WT1 H ATOM 20460 H2 TIP3 6971 63.808 8.985 1.897 1.00 0.00 WT1 H ATOM 20461 OH2 TIP3 6972 77.408 95.883 53.683 1.00 0.00 WT1 O ATOM 20462 H1 TIP3 6972 77.087 95.795 54.580 1.00 0.00 WT1 H ATOM 20463 H2 TIP3 6972 76.674 95.602 53.137 1.00 0.00 WT1 H ATOM 20464 OH2 TIP3 6973 69.531 30.072 33.326 1.00 0.00 WT1 O ATOM 20465 H1 TIP3 6973 69.000 30.339 32.576 1.00 0.00 WT1 H ATOM 20466 H2 TIP3 6973 69.392 30.761 33.976 1.00 0.00 WT1 H ATOM 20467 OH2 TIP3 6974 79.343 70.389 -15.582 1.00 0.00 WT1 O ATOM 20468 H1 TIP3 6974 80.243 70.159 -15.811 1.00 0.00 WT1 H ATOM 20469 H2 TIP3 6974 79.221 70.034 -14.702 1.00 0.00 WT1 H ATOM 20470 OH2 TIP3 6975 65.092 33.371 -14.298 1.00 0.00 WT1 O ATOM 20471 H1 TIP3 6975 65.221 32.746 -13.585 1.00 0.00 WT1 H ATOM 20472 H2 TIP3 6975 64.368 33.008 -14.809 1.00 0.00 WT1 H ATOM 20473 OH2 TIP3 6976 85.427 92.739 64.296 1.00 0.00 WT1 O ATOM 20474 H1 TIP3 6976 85.909 93.565 64.338 1.00 0.00 WT1 H ATOM 20475 H2 TIP3 6976 84.713 92.845 64.924 1.00 0.00 WT1 H ATOM 20476 OH2 TIP3 6977 34.179 44.486 -11.587 1.00 0.00 WT1 O ATOM 20477 H1 TIP3 6977 34.977 45.014 -11.633 1.00 0.00 WT1 H ATOM 20478 H2 TIP3 6977 33.478 45.123 -11.450 1.00 0.00 WT1 H ATOM 20479 OH2 TIP3 6978 68.081 1.344 56.330 1.00 0.00 WT1 O ATOM 20480 H1 TIP3 6978 68.952 1.550 56.669 1.00 0.00 WT1 H ATOM 20481 H2 TIP3 6978 67.720 0.718 56.958 1.00 0.00 WT1 H ATOM 20482 OH2 TIP3 6979 63.944 24.790 66.346 1.00 0.00 WT1 O ATOM 20483 H1 TIP3 6979 64.105 23.904 66.671 1.00 0.00 WT1 H ATOM 20484 H2 TIP3 6979 64.285 24.783 65.451 1.00 0.00 WT1 H ATOM 20485 OH2 TIP3 6980 30.901 69.639 1.977 1.00 0.00 WT1 O ATOM 20486 H1 TIP3 6980 31.734 69.990 2.291 1.00 0.00 WT1 H ATOM 20487 H2 TIP3 6980 31.132 69.132 1.199 1.00 0.00 WT1 H ATOM 20488 OH2 TIP3 6983 32.833 48.941 -16.241 1.00 0.00 WT1 O ATOM 20489 H1 TIP3 6983 33.166 49.826 -16.386 1.00 0.00 WT1 H ATOM 20490 H2 TIP3 6983 31.963 49.070 -15.865 1.00 0.00 WT1 H ATOM 20491 OH2 TIP3 6985 28.104 64.608 8.110 1.00 0.00 WT1 O ATOM 20492 H1 TIP3 6985 27.959 64.056 7.341 1.00 0.00 WT1 H ATOM 20493 H2 TIP3 6985 28.509 64.023 8.751 1.00 0.00 WT1 H ATOM 20494 OH2 TIP3 6987 67.611 60.375 43.011 1.00 0.00 WT1 O ATOM 20495 H1 TIP3 6987 67.615 60.970 43.760 1.00 0.00 WT1 H ATOM 20496 H2 TIP3 6987 66.916 60.708 42.443 1.00 0.00 WT1 H ATOM 20497 OH2 TIP3 6988 90.373 77.427 40.400 1.00 0.00 WT1 O ATOM 20498 H1 TIP3 6988 91.242 77.115 40.651 1.00 0.00 WT1 H ATOM 20499 H2 TIP3 6988 90.530 78.287 40.011 1.00 0.00 WT1 H ATOM 20500 OH2 TIP3 6989 25.622 36.200 28.122 1.00 0.00 WT1 O ATOM 20501 H1 TIP3 6989 25.034 36.901 27.841 1.00 0.00 WT1 H ATOM 20502 H2 TIP3 6989 26.093 36.568 28.870 1.00 0.00 WT1 H ATOM 20503 OH2 TIP3 6991 55.891 42.681 22.493 1.00 0.00 WT1 O ATOM 20504 H1 TIP3 6991 56.410 42.470 21.717 1.00 0.00 WT1 H ATOM 20505 H2 TIP3 6991 55.963 43.632 22.577 1.00 0.00 WT1 H ATOM 20506 OH2 TIP3 6992 52.136 82.414 26.886 1.00 0.00 WT1 O ATOM 20507 H1 TIP3 6992 52.169 81.635 27.442 1.00 0.00 WT1 H ATOM 20508 H2 TIP3 6992 52.545 82.141 26.065 1.00 0.00 WT1 H ATOM 20509 OH2 TIP3 6993 81.914 55.783 15.932 1.00 0.00 WT1 O ATOM 20510 H1 TIP3 6993 82.368 55.421 16.693 1.00 0.00 WT1 H ATOM 20511 H2 TIP3 6993 81.656 55.016 15.420 1.00 0.00 WT1 H ATOM 20512 OH2 TIP3 6994 64.914 93.846 16.742 1.00 0.00 WT1 O ATOM 20513 H1 TIP3 6994 65.503 94.544 16.455 1.00 0.00 WT1 H ATOM 20514 H2 TIP3 6994 64.840 93.268 15.982 1.00 0.00 WT1 H ATOM 20515 OH2 TIP3 6995 65.213 30.338 21.341 1.00 0.00 WT1 O ATOM 20516 H1 TIP3 6995 65.897 30.508 20.693 1.00 0.00 WT1 H ATOM 20517 H2 TIP3 6995 64.719 29.601 20.981 1.00 0.00 WT1 H ATOM 20518 OH2 TIP3 6997 88.883 74.263 26.005 1.00 0.00 WT1 O ATOM 20519 H1 TIP3 6997 88.187 74.067 25.377 1.00 0.00 WT1 H ATOM 20520 H2 TIP3 6997 88.783 73.600 26.688 1.00 0.00 WT1 H ATOM 20521 OH2 TIP3 6998 28.422 73.907 46.878 1.00 0.00 WT1 O ATOM 20522 H1 TIP3 6998 29.104 73.375 47.287 1.00 0.00 WT1 H ATOM 20523 H2 TIP3 6998 27.602 73.542 47.209 1.00 0.00 WT1 H ATOM 20524 OH2 TIP3 6999 72.467 1.663 -9.510 1.00 0.00 WT1 O ATOM 20525 H1 TIP3 6999 71.878 1.151 -8.956 1.00 0.00 WT1 H ATOM 20526 H2 TIP3 6999 72.524 1.164 -10.325 1.00 0.00 WT1 H ATOM 20527 OH2 TIP3 7000 74.065 61.934 -10.692 1.00 0.00 WT1 O ATOM 20528 H1 TIP3 7000 73.366 62.129 -10.067 1.00 0.00 WT1 H ATOM 20529 H2 TIP3 7000 73.891 62.512 -11.435 1.00 0.00 WT1 H ATOM 20530 OH2 TIP3 7001 81.773 71.507 13.735 1.00 0.00 WT1 O ATOM 20531 H1 TIP3 7001 82.583 71.031 13.915 1.00 0.00 WT1 H ATOM 20532 H2 TIP3 7001 81.228 70.882 13.257 1.00 0.00 WT1 H ATOM 20533 OH2 TIP3 7002 36.017 52.546 -5.843 1.00 0.00 WT1 O ATOM 20534 H1 TIP3 7002 35.264 52.106 -5.449 1.00 0.00 WT1 H ATOM 20535 H2 TIP3 7002 36.078 53.381 -5.379 1.00 0.00 WT1 H ATOM 20536 OH2 TIP3 7003 69.271 33.146 23.209 1.00 0.00 WT1 O ATOM 20537 H1 TIP3 7003 68.494 33.164 22.649 1.00 0.00 WT1 H ATOM 20538 H2 TIP3 7003 69.016 33.639 23.989 1.00 0.00 WT1 H ATOM 20539 OH2 TIP3 7004 26.389 75.090 -5.786 1.00 0.00 WT1 O ATOM 20540 H1 TIP3 7004 26.465 74.450 -6.494 1.00 0.00 WT1 H ATOM 20541 H2 TIP3 7004 26.289 74.562 -4.995 1.00 0.00 WT1 H ATOM 20542 OH2 TIP3 7005 87.262 50.946 15.439 1.00 0.00 WT1 O ATOM 20543 H1 TIP3 7005 87.841 50.733 14.708 1.00 0.00 WT1 H ATOM 20544 H2 TIP3 7005 86.884 50.106 15.699 1.00 0.00 WT1 H ATOM 20545 OH2 TIP3 7006 64.264 70.895 39.196 1.00 0.00 WT1 O ATOM 20546 H1 TIP3 7006 63.416 71.333 39.120 1.00 0.00 WT1 H ATOM 20547 H2 TIP3 7006 64.530 70.729 38.292 1.00 0.00 WT1 H ATOM 20548 OH2 TIP3 7007 32.567 65.344 -7.557 1.00 0.00 WT1 O ATOM 20549 H1 TIP3 7007 31.952 64.991 -6.914 1.00 0.00 WT1 H ATOM 20550 H2 TIP3 7007 32.287 64.964 -8.390 1.00 0.00 WT1 H ATOM 20551 OH2 TIP3 7008 54.286 66.533 53.759 1.00 0.00 WT1 O ATOM 20552 H1 TIP3 7008 54.382 65.590 53.894 1.00 0.00 WT1 H ATOM 20553 H2 TIP3 7008 53.523 66.618 53.187 1.00 0.00 WT1 H ATOM 20554 OH2 TIP3 7009 21.012 73.426 13.866 1.00 0.00 WT1 O ATOM 20555 H1 TIP3 7009 21.575 73.911 14.470 1.00 0.00 WT1 H ATOM 20556 H2 TIP3 7009 20.848 72.593 14.306 1.00 0.00 WT1 H ATOM 20557 OH2 TIP3 7010 21.362 64.834 31.075 1.00 0.00 WT1 O ATOM 20558 H1 TIP3 7010 21.074 65.725 30.878 1.00 0.00 WT1 H ATOM 20559 H2 TIP3 7010 20.603 64.287 30.875 1.00 0.00 WT1 H ATOM 20560 OH2 TIP3 7011 57.629 76.822 63.572 1.00 0.00 WT1 O ATOM 20561 H1 TIP3 7011 56.731 76.891 63.250 1.00 0.00 WT1 H ATOM 20562 H2 TIP3 7011 58.133 77.408 63.007 1.00 0.00 WT1 H ATOM 20563 OH2 TIP3 7012 70.609 31.391 -17.741 1.00 0.00 WT1 O ATOM 20564 H1 TIP3 7012 69.672 31.546 -17.614 1.00 0.00 WT1 H ATOM 20565 H2 TIP3 7012 70.798 30.617 -17.212 1.00 0.00 WT1 H ATOM 20566 OH2 TIP3 7013 22.985 34.869 0.525 1.00 0.00 WT1 O ATOM 20567 H1 TIP3 7013 23.423 35.037 -0.309 1.00 0.00 WT1 H ATOM 20568 H2 TIP3 7013 23.279 33.994 0.778 1.00 0.00 WT1 H ATOM 20569 OH2 TIP3 7014 79.679 59.304 10.230 1.00 0.00 WT1 O ATOM 20570 H1 TIP3 7014 80.573 59.617 10.092 1.00 0.00 WT1 H ATOM 20571 H2 TIP3 7014 79.768 58.594 10.866 1.00 0.00 WT1 H ATOM 20572 OH2 TIP3 7015 71.993 39.662 24.642 1.00 0.00 WT1 O ATOM 20573 H1 TIP3 7015 72.514 39.335 23.908 1.00 0.00 WT1 H ATOM 20574 H2 TIP3 7015 71.687 40.522 24.355 1.00 0.00 WT1 H ATOM 20575 OH2 TIP3 7016 36.240 26.534 25.327 1.00 0.00 WT1 O ATOM 20576 H1 TIP3 7016 36.779 26.509 26.117 1.00 0.00 WT1 H ATOM 20577 H2 TIP3 7016 36.641 27.214 24.785 1.00 0.00 WT1 H ATOM 20578 OH2 TIP3 7017 73.271 3.884 -2.536 1.00 0.00 WT1 O ATOM 20579 H1 TIP3 7017 72.853 4.162 -3.352 1.00 0.00 WT1 H ATOM 20580 H2 TIP3 7017 73.339 2.932 -2.613 1.00 0.00 WT1 H ATOM 20581 OH2 TIP3 7018 63.587 35.603 19.031 1.00 0.00 WT1 O ATOM 20582 H1 TIP3 7018 62.848 35.888 19.568 1.00 0.00 WT1 H ATOM 20583 H2 TIP3 7018 63.290 35.726 18.129 1.00 0.00 WT1 H ATOM 20584 OH2 TIP3 7019 65.645 69.783 -1.694 1.00 0.00 WT1 O ATOM 20585 H1 TIP3 7019 64.699 69.750 -1.839 1.00 0.00 WT1 H ATOM 20586 H2 TIP3 7019 65.998 69.097 -2.260 1.00 0.00 WT1 H ATOM 20587 OH2 TIP3 7020 54.200 28.041 -0.980 1.00 0.00 WT1 O ATOM 20588 H1 TIP3 7020 53.406 28.390 -1.385 1.00 0.00 WT1 H ATOM 20589 H2 TIP3 7020 54.443 28.695 -0.325 1.00 0.00 WT1 H ATOM 20590 OH2 TIP3 7021 40.065 84.055 -19.917 1.00 0.00 WT1 O ATOM 20591 H1 TIP3 7021 40.153 83.432 -19.196 1.00 0.00 WT1 H ATOM 20592 H2 TIP3 7021 39.791 83.522 -20.664 1.00 0.00 WT1 H ATOM 20593 OH2 TIP3 7023 50.425 3.471 28.487 1.00 0.00 WT1 O ATOM 20594 H1 TIP3 7023 50.550 3.953 29.305 1.00 0.00 WT1 H ATOM 20595 H2 TIP3 7023 50.193 4.142 27.846 1.00 0.00 WT1 H ATOM 20596 OH2 TIP3 7024 42.784 26.158 64.878 1.00 0.00 WT1 O ATOM 20597 H1 TIP3 7024 43.552 26.579 65.264 1.00 0.00 WT1 H ATOM 20598 H2 TIP3 7024 42.976 26.122 63.941 1.00 0.00 WT1 H ATOM 20599 OH2 TIP3 7025 27.283 94.285 35.729 1.00 0.00 WT1 O ATOM 20600 H1 TIP3 7025 26.572 94.835 36.057 1.00 0.00 WT1 H ATOM 20601 H2 TIP3 7025 27.472 94.632 34.857 1.00 0.00 WT1 H ATOM 20602 OH2 TIP3 7026 64.578 29.141 58.412 1.00 0.00 WT1 O ATOM 20603 H1 TIP3 7026 64.438 28.574 57.654 1.00 0.00 WT1 H ATOM 20604 H2 TIP3 7026 63.862 29.775 58.373 1.00 0.00 WT1 H ATOM 20605 OH2 TIP3 7027 81.797 89.660 54.765 1.00 0.00 WT1 O ATOM 20606 H1 TIP3 7027 81.604 89.696 53.828 1.00 0.00 WT1 H ATOM 20607 H2 TIP3 7027 81.696 88.736 54.995 1.00 0.00 WT1 H ATOM 20608 OH2 TIP3 7028 53.981 71.474 49.263 1.00 0.00 WT1 O ATOM 20609 H1 TIP3 7028 54.416 72.036 48.621 1.00 0.00 WT1 H ATOM 20610 H2 TIP3 7028 53.236 71.102 48.791 1.00 0.00 WT1 H ATOM 20611 OH2 TIP3 7029 55.449 72.470 46.946 1.00 0.00 WT1 O ATOM 20612 H1 TIP3 7029 55.831 73.346 46.995 1.00 0.00 WT1 H ATOM 20613 H2 TIP3 7029 55.207 72.365 46.025 1.00 0.00 WT1 H ATOM 20614 OH2 TIP3 7030 64.151 58.023 30.549 1.00 0.00 WT1 O ATOM 20615 H1 TIP3 7030 63.650 58.422 31.260 1.00 0.00 WT1 H ATOM 20616 H2 TIP3 7030 63.498 57.821 29.879 1.00 0.00 WT1 H ATOM 20617 OH2 TIP3 7031 72.642 72.136 54.361 1.00 0.00 WT1 O ATOM 20618 H1 TIP3 7031 71.711 72.040 54.564 1.00 0.00 WT1 H ATOM 20619 H2 TIP3 7031 72.666 72.293 53.417 1.00 0.00 WT1 H ATOM 20620 OH2 TIP3 7033 85.075 84.001 38.082 1.00 0.00 WT1 O ATOM 20621 H1 TIP3 7033 84.318 83.417 38.022 1.00 0.00 WT1 H ATOM 20622 H2 TIP3 7033 85.794 83.502 37.695 1.00 0.00 WT1 H ATOM 20623 OH2 TIP3 7034 51.023 71.483 25.839 1.00 0.00 WT1 O ATOM 20624 H1 TIP3 7034 51.657 72.150 25.577 1.00 0.00 WT1 H ATOM 20625 H2 TIP3 7034 51.275 70.704 25.344 1.00 0.00 WT1 H ATOM 20626 OH2 TIP3 7036 58.262 85.844 10.570 1.00 0.00 WT1 O ATOM 20627 H1 TIP3 7036 59.013 86.153 11.076 1.00 0.00 WT1 H ATOM 20628 H2 TIP3 7036 57.505 86.029 11.127 1.00 0.00 WT1 H ATOM 20629 OH2 TIP3 7037 33.677 50.209 54.621 1.00 0.00 WT1 O ATOM 20630 H1 TIP3 7037 33.897 49.723 55.416 1.00 0.00 WT1 H ATOM 20631 H2 TIP3 7037 32.726 50.135 54.549 1.00 0.00 WT1 H ATOM 20632 OH2 TIP3 7038 73.242 45.834 23.354 1.00 0.00 WT1 O ATOM 20633 H1 TIP3 7038 73.437 45.659 24.275 1.00 0.00 WT1 H ATOM 20634 H2 TIP3 7038 72.343 46.162 23.357 1.00 0.00 WT1 H ATOM 20635 OH2 TIP3 7039 27.254 88.582 28.477 1.00 0.00 WT1 O ATOM 20636 H1 TIP3 7039 26.819 88.859 29.283 1.00 0.00 WT1 H ATOM 20637 H2 TIP3 7039 27.384 87.640 28.586 1.00 0.00 WT1 H ATOM 20638 OH2 TIP3 7040 66.812 92.885 -12.365 1.00 0.00 WT1 O ATOM 20639 H1 TIP3 7040 65.936 93.073 -12.027 1.00 0.00 WT1 H ATOM 20640 H2 TIP3 7040 66.982 91.981 -12.099 1.00 0.00 WT1 H ATOM 20641 OH2 TIP3 7041 72.219 40.572 -19.617 1.00 0.00 WT1 O ATOM 20642 H1 TIP3 7041 71.835 40.989 -18.845 1.00 0.00 WT1 H ATOM 20643 H2 TIP3 7041 73.160 40.717 -19.525 1.00 0.00 WT1 H ATOM 20644 OH2 TIP3 7042 33.894 89.663 47.428 1.00 0.00 WT1 O ATOM 20645 H1 TIP3 7042 34.402 88.852 47.472 1.00 0.00 WT1 H ATOM 20646 H2 TIP3 7042 34.463 90.277 46.965 1.00 0.00 WT1 H ATOM 20647 OH2 TIP3 7043 38.787 14.368 2.671 1.00 0.00 WT1 O ATOM 20648 H1 TIP3 7043 39.633 14.264 2.235 1.00 0.00 WT1 H ATOM 20649 H2 TIP3 7043 38.480 13.473 2.815 1.00 0.00 WT1 H ATOM 20650 OH2 TIP3 7044 50.107 53.646 -9.019 1.00 0.00 WT1 O ATOM 20651 H1 TIP3 7044 49.177 53.868 -8.989 1.00 0.00 WT1 H ATOM 20652 H2 TIP3 7044 50.428 53.836 -8.138 1.00 0.00 WT1 H ATOM 20653 OH2 TIP3 7045 63.707 48.714 48.923 1.00 0.00 WT1 O ATOM 20654 H1 TIP3 7045 64.553 48.677 48.476 1.00 0.00 WT1 H ATOM 20655 H2 TIP3 7045 63.117 49.115 48.285 1.00 0.00 WT1 H ATOM 20656 OH2 TIP3 7046 45.288 82.148 64.787 1.00 0.00 WT1 O ATOM 20657 H1 TIP3 7046 45.687 81.855 63.967 1.00 0.00 WT1 H ATOM 20658 H2 TIP3 7046 44.359 82.247 64.580 1.00 0.00 WT1 H ATOM 20659 OH2 TIP3 7047 53.847 86.317 30.014 1.00 0.00 WT1 O ATOM 20660 H1 TIP3 7047 53.430 86.798 30.729 1.00 0.00 WT1 H ATOM 20661 H2 TIP3 7047 53.728 85.395 30.244 1.00 0.00 WT1 H ATOM 20662 OH2 TIP3 7048 39.339 68.108 60.754 1.00 0.00 WT1 O ATOM 20663 H1 TIP3 7048 38.962 68.909 60.388 1.00 0.00 WT1 H ATOM 20664 H2 TIP3 7048 38.978 68.056 61.639 1.00 0.00 WT1 H ATOM 20665 OH2 TIP3 7049 71.157 77.373 -7.766 1.00 0.00 WT1 O ATOM 20666 H1 TIP3 7049 71.428 77.071 -6.899 1.00 0.00 WT1 H ATOM 20667 H2 TIP3 7049 71.373 78.305 -7.775 1.00 0.00 WT1 H ATOM 20668 OH2 TIP3 7050 87.859 4.802 4.195 1.00 0.00 WT1 O ATOM 20669 H1 TIP3 7050 87.914 4.864 5.148 1.00 0.00 WT1 H ATOM 20670 H2 TIP3 7050 88.349 5.561 3.877 1.00 0.00 WT1 H ATOM 20671 OH2 TIP3 7051 56.103 95.250 46.821 1.00 0.00 WT1 O ATOM 20672 H1 TIP3 7051 55.529 95.877 46.381 1.00 0.00 WT1 H ATOM 20673 H2 TIP3 7051 56.772 95.039 46.169 1.00 0.00 WT1 H ATOM 20674 OH2 TIP3 7053 46.126 38.965 65.546 1.00 0.00 WT1 O ATOM 20675 H1 TIP3 7053 46.204 39.099 64.602 1.00 0.00 WT1 H ATOM 20676 H2 TIP3 7053 45.965 39.839 65.901 1.00 0.00 WT1 H ATOM 20677 OH2 TIP3 7054 77.547 72.275 51.322 1.00 0.00 WT1 O ATOM 20678 H1 TIP3 7054 77.026 72.169 52.118 1.00 0.00 WT1 H ATOM 20679 H2 TIP3 7054 77.622 71.390 50.965 1.00 0.00 WT1 H ATOM 20680 OH2 TIP3 7055 40.821 40.148 11.744 1.00 0.00 WT1 O ATOM 20681 H1 TIP3 7055 41.027 41.083 11.750 1.00 0.00 WT1 H ATOM 20682 H2 TIP3 7055 41.673 39.715 11.705 1.00 0.00 WT1 H ATOM 20683 OH2 TIP3 7056 27.302 21.241 53.395 1.00 0.00 WT1 O ATOM 20684 H1 TIP3 7056 27.997 21.896 53.333 1.00 0.00 WT1 H ATOM 20685 H2 TIP3 7056 27.518 20.733 54.177 1.00 0.00 WT1 H ATOM 20686 OH2 TIP3 7057 47.977 79.588 20.659 1.00 0.00 WT1 O ATOM 20687 H1 TIP3 7057 48.244 78.672 20.730 1.00 0.00 WT1 H ATOM 20688 H2 TIP3 7057 48.711 80.081 21.026 1.00 0.00 WT1 H ATOM 20689 OH2 TIP3 7058 72.163 38.129 29.825 1.00 0.00 WT1 O ATOM 20690 H1 TIP3 7058 71.934 37.675 29.014 1.00 0.00 WT1 H ATOM 20691 H2 TIP3 7058 72.907 37.636 30.173 1.00 0.00 WT1 H ATOM 20692 OH2 TIP3 7059 83.200 81.473 -11.030 1.00 0.00 WT1 O ATOM 20693 H1 TIP3 7059 84.149 81.444 -10.906 1.00 0.00 WT1 H ATOM 20694 H2 TIP3 7059 82.990 82.406 -11.059 1.00 0.00 WT1 H ATOM 20695 OH2 TIP3 7060 77.954 70.750 33.336 1.00 0.00 WT1 O ATOM 20696 H1 TIP3 7060 78.642 71.108 32.775 1.00 0.00 WT1 H ATOM 20697 H2 TIP3 7060 77.474 71.517 33.648 1.00 0.00 WT1 H ATOM 20698 OH2 TIP3 7061 39.060 26.446 -5.009 1.00 0.00 WT1 O ATOM 20699 H1 TIP3 7061 39.352 26.521 -4.101 1.00 0.00 WT1 H ATOM 20700 H2 TIP3 7061 39.010 27.350 -5.321 1.00 0.00 WT1 H ATOM 20701 OH2 TIP3 7062 50.157 88.300 -7.834 1.00 0.00 WT1 O ATOM 20702 H1 TIP3 7062 49.657 88.271 -8.650 1.00 0.00 WT1 H ATOM 20703 H2 TIP3 7062 50.378 87.386 -7.656 1.00 0.00 WT1 H ATOM 20704 OH2 TIP3 7063 30.708 19.398 59.480 1.00 0.00 WT1 O ATOM 20705 H1 TIP3 7063 30.352 20.286 59.447 1.00 0.00 WT1 H ATOM 20706 H2 TIP3 7063 30.527 19.034 58.613 1.00 0.00 WT1 H ATOM 20707 OH2 TIP3 7064 68.776 30.016 26.171 1.00 0.00 WT1 O ATOM 20708 H1 TIP3 7064 68.972 29.333 25.530 1.00 0.00 WT1 H ATOM 20709 H2 TIP3 7064 67.978 29.715 26.606 1.00 0.00 WT1 H ATOM 20710 OH2 TIP3 7065 28.922 15.535 34.766 1.00 0.00 WT1 O ATOM 20711 H1 TIP3 7065 29.447 15.002 35.364 1.00 0.00 WT1 H ATOM 20712 H2 TIP3 7065 28.764 16.348 35.246 1.00 0.00 WT1 H ATOM 20713 OH2 TIP3 7066 70.767 65.856 52.551 1.00 0.00 WT1 O ATOM 20714 H1 TIP3 7066 70.106 65.209 52.302 1.00 0.00 WT1 H ATOM 20715 H2 TIP3 7066 71.561 65.574 52.097 1.00 0.00 WT1 H ATOM 20716 OH2 TIP3 7067 81.963 39.005 18.977 1.00 0.00 WT1 O ATOM 20717 H1 TIP3 7067 81.272 39.587 18.660 1.00 0.00 WT1 H ATOM 20718 H2 TIP3 7067 81.541 38.149 19.049 1.00 0.00 WT1 H ATOM 20719 OH2 TIP3 7068 66.617 49.870 25.006 1.00 0.00 WT1 O ATOM 20720 H1 TIP3 7068 65.850 50.348 25.321 1.00 0.00 WT1 H ATOM 20721 H2 TIP3 7068 66.474 49.780 24.064 1.00 0.00 WT1 H ATOM 20722 OH2 TIP3 7069 87.441 83.654 28.070 1.00 0.00 WT1 O ATOM 20723 H1 TIP3 7069 87.705 83.732 27.153 1.00 0.00 WT1 H ATOM 20724 H2 TIP3 7069 87.100 84.519 28.297 1.00 0.00 WT1 H ATOM 20725 OH2 TIP3 7071 88.456 27.837 66.585 1.00 0.00 WT1 O ATOM 20726 H1 TIP3 7071 88.405 27.673 67.527 1.00 0.00 WT1 H ATOM 20727 H2 TIP3 7071 88.925 28.667 66.510 1.00 0.00 WT1 H ATOM 20728 OH2 TIP3 7072 38.434 52.297 -7.108 1.00 0.00 WT1 O ATOM 20729 H1 TIP3 7072 38.981 53.048 -6.879 1.00 0.00 WT1 H ATOM 20730 H2 TIP3 7072 37.572 52.510 -6.752 1.00 0.00 WT1 H ATOM 20731 OH2 TIP3 7073 60.729 0.419 -12.494 1.00 0.00 WT1 O ATOM 20732 H1 TIP3 7073 61.218 -0.364 -12.242 1.00 0.00 WT1 H ATOM 20733 H2 TIP3 7073 59.891 0.086 -12.813 1.00 0.00 WT1 H ATOM 20734 OH2 TIP3 7074 75.626 43.604 8.209 1.00 0.00 WT1 O ATOM 20735 H1 TIP3 7074 74.841 43.393 8.716 1.00 0.00 WT1 H ATOM 20736 H2 TIP3 7074 75.597 44.556 8.107 1.00 0.00 WT1 H ATOM 20737 OH2 TIP3 7075 52.420 60.464 -6.965 1.00 0.00 WT1 O ATOM 20738 H1 TIP3 7075 51.726 60.978 -6.552 1.00 0.00 WT1 H ATOM 20739 H2 TIP3 7075 53.229 60.918 -6.729 1.00 0.00 WT1 H ATOM 20740 OH2 TIP3 7076 81.739 14.845 -13.784 1.00 0.00 WT1 O ATOM 20741 H1 TIP3 7076 81.044 15.462 -14.012 1.00 0.00 WT1 H ATOM 20742 H2 TIP3 7076 81.287 14.130 -13.335 1.00 0.00 WT1 H ATOM 20743 OH2 TIP3 7077 80.861 64.894 -19.701 1.00 0.00 WT1 O ATOM 20744 H1 TIP3 7077 81.031 64.885 -20.643 1.00 0.00 WT1 H ATOM 20745 H2 TIP3 7077 80.951 63.980 -19.432 1.00 0.00 WT1 H ATOM 20746 OH2 TIP3 7078 90.443 58.701 19.374 1.00 0.00 WT1 O ATOM 20747 H1 TIP3 7078 90.014 58.355 20.157 1.00 0.00 WT1 H ATOM 20748 H2 TIP3 7078 90.867 57.941 18.977 1.00 0.00 WT1 H ATOM 20749 OH2 TIP3 7079 85.794 16.059 -6.097 1.00 0.00 WT1 O ATOM 20750 H1 TIP3 7079 85.593 16.984 -5.959 1.00 0.00 WT1 H ATOM 20751 H2 TIP3 7079 84.964 15.607 -5.946 1.00 0.00 WT1 H ATOM 20752 OH2 TIP3 7080 76.731 50.467 16.856 1.00 0.00 WT1 O ATOM 20753 H1 TIP3 7080 75.804 50.474 16.619 1.00 0.00 WT1 H ATOM 20754 H2 TIP3 7080 76.736 50.331 17.803 1.00 0.00 WT1 H ATOM 20755 OH2 TIP3 7081 44.734 71.213 -10.036 1.00 0.00 WT1 O ATOM 20756 H1 TIP3 7081 44.264 70.383 -10.117 1.00 0.00 WT1 H ATOM 20757 H2 TIP3 7081 44.740 71.394 -9.096 1.00 0.00 WT1 H ATOM 20758 OH2 TIP3 7082 31.797 19.659 5.256 1.00 0.00 WT1 O ATOM 20759 H1 TIP3 7082 31.439 20.219 5.945 1.00 0.00 WT1 H ATOM 20760 H2 TIP3 7082 32.479 19.148 5.693 1.00 0.00 WT1 H ATOM 20761 OH2 TIP3 7083 64.742 6.938 13.671 1.00 0.00 WT1 O ATOM 20762 H1 TIP3 7083 63.933 6.756 13.192 1.00 0.00 WT1 H ATOM 20763 H2 TIP3 7083 64.450 7.298 14.508 1.00 0.00 WT1 H ATOM 20764 OH2 TIP3 7085 74.013 41.187 -0.086 1.00 0.00 WT1 O ATOM 20765 H1 TIP3 7085 74.560 40.648 0.485 1.00 0.00 WT1 H ATOM 20766 H2 TIP3 7085 74.217 40.884 -0.971 1.00 0.00 WT1 H ATOM 20767 OH2 TIP3 7086 26.146 50.558 7.334 1.00 0.00 WT1 O ATOM 20768 H1 TIP3 7086 26.658 51.211 7.812 1.00 0.00 WT1 H ATOM 20769 H2 TIP3 7086 25.604 51.070 6.734 1.00 0.00 WT1 H ATOM 20770 OH2 TIP3 7088 55.122 17.519 40.770 1.00 0.00 WT1 O ATOM 20771 H1 TIP3 7088 55.499 18.394 40.677 1.00 0.00 WT1 H ATOM 20772 H2 TIP3 7088 54.257 17.586 40.365 1.00 0.00 WT1 H ATOM 20773 OH2 TIP3 7089 64.084 32.304 2.711 1.00 0.00 WT1 O ATOM 20774 H1 TIP3 7089 63.436 31.678 3.035 1.00 0.00 WT1 H ATOM 20775 H2 TIP3 7089 63.585 33.105 2.552 1.00 0.00 WT1 H ATOM 20776 OH2 TIP3 7090 84.777 83.906 58.488 1.00 0.00 WT1 O ATOM 20777 H1 TIP3 7090 85.211 84.500 57.876 1.00 0.00 WT1 H ATOM 20778 H2 TIP3 7090 84.022 84.400 58.807 1.00 0.00 WT1 H ATOM 20779 OH2 TIP3 7091 60.174 13.879 33.715 1.00 0.00 WT1 O ATOM 20780 H1 TIP3 7091 59.995 13.005 33.367 1.00 0.00 WT1 H ATOM 20781 H2 TIP3 7091 59.923 14.475 33.010 1.00 0.00 WT1 H ATOM 20782 OH2 TIP3 7092 70.740 49.105 27.607 1.00 0.00 WT1 O ATOM 20783 H1 TIP3 7092 70.148 48.738 28.263 1.00 0.00 WT1 H ATOM 20784 H2 TIP3 7092 70.169 49.357 26.882 1.00 0.00 WT1 H ATOM 20785 OH2 TIP3 7093 61.479 89.895 8.586 1.00 0.00 WT1 O ATOM 20786 H1 TIP3 7093 61.320 90.318 9.430 1.00 0.00 WT1 H ATOM 20787 H2 TIP3 7093 60.815 89.207 8.534 1.00 0.00 WT1 H ATOM 20788 OH2 TIP3 7094 22.519 10.494 37.509 1.00 0.00 WT1 O ATOM 20789 H1 TIP3 7094 23.367 10.900 37.331 1.00 0.00 WT1 H ATOM 20790 H2 TIP3 7094 22.174 10.270 36.644 1.00 0.00 WT1 H ATOM 20791 OH2 TIP3 7095 47.567 2.218 65.268 1.00 0.00 WT1 O ATOM 20792 H1 TIP3 7095 48.056 2.832 65.816 1.00 0.00 WT1 H ATOM 20793 H2 TIP3 7095 46.845 1.923 65.823 1.00 0.00 WT1 H ATOM 20794 OH2 TIP3 7096 66.092 78.268 6.288 1.00 0.00 WT1 O ATOM 20795 H1 TIP3 7096 65.190 77.971 6.169 1.00 0.00 WT1 H ATOM 20796 H2 TIP3 7096 66.454 77.679 6.949 1.00 0.00 WT1 H ATOM 20797 OH2 TIP3 7097 80.240 40.457 63.972 1.00 0.00 WT1 O ATOM 20798 H1 TIP3 7097 79.643 40.309 63.238 1.00 0.00 WT1 H ATOM 20799 H2 TIP3 7097 80.566 41.347 63.840 1.00 0.00 WT1 H ATOM 20800 OH2 TIP3 7098 45.893 42.215 47.070 1.00 0.00 WT1 O ATOM 20801 H1 TIP3 7098 46.001 42.860 46.371 1.00 0.00 WT1 H ATOM 20802 H2 TIP3 7098 46.386 42.576 47.807 1.00 0.00 WT1 H ATOM 20803 OH2 TIP3 7099 46.643 4.479 -15.176 1.00 0.00 WT1 O ATOM 20804 H1 TIP3 7099 45.973 4.919 -14.652 1.00 0.00 WT1 H ATOM 20805 H2 TIP3 7099 47.179 5.190 -15.526 1.00 0.00 WT1 H ATOM 20806 OH2 TIP3 7101 58.723 75.573 -5.950 1.00 0.00 WT1 O ATOM 20807 H1 TIP3 7101 58.975 76.484 -6.101 1.00 0.00 WT1 H ATOM 20808 H2 TIP3 7101 59.549 75.089 -5.968 1.00 0.00 WT1 H ATOM 20809 OH2 TIP3 7102 63.606 19.237 15.227 1.00 0.00 WT1 O ATOM 20810 H1 TIP3 7102 63.568 18.780 14.387 1.00 0.00 WT1 H ATOM 20811 H2 TIP3 7102 63.906 20.119 15.008 1.00 0.00 WT1 H ATOM 20812 OH2 TIP3 7103 64.173 92.111 55.250 1.00 0.00 WT1 O ATOM 20813 H1 TIP3 7103 64.850 92.382 55.870 1.00 0.00 WT1 H ATOM 20814 H2 TIP3 7103 63.431 92.685 55.439 1.00 0.00 WT1 H ATOM 20815 OH2 TIP3 7104 86.872 93.405 2.685 1.00 0.00 WT1 O ATOM 20816 H1 TIP3 7104 86.171 92.957 2.211 1.00 0.00 WT1 H ATOM 20817 H2 TIP3 7104 86.472 93.666 3.515 1.00 0.00 WT1 H ATOM 20818 OH2 TIP3 7105 62.265 20.518 27.226 1.00 0.00 WT1 O ATOM 20819 H1 TIP3 7105 62.394 20.970 28.060 1.00 0.00 WT1 H ATOM 20820 H2 TIP3 7105 61.453 20.885 26.877 1.00 0.00 WT1 H ATOM 20821 OH2 TIP3 7106 82.197 28.754 -9.647 1.00 0.00 WT1 O ATOM 20822 H1 TIP3 7106 82.603 27.911 -9.849 1.00 0.00 WT1 H ATOM 20823 H2 TIP3 7106 82.769 29.401 -10.060 1.00 0.00 WT1 H ATOM 20824 OH2 TIP3 7107 86.287 89.227 -3.561 1.00 0.00 WT1 O ATOM 20825 H1 TIP3 7107 86.689 89.246 -2.692 1.00 0.00 WT1 H ATOM 20826 H2 TIP3 7107 86.937 88.797 -4.116 1.00 0.00 WT1 H ATOM 20827 OH2 TIP3 7108 89.894 89.534 -14.390 1.00 0.00 WT1 O ATOM 20828 H1 TIP3 7108 90.623 90.065 -14.069 1.00 0.00 WT1 H ATOM 20829 H2 TIP3 7108 89.861 88.786 -13.794 1.00 0.00 WT1 H ATOM 20830 OH2 TIP3 7109 46.238 0.652 7.869 1.00 0.00 WT1 O ATOM 20831 H1 TIP3 7109 45.499 0.968 8.389 1.00 0.00 WT1 H ATOM 20832 H2 TIP3 7109 47.010 0.876 8.387 1.00 0.00 WT1 H ATOM 20833 OH2 TIP3 7110 69.371 81.043 33.470 1.00 0.00 WT1 O ATOM 20834 H1 TIP3 7110 69.149 80.726 32.595 1.00 0.00 WT1 H ATOM 20835 H2 TIP3 7110 68.804 81.803 33.601 1.00 0.00 WT1 H ATOM 20836 OH2 TIP3 7111 53.497 4.578 61.414 1.00 0.00 WT1 O ATOM 20837 H1 TIP3 7111 52.711 5.070 61.177 1.00 0.00 WT1 H ATOM 20838 H2 TIP3 7111 54.215 5.200 61.292 1.00 0.00 WT1 H ATOM 20839 OH2 TIP3 7113 27.346 4.886 63.092 1.00 0.00 WT1 O ATOM 20840 H1 TIP3 7113 26.802 4.623 62.349 1.00 0.00 WT1 H ATOM 20841 H2 TIP3 7113 27.783 5.685 62.798 1.00 0.00 WT1 H ATOM 20842 OH2 TIP3 7114 80.929 64.736 -16.193 1.00 0.00 WT1 O ATOM 20843 H1 TIP3 7114 80.615 65.160 -16.992 1.00 0.00 WT1 H ATOM 20844 H2 TIP3 7114 81.578 65.344 -15.838 1.00 0.00 WT1 H ATOM 20845 OH2 TIP3 7115 20.158 34.093 -19.488 1.00 0.00 WT1 O ATOM 20846 H1 TIP3 7115 20.986 33.630 -19.362 1.00 0.00 WT1 H ATOM 20847 H2 TIP3 7115 20.387 34.857 -20.016 1.00 0.00 WT1 H ATOM 20848 OH2 TIP3 7116 90.342 86.161 39.431 1.00 0.00 WT1 O ATOM 20849 H1 TIP3 7116 90.003 86.890 38.912 1.00 0.00 WT1 H ATOM 20850 H2 TIP3 7116 89.815 86.169 40.230 1.00 0.00 WT1 H ATOM 20851 OH2 TIP3 7117 37.819 10.250 55.914 1.00 0.00 WT1 O ATOM 20852 H1 TIP3 7117 36.955 10.474 56.261 1.00 0.00 WT1 H ATOM 20853 H2 TIP3 7117 38.160 9.595 56.523 1.00 0.00 WT1 H ATOM 20854 OH2 TIP3 7118 32.484 80.053 17.026 1.00 0.00 WT1 O ATOM 20855 H1 TIP3 7118 31.543 80.154 17.170 1.00 0.00 WT1 H ATOM 20856 H2 TIP3 7118 32.549 79.505 16.244 1.00 0.00 WT1 H ATOM 20857 OH2 TIP3 7119 60.238 25.114 41.110 1.00 0.00 WT1 O ATOM 20858 H1 TIP3 7119 60.777 25.485 41.810 1.00 0.00 WT1 H ATOM 20859 H2 TIP3 7119 59.824 25.872 40.699 1.00 0.00 WT1 H ATOM 20860 OH2 TIP3 7120 24.119 50.844 -15.211 1.00 0.00 WT1 O ATOM 20861 H1 TIP3 7120 23.359 50.709 -15.777 1.00 0.00 WT1 H ATOM 20862 H2 TIP3 7120 23.824 50.568 -14.343 1.00 0.00 WT1 H ATOM 20863 OH2 TIP3 7121 69.836 21.292 25.655 1.00 0.00 WT1 O ATOM 20864 H1 TIP3 7121 69.188 20.783 25.168 1.00 0.00 WT1 H ATOM 20865 H2 TIP3 7121 70.046 22.027 25.079 1.00 0.00 WT1 H ATOM 20866 OH2 TIP3 7122 46.100 39.725 48.262 1.00 0.00 WT1 O ATOM 20867 H1 TIP3 7122 45.576 40.501 48.061 1.00 0.00 WT1 H ATOM 20868 H2 TIP3 7122 46.921 40.074 48.610 1.00 0.00 WT1 H ATOM 20869 OH2 TIP3 7123 48.849 13.337 11.023 1.00 0.00 WT1 O ATOM 20870 H1 TIP3 7123 47.908 13.281 11.189 1.00 0.00 WT1 H ATOM 20871 H2 TIP3 7123 49.145 14.071 11.561 1.00 0.00 WT1 H ATOM 20872 OH2 TIP3 7124 41.917 11.545 -2.219 1.00 0.00 WT1 O ATOM 20873 H1 TIP3 7124 41.550 12.187 -2.827 1.00 0.00 WT1 H ATOM 20874 H2 TIP3 7124 41.274 11.489 -1.512 1.00 0.00 WT1 H ATOM 20875 OH2 TIP3 7125 51.066 9.190 22.345 1.00 0.00 WT1 O ATOM 20876 H1 TIP3 7125 50.565 9.628 21.657 1.00 0.00 WT1 H ATOM 20877 H2 TIP3 7125 50.761 8.283 22.324 1.00 0.00 WT1 H ATOM 20878 OH2 TIP3 7126 42.278 18.450 37.967 1.00 0.00 WT1 O ATOM 20879 H1 TIP3 7126 42.692 17.722 37.503 1.00 0.00 WT1 H ATOM 20880 H2 TIP3 7126 41.557 18.718 37.397 1.00 0.00 WT1 H ATOM 20881 OH2 TIP3 7127 28.730 53.490 -15.693 1.00 0.00 WT1 O ATOM 20882 H1 TIP3 7127 29.453 53.748 -16.265 1.00 0.00 WT1 H ATOM 20883 H2 TIP3 7127 28.271 54.308 -15.502 1.00 0.00 WT1 H ATOM 20884 OH2 TIP3 7128 28.129 81.709 30.405 1.00 0.00 WT1 O ATOM 20885 H1 TIP3 7128 27.632 82.166 31.085 1.00 0.00 WT1 H ATOM 20886 H2 TIP3 7128 28.562 80.991 30.867 1.00 0.00 WT1 H ATOM 20887 OH2 TIP3 7129 54.087 1.775 61.565 1.00 0.00 WT1 O ATOM 20888 H1 TIP3 7129 53.884 2.710 61.522 1.00 0.00 WT1 H ATOM 20889 H2 TIP3 7129 54.818 1.716 62.180 1.00 0.00 WT1 H ATOM 20890 OH2 TIP3 7130 66.140 53.638 7.919 1.00 0.00 WT1 O ATOM 20891 H1 TIP3 7130 66.958 54.117 8.049 1.00 0.00 WT1 H ATOM 20892 H2 TIP3 7130 65.734 53.618 8.785 1.00 0.00 WT1 H ATOM 20893 OH2 TIP3 7131 45.431 79.175 21.714 1.00 0.00 WT1 O ATOM 20894 H1 TIP3 7131 46.225 79.554 21.339 1.00 0.00 WT1 H ATOM 20895 H2 TIP3 7131 45.634 79.062 22.643 1.00 0.00 WT1 H ATOM 20896 OH2 TIP3 7132 80.494 36.395 2.913 1.00 0.00 WT1 O ATOM 20897 H1 TIP3 7132 80.436 37.094 3.564 1.00 0.00 WT1 H ATOM 20898 H2 TIP3 7132 80.111 35.632 3.346 1.00 0.00 WT1 H ATOM 20899 OH2 TIP3 7133 73.799 4.686 37.779 1.00 0.00 WT1 O ATOM 20900 H1 TIP3 7133 72.844 4.643 37.832 1.00 0.00 WT1 H ATOM 20901 H2 TIP3 7133 74.103 4.263 38.581 1.00 0.00 WT1 H ATOM 20902 OH2 TIP3 7134 22.295 73.500 64.083 1.00 0.00 WT1 O ATOM 20903 H1 TIP3 7134 22.627 73.465 64.980 1.00 0.00 WT1 H ATOM 20904 H2 TIP3 7134 22.757 74.237 63.684 1.00 0.00 WT1 H ATOM 20905 OH2 TIP3 7135 65.463 45.183 66.142 1.00 0.00 WT1 O ATOM 20906 H1 TIP3 7135 65.547 46.127 66.005 1.00 0.00 WT1 H ATOM 20907 H2 TIP3 7135 65.256 45.093 67.073 1.00 0.00 WT1 H ATOM 20908 OH2 TIP3 7136 74.805 82.933 33.609 1.00 0.00 WT1 O ATOM 20909 H1 TIP3 7136 74.859 82.694 34.534 1.00 0.00 WT1 H ATOM 20910 H2 TIP3 7136 75.530 83.544 33.477 1.00 0.00 WT1 H ATOM 20911 OH2 TIP3 7137 64.711 13.532 66.929 1.00 0.00 WT1 O ATOM 20912 H1 TIP3 7137 64.030 14.175 66.734 1.00 0.00 WT1 H ATOM 20913 H2 TIP3 7137 65.416 13.733 66.313 1.00 0.00 WT1 H ATOM 20914 OH2 TIP3 7138 21.573 71.742 -10.674 1.00 0.00 WT1 O ATOM 20915 H1 TIP3 7138 22.069 71.092 -10.176 1.00 0.00 WT1 H ATOM 20916 H2 TIP3 7138 21.222 72.336 -10.010 1.00 0.00 WT1 H ATOM 20917 OH2 TIP3 7139 37.483 72.520 26.155 1.00 0.00 WT1 O ATOM 20918 H1 TIP3 7139 37.135 71.636 26.039 1.00 0.00 WT1 H ATOM 20919 H2 TIP3 7139 38.304 72.395 26.630 1.00 0.00 WT1 H ATOM 20920 OH2 TIP3 7140 82.816 89.641 34.632 1.00 0.00 WT1 O ATOM 20921 H1 TIP3 7140 83.122 89.386 33.762 1.00 0.00 WT1 H ATOM 20922 H2 TIP3 7140 82.790 88.822 35.127 1.00 0.00 WT1 H ATOM 20923 OH2 TIP3 7141 48.942 38.263 55.422 1.00 0.00 WT1 O ATOM 20924 H1 TIP3 7141 48.884 39.082 54.929 1.00 0.00 WT1 H ATOM 20925 H2 TIP3 7141 49.862 38.201 55.678 1.00 0.00 WT1 H ATOM 20926 OH2 TIP3 7142 22.487 81.180 57.165 1.00 0.00 WT1 O ATOM 20927 H1 TIP3 7142 21.769 80.725 56.726 1.00 0.00 WT1 H ATOM 20928 H2 TIP3 7142 23.211 80.553 57.155 1.00 0.00 WT1 H ATOM 20929 OH2 TIP3 7143 29.005 3.130 58.777 1.00 0.00 WT1 O ATOM 20930 H1 TIP3 7143 29.587 3.565 59.401 1.00 0.00 WT1 H ATOM 20931 H2 TIP3 7143 28.987 3.714 58.019 1.00 0.00 WT1 H ATOM 20932 OH2 TIP3 7144 89.229 5.405 6.517 1.00 0.00 WT1 O ATOM 20933 H1 TIP3 7144 89.456 6.322 6.369 1.00 0.00 WT1 H ATOM 20934 H2 TIP3 7144 89.538 5.221 7.404 1.00 0.00 WT1 H ATOM 20935 OH2 TIP3 7145 73.867 73.401 64.838 1.00 0.00 WT1 O ATOM 20936 H1 TIP3 7145 73.261 73.479 64.101 1.00 0.00 WT1 H ATOM 20937 H2 TIP3 7145 74.728 73.307 64.431 1.00 0.00 WT1 H ATOM 20938 OH2 TIP3 7146 56.750 72.450 34.015 1.00 0.00 WT1 O ATOM 20939 H1 TIP3 7146 56.043 73.052 34.248 1.00 0.00 WT1 H ATOM 20940 H2 TIP3 7146 56.318 71.604 33.901 1.00 0.00 WT1 H ATOM 20941 OH2 TIP3 7147 70.876 48.204 -8.391 1.00 0.00 WT1 O ATOM 20942 H1 TIP3 7147 70.785 47.253 -8.453 1.00 0.00 WT1 H ATOM 20943 H2 TIP3 7147 70.869 48.384 -7.451 1.00 0.00 WT1 H ATOM 20944 OH2 TIP3 7148 38.631 45.681 64.140 1.00 0.00 WT1 O ATOM 20945 H1 TIP3 7148 39.378 46.258 64.301 1.00 0.00 WT1 H ATOM 20946 H2 TIP3 7148 38.509 45.706 63.191 1.00 0.00 WT1 H ATOM 20947 OH2 TIP3 7149 43.793 64.641 61.705 1.00 0.00 WT1 O ATOM 20948 H1 TIP3 7149 44.345 65.105 61.075 1.00 0.00 WT1 H ATOM 20949 H2 TIP3 7149 44.409 64.281 62.344 1.00 0.00 WT1 H ATOM 20950 OH2 TIP3 7150 66.046 13.471 20.959 1.00 0.00 WT1 O ATOM 20951 H1 TIP3 7150 65.519 14.213 21.256 1.00 0.00 WT1 H ATOM 20952 H2 TIP3 7150 66.704 13.354 21.644 1.00 0.00 WT1 H ATOM 20953 OH2 TIP3 7151 77.918 12.418 38.104 1.00 0.00 WT1 O ATOM 20954 H1 TIP3 7151 78.117 11.501 37.915 1.00 0.00 WT1 H ATOM 20955 H2 TIP3 7151 78.747 12.785 38.410 1.00 0.00 WT1 H ATOM 20956 OH2 TIP3 7152 78.313 39.442 -12.297 1.00 0.00 WT1 O ATOM 20957 H1 TIP3 7152 77.884 38.843 -11.686 1.00 0.00 WT1 H ATOM 20958 H2 TIP3 7152 77.725 39.477 -13.052 1.00 0.00 WT1 H ATOM 20959 OH2 TIP3 7153 65.710 41.792 52.934 1.00 0.00 WT1 O ATOM 20960 H1 TIP3 7153 65.924 41.863 53.865 1.00 0.00 WT1 H ATOM 20961 H2 TIP3 7153 64.807 42.101 52.871 1.00 0.00 WT1 H ATOM 20962 OH2 TIP3 7154 66.266 11.207 61.574 1.00 0.00 WT1 O ATOM 20963 H1 TIP3 7154 66.500 11.112 62.497 1.00 0.00 WT1 H ATOM 20964 H2 TIP3 7154 65.988 12.119 61.490 1.00 0.00 WT1 H ATOM 20965 OH2 TIP3 7155 87.622 15.889 36.592 1.00 0.00 WT1 O ATOM 20966 H1 TIP3 7155 86.814 15.988 36.088 1.00 0.00 WT1 H ATOM 20967 H2 TIP3 7155 87.519 16.490 37.330 1.00 0.00 WT1 H ATOM 20968 OH2 TIP3 7156 39.401 26.085 20.196 1.00 0.00 WT1 O ATOM 20969 H1 TIP3 7156 38.905 26.819 20.559 1.00 0.00 WT1 H ATOM 20970 H2 TIP3 7156 39.939 26.476 19.508 1.00 0.00 WT1 H ATOM 20971 OH2 TIP3 7157 76.546 30.491 -10.834 1.00 0.00 WT1 O ATOM 20972 H1 TIP3 7157 76.624 31.053 -11.606 1.00 0.00 WT1 H ATOM 20973 H2 TIP3 7157 76.474 31.101 -10.100 1.00 0.00 WT1 H ATOM 20974 OH2 TIP3 7158 71.574 38.015 50.206 1.00 0.00 WT1 O ATOM 20975 H1 TIP3 7158 71.132 38.579 49.571 1.00 0.00 WT1 H ATOM 20976 H2 TIP3 7158 71.057 38.103 51.006 1.00 0.00 WT1 H ATOM 20977 OH2 TIP3 7159 26.498 10.752 57.672 1.00 0.00 WT1 O ATOM 20978 H1 TIP3 7159 26.196 11.632 57.445 1.00 0.00 WT1 H ATOM 20979 H2 TIP3 7159 27.345 10.669 57.233 1.00 0.00 WT1 H ATOM 20980 OH2 TIP3 7160 69.911 43.302 -10.806 1.00 0.00 WT1 O ATOM 20981 H1 TIP3 7160 69.365 42.752 -10.244 1.00 0.00 WT1 H ATOM 20982 H2 TIP3 7160 70.218 44.003 -10.230 1.00 0.00 WT1 H ATOM 20983 OH2 TIP3 7161 84.306 37.212 15.575 1.00 0.00 WT1 O ATOM 20984 H1 TIP3 7161 84.327 36.303 15.274 1.00 0.00 WT1 H ATOM 20985 H2 TIP3 7161 83.374 37.431 15.611 1.00 0.00 WT1 H ATOM 20986 OH2 TIP3 7162 65.054 32.035 28.882 1.00 0.00 WT1 O ATOM 20987 H1 TIP3 7162 65.481 32.658 28.294 1.00 0.00 WT1 H ATOM 20988 H2 TIP3 7162 64.118 32.152 28.717 1.00 0.00 WT1 H ATOM 20989 OH2 TIP3 7163 59.322 30.957 36.665 1.00 0.00 WT1 O ATOM 20990 H1 TIP3 7163 60.006 31.555 36.363 1.00 0.00 WT1 H ATOM 20991 H2 TIP3 7163 59.773 30.124 36.800 1.00 0.00 WT1 H ATOM 20992 OH2 TIP3 7164 39.130 38.997 40.911 1.00 0.00 WT1 O ATOM 20993 H1 TIP3 7164 38.596 38.204 40.872 1.00 0.00 WT1 H ATOM 20994 H2 TIP3 7164 39.799 38.869 40.238 1.00 0.00 WT1 H ATOM 20995 OH2 TIP3 7165 74.968 32.804 33.691 1.00 0.00 WT1 O ATOM 20996 H1 TIP3 7165 75.734 32.427 34.124 1.00 0.00 WT1 H ATOM 20997 H2 TIP3 7165 74.845 33.653 34.116 1.00 0.00 WT1 H ATOM 20998 OH2 TIP3 7166 68.749 45.520 -3.448 1.00 0.00 WT1 O ATOM 20999 H1 TIP3 7166 68.092 45.207 -2.826 1.00 0.00 WT1 H ATOM 21000 H2 TIP3 7166 69.102 44.724 -3.846 1.00 0.00 WT1 H ATOM 21001 OH2 TIP3 7167 47.971 6.387 59.672 1.00 0.00 WT1 O ATOM 21002 H1 TIP3 7167 47.811 5.792 60.405 1.00 0.00 WT1 H ATOM 21003 H2 TIP3 7167 47.288 6.176 59.037 1.00 0.00 WT1 H ATOM 21004 OH2 TIP3 7168 21.513 65.219 27.634 1.00 0.00 WT1 O ATOM 21005 H1 TIP3 7168 20.913 65.186 26.889 1.00 0.00 WT1 H ATOM 21006 H2 TIP3 7168 21.046 64.770 28.339 1.00 0.00 WT1 H ATOM 21007 OH2 TIP3 7169 50.711 26.926 -12.901 1.00 0.00 WT1 O ATOM 21008 H1 TIP3 7169 51.398 26.476 -12.409 1.00 0.00 WT1 H ATOM 21009 H2 TIP3 7169 50.382 27.593 -12.298 1.00 0.00 WT1 H ATOM 21010 OH2 TIP3 7170 69.984 24.858 -6.217 1.00 0.00 WT1 O ATOM 21011 H1 TIP3 7170 69.528 25.546 -6.702 1.00 0.00 WT1 H ATOM 21012 H2 TIP3 7170 70.743 25.299 -5.833 1.00 0.00 WT1 H ATOM 21013 OH2 TIP3 7171 24.352 84.505 62.541 1.00 0.00 WT1 O ATOM 21014 H1 TIP3 7171 24.979 85.014 62.027 1.00 0.00 WT1 H ATOM 21015 H2 TIP3 7171 24.367 83.634 62.144 1.00 0.00 WT1 H ATOM 21016 OH2 TIP3 7172 21.837 20.911 40.266 1.00 0.00 WT1 O ATOM 21017 H1 TIP3 7172 21.877 20.194 40.900 1.00 0.00 WT1 H ATOM 21018 H2 TIP3 7172 22.111 20.515 39.439 1.00 0.00 WT1 H ATOM 21019 OH2 TIP3 7173 88.413 75.542 59.025 1.00 0.00 WT1 O ATOM 21020 H1 TIP3 7173 88.236 76.460 59.230 1.00 0.00 WT1 H ATOM 21021 H2 TIP3 7173 89.166 75.569 58.434 1.00 0.00 WT1 H ATOM 21022 OH2 TIP3 7174 27.579 24.236 32.802 1.00 0.00 WT1 O ATOM 21023 H1 TIP3 7174 27.145 24.343 31.956 1.00 0.00 WT1 H ATOM 21024 H2 TIP3 7174 27.959 23.358 32.768 1.00 0.00 WT1 H ATOM 21025 OH2 TIP3 7175 37.903 90.104 13.443 1.00 0.00 WT1 O ATOM 21026 H1 TIP3 7175 37.930 89.341 14.020 1.00 0.00 WT1 H ATOM 21027 H2 TIP3 7175 38.783 90.478 13.499 1.00 0.00 WT1 H ATOM 21028 OH2 TIP3 7176 39.446 12.019 61.729 1.00 0.00 WT1 O ATOM 21029 H1 TIP3 7176 38.642 11.681 62.123 1.00 0.00 WT1 H ATOM 21030 H2 TIP3 7176 39.766 12.667 62.357 1.00 0.00 WT1 H ATOM 21031 OH2 TIP3 7177 45.535 73.384 60.209 1.00 0.00 WT1 O ATOM 21032 H1 TIP3 7177 45.827 72.598 59.747 1.00 0.00 WT1 H ATOM 21033 H2 TIP3 7177 45.002 73.855 59.569 1.00 0.00 WT1 H ATOM 21034 OH2 TIP3 7178 82.057 89.961 24.947 1.00 0.00 WT1 O ATOM 21035 H1 TIP3 7178 81.583 90.766 24.737 1.00 0.00 WT1 H ATOM 21036 H2 TIP3 7178 81.370 89.313 25.104 1.00 0.00 WT1 H ATOM 21037 OH2 TIP3 7179 46.979 94.088 18.386 1.00 0.00 WT1 O ATOM 21038 H1 TIP3 7179 46.945 93.346 17.782 1.00 0.00 WT1 H ATOM 21039 H2 TIP3 7179 46.642 93.740 19.212 1.00 0.00 WT1 H ATOM 21040 OH2 TIP3 7180 45.954 3.381 54.851 1.00 0.00 WT1 O ATOM 21041 H1 TIP3 7180 46.730 2.822 54.806 1.00 0.00 WT1 H ATOM 21042 H2 TIP3 7180 45.298 2.845 55.297 1.00 0.00 WT1 H ATOM 21043 OH2 TIP3 7181 70.580 1.666 57.482 1.00 0.00 WT1 O ATOM 21044 H1 TIP3 7181 71.241 2.252 57.114 1.00 0.00 WT1 H ATOM 21045 H2 TIP3 7181 70.830 1.568 58.401 1.00 0.00 WT1 H ATOM 21046 OH2 TIP3 7182 34.282 11.141 31.967 1.00 0.00 WT1 O ATOM 21047 H1 TIP3 7182 34.281 11.525 31.090 1.00 0.00 WT1 H ATOM 21048 H2 TIP3 7182 34.390 11.887 32.556 1.00 0.00 WT1 H ATOM 21049 OH2 TIP3 7183 34.540 29.569 32.300 1.00 0.00 WT1 O ATOM 21050 H1 TIP3 7183 34.340 30.464 32.572 1.00 0.00 WT1 H ATOM 21051 H2 TIP3 7183 35.367 29.642 31.823 1.00 0.00 WT1 H ATOM 21052 OH2 TIP3 7184 37.352 20.542 29.091 1.00 0.00 WT1 O ATOM 21053 H1 TIP3 7184 36.768 21.034 28.514 1.00 0.00 WT1 H ATOM 21054 H2 TIP3 7184 37.930 21.205 29.469 1.00 0.00 WT1 H ATOM 21055 OH2 TIP3 7185 55.501 11.101 12.453 1.00 0.00 WT1 O ATOM 21056 H1 TIP3 7185 55.769 11.214 13.365 1.00 0.00 WT1 H ATOM 21057 H2 TIP3 7185 56.115 11.641 11.954 1.00 0.00 WT1 H ATOM 21058 OH2 TIP3 7186 80.051 26.013 -16.971 1.00 0.00 WT1 O ATOM 21059 H1 TIP3 7186 80.600 25.602 -16.303 1.00 0.00 WT1 H ATOM 21060 H2 TIP3 7186 79.769 25.288 -17.529 1.00 0.00 WT1 H ATOM 21061 OH2 TIP3 7187 60.282 47.046 30.948 1.00 0.00 WT1 O ATOM 21062 H1 TIP3 7187 60.136 47.868 30.480 1.00 0.00 WT1 H ATOM 21063 H2 TIP3 7187 60.664 46.462 30.293 1.00 0.00 WT1 H ATOM 21064 OH2 TIP3 7188 64.424 47.770 23.423 1.00 0.00 WT1 O ATOM 21065 H1 TIP3 7188 63.712 47.175 23.188 1.00 0.00 WT1 H ATOM 21066 H2 TIP3 7188 64.536 48.326 22.652 1.00 0.00 WT1 H ATOM 21067 OH2 TIP3 7189 74.320 17.075 59.170 1.00 0.00 WT1 O ATOM 21068 H1 TIP3 7189 74.534 16.947 58.246 1.00 0.00 WT1 H ATOM 21069 H2 TIP3 7189 74.134 18.010 59.246 1.00 0.00 WT1 H ATOM 21070 OH2 TIP3 7190 68.604 4.820 1.163 1.00 0.00 WT1 O ATOM 21071 H1 TIP3 7190 68.031 5.431 1.625 1.00 0.00 WT1 H ATOM 21072 H2 TIP3 7190 69.045 5.356 0.504 1.00 0.00 WT1 H ATOM 21073 OH2 TIP3 7191 89.302 34.098 0.392 1.00 0.00 WT1 O ATOM 21074 H1 TIP3 7191 90.058 34.371 -0.128 1.00 0.00 WT1 H ATOM 21075 H2 TIP3 7191 89.680 33.638 1.142 1.00 0.00 WT1 H ATOM 21076 OH2 TIP3 7192 57.353 86.944 31.104 1.00 0.00 WT1 O ATOM 21077 H1 TIP3 7192 58.298 87.004 30.966 1.00 0.00 WT1 H ATOM 21078 H2 TIP3 7192 56.997 87.715 30.662 1.00 0.00 WT1 H ATOM 21079 OH2 TIP3 7193 31.630 40.807 21.038 1.00 0.00 WT1 O ATOM 21080 H1 TIP3 7193 30.938 41.259 20.556 1.00 0.00 WT1 H ATOM 21081 H2 TIP3 7193 31.411 39.878 20.960 1.00 0.00 WT1 H ATOM 21082 OH2 TIP3 7194 41.313 13.462 42.684 1.00 0.00 WT1 O ATOM 21083 H1 TIP3 7194 40.787 14.182 42.335 1.00 0.00 WT1 H ATOM 21084 H2 TIP3 7194 41.267 12.784 42.011 1.00 0.00 WT1 H ATOM 21085 OH2 TIP3 7195 81.367 80.712 24.700 1.00 0.00 WT1 O ATOM 21086 H1 TIP3 7195 80.784 81.459 24.567 1.00 0.00 WT1 H ATOM 21087 H2 TIP3 7195 80.897 80.147 25.313 1.00 0.00 WT1 H ATOM 21088 OH2 TIP3 7196 44.619 58.708 9.669 1.00 0.00 WT1 O ATOM 21089 H1 TIP3 7196 45.084 59.541 9.744 1.00 0.00 WT1 H ATOM 21090 H2 TIP3 7196 44.510 58.412 10.573 1.00 0.00 WT1 H ATOM 21091 OH2 TIP3 7197 88.640 41.451 59.920 1.00 0.00 WT1 O ATOM 21092 H1 TIP3 7197 89.492 41.143 59.611 1.00 0.00 WT1 H ATOM 21093 H2 TIP3 7197 88.008 40.869 59.498 1.00 0.00 WT1 H ATOM 21094 OH2 TIP3 7198 33.771 44.469 3.487 1.00 0.00 WT1 O ATOM 21095 H1 TIP3 7198 33.028 45.071 3.543 1.00 0.00 WT1 H ATOM 21096 H2 TIP3 7198 34.439 44.958 3.005 1.00 0.00 WT1 H ATOM 21097 OH2 TIP3 7199 24.625 6.669 -7.442 1.00 0.00 WT1 O ATOM 21098 H1 TIP3 7199 24.281 6.288 -8.250 1.00 0.00 WT1 H ATOM 21099 H2 TIP3 7199 23.847 6.887 -6.929 1.00 0.00 WT1 H ATOM 21100 OH2 TIP3 7200 83.625 21.993 0.659 1.00 0.00 WT1 O ATOM 21101 H1 TIP3 7200 84.499 22.383 0.679 1.00 0.00 WT1 H ATOM 21102 H2 TIP3 7200 83.085 22.588 1.179 1.00 0.00 WT1 H ATOM 21103 OH2 TIP3 7201 36.843 27.592 -1.143 1.00 0.00 WT1 O ATOM 21104 H1 TIP3 7201 36.798 27.126 -0.307 1.00 0.00 WT1 H ATOM 21105 H2 TIP3 7201 36.768 28.516 -0.906 1.00 0.00 WT1 H ATOM 21106 OH2 TIP3 7202 48.253 17.793 30.741 1.00 0.00 WT1 O ATOM 21107 H1 TIP3 7202 49.153 17.569 30.975 1.00 0.00 WT1 H ATOM 21108 H2 TIP3 7202 48.304 18.696 30.426 1.00 0.00 WT1 H ATOM 21109 OH2 TIP3 7203 56.333 51.448 48.695 1.00 0.00 WT1 O ATOM 21110 H1 TIP3 7203 56.538 51.272 47.777 1.00 0.00 WT1 H ATOM 21111 H2 TIP3 7203 57.166 51.334 49.153 1.00 0.00 WT1 H ATOM 21112 OH2 TIP3 7204 75.098 29.233 22.122 1.00 0.00 WT1 O ATOM 21113 H1 TIP3 7204 74.579 28.533 21.726 1.00 0.00 WT1 H ATOM 21114 H2 TIP3 7204 74.608 29.482 22.905 1.00 0.00 WT1 H ATOM 21115 OH2 TIP3 7205 62.783 11.384 0.812 1.00 0.00 WT1 O ATOM 21116 H1 TIP3 7205 62.826 11.544 -0.131 1.00 0.00 WT1 H ATOM 21117 H2 TIP3 7205 62.824 12.255 1.205 1.00 0.00 WT1 H ATOM 21118 OH2 TIP3 7206 45.334 17.744 24.928 1.00 0.00 WT1 O ATOM 21119 H1 TIP3 7206 44.635 18.197 24.456 1.00 0.00 WT1 H ATOM 21120 H2 TIP3 7206 46.141 18.137 24.597 1.00 0.00 WT1 H ATOM 21121 OH2 TIP3 7207 61.978 70.243 42.129 1.00 0.00 WT1 O ATOM 21122 H1 TIP3 7207 61.318 70.914 41.954 1.00 0.00 WT1 H ATOM 21123 H2 TIP3 7207 62.463 70.576 42.885 1.00 0.00 WT1 H ATOM 21124 OH2 TIP3 7208 68.513 53.131 -9.475 1.00 0.00 WT1 O ATOM 21125 H1 TIP3 7208 68.817 53.071 -8.569 1.00 0.00 WT1 H ATOM 21126 H2 TIP3 7208 68.185 54.027 -9.559 1.00 0.00 WT1 H ATOM 21127 OH2 TIP3 7209 48.149 14.041 22.431 1.00 0.00 WT1 O ATOM 21128 H1 TIP3 7209 47.348 14.553 22.324 1.00 0.00 WT1 H ATOM 21129 H2 TIP3 7209 48.851 14.692 22.439 1.00 0.00 WT1 H ATOM 21130 OH2 TIP3 7210 80.203 55.503 5.564 1.00 0.00 WT1 O ATOM 21131 H1 TIP3 7210 80.322 56.000 6.373 1.00 0.00 WT1 H ATOM 21132 H2 TIP3 7210 79.253 55.432 5.463 1.00 0.00 WT1 H ATOM 21133 OH2 TIP3 7211 41.507 46.796 18.701 1.00 0.00 WT1 O ATOM 21134 H1 TIP3 7211 41.797 46.207 19.397 1.00 0.00 WT1 H ATOM 21135 H2 TIP3 7211 41.894 47.642 18.925 1.00 0.00 WT1 H ATOM 21136 OH2 TIP3 7212 59.198 15.632 31.844 1.00 0.00 WT1 O ATOM 21137 H1 TIP3 7212 58.270 15.863 31.883 1.00 0.00 WT1 H ATOM 21138 H2 TIP3 7212 59.657 16.471 31.887 1.00 0.00 WT1 H ATOM 21139 OH2 TIP3 7213 37.587 79.117 1.692 1.00 0.00 WT1 O ATOM 21140 H1 TIP3 7213 37.560 78.542 0.927 1.00 0.00 WT1 H ATOM 21141 H2 TIP3 7213 38.471 79.485 1.684 1.00 0.00 WT1 H ATOM 21142 OH2 TIP3 7215 81.130 91.062 36.917 1.00 0.00 WT1 O ATOM 21143 H1 TIP3 7215 81.740 90.924 36.192 1.00 0.00 WT1 H ATOM 21144 H2 TIP3 7215 81.427 90.459 37.598 1.00 0.00 WT1 H ATOM 21145 OH2 TIP3 7216 86.312 59.932 63.284 1.00 0.00 WT1 O ATOM 21146 H1 TIP3 7216 86.172 59.420 64.081 1.00 0.00 WT1 H ATOM 21147 H2 TIP3 7216 85.560 60.522 63.243 1.00 0.00 WT1 H ATOM 21148 OH2 TIP3 7217 28.231 19.368 -15.623 1.00 0.00 WT1 O ATOM 21149 H1 TIP3 7217 27.559 19.249 -14.952 1.00 0.00 WT1 H ATOM 21150 H2 TIP3 7217 28.888 18.701 -15.426 1.00 0.00 WT1 H ATOM 21151 OH2 TIP3 7219 68.060 55.963 2.553 1.00 0.00 WT1 O ATOM 21152 H1 TIP3 7219 68.087 56.762 3.079 1.00 0.00 WT1 H ATOM 21153 H2 TIP3 7219 67.182 55.610 2.697 1.00 0.00 WT1 H ATOM 21154 OH2 TIP3 7220 31.687 67.115 43.649 1.00 0.00 WT1 O ATOM 21155 H1 TIP3 7220 32.174 66.409 43.226 1.00 0.00 WT1 H ATOM 21156 H2 TIP3 7220 32.084 67.917 43.309 1.00 0.00 WT1 H ATOM 21157 OH2 TIP3 7221 73.399 30.166 63.281 1.00 0.00 WT1 O ATOM 21158 H1 TIP3 7221 73.888 29.369 63.077 1.00 0.00 WT1 H ATOM 21159 H2 TIP3 7221 74.025 30.717 63.751 1.00 0.00 WT1 H ATOM 21160 OH2 TIP3 7222 74.196 81.966 60.494 1.00 0.00 WT1 O ATOM 21161 H1 TIP3 7222 73.607 81.615 59.825 1.00 0.00 WT1 H ATOM 21162 H2 TIP3 7222 74.936 82.319 60.000 1.00 0.00 WT1 H ATOM 21163 OH2 TIP3 7223 56.035 12.577 24.086 1.00 0.00 WT1 O ATOM 21164 H1 TIP3 7223 55.556 11.926 24.598 1.00 0.00 WT1 H ATOM 21165 H2 TIP3 7223 56.418 12.080 23.363 1.00 0.00 WT1 H ATOM 21166 OH2 TIP3 7224 43.344 1.162 -15.967 1.00 0.00 WT1 O ATOM 21167 H1 TIP3 7224 43.237 1.719 -15.195 1.00 0.00 WT1 H ATOM 21168 H2 TIP3 7224 42.548 0.630 -15.991 1.00 0.00 WT1 H ATOM 21169 OH2 TIP3 7225 45.173 88.162 54.216 1.00 0.00 WT1 O ATOM 21170 H1 TIP3 7225 45.074 88.205 55.167 1.00 0.00 WT1 H ATOM 21171 H2 TIP3 7225 45.579 87.310 54.055 1.00 0.00 WT1 H ATOM 21172 OH2 TIP3 7226 89.252 32.586 47.884 1.00 0.00 WT1 O ATOM 21173 H1 TIP3 7226 89.885 32.719 48.590 1.00 0.00 WT1 H ATOM 21174 H2 TIP3 7226 88.434 32.947 48.224 1.00 0.00 WT1 H ATOM 21175 OH2 TIP3 7227 75.638 27.829 -7.923 1.00 0.00 WT1 O ATOM 21176 H1 TIP3 7227 75.312 28.699 -7.689 1.00 0.00 WT1 H ATOM 21177 H2 TIP3 7227 74.911 27.418 -8.390 1.00 0.00 WT1 H ATOM 21178 OH2 TIP3 7228 62.611 41.765 9.312 1.00 0.00 WT1 O ATOM 21179 H1 TIP3 7228 63.126 41.903 10.107 1.00 0.00 WT1 H ATOM 21180 H2 TIP3 7228 62.934 40.937 8.958 1.00 0.00 WT1 H ATOM 21181 OH2 TIP3 7229 35.115 94.851 0.110 1.00 0.00 WT1 O ATOM 21182 H1 TIP3 7229 35.004 93.906 0.002 1.00 0.00 WT1 H ATOM 21183 H2 TIP3 7229 36.049 94.964 0.285 1.00 0.00 WT1 H ATOM 21184 OH2 TIP3 7230 38.932 28.551 8.141 1.00 0.00 WT1 O ATOM 21185 H1 TIP3 7230 39.334 28.145 8.909 1.00 0.00 WT1 H ATOM 21186 H2 TIP3 7230 38.434 29.289 8.492 1.00 0.00 WT1 H ATOM 21187 OH2 TIP3 7231 54.132 28.058 2.050 1.00 0.00 WT1 O ATOM 21188 H1 TIP3 7231 53.969 28.988 1.894 1.00 0.00 WT1 H ATOM 21189 H2 TIP3 7231 55.082 27.964 1.973 1.00 0.00 WT1 H ATOM 21190 OH2 TIP3 7232 68.580 41.733 52.316 1.00 0.00 WT1 O ATOM 21191 H1 TIP3 7232 67.659 41.815 52.564 1.00 0.00 WT1 H ATOM 21192 H2 TIP3 7232 69.000 41.336 53.079 1.00 0.00 WT1 H ATOM 21193 OH2 TIP3 7233 53.718 50.058 -3.126 1.00 0.00 WT1 O ATOM 21194 H1 TIP3 7233 52.782 49.991 -2.936 1.00 0.00 WT1 H ATOM 21195 H2 TIP3 7233 53.904 50.996 -3.086 1.00 0.00 WT1 H ATOM 21196 OH2 TIP3 7234 43.989 12.179 15.107 1.00 0.00 WT1 O ATOM 21197 H1 TIP3 7234 44.295 11.337 14.769 1.00 0.00 WT1 H ATOM 21198 H2 TIP3 7234 44.783 12.707 15.190 1.00 0.00 WT1 H ATOM 21199 OH2 TIP3 7235 40.914 3.537 -8.231 1.00 0.00 WT1 O ATOM 21200 H1 TIP3 7235 40.047 3.470 -7.831 1.00 0.00 WT1 H ATOM 21201 H2 TIP3 7235 41.147 4.462 -8.146 1.00 0.00 WT1 H ATOM 21202 OH2 TIP3 7236 88.409 19.580 55.010 1.00 0.00 WT1 O ATOM 21203 H1 TIP3 7236 87.746 19.405 54.342 1.00 0.00 WT1 H ATOM 21204 H2 TIP3 7236 88.106 20.376 55.446 1.00 0.00 WT1 H ATOM 21205 OH2 TIP3 7237 30.851 63.694 6.118 1.00 0.00 WT1 O ATOM 21206 H1 TIP3 7237 31.147 64.251 5.398 1.00 0.00 WT1 H ATOM 21207 H2 TIP3 7237 30.845 64.273 6.881 1.00 0.00 WT1 H ATOM 21208 OH2 TIP3 7238 25.062 17.804 7.020 1.00 0.00 WT1 O ATOM 21209 H1 TIP3 7238 24.953 16.978 6.549 1.00 0.00 WT1 H ATOM 21210 H2 TIP3 7238 25.109 18.468 6.332 1.00 0.00 WT1 H ATOM 21211 OH2 TIP3 7239 26.574 65.810 0.094 1.00 0.00 WT1 O ATOM 21212 H1 TIP3 7239 26.512 66.405 0.841 1.00 0.00 WT1 H ATOM 21213 H2 TIP3 7239 26.956 65.010 0.455 1.00 0.00 WT1 H ATOM 21214 OH2 TIP3 7240 77.118 15.830 47.283 1.00 0.00 WT1 O ATOM 21215 H1 TIP3 7240 76.454 15.419 46.729 1.00 0.00 WT1 H ATOM 21216 H2 TIP3 7240 76.746 16.681 47.512 1.00 0.00 WT1 H ATOM 21217 OH2 TIP3 7241 60.678 23.912 17.003 1.00 0.00 WT1 O ATOM 21218 H1 TIP3 7241 60.557 24.600 16.348 1.00 0.00 WT1 H ATOM 21219 H2 TIP3 7241 60.055 23.230 16.752 1.00 0.00 WT1 H ATOM 21220 OH2 TIP3 7242 89.576 38.588 48.929 1.00 0.00 WT1 O ATOM 21221 H1 TIP3 7242 90.353 39.055 49.236 1.00 0.00 WT1 H ATOM 21222 H2 TIP3 7242 89.060 38.433 49.720 1.00 0.00 WT1 H ATOM 21223 OH2 TIP3 7243 37.965 85.847 38.538 1.00 0.00 WT1 O ATOM 21224 H1 TIP3 7243 38.795 85.754 39.006 1.00 0.00 WT1 H ATOM 21225 H2 TIP3 7243 37.901 85.055 38.004 1.00 0.00 WT1 H ATOM 21226 OH2 TIP3 7244 71.524 46.826 34.435 1.00 0.00 WT1 O ATOM 21227 H1 TIP3 7244 71.189 47.615 34.010 1.00 0.00 WT1 H ATOM 21228 H2 TIP3 7244 71.268 46.111 33.851 1.00 0.00 WT1 H ATOM 21229 OH2 TIP3 7245 39.210 17.576 -14.294 1.00 0.00 WT1 O ATOM 21230 H1 TIP3 7245 39.091 16.747 -13.830 1.00 0.00 WT1 H ATOM 21231 H2 TIP3 7245 38.735 18.217 -13.765 1.00 0.00 WT1 H ATOM 21232 OH2 TIP3 7246 69.832 33.747 40.783 1.00 0.00 WT1 O ATOM 21233 H1 TIP3 7246 69.896 32.882 40.378 1.00 0.00 WT1 H ATOM 21234 H2 TIP3 7246 70.464 34.283 40.305 1.00 0.00 WT1 H ATOM 21235 OH2 TIP3 7247 59.832 30.818 42.210 1.00 0.00 WT1 O ATOM 21236 H1 TIP3 7247 59.838 30.993 41.269 1.00 0.00 WT1 H ATOM 21237 H2 TIP3 7247 58.913 30.900 42.464 1.00 0.00 WT1 H ATOM 21238 OH2 TIP3 7248 20.272 70.265 33.292 1.00 0.00 WT1 O ATOM 21239 H1 TIP3 7248 19.687 70.873 32.841 1.00 0.00 WT1 H ATOM 21240 H2 TIP3 7248 20.706 69.783 32.589 1.00 0.00 WT1 H ATOM 21241 OH2 TIP3 7249 26.229 53.947 -9.734 1.00 0.00 WT1 O ATOM 21242 H1 TIP3 7249 26.245 54.898 -9.629 1.00 0.00 WT1 H ATOM 21243 H2 TIP3 7249 26.592 53.609 -8.915 1.00 0.00 WT1 H ATOM 21244 OH2 TIP3 7250 32.905 5.704 9.864 1.00 0.00 WT1 O ATOM 21245 H1 TIP3 7250 32.136 6.273 9.871 1.00 0.00 WT1 H ATOM 21246 H2 TIP3 7250 33.268 5.802 8.983 1.00 0.00 WT1 H ATOM 21247 OH2 TIP3 7251 47.278 5.571 -7.651 1.00 0.00 WT1 O ATOM 21248 H1 TIP3 7251 47.666 6.445 -7.675 1.00 0.00 WT1 H ATOM 21249 H2 TIP3 7251 47.432 5.217 -8.528 1.00 0.00 WT1 H ATOM 21250 OH2 TIP3 7252 75.118 43.363 39.979 1.00 0.00 WT1 O ATOM 21251 H1 TIP3 7252 75.924 43.703 39.590 1.00 0.00 WT1 H ATOM 21252 H2 TIP3 7252 75.405 42.629 40.523 1.00 0.00 WT1 H ATOM 21253 OH2 TIP3 7253 20.843 33.890 42.442 1.00 0.00 WT1 O ATOM 21254 H1 TIP3 7253 21.761 34.103 42.276 1.00 0.00 WT1 H ATOM 21255 H2 TIP3 7253 20.356 34.635 42.091 1.00 0.00 WT1 H ATOM 21256 OH2 TIP3 7254 38.368 83.651 58.760 1.00 0.00 WT1 O ATOM 21257 H1 TIP3 7254 37.710 83.223 58.211 1.00 0.00 WT1 H ATOM 21258 H2 TIP3 7254 38.199 84.587 58.651 1.00 0.00 WT1 H ATOM 21259 OH2 TIP3 7255 80.944 51.001 12.195 1.00 0.00 WT1 O ATOM 21260 H1 TIP3 7255 81.868 51.224 12.311 1.00 0.00 WT1 H ATOM 21261 H2 TIP3 7255 80.840 50.892 11.250 1.00 0.00 WT1 H ATOM 21262 OH2 TIP3 7256 28.857 37.457 -0.174 1.00 0.00 WT1 O ATOM 21263 H1 TIP3 7256 28.578 37.206 -1.055 1.00 0.00 WT1 H ATOM 21264 H2 TIP3 7256 29.465 38.183 -0.313 1.00 0.00 WT1 H ATOM 21265 OH2 TIP3 7257 35.625 78.486 26.200 1.00 0.00 WT1 O ATOM 21266 H1 TIP3 7257 36.570 78.347 26.134 1.00 0.00 WT1 H ATOM 21267 H2 TIP3 7257 35.473 79.319 25.753 1.00 0.00 WT1 H ATOM 21268 OH2 TIP3 7258 74.218 72.225 67.446 1.00 0.00 WT1 O ATOM 21269 H1 TIP3 7258 73.788 73.071 67.568 1.00 0.00 WT1 H ATOM 21270 H2 TIP3 7258 74.412 72.187 66.509 1.00 0.00 WT1 H ATOM 21271 OH2 TIP3 7259 86.595 86.738 8.096 1.00 0.00 WT1 O ATOM 21272 H1 TIP3 7259 85.763 86.544 8.527 1.00 0.00 WT1 H ATOM 21273 H2 TIP3 7259 86.445 87.570 7.648 1.00 0.00 WT1 H ATOM 21274 OH2 TIP3 7260 76.782 46.564 -3.077 1.00 0.00 WT1 O ATOM 21275 H1 TIP3 7260 77.462 46.816 -2.453 1.00 0.00 WT1 H ATOM 21276 H2 TIP3 7260 76.044 47.140 -2.875 1.00 0.00 WT1 H ATOM 21277 OH2 TIP3 7261 30.457 9.209 42.413 1.00 0.00 WT1 O ATOM 21278 H1 TIP3 7261 30.743 8.336 42.684 1.00 0.00 WT1 H ATOM 21279 H2 TIP3 7261 30.963 9.808 42.961 1.00 0.00 WT1 H ATOM 21280 OH2 TIP3 7264 55.596 95.968 37.870 1.00 0.00 WT1 O ATOM 21281 H1 TIP3 7264 56.543 96.107 37.849 1.00 0.00 WT1 H ATOM 21282 H2 TIP3 7264 55.477 95.073 37.551 1.00 0.00 WT1 H ATOM 21283 OH2 TIP3 7265 87.594 53.091 54.539 1.00 0.00 WT1 O ATOM 21284 H1 TIP3 7265 87.026 53.722 54.098 1.00 0.00 WT1 H ATOM 21285 H2 TIP3 7265 87.305 52.238 54.212 1.00 0.00 WT1 H ATOM 21286 OH2 TIP3 7266 52.119 41.447 34.524 1.00 0.00 WT1 O ATOM 21287 H1 TIP3 7266 51.363 40.883 34.689 1.00 0.00 WT1 H ATOM 21288 H2 TIP3 7266 52.029 41.706 33.607 1.00 0.00 WT1 H ATOM 21289 OH2 TIP3 7267 73.527 78.566 65.911 1.00 0.00 WT1 O ATOM 21290 H1 TIP3 7267 72.809 78.802 65.324 1.00 0.00 WT1 H ATOM 21291 H2 TIP3 7267 73.913 79.403 66.168 1.00 0.00 WT1 H ATOM 21292 OH2 TIP3 7268 73.897 10.636 63.954 1.00 0.00 WT1 O ATOM 21293 H1 TIP3 7268 73.600 10.523 64.857 1.00 0.00 WT1 H ATOM 21294 H2 TIP3 7268 73.982 11.583 63.845 1.00 0.00 WT1 H ATOM 21295 OH2 TIP3 7269 78.931 7.043 57.477 1.00 0.00 WT1 O ATOM 21296 H1 TIP3 7269 79.743 6.536 57.454 1.00 0.00 WT1 H ATOM 21297 H2 TIP3 7269 79.216 7.947 57.604 1.00 0.00 WT1 H ATOM 21298 OH2 TIP3 7270 50.760 45.248 -15.223 1.00 0.00 WT1 O ATOM 21299 H1 TIP3 7270 50.296 46.038 -14.947 1.00 0.00 WT1 H ATOM 21300 H2 TIP3 7270 50.760 44.687 -14.447 1.00 0.00 WT1 H ATOM 21301 OH2 TIP3 7271 55.947 51.043 0.101 1.00 0.00 WT1 O ATOM 21302 H1 TIP3 7271 55.403 51.696 -0.339 1.00 0.00 WT1 H ATOM 21303 H2 TIP3 7271 55.654 51.062 1.012 1.00 0.00 WT1 H ATOM 21304 OH2 TIP3 7272 21.738 10.350 66.996 1.00 0.00 WT1 O ATOM 21305 H1 TIP3 7272 21.813 9.482 67.393 1.00 0.00 WT1 H ATOM 21306 H2 TIP3 7272 22.599 10.514 66.612 1.00 0.00 WT1 H ATOM 21307 OH2 TIP3 7273 63.685 51.991 -18.732 1.00 0.00 WT1 O ATOM 21308 H1 TIP3 7273 63.286 51.487 -18.022 1.00 0.00 WT1 H ATOM 21309 H2 TIP3 7273 63.308 52.867 -18.646 1.00 0.00 WT1 H ATOM 21310 OH2 TIP3 7275 64.253 41.072 34.166 1.00 0.00 WT1 O ATOM 21311 H1 TIP3 7275 64.853 41.802 34.316 1.00 0.00 WT1 H ATOM 21312 H2 TIP3 7275 63.637 41.398 33.510 1.00 0.00 WT1 H ATOM 21313 OH2 TIP3 7276 22.093 33.096 47.315 1.00 0.00 WT1 O ATOM 21314 H1 TIP3 7276 21.753 33.522 48.102 1.00 0.00 WT1 H ATOM 21315 H2 TIP3 7276 21.356 33.096 46.705 1.00 0.00 WT1 H ATOM 21316 OH2 TIP3 7277 42.711 24.436 38.643 1.00 0.00 WT1 O ATOM 21317 H1 TIP3 7277 43.416 24.622 38.022 1.00 0.00 WT1 H ATOM 21318 H2 TIP3 7277 42.228 23.710 38.247 1.00 0.00 WT1 H ATOM 21319 OH2 TIP3 7278 55.893 27.756 -10.544 1.00 0.00 WT1 O ATOM 21320 H1 TIP3 7278 56.419 28.295 -9.955 1.00 0.00 WT1 H ATOM 21321 H2 TIP3 7278 55.009 28.116 -10.474 1.00 0.00 WT1 H ATOM 21322 OH2 TIP3 7279 62.279 43.123 34.900 1.00 0.00 WT1 O ATOM 21323 H1 TIP3 7279 63.009 42.565 34.631 1.00 0.00 WT1 H ATOM 21324 H2 TIP3 7279 62.496 43.987 34.549 1.00 0.00 WT1 H ATOM 21325 OH2 TIP3 7280 55.185 25.465 45.832 1.00 0.00 WT1 O ATOM 21326 H1 TIP3 7280 55.759 25.067 45.177 1.00 0.00 WT1 H ATOM 21327 H2 TIP3 7280 55.689 25.430 46.645 1.00 0.00 WT1 H ATOM 21328 OH2 TIP3 7281 41.315 75.607 51.042 1.00 0.00 WT1 O ATOM 21329 H1 TIP3 7281 41.097 76.487 50.736 1.00 0.00 WT1 H ATOM 21330 H2 TIP3 7281 41.248 75.057 50.262 1.00 0.00 WT1 H ATOM 21331 OH2 TIP3 7282 25.279 36.123 -13.611 1.00 0.00 WT1 O ATOM 21332 H1 TIP3 7282 24.683 36.012 -14.352 1.00 0.00 WT1 H ATOM 21333 H2 TIP3 7282 25.843 36.854 -13.865 1.00 0.00 WT1 H ATOM 21334 OH2 TIP3 7283 74.514 55.443 12.188 1.00 0.00 WT1 O ATOM 21335 H1 TIP3 7283 73.988 55.063 11.484 1.00 0.00 WT1 H ATOM 21336 H2 TIP3 7283 74.417 54.830 12.917 1.00 0.00 WT1 H ATOM 21337 OH2 TIP3 7284 21.511 92.216 31.596 1.00 0.00 WT1 O ATOM 21338 H1 TIP3 7284 21.633 93.090 31.965 1.00 0.00 WT1 H ATOM 21339 H2 TIP3 7284 22.379 91.815 31.637 1.00 0.00 WT1 H ATOM 21340 OH2 TIP3 7285 79.782 87.313 36.324 1.00 0.00 WT1 O ATOM 21341 H1 TIP3 7285 78.909 87.698 36.249 1.00 0.00 WT1 H ATOM 21342 H2 TIP3 7285 79.797 86.919 37.197 1.00 0.00 WT1 H ATOM 21343 OH2 TIP3 7286 89.085 52.898 44.773 1.00 0.00 WT1 O ATOM 21344 H1 TIP3 7286 89.088 53.702 45.291 1.00 0.00 WT1 H ATOM 21345 H2 TIP3 7286 88.218 52.519 44.923 1.00 0.00 WT1 H ATOM 21346 OH2 TIP3 7287 67.848 49.513 16.714 1.00 0.00 WT1 O ATOM 21347 H1 TIP3 7287 68.060 48.583 16.641 1.00 0.00 WT1 H ATOM 21348 H2 TIP3 7287 66.955 49.583 16.378 1.00 0.00 WT1 H ATOM 21349 OH2 TIP3 7288 88.087 31.596 -14.883 1.00 0.00 WT1 O ATOM 21350 H1 TIP3 7288 87.180 31.802 -14.660 1.00 0.00 WT1 H ATOM 21351 H2 TIP3 7288 88.540 32.439 -14.854 1.00 0.00 WT1 H ATOM 21352 OH2 TIP3 7289 84.648 95.752 -10.758 1.00 0.00 WT1 O ATOM 21353 H1 TIP3 7289 84.574 94.895 -11.177 1.00 0.00 WT1 H ATOM 21354 H2 TIP3 7289 85.548 95.784 -10.435 1.00 0.00 WT1 H ATOM 21355 OH2 TIP3 7290 63.919 29.444 25.781 1.00 0.00 WT1 O ATOM 21356 H1 TIP3 7290 64.012 30.298 25.358 1.00 0.00 WT1 H ATOM 21357 H2 TIP3 7290 63.720 28.842 25.064 1.00 0.00 WT1 H ATOM 21358 OH2 TIP3 7291 62.692 35.191 26.303 1.00 0.00 WT1 O ATOM 21359 H1 TIP3 7291 62.468 35.249 25.374 1.00 0.00 WT1 H ATOM 21360 H2 TIP3 7291 62.098 35.808 26.731 1.00 0.00 WT1 H ATOM 21361 OH2 TIP3 7293 76.591 14.716 -11.748 1.00 0.00 WT1 O ATOM 21362 H1 TIP3 7293 75.802 15.250 -11.843 1.00 0.00 WT1 H ATOM 21363 H2 TIP3 7293 76.636 14.207 -12.557 1.00 0.00 WT1 H ATOM 21364 OH2 TIP3 7294 86.164 60.503 9.686 1.00 0.00 WT1 O ATOM 21365 H1 TIP3 7294 86.476 60.464 10.590 1.00 0.00 WT1 H ATOM 21366 H2 TIP3 7294 85.810 59.629 9.517 1.00 0.00 WT1 H ATOM 21367 OH2 TIP3 7295 89.958 56.282 33.967 1.00 0.00 WT1 O ATOM 21368 H1 TIP3 7295 89.515 55.484 34.259 1.00 0.00 WT1 H ATOM 21369 H2 TIP3 7295 89.299 56.970 34.062 1.00 0.00 WT1 H ATOM 21370 OH2 TIP3 7297 51.737 1.632 17.133 1.00 0.00 WT1 O ATOM 21371 H1 TIP3 7297 52.601 1.298 17.374 1.00 0.00 WT1 H ATOM 21372 H2 TIP3 7297 51.340 0.925 16.625 1.00 0.00 WT1 H ATOM 21373 OH2 TIP3 7298 36.525 11.457 5.769 1.00 0.00 WT1 O ATOM 21374 H1 TIP3 7298 36.050 11.378 4.942 1.00 0.00 WT1 H ATOM 21375 H2 TIP3 7298 35.884 11.216 6.438 1.00 0.00 WT1 H ATOM 21376 OH2 TIP3 7299 58.144 26.440 -2.895 1.00 0.00 WT1 O ATOM 21377 H1 TIP3 7299 57.832 27.236 -2.465 1.00 0.00 WT1 H ATOM 21378 H2 TIP3 7299 57.625 25.737 -2.505 1.00 0.00 WT1 H ATOM 21379 OH2 TIP3 7300 68.254 92.650 -2.610 1.00 0.00 WT1 O ATOM 21380 H1 TIP3 7300 68.455 93.472 -3.058 1.00 0.00 WT1 H ATOM 21381 H2 TIP3 7300 67.518 92.863 -2.038 1.00 0.00 WT1 H ATOM 21382 OH2 TIP3 7301 21.376 92.469 -4.365 1.00 0.00 WT1 O ATOM 21383 H1 TIP3 7301 21.840 91.648 -4.203 1.00 0.00 WT1 H ATOM 21384 H2 TIP3 7301 20.971 92.351 -5.224 1.00 0.00 WT1 H ATOM 21385 OH2 TIP3 7302 77.926 33.642 9.955 1.00 0.00 WT1 O ATOM 21386 H1 TIP3 7302 78.322 32.934 10.463 1.00 0.00 WT1 H ATOM 21387 H2 TIP3 7302 77.968 34.405 10.532 1.00 0.00 WT1 H ATOM 21388 OH2 TIP3 7304 86.157 33.451 34.149 1.00 0.00 WT1 O ATOM 21389 H1 TIP3 7304 86.682 32.912 33.557 1.00 0.00 WT1 H ATOM 21390 H2 TIP3 7304 86.124 32.949 34.964 1.00 0.00 WT1 H ATOM 21391 OH2 TIP3 7305 85.001 31.557 -1.682 1.00 0.00 WT1 O ATOM 21392 H1 TIP3 7305 85.479 31.551 -0.852 1.00 0.00 WT1 H ATOM 21393 H2 TIP3 7305 85.320 32.336 -2.137 1.00 0.00 WT1 H ATOM 21394 OH2 TIP3 7306 85.955 0.078 -1.748 1.00 0.00 WT1 O ATOM 21395 H1 TIP3 7306 85.543 0.682 -2.365 1.00 0.00 WT1 H ATOM 21396 H2 TIP3 7306 85.667 -0.790 -2.033 1.00 0.00 WT1 H ATOM 21397 OH2 TIP3 7307 48.294 36.746 -3.821 1.00 0.00 WT1 O ATOM 21398 H1 TIP3 7307 47.394 37.051 -3.705 1.00 0.00 WT1 H ATOM 21399 H2 TIP3 7307 48.650 37.304 -4.513 1.00 0.00 WT1 H ATOM 21400 OH2 TIP3 7309 29.692 37.961 37.503 1.00 0.00 WT1 O ATOM 21401 H1 TIP3 7309 28.840 37.566 37.317 1.00 0.00 WT1 H ATOM 21402 H2 TIP3 7309 30.295 37.526 36.900 1.00 0.00 WT1 H ATOM 21403 OH2 TIP3 7310 34.955 56.339 17.246 1.00 0.00 WT1 O ATOM 21404 H1 TIP3 7310 35.768 56.095 17.689 1.00 0.00 WT1 H ATOM 21405 H2 TIP3 7310 35.121 56.153 16.321 1.00 0.00 WT1 H ATOM 21406 OH2 TIP3 7312 88.341 61.244 8.032 1.00 0.00 WT1 O ATOM 21407 H1 TIP3 7312 87.685 61.162 8.724 1.00 0.00 WT1 H ATOM 21408 H2 TIP3 7312 89.170 61.348 8.498 1.00 0.00 WT1 H ATOM 21409 OH2 TIP3 7313 89.881 95.616 57.611 1.00 0.00 WT1 O ATOM 21410 H1 TIP3 7313 89.162 95.024 57.832 1.00 0.00 WT1 H ATOM 21411 H2 TIP3 7313 90.617 95.306 58.138 1.00 0.00 WT1 H ATOM 21412 OH2 TIP3 7314 35.553 15.709 62.415 1.00 0.00 WT1 O ATOM 21413 H1 TIP3 7314 35.470 14.867 61.968 1.00 0.00 WT1 H ATOM 21414 H2 TIP3 7314 35.639 16.349 61.708 1.00 0.00 WT1 H ATOM 21415 OH2 TIP3 7315 49.992 8.665 38.788 1.00 0.00 WT1 O ATOM 21416 H1 TIP3 7315 50.582 7.920 38.674 1.00 0.00 WT1 H ATOM 21417 H2 TIP3 7315 50.571 9.425 38.835 1.00 0.00 WT1 H ATOM 21418 OH2 TIP3 7318 83.527 40.616 51.746 1.00 0.00 WT1 O ATOM 21419 H1 TIP3 7318 83.651 41.296 52.409 1.00 0.00 WT1 H ATOM 21420 H2 TIP3 7318 82.624 40.729 51.452 1.00 0.00 WT1 H ATOM 21421 OH2 TIP3 7319 60.035 62.707 21.754 1.00 0.00 WT1 O ATOM 21422 H1 TIP3 7319 59.673 63.578 21.593 1.00 0.00 WT1 H ATOM 21423 H2 TIP3 7319 59.943 62.251 20.917 1.00 0.00 WT1 H ATOM 21424 OH2 TIP3 7320 65.377 7.256 48.624 1.00 0.00 WT1 O ATOM 21425 H1 TIP3 7320 64.975 6.537 49.110 1.00 0.00 WT1 H ATOM 21426 H2 TIP3 7320 64.883 7.298 47.805 1.00 0.00 WT1 H ATOM 21427 OH2 TIP3 7322 81.472 59.653 42.083 1.00 0.00 WT1 O ATOM 21428 H1 TIP3 7322 80.758 60.244 41.846 1.00 0.00 WT1 H ATOM 21429 H2 TIP3 7322 81.118 58.776 41.935 1.00 0.00 WT1 H ATOM 21430 OH2 TIP3 7323 78.558 52.335 -9.806 1.00 0.00 WT1 O ATOM 21431 H1 TIP3 7323 78.005 51.719 -9.327 1.00 0.00 WT1 H ATOM 21432 H2 TIP3 7323 78.827 52.977 -9.149 1.00 0.00 WT1 H ATOM 21433 OH2 TIP3 7324 35.467 79.111 -15.508 1.00 0.00 WT1 O ATOM 21434 H1 TIP3 7324 36.288 79.553 -15.295 1.00 0.00 WT1 H ATOM 21435 H2 TIP3 7324 34.795 79.783 -15.395 1.00 0.00 WT1 H ATOM 21436 OH2 TIP3 7325 90.662 31.158 4.742 1.00 0.00 WT1 O ATOM 21437 H1 TIP3 7325 91.028 31.742 5.406 1.00 0.00 WT1 H ATOM 21438 H2 TIP3 7325 90.478 31.728 3.996 1.00 0.00 WT1 H ATOM 21439 OH2 TIP3 7326 33.029 16.777 35.093 1.00 0.00 WT1 O ATOM 21440 H1 TIP3 7326 33.011 17.159 34.215 1.00 0.00 WT1 H ATOM 21441 H2 TIP3 7326 32.183 17.012 35.474 1.00 0.00 WT1 H ATOM 21442 OH2 TIP3 7328 69.432 15.914 6.496 1.00 0.00 WT1 O ATOM 21443 H1 TIP3 7328 69.382 15.167 5.898 1.00 0.00 WT1 H ATOM 21444 H2 TIP3 7328 70.369 16.028 6.659 1.00 0.00 WT1 H ATOM 21445 OH2 TIP3 7329 35.073 18.948 -6.824 1.00 0.00 WT1 O ATOM 21446 H1 TIP3 7329 35.989 18.795 -6.593 1.00 0.00 WT1 H ATOM 21447 H2 TIP3 7329 34.751 19.544 -6.148 1.00 0.00 WT1 H ATOM 21448 OH2 TIP3 7330 58.306 57.227 -5.152 1.00 0.00 WT1 O ATOM 21449 H1 TIP3 7330 57.439 57.524 -5.429 1.00 0.00 WT1 H ATOM 21450 H2 TIP3 7330 58.634 57.931 -4.593 1.00 0.00 WT1 H ATOM 21451 OH2 TIP3 7331 27.450 20.152 -5.017 1.00 0.00 WT1 O ATOM 21452 H1 TIP3 7331 28.241 19.759 -5.384 1.00 0.00 WT1 H ATOM 21453 H2 TIP3 7331 27.763 20.918 -4.535 1.00 0.00 WT1 H ATOM 21454 OH2 TIP3 7332 60.602 48.357 55.168 1.00 0.00 WT1 O ATOM 21455 H1 TIP3 7332 61.004 47.879 54.443 1.00 0.00 WT1 H ATOM 21456 H2 TIP3 7332 59.818 47.851 55.384 1.00 0.00 WT1 H ATOM 21457 OH2 TIP3 7333 73.091 57.312 41.020 1.00 0.00 WT1 O ATOM 21458 H1 TIP3 7333 72.363 57.495 40.426 1.00 0.00 WT1 H ATOM 21459 H2 TIP3 7333 73.514 58.160 41.149 1.00 0.00 WT1 H ATOM 21460 OH2 TIP3 7334 77.593 66.508 15.267 1.00 0.00 WT1 O ATOM 21461 H1 TIP3 7334 76.938 67.187 15.428 1.00 0.00 WT1 H ATOM 21462 H2 TIP3 7334 77.083 65.709 15.136 1.00 0.00 WT1 H ATOM 21463 OH2 TIP3 7335 64.270 47.923 -0.975 1.00 0.00 WT1 O ATOM 21464 H1 TIP3 7335 64.854 48.640 -1.223 1.00 0.00 WT1 H ATOM 21465 H2 TIP3 7335 63.945 48.167 -0.109 1.00 0.00 WT1 H ATOM 21466 OH2 TIP3 7336 75.280 46.608 42.431 1.00 0.00 WT1 O ATOM 21467 H1 TIP3 7336 74.737 46.840 41.677 1.00 0.00 WT1 H ATOM 21468 H2 TIP3 7336 75.308 47.405 42.961 1.00 0.00 WT1 H ATOM 21469 OH2 TIP3 7337 24.950 61.248 15.190 1.00 0.00 WT1 O ATOM 21470 H1 TIP3 7337 25.692 61.307 15.792 1.00 0.00 WT1 H ATOM 21471 H2 TIP3 7337 24.215 60.978 15.740 1.00 0.00 WT1 H ATOM 21472 OH2 TIP3 7338 84.732 22.761 58.008 1.00 0.00 WT1 O ATOM 21473 H1 TIP3 7338 85.284 23.476 57.693 1.00 0.00 WT1 H ATOM 21474 H2 TIP3 7338 84.128 22.587 57.286 1.00 0.00 WT1 H ATOM 21475 OH2 TIP3 7339 29.210 17.025 49.807 1.00 0.00 WT1 O ATOM 21476 H1 TIP3 7339 28.463 17.605 49.957 1.00 0.00 WT1 H ATOM 21477 H2 TIP3 7339 29.183 16.837 48.869 1.00 0.00 WT1 H ATOM 21478 OH2 TIP3 7340 33.602 79.456 61.919 1.00 0.00 WT1 O ATOM 21479 H1 TIP3 7340 32.829 78.893 61.869 1.00 0.00 WT1 H ATOM 21480 H2 TIP3 7340 34.169 79.148 61.212 1.00 0.00 WT1 H ATOM 21481 OH2 TIP3 7342 53.198 52.677 58.519 1.00 0.00 WT1 O ATOM 21482 H1 TIP3 7342 52.794 53.514 58.746 1.00 0.00 WT1 H ATOM 21483 H2 TIP3 7342 52.604 52.291 57.874 1.00 0.00 WT1 H ATOM 21484 OH2 TIP3 7343 37.953 48.126 -13.638 1.00 0.00 WT1 O ATOM 21485 H1 TIP3 7343 38.815 47.848 -13.948 1.00 0.00 WT1 H ATOM 21486 H2 TIP3 7343 37.982 49.082 -13.674 1.00 0.00 WT1 H ATOM 21487 OH2 TIP3 7344 68.153 58.999 -1.646 1.00 0.00 WT1 O ATOM 21488 H1 TIP3 7344 67.554 58.773 -0.935 1.00 0.00 WT1 H ATOM 21489 H2 TIP3 7344 68.914 59.379 -1.206 1.00 0.00 WT1 H ATOM 21490 OH2 TIP3 7346 74.271 4.084 62.723 1.00 0.00 WT1 O ATOM 21491 H1 TIP3 7346 74.829 3.507 63.246 1.00 0.00 WT1 H ATOM 21492 H2 TIP3 7346 73.590 4.374 63.330 1.00 0.00 WT1 H ATOM 21493 OH2 TIP3 7348 54.810 67.126 -19.183 1.00 0.00 WT1 O ATOM 21494 H1 TIP3 7348 55.496 66.991 -19.836 1.00 0.00 WT1 H ATOM 21495 H2 TIP3 7348 54.962 66.441 -18.531 1.00 0.00 WT1 H ATOM 21496 OH2 TIP3 7350 51.748 64.895 -17.264 1.00 0.00 WT1 O ATOM 21497 H1 TIP3 7350 52.203 64.522 -18.019 1.00 0.00 WT1 H ATOM 21498 H2 TIP3 7350 52.209 64.537 -16.505 1.00 0.00 WT1 H ATOM 21499 OH2 TIP3 7351 57.495 94.666 44.637 1.00 0.00 WT1 O ATOM 21500 H1 TIP3 7351 57.898 95.247 43.992 1.00 0.00 WT1 H ATOM 21501 H2 TIP3 7351 58.124 93.952 44.744 1.00 0.00 WT1 H ATOM 21502 OH2 TIP3 7352 32.986 0.464 61.575 1.00 0.00 WT1 O ATOM 21503 H1 TIP3 7352 32.070 0.189 61.610 1.00 0.00 WT1 H ATOM 21504 H2 TIP3 7352 33.439 -0.134 62.170 1.00 0.00 WT1 H ATOM 21505 OH2 TIP3 7353 87.693 92.648 14.312 1.00 0.00 WT1 O ATOM 21506 H1 TIP3 7353 87.625 91.806 14.763 1.00 0.00 WT1 H ATOM 21507 H2 TIP3 7353 88.592 92.672 13.984 1.00 0.00 WT1 H ATOM 21508 OH2 TIP3 7354 82.112 35.198 -11.916 1.00 0.00 WT1 O ATOM 21509 H1 TIP3 7354 81.716 35.896 -12.437 1.00 0.00 WT1 H ATOM 21510 H2 TIP3 7354 82.161 35.558 -11.030 1.00 0.00 WT1 H ATOM 21511 OH2 TIP3 7355 83.208 38.939 -18.889 1.00 0.00 WT1 O ATOM 21512 H1 TIP3 7355 83.311 39.477 -18.104 1.00 0.00 WT1 H ATOM 21513 H2 TIP3 7355 82.734 39.499 -19.503 1.00 0.00 WT1 H ATOM 21514 OH2 TIP3 7356 27.081 40.620 63.282 1.00 0.00 WT1 O ATOM 21515 H1 TIP3 7356 27.347 41.339 62.708 1.00 0.00 WT1 H ATOM 21516 H2 TIP3 7356 27.872 40.403 63.776 1.00 0.00 WT1 H ATOM 21517 OH2 TIP3 7357 21.130 85.173 10.602 1.00 0.00 WT1 O ATOM 21518 H1 TIP3 7357 20.488 85.333 11.294 1.00 0.00 WT1 H ATOM 21519 H2 TIP3 7357 21.689 85.950 10.609 1.00 0.00 WT1 H ATOM 21520 OH2 TIP3 7358 83.058 62.386 -2.643 1.00 0.00 WT1 O ATOM 21521 H1 TIP3 7358 83.557 62.515 -1.836 1.00 0.00 WT1 H ATOM 21522 H2 TIP3 7358 83.550 62.865 -3.309 1.00 0.00 WT1 H ATOM 21523 OH2 TIP3 7359 20.652 35.326 17.536 1.00 0.00 WT1 O ATOM 21524 H1 TIP3 7359 21.089 35.488 18.372 1.00 0.00 WT1 H ATOM 21525 H2 TIP3 7359 21.200 34.671 17.103 1.00 0.00 WT1 H ATOM 21526 OH2 TIP3 7360 58.068 21.967 38.084 1.00 0.00 WT1 O ATOM 21527 H1 TIP3 7360 58.186 22.009 37.135 1.00 0.00 WT1 H ATOM 21528 H2 TIP3 7360 58.674 21.283 38.371 1.00 0.00 WT1 H ATOM 21529 OH2 TIP3 7362 35.513 15.956 3.161 1.00 0.00 WT1 O ATOM 21530 H1 TIP3 7362 36.184 15.748 2.511 1.00 0.00 WT1 H ATOM 21531 H2 TIP3 7362 34.800 15.344 2.973 1.00 0.00 WT1 H ATOM 21532 OH2 TIP3 7363 45.527 23.984 -12.550 1.00 0.00 WT1 O ATOM 21533 H1 TIP3 7363 45.874 23.314 -11.961 1.00 0.00 WT1 H ATOM 21534 H2 TIP3 7363 44.807 23.551 -13.008 1.00 0.00 WT1 H ATOM 21535 OH2 TIP3 7364 62.734 45.421 -11.173 1.00 0.00 WT1 O ATOM 21536 H1 TIP3 7364 62.082 46.057 -10.878 1.00 0.00 WT1 H ATOM 21537 H2 TIP3 7364 62.228 44.635 -11.376 1.00 0.00 WT1 H ATOM 21538 OH2 TIP3 7365 59.058 66.455 -10.215 1.00 0.00 WT1 O ATOM 21539 H1 TIP3 7365 58.829 67.070 -9.518 1.00 0.00 WT1 H ATOM 21540 H2 TIP3 7365 58.261 65.942 -10.353 1.00 0.00 WT1 H ATOM 21541 OH2 TIP3 7366 84.504 0.992 0.271 1.00 0.00 WT1 O ATOM 21542 H1 TIP3 7366 84.475 0.399 1.022 1.00 0.00 WT1 H ATOM 21543 H2 TIP3 7366 84.966 0.498 -0.406 1.00 0.00 WT1 H ATOM 21544 OH2 TIP3 7367 73.149 84.778 -5.288 1.00 0.00 WT1 O ATOM 21545 H1 TIP3 7367 73.559 83.921 -5.174 1.00 0.00 WT1 H ATOM 21546 H2 TIP3 7367 72.371 84.604 -5.817 1.00 0.00 WT1 H ATOM 21547 OH2 TIP3 7369 47.067 38.691 11.203 1.00 0.00 WT1 O ATOM 21548 H1 TIP3 7369 47.432 37.819 11.050 1.00 0.00 WT1 H ATOM 21549 H2 TIP3 7369 46.503 38.585 11.969 1.00 0.00 WT1 H ATOM 21550 OH2 TIP3 7370 37.397 62.084 -14.225 1.00 0.00 WT1 O ATOM 21551 H1 TIP3 7370 38.179 62.634 -14.194 1.00 0.00 WT1 H ATOM 21552 H2 TIP3 7370 37.411 61.601 -13.398 1.00 0.00 WT1 H ATOM 21553 OH2 TIP3 7371 24.489 95.086 17.752 1.00 0.00 WT1 O ATOM 21554 H1 TIP3 7371 25.306 95.193 18.237 1.00 0.00 WT1 H ATOM 21555 H2 TIP3 7371 24.611 95.608 16.958 1.00 0.00 WT1 H ATOM 21556 OH2 TIP3 7372 42.985 17.398 43.858 1.00 0.00 WT1 O ATOM 21557 H1 TIP3 7372 43.755 17.866 44.182 1.00 0.00 WT1 H ATOM 21558 H2 TIP3 7372 42.670 17.931 43.128 1.00 0.00 WT1 H ATOM 21559 OH2 TIP3 7373 53.466 23.995 12.946 1.00 0.00 WT1 O ATOM 21560 H1 TIP3 7373 52.687 24.306 12.485 1.00 0.00 WT1 H ATOM 21561 H2 TIP3 7373 53.268 24.130 13.872 1.00 0.00 WT1 H ATOM 21562 OH2 TIP3 7374 57.110 79.417 38.011 1.00 0.00 WT1 O ATOM 21563 H1 TIP3 7374 56.422 79.288 37.358 1.00 0.00 WT1 H ATOM 21564 H2 TIP3 7374 57.595 80.182 37.701 1.00 0.00 WT1 H ATOM 21565 OH2 TIP3 7376 81.125 21.562 -19.313 1.00 0.00 WT1 O ATOM 21566 H1 TIP3 7376 80.295 21.879 -18.956 1.00 0.00 WT1 H ATOM 21567 H2 TIP3 7376 81.659 21.367 -18.543 1.00 0.00 WT1 H ATOM 21568 OH2 TIP3 7378 70.654 94.658 2.872 1.00 0.00 WT1 O ATOM 21569 H1 TIP3 7378 69.877 94.102 2.822 1.00 0.00 WT1 H ATOM 21570 H2 TIP3 7378 70.479 95.249 3.604 1.00 0.00 WT1 H ATOM 21571 OH2 TIP3 7379 58.849 26.178 6.535 1.00 0.00 WT1 O ATOM 21572 H1 TIP3 7379 58.500 27.046 6.738 1.00 0.00 WT1 H ATOM 21573 H2 TIP3 7379 59.689 26.351 6.110 1.00 0.00 WT1 H ATOM 21574 OH2 TIP3 7380 25.396 63.950 58.649 1.00 0.00 WT1 O ATOM 21575 H1 TIP3 7380 25.315 63.386 57.881 1.00 0.00 WT1 H ATOM 21576 H2 TIP3 7380 25.038 64.792 58.368 1.00 0.00 WT1 H ATOM 21577 OH2 TIP3 7381 84.545 41.801 -5.417 1.00 0.00 WT1 O ATOM 21578 H1 TIP3 7381 83.891 42.069 -6.062 1.00 0.00 WT1 H ATOM 21579 H2 TIP3 7381 84.326 40.890 -5.218 1.00 0.00 WT1 H ATOM 21580 OH2 TIP3 7382 55.865 70.702 1.293 1.00 0.00 WT1 O ATOM 21581 H1 TIP3 7382 56.329 69.982 1.721 1.00 0.00 WT1 H ATOM 21582 H2 TIP3 7382 56.117 71.479 1.792 1.00 0.00 WT1 H ATOM 21583 OH2 TIP3 7383 76.439 33.260 43.642 1.00 0.00 WT1 O ATOM 21584 H1 TIP3 7383 76.672 34.173 43.812 1.00 0.00 WT1 H ATOM 21585 H2 TIP3 7383 77.172 32.917 43.130 1.00 0.00 WT1 H ATOM 21586 OH2 TIP3 7384 59.547 55.671 20.523 1.00 0.00 WT1 O ATOM 21587 H1 TIP3 7384 58.755 55.168 20.337 1.00 0.00 WT1 H ATOM 21588 H2 TIP3 7384 59.788 56.060 19.683 1.00 0.00 WT1 H ATOM 21589 OH2 TIP3 7385 25.622 56.873 41.607 1.00 0.00 WT1 O ATOM 21590 H1 TIP3 7385 24.756 56.467 41.605 1.00 0.00 WT1 H ATOM 21591 H2 TIP3 7385 25.758 57.153 40.702 1.00 0.00 WT1 H ATOM 21592 OH2 TIP3 7387 38.383 53.494 46.578 1.00 0.00 WT1 O ATOM 21593 H1 TIP3 7387 38.453 52.541 46.647 1.00 0.00 WT1 H ATOM 21594 H2 TIP3 7387 38.867 53.825 47.335 1.00 0.00 WT1 H ATOM 21595 OH2 TIP3 7388 39.891 20.761 -5.737 1.00 0.00 WT1 O ATOM 21596 H1 TIP3 7388 39.654 21.689 -5.741 1.00 0.00 WT1 H ATOM 21597 H2 TIP3 7388 39.936 20.529 -4.809 1.00 0.00 WT1 H ATOM 21598 OH2 TIP3 7389 23.683 29.122 -15.731 1.00 0.00 WT1 O ATOM 21599 H1 TIP3 7389 22.749 29.331 -15.725 1.00 0.00 WT1 H ATOM 21600 H2 TIP3 7389 23.725 28.203 -15.468 1.00 0.00 WT1 H ATOM 21601 OH2 TIP3 7390 76.722 37.561 33.626 1.00 0.00 WT1 O ATOM 21602 H1 TIP3 7390 77.514 38.098 33.664 1.00 0.00 WT1 H ATOM 21603 H2 TIP3 7390 76.212 37.832 34.389 1.00 0.00 WT1 H ATOM 21604 OH2 TIP3 7391 82.085 49.238 23.557 1.00 0.00 WT1 O ATOM 21605 H1 TIP3 7391 81.849 49.496 24.448 1.00 0.00 WT1 H ATOM 21606 H2 TIP3 7391 81.260 48.953 23.163 1.00 0.00 WT1 H ATOM 21607 OH2 TIP3 7392 22.085 80.184 3.753 1.00 0.00 WT1 O ATOM 21608 H1 TIP3 7392 21.777 80.057 4.651 1.00 0.00 WT1 H ATOM 21609 H2 TIP3 7392 21.362 79.877 3.206 1.00 0.00 WT1 H ATOM 21610 OH2 TIP3 7393 85.087 32.056 3.790 1.00 0.00 WT1 O ATOM 21611 H1 TIP3 7393 85.327 31.228 4.206 1.00 0.00 WT1 H ATOM 21612 H2 TIP3 7393 84.319 32.355 4.276 1.00 0.00 WT1 H ATOM 21613 OH2 TIP3 7394 37.346 31.420 51.158 1.00 0.00 WT1 O ATOM 21614 H1 TIP3 7394 37.520 31.493 50.219 1.00 0.00 WT1 H ATOM 21615 H2 TIP3 7394 36.853 30.604 51.247 1.00 0.00 WT1 H ATOM 21616 OH2 TIP3 7395 26.958 25.551 24.165 1.00 0.00 WT1 O ATOM 21617 H1 TIP3 7395 26.214 25.037 24.478 1.00 0.00 WT1 H ATOM 21618 H2 TIP3 7395 27.040 25.317 23.240 1.00 0.00 WT1 H ATOM 21619 OH2 TIP3 7396 29.252 78.776 13.372 1.00 0.00 WT1 O ATOM 21620 H1 TIP3 7396 29.640 79.613 13.627 1.00 0.00 WT1 H ATOM 21621 H2 TIP3 7396 28.768 78.490 14.147 1.00 0.00 WT1 H ATOM 21622 OH2 TIP3 7397 63.112 7.923 15.818 1.00 0.00 WT1 O ATOM 21623 H1 TIP3 7397 62.705 7.550 16.599 1.00 0.00 WT1 H ATOM 21624 H2 TIP3 7397 62.409 7.944 15.168 1.00 0.00 WT1 H ATOM 21625 OH2 TIP3 7398 75.223 17.955 -14.861 1.00 0.00 WT1 O ATOM 21626 H1 TIP3 7398 75.058 17.483 -15.678 1.00 0.00 WT1 H ATOM 21627 H2 TIP3 7398 75.499 18.828 -15.140 1.00 0.00 WT1 H ATOM 21628 OH2 TIP3 7399 74.247 35.015 -5.379 1.00 0.00 WT1 O ATOM 21629 H1 TIP3 7399 73.786 35.763 -5.759 1.00 0.00 WT1 H ATOM 21630 H2 TIP3 7399 74.305 35.218 -4.445 1.00 0.00 WT1 H ATOM 21631 OH2 TIP3 7400 62.808 62.073 28.567 1.00 0.00 WT1 O ATOM 21632 H1 TIP3 7400 62.480 62.138 29.464 1.00 0.00 WT1 H ATOM 21633 H2 TIP3 7400 62.363 61.308 28.203 1.00 0.00 WT1 H ATOM 21634 OH2 TIP3 7401 60.451 33.272 -3.781 1.00 0.00 WT1 O ATOM 21635 H1 TIP3 7401 60.806 33.972 -3.232 1.00 0.00 WT1 H ATOM 21636 H2 TIP3 7401 59.580 33.104 -3.422 1.00 0.00 WT1 H ATOM 21637 OH2 TIP3 7403 62.947 32.083 -15.827 1.00 0.00 WT1 O ATOM 21638 H1 TIP3 7403 62.691 32.920 -16.214 1.00 0.00 WT1 H ATOM 21639 H2 TIP3 7403 62.120 31.669 -15.581 1.00 0.00 WT1 H ATOM 21640 OH2 TIP3 7408 76.238 54.100 7.909 1.00 0.00 WT1 O ATOM 21641 H1 TIP3 7408 75.662 54.825 7.667 1.00 0.00 WT1 H ATOM 21642 H2 TIP3 7408 76.521 54.305 8.800 1.00 0.00 WT1 H ATOM 21643 OH2 TIP3 7409 64.952 37.890 -9.044 1.00 0.00 WT1 O ATOM 21644 H1 TIP3 7409 65.143 37.021 -9.396 1.00 0.00 WT1 H ATOM 21645 H2 TIP3 7409 64.250 38.225 -9.602 1.00 0.00 WT1 H ATOM 21646 OH2 TIP3 7410 39.534 75.413 -2.026 1.00 0.00 WT1 O ATOM 21647 H1 TIP3 7410 39.245 74.502 -1.975 1.00 0.00 WT1 H ATOM 21648 H2 TIP3 7410 40.418 75.364 -2.390 1.00 0.00 WT1 H ATOM 21649 OH2 TIP3 7411 29.518 61.377 13.456 1.00 0.00 WT1 O ATOM 21650 H1 TIP3 7411 29.781 60.772 14.150 1.00 0.00 WT1 H ATOM 21651 H2 TIP3 7411 28.562 61.399 13.506 1.00 0.00 WT1 H ATOM 21652 OH2 TIP3 7412 84.576 70.942 -15.464 1.00 0.00 WT1 O ATOM 21653 H1 TIP3 7412 84.463 70.732 -14.537 1.00 0.00 WT1 H ATOM 21654 H2 TIP3 7412 84.313 71.860 -15.536 1.00 0.00 WT1 H ATOM 21655 OH2 TIP3 7413 84.072 77.598 24.289 1.00 0.00 WT1 O ATOM 21656 H1 TIP3 7413 83.374 77.155 24.771 1.00 0.00 WT1 H ATOM 21657 H2 TIP3 7413 84.050 77.202 23.417 1.00 0.00 WT1 H ATOM 21658 OH2 TIP3 7414 81.184 54.671 58.393 1.00 0.00 WT1 O ATOM 21659 H1 TIP3 7414 80.816 54.940 57.551 1.00 0.00 WT1 H ATOM 21660 H2 TIP3 7414 81.552 55.474 58.761 1.00 0.00 WT1 H ATOM 21661 OH2 TIP3 7415 72.860 55.249 28.163 1.00 0.00 WT1 O ATOM 21662 H1 TIP3 7415 73.209 55.469 27.300 1.00 0.00 WT1 H ATOM 21663 H2 TIP3 7415 71.914 55.372 28.078 1.00 0.00 WT1 H ATOM 21664 OH2 TIP3 7416 43.321 40.088 52.487 1.00 0.00 WT1 O ATOM 21665 H1 TIP3 7416 43.358 41.003 52.207 1.00 0.00 WT1 H ATOM 21666 H2 TIP3 7416 42.777 39.657 51.828 1.00 0.00 WT1 H ATOM 21667 OH2 TIP3 7417 52.877 1.020 43.303 1.00 0.00 WT1 O ATOM 21668 H1 TIP3 7417 53.078 1.904 42.995 1.00 0.00 WT1 H ATOM 21669 H2 TIP3 7417 52.650 0.535 42.510 1.00 0.00 WT1 H ATOM 21670 OH2 TIP3 7418 35.949 28.582 -13.814 1.00 0.00 WT1 O ATOM 21671 H1 TIP3 7418 36.147 29.273 -14.446 1.00 0.00 WT1 H ATOM 21672 H2 TIP3 7418 36.794 28.373 -13.415 1.00 0.00 WT1 H ATOM 21673 OH2 TIP3 7419 47.069 39.721 20.733 1.00 0.00 WT1 O ATOM 21674 H1 TIP3 7419 47.651 39.669 19.975 1.00 0.00 WT1 H ATOM 21675 H2 TIP3 7419 46.959 40.659 20.888 1.00 0.00 WT1 H ATOM 21676 OH2 TIP3 7420 75.319 64.416 -3.248 1.00 0.00 WT1 O ATOM 21677 H1 TIP3 7420 75.427 65.069 -2.557 1.00 0.00 WT1 H ATOM 21678 H2 TIP3 7420 74.737 63.758 -2.868 1.00 0.00 WT1 H ATOM 21679 OH2 TIP3 7421 85.585 54.512 22.526 1.00 0.00 WT1 O ATOM 21680 H1 TIP3 7421 84.948 54.675 23.222 1.00 0.00 WT1 H ATOM 21681 H2 TIP3 7421 85.085 54.069 21.841 1.00 0.00 WT1 H ATOM 21682 OH2 TIP3 7422 33.541 58.304 -14.217 1.00 0.00 WT1 O ATOM 21683 H1 TIP3 7422 33.740 58.938 -13.528 1.00 0.00 WT1 H ATOM 21684 H2 TIP3 7422 34.350 58.238 -14.724 1.00 0.00 WT1 H ATOM 21685 OH2 TIP3 7423 20.877 93.170 6.630 1.00 0.00 WT1 O ATOM 21686 H1 TIP3 7423 21.637 93.539 7.079 1.00 0.00 WT1 H ATOM 21687 H2 TIP3 7423 20.528 92.522 7.242 1.00 0.00 WT1 H ATOM 21688 OH2 TIP3 7424 73.208 8.725 8.402 1.00 0.00 WT1 O ATOM 21689 H1 TIP3 7424 73.938 8.650 9.018 1.00 0.00 WT1 H ATOM 21690 H2 TIP3 7424 72.433 8.517 8.924 1.00 0.00 WT1 H ATOM 21691 OH2 TIP3 7426 22.426 27.775 27.251 1.00 0.00 WT1 O ATOM 21692 H1 TIP3 7426 21.842 27.166 26.799 1.00 0.00 WT1 H ATOM 21693 H2 TIP3 7426 23.190 27.248 27.484 1.00 0.00 WT1 H ATOM 21694 OH2 TIP3 7427 72.804 49.905 12.321 1.00 0.00 WT1 O ATOM 21695 H1 TIP3 7427 73.582 49.446 12.003 1.00 0.00 WT1 H ATOM 21696 H2 TIP3 7427 72.132 49.225 12.378 1.00 0.00 WT1 H ATOM 21697 OH2 TIP3 7428 21.170 35.138 60.053 1.00 0.00 WT1 O ATOM 21698 H1 TIP3 7428 21.523 35.947 59.681 1.00 0.00 WT1 H ATOM 21699 H2 TIP3 7428 21.710 34.444 59.674 1.00 0.00 WT1 H ATOM 21700 OH2 TIP3 7429 33.836 41.497 39.614 1.00 0.00 WT1 O ATOM 21701 H1 TIP3 7429 34.472 42.188 39.427 1.00 0.00 WT1 H ATOM 21702 H2 TIP3 7429 33.376 41.364 38.784 1.00 0.00 WT1 H ATOM 21703 OH2 TIP3 7430 79.428 70.602 9.037 1.00 0.00 WT1 O ATOM 21704 H1 TIP3 7430 78.987 69.759 8.936 1.00 0.00 WT1 H ATOM 21705 H2 TIP3 7430 79.258 71.061 8.214 1.00 0.00 WT1 H ATOM 21706 OH2 TIP3 7431 47.092 84.474 19.002 1.00 0.00 WT1 O ATOM 21707 H1 TIP3 7431 46.692 84.534 18.135 1.00 0.00 WT1 H ATOM 21708 H2 TIP3 7431 46.816 83.620 19.335 1.00 0.00 WT1 H ATOM 21709 OH2 TIP3 7432 24.684 12.077 5.237 1.00 0.00 WT1 O ATOM 21710 H1 TIP3 7432 25.455 11.690 4.822 1.00 0.00 WT1 H ATOM 21711 H2 TIP3 7432 24.618 11.633 6.082 1.00 0.00 WT1 H ATOM 21712 OH2 TIP3 7433 29.507 66.957 7.110 1.00 0.00 WT1 O ATOM 21713 H1 TIP3 7433 30.158 66.386 7.518 1.00 0.00 WT1 H ATOM 21714 H2 TIP3 7433 28.705 66.803 7.610 1.00 0.00 WT1 H ATOM 21715 OH2 TIP3 7434 51.925 44.291 -10.975 1.00 0.00 WT1 O ATOM 21716 H1 TIP3 7434 52.365 44.956 -11.505 1.00 0.00 WT1 H ATOM 21717 H2 TIP3 7434 51.535 43.695 -11.615 1.00 0.00 WT1 H ATOM 21718 OH2 TIP3 7435 46.657 91.557 4.826 1.00 0.00 WT1 O ATOM 21719 H1 TIP3 7435 46.848 92.382 4.380 1.00 0.00 WT1 H ATOM 21720 H2 TIP3 7435 47.206 91.574 5.610 1.00 0.00 WT1 H ATOM 21721 OH2 TIP3 7436 53.130 7.687 40.669 1.00 0.00 WT1 O ATOM 21722 H1 TIP3 7436 53.557 6.877 40.949 1.00 0.00 WT1 H ATOM 21723 H2 TIP3 7436 53.853 8.275 40.449 1.00 0.00 WT1 H ATOM 21724 OH2 TIP3 7437 35.123 11.127 -0.866 1.00 0.00 WT1 O ATOM 21725 H1 TIP3 7437 35.830 10.883 -1.464 1.00 0.00 WT1 H ATOM 21726 H2 TIP3 7437 34.323 11.012 -1.379 1.00 0.00 WT1 H ATOM 21727 OH2 TIP3 7439 28.237 21.664 -7.679 1.00 0.00 WT1 O ATOM 21728 H1 TIP3 7439 27.701 21.031 -8.156 1.00 0.00 WT1 H ATOM 21729 H2 TIP3 7439 27.799 21.759 -6.833 1.00 0.00 WT1 H ATOM 21730 OH2 TIP3 7440 68.050 70.904 -11.509 1.00 0.00 WT1 O ATOM 21731 H1 TIP3 7440 68.246 70.999 -12.441 1.00 0.00 WT1 H ATOM 21732 H2 TIP3 7440 68.701 70.280 -11.189 1.00 0.00 WT1 H ATOM 21733 OH2 TIP3 7441 83.590 34.947 12.173 1.00 0.00 WT1 O ATOM 21734 H1 TIP3 7441 83.701 33.997 12.220 1.00 0.00 WT1 H ATOM 21735 H2 TIP3 7441 83.512 35.225 13.085 1.00 0.00 WT1 H ATOM 21736 OH2 TIP3 7442 54.101 80.875 13.502 1.00 0.00 WT1 O ATOM 21737 H1 TIP3 7442 54.864 81.185 13.990 1.00 0.00 WT1 H ATOM 21738 H2 TIP3 7442 54.416 80.776 12.603 1.00 0.00 WT1 H ATOM 21739 OH2 TIP3 7443 49.491 29.212 -14.902 1.00 0.00 WT1 O ATOM 21740 H1 TIP3 7443 49.241 28.696 -14.136 1.00 0.00 WT1 H ATOM 21741 H2 TIP3 7443 50.388 28.940 -15.093 1.00 0.00 WT1 H ATOM 21742 OH2 TIP3 7445 69.580 51.971 1.975 1.00 0.00 WT1 O ATOM 21743 H1 TIP3 7445 69.443 52.699 2.581 1.00 0.00 WT1 H ATOM 21744 H2 TIP3 7445 69.350 51.191 2.480 1.00 0.00 WT1 H ATOM 21745 OH2 TIP3 7447 39.805 3.333 -14.551 1.00 0.00 WT1 O ATOM 21746 H1 TIP3 7447 39.356 3.287 -13.707 1.00 0.00 WT1 H ATOM 21747 H2 TIP3 7447 39.163 3.726 -15.144 1.00 0.00 WT1 H ATOM 21748 OH2 TIP3 7448 73.097 65.039 30.287 1.00 0.00 WT1 O ATOM 21749 H1 TIP3 7448 72.203 65.198 30.588 1.00 0.00 WT1 H ATOM 21750 H2 TIP3 7448 72.999 64.424 29.560 1.00 0.00 WT1 H ATOM 21751 OH2 TIP3 7450 44.962 80.366 33.829 1.00 0.00 WT1 O ATOM 21752 H1 TIP3 7450 45.216 79.457 33.672 1.00 0.00 WT1 H ATOM 21753 H2 TIP3 7450 44.040 80.405 33.575 1.00 0.00 WT1 H ATOM 21754 OH2 TIP3 7451 22.426 14.994 33.362 1.00 0.00 WT1 O ATOM 21755 H1 TIP3 7451 22.929 15.135 34.165 1.00 0.00 WT1 H ATOM 21756 H2 TIP3 7451 21.755 14.357 33.608 1.00 0.00 WT1 H ATOM 21757 OH2 TIP3 7452 61.338 75.549 39.891 1.00 0.00 WT1 O ATOM 21758 H1 TIP3 7452 61.496 75.590 40.834 1.00 0.00 WT1 H ATOM 21759 H2 TIP3 7452 60.603 74.943 39.797 1.00 0.00 WT1 H ATOM 21760 OH2 TIP3 7454 71.290 55.133 47.940 1.00 0.00 WT1 O ATOM 21761 H1 TIP3 7454 70.498 54.885 48.418 1.00 0.00 WT1 H ATOM 21762 H2 TIP3 7454 71.002 55.227 47.032 1.00 0.00 WT1 H ATOM 21763 OH2 TIP3 7455 36.024 75.530 -17.857 1.00 0.00 WT1 O ATOM 21764 H1 TIP3 7455 36.197 75.008 -18.640 1.00 0.00 WT1 H ATOM 21765 H2 TIP3 7455 36.018 74.894 -17.141 1.00 0.00 WT1 H ATOM 21766 OH2 TIP3 7456 51.118 93.112 10.654 1.00 0.00 WT1 O ATOM 21767 H1 TIP3 7456 50.973 93.939 10.195 1.00 0.00 WT1 H ATOM 21768 H2 TIP3 7456 51.252 93.365 11.567 1.00 0.00 WT1 H ATOM 21769 OH2 TIP3 7457 63.278 81.513 60.964 1.00 0.00 WT1 O ATOM 21770 H1 TIP3 7457 63.293 81.494 60.008 1.00 0.00 WT1 H ATOM 21771 H2 TIP3 7457 63.371 82.439 61.188 1.00 0.00 WT1 H ATOM 21772 OH2 TIP3 7458 84.840 69.953 50.999 1.00 0.00 WT1 O ATOM 21773 H1 TIP3 7458 83.980 69.536 51.061 1.00 0.00 WT1 H ATOM 21774 H2 TIP3 7458 85.433 69.244 50.752 1.00 0.00 WT1 H ATOM 21775 OH2 TIP3 7459 88.891 77.054 52.370 1.00 0.00 WT1 O ATOM 21776 H1 TIP3 7459 89.774 77.210 52.705 1.00 0.00 WT1 H ATOM 21777 H2 TIP3 7459 88.939 77.294 51.445 1.00 0.00 WT1 H ATOM 21778 OH2 TIP3 7461 60.194 41.033 51.949 1.00 0.00 WT1 O ATOM 21779 H1 TIP3 7461 59.267 41.077 51.716 1.00 0.00 WT1 H ATOM 21780 H2 TIP3 7461 60.200 40.701 52.847 1.00 0.00 WT1 H ATOM 21781 OH2 TIP3 7462 25.767 44.489 29.906 1.00 0.00 WT1 O ATOM 21782 H1 TIP3 7462 24.850 44.758 29.852 1.00 0.00 WT1 H ATOM 21783 H2 TIP3 7462 26.224 45.069 29.296 1.00 0.00 WT1 H ATOM 21784 OH2 TIP3 7463 25.681 29.589 37.494 1.00 0.00 WT1 O ATOM 21785 H1 TIP3 7463 24.855 29.129 37.346 1.00 0.00 WT1 H ATOM 21786 H2 TIP3 7463 26.346 29.017 37.109 1.00 0.00 WT1 H ATOM 21787 OH2 TIP3 7464 45.511 44.137 -15.128 1.00 0.00 WT1 O ATOM 21788 H1 TIP3 7464 45.800 44.400 -16.002 1.00 0.00 WT1 H ATOM 21789 H2 TIP3 7464 45.593 44.931 -14.599 1.00 0.00 WT1 H ATOM 21790 OH2 TIP3 7465 45.290 74.811 54.813 1.00 0.00 WT1 O ATOM 21791 H1 TIP3 7465 44.786 74.471 54.074 1.00 0.00 WT1 H ATOM 21792 H2 TIP3 7465 44.846 75.624 55.053 1.00 0.00 WT1 H ATOM 21793 OH2 TIP3 7466 60.698 65.637 28.714 1.00 0.00 WT1 O ATOM 21794 H1 TIP3 7466 59.823 66.025 28.711 1.00 0.00 WT1 H ATOM 21795 H2 TIP3 7466 60.610 64.844 28.186 1.00 0.00 WT1 H ATOM 21796 OH2 TIP3 7467 46.778 43.933 57.780 1.00 0.00 WT1 O ATOM 21797 H1 TIP3 7467 46.288 44.494 57.179 1.00 0.00 WT1 H ATOM 21798 H2 TIP3 7467 47.164 44.538 58.413 1.00 0.00 WT1 H ATOM 21799 OH2 TIP3 7468 21.858 43.388 47.491 1.00 0.00 WT1 O ATOM 21800 H1 TIP3 7468 22.498 43.697 46.851 1.00 0.00 WT1 H ATOM 21801 H2 TIP3 7468 22.386 43.056 48.218 1.00 0.00 WT1 H ATOM 21802 OH2 TIP3 7469 80.477 67.931 53.678 1.00 0.00 WT1 O ATOM 21803 H1 TIP3 7469 80.726 68.051 54.594 1.00 0.00 WT1 H ATOM 21804 H2 TIP3 7469 80.000 68.730 53.452 1.00 0.00 WT1 H ATOM 21805 OH2 TIP3 7470 82.172 66.876 -14.638 1.00 0.00 WT1 O ATOM 21806 H1 TIP3 7470 82.416 66.469 -13.807 1.00 0.00 WT1 H ATOM 21807 H2 TIP3 7470 81.997 67.790 -14.415 1.00 0.00 WT1 H ATOM 21808 OH2 TIP3 7471 37.518 48.042 6.410 1.00 0.00 WT1 O ATOM 21809 H1 TIP3 7471 36.865 47.417 6.724 1.00 0.00 WT1 H ATOM 21810 H2 TIP3 7471 38.114 47.518 5.875 1.00 0.00 WT1 H ATOM 21811 OH2 TIP3 7472 25.087 31.022 35.122 1.00 0.00 WT1 O ATOM 21812 H1 TIP3 7472 24.775 31.919 35.238 1.00 0.00 WT1 H ATOM 21813 H2 TIP3 7472 25.268 30.714 36.010 1.00 0.00 WT1 H ATOM 21814 OH2 TIP3 7473 69.227 25.280 25.635 1.00 0.00 WT1 O ATOM 21815 H1 TIP3 7473 69.874 25.914 25.943 1.00 0.00 WT1 H ATOM 21816 H2 TIP3 7473 68.415 25.782 25.564 1.00 0.00 WT1 H ATOM 21817 OH2 TIP3 7474 66.500 18.336 53.664 1.00 0.00 WT1 O ATOM 21818 H1 TIP3 7474 65.890 17.787 53.171 1.00 0.00 WT1 H ATOM 21819 H2 TIP3 7474 67.365 17.991 53.444 1.00 0.00 WT1 H ATOM 21820 OH2 TIP3 7475 90.628 42.234 5.556 1.00 0.00 WT1 O ATOM 21821 H1 TIP3 7475 90.864 42.579 4.695 1.00 0.00 WT1 H ATOM 21822 H2 TIP3 7475 89.759 41.853 5.432 1.00 0.00 WT1 H ATOM 21823 OH2 TIP3 7476 63.819 71.504 43.856 1.00 0.00 WT1 O ATOM 21824 H1 TIP3 7476 64.605 71.359 43.330 1.00 0.00 WT1 H ATOM 21825 H2 TIP3 7476 63.908 72.400 44.180 1.00 0.00 WT1 H ATOM 21826 OH2 TIP3 7477 67.291 22.525 -8.755 1.00 0.00 WT1 O ATOM 21827 H1 TIP3 7477 68.232 22.650 -8.877 1.00 0.00 WT1 H ATOM 21828 H2 TIP3 7477 67.040 23.199 -8.123 1.00 0.00 WT1 H ATOM 21829 OH2 TIP3 7478 84.059 67.560 11.159 1.00 0.00 WT1 O ATOM 21830 H1 TIP3 7478 83.675 67.486 12.033 1.00 0.00 WT1 H ATOM 21831 H2 TIP3 7478 83.377 67.977 10.632 1.00 0.00 WT1 H ATOM 21832 OH2 TIP3 7479 45.076 87.253 40.417 1.00 0.00 WT1 O ATOM 21833 H1 TIP3 7479 44.792 87.254 41.332 1.00 0.00 WT1 H ATOM 21834 H2 TIP3 7479 45.979 86.935 40.447 1.00 0.00 WT1 H ATOM 21835 OH2 TIP3 7480 30.902 66.756 -13.325 1.00 0.00 WT1 O ATOM 21836 H1 TIP3 7480 31.112 65.823 -13.338 1.00 0.00 WT1 H ATOM 21837 H2 TIP3 7480 31.490 67.144 -13.973 1.00 0.00 WT1 H ATOM 21838 OH2 TIP3 7481 53.205 96.045 48.811 1.00 0.00 WT1 O ATOM 21839 H1 TIP3 7481 53.814 96.778 48.717 1.00 0.00 WT1 H ATOM 21840 H2 TIP3 7481 52.363 96.394 48.520 1.00 0.00 WT1 H ATOM 21841 OH2 TIP3 7483 76.162 16.922 8.721 1.00 0.00 WT1 O ATOM 21842 H1 TIP3 7483 75.610 17.085 7.956 1.00 0.00 WT1 H ATOM 21843 H2 TIP3 7483 75.639 17.223 9.464 1.00 0.00 WT1 H ATOM 21844 OH2 TIP3 7485 51.262 11.191 7.517 1.00 0.00 WT1 O ATOM 21845 H1 TIP3 7485 50.697 10.604 8.020 1.00 0.00 WT1 H ATOM 21846 H2 TIP3 7485 51.250 12.013 8.007 1.00 0.00 WT1 H ATOM 21847 OH2 TIP3 7486 23.318 88.580 23.347 1.00 0.00 WT1 O ATOM 21848 H1 TIP3 7486 23.843 88.844 22.591 1.00 0.00 WT1 H ATOM 21849 H2 TIP3 7486 22.450 88.944 23.175 1.00 0.00 WT1 H ATOM 21850 OH2 TIP3 7487 63.692 79.804 4.286 1.00 0.00 WT1 O ATOM 21851 H1 TIP3 7487 62.926 80.073 4.792 1.00 0.00 WT1 H ATOM 21852 H2 TIP3 7487 63.753 78.859 4.425 1.00 0.00 WT1 H ATOM 21853 OH2 TIP3 7489 25.444 82.635 7.617 1.00 0.00 WT1 O ATOM 21854 H1 TIP3 7489 24.946 82.324 8.373 1.00 0.00 WT1 H ATOM 21855 H2 TIP3 7489 25.533 81.865 7.056 1.00 0.00 WT1 H ATOM 21856 OH2 TIP3 7490 30.283 83.951 63.640 1.00 0.00 WT1 O ATOM 21857 H1 TIP3 7490 29.404 83.992 63.262 1.00 0.00 WT1 H ATOM 21858 H2 TIP3 7490 30.523 84.866 63.788 1.00 0.00 WT1 H ATOM 21859 OH2 TIP3 7491 72.857 75.968 -10.491 1.00 0.00 WT1 O ATOM 21860 H1 TIP3 7491 72.110 76.521 -10.719 1.00 0.00 WT1 H ATOM 21861 H2 TIP3 7491 72.588 75.521 -9.688 1.00 0.00 WT1 H ATOM 21862 OH2 TIP3 7492 80.878 50.802 14.975 1.00 0.00 WT1 O ATOM 21863 H1 TIP3 7492 80.331 51.295 14.364 1.00 0.00 WT1 H ATOM 21864 H2 TIP3 7492 80.967 49.937 14.574 1.00 0.00 WT1 H ATOM 21865 OH2 TIP3 7493 89.684 86.245 32.089 1.00 0.00 WT1 O ATOM 21866 H1 TIP3 7493 89.481 85.770 31.284 1.00 0.00 WT1 H ATOM 21867 H2 TIP3 7493 89.034 86.948 32.123 1.00 0.00 WT1 H ATOM 21868 OH2 TIP3 7494 76.018 15.618 62.406 1.00 0.00 WT1 O ATOM 21869 H1 TIP3 7494 76.764 15.853 62.958 1.00 0.00 WT1 H ATOM 21870 H2 TIP3 7494 76.012 14.661 62.407 1.00 0.00 WT1 H ATOM 21871 OH2 TIP3 7495 64.282 6.051 -11.067 1.00 0.00 WT1 O ATOM 21872 H1 TIP3 7495 64.212 5.191 -10.652 1.00 0.00 WT1 H ATOM 21873 H2 TIP3 7495 63.668 6.602 -10.582 1.00 0.00 WT1 H ATOM 21874 OH2 TIP3 7496 53.075 12.928 63.909 1.00 0.00 WT1 O ATOM 21875 H1 TIP3 7496 53.174 13.767 63.458 1.00 0.00 WT1 H ATOM 21876 H2 TIP3 7496 52.512 13.123 64.658 1.00 0.00 WT1 H ATOM 21877 OH2 TIP3 7497 67.635 78.328 33.680 1.00 0.00 WT1 O ATOM 21878 H1 TIP3 7497 66.711 78.250 33.917 1.00 0.00 WT1 H ATOM 21879 H2 TIP3 7497 67.643 78.939 32.943 1.00 0.00 WT1 H ATOM 21880 OH2 TIP3 7498 21.345 89.170 9.909 1.00 0.00 WT1 O ATOM 21881 H1 TIP3 7498 20.570 88.850 10.371 1.00 0.00 WT1 H ATOM 21882 H2 TIP3 7498 22.081 88.758 10.362 1.00 0.00 WT1 H ATOM 21883 OH2 TIP3 7499 69.185 66.946 9.258 1.00 0.00 WT1 O ATOM 21884 H1 TIP3 7499 69.315 66.006 9.383 1.00 0.00 WT1 H ATOM 21885 H2 TIP3 7499 68.360 67.135 9.705 1.00 0.00 WT1 H ATOM 21886 OH2 TIP3 7500 30.172 94.200 40.057 1.00 0.00 WT1 O ATOM 21887 H1 TIP3 7500 30.039 93.258 40.162 1.00 0.00 WT1 H ATOM 21888 H2 TIP3 7500 30.846 94.420 40.701 1.00 0.00 WT1 H ATOM 21889 OH2 TIP3 7501 79.246 65.841 2.681 1.00 0.00 WT1 O ATOM 21890 H1 TIP3 7501 79.393 66.584 2.096 1.00 0.00 WT1 H ATOM 21891 H2 TIP3 7501 78.543 65.343 2.266 1.00 0.00 WT1 H ATOM 21892 OH2 TIP3 7502 71.063 76.453 -1.328 1.00 0.00 WT1 O ATOM 21893 H1 TIP3 7502 70.268 76.270 -0.828 1.00 0.00 WT1 H ATOM 21894 H2 TIP3 7502 71.775 76.330 -0.700 1.00 0.00 WT1 H ATOM 21895 OH2 TIP3 7503 44.883 85.313 36.938 1.00 0.00 WT1 O ATOM 21896 H1 TIP3 7503 44.365 85.007 36.194 1.00 0.00 WT1 H ATOM 21897 H2 TIP3 7503 45.474 84.587 37.135 1.00 0.00 WT1 H ATOM 21898 OH2 TIP3 7504 55.288 27.310 21.124 1.00 0.00 WT1 O ATOM 21899 H1 TIP3 7504 56.044 27.575 21.648 1.00 0.00 WT1 H ATOM 21900 H2 TIP3 7504 55.240 27.962 20.425 1.00 0.00 WT1 H ATOM 21901 OH2 TIP3 7505 54.967 48.096 -17.545 1.00 0.00 WT1 O ATOM 21902 H1 TIP3 7505 55.790 48.161 -17.060 1.00 0.00 WT1 H ATOM 21903 H2 TIP3 7505 54.320 48.514 -16.978 1.00 0.00 WT1 H ATOM 21904 OH2 TIP3 7506 57.263 91.009 48.194 1.00 0.00 WT1 O ATOM 21905 H1 TIP3 7506 57.889 90.955 47.472 1.00 0.00 WT1 H ATOM 21906 H2 TIP3 7506 57.169 90.106 48.499 1.00 0.00 WT1 H ATOM 21907 OH2 TIP3 7507 22.200 94.968 13.975 1.00 0.00 WT1 O ATOM 21908 H1 TIP3 7507 22.078 94.168 14.486 1.00 0.00 WT1 H ATOM 21909 H2 TIP3 7507 22.120 94.686 13.064 1.00 0.00 WT1 H ATOM 21910 OH2 TIP3 7508 56.829 4.192 17.761 1.00 0.00 WT1 O ATOM 21911 H1 TIP3 7508 56.210 3.916 17.085 1.00 0.00 WT1 H ATOM 21912 H2 TIP3 7508 56.277 4.497 18.482 1.00 0.00 WT1 H ATOM 21913 OH2 TIP3 7509 65.959 53.871 10.734 1.00 0.00 WT1 O ATOM 21914 H1 TIP3 7509 66.252 54.584 11.302 1.00 0.00 WT1 H ATOM 21915 H2 TIP3 7509 65.203 53.498 11.188 1.00 0.00 WT1 H ATOM 21916 OH2 TIP3 7510 27.121 70.533 -11.933 1.00 0.00 WT1 O ATOM 21917 H1 TIP3 7510 27.955 70.851 -12.278 1.00 0.00 WT1 H ATOM 21918 H2 TIP3 7510 27.344 70.139 -11.090 1.00 0.00 WT1 H ATOM 21919 OH2 TIP3 7511 35.166 78.999 48.230 1.00 0.00 WT1 O ATOM 21920 H1 TIP3 7511 34.683 79.151 49.042 1.00 0.00 WT1 H ATOM 21921 H2 TIP3 7511 35.738 79.761 48.144 1.00 0.00 WT1 H ATOM 21922 OH2 TIP3 7512 66.111 62.865 33.011 1.00 0.00 WT1 O ATOM 21923 H1 TIP3 7512 66.897 63.411 33.010 1.00 0.00 WT1 H ATOM 21924 H2 TIP3 7512 65.632 63.131 32.227 1.00 0.00 WT1 H ATOM 21925 OH2 TIP3 7513 48.312 85.653 54.506 1.00 0.00 WT1 O ATOM 21926 H1 TIP3 7513 48.733 84.905 54.929 1.00 0.00 WT1 H ATOM 21927 H2 TIP3 7513 48.735 85.713 53.649 1.00 0.00 WT1 H ATOM 21928 OH2 TIP3 7514 21.335 49.206 55.287 1.00 0.00 WT1 O ATOM 21929 H1 TIP3 7514 20.844 48.911 54.520 1.00 0.00 WT1 H ATOM 21930 H2 TIP3 7514 20.754 49.028 56.026 1.00 0.00 WT1 H ATOM 21931 OH2 TIP3 7515 23.257 56.823 13.511 1.00 0.00 WT1 O ATOM 21932 H1 TIP3 7515 23.669 57.350 14.195 1.00 0.00 WT1 H ATOM 21933 H2 TIP3 7515 22.462 57.306 13.283 1.00 0.00 WT1 H ATOM 21934 OH2 TIP3 7516 37.212 89.437 -16.191 1.00 0.00 WT1 O ATOM 21935 H1 TIP3 7516 37.646 89.712 -16.998 1.00 0.00 WT1 H ATOM 21936 H2 TIP3 7516 37.926 89.166 -15.615 1.00 0.00 WT1 H ATOM 21937 OH2 TIP3 7517 45.935 35.474 56.332 1.00 0.00 WT1 O ATOM 21938 H1 TIP3 7517 46.486 36.102 56.800 1.00 0.00 WT1 H ATOM 21939 H2 TIP3 7517 45.600 34.893 57.016 1.00 0.00 WT1 H ATOM 21940 OH2 TIP3 7518 67.682 42.687 38.286 1.00 0.00 WT1 O ATOM 21941 H1 TIP3 7518 68.069 43.500 37.961 1.00 0.00 WT1 H ATOM 21942 H2 TIP3 7518 67.789 42.733 39.236 1.00 0.00 WT1 H ATOM 21943 OH2 TIP3 7519 84.648 6.516 -6.361 1.00 0.00 WT1 O ATOM 21944 H1 TIP3 7519 84.233 5.735 -5.996 1.00 0.00 WT1 H ATOM 21945 H2 TIP3 7519 84.036 6.822 -7.030 1.00 0.00 WT1 H ATOM 21946 OH2 TIP3 7520 87.069 92.723 26.726 1.00 0.00 WT1 O ATOM 21947 H1 TIP3 7520 86.466 93.449 26.889 1.00 0.00 WT1 H ATOM 21948 H2 TIP3 7520 86.510 92.011 26.417 1.00 0.00 WT1 H ATOM 21949 OH2 TIP3 7521 58.279 51.820 50.630 1.00 0.00 WT1 O ATOM 21950 H1 TIP3 7521 58.096 52.752 50.508 1.00 0.00 WT1 H ATOM 21951 H2 TIP3 7521 58.525 51.742 51.551 1.00 0.00 WT1 H ATOM 21952 OH2 TIP3 7522 84.827 45.973 -14.891 1.00 0.00 WT1 O ATOM 21953 H1 TIP3 7522 84.074 46.275 -15.399 1.00 0.00 WT1 H ATOM 21954 H2 TIP3 7522 85.570 46.060 -15.489 1.00 0.00 WT1 H ATOM 21955 OH2 TIP3 7523 40.120 29.008 0.077 1.00 0.00 WT1 O ATOM 21956 H1 TIP3 7523 40.830 29.049 -0.564 1.00 0.00 WT1 H ATOM 21957 H2 TIP3 7523 39.329 29.186 -0.431 1.00 0.00 WT1 H ATOM 21958 OH2 TIP3 7524 62.732 65.272 66.690 1.00 0.00 WT1 O ATOM 21959 H1 TIP3 7524 63.641 65.500 66.882 1.00 0.00 WT1 H ATOM 21960 H2 TIP3 7524 62.365 65.017 67.536 1.00 0.00 WT1 H ATOM 21961 OH2 TIP3 7525 64.082 22.695 11.349 1.00 0.00 WT1 O ATOM 21962 H1 TIP3 7525 63.313 22.640 11.915 1.00 0.00 WT1 H ATOM 21963 H2 TIP3 7525 63.810 22.277 10.532 1.00 0.00 WT1 H ATOM 21964 OH2 TIP3 7526 20.619 28.543 48.838 1.00 0.00 WT1 O ATOM 21965 H1 TIP3 7526 20.826 28.320 47.931 1.00 0.00 WT1 H ATOM 21966 H2 TIP3 7526 21.179 29.293 49.035 1.00 0.00 WT1 H ATOM 21967 OH2 TIP3 7527 73.295 92.609 31.696 1.00 0.00 WT1 O ATOM 21968 H1 TIP3 7527 73.146 93.274 31.024 1.00 0.00 WT1 H ATOM 21969 H2 TIP3 7527 72.419 92.299 31.925 1.00 0.00 WT1 H ATOM 21970 OH2 TIP3 7529 30.017 25.638 6.693 1.00 0.00 WT1 O ATOM 21971 H1 TIP3 7529 30.162 24.743 6.999 1.00 0.00 WT1 H ATOM 21972 H2 TIP3 7529 30.835 25.879 6.258 1.00 0.00 WT1 H ATOM 21973 OH2 TIP3 7530 36.243 9.698 -3.250 1.00 0.00 WT1 O ATOM 21974 H1 TIP3 7530 36.294 10.140 -4.098 1.00 0.00 WT1 H ATOM 21975 H2 TIP3 7530 36.504 8.796 -3.433 1.00 0.00 WT1 H ATOM 21976 OH2 TIP3 7531 67.940 91.967 22.001 1.00 0.00 WT1 O ATOM 21977 H1 TIP3 7531 67.661 92.307 21.150 1.00 0.00 WT1 H ATOM 21978 H2 TIP3 7531 68.870 91.771 21.888 1.00 0.00 WT1 H ATOM 21979 OH2 TIP3 7532 40.565 78.766 -1.182 1.00 0.00 WT1 O ATOM 21980 H1 TIP3 7532 40.468 79.154 -0.313 1.00 0.00 WT1 H ATOM 21981 H2 TIP3 7532 41.384 78.273 -1.135 1.00 0.00 WT1 H ATOM 21982 OH2 TIP3 7534 76.622 35.222 37.009 1.00 0.00 WT1 O ATOM 21983 H1 TIP3 7534 76.270 35.928 37.551 1.00 0.00 WT1 H ATOM 21984 H2 TIP3 7534 77.425 34.954 37.456 1.00 0.00 WT1 H ATOM 21985 OH2 TIP3 7535 21.581 63.143 21.748 1.00 0.00 WT1 O ATOM 21986 H1 TIP3 7535 21.428 62.388 21.180 1.00 0.00 WT1 H ATOM 21987 H2 TIP3 7535 22.396 63.525 21.424 1.00 0.00 WT1 H ATOM 21988 OH2 TIP3 7536 72.034 35.282 42.052 1.00 0.00 WT1 O ATOM 21989 H1 TIP3 7536 72.233 35.507 42.960 1.00 0.00 WT1 H ATOM 21990 H2 TIP3 7536 72.385 34.398 41.941 1.00 0.00 WT1 H ATOM 21991 OH2 TIP3 7537 68.139 25.657 -17.737 1.00 0.00 WT1 O ATOM 21992 H1 TIP3 7537 67.984 24.720 -17.620 1.00 0.00 WT1 H ATOM 21993 H2 TIP3 7537 67.781 25.854 -18.603 1.00 0.00 WT1 H ATOM 21994 OH2 TIP3 7538 51.423 93.508 25.934 1.00 0.00 WT1 O ATOM 21995 H1 TIP3 7538 50.537 93.863 25.998 1.00 0.00 WT1 H ATOM 21996 H2 TIP3 7538 51.995 94.269 26.031 1.00 0.00 WT1 H ATOM 21997 OH2 TIP3 7539 63.606 87.086 31.854 1.00 0.00 WT1 O ATOM 21998 H1 TIP3 7539 63.003 86.388 32.112 1.00 0.00 WT1 H ATOM 21999 H2 TIP3 7539 63.867 86.859 30.962 1.00 0.00 WT1 H ATOM 22000 OH2 TIP3 7540 71.298 81.208 27.390 1.00 0.00 WT1 O ATOM 22001 H1 TIP3 7540 71.943 80.990 26.717 1.00 0.00 WT1 H ATOM 22002 H2 TIP3 7540 71.139 80.383 27.847 1.00 0.00 WT1 H ATOM 22003 OH2 TIP3 7541 79.956 48.676 46.012 1.00 0.00 WT1 O ATOM 22004 H1 TIP3 7541 79.367 49.234 45.505 1.00 0.00 WT1 H ATOM 22005 H2 TIP3 7541 79.682 47.783 45.801 1.00 0.00 WT1 H ATOM 22006 OH2 TIP3 7542 32.709 76.384 -8.910 1.00 0.00 WT1 O ATOM 22007 H1 TIP3 7542 32.061 77.053 -8.685 1.00 0.00 WT1 H ATOM 22008 H2 TIP3 7542 32.587 76.239 -9.848 1.00 0.00 WT1 H ATOM 22009 OH2 TIP3 7543 50.495 71.777 9.231 1.00 0.00 WT1 O ATOM 22010 H1 TIP3 7543 50.306 70.839 9.216 1.00 0.00 WT1 H ATOM 22011 H2 TIP3 7543 51.424 71.831 9.456 1.00 0.00 WT1 H ATOM 22012 OH2 TIP3 7544 82.718 19.037 56.834 1.00 0.00 WT1 O ATOM 22013 H1 TIP3 7544 82.371 18.581 56.067 1.00 0.00 WT1 H ATOM 22014 H2 TIP3 7544 82.078 18.865 57.525 1.00 0.00 WT1 H ATOM 22015 OH2 TIP3 7545 82.999 72.274 43.368 1.00 0.00 WT1 O ATOM 22016 H1 TIP3 7545 83.002 71.952 42.466 1.00 0.00 WT1 H ATOM 22017 H2 TIP3 7545 83.149 73.216 43.286 1.00 0.00 WT1 H ATOM 22018 OH2 TIP3 7546 75.392 48.416 -1.380 1.00 0.00 WT1 O ATOM 22019 H1 TIP3 7546 74.550 48.868 -1.327 1.00 0.00 WT1 H ATOM 22020 H2 TIP3 7546 75.462 47.942 -0.551 1.00 0.00 WT1 H ATOM 22021 OH2 TIP3 7547 51.543 48.286 40.667 1.00 0.00 WT1 O ATOM 22022 H1 TIP3 7547 51.914 47.405 40.718 1.00 0.00 WT1 H ATOM 22023 H2 TIP3 7547 50.626 48.174 40.918 1.00 0.00 WT1 H ATOM 22024 OH2 TIP3 7548 67.597 63.233 30.370 1.00 0.00 WT1 O ATOM 22025 H1 TIP3 7548 66.684 63.072 30.610 1.00 0.00 WT1 H ATOM 22026 H2 TIP3 7548 67.547 63.824 29.619 1.00 0.00 WT1 H ATOM 22027 OH2 TIP3 7549 67.722 46.212 5.722 1.00 0.00 WT1 O ATOM 22028 H1 TIP3 7549 67.154 45.444 5.658 1.00 0.00 WT1 H ATOM 22029 H2 TIP3 7549 67.206 46.852 6.211 1.00 0.00 WT1 H ATOM 22030 OH2 TIP3 7550 89.696 27.250 54.255 1.00 0.00 WT1 O ATOM 22031 H1 TIP3 7550 89.915 26.566 53.622 1.00 0.00 WT1 H ATOM 22032 H2 TIP3 7550 89.078 26.833 54.855 1.00 0.00 WT1 H ATOM 22033 OH2 TIP3 7551 27.145 91.126 24.884 1.00 0.00 WT1 O ATOM 22034 H1 TIP3 7551 26.192 91.136 24.980 1.00 0.00 WT1 H ATOM 22035 H2 TIP3 7551 27.411 90.272 25.225 1.00 0.00 WT1 H ATOM 22036 OH2 TIP3 7552 90.603 70.990 27.392 1.00 0.00 WT1 O ATOM 22037 H1 TIP3 7552 90.260 71.107 28.278 1.00 0.00 WT1 H ATOM 22038 H2 TIP3 7552 90.069 70.289 27.018 1.00 0.00 WT1 H ATOM 22039 OH2 TIP3 7553 36.217 91.631 63.124 1.00 0.00 WT1 O ATOM 22040 H1 TIP3 7553 35.263 91.630 63.051 1.00 0.00 WT1 H ATOM 22041 H2 TIP3 7553 36.474 90.731 62.923 1.00 0.00 WT1 H ATOM 22042 OH2 TIP3 7554 46.399 52.126 64.608 1.00 0.00 WT1 O ATOM 22043 H1 TIP3 7554 46.558 52.796 65.274 1.00 0.00 WT1 H ATOM 22044 H2 TIP3 7554 45.448 52.018 64.598 1.00 0.00 WT1 H ATOM 22045 OH2 TIP3 7555 79.432 43.714 61.553 1.00 0.00 WT1 O ATOM 22046 H1 TIP3 7555 78.944 44.534 61.477 1.00 0.00 WT1 H ATOM 22047 H2 TIP3 7555 79.364 43.313 60.686 1.00 0.00 WT1 H ATOM 22048 OH2 TIP3 7556 22.274 88.808 49.731 1.00 0.00 WT1 O ATOM 22049 H1 TIP3 7556 21.666 88.854 50.469 1.00 0.00 WT1 H ATOM 22050 H2 TIP3 7556 21.899 89.394 49.074 1.00 0.00 WT1 H ATOM 22051 OH2 TIP3 7557 81.794 31.783 -3.166 1.00 0.00 WT1 O ATOM 22052 H1 TIP3 7557 81.792 31.511 -2.248 1.00 0.00 WT1 H ATOM 22053 H2 TIP3 7557 81.614 32.723 -3.138 1.00 0.00 WT1 H ATOM 22054 OH2 TIP3 7558 65.763 6.154 33.053 1.00 0.00 WT1 O ATOM 22055 H1 TIP3 7558 66.089 5.339 32.671 1.00 0.00 WT1 H ATOM 22056 H2 TIP3 7558 65.126 6.479 32.417 1.00 0.00 WT1 H ATOM 22057 OH2 TIP3 7559 75.527 46.718 1.274 1.00 0.00 WT1 O ATOM 22058 H1 TIP3 7559 74.930 47.035 1.952 1.00 0.00 WT1 H ATOM 22059 H2 TIP3 7559 76.396 46.786 1.670 1.00 0.00 WT1 H ATOM 22060 OH2 TIP3 7560 60.121 91.362 49.554 1.00 0.00 WT1 O ATOM 22061 H1 TIP3 7560 60.115 90.732 48.833 1.00 0.00 WT1 H ATOM 22062 H2 TIP3 7560 60.865 91.933 49.367 1.00 0.00 WT1 H ATOM 22063 OH2 TIP3 7561 58.101 24.604 57.732 1.00 0.00 WT1 O ATOM 22064 H1 TIP3 7561 57.348 24.882 58.253 1.00 0.00 WT1 H ATOM 22065 H2 TIP3 7561 58.240 25.317 57.110 1.00 0.00 WT1 H ATOM 22066 OH2 TIP3 7562 45.577 9.427 46.198 1.00 0.00 WT1 O ATOM 22067 H1 TIP3 7562 45.188 8.594 45.933 1.00 0.00 WT1 H ATOM 22068 H2 TIP3 7562 45.274 10.054 45.542 1.00 0.00 WT1 H ATOM 22069 OH2 TIP3 7563 20.716 82.787 9.250 1.00 0.00 WT1 O ATOM 22070 H1 TIP3 7563 20.895 83.672 9.570 1.00 0.00 WT1 H ATOM 22071 H2 TIP3 7563 20.096 82.424 9.882 1.00 0.00 WT1 H ATOM 22072 OH2 TIP3 7564 76.629 57.857 -8.618 1.00 0.00 WT1 O ATOM 22073 H1 TIP3 7564 76.942 57.412 -9.406 1.00 0.00 WT1 H ATOM 22074 H2 TIP3 7564 75.888 58.383 -8.918 1.00 0.00 WT1 H ATOM 22075 OH2 TIP3 7565 63.829 61.730 53.398 1.00 0.00 WT1 O ATOM 22076 H1 TIP3 7565 63.914 61.536 54.331 1.00 0.00 WT1 H ATOM 22077 H2 TIP3 7565 64.208 62.604 53.299 1.00 0.00 WT1 H ATOM 22078 OH2 TIP3 7566 21.921 50.342 -16.724 1.00 0.00 WT1 O ATOM 22079 H1 TIP3 7566 22.020 49.911 -17.573 1.00 0.00 WT1 H ATOM 22080 H2 TIP3 7566 21.060 50.062 -16.412 1.00 0.00 WT1 H ATOM 22081 OH2 TIP3 7567 55.461 12.131 9.276 1.00 0.00 WT1 O ATOM 22082 H1 TIP3 7567 54.700 12.210 8.702 1.00 0.00 WT1 H ATOM 22083 H2 TIP3 7567 56.152 11.782 8.712 1.00 0.00 WT1 H ATOM 22084 OH2 TIP3 7568 30.219 78.283 -4.879 1.00 0.00 WT1 O ATOM 22085 H1 TIP3 7568 30.332 78.344 -5.827 1.00 0.00 WT1 H ATOM 22086 H2 TIP3 7568 29.323 77.967 -4.764 1.00 0.00 WT1 H ATOM 22087 OH2 TIP3 7569 70.190 61.883 50.476 1.00 0.00 WT1 O ATOM 22088 H1 TIP3 7569 70.872 61.236 50.654 1.00 0.00 WT1 H ATOM 22089 H2 TIP3 7569 69.461 61.374 50.123 1.00 0.00 WT1 H ATOM 22090 OH2 TIP3 7570 32.965 2.610 30.781 1.00 0.00 WT1 O ATOM 22091 H1 TIP3 7570 32.732 3.439 30.361 1.00 0.00 WT1 H ATOM 22092 H2 TIP3 7570 33.825 2.771 31.168 1.00 0.00 WT1 H ATOM 22093 OH2 TIP3 7571 36.728 76.553 33.897 1.00 0.00 WT1 O ATOM 22094 H1 TIP3 7571 36.914 75.623 34.024 1.00 0.00 WT1 H ATOM 22095 H2 TIP3 7571 37.590 76.961 33.817 1.00 0.00 WT1 H ATOM 22096 OH2 TIP3 7572 85.970 83.256 65.873 1.00 0.00 WT1 O ATOM 22097 H1 TIP3 7572 86.645 82.841 65.336 1.00 0.00 WT1 H ATOM 22098 H2 TIP3 7572 85.145 82.911 65.531 1.00 0.00 WT1 H ATOM 22099 OH2 TIP3 7573 31.599 21.729 11.320 1.00 0.00 WT1 O ATOM 22100 H1 TIP3 7573 30.675 21.686 11.072 1.00 0.00 WT1 H ATOM 22101 H2 TIP3 7573 31.962 20.890 11.036 1.00 0.00 WT1 H ATOM 22102 OH2 TIP3 7574 51.523 76.731 -4.040 1.00 0.00 WT1 O ATOM 22103 H1 TIP3 7574 51.998 75.900 -4.031 1.00 0.00 WT1 H ATOM 22104 H2 TIP3 7574 50.771 76.571 -4.610 1.00 0.00 WT1 H ATOM 22105 OH2 TIP3 7575 52.623 76.835 61.909 1.00 0.00 WT1 O ATOM 22106 H1 TIP3 7575 52.027 76.401 61.299 1.00 0.00 WT1 H ATOM 22107 H2 TIP3 7575 52.399 76.470 62.765 1.00 0.00 WT1 H ATOM 22108 OH2 TIP3 7576 59.815 56.844 -7.330 1.00 0.00 WT1 O ATOM 22109 H1 TIP3 7576 59.249 56.932 -6.564 1.00 0.00 WT1 H ATOM 22110 H2 TIP3 7576 59.220 56.907 -8.077 1.00 0.00 WT1 H ATOM 22111 OH2 TIP3 7577 56.452 42.402 53.491 1.00 0.00 WT1 O ATOM 22112 H1 TIP3 7577 55.747 42.748 52.943 1.00 0.00 WT1 H ATOM 22113 H2 TIP3 7577 57.249 42.561 52.985 1.00 0.00 WT1 H ATOM 22114 OH2 TIP3 7578 63.245 19.940 3.076 1.00 0.00 WT1 O ATOM 22115 H1 TIP3 7578 62.761 19.114 3.104 1.00 0.00 WT1 H ATOM 22116 H2 TIP3 7578 62.650 20.552 2.643 1.00 0.00 WT1 H ATOM 22117 OH2 TIP3 7579 89.194 30.143 62.858 1.00 0.00 WT1 O ATOM 22118 H1 TIP3 7579 88.616 29.449 62.541 1.00 0.00 WT1 H ATOM 22119 H2 TIP3 7579 90.077 29.804 62.716 1.00 0.00 WT1 H ATOM 22120 OH2 TIP3 7580 76.841 7.355 -13.971 1.00 0.00 WT1 O ATOM 22121 H1 TIP3 7580 76.610 6.459 -13.728 1.00 0.00 WT1 H ATOM 22122 H2 TIP3 7580 77.780 7.318 -14.157 1.00 0.00 WT1 H ATOM 22123 OH2 TIP3 7581 78.425 90.207 50.160 1.00 0.00 WT1 O ATOM 22124 H1 TIP3 7581 77.869 89.782 50.812 1.00 0.00 WT1 H ATOM 22125 H2 TIP3 7581 79.174 89.618 50.062 1.00 0.00 WT1 H ATOM 22126 OH2 TIP3 7582 23.109 32.418 52.363 1.00 0.00 WT1 O ATOM 22127 H1 TIP3 7582 23.734 33.118 52.550 1.00 0.00 WT1 H ATOM 22128 H2 TIP3 7582 22.606 32.739 51.614 1.00 0.00 WT1 H ATOM 22129 OH2 TIP3 7584 20.593 39.883 26.975 1.00 0.00 WT1 O ATOM 22130 H1 TIP3 7584 21.024 39.035 26.874 1.00 0.00 WT1 H ATOM 22131 H2 TIP3 7584 19.959 39.917 26.259 1.00 0.00 WT1 H ATOM 22132 OH2 TIP3 7585 76.960 37.599 52.100 1.00 0.00 WT1 O ATOM 22133 H1 TIP3 7585 77.787 37.994 51.824 1.00 0.00 WT1 H ATOM 22134 H2 TIP3 7585 76.693 37.058 51.357 1.00 0.00 WT1 H ATOM 22135 OH2 TIP3 7586 32.831 85.297 22.116 1.00 0.00 WT1 O ATOM 22136 H1 TIP3 7586 32.162 84.959 21.520 1.00 0.00 WT1 H ATOM 22137 H2 TIP3 7586 32.439 85.220 22.986 1.00 0.00 WT1 H ATOM 22138 OH2 TIP3 7587 44.765 97.023 63.121 1.00 0.00 WT1 O ATOM 22139 H1 TIP3 7587 45.174 96.362 63.680 1.00 0.00 WT1 H ATOM 22140 H2 TIP3 7587 44.280 96.519 62.469 1.00 0.00 WT1 H ATOM 22141 OH2 TIP3 7588 87.895 64.818 -4.078 1.00 0.00 WT1 O ATOM 22142 H1 TIP3 7588 87.731 64.105 -4.694 1.00 0.00 WT1 H ATOM 22143 H2 TIP3 7588 87.418 65.564 -4.442 1.00 0.00 WT1 H ATOM 22144 OH2 TIP3 7589 66.655 35.621 23.724 1.00 0.00 WT1 O ATOM 22145 H1 TIP3 7589 66.742 36.508 24.073 1.00 0.00 WT1 H ATOM 22146 H2 TIP3 7589 65.829 35.634 23.239 1.00 0.00 WT1 H ATOM 22147 OH2 TIP3 7590 66.246 27.470 18.504 1.00 0.00 WT1 O ATOM 22148 H1 TIP3 7590 66.957 28.013 18.844 1.00 0.00 WT1 H ATOM 22149 H2 TIP3 7590 65.450 27.873 18.851 1.00 0.00 WT1 H ATOM 22150 OH2 TIP3 7591 85.529 87.137 19.928 1.00 0.00 WT1 O ATOM 22151 H1 TIP3 7591 85.012 87.251 19.131 1.00 0.00 WT1 H ATOM 22152 H2 TIP3 7591 85.208 87.816 20.522 1.00 0.00 WT1 H ATOM 22153 OH2 TIP3 7592 72.636 6.833 -14.105 1.00 0.00 WT1 O ATOM 22154 H1 TIP3 7592 72.863 7.471 -13.428 1.00 0.00 WT1 H ATOM 22155 H2 TIP3 7592 73.373 6.858 -14.716 1.00 0.00 WT1 H ATOM 22156 OH2 TIP3 7593 32.369 19.291 10.845 1.00 0.00 WT1 O ATOM 22157 H1 TIP3 7593 31.844 18.533 10.588 1.00 0.00 WT1 H ATOM 22158 H2 TIP3 7593 33.267 19.049 10.618 1.00 0.00 WT1 H ATOM 22159 OH2 TIP3 7594 56.032 0.925 34.206 1.00 0.00 WT1 O ATOM 22160 H1 TIP3 7594 55.442 0.816 33.461 1.00 0.00 WT1 H ATOM 22161 H2 TIP3 7594 55.701 0.316 34.866 1.00 0.00 WT1 H ATOM 22162 OH2 TIP3 7595 43.287 47.385 49.372 1.00 0.00 WT1 O ATOM 22163 H1 TIP3 7595 43.053 48.240 49.734 1.00 0.00 WT1 H ATOM 22164 H2 TIP3 7595 43.561 47.571 48.474 1.00 0.00 WT1 H ATOM 22165 OH2 TIP3 7596 29.861 79.803 45.738 1.00 0.00 WT1 O ATOM 22166 H1 TIP3 7596 29.059 79.789 46.261 1.00 0.00 WT1 H ATOM 22167 H2 TIP3 7596 29.876 80.675 45.345 1.00 0.00 WT1 H ATOM 22168 OH2 TIP3 7597 49.118 94.792 25.620 1.00 0.00 WT1 O ATOM 22169 H1 TIP3 7597 48.408 94.244 25.287 1.00 0.00 WT1 H ATOM 22170 H2 TIP3 7597 49.021 95.621 25.152 1.00 0.00 WT1 H ATOM 22171 OH2 TIP3 7598 55.934 65.672 -14.197 1.00 0.00 WT1 O ATOM 22172 H1 TIP3 7598 56.089 64.824 -13.780 1.00 0.00 WT1 H ATOM 22173 H2 TIP3 7598 56.681 66.209 -13.934 1.00 0.00 WT1 H ATOM 22174 OH2 TIP3 7599 51.706 5.107 44.153 1.00 0.00 WT1 O ATOM 22175 H1 TIP3 7599 52.545 4.664 44.025 1.00 0.00 WT1 H ATOM 22176 H2 TIP3 7599 51.788 5.538 45.003 1.00 0.00 WT1 H ATOM 22177 OH2 TIP3 7600 30.711 43.850 9.575 1.00 0.00 WT1 O ATOM 22178 H1 TIP3 7600 30.469 44.680 9.987 1.00 0.00 WT1 H ATOM 22179 H2 TIP3 7600 29.879 43.476 9.284 1.00 0.00 WT1 H ATOM 22180 OH2 TIP3 7601 84.780 60.796 6.395 1.00 0.00 WT1 O ATOM 22181 H1 TIP3 7601 83.901 60.419 6.368 1.00 0.00 WT1 H ATOM 22182 H2 TIP3 7601 84.693 61.570 6.952 1.00 0.00 WT1 H ATOM 22183 OH2 TIP3 7602 60.044 48.823 66.742 1.00 0.00 WT1 O ATOM 22184 H1 TIP3 7602 60.100 49.753 66.524 1.00 0.00 WT1 H ATOM 22185 H2 TIP3 7602 60.767 48.420 66.262 1.00 0.00 WT1 H ATOM 22186 OH2 TIP3 7603 49.822 22.067 -3.478 1.00 0.00 WT1 O ATOM 22187 H1 TIP3 7603 49.957 21.202 -3.093 1.00 0.00 WT1 H ATOM 22188 H2 TIP3 7603 48.871 22.163 -3.527 1.00 0.00 WT1 H ATOM 22189 OH2 TIP3 7604 69.742 86.070 1.479 1.00 0.00 WT1 O ATOM 22190 H1 TIP3 7604 69.703 85.424 0.774 1.00 0.00 WT1 H ATOM 22191 H2 TIP3 7604 70.234 86.802 1.106 1.00 0.00 WT1 H ATOM 22192 OH2 TIP3 7605 62.065 12.787 50.484 1.00 0.00 WT1 O ATOM 22193 H1 TIP3 7605 62.701 12.749 51.198 1.00 0.00 WT1 H ATOM 22194 H2 TIP3 7605 61.886 13.720 50.372 1.00 0.00 WT1 H ATOM 22195 OH2 TIP3 7606 60.653 33.254 28.227 1.00 0.00 WT1 O ATOM 22196 H1 TIP3 7606 61.563 33.325 27.940 1.00 0.00 WT1 H ATOM 22197 H2 TIP3 7606 60.139 33.427 27.438 1.00 0.00 WT1 H ATOM 22198 OH2 TIP3 7608 70.632 5.145 36.257 1.00 0.00 WT1 O ATOM 22199 H1 TIP3 7608 70.444 4.284 36.632 1.00 0.00 WT1 H ATOM 22200 H2 TIP3 7608 69.844 5.369 35.762 1.00 0.00 WT1 H ATOM 22201 OH2 TIP3 7609 59.972 93.556 65.751 1.00 0.00 WT1 O ATOM 22202 H1 TIP3 7609 60.511 93.740 66.520 1.00 0.00 WT1 H ATOM 22203 H2 TIP3 7609 59.081 93.487 66.093 1.00 0.00 WT1 H ATOM 22204 OH2 TIP3 7610 51.601 22.443 -10.126 1.00 0.00 WT1 O ATOM 22205 H1 TIP3 7610 51.124 22.189 -10.916 1.00 0.00 WT1 H ATOM 22206 H2 TIP3 7610 51.059 22.123 -9.405 1.00 0.00 WT1 H ATOM 22207 OH2 TIP3 7611 52.805 83.406 -4.981 1.00 0.00 WT1 O ATOM 22208 H1 TIP3 7611 52.980 84.333 -5.144 1.00 0.00 WT1 H ATOM 22209 H2 TIP3 7611 53.247 82.949 -5.697 1.00 0.00 WT1 H ATOM 22210 OH2 TIP3 7612 49.298 12.494 1.809 1.00 0.00 WT1 O ATOM 22211 H1 TIP3 7612 49.077 11.712 1.304 1.00 0.00 WT1 H ATOM 22212 H2 TIP3 7612 49.038 13.224 1.247 1.00 0.00 WT1 H ATOM 22213 OH2 TIP3 7613 22.758 32.611 20.221 1.00 0.00 WT1 O ATOM 22214 H1 TIP3 7613 22.632 31.678 20.047 1.00 0.00 WT1 H ATOM 22215 H2 TIP3 7613 23.621 32.809 19.855 1.00 0.00 WT1 H ATOM 22216 OH2 TIP3 7614 42.814 79.798 39.744 1.00 0.00 WT1 O ATOM 22217 H1 TIP3 7614 42.914 80.580 39.201 1.00 0.00 WT1 H ATOM 22218 H2 TIP3 7614 41.919 79.502 39.576 1.00 0.00 WT1 H ATOM 22219 OH2 TIP3 7615 73.166 94.378 1.624 1.00 0.00 WT1 O ATOM 22220 H1 TIP3 7615 73.413 95.261 1.899 1.00 0.00 WT1 H ATOM 22221 H2 TIP3 7615 73.786 93.804 2.074 1.00 0.00 WT1 H ATOM 22222 OH2 TIP3 7616 83.653 44.497 -12.621 1.00 0.00 WT1 O ATOM 22223 H1 TIP3 7616 84.014 45.049 -13.315 1.00 0.00 WT1 H ATOM 22224 H2 TIP3 7616 82.712 44.480 -12.793 1.00 0.00 WT1 H ATOM 22225 OH2 TIP3 7617 82.047 78.383 1.082 1.00 0.00 WT1 O ATOM 22226 H1 TIP3 7617 82.116 78.689 1.986 1.00 0.00 WT1 H ATOM 22227 H2 TIP3 7617 81.491 79.031 0.651 1.00 0.00 WT1 H ATOM 22228 OH2 TIP3 7618 62.863 6.035 38.791 1.00 0.00 WT1 O ATOM 22229 H1 TIP3 7618 62.291 6.275 39.520 1.00 0.00 WT1 H ATOM 22230 H2 TIP3 7618 63.728 6.355 39.049 1.00 0.00 WT1 H ATOM 22231 OH2 TIP3 7619 34.463 12.600 38.036 1.00 0.00 WT1 O ATOM 22232 H1 TIP3 7619 35.299 12.886 37.669 1.00 0.00 WT1 H ATOM 22233 H2 TIP3 7619 34.057 12.088 37.336 1.00 0.00 WT1 H ATOM 22234 OH2 TIP3 7620 21.223 74.380 59.663 1.00 0.00 WT1 O ATOM 22235 H1 TIP3 7620 20.887 74.983 60.326 1.00 0.00 WT1 H ATOM 22236 H2 TIP3 7620 21.874 73.853 60.125 1.00 0.00 WT1 H ATOM 22237 OH2 TIP3 7621 26.623 88.697 -19.613 1.00 0.00 WT1 O ATOM 22238 H1 TIP3 7621 25.734 88.387 -19.786 1.00 0.00 WT1 H ATOM 22239 H2 TIP3 7621 26.760 88.523 -18.682 1.00 0.00 WT1 H ATOM 22240 OH2 TIP3 7622 51.856 19.715 26.494 1.00 0.00 WT1 O ATOM 22241 H1 TIP3 7622 51.126 20.275 26.228 1.00 0.00 WT1 H ATOM 22242 H2 TIP3 7622 52.609 20.305 26.532 1.00 0.00 WT1 H ATOM 22243 OH2 TIP3 7623 22.588 10.499 57.535 1.00 0.00 WT1 O ATOM 22244 H1 TIP3 7623 21.938 10.741 56.876 1.00 0.00 WT1 H ATOM 22245 H2 TIP3 7623 22.831 11.327 57.948 1.00 0.00 WT1 H ATOM 22246 OH2 TIP3 7624 62.680 6.751 -16.389 1.00 0.00 WT1 O ATOM 22247 H1 TIP3 7624 62.025 7.397 -16.654 1.00 0.00 WT1 H ATOM 22248 H2 TIP3 7624 63.512 7.223 -16.427 1.00 0.00 WT1 H ATOM 22249 OH2 TIP3 7625 34.618 2.609 -0.191 1.00 0.00 WT1 O ATOM 22250 H1 TIP3 7625 33.794 2.375 0.235 1.00 0.00 WT1 H ATOM 22251 H2 TIP3 7625 34.367 2.862 -1.079 1.00 0.00 WT1 H ATOM 22252 OH2 TIP3 7626 48.530 48.641 38.052 1.00 0.00 WT1 O ATOM 22253 H1 TIP3 7626 48.338 49.384 37.480 1.00 0.00 WT1 H ATOM 22254 H2 TIP3 7626 49.434 48.405 37.843 1.00 0.00 WT1 H ATOM 22255 OH2 TIP3 7627 31.516 90.694 -10.527 1.00 0.00 WT1 O ATOM 22256 H1 TIP3 7627 30.961 91.303 -11.014 1.00 0.00 WT1 H ATOM 22257 H2 TIP3 7627 30.998 90.459 -9.757 1.00 0.00 WT1 H ATOM 22258 OH2 TIP3 7628 21.107 96.338 -13.585 1.00 0.00 WT1 O ATOM 22259 H1 TIP3 7628 20.765 97.189 -13.859 1.00 0.00 WT1 H ATOM 22260 H2 TIP3 7628 21.011 96.336 -12.633 1.00 0.00 WT1 H ATOM 22261 OH2 TIP3 7630 23.979 2.432 12.743 1.00 0.00 WT1 O ATOM 22262 H1 TIP3 7630 24.744 2.880 13.102 1.00 0.00 WT1 H ATOM 22263 H2 TIP3 7630 24.340 1.687 12.262 1.00 0.00 WT1 H ATOM 22264 OH2 TIP3 7631 71.879 7.531 36.868 1.00 0.00 WT1 O ATOM 22265 H1 TIP3 7631 71.764 6.593 36.716 1.00 0.00 WT1 H ATOM 22266 H2 TIP3 7631 71.994 7.608 37.815 1.00 0.00 WT1 H ATOM 22267 OH2 TIP3 7632 41.594 17.559 60.723 1.00 0.00 WT1 O ATOM 22268 H1 TIP3 7632 42.150 16.818 60.484 1.00 0.00 WT1 H ATOM 22269 H2 TIP3 7632 42.195 18.194 61.114 1.00 0.00 WT1 H ATOM 22270 OH2 TIP3 7633 63.780 43.647 13.973 1.00 0.00 WT1 O ATOM 22271 H1 TIP3 7633 63.390 44.286 14.570 1.00 0.00 WT1 H ATOM 22272 H2 TIP3 7633 63.309 42.833 14.152 1.00 0.00 WT1 H ATOM 22273 OH2 TIP3 7634 22.661 94.798 61.549 1.00 0.00 WT1 O ATOM 22274 H1 TIP3 7634 22.510 94.805 60.604 1.00 0.00 WT1 H ATOM 22275 H2 TIP3 7634 23.454 94.273 61.661 1.00 0.00 WT1 H ATOM 22276 OH2 TIP3 7635 51.455 7.981 -0.478 1.00 0.00 WT1 O ATOM 22277 H1 TIP3 7635 51.312 8.529 0.293 1.00 0.00 WT1 H ATOM 22278 H2 TIP3 7635 52.209 8.375 -0.916 1.00 0.00 WT1 H ATOM 22279 OH2 TIP3 7636 88.115 62.274 28.917 1.00 0.00 WT1 O ATOM 22280 H1 TIP3 7636 88.062 61.334 29.090 1.00 0.00 WT1 H ATOM 22281 H2 TIP3 7636 88.561 62.338 28.073 1.00 0.00 WT1 H ATOM 22282 OH2 TIP3 7637 21.520 28.503 44.693 1.00 0.00 WT1 O ATOM 22283 H1 TIP3 7637 20.837 28.223 44.084 1.00 0.00 WT1 H ATOM 22284 H2 TIP3 7637 21.500 27.850 45.393 1.00 0.00 WT1 H ATOM 22285 OH2 TIP3 7638 82.136 25.162 28.071 1.00 0.00 WT1 O ATOM 22286 H1 TIP3 7638 81.659 25.459 28.845 1.00 0.00 WT1 H ATOM 22287 H2 TIP3 7638 82.415 24.272 28.288 1.00 0.00 WT1 H ATOM 22288 OH2 TIP3 7639 31.129 27.008 46.853 1.00 0.00 WT1 O ATOM 22289 H1 TIP3 7639 31.410 27.732 46.295 1.00 0.00 WT1 H ATOM 22290 H2 TIP3 7639 30.346 26.663 46.423 1.00 0.00 WT1 H ATOM 22291 OH2 TIP3 7640 61.931 35.819 -13.781 1.00 0.00 WT1 O ATOM 22292 H1 TIP3 7640 62.879 35.689 -13.743 1.00 0.00 WT1 H ATOM 22293 H2 TIP3 7640 61.612 35.516 -12.931 1.00 0.00 WT1 H ATOM 22294 OH2 TIP3 7641 77.394 61.560 -10.499 1.00 0.00 WT1 O ATOM 22295 H1 TIP3 7641 76.500 61.801 -10.740 1.00 0.00 WT1 H ATOM 22296 H2 TIP3 7641 77.324 61.250 -9.596 1.00 0.00 WT1 H ATOM 22297 OH2 TIP3 7642 55.729 85.103 18.407 1.00 0.00 WT1 O ATOM 22298 H1 TIP3 7642 55.944 86.035 18.389 1.00 0.00 WT1 H ATOM 22299 H2 TIP3 7642 55.678 84.850 17.485 1.00 0.00 WT1 H ATOM 22300 OH2 TIP3 7643 70.476 76.768 65.035 1.00 0.00 WT1 O ATOM 22301 H1 TIP3 7643 69.951 76.244 65.640 1.00 0.00 WT1 H ATOM 22302 H2 TIP3 7643 70.196 76.481 64.165 1.00 0.00 WT1 H ATOM 22303 OH2 TIP3 7644 24.881 54.744 29.158 1.00 0.00 WT1 O ATOM 22304 H1 TIP3 7644 24.553 53.845 29.142 1.00 0.00 WT1 H ATOM 22305 H2 TIP3 7644 25.184 54.905 28.264 1.00 0.00 WT1 H ATOM 22306 OH2 TIP3 7645 58.917 14.552 42.736 1.00 0.00 WT1 O ATOM 22307 H1 TIP3 7645 58.025 14.899 42.711 1.00 0.00 WT1 H ATOM 22308 H2 TIP3 7645 59.139 14.395 41.818 1.00 0.00 WT1 H ATOM 22309 OH2 TIP3 7646 46.272 14.238 -0.769 1.00 0.00 WT1 O ATOM 22310 H1 TIP3 7646 46.834 14.097 -0.007 1.00 0.00 WT1 H ATOM 22311 H2 TIP3 7646 45.476 13.743 -0.576 1.00 0.00 WT1 H ATOM 22312 OH2 TIP3 7647 60.149 65.673 61.102 1.00 0.00 WT1 O ATOM 22313 H1 TIP3 7647 59.470 65.023 61.281 1.00 0.00 WT1 H ATOM 22314 H2 TIP3 7647 60.903 65.380 61.615 1.00 0.00 WT1 H ATOM 22315 OH2 TIP3 7648 78.843 13.519 48.106 1.00 0.00 WT1 O ATOM 22316 H1 TIP3 7648 79.381 14.272 47.863 1.00 0.00 WT1 H ATOM 22317 H2 TIP3 7648 78.068 13.900 48.519 1.00 0.00 WT1 H ATOM 22318 OH2 TIP3 7649 69.452 24.123 66.172 1.00 0.00 WT1 O ATOM 22319 H1 TIP3 7649 68.603 24.291 65.764 1.00 0.00 WT1 H ATOM 22320 H2 TIP3 7649 69.259 24.050 67.107 1.00 0.00 WT1 H ATOM 22321 OH2 TIP3 7650 73.956 85.416 13.615 1.00 0.00 WT1 O ATOM 22322 H1 TIP3 7650 74.442 85.876 14.299 1.00 0.00 WT1 H ATOM 22323 H2 TIP3 7650 73.036 85.552 13.840 1.00 0.00 WT1 H ATOM 22324 OH2 TIP3 7651 77.749 60.067 0.665 1.00 0.00 WT1 O ATOM 22325 H1 TIP3 7651 76.878 59.918 1.032 1.00 0.00 WT1 H ATOM 22326 H2 TIP3 7651 77.737 59.612 -0.177 1.00 0.00 WT1 H ATOM 22327 OH2 TIP3 7652 25.687 77.384 -8.392 1.00 0.00 WT1 O ATOM 22328 H1 TIP3 7652 25.487 76.978 -7.548 1.00 0.00 WT1 H ATOM 22329 H2 TIP3 7652 26.458 77.925 -8.220 1.00 0.00 WT1 H ATOM 22330 OH2 TIP3 7653 72.711 24.508 20.958 1.00 0.00 WT1 O ATOM 22331 H1 TIP3 7653 72.967 23.862 21.616 1.00 0.00 WT1 H ATOM 22332 H2 TIP3 7653 72.672 24.014 20.139 1.00 0.00 WT1 H ATOM 22333 OH2 TIP3 7654 62.185 46.873 10.033 1.00 0.00 WT1 O ATOM 22334 H1 TIP3 7654 62.372 46.321 10.793 1.00 0.00 WT1 H ATOM 22335 H2 TIP3 7654 61.272 47.138 10.148 1.00 0.00 WT1 H ATOM 22336 OH2 TIP3 7655 72.987 41.314 37.522 1.00 0.00 WT1 O ATOM 22337 H1 TIP3 7655 73.197 41.771 36.708 1.00 0.00 WT1 H ATOM 22338 H2 TIP3 7655 72.048 41.138 37.464 1.00 0.00 WT1 H ATOM 22339 OH2 TIP3 7656 87.126 32.265 14.236 1.00 0.00 WT1 O ATOM 22340 H1 TIP3 7656 86.487 31.723 14.699 1.00 0.00 WT1 H ATOM 22341 H2 TIP3 7656 87.763 31.641 13.887 1.00 0.00 WT1 H ATOM 22342 OH2 TIP3 7657 71.122 87.839 17.119 1.00 0.00 WT1 O ATOM 22343 H1 TIP3 7657 70.958 88.135 18.015 1.00 0.00 WT1 H ATOM 22344 H2 TIP3 7657 70.352 88.123 16.627 1.00 0.00 WT1 H ATOM 22345 OH2 TIP3 7658 90.264 56.803 39.942 1.00 0.00 WT1 O ATOM 22346 H1 TIP3 7658 89.570 57.403 40.214 1.00 0.00 WT1 H ATOM 22347 H2 TIP3 7658 90.314 56.158 40.648 1.00 0.00 WT1 H ATOM 22348 OH2 TIP3 7659 35.802 7.792 24.351 1.00 0.00 WT1 O ATOM 22349 H1 TIP3 7659 36.485 7.227 24.712 1.00 0.00 WT1 H ATOM 22350 H2 TIP3 7659 36.196 8.664 24.332 1.00 0.00 WT1 H ATOM 22351 OH2 TIP3 7660 89.305 55.438 -18.384 1.00 0.00 WT1 O ATOM 22352 H1 TIP3 7660 89.134 56.136 -17.752 1.00 0.00 WT1 H ATOM 22353 H2 TIP3 7660 88.459 55.285 -18.807 1.00 0.00 WT1 H ATOM 22354 OH2 TIP3 7661 86.932 81.313 -4.669 1.00 0.00 WT1 O ATOM 22355 H1 TIP3 7661 86.497 81.891 -4.043 1.00 0.00 WT1 H ATOM 22356 H2 TIP3 7661 87.451 81.900 -5.219 1.00 0.00 WT1 H ATOM 22357 OH2 TIP3 7662 28.355 0.778 12.025 1.00 0.00 WT1 O ATOM 22358 H1 TIP3 7662 27.737 0.314 12.590 1.00 0.00 WT1 H ATOM 22359 H2 TIP3 7662 27.962 0.734 11.153 1.00 0.00 WT1 H ATOM 22360 OH2 TIP3 7663 23.010 70.604 7.020 1.00 0.00 WT1 O ATOM 22361 H1 TIP3 7663 22.769 71.105 6.241 1.00 0.00 WT1 H ATOM 22362 H2 TIP3 7663 23.497 71.223 7.563 1.00 0.00 WT1 H ATOM 22363 OH2 TIP3 7664 42.849 16.342 36.573 1.00 0.00 WT1 O ATOM 22364 H1 TIP3 7664 42.403 15.548 36.277 1.00 0.00 WT1 H ATOM 22365 H2 TIP3 7664 43.750 16.239 36.269 1.00 0.00 WT1 H ATOM 22366 OH2 TIP3 7665 75.501 5.128 -4.949 1.00 0.00 WT1 O ATOM 22367 H1 TIP3 7665 75.774 5.803 -4.328 1.00 0.00 WT1 H ATOM 22368 H2 TIP3 7665 74.706 5.479 -5.351 1.00 0.00 WT1 H ATOM 22369 OH2 TIP3 7666 57.649 77.930 25.630 1.00 0.00 WT1 O ATOM 22370 H1 TIP3 7666 58.213 77.159 25.569 1.00 0.00 WT1 H ATOM 22371 H2 TIP3 7666 56.870 77.698 25.125 1.00 0.00 WT1 H ATOM 22372 OH2 TIP3 7667 42.977 3.479 57.025 1.00 0.00 WT1 O ATOM 22373 H1 TIP3 7667 42.760 4.409 57.085 1.00 0.00 WT1 H ATOM 22374 H2 TIP3 7667 43.351 3.264 57.879 1.00 0.00 WT1 H ATOM 22375 OH2 TIP3 7668 90.067 39.425 11.304 1.00 0.00 WT1 O ATOM 22376 H1 TIP3 7668 89.285 39.839 10.940 1.00 0.00 WT1 H ATOM 22377 H2 TIP3 7668 89.737 38.657 11.770 1.00 0.00 WT1 H ATOM 22378 OH2 TIP3 7669 34.115 13.478 -1.870 1.00 0.00 WT1 O ATOM 22379 H1 TIP3 7669 34.364 13.011 -1.073 1.00 0.00 WT1 H ATOM 22380 H2 TIP3 7669 33.689 12.816 -2.414 1.00 0.00 WT1 H ATOM 22381 OH2 TIP3 7670 80.585 95.994 39.335 1.00 0.00 WT1 O ATOM 22382 H1 TIP3 7670 80.768 95.438 38.578 1.00 0.00 WT1 H ATOM 22383 H2 TIP3 7670 79.630 96.009 39.396 1.00 0.00 WT1 H ATOM 22384 OH2 TIP3 7671 24.581 12.839 61.561 1.00 0.00 WT1 O ATOM 22385 H1 TIP3 7671 24.767 11.918 61.383 1.00 0.00 WT1 H ATOM 22386 H2 TIP3 7671 24.098 12.832 62.387 1.00 0.00 WT1 H ATOM 22387 OH2 TIP3 7672 36.356 25.711 -8.949 1.00 0.00 WT1 O ATOM 22388 H1 TIP3 7672 36.785 25.471 -8.128 1.00 0.00 WT1 H ATOM 22389 H2 TIP3 7672 36.475 24.947 -9.514 1.00 0.00 WT1 H ATOM 22390 OH2 TIP3 7673 34.476 61.650 -18.410 1.00 0.00 WT1 O ATOM 22391 H1 TIP3 7673 35.095 62.372 -18.302 1.00 0.00 WT1 H ATOM 22392 H2 TIP3 7673 35.000 60.935 -18.770 1.00 0.00 WT1 H ATOM 22393 OH2 TIP3 7674 78.208 54.410 30.026 1.00 0.00 WT1 O ATOM 22394 H1 TIP3 7674 77.366 54.724 29.696 1.00 0.00 WT1 H ATOM 22395 H2 TIP3 7674 78.799 54.475 29.276 1.00 0.00 WT1 H ATOM 22396 OH2 TIP3 7675 63.062 23.720 -12.117 1.00 0.00 WT1 O ATOM 22397 H1 TIP3 7675 62.366 24.152 -12.612 1.00 0.00 WT1 H ATOM 22398 H2 TIP3 7675 62.651 22.932 -11.762 1.00 0.00 WT1 H ATOM 22399 OH2 TIP3 7676 26.929 61.632 31.776 1.00 0.00 WT1 O ATOM 22400 H1 TIP3 7676 27.537 61.810 32.494 1.00 0.00 WT1 H ATOM 22401 H2 TIP3 7676 27.486 61.578 30.999 1.00 0.00 WT1 H ATOM 22402 OH2 TIP3 7677 89.860 21.250 5.962 1.00 0.00 WT1 O ATOM 22403 H1 TIP3 7677 90.217 22.138 5.951 1.00 0.00 WT1 H ATOM 22404 H2 TIP3 7677 90.453 20.760 6.531 1.00 0.00 WT1 H ATOM 22405 OH2 TIP3 7678 78.219 25.347 10.874 1.00 0.00 WT1 O ATOM 22406 H1 TIP3 7678 77.335 25.671 10.700 1.00 0.00 WT1 H ATOM 22407 H2 TIP3 7678 78.733 26.136 11.049 1.00 0.00 WT1 H ATOM 22408 OH2 TIP3 7679 34.525 63.817 35.719 1.00 0.00 WT1 O ATOM 22409 H1 TIP3 7679 35.039 63.277 35.120 1.00 0.00 WT1 H ATOM 22410 H2 TIP3 7679 34.989 64.654 35.747 1.00 0.00 WT1 H ATOM 22411 OH2 TIP3 7680 72.067 24.163 50.047 1.00 0.00 WT1 O ATOM 22412 H1 TIP3 7680 71.670 24.793 49.446 1.00 0.00 WT1 H ATOM 22413 H2 TIP3 7680 71.801 24.461 50.917 1.00 0.00 WT1 H ATOM 22414 OH2 TIP3 7681 22.639 83.501 -1.195 1.00 0.00 WT1 O ATOM 22415 H1 TIP3 7681 23.144 83.413 -2.003 1.00 0.00 WT1 H ATOM 22416 H2 TIP3 7681 23.253 83.264 -0.501 1.00 0.00 WT1 H ATOM 22417 OH2 TIP3 7682 90.403 4.688 8.832 1.00 0.00 WT1 O ATOM 22418 H1 TIP3 7682 91.187 5.220 8.973 1.00 0.00 WT1 H ATOM 22419 H2 TIP3 7682 90.380 4.092 9.580 1.00 0.00 WT1 H ATOM 22420 OH2 TIP3 7683 86.051 19.810 -12.050 1.00 0.00 WT1 O ATOM 22421 H1 TIP3 7683 86.406 19.164 -11.439 1.00 0.00 WT1 H ATOM 22422 H2 TIP3 7683 85.352 20.245 -11.560 1.00 0.00 WT1 H ATOM 22423 OH2 TIP3 7684 85.351 8.548 65.725 1.00 0.00 WT1 O ATOM 22424 H1 TIP3 7684 86.025 8.972 65.193 1.00 0.00 WT1 H ATOM 22425 H2 TIP3 7684 85.116 9.202 66.382 1.00 0.00 WT1 H ATOM 22426 OH2 TIP3 7685 68.752 91.689 41.754 1.00 0.00 WT1 O ATOM 22427 H1 TIP3 7685 69.554 91.785 42.267 1.00 0.00 WT1 H ATOM 22428 H2 TIP3 7685 68.997 91.108 41.033 1.00 0.00 WT1 H ATOM 22429 OH2 TIP3 7686 71.677 68.134 9.455 1.00 0.00 WT1 O ATOM 22430 H1 TIP3 7686 70.781 67.804 9.389 1.00 0.00 WT1 H ATOM 22431 H2 TIP3 7686 71.603 68.925 9.989 1.00 0.00 WT1 H ATOM 22432 OH2 TIP3 7687 45.511 28.529 3.415 1.00 0.00 WT1 O ATOM 22433 H1 TIP3 7687 46.453 28.690 3.453 1.00 0.00 WT1 H ATOM 22434 H2 TIP3 7687 45.126 29.231 3.939 1.00 0.00 WT1 H ATOM 22435 OH2 TIP3 7688 39.373 48.405 -6.123 1.00 0.00 WT1 O ATOM 22436 H1 TIP3 7688 38.585 48.933 -6.246 1.00 0.00 WT1 H ATOM 22437 H2 TIP3 7688 39.934 48.938 -5.560 1.00 0.00 WT1 H ATOM 22438 OH2 TIP3 7689 34.356 64.753 54.172 1.00 0.00 WT1 O ATOM 22439 H1 TIP3 7689 35.061 65.358 53.944 1.00 0.00 WT1 H ATOM 22440 H2 TIP3 7689 34.430 64.046 53.531 1.00 0.00 WT1 H ATOM 22441 OH2 TIP3 7690 26.785 28.672 63.426 1.00 0.00 WT1 O ATOM 22442 H1 TIP3 7690 26.666 29.583 63.695 1.00 0.00 WT1 H ATOM 22443 H2 TIP3 7690 27.656 28.438 63.747 1.00 0.00 WT1 H ATOM 22444 OH2 TIP3 7691 64.290 15.080 22.109 1.00 0.00 WT1 O ATOM 22445 H1 TIP3 7691 64.647 15.918 22.403 1.00 0.00 WT1 H ATOM 22446 H2 TIP3 7691 63.829 14.734 22.873 1.00 0.00 WT1 H ATOM 22447 OH2 TIP3 7692 72.832 84.827 56.279 1.00 0.00 WT1 O ATOM 22448 H1 TIP3 7692 72.244 84.908 55.528 1.00 0.00 WT1 H ATOM 22449 H2 TIP3 7692 72.954 83.884 56.389 1.00 0.00 WT1 H ATOM 22450 OH2 TIP3 7693 65.226 45.816 25.222 1.00 0.00 WT1 O ATOM 22451 H1 TIP3 7693 65.206 46.402 24.465 1.00 0.00 WT1 H ATOM 22452 H2 TIP3 7693 65.195 46.400 25.979 1.00 0.00 WT1 H ATOM 22453 OH2 TIP3 7694 73.710 14.483 10.586 1.00 0.00 WT1 O ATOM 22454 H1 TIP3 7694 74.378 15.145 10.404 1.00 0.00 WT1 H ATOM 22455 H2 TIP3 7694 72.891 14.883 10.296 1.00 0.00 WT1 H ATOM 22456 OH2 TIP3 7695 38.573 0.385 -17.717 1.00 0.00 WT1 O ATOM 22457 H1 TIP3 7695 38.199 -0.492 -17.637 1.00 0.00 WT1 H ATOM 22458 H2 TIP3 7695 37.911 0.964 -17.340 1.00 0.00 WT1 H ATOM 22459 OH2 TIP3 7696 35.731 18.681 38.617 1.00 0.00 WT1 O ATOM 22460 H1 TIP3 7696 36.605 18.308 38.732 1.00 0.00 WT1 H ATOM 22461 H2 TIP3 7696 35.872 19.463 38.083 1.00 0.00 WT1 H ATOM 22462 OH2 TIP3 7697 71.865 63.595 8.750 1.00 0.00 WT1 O ATOM 22463 H1 TIP3 7697 71.717 64.538 8.683 1.00 0.00 WT1 H ATOM 22464 H2 TIP3 7697 71.279 63.309 9.451 1.00 0.00 WT1 H ATOM 22465 OH2 TIP3 7698 41.544 62.575 5.011 1.00 0.00 WT1 O ATOM 22466 H1 TIP3 7698 41.213 61.981 5.684 1.00 0.00 WT1 H ATOM 22467 H2 TIP3 7698 41.687 63.403 5.470 1.00 0.00 WT1 H ATOM 22468 OH2 TIP3 7699 24.385 44.302 4.677 1.00 0.00 WT1 O ATOM 22469 H1 TIP3 7699 24.214 45.244 4.656 1.00 0.00 WT1 H ATOM 22470 H2 TIP3 7699 24.868 44.164 5.491 1.00 0.00 WT1 H ATOM 22471 OH2 TIP3 7700 71.347 2.674 40.841 1.00 0.00 WT1 O ATOM 22472 H1 TIP3 7700 71.365 3.630 40.812 1.00 0.00 WT1 H ATOM 22473 H2 TIP3 7700 70.417 2.450 40.821 1.00 0.00 WT1 H ATOM 22474 OH2 TIP3 7701 77.166 38.534 26.366 1.00 0.00 WT1 O ATOM 22475 H1 TIP3 7701 77.605 38.729 27.193 1.00 0.00 WT1 H ATOM 22476 H2 TIP3 7701 77.056 39.387 25.946 1.00 0.00 WT1 H ATOM 22477 OH2 TIP3 7703 38.077 57.974 39.267 1.00 0.00 WT1 O ATOM 22478 H1 TIP3 7703 38.251 58.005 40.207 1.00 0.00 WT1 H ATOM 22479 H2 TIP3 7703 38.759 58.521 38.878 1.00 0.00 WT1 H ATOM 22480 OH2 TIP3 7704 31.211 78.816 37.086 1.00 0.00 WT1 O ATOM 22481 H1 TIP3 7704 31.456 78.582 36.190 1.00 0.00 WT1 H ATOM 22482 H2 TIP3 7704 30.913 79.724 37.024 1.00 0.00 WT1 H ATOM 22483 OH2 TIP3 7705 69.476 13.451 -16.192 1.00 0.00 WT1 O ATOM 22484 H1 TIP3 7705 68.867 14.084 -16.572 1.00 0.00 WT1 H ATOM 22485 H2 TIP3 7705 70.333 13.872 -16.258 1.00 0.00 WT1 H ATOM 22486 OH2 TIP3 7706 57.370 24.112 33.733 1.00 0.00 WT1 O ATOM 22487 H1 TIP3 7706 57.575 24.293 32.816 1.00 0.00 WT1 H ATOM 22488 H2 TIP3 7706 56.523 23.667 33.706 1.00 0.00 WT1 H ATOM 22489 OH2 TIP3 7707 78.862 15.736 -9.872 1.00 0.00 WT1 O ATOM 22490 H1 TIP3 7707 78.304 16.378 -9.433 1.00 0.00 WT1 H ATOM 22491 H2 TIP3 7707 78.249 15.144 -10.308 1.00 0.00 WT1 H ATOM 22492 OH2 TIP3 7708 54.013 89.505 4.393 1.00 0.00 WT1 O ATOM 22493 H1 TIP3 7708 53.866 88.825 5.050 1.00 0.00 WT1 H ATOM 22494 H2 TIP3 7708 53.654 90.300 4.786 1.00 0.00 WT1 H ATOM 22495 OH2 TIP3 7709 45.873 13.978 15.616 1.00 0.00 WT1 O ATOM 22496 H1 TIP3 7709 46.785 14.165 15.839 1.00 0.00 WT1 H ATOM 22497 H2 TIP3 7709 45.422 14.814 15.730 1.00 0.00 WT1 H ATOM 22498 OH2 TIP3 7710 35.234 95.401 25.079 1.00 0.00 WT1 O ATOM 22499 H1 TIP3 7710 34.670 95.961 24.544 1.00 0.00 WT1 H ATOM 22500 H2 TIP3 7710 35.349 95.887 25.895 1.00 0.00 WT1 H ATOM 22501 OH2 TIP3 7711 29.084 75.520 44.233 1.00 0.00 WT1 O ATOM 22502 H1 TIP3 7711 28.236 75.075 44.220 1.00 0.00 WT1 H ATOM 22503 H2 TIP3 7711 29.726 74.816 44.145 1.00 0.00 WT1 H ATOM 22504 OH2 TIP3 7712 69.995 21.976 62.074 1.00 0.00 WT1 O ATOM 22505 H1 TIP3 7712 69.401 22.725 62.038 1.00 0.00 WT1 H ATOM 22506 H2 TIP3 7712 70.026 21.651 61.174 1.00 0.00 WT1 H ATOM 22507 OH2 TIP3 7713 78.675 65.701 45.865 1.00 0.00 WT1 O ATOM 22508 H1 TIP3 7713 79.180 65.338 45.137 1.00 0.00 WT1 H ATOM 22509 H2 TIP3 7713 77.762 65.538 45.628 1.00 0.00 WT1 H ATOM 22510 OH2 TIP3 7714 52.193 5.748 7.602 1.00 0.00 WT1 O ATOM 22511 H1 TIP3 7714 52.197 6.449 8.253 1.00 0.00 WT1 H ATOM 22512 H2 TIP3 7714 51.643 5.066 7.988 1.00 0.00 WT1 H ATOM 22513 OH2 TIP3 7715 73.137 8.099 1.959 1.00 0.00 WT1 O ATOM 22514 H1 TIP3 7715 73.474 7.408 2.528 1.00 0.00 WT1 H ATOM 22515 H2 TIP3 7715 72.244 8.252 2.268 1.00 0.00 WT1 H ATOM 22516 OH2 TIP3 7716 74.999 90.898 38.334 1.00 0.00 WT1 O ATOM 22517 H1 TIP3 7716 74.076 91.123 38.213 1.00 0.00 WT1 H ATOM 22518 H2 TIP3 7716 75.232 91.286 39.177 1.00 0.00 WT1 H ATOM 22519 OH2 TIP3 7717 75.091 41.024 33.085 1.00 0.00 WT1 O ATOM 22520 H1 TIP3 7717 75.457 41.741 32.567 1.00 0.00 WT1 H ATOM 22521 H2 TIP3 7717 74.300 41.391 33.479 1.00 0.00 WT1 H ATOM 22522 OH2 TIP3 7718 27.022 19.950 -17.990 1.00 0.00 WT1 O ATOM 22523 H1 TIP3 7718 26.272 19.682 -17.459 1.00 0.00 WT1 H ATOM 22524 H2 TIP3 7718 27.781 19.804 -17.426 1.00 0.00 WT1 H ATOM 22525 OH2 TIP3 7719 85.498 83.048 6.213 1.00 0.00 WT1 O ATOM 22526 H1 TIP3 7719 86.078 82.506 6.749 1.00 0.00 WT1 H ATOM 22527 H2 TIP3 7719 84.616 82.800 6.490 1.00 0.00 WT1 H ATOM 22528 OH2 TIP3 7720 86.544 35.507 46.105 1.00 0.00 WT1 O ATOM 22529 H1 TIP3 7720 86.129 35.883 45.328 1.00 0.00 WT1 H ATOM 22530 H2 TIP3 7720 87.438 35.849 46.088 1.00 0.00 WT1 H ATOM 22531 OH2 TIP3 7721 66.738 43.454 12.848 1.00 0.00 WT1 O ATOM 22532 H1 TIP3 7721 66.405 43.718 13.705 1.00 0.00 WT1 H ATOM 22533 H2 TIP3 7721 66.556 42.516 12.798 1.00 0.00 WT1 H ATOM 22534 OH2 TIP3 7722 42.315 8.511 66.441 1.00 0.00 WT1 O ATOM 22535 H1 TIP3 7722 42.017 9.415 66.539 1.00 0.00 WT1 H ATOM 22536 H2 TIP3 7722 43.016 8.559 65.790 1.00 0.00 WT1 H ATOM 22537 OH2 TIP3 7723 38.582 9.452 -19.075 1.00 0.00 WT1 O ATOM 22538 H1 TIP3 7723 37.712 9.817 -19.234 1.00 0.00 WT1 H ATOM 22539 H2 TIP3 7723 38.529 8.554 -19.402 1.00 0.00 WT1 H ATOM 22540 OH2 TIP3 7724 21.239 66.074 13.106 1.00 0.00 WT1 O ATOM 22541 H1 TIP3 7724 21.827 66.017 13.860 1.00 0.00 WT1 H ATOM 22542 H2 TIP3 7724 21.644 65.516 12.443 1.00 0.00 WT1 H ATOM 22543 OH2 TIP3 7725 75.661 52.166 11.318 1.00 0.00 WT1 O ATOM 22544 H1 TIP3 7725 74.789 52.457 11.584 1.00 0.00 WT1 H ATOM 22545 H2 TIP3 7725 76.150 52.089 12.138 1.00 0.00 WT1 H ATOM 22546 OH2 TIP3 7726 73.676 69.746 52.440 1.00 0.00 WT1 O ATOM 22547 H1 TIP3 7726 72.839 69.561 52.866 1.00 0.00 WT1 H ATOM 22548 H2 TIP3 7726 73.503 70.515 51.897 1.00 0.00 WT1 H ATOM 22549 OH2 TIP3 7727 66.730 53.469 34.102 1.00 0.00 WT1 O ATOM 22550 H1 TIP3 7727 66.648 54.019 33.322 1.00 0.00 WT1 H ATOM 22551 H2 TIP3 7727 66.138 52.735 33.941 1.00 0.00 WT1 H ATOM 22552 OH2 TIP3 7728 73.899 52.740 27.526 1.00 0.00 WT1 O ATOM 22553 H1 TIP3 7728 73.694 53.606 27.880 1.00 0.00 WT1 H ATOM 22554 H2 TIP3 7728 73.088 52.242 27.626 1.00 0.00 WT1 H ATOM 22555 OH2 TIP3 7729 52.564 9.548 66.621 1.00 0.00 WT1 O ATOM 22556 H1 TIP3 7729 51.888 8.899 66.425 1.00 0.00 WT1 H ATOM 22557 H2 TIP3 7729 53.155 9.512 65.870 1.00 0.00 WT1 H ATOM 22558 OH2 TIP3 7730 59.204 34.998 54.077 1.00 0.00 WT1 O ATOM 22559 H1 TIP3 7730 59.448 35.524 54.839 1.00 0.00 WT1 H ATOM 22560 H2 TIP3 7730 58.454 35.457 53.698 1.00 0.00 WT1 H ATOM 22561 OH2 TIP3 7731 25.082 70.711 32.758 1.00 0.00 WT1 O ATOM 22562 H1 TIP3 7731 24.268 70.341 33.099 1.00 0.00 WT1 H ATOM 22563 H2 TIP3 7731 25.251 71.471 33.314 1.00 0.00 WT1 H ATOM 22564 OH2 TIP3 7732 71.729 24.518 58.013 1.00 0.00 WT1 O ATOM 22565 H1 TIP3 7732 72.549 24.027 57.959 1.00 0.00 WT1 H ATOM 22566 H2 TIP3 7732 71.613 24.890 57.139 1.00 0.00 WT1 H ATOM 22567 OH2 TIP3 7733 65.683 84.531 0.677 1.00 0.00 WT1 O ATOM 22568 H1 TIP3 7733 65.411 85.368 1.052 1.00 0.00 WT1 H ATOM 22569 H2 TIP3 7733 66.379 84.759 0.060 1.00 0.00 WT1 H ATOM 22570 OH2 TIP3 7734 90.570 32.142 17.132 1.00 0.00 WT1 O ATOM 22571 H1 TIP3 7734 90.647 32.453 18.034 1.00 0.00 WT1 H ATOM 22572 H2 TIP3 7734 89.729 31.687 17.106 1.00 0.00 WT1 H ATOM 22573 OH2 TIP3 7735 68.051 93.976 52.061 1.00 0.00 WT1 O ATOM 22574 H1 TIP3 7735 67.679 93.589 52.853 1.00 0.00 WT1 H ATOM 22575 H2 TIP3 7735 68.988 93.791 52.121 1.00 0.00 WT1 H ATOM 22576 OH2 TIP3 7736 33.889 45.207 -8.604 1.00 0.00 WT1 O ATOM 22577 H1 TIP3 7736 33.154 45.654 -9.023 1.00 0.00 WT1 H ATOM 22578 H2 TIP3 7736 33.484 44.495 -8.107 1.00 0.00 WT1 H ATOM 22579 OH2 TIP3 7737 69.484 32.811 -13.751 1.00 0.00 WT1 O ATOM 22580 H1 TIP3 7737 69.471 32.117 -14.411 1.00 0.00 WT1 H ATOM 22581 H2 TIP3 7737 69.408 32.349 -12.916 1.00 0.00 WT1 H ATOM 22582 OH2 TIP3 7738 59.345 91.715 46.105 1.00 0.00 WT1 O ATOM 22583 H1 TIP3 7738 59.088 91.383 45.244 1.00 0.00 WT1 H ATOM 22584 H2 TIP3 7738 60.249 92.007 45.989 1.00 0.00 WT1 H ATOM 22585 OH2 TIP3 7739 35.963 15.173 0.310 1.00 0.00 WT1 O ATOM 22586 H1 TIP3 7739 35.178 14.801 0.711 1.00 0.00 WT1 H ATOM 22587 H2 TIP3 7739 35.894 16.113 0.473 1.00 0.00 WT1 H ATOM 22588 OH2 TIP3 7740 49.175 48.312 9.905 1.00 0.00 WT1 O ATOM 22589 H1 TIP3 7740 49.316 47.373 10.027 1.00 0.00 WT1 H ATOM 22590 H2 TIP3 7740 49.707 48.725 10.585 1.00 0.00 WT1 H ATOM 22591 OH2 TIP3 7741 85.627 29.925 5.537 1.00 0.00 WT1 O ATOM 22592 H1 TIP3 7741 85.672 29.026 5.213 1.00 0.00 WT1 H ATOM 22593 H2 TIP3 7741 86.511 30.112 5.852 1.00 0.00 WT1 H ATOM 22594 OH2 TIP3 7742 84.446 92.110 42.692 1.00 0.00 WT1 O ATOM 22595 H1 TIP3 7742 85.309 92.282 43.070 1.00 0.00 WT1 H ATOM 22596 H2 TIP3 7742 84.524 91.240 42.301 1.00 0.00 WT1 H ATOM 22597 OH2 TIP3 7743 71.918 4.884 -4.647 1.00 0.00 WT1 O ATOM 22598 H1 TIP3 7743 71.013 5.097 -4.419 1.00 0.00 WT1 H ATOM 22599 H2 TIP3 7743 71.919 4.828 -5.602 1.00 0.00 WT1 H ATOM 22600 OH2 TIP3 7744 58.149 22.521 17.523 1.00 0.00 WT1 O ATOM 22601 H1 TIP3 7744 57.974 22.708 18.445 1.00 0.00 WT1 H ATOM 22602 H2 TIP3 7744 57.584 23.126 17.043 1.00 0.00 WT1 H ATOM 22603 OH2 TIP3 7745 66.779 24.252 52.827 1.00 0.00 WT1 O ATOM 22604 H1 TIP3 7745 66.128 24.920 52.610 1.00 0.00 WT1 H ATOM 22605 H2 TIP3 7745 67.585 24.744 52.985 1.00 0.00 WT1 H ATOM 22606 OH2 TIP3 7746 70.509 22.272 1.465 1.00 0.00 WT1 O ATOM 22607 H1 TIP3 7746 69.585 22.522 1.477 1.00 0.00 WT1 H ATOM 22608 H2 TIP3 7746 70.974 23.083 1.260 1.00 0.00 WT1 H ATOM 22609 OH2 TIP3 7747 85.728 52.864 13.004 1.00 0.00 WT1 O ATOM 22610 H1 TIP3 7747 85.994 53.558 13.608 1.00 0.00 WT1 H ATOM 22611 H2 TIP3 7747 86.110 53.116 12.164 1.00 0.00 WT1 H ATOM 22612 OH2 TIP3 7748 43.775 22.621 46.541 1.00 0.00 WT1 O ATOM 22613 H1 TIP3 7748 44.313 23.366 46.809 1.00 0.00 WT1 H ATOM 22614 H2 TIP3 7748 43.625 22.757 45.606 1.00 0.00 WT1 H ATOM 22615 OH2 TIP3 7750 61.644 18.156 47.960 1.00 0.00 WT1 O ATOM 22616 H1 TIP3 7750 61.503 17.884 47.053 1.00 0.00 WT1 H ATOM 22617 H2 TIP3 7750 61.838 17.344 48.427 1.00 0.00 WT1 H ATOM 22618 OH2 TIP3 7751 36.280 42.366 2.516 1.00 0.00 WT1 O ATOM 22619 H1 TIP3 7751 35.643 42.375 1.802 1.00 0.00 WT1 H ATOM 22620 H2 TIP3 7751 36.427 41.437 2.694 1.00 0.00 WT1 H ATOM 22621 OH2 TIP3 7752 22.761 47.573 9.751 1.00 0.00 WT1 O ATOM 22622 H1 TIP3 7752 23.713 47.579 9.848 1.00 0.00 WT1 H ATOM 22623 H2 TIP3 7752 22.429 47.698 10.641 1.00 0.00 WT1 H ATOM 22624 OH2 TIP3 7753 85.733 51.935 43.134 1.00 0.00 WT1 O ATOM 22625 H1 TIP3 7753 85.799 52.834 43.453 1.00 0.00 WT1 H ATOM 22626 H2 TIP3 7753 86.085 51.401 43.846 1.00 0.00 WT1 H ATOM 22627 OH2 TIP3 7754 89.453 41.334 25.212 1.00 0.00 WT1 O ATOM 22628 H1 TIP3 7754 88.953 42.082 25.537 1.00 0.00 WT1 H ATOM 22629 H2 TIP3 7754 88.857 40.892 24.607 1.00 0.00 WT1 H ATOM 22630 OH2 TIP3 7755 53.385 82.540 55.183 1.00 0.00 WT1 O ATOM 22631 H1 TIP3 7755 52.781 82.266 54.492 1.00 0.00 WT1 H ATOM 22632 H2 TIP3 7755 52.842 82.592 55.969 1.00 0.00 WT1 H ATOM 22633 OH2 TIP3 7757 85.733 96.158 52.250 1.00 0.00 WT1 O ATOM 22634 H1 TIP3 7757 85.500 95.236 52.357 1.00 0.00 WT1 H ATOM 22635 H2 TIP3 7757 84.895 96.620 52.261 1.00 0.00 WT1 H ATOM 22636 OH2 TIP3 7758 65.357 48.891 6.025 1.00 0.00 WT1 O ATOM 22637 H1 TIP3 7758 65.890 49.665 6.207 1.00 0.00 WT1 H ATOM 22638 H2 TIP3 7758 65.592 48.643 5.131 1.00 0.00 WT1 H ATOM 22639 OH2 TIP3 7759 67.581 86.962 3.303 1.00 0.00 WT1 O ATOM 22640 H1 TIP3 7759 67.525 86.021 3.467 1.00 0.00 WT1 H ATOM 22641 H2 TIP3 7759 68.077 87.035 2.488 1.00 0.00 WT1 H ATOM 22642 OH2 TIP3 7760 63.378 4.444 -17.416 1.00 0.00 WT1 O ATOM 22643 H1 TIP3 7760 64.287 4.496 -17.711 1.00 0.00 WT1 H ATOM 22644 H2 TIP3 7760 63.156 5.341 -17.165 1.00 0.00 WT1 H ATOM 22645 OH2 TIP3 7761 30.562 30.629 54.476 1.00 0.00 WT1 O ATOM 22646 H1 TIP3 7761 30.004 31.397 54.596 1.00 0.00 WT1 H ATOM 22647 H2 TIP3 7761 30.905 30.718 53.587 1.00 0.00 WT1 H ATOM 22648 OH2 TIP3 7763 38.396 42.634 12.294 1.00 0.00 WT1 O ATOM 22649 H1 TIP3 7763 39.301 42.932 12.391 1.00 0.00 WT1 H ATOM 22650 H2 TIP3 7763 38.351 41.832 12.815 1.00 0.00 WT1 H ATOM 22651 OH2 TIP3 7764 51.273 34.396 39.619 1.00 0.00 WT1 O ATOM 22652 H1 TIP3 7764 51.099 34.706 38.731 1.00 0.00 WT1 H ATOM 22653 H2 TIP3 7764 52.178 34.085 39.593 1.00 0.00 WT1 H ATOM 22654 OH2 TIP3 7765 78.566 89.657 31.416 1.00 0.00 WT1 O ATOM 22655 H1 TIP3 7765 78.934 89.828 30.550 1.00 0.00 WT1 H ATOM 22656 H2 TIP3 7765 77.966 90.388 31.570 1.00 0.00 WT1 H ATOM 22657 OH2 TIP3 7767 24.599 62.987 30.992 1.00 0.00 WT1 O ATOM 22658 H1 TIP3 7767 25.461 62.570 31.014 1.00 0.00 WT1 H ATOM 22659 H2 TIP3 7767 24.654 63.612 30.269 1.00 0.00 WT1 H ATOM 22660 OH2 TIP3 7768 24.915 81.739 61.588 1.00 0.00 WT1 O ATOM 22661 H1 TIP3 7768 25.784 81.707 61.187 1.00 0.00 WT1 H ATOM 22662 H2 TIP3 7768 24.308 81.654 60.852 1.00 0.00 WT1 H ATOM 22663 OH2 TIP3 7769 60.822 24.522 8.118 1.00 0.00 WT1 O ATOM 22664 H1 TIP3 7769 61.111 23.739 7.648 1.00 0.00 WT1 H ATOM 22665 H2 TIP3 7769 59.867 24.470 8.105 1.00 0.00 WT1 H ATOM 22666 OH2 TIP3 7770 30.777 38.218 50.775 1.00 0.00 WT1 O ATOM 22667 H1 TIP3 7770 30.635 38.636 49.925 1.00 0.00 WT1 H ATOM 22668 H2 TIP3 7770 31.720 38.289 50.922 1.00 0.00 WT1 H ATOM 22669 OH2 TIP3 7771 42.476 44.837 -9.726 1.00 0.00 WT1 O ATOM 22670 H1 TIP3 7771 42.806 45.456 -10.377 1.00 0.00 WT1 H ATOM 22671 H2 TIP3 7771 41.548 45.055 -9.636 1.00 0.00 WT1 H ATOM 22672 OH2 TIP3 7772 59.210 32.894 30.405 1.00 0.00 WT1 O ATOM 22673 H1 TIP3 7772 58.401 33.241 30.029 1.00 0.00 WT1 H ATOM 22674 H2 TIP3 7772 59.833 32.896 29.679 1.00 0.00 WT1 H ATOM 22675 OH2 TIP3 7773 40.328 87.852 40.446 1.00 0.00 WT1 O ATOM 22676 H1 TIP3 7773 40.287 86.970 40.076 1.00 0.00 WT1 H ATOM 22677 H2 TIP3 7773 40.975 87.787 41.149 1.00 0.00 WT1 H ATOM 22678 OH2 TIP3 7774 28.715 64.725 -15.413 1.00 0.00 WT1 O ATOM 22679 H1 TIP3 7774 28.431 64.185 -16.150 1.00 0.00 WT1 H ATOM 22680 H2 TIP3 7774 29.582 64.387 -15.187 1.00 0.00 WT1 H ATOM 22681 OH2 TIP3 7775 80.612 55.146 40.852 1.00 0.00 WT1 O ATOM 22682 H1 TIP3 7775 80.038 54.424 40.597 1.00 0.00 WT1 H ATOM 22683 H2 TIP3 7775 80.065 55.927 40.773 1.00 0.00 WT1 H ATOM 22684 OH2 TIP3 7776 72.925 16.167 -4.313 1.00 0.00 WT1 O ATOM 22685 H1 TIP3 7776 72.020 15.885 -4.186 1.00 0.00 WT1 H ATOM 22686 H2 TIP3 7776 72.915 17.104 -4.117 1.00 0.00 WT1 H ATOM 22687 OH2 TIP3 7777 63.550 53.914 -13.714 1.00 0.00 WT1 O ATOM 22688 H1 TIP3 7777 64.219 54.565 -13.925 1.00 0.00 WT1 H ATOM 22689 H2 TIP3 7777 64.020 53.233 -13.233 1.00 0.00 WT1 H ATOM 22690 OH2 TIP3 7778 75.562 25.530 5.244 1.00 0.00 WT1 O ATOM 22691 H1 TIP3 7778 76.357 25.826 5.689 1.00 0.00 WT1 H ATOM 22692 H2 TIP3 7778 75.071 26.333 5.070 1.00 0.00 WT1 H ATOM 22693 OH2 TIP3 7779 77.027 77.742 31.648 1.00 0.00 WT1 O ATOM 22694 H1 TIP3 7779 77.531 78.301 32.240 1.00 0.00 WT1 H ATOM 22695 H2 TIP3 7779 76.586 77.118 32.225 1.00 0.00 WT1 H ATOM 22696 OH2 TIP3 7780 43.989 6.509 6.718 1.00 0.00 WT1 O ATOM 22697 H1 TIP3 7780 44.854 6.370 7.105 1.00 0.00 WT1 H ATOM 22698 H2 TIP3 7780 43.423 5.879 7.164 1.00 0.00 WT1 H ATOM 22699 OH2 TIP3 7781 39.430 19.743 -0.402 1.00 0.00 WT1 O ATOM 22700 H1 TIP3 7781 38.879 20.298 0.150 1.00 0.00 WT1 H ATOM 22701 H2 TIP3 7781 40.191 19.543 0.142 1.00 0.00 WT1 H ATOM 22702 OH2 TIP3 7782 68.154 86.224 30.275 1.00 0.00 WT1 O ATOM 22703 H1 TIP3 7782 68.289 87.147 30.491 1.00 0.00 WT1 H ATOM 22704 H2 TIP3 7782 68.459 86.142 29.371 1.00 0.00 WT1 H ATOM 22705 OH2 TIP3 7783 71.697 36.296 -7.488 1.00 0.00 WT1 O ATOM 22706 H1 TIP3 7783 72.172 37.121 -7.383 1.00 0.00 WT1 H ATOM 22707 H2 TIP3 7783 72.063 35.908 -8.282 1.00 0.00 WT1 H ATOM 22708 OH2 TIP3 7784 38.155 7.849 60.931 1.00 0.00 WT1 O ATOM 22709 H1 TIP3 7784 37.254 7.534 60.857 1.00 0.00 WT1 H ATOM 22710 H2 TIP3 7784 38.609 7.166 61.424 1.00 0.00 WT1 H ATOM 22711 OH2 TIP3 7785 64.101 14.000 34.120 1.00 0.00 WT1 O ATOM 22712 H1 TIP3 7785 63.709 13.270 33.641 1.00 0.00 WT1 H ATOM 22713 H2 TIP3 7785 63.498 14.730 33.980 1.00 0.00 WT1 H ATOM 22714 OH2 TIP3 7787 54.000 21.883 51.145 1.00 0.00 WT1 O ATOM 22715 H1 TIP3 7787 54.050 21.320 50.373 1.00 0.00 WT1 H ATOM 22716 H2 TIP3 7787 53.161 22.335 51.060 1.00 0.00 WT1 H ATOM 22717 OH2 TIP3 7788 86.420 4.916 -17.470 1.00 0.00 WT1 O ATOM 22718 H1 TIP3 7788 86.123 5.770 -17.783 1.00 0.00 WT1 H ATOM 22719 H2 TIP3 7788 87.208 5.108 -16.961 1.00 0.00 WT1 H ATOM 22720 OH2 TIP3 7789 71.251 67.198 15.538 1.00 0.00 WT1 O ATOM 22721 H1 TIP3 7789 71.004 67.083 16.455 1.00 0.00 WT1 H ATOM 22722 H2 TIP3 7789 70.827 66.471 15.082 1.00 0.00 WT1 H ATOM 22723 OH2 TIP3 7790 47.036 54.170 46.208 1.00 0.00 WT1 O ATOM 22724 H1 TIP3 7790 46.235 54.671 46.058 1.00 0.00 WT1 H ATOM 22725 H2 TIP3 7790 47.644 54.483 45.538 1.00 0.00 WT1 H ATOM 22726 OH2 TIP3 7791 27.292 66.608 55.736 1.00 0.00 WT1 O ATOM 22727 H1 TIP3 7791 27.972 65.936 55.767 1.00 0.00 WT1 H ATOM 22728 H2 TIP3 7791 26.986 66.600 54.829 1.00 0.00 WT1 H ATOM 22729 OH2 TIP3 7792 60.383 5.875 40.133 1.00 0.00 WT1 O ATOM 22730 H1 TIP3 7792 60.330 6.624 40.726 1.00 0.00 WT1 H ATOM 22731 H2 TIP3 7792 59.513 5.479 40.167 1.00 0.00 WT1 H ATOM 22732 OH2 TIP3 7793 37.549 67.259 2.315 1.00 0.00 WT1 O ATOM 22733 H1 TIP3 7793 38.437 67.049 2.604 1.00 0.00 WT1 H ATOM 22734 H2 TIP3 7793 37.007 66.557 2.676 1.00 0.00 WT1 H ATOM 22735 OH2 TIP3 7794 62.271 37.547 34.492 1.00 0.00 WT1 O ATOM 22736 H1 TIP3 7794 61.992 38.371 34.093 1.00 0.00 WT1 H ATOM 22737 H2 TIP3 7794 61.463 37.045 34.595 1.00 0.00 WT1 H ATOM 22738 OH2 TIP3 7796 21.071 16.175 49.936 1.00 0.00 WT1 O ATOM 22739 H1 TIP3 7796 21.725 15.627 49.504 1.00 0.00 WT1 H ATOM 22740 H2 TIP3 7796 21.436 17.059 49.900 1.00 0.00 WT1 H ATOM 22741 OH2 TIP3 7797 42.961 93.442 -5.730 1.00 0.00 WT1 O ATOM 22742 H1 TIP3 7797 42.442 92.897 -5.138 1.00 0.00 WT1 H ATOM 22743 H2 TIP3 7797 42.784 93.084 -6.601 1.00 0.00 WT1 H ATOM 22744 OH2 TIP3 7798 76.935 70.638 23.811 1.00 0.00 WT1 O ATOM 22745 H1 TIP3 7798 76.079 70.237 23.964 1.00 0.00 WT1 H ATOM 22746 H2 TIP3 7798 76.733 71.510 23.471 1.00 0.00 WT1 H ATOM 22747 OH2 TIP3 7799 49.088 49.134 64.486 1.00 0.00 WT1 O ATOM 22748 H1 TIP3 7799 49.334 49.846 65.077 1.00 0.00 WT1 H ATOM 22749 H2 TIP3 7799 49.822 49.064 63.876 1.00 0.00 WT1 H ATOM 22750 OH2 TIP3 7800 65.486 64.205 26.354 1.00 0.00 WT1 O ATOM 22751 H1 TIP3 7800 64.542 64.326 26.455 1.00 0.00 WT1 H ATOM 22752 H2 TIP3 7800 65.574 63.615 25.605 1.00 0.00 WT1 H ATOM 22753 OH2 TIP3 7801 68.692 65.079 36.392 1.00 0.00 WT1 O ATOM 22754 H1 TIP3 7801 67.934 65.585 36.101 1.00 0.00 WT1 H ATOM 22755 H2 TIP3 7801 68.319 64.347 36.883 1.00 0.00 WT1 H ATOM 22756 OH2 TIP3 7803 71.060 11.008 -13.201 1.00 0.00 WT1 O ATOM 22757 H1 TIP3 7803 70.193 11.082 -12.803 1.00 0.00 WT1 H ATOM 22758 H2 TIP3 7803 71.548 10.435 -12.610 1.00 0.00 WT1 H ATOM 22759 OH2 TIP3 7804 61.629 83.746 13.824 1.00 0.00 WT1 O ATOM 22760 H1 TIP3 7804 62.369 83.913 13.240 1.00 0.00 WT1 H ATOM 22761 H2 TIP3 7804 61.335 82.865 13.592 1.00 0.00 WT1 H ATOM 22762 OH2 TIP3 7805 30.436 87.066 49.827 1.00 0.00 WT1 O ATOM 22763 H1 TIP3 7805 29.535 86.811 49.629 1.00 0.00 WT1 H ATOM 22764 H2 TIP3 7805 30.749 86.391 50.430 1.00 0.00 WT1 H ATOM 22765 OH2 TIP3 7807 34.448 8.350 8.565 1.00 0.00 WT1 O ATOM 22766 H1 TIP3 7807 35.363 8.570 8.741 1.00 0.00 WT1 H ATOM 22767 H2 TIP3 7807 34.480 7.469 8.193 1.00 0.00 WT1 H ATOM 22768 OH2 TIP3 7808 50.172 32.419 12.640 1.00 0.00 WT1 O ATOM 22769 H1 TIP3 7808 49.666 32.107 13.389 1.00 0.00 WT1 H ATOM 22770 H2 TIP3 7808 49.521 32.565 11.954 1.00 0.00 WT1 H ATOM 22771 OH2 TIP3 7809 68.182 28.482 20.723 1.00 0.00 WT1 O ATOM 22772 H1 TIP3 7809 68.180 29.436 20.795 1.00 0.00 WT1 H ATOM 22773 H2 TIP3 7809 69.053 28.268 20.390 1.00 0.00 WT1 H ATOM 22774 OH2 TIP3 7810 72.551 91.606 16.759 1.00 0.00 WT1 O ATOM 22775 H1 TIP3 7810 73.184 91.051 17.214 1.00 0.00 WT1 H ATOM 22776 H2 TIP3 7810 73.045 92.391 16.524 1.00 0.00 WT1 H ATOM 22777 OH2 TIP3 7811 37.071 29.967 -16.377 1.00 0.00 WT1 O ATOM 22778 H1 TIP3 7811 36.984 30.826 -15.962 1.00 0.00 WT1 H ATOM 22779 H2 TIP3 7811 36.655 30.071 -17.233 1.00 0.00 WT1 H ATOM 22780 OH2 TIP3 7812 45.684 62.024 67.437 1.00 0.00 WT1 O ATOM 22781 H1 TIP3 7812 46.433 61.550 67.077 1.00 0.00 WT1 H ATOM 22782 H2 TIP3 7812 45.128 62.206 66.679 1.00 0.00 WT1 H ATOM 22783 OH2 TIP3 7813 79.779 44.045 5.006 1.00 0.00 WT1 O ATOM 22784 H1 TIP3 7813 79.610 44.941 4.715 1.00 0.00 WT1 H ATOM 22785 H2 TIP3 7813 79.674 44.078 5.957 1.00 0.00 WT1 H ATOM 22786 OH2 TIP3 7814 41.644 29.515 60.850 1.00 0.00 WT1 O ATOM 22787 H1 TIP3 7814 41.061 30.115 60.384 1.00 0.00 WT1 H ATOM 22788 H2 TIP3 7814 41.361 29.565 61.763 1.00 0.00 WT1 H ATOM 22789 OH2 TIP3 7815 80.859 2.202 -16.996 1.00 0.00 WT1 O ATOM 22790 H1 TIP3 7815 80.036 1.741 -16.836 1.00 0.00 WT1 H ATOM 22791 H2 TIP3 7815 81.526 1.653 -16.585 1.00 0.00 WT1 H ATOM 22792 OH2 TIP3 7816 35.897 17.758 1.023 1.00 0.00 WT1 O ATOM 22793 H1 TIP3 7816 35.946 18.604 0.577 1.00 0.00 WT1 H ATOM 22794 H2 TIP3 7816 36.499 17.842 1.763 1.00 0.00 WT1 H ATOM 22795 OH2 TIP3 7817 85.118 43.796 26.317 1.00 0.00 WT1 O ATOM 22796 H1 TIP3 7817 85.335 44.626 26.743 1.00 0.00 WT1 H ATOM 22797 H2 TIP3 7817 84.891 44.040 25.419 1.00 0.00 WT1 H ATOM 22798 OH2 TIP3 7818 44.957 64.884 -16.771 1.00 0.00 WT1 O ATOM 22799 H1 TIP3 7818 44.731 65.808 -16.664 1.00 0.00 WT1 H ATOM 22800 H2 TIP3 7818 44.117 64.427 -16.741 1.00 0.00 WT1 H ATOM 22801 OH2 TIP3 7819 34.953 22.677 54.223 1.00 0.00 WT1 O ATOM 22802 H1 TIP3 7819 35.717 23.244 54.117 1.00 0.00 WT1 H ATOM 22803 H2 TIP3 7819 35.115 22.206 55.040 1.00 0.00 WT1 H ATOM 22804 OH2 TIP3 7820 46.348 75.148 -8.207 1.00 0.00 WT1 O ATOM 22805 H1 TIP3 7820 45.512 74.937 -7.791 1.00 0.00 WT1 H ATOM 22806 H2 TIP3 7820 46.382 74.580 -8.977 1.00 0.00 WT1 H ATOM 22807 OH2 TIP3 7821 29.709 46.256 10.376 1.00 0.00 WT1 O ATOM 22808 H1 TIP3 7821 29.616 47.027 9.816 1.00 0.00 WT1 H ATOM 22809 H2 TIP3 7821 28.996 46.331 11.009 1.00 0.00 WT1 H ATOM 22810 OH2 TIP3 7822 78.341 35.297 39.106 1.00 0.00 WT1 O ATOM 22811 H1 TIP3 7822 77.875 35.650 39.863 1.00 0.00 WT1 H ATOM 22812 H2 TIP3 7822 79.208 35.698 39.149 1.00 0.00 WT1 H ATOM 22813 OH2 TIP3 7823 80.950 63.504 27.226 1.00 0.00 WT1 O ATOM 22814 H1 TIP3 7823 81.762 63.003 27.305 1.00 0.00 WT1 H ATOM 22815 H2 TIP3 7823 80.752 63.782 28.120 1.00 0.00 WT1 H ATOM 22816 OH2 TIP3 7824 76.094 17.346 -2.062 1.00 0.00 WT1 O ATOM 22817 H1 TIP3 7824 76.551 17.066 -1.269 1.00 0.00 WT1 H ATOM 22818 H2 TIP3 7824 76.755 17.822 -2.565 1.00 0.00 WT1 H ATOM 22819 OH2 TIP3 7825 79.703 49.110 -9.979 1.00 0.00 WT1 O ATOM 22820 H1 TIP3 7825 79.856 49.441 -9.094 1.00 0.00 WT1 H ATOM 22821 H2 TIP3 7825 79.502 49.891 -10.496 1.00 0.00 WT1 H ATOM 22822 OH2 TIP3 7826 36.005 58.796 13.698 1.00 0.00 WT1 O ATOM 22823 H1 TIP3 7826 36.554 59.346 14.256 1.00 0.00 WT1 H ATOM 22824 H2 TIP3 7826 36.435 58.817 12.843 1.00 0.00 WT1 H ATOM 22825 OH2 TIP3 7827 22.471 6.315 57.893 1.00 0.00 WT1 O ATOM 22826 H1 TIP3 7827 23.201 6.197 58.501 1.00 0.00 WT1 H ATOM 22827 H2 TIP3 7827 22.852 6.775 57.146 1.00 0.00 WT1 H ATOM 22828 OH2 TIP3 7828 86.247 68.980 55.765 1.00 0.00 WT1 O ATOM 22829 H1 TIP3 7828 86.634 69.844 55.905 1.00 0.00 WT1 H ATOM 22830 H2 TIP3 7828 86.991 68.413 55.562 1.00 0.00 WT1 H ATOM 22831 OH2 TIP3 7829 77.222 47.221 37.555 1.00 0.00 WT1 O ATOM 22832 H1 TIP3 7829 76.931 47.899 36.945 1.00 0.00 WT1 H ATOM 22833 H2 TIP3 7829 78.151 47.406 37.695 1.00 0.00 WT1 H ATOM 22834 OH2 TIP3 7830 40.746 36.750 29.935 1.00 0.00 WT1 O ATOM 22835 H1 TIP3 7830 41.559 36.464 30.352 1.00 0.00 WT1 H ATOM 22836 H2 TIP3 7830 41.032 37.282 29.192 1.00 0.00 WT1 H ATOM 22837 OH2 TIP3 7831 53.695 47.031 18.738 1.00 0.00 WT1 O ATOM 22838 H1 TIP3 7831 53.558 47.919 19.067 1.00 0.00 WT1 H ATOM 22839 H2 TIP3 7831 52.936 46.539 19.052 1.00 0.00 WT1 H ATOM 22840 OH2 TIP3 7832 44.130 8.476 64.275 1.00 0.00 WT1 O ATOM 22841 H1 TIP3 7832 44.942 8.888 64.569 1.00 0.00 WT1 H ATOM 22842 H2 TIP3 7832 44.370 8.025 63.465 1.00 0.00 WT1 H ATOM 22843 OH2 TIP3 7833 62.963 52.057 2.517 1.00 0.00 WT1 O ATOM 22844 H1 TIP3 7833 62.439 52.804 2.229 1.00 0.00 WT1 H ATOM 22845 H2 TIP3 7833 63.312 52.322 3.368 1.00 0.00 WT1 H ATOM 22846 OH2 TIP3 7834 49.372 41.695 32.821 1.00 0.00 WT1 O ATOM 22847 H1 TIP3 7834 50.255 41.725 32.453 1.00 0.00 WT1 H ATOM 22848 H2 TIP3 7834 48.999 40.881 32.483 1.00 0.00 WT1 H ATOM 22849 OH2 TIP3 7835 60.114 24.556 -12.697 1.00 0.00 WT1 O ATOM 22850 H1 TIP3 7835 59.995 23.855 -13.338 1.00 0.00 WT1 H ATOM 22851 H2 TIP3 7835 59.295 25.050 -12.725 1.00 0.00 WT1 H ATOM 22852 OH2 TIP3 7836 78.273 52.393 -2.546 1.00 0.00 WT1 O ATOM 22853 H1 TIP3 7836 78.992 52.249 -3.162 1.00 0.00 WT1 H ATOM 22854 H2 TIP3 7836 78.488 53.219 -2.115 1.00 0.00 WT1 H ATOM 22855 OH2 TIP3 7837 27.528 83.408 0.094 1.00 0.00 WT1 O ATOM 22856 H1 TIP3 7837 28.007 84.227 -0.035 1.00 0.00 WT1 H ATOM 22857 H2 TIP3 7837 27.785 83.113 0.967 1.00 0.00 WT1 H ATOM 22858 OH2 TIP3 7838 20.239 73.712 -19.339 1.00 0.00 WT1 O ATOM 22859 H1 TIP3 7838 20.495 74.362 -19.993 1.00 0.00 WT1 H ATOM 22860 H2 TIP3 7838 20.573 74.060 -18.512 1.00 0.00 WT1 H ATOM 22861 OH2 TIP3 7839 28.995 34.736 47.102 1.00 0.00 WT1 O ATOM 22862 H1 TIP3 7839 28.820 35.248 46.313 1.00 0.00 WT1 H ATOM 22863 H2 TIP3 7839 29.940 34.813 47.234 1.00 0.00 WT1 H ATOM 22864 OH2 TIP3 7840 46.453 61.472 -8.004 1.00 0.00 WT1 O ATOM 22865 H1 TIP3 7840 46.755 61.181 -7.144 1.00 0.00 WT1 H ATOM 22866 H2 TIP3 7840 46.306 62.413 -7.902 1.00 0.00 WT1 H ATOM 22867 OH2 TIP3 7841 51.399 84.607 24.123 1.00 0.00 WT1 O ATOM 22868 H1 TIP3 7841 51.949 84.784 24.886 1.00 0.00 WT1 H ATOM 22869 H2 TIP3 7841 50.504 84.630 24.461 1.00 0.00 WT1 H ATOM 22870 OH2 TIP3 7842 33.027 3.042 20.856 1.00 0.00 WT1 O ATOM 22871 H1 TIP3 7842 33.867 3.451 21.065 1.00 0.00 WT1 H ATOM 22872 H2 TIP3 7842 32.391 3.507 21.398 1.00 0.00 WT1 H ATOM 22873 OH2 TIP3 7843 22.707 15.272 61.217 1.00 0.00 WT1 O ATOM 22874 H1 TIP3 7843 22.081 15.387 61.931 1.00 0.00 WT1 H ATOM 22875 H2 TIP3 7843 23.527 15.035 61.652 1.00 0.00 WT1 H ATOM 22876 OH2 TIP3 7844 76.677 50.410 19.574 1.00 0.00 WT1 O ATOM 22877 H1 TIP3 7844 76.382 49.826 20.273 1.00 0.00 WT1 H ATOM 22878 H2 TIP3 7844 76.369 51.277 19.839 1.00 0.00 WT1 H ATOM 22879 OH2 TIP3 7845 78.617 42.192 32.970 1.00 0.00 WT1 O ATOM 22880 H1 TIP3 7845 78.882 41.279 32.854 1.00 0.00 WT1 H ATOM 22881 H2 TIP3 7845 78.059 42.377 32.215 1.00 0.00 WT1 H ATOM 22882 OH2 TIP3 7846 73.994 40.010 50.518 1.00 0.00 WT1 O ATOM 22883 H1 TIP3 7846 73.608 39.148 50.676 1.00 0.00 WT1 H ATOM 22884 H2 TIP3 7846 74.938 39.865 50.580 1.00 0.00 WT1 H ATOM 22885 OH2 TIP3 7847 67.772 60.584 2.569 1.00 0.00 WT1 O ATOM 22886 H1 TIP3 7847 67.824 59.903 3.240 1.00 0.00 WT1 H ATOM 22887 H2 TIP3 7847 68.474 61.195 2.794 1.00 0.00 WT1 H ATOM 22888 OH2 TIP3 7849 80.865 28.947 -15.466 1.00 0.00 WT1 O ATOM 22889 H1 TIP3 7849 80.360 28.743 -14.678 1.00 0.00 WT1 H ATOM 22890 H2 TIP3 7849 80.347 28.584 -16.184 1.00 0.00 WT1 H ATOM 22891 OH2 TIP3 7850 77.863 56.870 35.273 1.00 0.00 WT1 O ATOM 22892 H1 TIP3 7850 77.522 56.621 34.415 1.00 0.00 WT1 H ATOM 22893 H2 TIP3 7850 78.306 57.705 35.122 1.00 0.00 WT1 H ATOM 22894 OH2 TIP3 7851 69.286 35.948 9.914 1.00 0.00 WT1 O ATOM 22895 H1 TIP3 7851 68.645 35.861 10.620 1.00 0.00 WT1 H ATOM 22896 H2 TIP3 7851 68.758 36.014 9.118 1.00 0.00 WT1 H ATOM 22897 OH2 TIP3 7852 76.687 35.713 -17.477 1.00 0.00 WT1 O ATOM 22898 H1 TIP3 7852 77.104 34.991 -17.947 1.00 0.00 WT1 H ATOM 22899 H2 TIP3 7852 77.409 36.298 -17.246 1.00 0.00 WT1 H ATOM 22900 OH2 TIP3 7853 82.146 15.559 57.539 1.00 0.00 WT1 O ATOM 22901 H1 TIP3 7853 83.025 15.782 57.233 1.00 0.00 WT1 H ATOM 22902 H2 TIP3 7853 81.602 15.596 56.752 1.00 0.00 WT1 H ATOM 22903 OH2 TIP3 7854 86.209 24.096 -17.505 1.00 0.00 WT1 O ATOM 22904 H1 TIP3 7854 86.034 24.975 -17.169 1.00 0.00 WT1 H ATOM 22905 H2 TIP3 7854 86.430 23.582 -16.729 1.00 0.00 WT1 H ATOM 22906 OH2 TIP3 7856 60.818 24.035 -1.616 1.00 0.00 WT1 O ATOM 22907 H1 TIP3 7856 61.208 23.195 -1.372 1.00 0.00 WT1 H ATOM 22908 H2 TIP3 7856 60.264 24.268 -0.871 1.00 0.00 WT1 H ATOM 22909 OH2 TIP3 7857 86.438 7.244 9.008 1.00 0.00 WT1 O ATOM 22910 H1 TIP3 7857 85.627 7.717 9.195 1.00 0.00 WT1 H ATOM 22911 H2 TIP3 7857 86.858 7.754 8.315 1.00 0.00 WT1 H ATOM 22912 OH2 TIP3 7858 23.756 96.109 -5.051 1.00 0.00 WT1 O ATOM 22913 H1 TIP3 7858 23.846 96.558 -4.211 1.00 0.00 WT1 H ATOM 22914 H2 TIP3 7858 23.674 95.183 -4.821 1.00 0.00 WT1 H ATOM 22915 OH2 TIP3 7859 33.948 33.063 -1.744 1.00 0.00 WT1 O ATOM 22916 H1 TIP3 7859 34.509 33.677 -2.217 1.00 0.00 WT1 H ATOM 22917 H2 TIP3 7859 33.817 33.468 -0.887 1.00 0.00 WT1 H ATOM 22918 OH2 TIP3 7860 87.449 28.688 30.723 1.00 0.00 WT1 O ATOM 22919 H1 TIP3 7860 87.607 29.534 30.306 1.00 0.00 WT1 H ATOM 22920 H2 TIP3 7860 88.143 28.121 30.387 1.00 0.00 WT1 H ATOM 22921 OH2 TIP3 7861 61.894 50.084 4.713 1.00 0.00 WT1 O ATOM 22922 H1 TIP3 7861 62.451 50.731 4.280 1.00 0.00 WT1 H ATOM 22923 H2 TIP3 7861 62.165 50.109 5.630 1.00 0.00 WT1 H ATOM 22924 OH2 TIP3 7862 75.212 57.353 10.349 1.00 0.00 WT1 O ATOM 22925 H1 TIP3 7862 74.444 57.900 10.514 1.00 0.00 WT1 H ATOM 22926 H2 TIP3 7862 75.189 56.693 11.041 1.00 0.00 WT1 H ATOM 22927 OH2 TIP3 7863 34.356 80.816 39.354 1.00 0.00 WT1 O ATOM 22928 H1 TIP3 7863 34.142 80.197 40.053 1.00 0.00 WT1 H ATOM 22929 H2 TIP3 7863 34.680 81.592 39.811 1.00 0.00 WT1 H ATOM 22930 OH2 TIP3 7864 49.613 75.559 1.491 1.00 0.00 WT1 O ATOM 22931 H1 TIP3 7864 50.359 75.272 2.018 1.00 0.00 WT1 H ATOM 22932 H2 TIP3 7864 48.884 75.603 2.111 1.00 0.00 WT1 H ATOM 22933 OH2 TIP3 7865 61.120 40.694 -16.232 1.00 0.00 WT1 O ATOM 22934 H1 TIP3 7865 61.757 41.408 -16.240 1.00 0.00 WT1 H ATOM 22935 H2 TIP3 7865 61.510 40.031 -15.661 1.00 0.00 WT1 H ATOM 22936 OH2 TIP3 7866 66.089 21.337 24.664 1.00 0.00 WT1 O ATOM 22937 H1 TIP3 7866 65.888 20.898 25.490 1.00 0.00 WT1 H ATOM 22938 H2 TIP3 7866 65.321 21.880 24.488 1.00 0.00 WT1 H ATOM 22939 OH2 TIP3 7867 60.593 21.521 9.026 1.00 0.00 WT1 O ATOM 22940 H1 TIP3 7867 59.760 21.462 8.558 1.00 0.00 WT1 H ATOM 22941 H2 TIP3 7867 60.382 21.263 9.924 1.00 0.00 WT1 H ATOM 22942 OH2 TIP3 7868 85.123 1.691 54.879 1.00 0.00 WT1 O ATOM 22943 H1 TIP3 7868 86.006 1.528 54.548 1.00 0.00 WT1 H ATOM 22944 H2 TIP3 7868 85.233 2.395 55.519 1.00 0.00 WT1 H ATOM 22945 OH2 TIP3 7869 41.223 2.521 47.360 1.00 0.00 WT1 O ATOM 22946 H1 TIP3 7869 42.084 2.305 47.002 1.00 0.00 WT1 H ATOM 22947 H2 TIP3 7869 41.064 3.421 47.075 1.00 0.00 WT1 H ATOM 22948 OH2 TIP3 7870 48.738 18.618 -16.070 1.00 0.00 WT1 O ATOM 22949 H1 TIP3 7870 49.551 18.705 -15.574 1.00 0.00 WT1 H ATOM 22950 H2 TIP3 7870 49.008 18.252 -16.912 1.00 0.00 WT1 H ATOM 22951 OH2 TIP3 7871 62.183 82.823 55.441 1.00 0.00 WT1 O ATOM 22952 H1 TIP3 7871 62.748 82.064 55.295 1.00 0.00 WT1 H ATOM 22953 H2 TIP3 7871 61.914 82.749 56.357 1.00 0.00 WT1 H ATOM 22954 OH2 TIP3 7872 88.793 75.749 65.580 1.00 0.00 WT1 O ATOM 22955 H1 TIP3 7872 89.653 75.887 65.976 1.00 0.00 WT1 H ATOM 22956 H2 TIP3 7872 88.946 75.104 64.890 1.00 0.00 WT1 H ATOM 22957 OH2 TIP3 7874 89.605 62.612 26.345 1.00 0.00 WT1 O ATOM 22958 H1 TIP3 7874 90.458 62.319 26.024 1.00 0.00 WT1 H ATOM 22959 H2 TIP3 7874 89.059 62.666 25.560 1.00 0.00 WT1 H ATOM 22960 OH2 TIP3 7875 54.958 74.696 50.545 1.00 0.00 WT1 O ATOM 22961 H1 TIP3 7875 55.752 74.201 50.344 1.00 0.00 WT1 H ATOM 22962 H2 TIP3 7875 54.719 74.418 51.429 1.00 0.00 WT1 H ATOM 22963 OH2 TIP3 7877 71.176 74.727 1.605 1.00 0.00 WT1 O ATOM 22964 H1 TIP3 7877 70.811 75.607 1.698 1.00 0.00 WT1 H ATOM 22965 H2 TIP3 7877 70.500 74.235 1.139 1.00 0.00 WT1 H ATOM 22966 OH2 TIP3 7878 86.444 71.624 63.890 1.00 0.00 WT1 O ATOM 22967 H1 TIP3 7878 85.893 72.260 64.345 1.00 0.00 WT1 H ATOM 22968 H2 TIP3 7878 85.844 71.163 63.303 1.00 0.00 WT1 H ATOM 22969 OH2 TIP3 7879 29.650 89.765 62.435 1.00 0.00 WT1 O ATOM 22970 H1 TIP3 7879 29.235 90.572 62.130 1.00 0.00 WT1 H ATOM 22971 H2 TIP3 7879 30.413 89.658 61.868 1.00 0.00 WT1 H ATOM 22972 OH2 TIP3 7880 85.832 7.038 -9.215 1.00 0.00 WT1 O ATOM 22973 H1 TIP3 7880 85.834 7.993 -9.278 1.00 0.00 WT1 H ATOM 22974 H2 TIP3 7880 85.503 6.857 -8.334 1.00 0.00 WT1 H ATOM 22975 OH2 TIP3 7881 50.875 74.926 -11.393 1.00 0.00 WT1 O ATOM 22976 H1 TIP3 7881 51.717 74.476 -11.459 1.00 0.00 WT1 H ATOM 22977 H2 TIP3 7881 50.250 74.234 -11.177 1.00 0.00 WT1 H ATOM 22978 OH2 TIP3 7882 89.480 43.753 64.699 1.00 0.00 WT1 O ATOM 22979 H1 TIP3 7882 90.006 44.549 64.769 1.00 0.00 WT1 H ATOM 22980 H2 TIP3 7882 90.122 43.048 64.610 1.00 0.00 WT1 H ATOM 22981 OH2 TIP3 7883 88.525 71.017 -10.847 1.00 0.00 WT1 O ATOM 22982 H1 TIP3 7883 88.947 70.395 -10.254 1.00 0.00 WT1 H ATOM 22983 H2 TIP3 7883 88.005 71.580 -10.274 1.00 0.00 WT1 H ATOM 22984 OH2 TIP3 7884 26.362 51.736 12.427 1.00 0.00 WT1 O ATOM 22985 H1 TIP3 7884 27.110 51.155 12.287 1.00 0.00 WT1 H ATOM 22986 H2 TIP3 7884 25.888 51.720 11.596 1.00 0.00 WT1 H ATOM 22987 OH2 TIP3 7885 38.508 56.439 -3.490 1.00 0.00 WT1 O ATOM 22988 H1 TIP3 7885 37.952 56.882 -2.849 1.00 0.00 WT1 H ATOM 22989 H2 TIP3 7885 39.028 57.140 -3.883 1.00 0.00 WT1 H ATOM 22990 OH2 TIP3 7886 87.211 19.947 2.504 1.00 0.00 WT1 O ATOM 22991 H1 TIP3 7886 86.733 19.124 2.605 1.00 0.00 WT1 H ATOM 22992 H2 TIP3 7886 86.977 20.254 1.628 1.00 0.00 WT1 H ATOM 22993 OH2 TIP3 7887 89.892 49.999 1.056 1.00 0.00 WT1 O ATOM 22994 H1 TIP3 7887 89.535 50.339 1.877 1.00 0.00 WT1 H ATOM 22995 H2 TIP3 7887 90.322 50.752 0.651 1.00 0.00 WT1 H ATOM 22996 OH2 TIP3 7889 57.616 57.011 -14.518 1.00 0.00 WT1 O ATOM 22997 H1 TIP3 7889 56.962 57.202 -15.190 1.00 0.00 WT1 H ATOM 22998 H2 TIP3 7889 57.601 56.057 -14.433 1.00 0.00 WT1 H ATOM 22999 OH2 TIP3 7890 37.602 26.601 15.301 1.00 0.00 WT1 O ATOM 23000 H1 TIP3 7890 36.781 26.113 15.363 1.00 0.00 WT1 H ATOM 23001 H2 TIP3 7890 37.434 27.414 15.777 1.00 0.00 WT1 H ATOM 23002 OH2 TIP3 7891 26.385 56.748 23.834 1.00 0.00 WT1 O ATOM 23003 H1 TIP3 7891 27.040 56.440 24.461 1.00 0.00 WT1 H ATOM 23004 H2 TIP3 7891 26.027 55.948 23.449 1.00 0.00 WT1 H ATOM 23005 OH2 TIP3 7892 27.934 59.035 39.410 1.00 0.00 WT1 O ATOM 23006 H1 TIP3 7892 28.092 59.326 38.512 1.00 0.00 WT1 H ATOM 23007 H2 TIP3 7892 27.134 59.492 39.673 1.00 0.00 WT1 H ATOM 23008 OH2 TIP3 7893 22.466 29.589 46.796 1.00 0.00 WT1 O ATOM 23009 H1 TIP3 7893 22.128 29.362 45.929 1.00 0.00 WT1 H ATOM 23010 H2 TIP3 7893 22.745 30.501 46.713 1.00 0.00 WT1 H ATOM 23011 OH2 TIP3 7895 73.605 18.371 54.512 1.00 0.00 WT1 O ATOM 23012 H1 TIP3 7895 73.539 19.190 55.003 1.00 0.00 WT1 H ATOM 23013 H2 TIP3 7895 74.032 18.617 53.691 1.00 0.00 WT1 H ATOM 23014 OH2 TIP3 7896 82.401 41.956 35.889 1.00 0.00 WT1 O ATOM 23015 H1 TIP3 7896 81.481 42.211 35.815 1.00 0.00 WT1 H ATOM 23016 H2 TIP3 7896 82.377 41.083 36.281 1.00 0.00 WT1 H ATOM 23017 OH2 TIP3 7897 39.031 2.456 54.605 1.00 0.00 WT1 O ATOM 23018 H1 TIP3 7897 39.909 2.249 54.926 1.00 0.00 WT1 H ATOM 23019 H2 TIP3 7897 38.559 2.764 55.379 1.00 0.00 WT1 H ATOM 23020 OH2 TIP3 7899 80.958 71.846 63.588 1.00 0.00 WT1 O ATOM 23021 H1 TIP3 7899 81.126 71.155 62.947 1.00 0.00 WT1 H ATOM 23022 H2 TIP3 7899 80.013 71.992 63.541 1.00 0.00 WT1 H ATOM 23023 OH2 TIP3 7900 34.454 96.256 18.558 1.00 0.00 WT1 O ATOM 23024 H1 TIP3 7900 33.713 95.676 18.734 1.00 0.00 WT1 H ATOM 23025 H2 TIP3 7900 34.285 96.604 17.683 1.00 0.00 WT1 H ATOM 23026 OH2 TIP3 7901 21.768 64.817 -8.268 1.00 0.00 WT1 O ATOM 23027 H1 TIP3 7901 22.236 64.587 -9.070 1.00 0.00 WT1 H ATOM 23028 H2 TIP3 7901 20.986 64.265 -8.279 1.00 0.00 WT1 H ATOM 23029 OH2 TIP3 7902 48.236 91.320 28.197 1.00 0.00 WT1 O ATOM 23030 H1 TIP3 7902 48.608 91.157 29.063 1.00 0.00 WT1 H ATOM 23031 H2 TIP3 7902 48.485 90.553 27.681 1.00 0.00 WT1 H ATOM 23032 OH2 TIP3 7904 29.346 96.158 1.500 1.00 0.00 WT1 O ATOM 23033 H1 TIP3 7904 28.609 95.711 1.084 1.00 0.00 WT1 H ATOM 23034 H2 TIP3 7904 30.120 95.808 1.058 1.00 0.00 WT1 H ATOM 23035 OH2 TIP3 7905 71.116 38.305 3.657 1.00 0.00 WT1 O ATOM 23036 H1 TIP3 7905 71.765 37.810 4.157 1.00 0.00 WT1 H ATOM 23037 H2 TIP3 7905 70.588 38.748 4.321 1.00 0.00 WT1 H ATOM 23038 OH2 TIP3 7906 74.975 26.309 18.449 1.00 0.00 WT1 O ATOM 23039 H1 TIP3 7906 74.869 25.580 17.837 1.00 0.00 WT1 H ATOM 23040 H2 TIP3 7906 74.240 26.892 18.258 1.00 0.00 WT1 H ATOM 23041 OH2 TIP3 7907 55.138 49.335 -12.886 1.00 0.00 WT1 O ATOM 23042 H1 TIP3 7907 55.531 48.462 -12.906 1.00 0.00 WT1 H ATOM 23043 H2 TIP3 7907 54.870 49.457 -11.976 1.00 0.00 WT1 H ATOM 23044 OH2 TIP3 7908 72.986 96.700 6.967 1.00 0.00 WT1 O ATOM 23045 H1 TIP3 7908 73.128 96.175 7.755 1.00 0.00 WT1 H ATOM 23046 H2 TIP3 7908 72.799 96.058 6.282 1.00 0.00 WT1 H ATOM 23047 OH2 TIP3 7909 58.985 58.434 -10.446 1.00 0.00 WT1 O ATOM 23048 H1 TIP3 7909 58.479 57.794 -9.945 1.00 0.00 WT1 H ATOM 23049 H2 TIP3 7909 59.881 58.099 -10.428 1.00 0.00 WT1 H ATOM 23050 OH2 TIP3 7910 51.456 73.854 47.886 1.00 0.00 WT1 O ATOM 23051 H1 TIP3 7910 51.150 73.995 48.782 1.00 0.00 WT1 H ATOM 23052 H2 TIP3 7910 51.456 72.903 47.779 1.00 0.00 WT1 H ATOM 23053 OH2 TIP3 7911 86.015 49.302 48.267 1.00 0.00 WT1 O ATOM 23054 H1 TIP3 7911 86.739 49.033 47.702 1.00 0.00 WT1 H ATOM 23055 H2 TIP3 7911 85.855 48.543 48.828 1.00 0.00 WT1 H ATOM 23056 OH2 TIP3 7912 39.600 65.308 -2.028 1.00 0.00 WT1 O ATOM 23057 H1 TIP3 7912 39.536 66.078 -1.461 1.00 0.00 WT1 H ATOM 23058 H2 TIP3 7912 38.793 64.821 -1.862 1.00 0.00 WT1 H ATOM 23059 OH2 TIP3 7913 81.989 79.560 -16.338 1.00 0.00 WT1 O ATOM 23060 H1 TIP3 7913 81.123 79.208 -16.130 1.00 0.00 WT1 H ATOM 23061 H2 TIP3 7913 82.387 79.736 -15.485 1.00 0.00 WT1 H ATOM 23062 OH2 TIP3 7914 60.238 38.459 44.889 1.00 0.00 WT1 O ATOM 23063 H1 TIP3 7914 59.294 38.610 44.834 1.00 0.00 WT1 H ATOM 23064 H2 TIP3 7914 60.628 39.226 44.468 1.00 0.00 WT1 H ATOM 23065 OH2 TIP3 7915 61.807 68.920 56.729 1.00 0.00 WT1 O ATOM 23066 H1 TIP3 7915 62.688 69.250 56.904 1.00 0.00 WT1 H ATOM 23067 H2 TIP3 7915 61.880 67.972 56.837 1.00 0.00 WT1 H ATOM 23068 OH2 TIP3 7916 32.784 39.446 33.998 1.00 0.00 WT1 O ATOM 23069 H1 TIP3 7916 33.297 40.069 33.483 1.00 0.00 WT1 H ATOM 23070 H2 TIP3 7916 32.176 39.058 33.369 1.00 0.00 WT1 H ATOM 23071 OH2 TIP3 7917 29.033 68.311 15.465 1.00 0.00 WT1 O ATOM 23072 H1 TIP3 7917 29.509 68.536 14.666 1.00 0.00 WT1 H ATOM 23073 H2 TIP3 7917 29.496 67.549 15.813 1.00 0.00 WT1 H ATOM 23074 OH2 TIP3 7918 32.829 38.372 39.277 1.00 0.00 WT1 O ATOM 23075 H1 TIP3 7918 32.298 39.016 38.808 1.00 0.00 WT1 H ATOM 23076 H2 TIP3 7918 32.617 37.537 38.862 1.00 0.00 WT1 H ATOM 23077 OH2 TIP3 7919 22.638 26.599 21.987 1.00 0.00 WT1 O ATOM 23078 H1 TIP3 7919 21.745 26.798 22.269 1.00 0.00 WT1 H ATOM 23079 H2 TIP3 7919 23.016 27.451 21.770 1.00 0.00 WT1 H ATOM 23080 OH2 TIP3 7920 46.030 89.595 65.274 1.00 0.00 WT1 O ATOM 23081 H1 TIP3 7920 46.936 89.569 64.966 1.00 0.00 WT1 H ATOM 23082 H2 TIP3 7920 45.874 88.723 65.635 1.00 0.00 WT1 H ATOM 23083 OH2 TIP3 7921 21.514 40.962 -0.711 1.00 0.00 WT1 O ATOM 23084 H1 TIP3 7921 21.727 40.667 0.174 1.00 0.00 WT1 H ATOM 23085 H2 TIP3 7921 20.729 41.500 -0.602 1.00 0.00 WT1 H ATOM 23086 OH2 TIP3 7922 67.619 85.562 -13.307 1.00 0.00 WT1 O ATOM 23087 H1 TIP3 7922 66.874 84.970 -13.407 1.00 0.00 WT1 H ATOM 23088 H2 TIP3 7922 68.327 85.142 -13.795 1.00 0.00 WT1 H ATOM 23089 OH2 TIP3 7923 83.804 88.927 -16.637 1.00 0.00 WT1 O ATOM 23090 H1 TIP3 7923 84.475 89.125 -15.984 1.00 0.00 WT1 H ATOM 23091 H2 TIP3 7923 84.162 88.192 -17.135 1.00 0.00 WT1 H ATOM 23092 OH2 TIP3 7924 88.626 44.421 4.645 1.00 0.00 WT1 O ATOM 23093 H1 TIP3 7924 88.434 44.065 3.777 1.00 0.00 WT1 H ATOM 23094 H2 TIP3 7924 89.344 45.037 4.497 1.00 0.00 WT1 H ATOM 23095 OH2 TIP3 7925 57.005 74.296 -14.109 1.00 0.00 WT1 O ATOM 23096 H1 TIP3 7925 57.910 74.018 -13.969 1.00 0.00 WT1 H ATOM 23097 H2 TIP3 7925 56.477 73.564 -13.788 1.00 0.00 WT1 H ATOM 23098 OH2 TIP3 7926 67.188 74.750 -17.610 1.00 0.00 WT1 O ATOM 23099 H1 TIP3 7926 67.022 75.055 -18.502 1.00 0.00 WT1 H ATOM 23100 H2 TIP3 7926 66.340 74.817 -17.172 1.00 0.00 WT1 H ATOM 23101 OH2 TIP3 7927 75.418 11.295 47.708 1.00 0.00 WT1 O ATOM 23102 H1 TIP3 7927 75.915 11.499 48.500 1.00 0.00 WT1 H ATOM 23103 H2 TIP3 7927 74.502 11.396 47.966 1.00 0.00 WT1 H ATOM 23104 OH2 TIP3 7928 76.241 86.848 42.061 1.00 0.00 WT1 O ATOM 23105 H1 TIP3 7928 75.748 86.125 41.672 1.00 0.00 WT1 H ATOM 23106 H2 TIP3 7928 76.156 87.563 41.430 1.00 0.00 WT1 H ATOM 23107 OH2 TIP3 7929 42.130 1.193 51.955 1.00 0.00 WT1 O ATOM 23108 H1 TIP3 7929 42.334 0.441 51.400 1.00 0.00 WT1 H ATOM 23109 H2 TIP3 7929 42.973 1.628 52.089 1.00 0.00 WT1 H ATOM 23110 OH2 TIP3 7930 84.176 96.434 44.417 1.00 0.00 WT1 O ATOM 23111 H1 TIP3 7930 83.368 96.006 44.135 1.00 0.00 WT1 H ATOM 23112 H2 TIP3 7930 84.872 95.945 43.978 1.00 0.00 WT1 H ATOM 23113 OH2 TIP3 7931 25.311 52.067 51.811 1.00 0.00 WT1 O ATOM 23114 H1 TIP3 7931 24.412 52.272 52.067 1.00 0.00 WT1 H ATOM 23115 H2 TIP3 7931 25.826 52.210 52.605 1.00 0.00 WT1 H ATOM 23116 OH2 TIP3 7932 26.980 54.038 -1.300 1.00 0.00 WT1 O ATOM 23117 H1 TIP3 7932 27.463 54.789 -0.955 1.00 0.00 WT1 H ATOM 23118 H2 TIP3 7932 26.218 54.421 -1.734 1.00 0.00 WT1 H ATOM 23119 OH2 TIP3 7933 37.280 28.444 35.937 1.00 0.00 WT1 O ATOM 23120 H1 TIP3 7933 38.197 28.719 35.917 1.00 0.00 WT1 H ATOM 23121 H2 TIP3 7933 36.784 29.257 35.842 1.00 0.00 WT1 H ATOM 23122 OH2 TIP3 7934 76.237 58.504 36.992 1.00 0.00 WT1 O ATOM 23123 H1 TIP3 7934 75.382 58.150 37.236 1.00 0.00 WT1 H ATOM 23124 H2 TIP3 7934 76.473 58.033 36.192 1.00 0.00 WT1 H ATOM 23125 OH2 TIP3 7935 82.610 49.622 53.294 1.00 0.00 WT1 O ATOM 23126 H1 TIP3 7935 82.291 48.828 53.724 1.00 0.00 WT1 H ATOM 23127 H2 TIP3 7935 81.820 50.136 53.124 1.00 0.00 WT1 H ATOM 23128 OH2 TIP3 7936 68.614 46.644 16.892 1.00 0.00 WT1 O ATOM 23129 H1 TIP3 7936 68.092 45.934 17.266 1.00 0.00 WT1 H ATOM 23130 H2 TIP3 7936 68.729 46.399 15.974 1.00 0.00 WT1 H ATOM 23131 OH2 TIP3 7937 42.485 78.979 33.186 1.00 0.00 WT1 O ATOM 23132 H1 TIP3 7937 43.188 78.531 32.716 1.00 0.00 WT1 H ATOM 23133 H2 TIP3 7937 41.941 78.272 33.534 1.00 0.00 WT1 H ATOM 23134 OH2 TIP3 7938 52.838 88.870 -3.502 1.00 0.00 WT1 O ATOM 23135 H1 TIP3 7938 52.000 88.629 -3.896 1.00 0.00 WT1 H ATOM 23136 H2 TIP3 7938 53.290 89.367 -4.183 1.00 0.00 WT1 H ATOM 23137 OH2 TIP3 7939 22.638 78.817 28.688 1.00 0.00 WT1 O ATOM 23138 H1 TIP3 7939 22.847 79.732 28.495 1.00 0.00 WT1 H ATOM 23139 H2 TIP3 7939 22.262 78.481 27.874 1.00 0.00 WT1 H ATOM 23140 OH2 TIP3 7940 83.043 39.182 2.068 1.00 0.00 WT1 O ATOM 23141 H1 TIP3 7940 82.734 38.709 1.296 1.00 0.00 WT1 H ATOM 23142 H2 TIP3 7940 83.937 38.867 2.201 1.00 0.00 WT1 H ATOM 23143 OH2 TIP3 7941 54.385 10.104 1.268 1.00 0.00 WT1 O ATOM 23144 H1 TIP3 7941 55.224 9.958 1.704 1.00 0.00 WT1 H ATOM 23145 H2 TIP3 7941 53.783 9.494 1.694 1.00 0.00 WT1 H ATOM 23146 OH2 TIP3 7942 41.473 15.299 -0.947 1.00 0.00 WT1 O ATOM 23147 H1 TIP3 7942 40.694 15.829 -0.777 1.00 0.00 WT1 H ATOM 23148 H2 TIP3 7942 41.501 14.675 -0.222 1.00 0.00 WT1 H ATOM 23149 OH2 TIP3 7943 90.291 22.303 2.184 1.00 0.00 WT1 O ATOM 23150 H1 TIP3 7943 90.886 21.946 2.843 1.00 0.00 WT1 H ATOM 23151 H2 TIP3 7943 89.467 22.437 2.651 1.00 0.00 WT1 H ATOM 23152 OH2 TIP3 7944 48.621 75.814 62.563 1.00 0.00 WT1 O ATOM 23153 H1 TIP3 7944 48.771 74.901 62.318 1.00 0.00 WT1 H ATOM 23154 H2 TIP3 7944 48.544 76.277 61.729 1.00 0.00 WT1 H ATOM 23155 OH2 TIP3 7945 44.286 89.726 -3.965 1.00 0.00 WT1 O ATOM 23156 H1 TIP3 7945 44.442 89.526 -3.042 1.00 0.00 WT1 H ATOM 23157 H2 TIP3 7945 45.112 90.099 -4.273 1.00 0.00 WT1 H ATOM 23158 OH2 TIP3 7946 35.103 66.709 -4.939 1.00 0.00 WT1 O ATOM 23159 H1 TIP3 7946 34.818 67.190 -5.715 1.00 0.00 WT1 H ATOM 23160 H2 TIP3 7946 35.274 65.822 -5.256 1.00 0.00 WT1 H ATOM 23161 OH2 TIP3 7947 26.824 4.575 -11.959 1.00 0.00 WT1 O ATOM 23162 H1 TIP3 7947 27.024 4.944 -11.099 1.00 0.00 WT1 H ATOM 23163 H2 TIP3 7947 26.525 3.685 -11.776 1.00 0.00 WT1 H ATOM 23164 OH2 TIP3 7948 35.135 23.083 16.619 1.00 0.00 WT1 O ATOM 23165 H1 TIP3 7948 34.675 22.260 16.451 1.00 0.00 WT1 H ATOM 23166 H2 TIP3 7948 36.062 22.847 16.605 1.00 0.00 WT1 H ATOM 23167 OH2 TIP3 7949 43.684 64.156 57.248 1.00 0.00 WT1 O ATOM 23168 H1 TIP3 7949 44.616 64.368 57.193 1.00 0.00 WT1 H ATOM 23169 H2 TIP3 7949 43.241 65.002 57.180 1.00 0.00 WT1 H ATOM 23170 OH2 TIP3 7950 83.551 82.591 21.565 1.00 0.00 WT1 O ATOM 23171 H1 TIP3 7950 83.903 82.345 20.709 1.00 0.00 WT1 H ATOM 23172 H2 TIP3 7950 83.749 81.844 22.130 1.00 0.00 WT1 H ATOM 23173 OH2 TIP3 7951 47.483 49.049 -9.226 1.00 0.00 WT1 O ATOM 23174 H1 TIP3 7951 48.147 48.390 -9.024 1.00 0.00 WT1 H ATOM 23175 H2 TIP3 7951 47.692 49.335 -10.115 1.00 0.00 WT1 H ATOM 23176 OH2 TIP3 7952 30.755 34.113 -3.266 1.00 0.00 WT1 O ATOM 23177 H1 TIP3 7952 31.626 33.906 -2.926 1.00 0.00 WT1 H ATOM 23178 H2 TIP3 7952 30.536 34.955 -2.868 1.00 0.00 WT1 H ATOM 23179 OH2 TIP3 7953 82.996 6.739 66.424 1.00 0.00 WT1 O ATOM 23180 H1 TIP3 7953 83.418 5.881 66.370 1.00 0.00 WT1 H ATOM 23181 H2 TIP3 7953 83.675 7.358 66.157 1.00 0.00 WT1 H ATOM 23182 OH2 TIP3 7954 70.704 44.452 60.970 1.00 0.00 WT1 O ATOM 23183 H1 TIP3 7954 71.405 43.949 60.556 1.00 0.00 WT1 H ATOM 23184 H2 TIP3 7954 70.973 45.366 60.870 1.00 0.00 WT1 H ATOM 23185 OH2 TIP3 7955 72.288 1.869 2.636 1.00 0.00 WT1 O ATOM 23186 H1 TIP3 7955 71.348 1.773 2.484 1.00 0.00 WT1 H ATOM 23187 H2 TIP3 7955 72.398 2.784 2.893 1.00 0.00 WT1 H ATOM 23188 OH2 TIP3 7956 79.376 50.131 20.349 1.00 0.00 WT1 O ATOM 23189 H1 TIP3 7956 78.627 50.537 19.914 1.00 0.00 WT1 H ATOM 23190 H2 TIP3 7956 79.938 50.865 20.596 1.00 0.00 WT1 H ATOM 23191 OH2 TIP3 7957 69.426 88.163 62.970 1.00 0.00 WT1 O ATOM 23192 H1 TIP3 7957 69.469 88.890 63.592 1.00 0.00 WT1 H ATOM 23193 H2 TIP3 7957 70.301 87.776 62.994 1.00 0.00 WT1 H ATOM 23194 OH2 TIP3 7958 62.396 87.932 27.962 1.00 0.00 WT1 O ATOM 23195 H1 TIP3 7958 62.527 87.167 28.522 1.00 0.00 WT1 H ATOM 23196 H2 TIP3 7958 62.060 88.607 28.551 1.00 0.00 WT1 H ATOM 23197 OH2 TIP3 7959 74.720 18.736 6.449 1.00 0.00 WT1 O ATOM 23198 H1 TIP3 7959 75.064 19.398 7.049 1.00 0.00 WT1 H ATOM 23199 H2 TIP3 7959 73.828 18.575 6.756 1.00 0.00 WT1 H ATOM 23200 OH2 TIP3 7960 69.761 20.034 32.647 1.00 0.00 WT1 O ATOM 23201 H1 TIP3 7960 69.784 20.921 32.288 1.00 0.00 WT1 H ATOM 23202 H2 TIP3 7960 69.590 19.473 31.891 1.00 0.00 WT1 H ATOM 23203 OH2 TIP3 7962 47.841 81.479 38.845 1.00 0.00 WT1 O ATOM 23204 H1 TIP3 7962 47.716 80.544 38.685 1.00 0.00 WT1 H ATOM 23205 H2 TIP3 7962 48.451 81.760 38.163 1.00 0.00 WT1 H ATOM 23206 OH2 TIP3 7963 28.687 21.727 56.795 1.00 0.00 WT1 O ATOM 23207 H1 TIP3 7963 29.543 21.494 56.436 1.00 0.00 WT1 H ATOM 23208 H2 TIP3 7963 28.841 21.834 57.733 1.00 0.00 WT1 H ATOM 23209 OH2 TIP3 7964 73.720 -0.166 3.223 1.00 0.00 WT1 O ATOM 23210 H1 TIP3 7964 73.288 0.629 2.910 1.00 0.00 WT1 H ATOM 23211 H2 TIP3 7964 73.074 -0.581 3.795 1.00 0.00 WT1 H ATOM 23212 OH2 TIP3 7965 67.807 33.166 14.129 1.00 0.00 WT1 O ATOM 23213 H1 TIP3 7965 67.116 33.103 13.470 1.00 0.00 WT1 H ATOM 23214 H2 TIP3 7965 67.385 33.581 14.881 1.00 0.00 WT1 H ATOM 23215 OH2 TIP3 7966 81.037 31.964 36.462 1.00 0.00 WT1 O ATOM 23216 H1 TIP3 7966 81.314 31.213 36.987 1.00 0.00 WT1 H ATOM 23217 H2 TIP3 7966 81.851 32.422 36.251 1.00 0.00 WT1 H ATOM 23218 OH2 TIP3 7967 82.178 30.737 -5.593 1.00 0.00 WT1 O ATOM 23219 H1 TIP3 7967 81.886 31.206 -4.811 1.00 0.00 WT1 H ATOM 23220 H2 TIP3 7967 82.755 31.354 -6.042 1.00 0.00 WT1 H ATOM 23221 OH2 TIP3 7968 29.184 21.314 9.581 1.00 0.00 WT1 O ATOM 23222 H1 TIP3 7968 28.663 21.667 8.859 1.00 0.00 WT1 H ATOM 23223 H2 TIP3 7968 29.926 20.886 9.155 1.00 0.00 WT1 H ATOM 23224 OH2 TIP3 7969 40.774 26.686 -13.258 1.00 0.00 WT1 O ATOM 23225 H1 TIP3 7969 39.877 27.019 -13.255 1.00 0.00 WT1 H ATOM 23226 H2 TIP3 7969 41.189 27.121 -14.002 1.00 0.00 WT1 H ATOM 23227 OH2 TIP3 7970 43.037 11.772 65.129 1.00 0.00 WT1 O ATOM 23228 H1 TIP3 7970 43.227 12.339 64.382 1.00 0.00 WT1 H ATOM 23229 H2 TIP3 7970 43.743 11.950 65.751 1.00 0.00 WT1 H ATOM 23230 OH2 TIP3 7971 88.574 95.353 -17.238 1.00 0.00 WT1 O ATOM 23231 H1 TIP3 7971 89.323 95.230 -17.821 1.00 0.00 WT1 H ATOM 23232 H2 TIP3 7971 88.928 95.213 -16.360 1.00 0.00 WT1 H ATOM 23233 OH2 TIP3 7972 29.402 32.866 4.198 1.00 0.00 WT1 O ATOM 23234 H1 TIP3 7972 29.858 33.548 3.705 1.00 0.00 WT1 H ATOM 23235 H2 TIP3 7972 29.185 33.278 5.034 1.00 0.00 WT1 H ATOM 23236 OH2 TIP3 7973 53.579 88.042 36.601 1.00 0.00 WT1 O ATOM 23237 H1 TIP3 7973 54.320 87.601 36.184 1.00 0.00 WT1 H ATOM 23238 H2 TIP3 7973 52.808 87.680 36.164 1.00 0.00 WT1 H ATOM 23239 OH2 TIP3 7974 86.654 41.976 40.789 1.00 0.00 WT1 O ATOM 23240 H1 TIP3 7974 87.246 42.727 40.756 1.00 0.00 WT1 H ATOM 23241 H2 TIP3 7974 85.779 42.362 40.835 1.00 0.00 WT1 H ATOM 23242 OH2 TIP3 7975 45.099 2.025 38.707 1.00 0.00 WT1 O ATOM 23243 H1 TIP3 7975 44.318 2.241 39.216 1.00 0.00 WT1 H ATOM 23244 H2 TIP3 7975 45.748 1.765 39.361 1.00 0.00 WT1 H ATOM 23245 OH2 TIP3 7976 40.457 23.284 65.615 1.00 0.00 WT1 O ATOM 23246 H1 TIP3 7976 40.269 23.471 64.696 1.00 0.00 WT1 H ATOM 23247 H2 TIP3 7976 39.704 23.636 66.090 1.00 0.00 WT1 H ATOM 23248 OH2 TIP3 7977 75.411 78.283 -1.570 1.00 0.00 WT1 O ATOM 23249 H1 TIP3 7977 76.156 78.684 -2.018 1.00 0.00 WT1 H ATOM 23250 H2 TIP3 7977 75.789 77.547 -1.088 1.00 0.00 WT1 H ATOM 23251 OH2 TIP3 7978 67.143 81.824 48.143 1.00 0.00 WT1 O ATOM 23252 H1 TIP3 7978 66.435 82.221 48.650 1.00 0.00 WT1 H ATOM 23253 H2 TIP3 7978 67.498 81.145 48.717 1.00 0.00 WT1 H ATOM 23254 OH2 TIP3 7979 33.420 53.616 35.520 1.00 0.00 WT1 O ATOM 23255 H1 TIP3 7979 33.200 54.502 35.809 1.00 0.00 WT1 H ATOM 23256 H2 TIP3 7979 34.099 53.741 34.857 1.00 0.00 WT1 H ATOM 23257 OH2 TIP3 7980 74.389 72.948 21.842 1.00 0.00 WT1 O ATOM 23258 H1 TIP3 7980 74.973 72.378 22.342 1.00 0.00 WT1 H ATOM 23259 H2 TIP3 7980 73.640 72.393 21.624 1.00 0.00 WT1 H ATOM 23260 OH2 TIP3 7981 43.333 6.386 27.241 1.00 0.00 WT1 O ATOM 23261 H1 TIP3 7981 44.141 6.078 26.830 1.00 0.00 WT1 H ATOM 23262 H2 TIP3 7981 43.582 6.572 28.147 1.00 0.00 WT1 H ATOM 23263 OH2 TIP3 7982 26.964 1.912 -11.916 1.00 0.00 WT1 O ATOM 23264 H1 TIP3 7982 27.308 1.131 -11.484 1.00 0.00 WT1 H ATOM 23265 H2 TIP3 7982 27.735 2.338 -12.291 1.00 0.00 WT1 H ATOM 23266 OH2 TIP3 7983 64.239 0.559 -17.045 1.00 0.00 WT1 O ATOM 23267 H1 TIP3 7983 64.478 0.004 -16.303 1.00 0.00 WT1 H ATOM 23268 H2 TIP3 7983 64.855 1.291 -17.005 1.00 0.00 WT1 H ATOM 23269 OH2 TIP3 7984 22.761 90.368 6.689 1.00 0.00 WT1 O ATOM 23270 H1 TIP3 7984 22.591 91.295 6.853 1.00 0.00 WT1 H ATOM 23271 H2 TIP3 7984 22.341 89.913 7.419 1.00 0.00 WT1 H ATOM 23272 OH2 TIP3 7985 34.378 79.792 -4.572 1.00 0.00 WT1 O ATOM 23273 H1 TIP3 7985 33.810 79.200 -4.079 1.00 0.00 WT1 H ATOM 23274 H2 TIP3 7985 35.251 79.644 -4.209 1.00 0.00 WT1 H ATOM 23275 OH2 TIP3 7986 75.650 10.331 -7.299 1.00 0.00 WT1 O ATOM 23276 H1 TIP3 7986 75.532 10.807 -8.122 1.00 0.00 WT1 H ATOM 23277 H2 TIP3 7986 75.207 10.870 -6.645 1.00 0.00 WT1 H ATOM 23278 OH2 TIP3 7987 69.910 90.221 64.750 1.00 0.00 WT1 O ATOM 23279 H1 TIP3 7987 69.709 91.154 64.824 1.00 0.00 WT1 H ATOM 23280 H2 TIP3 7987 70.271 89.986 65.605 1.00 0.00 WT1 H ATOM 23281 OH2 TIP3 7988 39.715 33.731 6.443 1.00 0.00 WT1 O ATOM 23282 H1 TIP3 7988 39.707 33.505 7.373 1.00 0.00 WT1 H ATOM 23283 H2 TIP3 7988 39.468 34.655 6.418 1.00 0.00 WT1 H ATOM 23284 OH2 TIP3 7989 39.604 18.928 -16.534 1.00 0.00 WT1 O ATOM 23285 H1 TIP3 7989 39.642 18.224 -15.887 1.00 0.00 WT1 H ATOM 23286 H2 TIP3 7989 39.351 19.703 -16.032 1.00 0.00 WT1 H ATOM 23287 OH2 TIP3 7990 90.407 65.308 25.350 1.00 0.00 WT1 O ATOM 23288 H1 TIP3 7990 89.984 64.449 25.376 1.00 0.00 WT1 H ATOM 23289 H2 TIP3 7990 90.385 65.559 24.426 1.00 0.00 WT1 H ATOM 23290 OH2 TIP3 7991 36.477 84.658 8.034 1.00 0.00 WT1 O ATOM 23291 H1 TIP3 7991 35.967 84.221 7.352 1.00 0.00 WT1 H ATOM 23292 H2 TIP3 7991 36.331 85.592 7.882 1.00 0.00 WT1 H ATOM 23293 OH2 TIP3 7992 39.216 76.091 61.859 1.00 0.00 WT1 O ATOM 23294 H1 TIP3 7992 39.580 76.946 61.626 1.00 0.00 WT1 H ATOM 23295 H2 TIP3 7992 38.435 76.007 61.313 1.00 0.00 WT1 H ATOM 23296 OH2 TIP3 7993 66.930 52.841 2.919 1.00 0.00 WT1 O ATOM 23297 H1 TIP3 7993 67.594 52.824 2.230 1.00 0.00 WT1 H ATOM 23298 H2 TIP3 7993 67.243 53.501 3.538 1.00 0.00 WT1 H ATOM 23299 OH2 TIP3 7994 28.792 63.827 23.213 1.00 0.00 WT1 O ATOM 23300 H1 TIP3 7994 29.182 64.352 23.912 1.00 0.00 WT1 H ATOM 23301 H2 TIP3 7994 29.122 64.222 22.405 1.00 0.00 WT1 H ATOM 23302 OH2 TIP3 7995 64.970 38.823 63.302 1.00 0.00 WT1 O ATOM 23303 H1 TIP3 7995 65.862 39.113 63.109 1.00 0.00 WT1 H ATOM 23304 H2 TIP3 7995 64.982 38.615 64.236 1.00 0.00 WT1 H ATOM 23305 OH2 TIP3 7996 35.055 92.523 24.746 1.00 0.00 WT1 O ATOM 23306 H1 TIP3 7996 35.295 93.436 24.588 1.00 0.00 WT1 H ATOM 23307 H2 TIP3 7996 34.149 92.563 25.052 1.00 0.00 WT1 H ATOM 23308 OH2 TIP3 7997 47.106 38.238 39.627 1.00 0.00 WT1 O ATOM 23309 H1 TIP3 7997 47.020 37.834 38.763 1.00 0.00 WT1 H ATOM 23310 H2 TIP3 7997 48.050 38.313 39.764 1.00 0.00 WT1 H ATOM 23311 OH2 TIP3 7999 60.028 96.028 15.371 1.00 0.00 WT1 O ATOM 23312 H1 TIP3 7999 60.236 96.539 16.154 1.00 0.00 WT1 H ATOM 23313 H2 TIP3 7999 60.665 95.314 15.375 1.00 0.00 WT1 H ATOM 23314 OH2 TIP3 8000 25.742 74.535 59.804 1.00 0.00 WT1 O ATOM 23315 H1 TIP3 8000 26.174 75.386 59.884 1.00 0.00 WT1 H ATOM 23316 H2 TIP3 8000 25.476 74.317 60.698 1.00 0.00 WT1 H ATOM 23317 OH2 TIP3 8001 31.106 71.116 32.287 1.00 0.00 WT1 O ATOM 23318 H1 TIP3 8001 32.010 71.174 32.595 1.00 0.00 WT1 H ATOM 23319 H2 TIP3 8001 31.170 70.676 31.438 1.00 0.00 WT1 H ATOM 23320 OH2 TIP3 8002 25.240 16.908 -16.971 1.00 0.00 WT1 O ATOM 23321 H1 TIP3 8002 24.806 16.718 -17.803 1.00 0.00 WT1 H ATOM 23322 H2 TIP3 8002 25.162 17.857 -16.871 1.00 0.00 WT1 H ATOM 23323 OH2 TIP3 8003 21.284 36.058 2.610 1.00 0.00 WT1 O ATOM 23324 H1 TIP3 8003 20.587 35.410 2.713 1.00 0.00 WT1 H ATOM 23325 H2 TIP3 8003 21.914 35.641 2.022 1.00 0.00 WT1 H ATOM 23326 OH2 TIP3 8004 57.791 13.846 0.821 1.00 0.00 WT1 O ATOM 23327 H1 TIP3 8004 57.110 13.361 1.288 1.00 0.00 WT1 H ATOM 23328 H2 TIP3 8004 57.348 14.631 0.498 1.00 0.00 WT1 H ATOM 23329 OH2 TIP3 8005 52.871 11.948 61.074 1.00 0.00 WT1 O ATOM 23330 H1 TIP3 8005 53.050 11.985 62.013 1.00 0.00 WT1 H ATOM 23331 H2 TIP3 8005 53.091 11.051 60.823 1.00 0.00 WT1 H ATOM 23332 OH2 TIP3 8006 47.365 16.746 16.651 1.00 0.00 WT1 O ATOM 23333 H1 TIP3 8006 46.481 16.716 16.287 1.00 0.00 WT1 H ATOM 23334 H2 TIP3 8006 47.668 17.636 16.470 1.00 0.00 WT1 H ATOM 23335 OH2 TIP3 8007 22.307 74.575 16.225 1.00 0.00 WT1 O ATOM 23336 H1 TIP3 8007 22.259 73.865 16.866 1.00 0.00 WT1 H ATOM 23337 H2 TIP3 8007 23.216 74.874 16.266 1.00 0.00 WT1 H ATOM 23338 OH2 TIP3 8008 29.790 55.974 44.409 1.00 0.00 WT1 O ATOM 23339 H1 TIP3 8008 30.077 55.097 44.664 1.00 0.00 WT1 H ATOM 23340 H2 TIP3 8008 28.851 55.881 44.248 1.00 0.00 WT1 H ATOM 23341 OH2 TIP3 8010 46.001 72.600 30.573 1.00 0.00 WT1 O ATOM 23342 H1 TIP3 8010 46.167 72.032 29.820 1.00 0.00 WT1 H ATOM 23343 H2 TIP3 8010 46.782 72.510 31.118 1.00 0.00 WT1 H ATOM 23344 OH2 TIP3 8011 84.746 46.153 15.424 1.00 0.00 WT1 O ATOM 23345 H1 TIP3 8011 84.680 45.921 14.498 1.00 0.00 WT1 H ATOM 23346 H2 TIP3 8011 84.746 45.312 15.882 1.00 0.00 WT1 H ATOM 23347 OH2 TIP3 8012 26.832 5.220 -2.100 1.00 0.00 WT1 O ATOM 23348 H1 TIP3 8012 26.638 4.345 -1.763 1.00 0.00 WT1 H ATOM 23349 H2 TIP3 8012 27.222 5.066 -2.960 1.00 0.00 WT1 H ATOM 23350 OH2 TIP3 8013 32.321 91.043 27.880 1.00 0.00 WT1 O ATOM 23351 H1 TIP3 8013 32.895 91.160 28.637 1.00 0.00 WT1 H ATOM 23352 H2 TIP3 8013 32.830 90.505 27.274 1.00 0.00 WT1 H ATOM 23353 OH2 TIP3 8014 63.222 40.950 6.084 1.00 0.00 WT1 O ATOM 23354 H1 TIP3 8014 63.455 41.832 6.374 1.00 0.00 WT1 H ATOM 23355 H2 TIP3 8014 63.425 40.390 6.833 1.00 0.00 WT1 H ATOM 23356 OH2 TIP3 8015 43.430 21.785 -1.684 1.00 0.00 WT1 O ATOM 23357 H1 TIP3 8015 43.558 20.968 -2.165 1.00 0.00 WT1 H ATOM 23358 H2 TIP3 8015 43.892 21.652 -0.857 1.00 0.00 WT1 H ATOM 23359 OH2 TIP3 8016 89.072 33.449 36.809 1.00 0.00 WT1 O ATOM 23360 H1 TIP3 8016 89.116 32.632 37.305 1.00 0.00 WT1 H ATOM 23361 H2 TIP3 8016 88.838 34.112 37.459 1.00 0.00 WT1 H ATOM 23362 OH2 TIP3 8017 37.704 59.603 -5.329 1.00 0.00 WT1 O ATOM 23363 H1 TIP3 8017 37.284 60.144 -4.660 1.00 0.00 WT1 H ATOM 23364 H2 TIP3 8017 36.995 59.065 -5.682 1.00 0.00 WT1 H ATOM 23365 OH2 TIP3 8018 61.386 30.119 -1.816 1.00 0.00 WT1 O ATOM 23366 H1 TIP3 8018 61.860 29.952 -2.630 1.00 0.00 WT1 H ATOM 23367 H2 TIP3 8018 61.137 29.250 -1.500 1.00 0.00 WT1 H ATOM 23368 OH2 TIP3 8019 45.385 72.025 -3.691 1.00 0.00 WT1 O ATOM 23369 H1 TIP3 8019 44.947 71.264 -3.309 1.00 0.00 WT1 H ATOM 23370 H2 TIP3 8019 46.317 71.809 -3.652 1.00 0.00 WT1 H ATOM 23371 OH2 TIP3 8020 59.706 69.937 62.337 1.00 0.00 WT1 O ATOM 23372 H1 TIP3 8020 59.979 69.626 63.200 1.00 0.00 WT1 H ATOM 23373 H2 TIP3 8020 59.258 70.765 62.510 1.00 0.00 WT1 H ATOM 23374 OH2 TIP3 8021 60.746 62.105 63.806 1.00 0.00 WT1 O ATOM 23375 H1 TIP3 8021 61.073 62.952 63.503 1.00 0.00 WT1 H ATOM 23376 H2 TIP3 8021 59.801 62.147 63.661 1.00 0.00 WT1 H ATOM 23377 OH2 TIP3 8022 79.803 31.936 -13.467 1.00 0.00 WT1 O ATOM 23378 H1 TIP3 8022 79.198 31.194 -13.486 1.00 0.00 WT1 H ATOM 23379 H2 TIP3 8022 79.262 32.680 -13.204 1.00 0.00 WT1 H ATOM 23380 OH2 TIP3 8023 74.280 40.834 -5.171 1.00 0.00 WT1 O ATOM 23381 H1 TIP3 8023 74.890 41.570 -5.213 1.00 0.00 WT1 H ATOM 23382 H2 TIP3 8023 73.951 40.744 -6.065 1.00 0.00 WT1 H ATOM 23383 OH2 TIP3 8024 78.893 49.148 50.422 1.00 0.00 WT1 O ATOM 23384 H1 TIP3 8024 78.520 49.846 49.883 1.00 0.00 WT1 H ATOM 23385 H2 TIP3 8024 79.839 49.276 50.361 1.00 0.00 WT1 H ATOM 23386 OH2 TIP3 8025 54.549 18.183 23.621 1.00 0.00 WT1 O ATOM 23387 H1 TIP3 8025 54.771 18.827 22.948 1.00 0.00 WT1 H ATOM 23388 H2 TIP3 8025 53.594 18.126 23.592 1.00 0.00 WT1 H ATOM 23389 OH2 TIP3 8026 31.993 20.360 28.296 1.00 0.00 WT1 O ATOM 23390 H1 TIP3 8026 32.146 20.103 27.386 1.00 0.00 WT1 H ATOM 23391 H2 TIP3 8026 32.520 21.151 28.413 1.00 0.00 WT1 H ATOM 23392 OH2 TIP3 8027 87.277 6.345 0.159 1.00 0.00 WT1 O ATOM 23393 H1 TIP3 8027 87.066 5.991 -0.705 1.00 0.00 WT1 H ATOM 23394 H2 TIP3 8027 87.423 5.573 0.706 1.00 0.00 WT1 H ATOM 23395 OH2 TIP3 8028 73.155 87.077 61.155 1.00 0.00 WT1 O ATOM 23396 H1 TIP3 8028 74.025 86.686 61.080 1.00 0.00 WT1 H ATOM 23397 H2 TIP3 8028 72.708 86.827 60.346 1.00 0.00 WT1 H ATOM 23398 OH2 TIP3 8029 50.450 71.705 -5.813 1.00 0.00 WT1 O ATOM 23399 H1 TIP3 8029 51.271 72.196 -5.827 1.00 0.00 WT1 H ATOM 23400 H2 TIP3 8029 50.719 70.788 -5.762 1.00 0.00 WT1 H ATOM 23401 OH2 TIP3 8030 60.123 70.383 58.739 1.00 0.00 WT1 O ATOM 23402 H1 TIP3 8030 60.647 70.225 57.954 1.00 0.00 WT1 H ATOM 23403 H2 TIP3 8030 60.767 70.491 59.439 1.00 0.00 WT1 H ATOM 23404 OH2 TIP3 8032 49.272 18.196 21.289 1.00 0.00 WT1 O ATOM 23405 H1 TIP3 8032 48.552 18.399 20.692 1.00 0.00 WT1 H ATOM 23406 H2 TIP3 8032 49.425 19.011 21.766 1.00 0.00 WT1 H ATOM 23407 OH2 TIP3 8033 67.329 50.602 37.683 1.00 0.00 WT1 O ATOM 23408 H1 TIP3 8033 66.543 50.216 38.070 1.00 0.00 WT1 H ATOM 23409 H2 TIP3 8033 67.054 51.475 37.403 1.00 0.00 WT1 H ATOM 23410 OH2 TIP3 8034 38.845 43.537 29.466 1.00 0.00 WT1 O ATOM 23411 H1 TIP3 8034 39.224 43.763 28.617 1.00 0.00 WT1 H ATOM 23412 H2 TIP3 8034 39.581 43.201 29.976 1.00 0.00 WT1 H ATOM 23413 OH2 TIP3 8035 33.005 1.510 47.979 1.00 0.00 WT1 O ATOM 23414 H1 TIP3 8035 32.257 1.164 47.493 1.00 0.00 WT1 H ATOM 23415 H2 TIP3 8035 33.701 1.589 47.326 1.00 0.00 WT1 H ATOM 23416 OH2 TIP3 8036 81.217 22.005 64.693 1.00 0.00 WT1 O ATOM 23417 H1 TIP3 8036 80.745 22.380 63.950 1.00 0.00 WT1 H ATOM 23418 H2 TIP3 8036 81.590 22.761 65.147 1.00 0.00 WT1 H ATOM 23419 OH2 TIP3 8037 61.118 29.134 13.691 1.00 0.00 WT1 O ATOM 23420 H1 TIP3 8037 60.329 29.656 13.836 1.00 0.00 WT1 H ATOM 23421 H2 TIP3 8037 61.235 28.645 14.505 1.00 0.00 WT1 H ATOM 23422 OH2 TIP3 8038 52.478 76.980 38.054 1.00 0.00 WT1 O ATOM 23423 H1 TIP3 8038 52.372 77.469 37.238 1.00 0.00 WT1 H ATOM 23424 H2 TIP3 8038 52.152 77.571 38.733 1.00 0.00 WT1 H ATOM 23425 OH2 TIP3 8039 34.735 88.952 12.925 1.00 0.00 WT1 O ATOM 23426 H1 TIP3 8039 35.163 88.845 13.775 1.00 0.00 WT1 H ATOM 23427 H2 TIP3 8039 35.172 88.320 12.355 1.00 0.00 WT1 H ATOM 23428 OH2 TIP3 8040 36.483 69.735 17.369 1.00 0.00 WT1 O ATOM 23429 H1 TIP3 8040 36.748 69.098 16.706 1.00 0.00 WT1 H ATOM 23430 H2 TIP3 8040 36.394 70.559 16.889 1.00 0.00 WT1 H ATOM 23431 OH2 TIP3 8041 47.650 44.045 33.474 1.00 0.00 WT1 O ATOM 23432 H1 TIP3 8041 47.214 43.942 32.628 1.00 0.00 WT1 H ATOM 23433 H2 TIP3 8041 48.297 43.340 33.498 1.00 0.00 WT1 H ATOM 23434 OH2 TIP3 8042 31.293 39.957 -3.533 1.00 0.00 WT1 O ATOM 23435 H1 TIP3 8042 30.411 40.328 -3.556 1.00 0.00 WT1 H ATOM 23436 H2 TIP3 8042 31.706 40.366 -2.773 1.00 0.00 WT1 H ATOM 23437 OH2 TIP3 8043 59.595 24.309 29.392 1.00 0.00 WT1 O ATOM 23438 H1 TIP3 8043 58.863 23.907 28.925 1.00 0.00 WT1 H ATOM 23439 H2 TIP3 8043 60.311 24.315 28.757 1.00 0.00 WT1 H ATOM 23440 OH2 TIP3 8044 21.696 36.874 66.559 1.00 0.00 WT1 O ATOM 23441 H1 TIP3 8044 21.632 36.934 67.512 1.00 0.00 WT1 H ATOM 23442 H2 TIP3 8044 21.540 37.766 66.251 1.00 0.00 WT1 H ATOM 23443 OH2 TIP3 8045 89.366 27.962 -15.464 1.00 0.00 WT1 O ATOM 23444 H1 TIP3 8045 88.528 28.338 -15.735 1.00 0.00 WT1 H ATOM 23445 H2 TIP3 8045 89.183 27.030 -15.347 1.00 0.00 WT1 H ATOM 23446 OH2 TIP3 8046 64.713 6.714 29.498 1.00 0.00 WT1 O ATOM 23447 H1 TIP3 8046 64.389 6.819 28.604 1.00 0.00 WT1 H ATOM 23448 H2 TIP3 8046 63.924 6.696 30.040 1.00 0.00 WT1 H ATOM 23449 OH2 TIP3 8047 57.452 87.758 -19.080 1.00 0.00 WT1 O ATOM 23450 H1 TIP3 8047 58.334 87.445 -18.882 1.00 0.00 WT1 H ATOM 23451 H2 TIP3 8047 57.582 88.445 -19.734 1.00 0.00 WT1 H ATOM 23452 OH2 TIP3 8049 66.055 80.771 43.186 1.00 0.00 WT1 O ATOM 23453 H1 TIP3 8049 66.437 81.636 43.041 1.00 0.00 WT1 H ATOM 23454 H2 TIP3 8049 66.226 80.583 44.109 1.00 0.00 WT1 H ATOM 23455 OH2 TIP3 8050 66.093 25.396 -9.349 1.00 0.00 WT1 O ATOM 23456 H1 TIP3 8050 66.263 25.577 -10.274 1.00 0.00 WT1 H ATOM 23457 H2 TIP3 8050 65.220 25.004 -9.338 1.00 0.00 WT1 H ATOM 23458 OH2 TIP3 8051 80.799 68.714 27.345 1.00 0.00 WT1 O ATOM 23459 H1 TIP3 8051 80.198 69.062 28.003 1.00 0.00 WT1 H ATOM 23460 H2 TIP3 8051 80.743 67.764 27.446 1.00 0.00 WT1 H ATOM 23461 OH2 TIP3 8052 32.782 70.852 -14.058 1.00 0.00 WT1 O ATOM 23462 H1 TIP3 8052 33.554 70.586 -14.558 1.00 0.00 WT1 H ATOM 23463 H2 TIP3 8052 32.867 70.391 -13.223 1.00 0.00 WT1 H ATOM 23464 OH2 TIP3 8053 80.203 45.512 24.512 1.00 0.00 WT1 O ATOM 23465 H1 TIP3 8053 80.313 46.069 23.741 1.00 0.00 WT1 H ATOM 23466 H2 TIP3 8053 79.390 45.033 24.348 1.00 0.00 WT1 H ATOM 23467 OH2 TIP3 8054 78.968 83.298 34.458 1.00 0.00 WT1 O ATOM 23468 H1 TIP3 8054 78.318 83.951 34.200 1.00 0.00 WT1 H ATOM 23469 H2 TIP3 8054 79.077 83.428 35.401 1.00 0.00 WT1 H ATOM 23470 OH2 TIP3 8055 43.526 83.975 28.294 1.00 0.00 WT1 O ATOM 23471 H1 TIP3 8055 42.611 83.699 28.345 1.00 0.00 WT1 H ATOM 23472 H2 TIP3 8055 43.495 84.927 28.397 1.00 0.00 WT1 H ATOM 23473 OH2 TIP3 8056 36.064 43.592 29.207 1.00 0.00 WT1 O ATOM 23474 H1 TIP3 8056 35.908 43.111 28.394 1.00 0.00 WT1 H ATOM 23475 H2 TIP3 8056 37.018 43.623 29.287 1.00 0.00 WT1 H ATOM 23476 OH2 TIP3 8057 76.321 47.638 67.099 1.00 0.00 WT1 O ATOM 23477 H1 TIP3 8057 76.347 47.679 66.143 1.00 0.00 WT1 H ATOM 23478 H2 TIP3 8057 76.075 48.522 67.371 1.00 0.00 WT1 H ATOM 23479 OH2 TIP3 8058 27.236 63.913 15.657 1.00 0.00 WT1 O ATOM 23480 H1 TIP3 8058 26.365 63.520 15.613 1.00 0.00 WT1 H ATOM 23481 H2 TIP3 8058 27.096 64.832 15.429 1.00 0.00 WT1 H ATOM 23482 OH2 TIP3 8059 55.219 5.876 64.180 1.00 0.00 WT1 O ATOM 23483 H1 TIP3 8059 55.647 5.028 64.064 1.00 0.00 WT1 H ATOM 23484 H2 TIP3 8059 55.025 5.922 65.116 1.00 0.00 WT1 H ATOM 23485 OH2 TIP3 8060 64.153 35.883 51.700 1.00 0.00 WT1 O ATOM 23486 H1 TIP3 8060 63.472 35.770 52.363 1.00 0.00 WT1 H ATOM 23487 H2 TIP3 8060 63.734 36.397 51.011 1.00 0.00 WT1 H ATOM 23488 OH2 TIP3 8061 30.185 49.553 -15.020 1.00 0.00 WT1 O ATOM 23489 H1 TIP3 8061 29.446 50.007 -15.423 1.00 0.00 WT1 H ATOM 23490 H2 TIP3 8061 30.231 49.908 -14.132 1.00 0.00 WT1 H ATOM 23491 OH2 TIP3 8062 51.174 90.074 22.242 1.00 0.00 WT1 O ATOM 23492 H1 TIP3 8062 50.412 89.574 21.949 1.00 0.00 WT1 H ATOM 23493 H2 TIP3 8062 50.985 90.285 23.157 1.00 0.00 WT1 H ATOM 23494 OH2 TIP3 8063 64.857 75.953 42.277 1.00 0.00 WT1 O ATOM 23495 H1 TIP3 8063 64.582 76.393 41.472 1.00 0.00 WT1 H ATOM 23496 H2 TIP3 8063 65.804 75.849 42.182 1.00 0.00 WT1 H ATOM 23497 OH2 TIP3 8064 59.807 73.818 -13.659 1.00 0.00 WT1 O ATOM 23498 H1 TIP3 8064 60.331 74.481 -13.211 1.00 0.00 WT1 H ATOM 23499 H2 TIP3 8064 59.716 73.111 -13.020 1.00 0.00 WT1 H ATOM 23500 OH2 TIP3 8065 51.406 31.360 -0.261 1.00 0.00 WT1 O ATOM 23501 H1 TIP3 8065 51.247 30.487 0.098 1.00 0.00 WT1 H ATOM 23502 H2 TIP3 8065 51.481 31.925 0.508 1.00 0.00 WT1 H ATOM 23503 OH2 TIP3 8066 34.027 36.880 32.612 1.00 0.00 WT1 O ATOM 23504 H1 TIP3 8066 33.084 36.971 32.481 1.00 0.00 WT1 H ATOM 23505 H2 TIP3 8066 34.369 37.769 32.519 1.00 0.00 WT1 H ATOM 23506 OH2 TIP3 8067 75.498 40.511 7.536 1.00 0.00 WT1 O ATOM 23507 H1 TIP3 8067 75.748 41.433 7.469 1.00 0.00 WT1 H ATOM 23508 H2 TIP3 8067 75.274 40.390 8.459 1.00 0.00 WT1 H ATOM 23509 OH2 TIP3 8068 32.160 61.208 23.520 1.00 0.00 WT1 O ATOM 23510 H1 TIP3 8068 32.374 62.121 23.328 1.00 0.00 WT1 H ATOM 23511 H2 TIP3 8068 32.476 61.070 24.413 1.00 0.00 WT1 H ATOM 23512 OH2 TIP3 8069 71.517 21.363 9.150 1.00 0.00 WT1 O ATOM 23513 H1 TIP3 8069 70.933 22.013 8.761 1.00 0.00 WT1 H ATOM 23514 H2 TIP3 8069 71.082 21.106 9.964 1.00 0.00 WT1 H ATOM 23515 OH2 TIP3 8070 56.909 24.215 -12.197 1.00 0.00 WT1 O ATOM 23516 H1 TIP3 8070 56.182 24.835 -12.137 1.00 0.00 WT1 H ATOM 23517 H2 TIP3 8070 57.165 24.234 -13.119 1.00 0.00 WT1 H ATOM 23518 OH2 TIP3 8071 28.534 38.814 -19.777 1.00 0.00 WT1 O ATOM 23519 H1 TIP3 8071 29.390 38.676 -19.372 1.00 0.00 WT1 H ATOM 23520 H2 TIP3 8071 28.625 38.454 -20.659 1.00 0.00 WT1 H ATOM 23521 OH2 TIP3 8072 82.106 35.024 46.258 1.00 0.00 WT1 O ATOM 23522 H1 TIP3 8072 82.539 35.410 45.497 1.00 0.00 WT1 H ATOM 23523 H2 TIP3 8072 82.191 35.686 46.944 1.00 0.00 WT1 H ATOM 23524 OH2 TIP3 8073 64.605 35.889 33.332 1.00 0.00 WT1 O ATOM 23525 H1 TIP3 8073 64.384 36.743 32.961 1.00 0.00 WT1 H ATOM 23526 H2 TIP3 8073 63.902 35.709 33.956 1.00 0.00 WT1 H ATOM 23527 OH2 TIP3 8074 59.677 55.667 59.551 1.00 0.00 WT1 O ATOM 23528 H1 TIP3 8074 59.216 55.840 58.730 1.00 0.00 WT1 H ATOM 23529 H2 TIP3 8074 59.245 56.231 60.192 1.00 0.00 WT1 H ATOM 23530 OH2 TIP3 8075 34.747 62.176 -14.769 1.00 0.00 WT1 O ATOM 23531 H1 TIP3 8075 35.636 61.953 -14.493 1.00 0.00 WT1 H ATOM 23532 H2 TIP3 8075 34.566 61.583 -15.498 1.00 0.00 WT1 H ATOM 23533 OH2 TIP3 8076 43.896 44.575 29.335 1.00 0.00 WT1 O ATOM 23534 H1 TIP3 8076 44.389 43.869 28.918 1.00 0.00 WT1 H ATOM 23535 H2 TIP3 8076 43.619 45.135 28.610 1.00 0.00 WT1 H ATOM 23536 OH2 TIP3 8077 79.824 17.254 67.060 1.00 0.00 WT1 O ATOM 23537 H1 TIP3 8077 79.620 18.079 66.618 1.00 0.00 WT1 H ATOM 23538 H2 TIP3 8077 80.702 17.385 67.418 1.00 0.00 WT1 H ATOM 23539 OH2 TIP3 8078 84.349 59.665 35.799 1.00 0.00 WT1 O ATOM 23540 H1 TIP3 8078 85.133 60.156 36.045 1.00 0.00 WT1 H ATOM 23541 H2 TIP3 8078 84.683 58.873 35.379 1.00 0.00 WT1 H ATOM 23542 OH2 TIP3 8079 67.642 82.198 5.980 1.00 0.00 WT1 O ATOM 23543 H1 TIP3 8079 68.075 81.661 5.317 1.00 0.00 WT1 H ATOM 23544 H2 TIP3 8079 67.214 81.567 6.559 1.00 0.00 WT1 H ATOM 23545 OH2 TIP3 8080 69.465 43.911 23.819 1.00 0.00 WT1 O ATOM 23546 H1 TIP3 8080 69.106 44.100 22.953 1.00 0.00 WT1 H ATOM 23547 H2 TIP3 8080 68.715 43.977 24.410 1.00 0.00 WT1 H ATOM 23548 OH2 TIP3 8081 77.033 44.919 24.764 1.00 0.00 WT1 O ATOM 23549 H1 TIP3 8081 77.023 45.597 25.440 1.00 0.00 WT1 H ATOM 23550 H2 TIP3 8081 76.708 45.360 23.979 1.00 0.00 WT1 H ATOM 23551 OH2 TIP3 8082 38.051 12.139 64.922 1.00 0.00 WT1 O ATOM 23552 H1 TIP3 8082 37.735 12.378 65.794 1.00 0.00 WT1 H ATOM 23553 H2 TIP3 8082 38.440 12.944 64.580 1.00 0.00 WT1 H ATOM 23554 OH2 TIP3 8083 72.870 82.879 31.388 1.00 0.00 WT1 O ATOM 23555 H1 TIP3 8083 73.442 82.984 32.148 1.00 0.00 WT1 H ATOM 23556 H2 TIP3 8083 72.313 82.132 31.608 1.00 0.00 WT1 H ATOM 23557 OH2 TIP3 8084 59.026 26.384 31.389 1.00 0.00 WT1 O ATOM 23558 H1 TIP3 8084 59.146 25.870 30.590 1.00 0.00 WT1 H ATOM 23559 H2 TIP3 8084 59.858 26.843 31.507 1.00 0.00 WT1 H ATOM 23560 OH2 TIP3 8085 61.771 22.584 13.055 1.00 0.00 WT1 O ATOM 23561 H1 TIP3 8085 61.251 23.283 12.659 1.00 0.00 WT1 H ATOM 23562 H2 TIP3 8085 61.155 22.121 13.624 1.00 0.00 WT1 H ATOM 23563 OH2 TIP3 8086 66.670 96.529 64.840 1.00 0.00 WT1 O ATOM 23564 H1 TIP3 8086 66.086 96.750 65.566 1.00 0.00 WT1 H ATOM 23565 H2 TIP3 8086 66.228 95.812 64.386 1.00 0.00 WT1 H ATOM 23566 OH2 TIP3 8087 70.022 44.584 42.134 1.00 0.00 WT1 O ATOM 23567 H1 TIP3 8087 70.182 43.837 42.711 1.00 0.00 WT1 H ATOM 23568 H2 TIP3 8087 70.733 44.550 41.495 1.00 0.00 WT1 H ATOM 23569 OH2 TIP3 8088 28.990 89.022 -3.325 1.00 0.00 WT1 O ATOM 23570 H1 TIP3 8088 29.749 88.529 -3.015 1.00 0.00 WT1 H ATOM 23571 H2 TIP3 8088 28.478 88.386 -3.825 1.00 0.00 WT1 H ATOM 23572 OH2 TIP3 8089 27.392 19.703 38.724 1.00 0.00 WT1 O ATOM 23573 H1 TIP3 8089 27.135 19.704 39.646 1.00 0.00 WT1 H ATOM 23574 H2 TIP3 8089 28.346 19.630 38.741 1.00 0.00 WT1 H ATOM 23575 OH2 TIP3 8090 83.858 37.664 -15.748 1.00 0.00 WT1 O ATOM 23576 H1 TIP3 8090 83.225 37.638 -16.465 1.00 0.00 WT1 H ATOM 23577 H2 TIP3 8090 83.437 38.201 -15.076 1.00 0.00 WT1 H ATOM 23578 OH2 TIP3 8091 46.540 45.556 12.697 1.00 0.00 WT1 O ATOM 23579 H1 TIP3 8091 46.386 44.614 12.622 1.00 0.00 WT1 H ATOM 23580 H2 TIP3 8091 46.801 45.685 13.609 1.00 0.00 WT1 H ATOM 23581 OH2 TIP3 8092 27.100 73.098 9.607 1.00 0.00 WT1 O ATOM 23582 H1 TIP3 8092 28.029 73.031 9.828 1.00 0.00 WT1 H ATOM 23583 H2 TIP3 8092 26.644 72.821 10.402 1.00 0.00 WT1 H ATOM 23584 OH2 TIP3 8093 58.967 6.351 27.090 1.00 0.00 WT1 O ATOM 23585 H1 TIP3 8093 58.975 5.596 26.501 1.00 0.00 WT1 H ATOM 23586 H2 TIP3 8093 58.961 7.110 26.508 1.00 0.00 WT1 H ATOM 23587 OH2 TIP3 8094 89.745 69.086 25.603 1.00 0.00 WT1 O ATOM 23588 H1 TIP3 8094 89.261 68.660 24.896 1.00 0.00 WT1 H ATOM 23589 H2 TIP3 8094 90.656 68.829 25.460 1.00 0.00 WT1 H ATOM 23590 OH2 TIP3 8095 33.274 74.121 22.457 1.00 0.00 WT1 O ATOM 23591 H1 TIP3 8095 33.390 74.198 21.510 1.00 0.00 WT1 H ATOM 23592 H2 TIP3 8095 32.816 73.289 22.575 1.00 0.00 WT1 H ATOM 23593 OH2 TIP3 8096 85.043 63.532 43.588 1.00 0.00 WT1 O ATOM 23594 H1 TIP3 8096 84.276 63.755 43.062 1.00 0.00 WT1 H ATOM 23595 H2 TIP3 8096 85.327 62.682 43.251 1.00 0.00 WT1 H ATOM 23596 OH2 TIP3 8097 46.168 0.839 56.890 1.00 0.00 WT1 O ATOM 23597 H1 TIP3 8097 45.529 0.147 56.717 1.00 0.00 WT1 H ATOM 23598 H2 TIP3 8097 46.815 0.431 57.465 1.00 0.00 WT1 H ATOM 23599 OH2 TIP3 8098 77.009 40.705 57.401 1.00 0.00 WT1 O ATOM 23600 H1 TIP3 8098 76.155 40.274 57.395 1.00 0.00 WT1 H ATOM 23601 H2 TIP3 8098 76.965 41.334 56.681 1.00 0.00 WT1 H ATOM 23602 OH2 TIP3 8099 25.839 87.345 30.838 1.00 0.00 WT1 O ATOM 23603 H1 TIP3 8099 26.114 86.756 31.542 1.00 0.00 WT1 H ATOM 23604 H2 TIP3 8099 25.044 86.945 30.488 1.00 0.00 WT1 H ATOM 23605 OH2 TIP3 8100 84.042 43.272 40.732 1.00 0.00 WT1 O ATOM 23606 H1 TIP3 8100 83.256 43.304 41.277 1.00 0.00 WT1 H ATOM 23607 H2 TIP3 8100 84.503 44.087 40.928 1.00 0.00 WT1 H ATOM 23608 OH2 TIP3 8101 48.456 39.371 -16.617 1.00 0.00 WT1 O ATOM 23609 H1 TIP3 8101 47.891 39.061 -15.909 1.00 0.00 WT1 H ATOM 23610 H2 TIP3 8101 48.365 38.709 -17.303 1.00 0.00 WT1 H ATOM 23611 OH2 TIP3 8102 68.626 15.801 -6.857 1.00 0.00 WT1 O ATOM 23612 H1 TIP3 8102 68.473 16.447 -6.168 1.00 0.00 WT1 H ATOM 23613 H2 TIP3 8102 68.144 16.137 -7.612 1.00 0.00 WT1 H ATOM 23614 OH2 TIP3 8103 62.816 67.635 -5.938 1.00 0.00 WT1 O ATOM 23615 H1 TIP3 8103 62.200 66.990 -6.284 1.00 0.00 WT1 H ATOM 23616 H2 TIP3 8103 62.799 67.499 -4.990 1.00 0.00 WT1 H ATOM 23617 OH2 TIP3 8104 74.105 81.359 28.710 1.00 0.00 WT1 O ATOM 23618 H1 TIP3 8104 73.586 81.525 27.923 1.00 0.00 WT1 H ATOM 23619 H2 TIP3 8104 73.491 81.488 29.433 1.00 0.00 WT1 H ATOM 23620 OH2 TIP3 8105 68.034 44.565 21.567 1.00 0.00 WT1 O ATOM 23621 H1 TIP3 8105 67.517 44.963 22.267 1.00 0.00 WT1 H ATOM 23622 H2 TIP3 8105 67.383 44.207 20.963 1.00 0.00 WT1 H ATOM 23623 OH2 TIP3 8106 66.215 23.285 4.944 1.00 0.00 WT1 O ATOM 23624 H1 TIP3 8106 65.613 23.456 4.221 1.00 0.00 WT1 H ATOM 23625 H2 TIP3 8106 66.311 24.131 5.382 1.00 0.00 WT1 H ATOM 23626 OH2 TIP3 8107 33.726 25.268 57.635 1.00 0.00 WT1 O ATOM 23627 H1 TIP3 8107 33.098 25.112 56.930 1.00 0.00 WT1 H ATOM 23628 H2 TIP3 8107 34.348 25.897 57.268 1.00 0.00 WT1 H ATOM 23629 OH2 TIP3 8108 33.274 37.506 52.714 1.00 0.00 WT1 O ATOM 23630 H1 TIP3 8108 33.391 37.772 51.802 1.00 0.00 WT1 H ATOM 23631 H2 TIP3 8108 33.727 38.180 53.221 1.00 0.00 WT1 H ATOM 23632 OH2 TIP3 8109 32.230 6.407 52.609 1.00 0.00 WT1 O ATOM 23633 H1 TIP3 8109 33.169 6.568 52.512 1.00 0.00 WT1 H ATOM 23634 H2 TIP3 8109 31.987 5.924 51.820 1.00 0.00 WT1 H ATOM 23635 OH2 TIP3 8110 22.769 28.297 36.429 1.00 0.00 WT1 O ATOM 23636 H1 TIP3 8110 21.881 27.987 36.253 1.00 0.00 WT1 H ATOM 23637 H2 TIP3 8110 22.780 29.196 36.100 1.00 0.00 WT1 H ATOM 23638 OH2 TIP3 8111 84.120 31.213 41.826 1.00 0.00 WT1 O ATOM 23639 H1 TIP3 8111 84.312 31.889 41.177 1.00 0.00 WT1 H ATOM 23640 H2 TIP3 8111 83.502 31.628 42.429 1.00 0.00 WT1 H ATOM 23641 OH2 TIP3 8112 52.267 91.928 36.515 1.00 0.00 WT1 O ATOM 23642 H1 TIP3 8112 51.473 92.451 36.627 1.00 0.00 WT1 H ATOM 23643 H2 TIP3 8112 52.039 91.068 36.868 1.00 0.00 WT1 H ATOM 23644 OH2 TIP3 8113 31.730 21.312 41.776 1.00 0.00 WT1 O ATOM 23645 H1 TIP3 8113 31.862 21.834 40.985 1.00 0.00 WT1 H ATOM 23646 H2 TIP3 8113 32.344 21.679 42.411 1.00 0.00 WT1 H ATOM 23647 OH2 TIP3 8114 46.692 89.431 25.223 1.00 0.00 WT1 O ATOM 23648 H1 TIP3 8114 45.952 89.698 25.768 1.00 0.00 WT1 H ATOM 23649 H2 TIP3 8114 47.236 88.897 25.802 1.00 0.00 WT1 H ATOM 23650 OH2 TIP3 8116 52.710 15.042 -6.848 1.00 0.00 WT1 O ATOM 23651 H1 TIP3 8116 52.349 15.244 -5.985 1.00 0.00 WT1 H ATOM 23652 H2 TIP3 8116 53.650 15.202 -6.758 1.00 0.00 WT1 H ATOM 23653 OH2 TIP3 8117 29.031 62.681 58.926 1.00 0.00 WT1 O ATOM 23654 H1 TIP3 8117 29.480 62.811 59.761 1.00 0.00 WT1 H ATOM 23655 H2 TIP3 8117 28.157 62.373 59.169 1.00 0.00 WT1 H ATOM 23656 OH2 TIP3 8118 85.595 31.605 0.953 1.00 0.00 WT1 O ATOM 23657 H1 TIP3 8118 85.196 31.688 1.819 1.00 0.00 WT1 H ATOM 23658 H2 TIP3 8118 85.919 30.705 0.923 1.00 0.00 WT1 H ATOM 23659 OH2 TIP3 8119 70.545 34.558 6.069 1.00 0.00 WT1 O ATOM 23660 H1 TIP3 8119 69.793 34.768 5.514 1.00 0.00 WT1 H ATOM 23661 H2 TIP3 8119 70.365 33.675 6.392 1.00 0.00 WT1 H ATOM 23662 OH2 TIP3 8120 41.444 73.604 17.894 1.00 0.00 WT1 O ATOM 23663 H1 TIP3 8120 41.580 72.657 17.849 1.00 0.00 WT1 H ATOM 23664 H2 TIP3 8120 42.326 73.969 17.974 1.00 0.00 WT1 H ATOM 23665 OH2 TIP3 8121 55.974 40.331 50.847 1.00 0.00 WT1 O ATOM 23666 H1 TIP3 8121 55.046 40.095 50.868 1.00 0.00 WT1 H ATOM 23667 H2 TIP3 8121 56.266 40.079 49.971 1.00 0.00 WT1 H ATOM 23668 OH2 TIP3 8122 65.300 45.596 -10.297 1.00 0.00 WT1 O ATOM 23669 H1 TIP3 8122 64.353 45.736 -10.293 1.00 0.00 WT1 H ATOM 23670 H2 TIP3 8122 65.442 44.935 -10.975 1.00 0.00 WT1 H ATOM 23671 OH2 TIP3 8123 76.511 26.346 62.761 1.00 0.00 WT1 O ATOM 23672 H1 TIP3 8123 75.853 26.909 62.353 1.00 0.00 WT1 H ATOM 23673 H2 TIP3 8123 76.986 26.925 63.357 1.00 0.00 WT1 H ATOM 23674 OH2 TIP3 8124 35.045 30.868 63.859 1.00 0.00 WT1 O ATOM 23675 H1 TIP3 8124 34.107 30.791 63.683 1.00 0.00 WT1 H ATOM 23676 H2 TIP3 8124 35.245 30.124 64.427 1.00 0.00 WT1 H ATOM 23677 OH2 TIP3 8125 25.726 0.398 14.734 1.00 0.00 WT1 O ATOM 23678 H1 TIP3 8125 26.487 -0.159 14.895 1.00 0.00 WT1 H ATOM 23679 H2 TIP3 8125 26.019 1.280 14.965 1.00 0.00 WT1 H ATOM 23680 OH2 TIP3 8126 87.388 12.938 66.133 1.00 0.00 WT1 O ATOM 23681 H1 TIP3 8126 86.980 12.082 65.999 1.00 0.00 WT1 H ATOM 23682 H2 TIP3 8126 87.661 13.213 65.258 1.00 0.00 WT1 H ATOM 23683 OH2 TIP3 8127 27.161 24.978 6.884 1.00 0.00 WT1 O ATOM 23684 H1 TIP3 8127 28.050 25.034 6.533 1.00 0.00 WT1 H ATOM 23685 H2 TIP3 8127 27.103 25.703 7.506 1.00 0.00 WT1 H ATOM 23686 OH2 TIP3 8128 88.858 41.957 8.189 1.00 0.00 WT1 O ATOM 23687 H1 TIP3 8128 88.354 42.592 7.680 1.00 0.00 WT1 H ATOM 23688 H2 TIP3 8128 89.745 42.015 7.834 1.00 0.00 WT1 H ATOM 23689 OH2 TIP3 8129 69.627 34.550 36.291 1.00 0.00 WT1 O ATOM 23690 H1 TIP3 8129 70.154 35.091 35.703 1.00 0.00 WT1 H ATOM 23691 H2 TIP3 8129 68.758 34.534 35.889 1.00 0.00 WT1 H ATOM 23692 OH2 TIP3 8130 23.477 74.331 43.659 1.00 0.00 WT1 O ATOM 23693 H1 TIP3 8130 23.701 74.262 42.731 1.00 0.00 WT1 H ATOM 23694 H2 TIP3 8130 23.439 73.425 43.966 1.00 0.00 WT1 H ATOM 23695 OH2 TIP3 8131 82.883 30.866 63.684 1.00 0.00 WT1 O ATOM 23696 H1 TIP3 8131 83.219 31.713 63.977 1.00 0.00 WT1 H ATOM 23697 H2 TIP3 8131 82.281 31.080 62.971 1.00 0.00 WT1 H ATOM 23698 OH2 TIP3 8132 65.664 41.023 31.628 1.00 0.00 WT1 O ATOM 23699 H1 TIP3 8132 65.492 40.617 30.778 1.00 0.00 WT1 H ATOM 23700 H2 TIP3 8132 65.425 41.942 31.507 1.00 0.00 WT1 H ATOM 23701 OH2 TIP3 8133 62.974 3.929 -12.367 1.00 0.00 WT1 O ATOM 23702 H1 TIP3 8133 63.398 4.784 -12.439 1.00 0.00 WT1 H ATOM 23703 H2 TIP3 8133 62.412 4.005 -11.596 1.00 0.00 WT1 H ATOM 23704 OH2 TIP3 8134 53.236 41.545 -3.109 1.00 0.00 WT1 O ATOM 23705 H1 TIP3 8134 53.327 40.593 -3.153 1.00 0.00 WT1 H ATOM 23706 H2 TIP3 8134 52.506 41.688 -2.506 1.00 0.00 WT1 H ATOM 23707 OH2 TIP3 8135 73.797 64.743 19.174 1.00 0.00 WT1 O ATOM 23708 H1 TIP3 8135 73.083 64.339 19.666 1.00 0.00 WT1 H ATOM 23709 H2 TIP3 8135 73.424 64.919 18.310 1.00 0.00 WT1 H ATOM 23710 OH2 TIP3 8136 80.586 92.803 -12.768 1.00 0.00 WT1 O ATOM 23711 H1 TIP3 8136 80.741 93.559 -12.202 1.00 0.00 WT1 H ATOM 23712 H2 TIP3 8136 81.435 92.364 -12.819 1.00 0.00 WT1 H ATOM 23713 OH2 TIP3 8137 86.492 55.904 50.987 1.00 0.00 WT1 O ATOM 23714 H1 TIP3 8137 87.356 56.310 50.915 1.00 0.00 WT1 H ATOM 23715 H2 TIP3 8137 86.030 56.178 50.195 1.00 0.00 WT1 H ATOM 23716 OH2 TIP3 8138 36.853 76.077 60.339 1.00 0.00 WT1 O ATOM 23717 H1 TIP3 8138 35.965 76.001 60.688 1.00 0.00 WT1 H ATOM 23718 H2 TIP3 8138 36.864 75.491 59.583 1.00 0.00 WT1 H ATOM 23719 OH2 TIP3 8139 64.134 8.344 35.610 1.00 0.00 WT1 O ATOM 23720 H1 TIP3 8139 64.091 8.719 36.490 1.00 0.00 WT1 H ATOM 23721 H2 TIP3 8139 65.055 8.422 35.361 1.00 0.00 WT1 H ATOM 23722 OH2 TIP3 8140 40.810 27.676 42.673 1.00 0.00 WT1 O ATOM 23723 H1 TIP3 8140 40.840 27.328 41.782 1.00 0.00 WT1 H ATOM 23724 H2 TIP3 8140 41.038 28.600 42.578 1.00 0.00 WT1 H ATOM 23725 OH2 TIP3 8141 37.482 83.295 40.082 1.00 0.00 WT1 O ATOM 23726 H1 TIP3 8141 37.846 82.496 39.702 1.00 0.00 WT1 H ATOM 23727 H2 TIP3 8141 38.247 83.823 40.309 1.00 0.00 WT1 H ATOM 23728 OH2 TIP3 8142 77.109 42.193 -8.762 1.00 0.00 WT1 O ATOM 23729 H1 TIP3 8142 77.409 41.285 -8.726 1.00 0.00 WT1 H ATOM 23730 H2 TIP3 8142 77.354 42.493 -9.637 1.00 0.00 WT1 H ATOM 23731 OH2 TIP3 8143 83.820 17.891 40.361 1.00 0.00 WT1 O ATOM 23732 H1 TIP3 8143 83.284 18.575 40.763 1.00 0.00 WT1 H ATOM 23733 H2 TIP3 8143 83.998 18.214 39.478 1.00 0.00 WT1 H ATOM 23734 OH2 TIP3 8144 21.392 12.273 8.537 1.00 0.00 WT1 O ATOM 23735 H1 TIP3 8144 20.454 12.114 8.637 1.00 0.00 WT1 H ATOM 23736 H2 TIP3 8144 21.718 12.360 9.433 1.00 0.00 WT1 H ATOM 23737 OH2 TIP3 8145 60.820 65.146 39.366 1.00 0.00 WT1 O ATOM 23738 H1 TIP3 8145 60.784 64.681 38.530 1.00 0.00 WT1 H ATOM 23739 H2 TIP3 8145 59.961 65.561 39.446 1.00 0.00 WT1 H ATOM 23740 OH2 TIP3 8146 38.067 16.553 10.163 1.00 0.00 WT1 O ATOM 23741 H1 TIP3 8146 38.182 15.612 10.296 1.00 0.00 WT1 H ATOM 23742 H2 TIP3 8146 38.362 16.706 9.265 1.00 0.00 WT1 H ATOM 23743 OH2 TIP3 8147 29.141 87.336 55.613 1.00 0.00 WT1 O ATOM 23744 H1 TIP3 8147 28.477 87.442 56.295 1.00 0.00 WT1 H ATOM 23745 H2 TIP3 8147 28.643 87.313 54.796 1.00 0.00 WT1 H ATOM 23746 OH2 TIP3 8148 74.531 46.069 -13.546 1.00 0.00 WT1 O ATOM 23747 H1 TIP3 8148 74.217 45.768 -14.398 1.00 0.00 WT1 H ATOM 23748 H2 TIP3 8148 75.390 45.660 -13.448 1.00 0.00 WT1 H ATOM 23749 OH2 TIP3 8149 45.305 33.226 58.049 1.00 0.00 WT1 O ATOM 23750 H1 TIP3 8149 45.915 33.240 58.787 1.00 0.00 WT1 H ATOM 23751 H2 TIP3 8149 44.446 33.377 58.445 1.00 0.00 WT1 H ATOM 23752 OH2 TIP3 8150 62.432 84.054 -3.460 1.00 0.00 WT1 O ATOM 23753 H1 TIP3 8150 62.533 84.269 -2.533 1.00 0.00 WT1 H ATOM 23754 H2 TIP3 8150 61.485 84.011 -3.594 1.00 0.00 WT1 H ATOM 23755 OH2 TIP3 8151 69.854 74.645 45.429 1.00 0.00 WT1 O ATOM 23756 H1 TIP3 8151 70.722 74.272 45.585 1.00 0.00 WT1 H ATOM 23757 H2 TIP3 8151 69.786 74.706 44.476 1.00 0.00 WT1 H ATOM 23758 OH2 TIP3 8152 65.623 44.555 41.573 1.00 0.00 WT1 O ATOM 23759 H1 TIP3 8152 64.774 44.118 41.507 1.00 0.00 WT1 H ATOM 23760 H2 TIP3 8152 65.410 45.484 41.658 1.00 0.00 WT1 H ATOM 23761 OH2 TIP3 8153 75.775 20.833 8.735 1.00 0.00 WT1 O ATOM 23762 H1 TIP3 8153 76.611 20.369 8.705 1.00 0.00 WT1 H ATOM 23763 H2 TIP3 8153 75.297 20.421 9.454 1.00 0.00 WT1 H ATOM 23764 OH2 TIP3 8154 84.015 25.461 39.708 1.00 0.00 WT1 O ATOM 23765 H1 TIP3 8154 83.335 25.079 39.153 1.00 0.00 WT1 H ATOM 23766 H2 TIP3 8154 84.273 26.263 39.254 1.00 0.00 WT1 H ATOM 23767 OH2 TIP3 8155 28.746 23.992 20.851 1.00 0.00 WT1 O ATOM 23768 H1 TIP3 8155 28.505 23.077 20.707 1.00 0.00 WT1 H ATOM 23769 H2 TIP3 8155 27.947 24.402 21.182 1.00 0.00 WT1 H ATOM 23770 OH2 TIP3 8156 58.795 32.793 11.824 1.00 0.00 WT1 O ATOM 23771 H1 TIP3 8156 58.053 32.362 11.399 1.00 0.00 WT1 H ATOM 23772 H2 TIP3 8156 58.643 32.664 12.761 1.00 0.00 WT1 H ATOM 23773 OH2 TIP3 8157 62.810 57.382 -4.994 1.00 0.00 WT1 O ATOM 23774 H1 TIP3 8157 62.082 56.787 -4.814 1.00 0.00 WT1 H ATOM 23775 H2 TIP3 8157 63.355 57.338 -4.208 1.00 0.00 WT1 H ATOM 23776 OH2 TIP3 8158 23.679 33.309 -14.530 1.00 0.00 WT1 O ATOM 23777 H1 TIP3 8158 23.966 32.610 -13.942 1.00 0.00 WT1 H ATOM 23778 H2 TIP3 8158 22.724 33.288 -14.478 1.00 0.00 WT1 H ATOM 23779 OH2 TIP3 8159 46.469 12.608 39.378 1.00 0.00 WT1 O ATOM 23780 H1 TIP3 8159 47.220 12.079 39.646 1.00 0.00 WT1 H ATOM 23781 H2 TIP3 8159 46.850 13.437 39.090 1.00 0.00 WT1 H ATOM 23782 OH2 TIP3 8160 58.548 45.149 66.132 1.00 0.00 WT1 O ATOM 23783 H1 TIP3 8160 58.227 46.007 65.856 1.00 0.00 WT1 H ATOM 23784 H2 TIP3 8160 58.233 44.546 65.459 1.00 0.00 WT1 H ATOM 23785 OH2 TIP3 8162 60.428 10.869 30.437 1.00 0.00 WT1 O ATOM 23786 H1 TIP3 8162 60.417 11.820 30.335 1.00 0.00 WT1 H ATOM 23787 H2 TIP3 8162 60.076 10.717 31.315 1.00 0.00 WT1 H ATOM 23788 OH2 TIP3 8163 70.658 23.749 17.161 1.00 0.00 WT1 O ATOM 23789 H1 TIP3 8163 70.394 24.606 16.826 1.00 0.00 WT1 H ATOM 23790 H2 TIP3 8163 69.978 23.150 16.852 1.00 0.00 WT1 H ATOM 23791 OH2 TIP3 8164 67.928 30.801 65.440 1.00 0.00 WT1 O ATOM 23792 H1 TIP3 8164 67.161 31.373 65.467 1.00 0.00 WT1 H ATOM 23793 H2 TIP3 8164 68.674 31.396 65.504 1.00 0.00 WT1 H ATOM 23794 OH2 TIP3 8165 64.245 13.834 -6.463 1.00 0.00 WT1 O ATOM 23795 H1 TIP3 8165 64.570 14.733 -6.417 1.00 0.00 WT1 H ATOM 23796 H2 TIP3 8165 63.296 13.917 -6.371 1.00 0.00 WT1 H ATOM 23797 OH2 TIP3 8166 32.262 46.084 -17.402 1.00 0.00 WT1 O ATOM 23798 H1 TIP3 8166 32.346 46.961 -17.028 1.00 0.00 WT1 H ATOM 23799 H2 TIP3 8166 32.133 45.512 -16.646 1.00 0.00 WT1 H ATOM 23800 OH2 TIP3 8167 28.564 29.352 19.148 1.00 0.00 WT1 O ATOM 23801 H1 TIP3 8167 28.848 29.450 18.240 1.00 0.00 WT1 H ATOM 23802 H2 TIP3 8167 28.162 30.192 19.366 1.00 0.00 WT1 H ATOM 23803 OH2 TIP3 8168 65.951 73.588 65.926 1.00 0.00 WT1 O ATOM 23804 H1 TIP3 8168 65.104 73.378 65.531 1.00 0.00 WT1 H ATOM 23805 H2 TIP3 8168 65.781 74.366 66.457 1.00 0.00 WT1 H ATOM 23806 OH2 TIP3 8169 36.541 6.765 -5.392 1.00 0.00 WT1 O ATOM 23807 H1 TIP3 8169 36.086 6.597 -4.567 1.00 0.00 WT1 H ATOM 23808 H2 TIP3 8169 35.853 7.059 -5.989 1.00 0.00 WT1 H ATOM 23809 OH2 TIP3 8170 72.203 50.489 3.053 1.00 0.00 WT1 O ATOM 23810 H1 TIP3 8170 71.820 49.828 2.476 1.00 0.00 WT1 H ATOM 23811 H2 TIP3 8170 72.613 49.985 3.756 1.00 0.00 WT1 H ATOM 23812 OH2 TIP3 8171 34.627 60.522 63.780 1.00 0.00 WT1 O ATOM 23813 H1 TIP3 8171 34.594 59.952 63.012 1.00 0.00 WT1 H ATOM 23814 H2 TIP3 8171 34.134 60.050 64.451 1.00 0.00 WT1 H ATOM 23815 OH2 TIP3 8172 78.882 28.193 -1.585 1.00 0.00 WT1 O ATOM 23816 H1 TIP3 8172 78.931 28.488 -2.494 1.00 0.00 WT1 H ATOM 23817 H2 TIP3 8172 79.789 28.201 -1.280 1.00 0.00 WT1 H ATOM 23818 OH2 TIP3 8173 75.941 58.782 63.621 1.00 0.00 WT1 O ATOM 23819 H1 TIP3 8173 75.533 58.006 64.005 1.00 0.00 WT1 H ATOM 23820 H2 TIP3 8173 75.256 59.168 63.074 1.00 0.00 WT1 H ATOM 23821 OH2 TIP3 8174 25.820 14.093 12.630 1.00 0.00 WT1 O ATOM 23822 H1 TIP3 8174 25.487 14.658 11.934 1.00 0.00 WT1 H ATOM 23823 H2 TIP3 8174 25.366 14.390 13.419 1.00 0.00 WT1 H ATOM 23824 OH2 TIP3 8175 45.383 23.001 -9.537 1.00 0.00 WT1 O ATOM 23825 H1 TIP3 8175 46.003 23.571 -9.082 1.00 0.00 WT1 H ATOM 23826 H2 TIP3 8175 44.752 23.601 -9.935 1.00 0.00 WT1 H ATOM 23827 OH2 TIP3 8176 85.298 58.161 53.542 1.00 0.00 WT1 O ATOM 23828 H1 TIP3 8176 84.833 57.883 54.331 1.00 0.00 WT1 H ATOM 23829 H2 TIP3 8176 85.074 57.502 52.885 1.00 0.00 WT1 H ATOM 23830 OH2 TIP3 8177 69.899 29.935 36.879 1.00 0.00 WT1 O ATOM 23831 H1 TIP3 8177 70.469 30.692 37.016 1.00 0.00 WT1 H ATOM 23832 H2 TIP3 8177 70.116 29.338 37.594 1.00 0.00 WT1 H ATOM 23833 OH2 TIP3 8178 46.132 90.534 39.992 1.00 0.00 WT1 O ATOM 23834 H1 TIP3 8178 46.155 91.421 39.633 1.00 0.00 WT1 H ATOM 23835 H2 TIP3 8178 45.275 90.194 39.735 1.00 0.00 WT1 H ATOM 23836 OH2 TIP3 8179 88.792 64.031 65.875 1.00 0.00 WT1 O ATOM 23837 H1 TIP3 8179 88.526 63.344 65.264 1.00 0.00 WT1 H ATOM 23838 H2 TIP3 8179 88.820 63.597 66.727 1.00 0.00 WT1 H ATOM 23839 OH2 TIP3 8180 32.278 29.056 8.066 1.00 0.00 WT1 O ATOM 23840 H1 TIP3 8180 32.185 29.969 7.793 1.00 0.00 WT1 H ATOM 23841 H2 TIP3 8180 33.056 29.049 8.622 1.00 0.00 WT1 H ATOM 23842 OH2 TIP3 8181 60.172 49.434 -9.728 1.00 0.00 WT1 O ATOM 23843 H1 TIP3 8181 61.048 49.552 -9.361 1.00 0.00 WT1 H ATOM 23844 H2 TIP3 8181 59.694 50.222 -9.467 1.00 0.00 WT1 H ATOM 23845 OH2 TIP3 8182 33.699 94.846 43.972 1.00 0.00 WT1 O ATOM 23846 H1 TIP3 8182 34.590 94.644 44.257 1.00 0.00 WT1 H ATOM 23847 H2 TIP3 8182 33.309 93.993 43.781 1.00 0.00 WT1 H ATOM 23848 OH2 TIP3 8183 76.609 41.074 49.469 1.00 0.00 WT1 O ATOM 23849 H1 TIP3 8183 76.170 40.809 48.661 1.00 0.00 WT1 H ATOM 23850 H2 TIP3 8183 76.124 41.845 49.764 1.00 0.00 WT1 H ATOM 23851 OH2 TIP3 8184 35.516 7.801 -14.828 1.00 0.00 WT1 O ATOM 23852 H1 TIP3 8184 35.119 8.669 -14.887 1.00 0.00 WT1 H ATOM 23853 H2 TIP3 8184 35.506 7.595 -13.893 1.00 0.00 WT1 H ATOM 23854 OH2 TIP3 8185 80.369 72.806 42.543 1.00 0.00 WT1 O ATOM 23855 H1 TIP3 8185 81.224 72.872 42.968 1.00 0.00 WT1 H ATOM 23856 H2 TIP3 8185 80.465 73.307 41.733 1.00 0.00 WT1 H ATOM 23857 OH2 TIP3 8186 86.517 37.278 19.665 1.00 0.00 WT1 O ATOM 23858 H1 TIP3 8186 86.207 38.152 19.430 1.00 0.00 WT1 H ATOM 23859 H2 TIP3 8186 87.005 36.981 18.898 1.00 0.00 WT1 H ATOM 23860 OH2 TIP3 8187 90.530 49.195 -2.186 1.00 0.00 WT1 O ATOM 23861 H1 TIP3 8187 89.779 48.828 -2.653 1.00 0.00 WT1 H ATOM 23862 H2 TIP3 8187 90.229 50.052 -1.884 1.00 0.00 WT1 H ATOM 23863 OH2 TIP3 8188 54.085 39.139 43.464 1.00 0.00 WT1 O ATOM 23864 H1 TIP3 8188 53.425 38.472 43.276 1.00 0.00 WT1 H ATOM 23865 H2 TIP3 8188 54.752 39.013 42.789 1.00 0.00 WT1 H ATOM 23866 OH2 TIP3 8189 21.728 6.617 -6.922 1.00 0.00 WT1 O ATOM 23867 H1 TIP3 8189 21.284 7.124 -7.602 1.00 0.00 WT1 H ATOM 23868 H2 TIP3 8189 21.331 6.914 -6.104 1.00 0.00 WT1 H ATOM 23869 OH2 TIP3 8190 52.639 95.380 4.361 1.00 0.00 WT1 O ATOM 23870 H1 TIP3 8190 52.693 94.981 5.229 1.00 0.00 WT1 H ATOM 23871 H2 TIP3 8190 51.972 96.061 4.451 1.00 0.00 WT1 H ATOM 23872 OH2 TIP3 8192 86.935 72.661 -9.317 1.00 0.00 WT1 O ATOM 23873 H1 TIP3 8192 86.365 72.097 -8.795 1.00 0.00 WT1 H ATOM 23874 H2 TIP3 8192 87.345 73.244 -8.678 1.00 0.00 WT1 H ATOM 23875 OH2 TIP3 8193 72.853 7.688 -4.613 1.00 0.00 WT1 O ATOM 23876 H1 TIP3 8193 73.087 7.385 -5.490 1.00 0.00 WT1 H ATOM 23877 H2 TIP3 8193 72.772 6.887 -4.095 1.00 0.00 WT1 H ATOM 23878 OH2 TIP3 8194 72.937 62.861 12.088 1.00 0.00 WT1 O ATOM 23879 H1 TIP3 8194 73.626 62.200 12.025 1.00 0.00 WT1 H ATOM 23880 H2 TIP3 8194 72.211 62.500 11.580 1.00 0.00 WT1 H ATOM 23881 OH2 TIP3 8195 67.141 30.997 24.010 1.00 0.00 WT1 O ATOM 23882 H1 TIP3 8195 68.054 31.227 24.183 1.00 0.00 WT1 H ATOM 23883 H2 TIP3 8195 67.159 30.057 23.832 1.00 0.00 WT1 H ATOM 23884 OH2 TIP3 8196 39.740 63.205 7.294 1.00 0.00 WT1 O ATOM 23885 H1 TIP3 8196 40.172 63.695 7.994 1.00 0.00 WT1 H ATOM 23886 H2 TIP3 8196 40.113 62.325 7.353 1.00 0.00 WT1 H ATOM 23887 OH2 TIP3 8197 21.590 37.213 -1.273 1.00 0.00 WT1 O ATOM 23888 H1 TIP3 8197 20.793 37.596 -0.907 1.00 0.00 WT1 H ATOM 23889 H2 TIP3 8197 22.286 37.492 -0.677 1.00 0.00 WT1 H ATOM 23890 OH2 TIP3 8198 74.780 87.727 2.488 1.00 0.00 WT1 O ATOM 23891 H1 TIP3 8198 74.555 86.841 2.772 1.00 0.00 WT1 H ATOM 23892 H2 TIP3 8198 73.968 88.072 2.116 1.00 0.00 WT1 H ATOM 23893 OH2 TIP3 8199 43.021 83.047 55.330 1.00 0.00 WT1 O ATOM 23894 H1 TIP3 8199 43.933 82.923 55.065 1.00 0.00 WT1 H ATOM 23895 H2 TIP3 8199 42.510 82.710 54.594 1.00 0.00 WT1 H ATOM 23896 OH2 TIP3 8200 60.101 45.865 -7.782 1.00 0.00 WT1 O ATOM 23897 H1 TIP3 8200 59.610 46.494 -7.254 1.00 0.00 WT1 H ATOM 23898 H2 TIP3 8200 60.967 46.259 -7.882 1.00 0.00 WT1 H ATOM 23899 OH2 TIP3 8201 75.113 91.131 -0.859 1.00 0.00 WT1 O ATOM 23900 H1 TIP3 8201 75.635 91.460 -0.127 1.00 0.00 WT1 H ATOM 23901 H2 TIP3 8201 74.468 91.819 -1.023 1.00 0.00 WT1 H ATOM 23902 OH2 TIP3 8202 36.629 60.696 28.406 1.00 0.00 WT1 O ATOM 23903 H1 TIP3 8202 36.804 61.147 27.580 1.00 0.00 WT1 H ATOM 23904 H2 TIP3 8202 36.995 61.272 29.076 1.00 0.00 WT1 H ATOM 23905 OH2 TIP3 8203 75.152 56.582 7.721 1.00 0.00 WT1 O ATOM 23906 H1 TIP3 8203 74.262 56.230 7.706 1.00 0.00 WT1 H ATOM 23907 H2 TIP3 8203 75.321 56.770 8.644 1.00 0.00 WT1 H ATOM 23908 OH2 TIP3 8204 56.599 49.467 37.986 1.00 0.00 WT1 O ATOM 23909 H1 TIP3 8204 56.939 50.313 37.696 1.00 0.00 WT1 H ATOM 23910 H2 TIP3 8204 56.241 49.068 37.193 1.00 0.00 WT1 H ATOM 23911 OH2 TIP3 8205 60.438 51.023 24.260 1.00 0.00 WT1 O ATOM 23912 H1 TIP3 8205 60.324 51.699 23.593 1.00 0.00 WT1 H ATOM 23913 H2 TIP3 8205 59.565 50.644 24.369 1.00 0.00 WT1 H ATOM 23914 OH2 TIP3 8206 20.572 45.989 65.097 1.00 0.00 WT1 O ATOM 23915 H1 TIP3 8206 19.714 46.325 64.838 1.00 0.00 WT1 H ATOM 23916 H2 TIP3 8206 20.657 46.232 66.019 1.00 0.00 WT1 H ATOM 23917 OH2 TIP3 8207 84.879 52.332 -19.149 1.00 0.00 WT1 O ATOM 23918 H1 TIP3 8207 84.309 52.096 -19.881 1.00 0.00 WT1 H ATOM 23919 H2 TIP3 8207 84.280 52.652 -18.473 1.00 0.00 WT1 H ATOM 23920 OH2 TIP3 8208 85.844 41.699 14.368 1.00 0.00 WT1 O ATOM 23921 H1 TIP3 8208 86.223 40.932 13.940 1.00 0.00 WT1 H ATOM 23922 H2 TIP3 8208 86.124 41.628 15.281 1.00 0.00 WT1 H ATOM 23923 OH2 TIP3 8209 77.259 54.696 10.445 1.00 0.00 WT1 O ATOM 23924 H1 TIP3 8209 76.949 53.801 10.582 1.00 0.00 WT1 H ATOM 23925 H2 TIP3 8209 77.027 55.156 11.252 1.00 0.00 WT1 H ATOM 23926 OH2 TIP3 8210 57.504 14.618 7.018 1.00 0.00 WT1 O ATOM 23927 H1 TIP3 8210 57.319 13.718 6.750 1.00 0.00 WT1 H ATOM 23928 H2 TIP3 8210 56.649 14.978 7.255 1.00 0.00 WT1 H ATOM 23929 OH2 TIP3 8212 69.254 53.800 3.940 1.00 0.00 WT1 O ATOM 23930 H1 TIP3 8212 68.990 54.703 3.763 1.00 0.00 WT1 H ATOM 23931 H2 TIP3 8212 69.300 53.747 4.895 1.00 0.00 WT1 H ATOM 23932 OH2 TIP3 8215 76.915 49.050 -11.931 1.00 0.00 WT1 O ATOM 23933 H1 TIP3 8215 76.479 49.890 -11.791 1.00 0.00 WT1 H ATOM 23934 H2 TIP3 8215 76.589 48.490 -11.227 1.00 0.00 WT1 H ATOM 23935 OH2 TIP3 8216 41.146 40.671 35.576 1.00 0.00 WT1 O ATOM 23936 H1 TIP3 8216 40.518 40.665 34.854 1.00 0.00 WT1 H ATOM 23937 H2 TIP3 8216 41.675 41.455 35.428 1.00 0.00 WT1 H ATOM 23938 OH2 TIP3 8217 77.799 59.517 48.460 1.00 0.00 WT1 O ATOM 23939 H1 TIP3 8217 78.085 59.605 49.369 1.00 0.00 WT1 H ATOM 23940 H2 TIP3 8217 76.900 59.194 48.521 1.00 0.00 WT1 H ATOM 23941 OH2 TIP3 8218 82.097 30.030 57.554 1.00 0.00 WT1 O ATOM 23942 H1 TIP3 8218 82.154 29.882 56.610 1.00 0.00 WT1 H ATOM 23943 H2 TIP3 8218 81.989 30.978 57.642 1.00 0.00 WT1 H ATOM 23944 OH2 TIP3 8219 61.833 15.692 -9.282 1.00 0.00 WT1 O ATOM 23945 H1 TIP3 8219 62.015 15.289 -8.433 1.00 0.00 WT1 H ATOM 23946 H2 TIP3 8219 61.019 16.177 -9.148 1.00 0.00 WT1 H ATOM 23947 OH2 TIP3 8220 42.020 63.420 13.027 1.00 0.00 WT1 O ATOM 23948 H1 TIP3 8220 42.225 63.617 13.941 1.00 0.00 WT1 H ATOM 23949 H2 TIP3 8220 42.849 63.120 12.655 1.00 0.00 WT1 H ATOM 23950 OH2 TIP3 8221 62.002 19.059 17.463 1.00 0.00 WT1 O ATOM 23951 H1 TIP3 8221 62.616 19.113 16.730 1.00 0.00 WT1 H ATOM 23952 H2 TIP3 8221 62.533 19.257 18.235 1.00 0.00 WT1 H ATOM 23953 OH2 TIP3 8222 36.877 63.687 29.355 1.00 0.00 WT1 O ATOM 23954 H1 TIP3 8222 37.560 63.845 28.703 1.00 0.00 WT1 H ATOM 23955 H2 TIP3 8222 37.356 63.511 30.165 1.00 0.00 WT1 H ATOM 23956 OH2 TIP3 8223 57.018 50.947 -12.334 1.00 0.00 WT1 O ATOM 23957 H1 TIP3 8223 56.418 50.203 -12.384 1.00 0.00 WT1 H ATOM 23958 H2 TIP3 8223 57.872 50.556 -12.152 1.00 0.00 WT1 H ATOM 23959 OH2 TIP3 8224 22.989 27.319 1.370 1.00 0.00 WT1 O ATOM 23960 H1 TIP3 8224 23.354 28.195 1.244 1.00 0.00 WT1 H ATOM 23961 H2 TIP3 8224 23.074 26.898 0.514 1.00 0.00 WT1 H ATOM 23962 OH2 TIP3 8225 66.377 29.835 27.585 1.00 0.00 WT1 O ATOM 23963 H1 TIP3 8225 65.635 29.918 26.985 1.00 0.00 WT1 H ATOM 23964 H2 TIP3 8225 66.376 30.653 28.082 1.00 0.00 WT1 H ATOM 23965 OH2 TIP3 8226 82.322 41.301 32.889 1.00 0.00 WT1 O ATOM 23966 H1 TIP3 8226 82.233 41.046 33.807 1.00 0.00 WT1 H ATOM 23967 H2 TIP3 8226 81.752 40.696 32.415 1.00 0.00 WT1 H ATOM 23968 OH2 TIP3 8227 77.071 27.981 -10.406 1.00 0.00 WT1 O ATOM 23969 H1 TIP3 8227 77.008 28.931 -10.311 1.00 0.00 WT1 H ATOM 23970 H2 TIP3 8227 76.734 27.634 -9.580 1.00 0.00 WT1 H ATOM 23971 OH2 TIP3 8228 80.688 87.671 6.229 1.00 0.00 WT1 O ATOM 23972 H1 TIP3 8228 81.264 88.434 6.276 1.00 0.00 WT1 H ATOM 23973 H2 TIP3 8228 80.032 87.906 5.572 1.00 0.00 WT1 H ATOM 23974 OH2 TIP3 8229 64.874 9.549 3.743 1.00 0.00 WT1 O ATOM 23975 H1 TIP3 8229 64.365 10.326 3.973 1.00 0.00 WT1 H ATOM 23976 H2 TIP3 8229 64.935 9.052 4.558 1.00 0.00 WT1 H ATOM 23977 OH2 TIP3 8230 43.214 88.005 19.581 1.00 0.00 WT1 O ATOM 23978 H1 TIP3 8230 43.163 88.798 19.047 1.00 0.00 WT1 H ATOM 23979 H2 TIP3 8230 42.450 88.054 20.157 1.00 0.00 WT1 H ATOM 23980 OH2 TIP3 8231 42.647 24.557 1.456 1.00 0.00 WT1 O ATOM 23981 H1 TIP3 8231 41.967 24.508 0.784 1.00 0.00 WT1 H ATOM 23982 H2 TIP3 8231 43.437 24.812 0.981 1.00 0.00 WT1 H ATOM 23983 OH2 TIP3 8232 62.969 52.724 33.246 1.00 0.00 WT1 O ATOM 23984 H1 TIP3 8232 62.655 53.609 33.433 1.00 0.00 WT1 H ATOM 23985 H2 TIP3 8232 62.290 52.340 32.692 1.00 0.00 WT1 H ATOM 23986 OH2 TIP3 8233 24.509 64.809 35.858 1.00 0.00 WT1 O ATOM 23987 H1 TIP3 8233 25.108 64.271 35.342 1.00 0.00 WT1 H ATOM 23988 H2 TIP3 8233 23.660 64.374 35.770 1.00 0.00 WT1 H ATOM 23989 OH2 TIP3 8234 64.372 42.010 -9.844 1.00 0.00 WT1 O ATOM 23990 H1 TIP3 8234 65.122 42.331 -10.344 1.00 0.00 WT1 H ATOM 23991 H2 TIP3 8234 63.812 42.778 -9.731 1.00 0.00 WT1 H ATOM 23992 OH2 TIP3 8235 39.429 63.939 -13.515 1.00 0.00 WT1 O ATOM 23993 H1 TIP3 8235 39.444 63.586 -12.625 1.00 0.00 WT1 H ATOM 23994 H2 TIP3 8235 40.187 64.521 -13.555 1.00 0.00 WT1 H ATOM 23995 OH2 TIP3 8236 55.429 30.416 36.016 1.00 0.00 WT1 O ATOM 23996 H1 TIP3 8236 55.031 31.090 35.465 1.00 0.00 WT1 H ATOM 23997 H2 TIP3 8236 55.771 30.894 36.771 1.00 0.00 WT1 H ATOM 23998 OH2 TIP3 8237 64.319 38.242 59.930 1.00 0.00 WT1 O ATOM 23999 H1 TIP3 8237 65.069 38.828 60.026 1.00 0.00 WT1 H ATOM 24000 H2 TIP3 8237 64.340 37.695 60.715 1.00 0.00 WT1 H ATOM 24001 OH2 TIP3 8238 81.148 0.174 -8.851 1.00 0.00 WT1 O ATOM 24002 H1 TIP3 8238 80.572 -0.192 -8.180 1.00 0.00 WT1 H ATOM 24003 H2 TIP3 8238 80.722 0.990 -9.114 1.00 0.00 WT1 H ATOM 24004 OH2 TIP3 8239 61.887 1.721 14.605 1.00 0.00 WT1 O ATOM 24005 H1 TIP3 8239 61.743 2.479 14.039 1.00 0.00 WT1 H ATOM 24006 H2 TIP3 8239 61.616 2.015 15.475 1.00 0.00 WT1 H ATOM 24007 OH2 TIP3 8240 87.730 34.424 -12.344 1.00 0.00 WT1 O ATOM 24008 H1 TIP3 8240 88.298 33.959 -12.958 1.00 0.00 WT1 H ATOM 24009 H2 TIP3 8240 87.143 34.936 -12.900 1.00 0.00 WT1 H ATOM 24010 OH2 TIP3 8241 90.700 45.159 7.517 1.00 0.00 WT1 O ATOM 24011 H1 TIP3 8241 90.002 44.948 8.137 1.00 0.00 WT1 H ATOM 24012 H2 TIP3 8241 90.352 44.894 6.665 1.00 0.00 WT1 H ATOM 24013 OH2 TIP3 8242 24.057 27.796 -11.445 1.00 0.00 WT1 O ATOM 24014 H1 TIP3 8242 24.408 26.992 -11.060 1.00 0.00 WT1 H ATOM 24015 H2 TIP3 8242 23.425 27.494 -12.097 1.00 0.00 WT1 H ATOM 24016 OH2 TIP3 8244 28.297 81.036 38.670 1.00 0.00 WT1 O ATOM 24017 H1 TIP3 8244 27.682 80.382 38.338 1.00 0.00 WT1 H ATOM 24018 H2 TIP3 8244 27.756 81.636 39.183 1.00 0.00 WT1 H ATOM 24019 OH2 TIP3 8245 50.486 42.858 29.480 1.00 0.00 WT1 O ATOM 24020 H1 TIP3 8245 50.780 43.669 29.065 1.00 0.00 WT1 H ATOM 24021 H2 TIP3 8245 50.046 42.375 28.780 1.00 0.00 WT1 H ATOM 24022 OH2 TIP3 8246 89.825 46.609 22.591 1.00 0.00 WT1 O ATOM 24023 H1 TIP3 8246 90.624 47.111 22.433 1.00 0.00 WT1 H ATOM 24024 H2 TIP3 8246 89.479 46.426 21.717 1.00 0.00 WT1 H ATOM 24025 OH2 TIP3 8248 84.119 24.554 48.752 1.00 0.00 WT1 O ATOM 24026 H1 TIP3 8248 84.939 24.726 48.290 1.00 0.00 WT1 H ATOM 24027 H2 TIP3 8248 83.632 25.376 48.690 1.00 0.00 WT1 H ATOM 24028 OH2 TIP3 8249 55.557 46.499 40.164 1.00 0.00 WT1 O ATOM 24029 H1 TIP3 8249 54.827 46.297 39.580 1.00 0.00 WT1 H ATOM 24030 H2 TIP3 8249 56.274 46.741 39.578 1.00 0.00 WT1 H ATOM 24031 OH2 TIP3 8250 86.105 9.099 61.549 1.00 0.00 WT1 O ATOM 24032 H1 TIP3 8250 86.906 8.676 61.238 1.00 0.00 WT1 H ATOM 24033 H2 TIP3 8250 85.649 8.417 62.042 1.00 0.00 WT1 H ATOM 24034 OH2 TIP3 8251 25.663 79.606 25.145 1.00 0.00 WT1 O ATOM 24035 H1 TIP3 8251 25.009 79.186 24.586 1.00 0.00 WT1 H ATOM 24036 H2 TIP3 8251 26.128 80.206 24.562 1.00 0.00 WT1 H ATOM 24037 OH2 TIP3 8252 59.201 17.839 55.379 1.00 0.00 WT1 O ATOM 24038 H1 TIP3 8252 59.103 18.265 54.527 1.00 0.00 WT1 H ATOM 24039 H2 TIP3 8252 59.543 18.526 55.952 1.00 0.00 WT1 H ATOM 24040 OH2 TIP3 8253 41.385 85.789 53.068 1.00 0.00 WT1 O ATOM 24041 H1 TIP3 8253 42.135 85.212 52.925 1.00 0.00 WT1 H ATOM 24042 H2 TIP3 8253 41.392 86.382 52.317 1.00 0.00 WT1 H ATOM 24043 OH2 TIP3 8254 40.958 53.694 62.744 1.00 0.00 WT1 O ATOM 24044 H1 TIP3 8254 40.179 53.318 62.332 1.00 0.00 WT1 H ATOM 24045 H2 TIP3 8254 40.622 54.410 63.283 1.00 0.00 WT1 H ATOM 24046 OH2 TIP3 8255 43.316 49.598 57.001 1.00 0.00 WT1 O ATOM 24047 H1 TIP3 8255 42.532 50.103 56.785 1.00 0.00 WT1 H ATOM 24048 H2 TIP3 8255 43.997 50.258 57.135 1.00 0.00 WT1 H ATOM 24049 OH2 TIP3 8256 55.253 6.879 -6.963 1.00 0.00 WT1 O ATOM 24050 H1 TIP3 8256 55.427 6.883 -7.905 1.00 0.00 WT1 H ATOM 24051 H2 TIP3 8256 54.675 7.629 -6.823 1.00 0.00 WT1 H ATOM 24052 OH2 TIP3 8257 40.031 2.830 41.061 1.00 0.00 WT1 O ATOM 24053 H1 TIP3 8257 40.522 3.570 40.706 1.00 0.00 WT1 H ATOM 24054 H2 TIP3 8257 39.648 3.162 41.873 1.00 0.00 WT1 H ATOM 24055 OH2 TIP3 8258 38.245 56.556 51.989 1.00 0.00 WT1 O ATOM 24056 H1 TIP3 8258 38.348 56.342 51.062 1.00 0.00 WT1 H ATOM 24057 H2 TIP3 8258 39.086 56.324 52.384 1.00 0.00 WT1 H ATOM 24058 OH2 TIP3 8259 23.272 59.268 -5.304 1.00 0.00 WT1 O ATOM 24059 H1 TIP3 8259 23.736 59.620 -4.544 1.00 0.00 WT1 H ATOM 24060 H2 TIP3 8259 22.525 59.855 -5.422 1.00 0.00 WT1 H ATOM 24061 OH2 TIP3 8260 34.805 16.815 -10.882 1.00 0.00 WT1 O ATOM 24062 H1 TIP3 8260 35.099 17.687 -10.619 1.00 0.00 WT1 H ATOM 24063 H2 TIP3 8260 35.005 16.766 -11.816 1.00 0.00 WT1 H ATOM 24064 OH2 TIP3 8261 22.231 44.326 28.156 1.00 0.00 WT1 O ATOM 24065 H1 TIP3 8261 21.279 44.408 28.098 1.00 0.00 WT1 H ATOM 24066 H2 TIP3 8261 22.467 44.818 28.943 1.00 0.00 WT1 H ATOM 24067 OH2 TIP3 8262 22.111 48.564 44.354 1.00 0.00 WT1 O ATOM 24068 H1 TIP3 8262 21.646 49.401 44.339 1.00 0.00 WT1 H ATOM 24069 H2 TIP3 8262 22.966 48.758 43.970 1.00 0.00 WT1 H ATOM 24070 OH2 TIP3 8263 74.309 85.832 50.677 1.00 0.00 WT1 O ATOM 24071 H1 TIP3 8263 73.587 85.351 50.274 1.00 0.00 WT1 H ATOM 24072 H2 TIP3 8263 75.096 85.373 50.383 1.00 0.00 WT1 H ATOM 24073 OH2 TIP3 8264 85.841 71.440 18.819 1.00 0.00 WT1 O ATOM 24074 H1 TIP3 8264 86.159 71.802 17.992 1.00 0.00 WT1 H ATOM 24075 H2 TIP3 8264 84.962 71.119 18.619 1.00 0.00 WT1 H ATOM 24076 OH2 TIP3 8265 39.772 49.533 65.491 1.00 0.00 WT1 O ATOM 24077 H1 TIP3 8265 39.185 49.981 64.882 1.00 0.00 WT1 H ATOM 24078 H2 TIP3 8265 39.212 48.904 65.946 1.00 0.00 WT1 H ATOM 24079 OH2 TIP3 8266 88.721 26.973 -7.294 1.00 0.00 WT1 O ATOM 24080 H1 TIP3 8266 88.237 26.520 -6.603 1.00 0.00 WT1 H ATOM 24081 H2 TIP3 8266 88.379 27.867 -7.281 1.00 0.00 WT1 H ATOM 24082 OH2 TIP3 8267 45.360 34.654 45.881 1.00 0.00 WT1 O ATOM 24083 H1 TIP3 8267 45.975 35.336 45.610 1.00 0.00 WT1 H ATOM 24084 H2 TIP3 8267 45.655 34.398 46.755 1.00 0.00 WT1 H ATOM 24085 OH2 TIP3 8268 32.353 32.455 45.279 1.00 0.00 WT1 O ATOM 24086 H1 TIP3 8268 32.056 32.030 46.084 1.00 0.00 WT1 H ATOM 24087 H2 TIP3 8268 32.977 31.837 44.898 1.00 0.00 WT1 H ATOM 24088 OH2 TIP3 8269 79.590 64.066 34.159 1.00 0.00 WT1 O ATOM 24089 H1 TIP3 8269 78.943 64.099 33.454 1.00 0.00 WT1 H ATOM 24090 H2 TIP3 8269 79.071 64.094 34.962 1.00 0.00 WT1 H ATOM 24091 OH2 TIP3 8271 65.895 70.547 2.619 1.00 0.00 WT1 O ATOM 24092 H1 TIP3 8271 66.131 70.929 1.773 1.00 0.00 WT1 H ATOM 24093 H2 TIP3 8271 65.072 70.975 2.854 1.00 0.00 WT1 H ATOM 24094 OH2 TIP3 8272 52.984 73.338 -11.809 1.00 0.00 WT1 O ATOM 24095 H1 TIP3 8272 52.513 72.525 -11.625 1.00 0.00 WT1 H ATOM 24096 H2 TIP3 8272 53.745 73.064 -12.321 1.00 0.00 WT1 H ATOM 24097 OH2 TIP3 8273 29.038 64.376 55.694 1.00 0.00 WT1 O ATOM 24098 H1 TIP3 8273 29.161 64.721 56.578 1.00 0.00 WT1 H ATOM 24099 H2 TIP3 8273 29.925 64.197 55.381 1.00 0.00 WT1 H ATOM 24100 OH2 TIP3 8274 30.980 78.200 -16.189 1.00 0.00 WT1 O ATOM 24101 H1 TIP3 8274 30.279 78.585 -16.714 1.00 0.00 WT1 H ATOM 24102 H2 TIP3 8274 30.525 77.704 -15.508 1.00 0.00 WT1 H ATOM 24103 OH2 TIP3 8275 66.116 63.316 13.431 1.00 0.00 WT1 O ATOM 24104 H1 TIP3 8275 65.397 63.850 13.768 1.00 0.00 WT1 H ATOM 24105 H2 TIP3 8275 65.868 62.417 13.643 1.00 0.00 WT1 H ATOM 24106 OH2 TIP3 8276 81.531 48.129 14.179 1.00 0.00 WT1 O ATOM 24107 H1 TIP3 8276 80.661 47.732 14.158 1.00 0.00 WT1 H ATOM 24108 H2 TIP3 8276 81.763 48.149 15.108 1.00 0.00 WT1 H ATOM 24109 OH2 TIP3 8277 70.959 78.572 4.611 1.00 0.00 WT1 O ATOM 24110 H1 TIP3 8277 70.299 78.267 5.234 1.00 0.00 WT1 H ATOM 24111 H2 TIP3 8277 70.707 79.475 4.418 1.00 0.00 WT1 H ATOM 24112 OH2 TIP3 8278 27.392 37.611 62.383 1.00 0.00 WT1 O ATOM 24113 H1 TIP3 8278 28.265 37.225 62.307 1.00 0.00 WT1 H ATOM 24114 H2 TIP3 8278 27.550 38.501 62.699 1.00 0.00 WT1 H ATOM 24115 OH2 TIP3 8279 29.788 50.254 66.654 1.00 0.00 WT1 O ATOM 24116 H1 TIP3 8279 30.337 50.191 67.435 1.00 0.00 WT1 H ATOM 24117 H2 TIP3 8279 30.149 49.603 66.053 1.00 0.00 WT1 H ATOM 24118 OH2 TIP3 8280 85.698 47.521 32.004 1.00 0.00 WT1 O ATOM 24119 H1 TIP3 8280 85.216 47.678 31.193 1.00 0.00 WT1 H ATOM 24120 H2 TIP3 8280 85.963 46.603 31.952 1.00 0.00 WT1 H ATOM 24121 OH2 TIP3 8281 57.389 48.417 50.854 1.00 0.00 WT1 O ATOM 24122 H1 TIP3 8281 57.459 48.351 49.902 1.00 0.00 WT1 H ATOM 24123 H2 TIP3 8281 57.988 49.125 51.090 1.00 0.00 WT1 H ATOM 24124 OH2 TIP3 8282 64.429 36.696 -5.978 1.00 0.00 WT1 O ATOM 24125 H1 TIP3 8282 64.317 35.755 -5.838 1.00 0.00 WT1 H ATOM 24126 H2 TIP3 8282 64.228 36.826 -6.905 1.00 0.00 WT1 H ATOM 24127 OH2 TIP3 8283 64.188 48.537 9.291 1.00 0.00 WT1 O ATOM 24128 H1 TIP3 8283 63.346 48.097 9.414 1.00 0.00 WT1 H ATOM 24129 H2 TIP3 8283 64.315 49.042 10.094 1.00 0.00 WT1 H ATOM 24130 OH2 TIP3 8285 69.199 43.082 62.786 1.00 0.00 WT1 O ATOM 24131 H1 TIP3 8285 69.750 43.426 63.489 1.00 0.00 WT1 H ATOM 24132 H2 TIP3 8285 69.503 43.534 61.999 1.00 0.00 WT1 H ATOM 24133 OH2 TIP3 8286 38.567 19.079 31.286 1.00 0.00 WT1 O ATOM 24134 H1 TIP3 8286 38.394 19.633 30.526 1.00 0.00 WT1 H ATOM 24135 H2 TIP3 8286 38.721 18.208 30.919 1.00 0.00 WT1 H ATOM 24136 OH2 TIP3 8287 40.104 77.041 11.016 1.00 0.00 WT1 O ATOM 24137 H1 TIP3 8287 40.711 76.337 11.247 1.00 0.00 WT1 H ATOM 24138 H2 TIP3 8287 39.568 77.162 11.800 1.00 0.00 WT1 H ATOM 24139 OH2 TIP3 8288 51.838 16.630 50.997 1.00 0.00 WT1 O ATOM 24140 H1 TIP3 8288 51.388 17.441 51.235 1.00 0.00 WT1 H ATOM 24141 H2 TIP3 8288 51.253 16.205 50.370 1.00 0.00 WT1 H ATOM 24142 OH2 TIP3 8289 87.782 40.643 43.074 1.00 0.00 WT1 O ATOM 24143 H1 TIP3 8289 87.427 41.117 43.826 1.00 0.00 WT1 H ATOM 24144 H2 TIP3 8289 87.876 41.309 42.393 1.00 0.00 WT1 H ATOM 24145 OH2 TIP3 8290 50.476 74.170 -2.423 1.00 0.00 WT1 O ATOM 24146 H1 TIP3 8290 51.402 74.213 -2.665 1.00 0.00 WT1 H ATOM 24147 H2 TIP3 8290 50.226 75.082 -2.271 1.00 0.00 WT1 H ATOM 24148 OH2 TIP3 8291 21.644 83.879 42.850 1.00 0.00 WT1 O ATOM 24149 H1 TIP3 8291 21.531 84.496 43.573 1.00 0.00 WT1 H ATOM 24150 H2 TIP3 8291 21.647 84.426 42.065 1.00 0.00 WT1 H ATOM 24151 OH2 TIP3 8292 38.414 0.187 20.748 1.00 0.00 WT1 O ATOM 24152 H1 TIP3 8292 38.236 -0.742 20.603 1.00 0.00 WT1 H ATOM 24153 H2 TIP3 8292 37.688 0.487 21.296 1.00 0.00 WT1 H ATOM 24154 OH2 TIP3 8293 61.331 37.271 66.320 1.00 0.00 WT1 O ATOM 24155 H1 TIP3 8293 61.161 38.106 65.884 1.00 0.00 WT1 H ATOM 24156 H2 TIP3 8293 60.549 36.747 66.147 1.00 0.00 WT1 H ATOM 24157 OH2 TIP3 8294 48.548 26.710 3.555 1.00 0.00 WT1 O ATOM 24158 H1 TIP3 8294 47.801 26.195 3.861 1.00 0.00 WT1 H ATOM 24159 H2 TIP3 8294 48.246 27.617 3.593 1.00 0.00 WT1 H ATOM 24160 OH2 TIP3 8295 59.870 66.659 25.330 1.00 0.00 WT1 O ATOM 24161 H1 TIP3 8295 60.189 66.702 24.429 1.00 0.00 WT1 H ATOM 24162 H2 TIP3 8295 59.040 66.186 25.269 1.00 0.00 WT1 H ATOM 24163 OH2 TIP3 8296 59.161 86.516 17.565 1.00 0.00 WT1 O ATOM 24164 H1 TIP3 8296 60.085 86.353 17.752 1.00 0.00 WT1 H ATOM 24165 H2 TIP3 8296 58.690 86.051 18.257 1.00 0.00 WT1 H ATOM 24166 OH2 TIP3 8297 69.007 49.881 64.598 1.00 0.00 WT1 O ATOM 24167 H1 TIP3 8297 68.927 50.641 65.174 1.00 0.00 WT1 H ATOM 24168 H2 TIP3 8297 68.944 50.242 63.714 1.00 0.00 WT1 H ATOM 24169 OH2 TIP3 8298 22.492 69.437 41.406 1.00 0.00 WT1 O ATOM 24170 H1 TIP3 8298 22.710 69.024 42.241 1.00 0.00 WT1 H ATOM 24171 H2 TIP3 8298 22.951 68.911 40.751 1.00 0.00 WT1 H ATOM 24172 OH2 TIP3 8299 66.513 24.582 9.234 1.00 0.00 WT1 O ATOM 24173 H1 TIP3 8299 66.906 23.710 9.184 1.00 0.00 WT1 H ATOM 24174 H2 TIP3 8299 65.811 24.491 9.879 1.00 0.00 WT1 H ATOM 24175 OH2 TIP3 8300 68.448 48.561 -19.592 1.00 0.00 WT1 O ATOM 24176 H1 TIP3 8300 68.565 49.411 -20.017 1.00 0.00 WT1 H ATOM 24177 H2 TIP3 8300 67.701 48.686 -19.007 1.00 0.00 WT1 H ATOM 24178 OH2 TIP3 8301 75.379 89.173 12.531 1.00 0.00 WT1 O ATOM 24179 H1 TIP3 8301 76.326 89.181 12.669 1.00 0.00 WT1 H ATOM 24180 H2 TIP3 8301 75.029 88.731 13.305 1.00 0.00 WT1 H ATOM 24181 OH2 TIP3 8302 51.778 41.440 21.461 1.00 0.00 WT1 O ATOM 24182 H1 TIP3 8302 51.892 42.360 21.222 1.00 0.00 WT1 H ATOM 24183 H2 TIP3 8302 51.259 41.069 20.746 1.00 0.00 WT1 H ATOM 24184 OH2 TIP3 8303 22.482 67.913 29.046 1.00 0.00 WT1 O ATOM 24185 H1 TIP3 8303 21.984 67.562 28.308 1.00 0.00 WT1 H ATOM 24186 H2 TIP3 8303 22.831 68.745 28.726 1.00 0.00 WT1 H ATOM 24187 OH2 TIP3 8304 43.681 30.555 38.105 1.00 0.00 WT1 O ATOM 24188 H1 TIP3 8304 43.699 29.901 37.407 1.00 0.00 WT1 H ATOM 24189 H2 TIP3 8304 43.951 31.369 37.678 1.00 0.00 WT1 H ATOM 24190 OH2 TIP3 8305 73.562 60.498 23.894 1.00 0.00 WT1 O ATOM 24191 H1 TIP3 8305 72.997 60.058 24.529 1.00 0.00 WT1 H ATOM 24192 H2 TIP3 8305 74.132 59.806 23.560 1.00 0.00 WT1 H ATOM 24193 OH2 TIP3 8306 77.079 61.525 43.295 1.00 0.00 WT1 O ATOM 24194 H1 TIP3 8306 77.307 61.961 44.116 1.00 0.00 WT1 H ATOM 24195 H2 TIP3 8306 76.415 60.881 43.541 1.00 0.00 WT1 H ATOM 24196 OH2 TIP3 8307 80.452 59.773 65.473 1.00 0.00 WT1 O ATOM 24197 H1 TIP3 8307 80.656 58.988 65.980 1.00 0.00 WT1 H ATOM 24198 H2 TIP3 8307 79.500 59.858 65.535 1.00 0.00 WT1 H ATOM 24199 OH2 TIP3 8308 38.041 69.580 -6.216 1.00 0.00 WT1 O ATOM 24200 H1 TIP3 8308 37.369 70.262 -6.198 1.00 0.00 WT1 H ATOM 24201 H2 TIP3 8308 38.506 69.680 -5.385 1.00 0.00 WT1 H ATOM 24202 OH2 TIP3 8309 28.590 2.306 -15.629 1.00 0.00 WT1 O ATOM 24203 H1 TIP3 8309 27.707 2.611 -15.419 1.00 0.00 WT1 H ATOM 24204 H2 TIP3 8309 29.150 3.067 -15.473 1.00 0.00 WT1 H ATOM 24205 OH2 TIP3 8310 44.533 29.851 -0.156 1.00 0.00 WT1 O ATOM 24206 H1 TIP3 8310 44.838 30.526 -0.762 1.00 0.00 WT1 H ATOM 24207 H2 TIP3 8310 44.545 30.276 0.702 1.00 0.00 WT1 H ATOM 24208 OH2 TIP3 8311 88.863 37.067 57.400 1.00 0.00 WT1 O ATOM 24209 H1 TIP3 8311 88.219 37.493 56.835 1.00 0.00 WT1 H ATOM 24210 H2 TIP3 8311 88.852 36.149 57.126 1.00 0.00 WT1 H ATOM 24211 OH2 TIP3 8312 69.466 23.039 -18.421 1.00 0.00 WT1 O ATOM 24212 H1 TIP3 8312 70.366 22.914 -18.722 1.00 0.00 WT1 H ATOM 24213 H2 TIP3 8312 69.032 22.207 -18.610 1.00 0.00 WT1 H ATOM 24214 OH2 TIP3 8313 54.802 70.021 24.787 1.00 0.00 WT1 O ATOM 24215 H1 TIP3 8313 54.330 69.211 24.593 1.00 0.00 WT1 H ATOM 24216 H2 TIP3 8313 54.584 70.606 24.062 1.00 0.00 WT1 H ATOM 24217 OH2 TIP3 8314 68.092 83.652 33.971 1.00 0.00 WT1 O ATOM 24218 H1 TIP3 8314 67.626 83.827 34.789 1.00 0.00 WT1 H ATOM 24219 H2 TIP3 8314 67.690 84.244 33.335 1.00 0.00 WT1 H ATOM 24220 OH2 TIP3 8315 70.386 79.407 53.748 1.00 0.00 WT1 O ATOM 24221 H1 TIP3 8315 69.616 79.064 53.295 1.00 0.00 WT1 H ATOM 24222 H2 TIP3 8315 70.036 80.055 54.359 1.00 0.00 WT1 H ATOM 24223 OH2 TIP3 8316 40.309 33.087 36.487 1.00 0.00 WT1 O ATOM 24224 H1 TIP3 8316 40.981 33.763 36.406 1.00 0.00 WT1 H ATOM 24225 H2 TIP3 8316 39.728 33.234 35.741 1.00 0.00 WT1 H ATOM 24226 OH2 TIP3 8317 80.936 24.605 -8.541 1.00 0.00 WT1 O ATOM 24227 H1 TIP3 8317 80.241 24.972 -7.995 1.00 0.00 WT1 H ATOM 24228 H2 TIP3 8317 81.683 24.512 -7.949 1.00 0.00 WT1 H ATOM 24229 OH2 TIP3 8319 31.435 6.730 35.414 1.00 0.00 WT1 O ATOM 24230 H1 TIP3 8319 32.022 6.634 36.163 1.00 0.00 WT1 H ATOM 24231 H2 TIP3 8319 30.777 6.046 35.535 1.00 0.00 WT1 H ATOM 24232 OH2 TIP3 8321 40.675 10.695 -10.662 1.00 0.00 WT1 O ATOM 24233 H1 TIP3 8321 40.228 10.675 -11.508 1.00 0.00 WT1 H ATOM 24234 H2 TIP3 8321 41.110 11.548 -10.641 1.00 0.00 WT1 H ATOM 24235 OH2 TIP3 8322 45.406 71.673 55.880 1.00 0.00 WT1 O ATOM 24236 H1 TIP3 8322 45.239 72.540 55.510 1.00 0.00 WT1 H ATOM 24237 H2 TIP3 8322 45.653 71.135 55.129 1.00 0.00 WT1 H ATOM 24238 OH2 TIP3 8323 42.205 37.517 -3.396 1.00 0.00 WT1 O ATOM 24239 H1 TIP3 8323 42.336 38.459 -3.286 1.00 0.00 WT1 H ATOM 24240 H2 TIP3 8323 42.008 37.410 -4.327 1.00 0.00 WT1 H ATOM 24241 OH2 TIP3 8324 28.486 12.215 30.191 1.00 0.00 WT1 O ATOM 24242 H1 TIP3 8324 29.297 12.564 30.562 1.00 0.00 WT1 H ATOM 24243 H2 TIP3 8324 27.809 12.461 30.822 1.00 0.00 WT1 H ATOM 24244 OH2 TIP3 8325 81.264 79.603 7.135 1.00 0.00 WT1 O ATOM 24245 H1 TIP3 8325 80.495 79.299 7.617 1.00 0.00 WT1 H ATOM 24246 H2 TIP3 8325 81.422 78.921 6.482 1.00 0.00 WT1 H ATOM 24247 OH2 TIP3 8326 61.677 71.692 -0.248 1.00 0.00 WT1 O ATOM 24248 H1 TIP3 8326 61.245 70.954 0.183 1.00 0.00 WT1 H ATOM 24249 H2 TIP3 8326 61.165 72.457 0.016 1.00 0.00 WT1 H ATOM 24250 OH2 TIP3 8327 72.752 53.907 58.263 1.00 0.00 WT1 O ATOM 24251 H1 TIP3 8327 72.371 54.112 57.410 1.00 0.00 WT1 H ATOM 24252 H2 TIP3 8327 72.140 54.281 58.896 1.00 0.00 WT1 H ATOM 24253 OH2 TIP3 8328 26.680 1.638 36.171 1.00 0.00 WT1 O ATOM 24254 H1 TIP3 8328 26.208 0.889 36.535 1.00 0.00 WT1 H ATOM 24255 H2 TIP3 8328 27.092 2.053 36.929 1.00 0.00 WT1 H ATOM 24256 OH2 TIP3 8329 33.293 21.395 44.159 1.00 0.00 WT1 O ATOM 24257 H1 TIP3 8329 33.127 21.674 45.060 1.00 0.00 WT1 H ATOM 24258 H2 TIP3 8329 34.188 21.053 44.175 1.00 0.00 WT1 H ATOM 24259 OH2 TIP3 8330 24.414 68.290 16.656 1.00 0.00 WT1 O ATOM 24260 H1 TIP3 8330 23.822 68.312 17.407 1.00 0.00 WT1 H ATOM 24261 H2 TIP3 8330 25.282 68.153 17.037 1.00 0.00 WT1 H ATOM 24262 OH2 TIP3 8331 44.288 57.112 57.746 1.00 0.00 WT1 O ATOM 24263 H1 TIP3 8331 43.459 57.440 58.094 1.00 0.00 WT1 H ATOM 24264 H2 TIP3 8331 44.724 56.714 58.499 1.00 0.00 WT1 H ATOM 24265 OH2 TIP3 8332 27.200 86.700 65.399 1.00 0.00 WT1 O ATOM 24266 H1 TIP3 8332 27.049 86.393 66.293 1.00 0.00 WT1 H ATOM 24267 H2 TIP3 8332 27.917 87.330 65.480 1.00 0.00 WT1 H ATOM 24268 OH2 TIP3 8334 45.225 34.003 16.766 1.00 0.00 WT1 O ATOM 24269 H1 TIP3 8334 44.479 34.568 16.966 1.00 0.00 WT1 H ATOM 24270 H2 TIP3 8334 44.950 33.504 15.996 1.00 0.00 WT1 H ATOM 24271 OH2 TIP3 8335 33.582 72.495 42.526 1.00 0.00 WT1 O ATOM 24272 H1 TIP3 8335 33.906 72.536 43.426 1.00 0.00 WT1 H ATOM 24273 H2 TIP3 8335 34.150 71.856 42.096 1.00 0.00 WT1 H ATOM 24274 OH2 TIP3 8336 62.703 41.973 32.306 1.00 0.00 WT1 O ATOM 24275 H1 TIP3 8336 62.129 41.208 32.340 1.00 0.00 WT1 H ATOM 24276 H2 TIP3 8336 62.196 42.631 31.830 1.00 0.00 WT1 H ATOM 24277 OH2 TIP3 8338 20.107 51.756 51.765 1.00 0.00 WT1 O ATOM 24278 H1 TIP3 8338 20.380 52.232 52.549 1.00 0.00 WT1 H ATOM 24279 H2 TIP3 8338 20.901 51.693 51.234 1.00 0.00 WT1 H ATOM 24280 OH2 TIP3 8339 41.673 7.394 35.136 1.00 0.00 WT1 O ATOM 24281 H1 TIP3 8339 41.875 8.038 34.457 1.00 0.00 WT1 H ATOM 24282 H2 TIP3 8339 42.473 7.336 35.658 1.00 0.00 WT1 H ATOM 24283 OH2 TIP3 8341 64.663 30.042 55.314 1.00 0.00 WT1 O ATOM 24284 H1 TIP3 8341 64.251 30.716 55.854 1.00 0.00 WT1 H ATOM 24285 H2 TIP3 8341 63.969 29.751 54.723 1.00 0.00 WT1 H ATOM 24286 OH2 TIP3 8342 28.284 25.361 51.792 1.00 0.00 WT1 O ATOM 24287 H1 TIP3 8342 28.262 25.310 50.836 1.00 0.00 WT1 H ATOM 24288 H2 TIP3 8342 27.400 25.631 52.038 1.00 0.00 WT1 H ATOM 24289 OH2 TIP3 8344 79.536 74.005 8.352 1.00 0.00 WT1 O ATOM 24290 H1 TIP3 8344 79.998 73.938 9.187 1.00 0.00 WT1 H ATOM 24291 H2 TIP3 8344 78.675 74.356 8.581 1.00 0.00 WT1 H ATOM 24292 OH2 TIP3 8345 87.987 30.741 6.902 1.00 0.00 WT1 O ATOM 24293 H1 TIP3 8345 88.361 31.621 6.878 1.00 0.00 WT1 H ATOM 24294 H2 TIP3 8345 88.626 30.221 7.389 1.00 0.00 WT1 H ATOM 24295 OH2 TIP3 8346 42.048 67.161 59.803 1.00 0.00 WT1 O ATOM 24296 H1 TIP3 8346 42.575 67.839 59.380 1.00 0.00 WT1 H ATOM 24297 H2 TIP3 8346 41.509 67.636 60.436 1.00 0.00 WT1 H ATOM 24298 OH2 TIP3 8347 76.772 59.653 16.400 1.00 0.00 WT1 O ATOM 24299 H1 TIP3 8347 75.958 60.009 16.044 1.00 0.00 WT1 H ATOM 24300 H2 TIP3 8347 76.706 59.800 17.343 1.00 0.00 WT1 H ATOM 24301 OH2 TIP3 8348 21.357 1.589 0.597 1.00 0.00 WT1 O ATOM 24302 H1 TIP3 8348 21.887 2.230 1.071 1.00 0.00 WT1 H ATOM 24303 H2 TIP3 8348 21.530 0.759 1.042 1.00 0.00 WT1 H ATOM 24304 OH2 TIP3 8349 81.906 94.629 -4.889 1.00 0.00 WT1 O ATOM 24305 H1 TIP3 8349 81.426 94.265 -4.146 1.00 0.00 WT1 H ATOM 24306 H2 TIP3 8349 81.481 95.470 -5.060 1.00 0.00 WT1 H ATOM 24307 OH2 TIP3 8350 38.766 73.940 9.735 1.00 0.00 WT1 O ATOM 24308 H1 TIP3 8350 38.710 73.104 9.273 1.00 0.00 WT1 H ATOM 24309 H2 TIP3 8350 39.568 73.875 10.254 1.00 0.00 WT1 H ATOM 24310 OH2 TIP3 8351 42.215 30.054 30.482 1.00 0.00 WT1 O ATOM 24311 H1 TIP3 8351 42.302 29.818 31.405 1.00 0.00 WT1 H ATOM 24312 H2 TIP3 8351 41.900 30.958 30.493 1.00 0.00 WT1 H ATOM 24313 OH2 TIP3 8352 30.472 45.094 54.382 1.00 0.00 WT1 O ATOM 24314 H1 TIP3 8352 30.811 45.106 53.487 1.00 0.00 WT1 H ATOM 24315 H2 TIP3 8352 31.066 45.664 54.871 1.00 0.00 WT1 H ATOM 24316 OH2 TIP3 8353 87.703 28.486 33.929 1.00 0.00 WT1 O ATOM 24317 H1 TIP3 8353 88.483 28.978 33.673 1.00 0.00 WT1 H ATOM 24318 H2 TIP3 8353 87.226 28.348 33.111 1.00 0.00 WT1 H ATOM 24319 OH2 TIP3 8354 53.597 40.898 -20.075 1.00 0.00 WT1 O ATOM 24320 H1 TIP3 8354 53.538 40.067 -20.546 1.00 0.00 WT1 H ATOM 24321 H2 TIP3 8354 53.166 40.730 -19.237 1.00 0.00 WT1 H ATOM 24322 OH2 TIP3 8355 65.674 12.673 -8.519 1.00 0.00 WT1 O ATOM 24323 H1 TIP3 8355 66.572 13.000 -8.466 1.00 0.00 WT1 H ATOM 24324 H2 TIP3 8355 65.213 13.119 -7.809 1.00 0.00 WT1 H ATOM 24325 OH2 TIP3 8356 56.948 4.314 9.204 1.00 0.00 WT1 O ATOM 24326 H1 TIP3 8356 57.646 4.363 9.857 1.00 0.00 WT1 H ATOM 24327 H2 TIP3 8356 56.549 5.184 9.214 1.00 0.00 WT1 H ATOM 24328 OH2 TIP3 8357 30.655 86.002 67.092 1.00 0.00 WT1 O ATOM 24329 H1 TIP3 8357 29.761 85.747 67.320 1.00 0.00 WT1 H ATOM 24330 H2 TIP3 8357 30.853 86.732 67.679 1.00 0.00 WT1 H ATOM 24331 OH2 TIP3 8358 86.160 37.641 -17.329 1.00 0.00 WT1 O ATOM 24332 H1 TIP3 8358 86.731 37.214 -16.690 1.00 0.00 WT1 H ATOM 24333 H2 TIP3 8358 85.319 37.726 -16.880 1.00 0.00 WT1 H ATOM 24334 OH2 TIP3 8359 69.057 90.203 35.462 1.00 0.00 WT1 O ATOM 24335 H1 TIP3 8359 69.385 89.486 34.920 1.00 0.00 WT1 H ATOM 24336 H2 TIP3 8359 68.244 89.867 35.839 1.00 0.00 WT1 H ATOM 24337 OH2 TIP3 8360 39.101 4.908 56.979 1.00 0.00 WT1 O ATOM 24338 H1 TIP3 8360 38.526 4.219 57.314 1.00 0.00 WT1 H ATOM 24339 H2 TIP3 8360 39.545 5.248 57.756 1.00 0.00 WT1 H ATOM 24340 OH2 TIP3 8361 58.963 73.223 27.078 1.00 0.00 WT1 O ATOM 24341 H1 TIP3 8361 59.063 72.840 26.207 1.00 0.00 WT1 H ATOM 24342 H2 TIP3 8361 58.138 72.865 27.404 1.00 0.00 WT1 H ATOM 24343 OH2 TIP3 8362 68.989 36.326 48.423 1.00 0.00 WT1 O ATOM 24344 H1 TIP3 8362 68.411 36.743 47.784 1.00 0.00 WT1 H ATOM 24345 H2 TIP3 8362 68.863 36.832 49.226 1.00 0.00 WT1 H ATOM 24346 OH2 TIP3 8363 82.801 79.376 49.270 1.00 0.00 WT1 O ATOM 24347 H1 TIP3 8363 83.585 79.862 49.013 1.00 0.00 WT1 H ATOM 24348 H2 TIP3 8363 82.248 79.383 48.489 1.00 0.00 WT1 H ATOM 24349 OH2 TIP3 8364 22.845 92.150 2.357 1.00 0.00 WT1 O ATOM 24350 H1 TIP3 8364 22.813 91.235 2.638 1.00 0.00 WT1 H ATOM 24351 H2 TIP3 8364 23.287 92.605 3.074 1.00 0.00 WT1 H ATOM 24352 OH2 TIP3 8365 79.810 32.893 23.524 1.00 0.00 WT1 O ATOM 24353 H1 TIP3 8365 78.992 32.759 23.046 1.00 0.00 WT1 H ATOM 24354 H2 TIP3 8365 79.867 33.842 23.641 1.00 0.00 WT1 H ATOM 24355 OH2 TIP3 8366 68.848 39.111 5.527 1.00 0.00 WT1 O ATOM 24356 H1 TIP3 8366 69.567 39.383 6.098 1.00 0.00 WT1 H ATOM 24357 H2 TIP3 8366 68.234 39.845 5.549 1.00 0.00 WT1 H ATOM 24358 OH2 TIP3 8367 51.066 33.067 1.933 1.00 0.00 WT1 O ATOM 24359 H1 TIP3 8367 50.619 32.686 2.689 1.00 0.00 WT1 H ATOM 24360 H2 TIP3 8367 51.154 33.995 2.149 1.00 0.00 WT1 H ATOM 24361 OH2 TIP3 8368 87.280 87.718 -9.608 1.00 0.00 WT1 O ATOM 24362 H1 TIP3 8368 88.045 87.560 -9.055 1.00 0.00 WT1 H ATOM 24363 H2 TIP3 8368 87.567 88.389 -10.228 1.00 0.00 WT1 H ATOM 24364 OH2 TIP3 8369 69.078 52.203 6.780 1.00 0.00 WT1 O ATOM 24365 H1 TIP3 8369 68.357 51.628 6.524 1.00 0.00 WT1 H ATOM 24366 H2 TIP3 8369 68.957 52.336 7.720 1.00 0.00 WT1 H ATOM 24367 OH2 TIP3 8370 72.071 16.366 7.206 1.00 0.00 WT1 O ATOM 24368 H1 TIP3 8370 72.342 16.945 6.494 1.00 0.00 WT1 H ATOM 24369 H2 TIP3 8370 72.522 15.540 7.028 1.00 0.00 WT1 H ATOM 24370 OH2 TIP3 8371 32.737 87.562 32.363 1.00 0.00 WT1 O ATOM 24371 H1 TIP3 8371 33.073 88.262 32.923 1.00 0.00 WT1 H ATOM 24372 H2 TIP3 8371 32.013 87.964 31.884 1.00 0.00 WT1 H ATOM 24373 OH2 TIP3 8372 37.694 79.794 51.425 1.00 0.00 WT1 O ATOM 24374 H1 TIP3 8372 37.763 80.701 51.126 1.00 0.00 WT1 H ATOM 24375 H2 TIP3 8372 36.755 79.607 51.409 1.00 0.00 WT1 H ATOM 24376 OH2 TIP3 8373 51.883 78.510 40.299 1.00 0.00 WT1 O ATOM 24377 H1 TIP3 8373 52.098 78.006 41.083 1.00 0.00 WT1 H ATOM 24378 H2 TIP3 8373 51.840 79.417 40.601 1.00 0.00 WT1 H ATOM 24379 OH2 TIP3 8374 77.689 23.100 -10.262 1.00 0.00 WT1 O ATOM 24380 H1 TIP3 8374 76.849 22.711 -10.506 1.00 0.00 WT1 H ATOM 24381 H2 TIP3 8374 77.475 24.002 -10.024 1.00 0.00 WT1 H ATOM 24382 OH2 TIP3 8375 81.012 74.596 -8.094 1.00 0.00 WT1 O ATOM 24383 H1 TIP3 8375 81.766 75.157 -7.917 1.00 0.00 WT1 H ATOM 24384 H2 TIP3 8375 80.259 75.101 -7.788 1.00 0.00 WT1 H ATOM 24385 OH2 TIP3 8376 83.528 83.496 -19.020 1.00 0.00 WT1 O ATOM 24386 H1 TIP3 8376 84.011 82.899 -18.449 1.00 0.00 WT1 H ATOM 24387 H2 TIP3 8376 82.724 83.692 -18.538 1.00 0.00 WT1 H ATOM 24388 OH2 TIP3 8377 62.593 18.587 20.538 1.00 0.00 WT1 O ATOM 24389 H1 TIP3 8377 63.128 18.971 21.232 1.00 0.00 WT1 H ATOM 24390 H2 TIP3 8377 61.693 18.812 20.776 1.00 0.00 WT1 H ATOM 24391 OH2 TIP3 8378 43.420 14.054 -8.036 1.00 0.00 WT1 O ATOM 24392 H1 TIP3 8378 43.579 14.656 -8.764 1.00 0.00 WT1 H ATOM 24393 H2 TIP3 8378 43.493 14.601 -7.254 1.00 0.00 WT1 H ATOM 24394 OH2 TIP3 8379 71.770 55.933 2.886 1.00 0.00 WT1 O ATOM 24395 H1 TIP3 8379 72.530 56.379 3.261 1.00 0.00 WT1 H ATOM 24396 H2 TIP3 8379 71.923 55.006 3.070 1.00 0.00 WT1 H ATOM 24397 OH2 TIP3 8380 22.987 15.359 -12.756 1.00 0.00 WT1 O ATOM 24398 H1 TIP3 8380 22.993 16.085 -12.131 1.00 0.00 WT1 H ATOM 24399 H2 TIP3 8380 23.730 15.535 -13.334 1.00 0.00 WT1 H ATOM 24400 OH2 TIP3 8381 83.602 62.209 -15.954 1.00 0.00 WT1 O ATOM 24401 H1 TIP3 8381 84.425 61.874 -15.600 1.00 0.00 WT1 H ATOM 24402 H2 TIP3 8381 82.973 61.503 -15.809 1.00 0.00 WT1 H ATOM 24403 OH2 TIP3 8382 43.896 90.316 7.356 1.00 0.00 WT1 O ATOM 24404 H1 TIP3 8382 43.395 90.618 8.113 1.00 0.00 WT1 H ATOM 24405 H2 TIP3 8382 43.550 89.443 7.172 1.00 0.00 WT1 H ATOM 24406 OH2 TIP3 8383 82.146 7.916 45.321 1.00 0.00 WT1 O ATOM 24407 H1 TIP3 8383 81.589 7.949 46.099 1.00 0.00 WT1 H ATOM 24408 H2 TIP3 8383 82.691 7.140 45.450 1.00 0.00 WT1 H ATOM 24409 OH2 TIP3 8384 71.311 81.883 22.640 1.00 0.00 WT1 O ATOM 24410 H1 TIP3 8384 71.247 81.831 21.687 1.00 0.00 WT1 H ATOM 24411 H2 TIP3 8384 72.224 82.119 22.806 1.00 0.00 WT1 H ATOM 24412 OH2 TIP3 8385 25.242 3.373 42.479 1.00 0.00 WT1 O ATOM 24413 H1 TIP3 8385 25.515 3.418 43.396 1.00 0.00 WT1 H ATOM 24414 H2 TIP3 8385 25.194 2.436 42.289 1.00 0.00 WT1 H ATOM 24415 OH2 TIP3 8386 24.521 82.387 28.639 1.00 0.00 WT1 O ATOM 24416 H1 TIP3 8386 25.210 83.008 28.403 1.00 0.00 WT1 H ATOM 24417 H2 TIP3 8386 24.058 82.218 27.818 1.00 0.00 WT1 H ATOM 24418 OH2 TIP3 8387 22.839 82.791 -16.364 1.00 0.00 WT1 O ATOM 24419 H1 TIP3 8387 22.052 82.247 -16.347 1.00 0.00 WT1 H ATOM 24420 H2 TIP3 8387 23.265 82.622 -15.523 1.00 0.00 WT1 H ATOM 24421 OH2 TIP3 8388 50.318 23.884 5.814 1.00 0.00 WT1 O ATOM 24422 H1 TIP3 8388 51.137 24.342 6.005 1.00 0.00 WT1 H ATOM 24423 H2 TIP3 8388 49.652 24.370 6.301 1.00 0.00 WT1 H ATOM 24424 OH2 TIP3 8389 28.489 88.691 38.200 1.00 0.00 WT1 O ATOM 24425 H1 TIP3 8389 27.589 88.370 38.259 1.00 0.00 WT1 H ATOM 24426 H2 TIP3 8389 29.002 88.065 38.710 1.00 0.00 WT1 H ATOM 24427 OH2 TIP3 8390 52.027 69.653 63.577 1.00 0.00 WT1 O ATOM 24428 H1 TIP3 8390 51.324 69.651 64.227 1.00 0.00 WT1 H ATOM 24429 H2 TIP3 8390 52.167 70.579 63.378 1.00 0.00 WT1 H ATOM 24430 OH2 TIP3 8391 47.866 15.021 39.228 1.00 0.00 WT1 O ATOM 24431 H1 TIP3 8391 47.003 15.432 39.280 1.00 0.00 WT1 H ATOM 24432 H2 TIP3 8391 48.355 15.394 39.962 1.00 0.00 WT1 H ATOM 24433 OH2 TIP3 8392 72.402 6.707 12.734 1.00 0.00 WT1 O ATOM 24434 H1 TIP3 8392 73.308 6.999 12.639 1.00 0.00 WT1 H ATOM 24435 H2 TIP3 8392 72.440 5.760 12.598 1.00 0.00 WT1 H ATOM 24436 OH2 TIP3 8393 71.571 27.931 50.709 1.00 0.00 WT1 O ATOM 24437 H1 TIP3 8393 71.595 27.884 49.753 1.00 0.00 WT1 H ATOM 24438 H2 TIP3 8393 70.777 28.428 50.905 1.00 0.00 WT1 H ATOM 24439 OH2 TIP3 8394 29.676 65.455 21.145 1.00 0.00 WT1 O ATOM 24440 H1 TIP3 8394 29.467 66.261 20.673 1.00 0.00 WT1 H ATOM 24441 H2 TIP3 8394 30.468 65.126 20.721 1.00 0.00 WT1 H ATOM 24442 OH2 TIP3 8396 66.152 90.022 6.769 1.00 0.00 WT1 O ATOM 24443 H1 TIP3 8396 65.633 89.358 7.223 1.00 0.00 WT1 H ATOM 24444 H2 TIP3 8396 65.535 90.439 6.167 1.00 0.00 WT1 H ATOM 24445 OH2 TIP3 8397 85.113 85.505 49.591 1.00 0.00 WT1 O ATOM 24446 H1 TIP3 8397 85.185 85.907 48.725 1.00 0.00 WT1 H ATOM 24447 H2 TIP3 8397 84.171 85.453 49.754 1.00 0.00 WT1 H ATOM 24448 OH2 TIP3 8398 45.669 54.301 41.138 1.00 0.00 WT1 O ATOM 24449 H1 TIP3 8398 45.641 55.243 41.303 1.00 0.00 WT1 H ATOM 24450 H2 TIP3 8398 46.601 54.100 41.049 1.00 0.00 WT1 H ATOM 24451 OH2 TIP3 8399 55.871 87.058 35.686 1.00 0.00 WT1 O ATOM 24452 H1 TIP3 8399 56.263 86.384 36.241 1.00 0.00 WT1 H ATOM 24453 H2 TIP3 8399 56.597 87.383 35.154 1.00 0.00 WT1 H ATOM 24454 OH2 TIP3 8400 57.582 12.306 14.186 1.00 0.00 WT1 O ATOM 24455 H1 TIP3 8400 58.009 11.506 13.879 1.00 0.00 WT1 H ATOM 24456 H2 TIP3 8400 58.037 12.524 14.999 1.00 0.00 WT1 H ATOM 24457 OH2 TIP3 8401 89.983 49.274 52.885 1.00 0.00 WT1 O ATOM 24458 H1 TIP3 8401 90.518 49.130 52.104 1.00 0.00 WT1 H ATOM 24459 H2 TIP3 8401 89.958 50.225 52.987 1.00 0.00 WT1 H ATOM 24460 OH2 TIP3 8402 37.503 88.910 62.526 1.00 0.00 WT1 O ATOM 24461 H1 TIP3 8402 37.411 88.058 62.954 1.00 0.00 WT1 H ATOM 24462 H2 TIP3 8402 36.780 88.943 61.899 1.00 0.00 WT1 H ATOM 24463 OH2 TIP3 8403 58.268 34.041 -9.220 1.00 0.00 WT1 O ATOM 24464 H1 TIP3 8403 58.662 34.378 -8.416 1.00 0.00 WT1 H ATOM 24465 H2 TIP3 8403 58.089 33.120 -9.033 1.00 0.00 WT1 H ATOM 24466 OH2 TIP3 8404 78.847 49.840 37.586 1.00 0.00 WT1 O ATOM 24467 H1 TIP3 8404 79.647 50.365 37.559 1.00 0.00 WT1 H ATOM 24468 H2 TIP3 8404 78.225 50.378 38.076 1.00 0.00 WT1 H ATOM 24469 OH2 TIP3 8405 31.697 21.431 35.740 1.00 0.00 WT1 O ATOM 24470 H1 TIP3 8405 32.588 21.364 35.397 1.00 0.00 WT1 H ATOM 24471 H2 TIP3 8405 31.344 22.224 35.335 1.00 0.00 WT1 H ATOM 24472 OH2 TIP3 8406 79.346 17.993 -1.039 1.00 0.00 WT1 O ATOM 24473 H1 TIP3 8406 80.233 18.075 -0.688 1.00 0.00 WT1 H ATOM 24474 H2 TIP3 8406 78.785 17.940 -0.266 1.00 0.00 WT1 H ATOM 24475 OH2 TIP3 8407 34.248 82.218 3.389 1.00 0.00 WT1 O ATOM 24476 H1 TIP3 8407 34.452 82.965 2.826 1.00 0.00 WT1 H ATOM 24477 H2 TIP3 8407 34.413 81.452 2.840 1.00 0.00 WT1 H ATOM 24478 OH2 TIP3 8408 25.115 32.015 -4.278 1.00 0.00 WT1 O ATOM 24479 H1 TIP3 8408 25.898 32.382 -4.689 1.00 0.00 WT1 H ATOM 24480 H2 TIP3 8408 24.580 31.709 -5.010 1.00 0.00 WT1 H ATOM 24481 OH2 TIP3 8409 28.735 7.539 18.849 1.00 0.00 WT1 O ATOM 24482 H1 TIP3 8409 29.558 7.051 18.879 1.00 0.00 WT1 H ATOM 24483 H2 TIP3 8409 28.749 8.080 19.639 1.00 0.00 WT1 H ATOM 24484 OH2 TIP3 8410 26.033 73.715 -3.435 1.00 0.00 WT1 O ATOM 24485 H1 TIP3 8410 26.592 72.978 -3.187 1.00 0.00 WT1 H ATOM 24486 H2 TIP3 8410 25.554 73.932 -2.636 1.00 0.00 WT1 H ATOM 24487 OH2 TIP3 8411 86.160 7.578 56.990 1.00 0.00 WT1 O ATOM 24488 H1 TIP3 8411 85.272 7.838 56.744 1.00 0.00 WT1 H ATOM 24489 H2 TIP3 8411 86.059 7.161 57.846 1.00 0.00 WT1 H ATOM 24490 OH2 TIP3 8412 26.227 2.289 61.833 1.00 0.00 WT1 O ATOM 24491 H1 TIP3 8412 26.913 2.264 62.500 1.00 0.00 WT1 H ATOM 24492 H2 TIP3 8412 26.567 2.877 61.159 1.00 0.00 WT1 H ATOM 24493 OH2 TIP3 8413 68.219 72.882 16.605 1.00 0.00 WT1 O ATOM 24494 H1 TIP3 8413 68.284 73.440 17.380 1.00 0.00 WT1 H ATOM 24495 H2 TIP3 8413 67.283 72.701 16.517 1.00 0.00 WT1 H ATOM 24496 OH2 TIP3 8414 60.790 16.489 0.184 1.00 0.00 WT1 O ATOM 24497 H1 TIP3 8414 60.553 17.381 0.434 1.00 0.00 WT1 H ATOM 24498 H2 TIP3 8414 61.740 16.451 0.301 1.00 0.00 WT1 H ATOM 24499 OH2 TIP3 8415 55.811 77.392 57.100 1.00 0.00 WT1 O ATOM 24500 H1 TIP3 8415 55.474 78.051 56.493 1.00 0.00 WT1 H ATOM 24501 H2 TIP3 8415 55.245 77.463 57.869 1.00 0.00 WT1 H ATOM 24502 OH2 TIP3 8416 79.111 27.367 21.967 1.00 0.00 WT1 O ATOM 24503 H1 TIP3 8416 79.342 26.443 21.870 1.00 0.00 WT1 H ATOM 24504 H2 TIP3 8416 79.399 27.595 22.851 1.00 0.00 WT1 H ATOM 24505 OH2 TIP3 8417 21.387 2.630 11.064 1.00 0.00 WT1 O ATOM 24506 H1 TIP3 8417 21.905 2.598 11.869 1.00 0.00 WT1 H ATOM 24507 H2 TIP3 8417 20.541 2.984 11.338 1.00 0.00 WT1 H ATOM 24508 OH2 TIP3 8418 79.908 87.708 14.375 1.00 0.00 WT1 O ATOM 24509 H1 TIP3 8418 79.714 88.111 15.221 1.00 0.00 WT1 H ATOM 24510 H2 TIP3 8418 80.513 86.995 14.581 1.00 0.00 WT1 H ATOM 24511 OH2 TIP3 8419 83.241 15.875 -17.522 1.00 0.00 WT1 O ATOM 24512 H1 TIP3 8419 83.900 16.311 -18.062 1.00 0.00 WT1 H ATOM 24513 H2 TIP3 8419 83.173 16.421 -16.739 1.00 0.00 WT1 H ATOM 24514 OH2 TIP3 8420 60.548 36.948 38.647 1.00 0.00 WT1 O ATOM 24515 H1 TIP3 8420 60.217 36.246 38.086 1.00 0.00 WT1 H ATOM 24516 H2 TIP3 8420 59.796 37.526 38.776 1.00 0.00 WT1 H ATOM 24517 OH2 TIP3 8422 73.789 94.195 46.454 1.00 0.00 WT1 O ATOM 24518 H1 TIP3 8422 73.632 93.277 46.674 1.00 0.00 WT1 H ATOM 24519 H2 TIP3 8422 73.293 94.337 45.648 1.00 0.00 WT1 H ATOM 24520 OH2 TIP3 8423 56.950 68.002 49.478 1.00 0.00 WT1 O ATOM 24521 H1 TIP3 8423 57.300 67.550 50.246 1.00 0.00 WT1 H ATOM 24522 H2 TIP3 8423 57.451 68.816 49.431 1.00 0.00 WT1 H ATOM 24523 OH2 TIP3 8424 60.464 30.801 39.576 1.00 0.00 WT1 O ATOM 24524 H1 TIP3 8424 60.313 31.332 38.794 1.00 0.00 WT1 H ATOM 24525 H2 TIP3 8424 60.094 29.945 39.360 1.00 0.00 WT1 H ATOM 24526 OH2 TIP3 8425 51.229 71.455 -19.143 1.00 0.00 WT1 O ATOM 24527 H1 TIP3 8425 51.877 71.844 -18.556 1.00 0.00 WT1 H ATOM 24528 H2 TIP3 8425 50.789 70.792 -18.611 1.00 0.00 WT1 H ATOM 24529 OH2 TIP3 8426 29.578 47.893 18.219 1.00 0.00 WT1 O ATOM 24530 H1 TIP3 8426 29.820 48.317 17.396 1.00 0.00 WT1 H ATOM 24531 H2 TIP3 8426 30.318 48.062 18.802 1.00 0.00 WT1 H ATOM 24532 OH2 TIP3 8427 72.017 42.001 -17.341 1.00 0.00 WT1 O ATOM 24533 H1 TIP3 8427 71.644 42.875 -17.457 1.00 0.00 WT1 H ATOM 24534 H2 TIP3 8427 72.936 42.159 -17.124 1.00 0.00 WT1 H ATOM 24535 OH2 TIP3 8428 67.760 47.285 9.092 1.00 0.00 WT1 O ATOM 24536 H1 TIP3 8428 66.923 47.690 8.865 1.00 0.00 WT1 H ATOM 24537 H2 TIP3 8428 67.540 46.638 9.763 1.00 0.00 WT1 H ATOM 24538 OH2 TIP3 8429 78.281 21.481 -2.437 1.00 0.00 WT1 O ATOM 24539 H1 TIP3 8429 78.517 22.408 -2.471 1.00 0.00 WT1 H ATOM 24540 H2 TIP3 8429 78.061 21.323 -1.519 1.00 0.00 WT1 H ATOM 24541 OH2 TIP3 8430 49.818 38.539 0.736 1.00 0.00 WT1 O ATOM 24542 H1 TIP3 8430 49.280 38.244 1.471 1.00 0.00 WT1 H ATOM 24543 H2 TIP3 8430 50.009 39.456 0.932 1.00 0.00 WT1 H ATOM 24544 OH2 TIP3 8431 65.491 74.980 -4.157 1.00 0.00 WT1 O ATOM 24545 H1 TIP3 8431 64.791 74.339 -4.278 1.00 0.00 WT1 H ATOM 24546 H2 TIP3 8431 65.050 75.828 -4.203 1.00 0.00 WT1 H ATOM 24547 OH2 TIP3 8432 37.249 1.802 8.847 1.00 0.00 WT1 O ATOM 24548 H1 TIP3 8432 37.470 1.249 9.596 1.00 0.00 WT1 H ATOM 24549 H2 TIP3 8432 37.184 2.685 9.212 1.00 0.00 WT1 H ATOM 24550 OH2 TIP3 8433 41.712 25.737 22.920 1.00 0.00 WT1 O ATOM 24551 H1 TIP3 8433 41.362 26.127 22.119 1.00 0.00 WT1 H ATOM 24552 H2 TIP3 8433 42.596 26.096 22.994 1.00 0.00 WT1 H ATOM 24553 OH2 TIP3 8434 42.570 8.524 18.321 1.00 0.00 WT1 O ATOM 24554 H1 TIP3 8434 42.816 7.734 18.802 1.00 0.00 WT1 H ATOM 24555 H2 TIP3 8434 41.872 8.916 18.845 1.00 0.00 WT1 H ATOM 24556 OH2 TIP3 8435 56.981 23.895 66.174 1.00 0.00 WT1 O ATOM 24557 H1 TIP3 8435 57.641 23.469 66.722 1.00 0.00 WT1 H ATOM 24558 H2 TIP3 8435 56.158 23.471 66.416 1.00 0.00 WT1 H ATOM 24559 OH2 TIP3 8436 40.298 10.992 7.389 1.00 0.00 WT1 O ATOM 24560 H1 TIP3 8436 40.827 11.702 7.023 1.00 0.00 WT1 H ATOM 24561 H2 TIP3 8436 39.710 11.425 8.007 1.00 0.00 WT1 H ATOM 24562 OH2 TIP3 8437 23.593 10.206 33.005 1.00 0.00 WT1 O ATOM 24563 H1 TIP3 8437 24.377 10.749 33.088 1.00 0.00 WT1 H ATOM 24564 H2 TIP3 8437 23.814 9.567 32.327 1.00 0.00 WT1 H ATOM 24565 OH2 TIP3 8438 58.769 37.786 52.129 1.00 0.00 WT1 O ATOM 24566 H1 TIP3 8438 58.128 38.224 52.689 1.00 0.00 WT1 H ATOM 24567 H2 TIP3 8438 58.782 38.308 51.327 1.00 0.00 WT1 H ATOM 24568 OH2 TIP3 8439 62.081 25.144 53.332 1.00 0.00 WT1 O ATOM 24569 H1 TIP3 8439 62.335 24.544 52.631 1.00 0.00 WT1 H ATOM 24570 H2 TIP3 8439 61.336 25.628 52.976 1.00 0.00 WT1 H ATOM 24571 OH2 TIP3 8441 75.708 32.021 55.233 1.00 0.00 WT1 O ATOM 24572 H1 TIP3 8441 75.680 31.104 54.959 1.00 0.00 WT1 H ATOM 24573 H2 TIP3 8441 75.442 32.005 56.152 1.00 0.00 WT1 H ATOM 24574 OH2 TIP3 8442 79.278 82.382 64.971 1.00 0.00 WT1 O ATOM 24575 H1 TIP3 8442 79.145 81.453 65.158 1.00 0.00 WT1 H ATOM 24576 H2 TIP3 8442 79.557 82.404 64.055 1.00 0.00 WT1 H ATOM 24577 OH2 TIP3 8443 67.086 49.075 21.763 1.00 0.00 WT1 O ATOM 24578 H1 TIP3 8443 67.008 49.926 21.332 1.00 0.00 WT1 H ATOM 24579 H2 TIP3 8443 66.200 48.714 21.744 1.00 0.00 WT1 H ATOM 24580 OH2 TIP3 8444 38.036 21.114 19.205 1.00 0.00 WT1 O ATOM 24581 H1 TIP3 8444 38.938 21.000 18.903 1.00 0.00 WT1 H ATOM 24582 H2 TIP3 8444 37.502 20.719 18.516 1.00 0.00 WT1 H ATOM 24583 OH2 TIP3 8445 20.641 40.602 16.291 1.00 0.00 WT1 O ATOM 24584 H1 TIP3 8445 21.440 40.289 15.868 1.00 0.00 WT1 H ATOM 24585 H2 TIP3 8445 20.529 40.026 17.047 1.00 0.00 WT1 H ATOM 24586 OH2 TIP3 8446 58.065 10.151 16.357 1.00 0.00 WT1 O ATOM 24587 H1 TIP3 8446 57.922 9.204 16.378 1.00 0.00 WT1 H ATOM 24588 H2 TIP3 8446 59.016 10.250 16.406 1.00 0.00 WT1 H ATOM 24589 OH2 TIP3 8448 25.786 43.236 -5.145 1.00 0.00 WT1 O ATOM 24590 H1 TIP3 8448 25.471 42.332 -5.140 1.00 0.00 WT1 H ATOM 24591 H2 TIP3 8448 25.862 43.470 -4.220 1.00 0.00 WT1 H ATOM 24592 OH2 TIP3 8450 85.285 82.468 -2.634 1.00 0.00 WT1 O ATOM 24593 H1 TIP3 8450 84.980 81.657 -2.227 1.00 0.00 WT1 H ATOM 24594 H2 TIP3 8450 85.940 82.810 -2.026 1.00 0.00 WT1 H ATOM 24595 OH2 TIP3 8451 30.405 90.740 59.850 1.00 0.00 WT1 O ATOM 24596 H1 TIP3 8451 29.920 89.941 60.057 1.00 0.00 WT1 H ATOM 24597 H2 TIP3 8451 29.827 91.451 60.127 1.00 0.00 WT1 H ATOM 24598 OH2 TIP3 8453 27.571 2.814 6.927 1.00 0.00 WT1 O ATOM 24599 H1 TIP3 8453 28.422 2.389 7.035 1.00 0.00 WT1 H ATOM 24600 H2 TIP3 8453 27.319 3.075 7.812 1.00 0.00 WT1 H ATOM 24601 OH2 TIP3 8454 86.752 18.387 9.260 1.00 0.00 WT1 O ATOM 24602 H1 TIP3 8454 86.552 18.470 10.193 1.00 0.00 WT1 H ATOM 24603 H2 TIP3 8454 85.925 18.120 8.860 1.00 0.00 WT1 H ATOM 24604 OH2 TIP3 8455 28.289 45.389 27.125 1.00 0.00 WT1 O ATOM 24605 H1 TIP3 8455 28.591 45.230 28.019 1.00 0.00 WT1 H ATOM 24606 H2 TIP3 8455 28.635 44.653 26.621 1.00 0.00 WT1 H ATOM 24607 OH2 TIP3 8456 43.891 3.354 16.508 1.00 0.00 WT1 O ATOM 24608 H1 TIP3 8456 44.591 3.009 17.062 1.00 0.00 WT1 H ATOM 24609 H2 TIP3 8456 43.156 2.758 16.650 1.00 0.00 WT1 H ATOM 24610 OH2 TIP3 8457 81.751 9.430 -7.058 1.00 0.00 WT1 O ATOM 24611 H1 TIP3 8457 81.423 8.790 -6.426 1.00 0.00 WT1 H ATOM 24612 H2 TIP3 8457 82.280 10.034 -6.536 1.00 0.00 WT1 H ATOM 24613 OH2 TIP3 8458 36.026 78.668 56.540 1.00 0.00 WT1 O ATOM 24614 H1 TIP3 8458 36.641 79.159 57.085 1.00 0.00 WT1 H ATOM 24615 H2 TIP3 8458 35.922 79.203 55.753 1.00 0.00 WT1 H ATOM 24616 OH2 TIP3 8459 62.422 83.572 4.996 1.00 0.00 WT1 O ATOM 24617 H1 TIP3 8459 62.349 82.699 5.382 1.00 0.00 WT1 H ATOM 24618 H2 TIP3 8459 61.664 84.049 5.335 1.00 0.00 WT1 H ATOM 24619 OH2 TIP3 8460 44.567 63.415 43.554 1.00 0.00 WT1 O ATOM 24620 H1 TIP3 8460 44.798 64.198 44.054 1.00 0.00 WT1 H ATOM 24621 H2 TIP3 8460 45.117 62.724 43.924 1.00 0.00 WT1 H ATOM 24622 OH2 TIP3 8461 49.377 94.060 -19.748 1.00 0.00 WT1 O ATOM 24623 H1 TIP3 8461 49.954 93.580 -20.341 1.00 0.00 WT1 H ATOM 24624 H2 TIP3 8461 49.703 94.960 -19.772 1.00 0.00 WT1 H ATOM 24625 OH2 TIP3 8462 24.789 13.490 57.556 1.00 0.00 WT1 O ATOM 24626 H1 TIP3 8462 25.052 13.428 56.637 1.00 0.00 WT1 H ATOM 24627 H2 TIP3 8462 25.614 13.498 58.041 1.00 0.00 WT1 H ATOM 24628 OH2 TIP3 8463 71.102 15.539 35.262 1.00 0.00 WT1 O ATOM 24629 H1 TIP3 8463 71.810 15.330 34.653 1.00 0.00 WT1 H ATOM 24630 H2 TIP3 8463 71.507 15.491 36.128 1.00 0.00 WT1 H ATOM 24631 OH2 TIP3 8464 44.650 86.133 43.300 1.00 0.00 WT1 O ATOM 24632 H1 TIP3 8464 45.399 85.599 43.037 1.00 0.00 WT1 H ATOM 24633 H2 TIP3 8464 44.243 85.642 44.013 1.00 0.00 WT1 H ATOM 24634 OH2 TIP3 8465 68.520 26.404 -7.820 1.00 0.00 WT1 O ATOM 24635 H1 TIP3 8465 67.851 25.873 -8.253 1.00 0.00 WT1 H ATOM 24636 H2 TIP3 8465 68.027 27.087 -7.365 1.00 0.00 WT1 H ATOM 24637 OH2 TIP3 8466 85.369 91.099 52.815 1.00 0.00 WT1 O ATOM 24638 H1 TIP3 8466 85.225 90.897 53.740 1.00 0.00 WT1 H ATOM 24639 H2 TIP3 8466 85.029 91.987 52.708 1.00 0.00 WT1 H ATOM 24640 OH2 TIP3 8467 42.959 6.181 -19.558 1.00 0.00 WT1 O ATOM 24641 H1 TIP3 8467 42.754 6.970 -20.059 1.00 0.00 WT1 H ATOM 24642 H2 TIP3 8467 42.425 5.495 -19.961 1.00 0.00 WT1 H ATOM 24643 OH2 TIP3 8468 28.762 29.132 61.201 1.00 0.00 WT1 O ATOM 24644 H1 TIP3 8468 29.624 28.717 61.204 1.00 0.00 WT1 H ATOM 24645 H2 TIP3 8468 28.878 29.931 61.715 1.00 0.00 WT1 H ATOM 24646 OH2 TIP3 8469 67.334 24.106 29.678 1.00 0.00 WT1 O ATOM 24647 H1 TIP3 8469 66.438 24.226 29.363 1.00 0.00 WT1 H ATOM 24648 H2 TIP3 8469 67.855 24.001 28.882 1.00 0.00 WT1 H ATOM 24649 OH2 TIP3 8470 20.964 44.208 -9.221 1.00 0.00 WT1 O ATOM 24650 H1 TIP3 8470 20.235 44.809 -9.069 1.00 0.00 WT1 H ATOM 24651 H2 TIP3 8470 21.591 44.410 -8.526 1.00 0.00 WT1 H ATOM 24652 OH2 TIP3 8471 25.753 35.791 11.157 1.00 0.00 WT1 O ATOM 24653 H1 TIP3 8471 25.110 36.350 11.593 1.00 0.00 WT1 H ATOM 24654 H2 TIP3 8471 26.493 36.371 10.977 1.00 0.00 WT1 H ATOM 24655 OH2 TIP3 8472 28.908 22.048 -3.698 1.00 0.00 WT1 O ATOM 24656 H1 TIP3 8472 29.801 21.872 -3.993 1.00 0.00 WT1 H ATOM 24657 H2 TIP3 8472 29.008 22.707 -3.011 1.00 0.00 WT1 H ATOM 24658 OH2 TIP3 8473 79.447 32.384 29.309 1.00 0.00 WT1 O ATOM 24659 H1 TIP3 8473 78.499 32.461 29.423 1.00 0.00 WT1 H ATOM 24660 H2 TIP3 8473 79.645 32.948 28.561 1.00 0.00 WT1 H ATOM 24661 OH2 TIP3 8474 31.961 28.692 32.661 1.00 0.00 WT1 O ATOM 24662 H1 TIP3 8474 31.730 29.233 31.905 1.00 0.00 WT1 H ATOM 24663 H2 TIP3 8474 32.802 29.040 32.957 1.00 0.00 WT1 H ATOM 24664 OH2 TIP3 8475 39.871 41.310 1.694 1.00 0.00 WT1 O ATOM 24665 H1 TIP3 8475 40.520 40.606 1.705 1.00 0.00 WT1 H ATOM 24666 H2 TIP3 8475 39.146 40.961 1.175 1.00 0.00 WT1 H ATOM 24667 OH2 TIP3 8476 24.673 30.507 23.900 1.00 0.00 WT1 O ATOM 24668 H1 TIP3 8476 25.341 31.193 23.894 1.00 0.00 WT1 H ATOM 24669 H2 TIP3 8476 23.861 30.960 23.673 1.00 0.00 WT1 H ATOM 24670 OH2 TIP3 8477 23.458 8.184 63.574 1.00 0.00 WT1 O ATOM 24671 H1 TIP3 8477 23.305 7.242 63.651 1.00 0.00 WT1 H ATOM 24672 H2 TIP3 8477 24.378 8.298 63.813 1.00 0.00 WT1 H ATOM 24673 OH2 TIP3 8478 79.391 76.253 46.347 1.00 0.00 WT1 O ATOM 24674 H1 TIP3 8478 80.075 75.839 46.873 1.00 0.00 WT1 H ATOM 24675 H2 TIP3 8478 79.792 76.375 45.486 1.00 0.00 WT1 H ATOM 24676 OH2 TIP3 8479 37.619 18.024 19.174 1.00 0.00 WT1 O ATOM 24677 H1 TIP3 8479 38.546 18.122 18.959 1.00 0.00 WT1 H ATOM 24678 H2 TIP3 8479 37.158 18.429 18.439 1.00 0.00 WT1 H ATOM 24679 OH2 TIP3 8480 87.345 38.921 58.996 1.00 0.00 WT1 O ATOM 24680 H1 TIP3 8480 87.906 38.403 58.419 1.00 0.00 WT1 H ATOM 24681 H2 TIP3 8480 86.528 38.425 59.045 1.00 0.00 WT1 H ATOM 24682 OH2 TIP3 8481 26.782 12.356 27.639 1.00 0.00 WT1 O ATOM 24683 H1 TIP3 8481 26.958 13.116 27.085 1.00 0.00 WT1 H ATOM 24684 H2 TIP3 8481 27.333 12.488 28.411 1.00 0.00 WT1 H ATOM 24685 OH2 TIP3 8482 38.703 5.115 28.248 1.00 0.00 WT1 O ATOM 24686 H1 TIP3 8482 39.356 5.790 28.063 1.00 0.00 WT1 H ATOM 24687 H2 TIP3 8482 39.196 4.412 28.671 1.00 0.00 WT1 H ATOM 24688 OH2 TIP3 8483 80.103 91.981 25.072 1.00 0.00 WT1 O ATOM 24689 H1 TIP3 8483 79.994 91.980 26.023 1.00 0.00 WT1 H ATOM 24690 H2 TIP3 8483 79.210 92.016 24.728 1.00 0.00 WT1 H ATOM 24691 OH2 TIP3 8484 75.848 22.579 45.821 1.00 0.00 WT1 O ATOM 24692 H1 TIP3 8484 76.618 22.974 45.413 1.00 0.00 WT1 H ATOM 24693 H2 TIP3 8484 75.617 21.851 45.243 1.00 0.00 WT1 H ATOM 24694 OH2 TIP3 8485 70.436 27.313 7.687 1.00 0.00 WT1 O ATOM 24695 H1 TIP3 8485 70.051 27.228 6.815 1.00 0.00 WT1 H ATOM 24696 H2 TIP3 8485 70.006 26.634 8.207 1.00 0.00 WT1 H ATOM 24697 OH2 TIP3 8486 25.173 9.985 -5.797 1.00 0.00 WT1 O ATOM 24698 H1 TIP3 8486 24.959 9.999 -4.864 1.00 0.00 WT1 H ATOM 24699 H2 TIP3 8486 25.583 10.834 -5.961 1.00 0.00 WT1 H ATOM 24700 OH2 TIP3 8487 71.712 38.346 32.583 1.00 0.00 WT1 O ATOM 24701 H1 TIP3 8487 71.392 39.142 33.007 1.00 0.00 WT1 H ATOM 24702 H2 TIP3 8487 71.763 38.572 31.654 1.00 0.00 WT1 H ATOM 24703 OH2 TIP3 8488 33.908 60.132 40.833 1.00 0.00 WT1 O ATOM 24704 H1 TIP3 8488 34.489 59.458 41.188 1.00 0.00 WT1 H ATOM 24705 H2 TIP3 8488 34.434 60.573 40.166 1.00 0.00 WT1 H ATOM 24706 OH2 TIP3 8489 32.722 25.791 3.920 1.00 0.00 WT1 O ATOM 24707 H1 TIP3 8489 32.752 25.107 4.588 1.00 0.00 WT1 H ATOM 24708 H2 TIP3 8489 31.831 26.137 3.971 1.00 0.00 WT1 H ATOM 24709 OH2 TIP3 8490 61.649 14.341 -11.774 1.00 0.00 WT1 O ATOM 24710 H1 TIP3 8490 61.055 13.676 -11.426 1.00 0.00 WT1 H ATOM 24711 H2 TIP3 8490 61.851 14.899 -11.023 1.00 0.00 WT1 H ATOM 24712 OH2 TIP3 8491 24.790 96.428 12.074 1.00 0.00 WT1 O ATOM 24713 H1 TIP3 8491 24.026 95.978 11.714 1.00 0.00 WT1 H ATOM 24714 H2 TIP3 8491 24.654 96.411 13.022 1.00 0.00 WT1 H ATOM 24715 OH2 TIP3 8492 74.419 27.389 25.286 1.00 0.00 WT1 O ATOM 24716 H1 TIP3 8492 75.115 27.048 24.724 1.00 0.00 WT1 H ATOM 24717 H2 TIP3 8492 74.478 28.339 25.192 1.00 0.00 WT1 H ATOM 24718 OH2 TIP3 8493 32.230 54.448 -5.977 1.00 0.00 WT1 O ATOM 24719 H1 TIP3 8493 31.873 53.916 -5.266 1.00 0.00 WT1 H ATOM 24720 H2 TIP3 8493 32.614 55.208 -5.539 1.00 0.00 WT1 H ATOM 24721 OH2 TIP3 8494 58.069 11.762 19.058 1.00 0.00 WT1 O ATOM 24722 H1 TIP3 8494 57.855 11.862 18.131 1.00 0.00 WT1 H ATOM 24723 H2 TIP3 8494 57.855 12.609 19.448 1.00 0.00 WT1 H ATOM 24724 OH2 TIP3 8495 46.130 93.088 -11.188 1.00 0.00 WT1 O ATOM 24725 H1 TIP3 8495 45.446 93.733 -11.369 1.00 0.00 WT1 H ATOM 24726 H2 TIP3 8495 45.956 92.798 -10.292 1.00 0.00 WT1 H ATOM 24727 OH2 TIP3 8496 21.080 8.736 59.608 1.00 0.00 WT1 O ATOM 24728 H1 TIP3 8496 21.301 7.884 59.230 1.00 0.00 WT1 H ATOM 24729 H2 TIP3 8496 21.522 9.370 59.044 1.00 0.00 WT1 H ATOM 24730 OH2 TIP3 8497 21.851 58.313 -2.881 1.00 0.00 WT1 O ATOM 24731 H1 TIP3 8497 22.163 57.519 -2.448 1.00 0.00 WT1 H ATOM 24732 H2 TIP3 8497 22.638 58.846 -3.001 1.00 0.00 WT1 H ATOM 24733 OH2 TIP3 8498 54.540 69.074 -5.493 1.00 0.00 WT1 O ATOM 24734 H1 TIP3 8498 54.399 68.644 -4.649 1.00 0.00 WT1 H ATOM 24735 H2 TIP3 8498 55.250 69.694 -5.330 1.00 0.00 WT1 H ATOM 24736 OH2 TIP3 8499 26.212 69.192 -3.754 1.00 0.00 WT1 O ATOM 24737 H1 TIP3 8499 26.283 68.243 -3.656 1.00 0.00 WT1 H ATOM 24738 H2 TIP3 8499 26.459 69.541 -2.897 1.00 0.00 WT1 H ATOM 24739 OH2 TIP3 8501 53.376 47.154 60.090 1.00 0.00 WT1 O ATOM 24740 H1 TIP3 8501 53.901 47.413 60.848 1.00 0.00 WT1 H ATOM 24741 H2 TIP3 8501 53.067 47.981 59.719 1.00 0.00 WT1 H ATOM 24742 OH2 TIP3 8502 32.463 18.623 45.236 1.00 0.00 WT1 O ATOM 24743 H1 TIP3 8502 32.090 19.477 45.458 1.00 0.00 WT1 H ATOM 24744 H2 TIP3 8502 31.746 18.150 44.813 1.00 0.00 WT1 H ATOM 24745 OH2 TIP3 8503 39.024 25.011 12.002 1.00 0.00 WT1 O ATOM 24746 H1 TIP3 8503 39.847 24.896 12.477 1.00 0.00 WT1 H ATOM 24747 H2 TIP3 8503 39.035 25.926 11.720 1.00 0.00 WT1 H ATOM 24748 OH2 TIP3 8504 26.366 95.940 24.377 1.00 0.00 WT1 O ATOM 24749 H1 TIP3 8504 26.991 96.379 23.799 1.00 0.00 WT1 H ATOM 24750 H2 TIP3 8504 26.833 95.165 24.690 1.00 0.00 WT1 H ATOM 24751 OH2 TIP3 8505 86.859 87.046 -1.106 1.00 0.00 WT1 O ATOM 24752 H1 TIP3 8505 87.603 87.162 -1.697 1.00 0.00 WT1 H ATOM 24753 H2 TIP3 8505 86.946 87.755 -0.469 1.00 0.00 WT1 H ATOM 24754 OH2 TIP3 8507 69.675 32.072 7.042 1.00 0.00 WT1 O ATOM 24755 H1 TIP3 8507 69.512 31.215 7.436 1.00 0.00 WT1 H ATOM 24756 H2 TIP3 8507 69.367 32.700 7.696 1.00 0.00 WT1 H ATOM 24757 OH2 TIP3 8508 80.196 22.598 51.866 1.00 0.00 WT1 O ATOM 24758 H1 TIP3 8508 79.620 21.867 52.089 1.00 0.00 WT1 H ATOM 24759 H2 TIP3 8508 80.326 22.522 50.921 1.00 0.00 WT1 H ATOM 24760 OH2 TIP3 8509 29.365 2.914 55.570 1.00 0.00 WT1 O ATOM 24761 H1 TIP3 8509 30.219 3.162 55.215 1.00 0.00 WT1 H ATOM 24762 H2 TIP3 8509 29.548 2.161 56.131 1.00 0.00 WT1 H ATOM 24763 OH2 TIP3 8510 47.145 23.684 35.233 1.00 0.00 WT1 O ATOM 24764 H1 TIP3 8510 47.283 23.368 34.340 1.00 0.00 WT1 H ATOM 24765 H2 TIP3 8510 47.994 23.574 35.661 1.00 0.00 WT1 H ATOM 24766 OH2 TIP3 8511 59.025 12.635 -1.218 1.00 0.00 WT1 O ATOM 24767 H1 TIP3 8511 58.688 13.167 -0.497 1.00 0.00 WT1 H ATOM 24768 H2 TIP3 8511 59.393 13.268 -1.833 1.00 0.00 WT1 H ATOM 24769 OH2 TIP3 8512 22.100 72.040 39.828 1.00 0.00 WT1 O ATOM 24770 H1 TIP3 8512 22.924 71.727 39.455 1.00 0.00 WT1 H ATOM 24771 H2 TIP3 8512 22.024 71.580 40.664 1.00 0.00 WT1 H ATOM 24772 OH2 TIP3 8513 62.552 76.978 18.567 1.00 0.00 WT1 O ATOM 24773 H1 TIP3 8513 63.359 76.471 18.656 1.00 0.00 WT1 H ATOM 24774 H2 TIP3 8513 61.912 76.352 18.227 1.00 0.00 WT1 H ATOM 24775 OH2 TIP3 8514 56.755 26.888 0.308 1.00 0.00 WT1 O ATOM 24776 H1 TIP3 8514 55.859 26.578 0.178 1.00 0.00 WT1 H ATOM 24777 H2 TIP3 8514 56.806 27.696 -0.203 1.00 0.00 WT1 H ATOM 24778 OH2 TIP3 8515 86.278 31.135 24.747 1.00 0.00 WT1 O ATOM 24779 H1 TIP3 8515 86.550 31.952 25.164 1.00 0.00 WT1 H ATOM 24780 H2 TIP3 8515 87.069 30.808 24.318 1.00 0.00 WT1 H ATOM 24781 OH2 TIP3 8516 81.948 72.465 16.608 1.00 0.00 WT1 O ATOM 24782 H1 TIP3 8516 81.524 72.798 17.398 1.00 0.00 WT1 H ATOM 24783 H2 TIP3 8516 81.226 72.160 16.059 1.00 0.00 WT1 H ATOM 24784 OH2 TIP3 8517 51.172 15.126 57.899 1.00 0.00 WT1 O ATOM 24785 H1 TIP3 8517 51.455 15.870 58.430 1.00 0.00 WT1 H ATOM 24786 H2 TIP3 8517 50.424 14.763 58.374 1.00 0.00 WT1 H ATOM 24787 OH2 TIP3 8518 76.405 24.909 39.534 1.00 0.00 WT1 O ATOM 24788 H1 TIP3 8518 76.394 25.865 39.584 1.00 0.00 WT1 H ATOM 24789 H2 TIP3 8518 76.991 24.713 38.804 1.00 0.00 WT1 H ATOM 24790 OH2 TIP3 8519 44.916 88.360 29.303 1.00 0.00 WT1 O ATOM 24791 H1 TIP3 8519 45.845 88.564 29.410 1.00 0.00 WT1 H ATOM 24792 H2 TIP3 8519 44.462 89.042 29.798 1.00 0.00 WT1 H ATOM 24793 OH2 TIP3 8520 70.006 48.808 9.422 1.00 0.00 WT1 O ATOM 24794 H1 TIP3 8520 70.584 48.277 9.971 1.00 0.00 WT1 H ATOM 24795 H2 TIP3 8520 69.150 48.386 9.497 1.00 0.00 WT1 H ATOM 24796 OH2 TIP3 8521 63.238 85.674 29.501 1.00 0.00 WT1 O ATOM 24797 H1 TIP3 8521 62.938 85.052 30.163 1.00 0.00 WT1 H ATOM 24798 H2 TIP3 8521 63.871 85.182 28.978 1.00 0.00 WT1 H ATOM 24799 OH2 TIP3 8522 55.218 93.110 63.816 1.00 0.00 WT1 O ATOM 24800 H1 TIP3 8522 56.074 93.509 63.973 1.00 0.00 WT1 H ATOM 24801 H2 TIP3 8522 55.401 92.173 63.738 1.00 0.00 WT1 H ATOM 24802 OH2 TIP3 8523 63.223 23.415 16.966 1.00 0.00 WT1 O ATOM 24803 H1 TIP3 8523 63.453 24.298 17.254 1.00 0.00 WT1 H ATOM 24804 H2 TIP3 8523 62.269 23.380 17.037 1.00 0.00 WT1 H ATOM 24805 OH2 TIP3 8524 45.025 78.834 10.622 1.00 0.00 WT1 O ATOM 24806 H1 TIP3 8524 44.730 77.929 10.519 1.00 0.00 WT1 H ATOM 24807 H2 TIP3 8524 45.911 78.840 10.259 1.00 0.00 WT1 H ATOM 24808 OH2 TIP3 8525 50.500 92.174 19.413 1.00 0.00 WT1 O ATOM 24809 H1 TIP3 8525 50.725 92.480 18.535 1.00 0.00 WT1 H ATOM 24810 H2 TIP3 8525 50.214 92.961 19.876 1.00 0.00 WT1 H ATOM 24811 OH2 TIP3 8526 71.668 12.765 -7.709 1.00 0.00 WT1 O ATOM 24812 H1 TIP3 8526 71.602 13.634 -7.314 1.00 0.00 WT1 H ATOM 24813 H2 TIP3 8526 71.661 12.161 -6.966 1.00 0.00 WT1 H ATOM 24814 OH2 TIP3 8527 61.274 5.235 51.442 1.00 0.00 WT1 O ATOM 24815 H1 TIP3 8527 61.045 4.349 51.161 1.00 0.00 WT1 H ATOM 24816 H2 TIP3 8527 61.505 5.142 52.367 1.00 0.00 WT1 H ATOM 24817 OH2 TIP3 8528 27.386 77.419 -4.361 1.00 0.00 WT1 O ATOM 24818 H1 TIP3 8528 27.204 76.802 -5.070 1.00 0.00 WT1 H ATOM 24819 H2 TIP3 8528 28.103 77.017 -3.871 1.00 0.00 WT1 H ATOM 24820 OH2 TIP3 8529 48.267 31.120 60.160 1.00 0.00 WT1 O ATOM 24821 H1 TIP3 8529 48.887 31.751 59.794 1.00 0.00 WT1 H ATOM 24822 H2 TIP3 8529 48.271 30.392 59.538 1.00 0.00 WT1 H ATOM 24823 OH2 TIP3 8530 84.508 19.914 46.246 1.00 0.00 WT1 O ATOM 24824 H1 TIP3 8530 85.382 20.301 46.304 1.00 0.00 WT1 H ATOM 24825 H2 TIP3 8530 84.201 20.143 45.369 1.00 0.00 WT1 H ATOM 24826 OH2 TIP3 8531 57.137 30.014 11.924 1.00 0.00 WT1 O ATOM 24827 H1 TIP3 8531 56.267 29.775 12.244 1.00 0.00 WT1 H ATOM 24828 H2 TIP3 8531 57.041 30.052 10.972 1.00 0.00 WT1 H ATOM 24829 OH2 TIP3 8532 20.688 40.123 21.155 1.00 0.00 WT1 O ATOM 24830 H1 TIP3 8532 21.122 40.682 21.800 1.00 0.00 WT1 H ATOM 24831 H2 TIP3 8532 20.030 40.689 20.751 1.00 0.00 WT1 H ATOM 24832 OH2 TIP3 8533 60.612 11.635 16.377 1.00 0.00 WT1 O ATOM 24833 H1 TIP3 8533 61.387 11.083 16.276 1.00 0.00 WT1 H ATOM 24834 H2 TIP3 8533 60.875 12.486 16.028 1.00 0.00 WT1 H ATOM 24835 OH2 TIP3 8534 79.604 29.858 45.153 1.00 0.00 WT1 O ATOM 24836 H1 TIP3 8534 79.743 30.792 45.307 1.00 0.00 WT1 H ATOM 24837 H2 TIP3 8534 80.067 29.678 44.334 1.00 0.00 WT1 H ATOM 24838 OH2 TIP3 8535 22.128 5.968 41.843 1.00 0.00 WT1 O ATOM 24839 H1 TIP3 8535 23.071 5.801 41.827 1.00 0.00 WT1 H ATOM 24840 H2 TIP3 8535 21.953 6.434 41.026 1.00 0.00 WT1 H ATOM 24841 OH2 TIP3 8536 28.365 37.289 17.739 1.00 0.00 WT1 O ATOM 24842 H1 TIP3 8536 27.818 37.203 16.959 1.00 0.00 WT1 H ATOM 24843 H2 TIP3 8536 29.260 37.324 17.402 1.00 0.00 WT1 H ATOM 24844 OH2 TIP3 8538 31.594 14.827 -2.273 1.00 0.00 WT1 O ATOM 24845 H1 TIP3 8538 31.542 15.782 -2.237 1.00 0.00 WT1 H ATOM 24846 H2 TIP3 8538 32.526 14.634 -2.165 1.00 0.00 WT1 H ATOM 24847 OH2 TIP3 8539 61.794 88.559 65.102 1.00 0.00 WT1 O ATOM 24848 H1 TIP3 8539 62.284 88.463 65.919 1.00 0.00 WT1 H ATOM 24849 H2 TIP3 8539 61.790 89.501 64.934 1.00 0.00 WT1 H ATOM 24850 OH2 TIP3 8540 22.723 48.580 59.737 1.00 0.00 WT1 O ATOM 24851 H1 TIP3 8540 22.009 49.206 59.615 1.00 0.00 WT1 H ATOM 24852 H2 TIP3 8540 22.410 47.988 60.421 1.00 0.00 WT1 H ATOM 24853 OH2 TIP3 8541 58.508 29.850 0.034 1.00 0.00 WT1 O ATOM 24854 H1 TIP3 8541 59.352 29.502 -0.251 1.00 0.00 WT1 H ATOM 24855 H2 TIP3 8541 58.589 30.797 -0.075 1.00 0.00 WT1 H ATOM 24856 OH2 TIP3 8542 41.677 55.480 -6.877 1.00 0.00 WT1 O ATOM 24857 H1 TIP3 8542 42.175 55.008 -7.543 1.00 0.00 WT1 H ATOM 24858 H2 TIP3 8542 42.279 55.559 -6.137 1.00 0.00 WT1 H ATOM 24859 OH2 TIP3 8543 24.927 10.832 -12.577 1.00 0.00 WT1 O ATOM 24860 H1 TIP3 8543 24.585 10.056 -13.021 1.00 0.00 WT1 H ATOM 24861 H2 TIP3 8543 24.220 11.104 -11.991 1.00 0.00 WT1 H ATOM 24862 OH2 TIP3 8544 23.115 21.750 33.502 1.00 0.00 WT1 O ATOM 24863 H1 TIP3 8544 24.047 21.566 33.624 1.00 0.00 WT1 H ATOM 24864 H2 TIP3 8544 23.065 22.182 32.649 1.00 0.00 WT1 H ATOM 24865 OH2 TIP3 8545 65.521 75.896 -9.866 1.00 0.00 WT1 O ATOM 24866 H1 TIP3 8545 66.069 75.154 -9.608 1.00 0.00 WT1 H ATOM 24867 H2 TIP3 8545 65.311 75.731 -10.785 1.00 0.00 WT1 H ATOM 24868 OH2 TIP3 8546 38.564 7.319 7.196 1.00 0.00 WT1 O ATOM 24869 H1 TIP3 8546 37.997 7.843 7.762 1.00 0.00 WT1 H ATOM 24870 H2 TIP3 8546 38.816 7.915 6.490 1.00 0.00 WT1 H ATOM 24871 OH2 TIP3 8547 90.360 87.964 35.870 1.00 0.00 WT1 O ATOM 24872 H1 TIP3 8547 89.530 88.132 35.424 1.00 0.00 WT1 H ATOM 24873 H2 TIP3 8547 90.626 87.097 35.564 1.00 0.00 WT1 H ATOM 24874 OH2 TIP3 8548 54.531 23.273 39.134 1.00 0.00 WT1 O ATOM 24875 H1 TIP3 8548 54.353 22.753 39.917 1.00 0.00 WT1 H ATOM 24876 H2 TIP3 8548 55.337 23.747 39.338 1.00 0.00 WT1 H ATOM 24877 OH2 TIP3 8549 32.263 41.496 23.900 1.00 0.00 WT1 O ATOM 24878 H1 TIP3 8549 32.739 40.707 24.157 1.00 0.00 WT1 H ATOM 24879 H2 TIP3 8549 32.107 41.388 22.962 1.00 0.00 WT1 H ATOM 24880 OH2 TIP3 8550 47.074 3.616 -19.245 1.00 0.00 WT1 O ATOM 24881 H1 TIP3 8550 46.395 4.221 -18.945 1.00 0.00 WT1 H ATOM 24882 H2 TIP3 8550 46.973 2.846 -18.686 1.00 0.00 WT1 H ATOM 24883 OH2 TIP3 8551 51.647 19.511 -5.262 1.00 0.00 WT1 O ATOM 24884 H1 TIP3 8551 50.887 19.313 -5.808 1.00 0.00 WT1 H ATOM 24885 H2 TIP3 8551 52.379 19.558 -5.877 1.00 0.00 WT1 H ATOM 24886 OH2 TIP3 8552 35.790 91.565 7.339 1.00 0.00 WT1 O ATOM 24887 H1 TIP3 8552 35.101 91.408 7.984 1.00 0.00 WT1 H ATOM 24888 H2 TIP3 8552 36.404 92.151 7.782 1.00 0.00 WT1 H ATOM 24889 OH2 TIP3 8553 48.399 27.790 -4.389 1.00 0.00 WT1 O ATOM 24890 H1 TIP3 8553 48.405 27.890 -3.437 1.00 0.00 WT1 H ATOM 24891 H2 TIP3 8553 47.663 28.326 -4.683 1.00 0.00 WT1 H ATOM 24892 OH2 TIP3 8554 47.601 9.874 15.532 1.00 0.00 WT1 O ATOM 24893 H1 TIP3 8554 47.358 9.261 16.226 1.00 0.00 WT1 H ATOM 24894 H2 TIP3 8554 48.103 10.555 15.979 1.00 0.00 WT1 H ATOM 24895 OH2 TIP3 8555 29.460 80.080 32.210 1.00 0.00 WT1 O ATOM 24896 H1 TIP3 8555 30.050 79.738 31.538 1.00 0.00 WT1 H ATOM 24897 H2 TIP3 8555 28.765 79.425 32.274 1.00 0.00 WT1 H ATOM 24898 OH2 TIP3 8556 30.414 12.108 -2.964 1.00 0.00 WT1 O ATOM 24899 H1 TIP3 8556 30.605 13.046 -2.951 1.00 0.00 WT1 H ATOM 24900 H2 TIP3 8556 29.886 11.981 -3.752 1.00 0.00 WT1 H ATOM 24901 OH2 TIP3 8557 26.673 20.100 60.908 1.00 0.00 WT1 O ATOM 24902 H1 TIP3 8557 27.219 19.336 60.722 1.00 0.00 WT1 H ATOM 24903 H2 TIP3 8557 26.956 20.391 61.775 1.00 0.00 WT1 H ATOM 24904 OH2 TIP3 8558 75.365 72.076 7.125 1.00 0.00 WT1 O ATOM 24905 H1 TIP3 8558 76.084 71.471 7.305 1.00 0.00 WT1 H ATOM 24906 H2 TIP3 8558 74.573 71.569 7.305 1.00 0.00 WT1 H ATOM 24907 OH2 TIP3 8559 57.324 16.911 65.377 1.00 0.00 WT1 O ATOM 24908 H1 TIP3 8559 57.259 16.991 66.329 1.00 0.00 WT1 H ATOM 24909 H2 TIP3 8559 56.421 16.991 65.068 1.00 0.00 WT1 H ATOM 24910 OH2 TIP3 8560 21.966 21.721 3.672 1.00 0.00 WT1 O ATOM 24911 H1 TIP3 8560 22.633 21.177 3.253 1.00 0.00 WT1 H ATOM 24912 H2 TIP3 8560 22.401 22.080 4.446 1.00 0.00 WT1 H ATOM 24913 OH2 TIP3 8561 38.843 62.815 43.921 1.00 0.00 WT1 O ATOM 24914 H1 TIP3 8561 38.776 63.534 43.292 1.00 0.00 WT1 H ATOM 24915 H2 TIP3 8561 39.690 62.410 43.734 1.00 0.00 WT1 H ATOM 24916 OH2 TIP3 8562 41.316 24.562 13.340 1.00 0.00 WT1 O ATOM 24917 H1 TIP3 8562 41.115 23.778 13.850 1.00 0.00 WT1 H ATOM 24918 H2 TIP3 8562 42.272 24.592 13.310 1.00 0.00 WT1 H ATOM 24919 OH2 TIP3 8563 48.092 48.170 -2.704 1.00 0.00 WT1 O ATOM 24920 H1 TIP3 8563 48.455 48.801 -2.083 1.00 0.00 WT1 H ATOM 24921 H2 TIP3 8563 48.186 47.323 -2.268 1.00 0.00 WT1 H ATOM 24922 OH2 TIP3 8565 62.393 64.859 35.759 1.00 0.00 WT1 O ATOM 24923 H1 TIP3 8565 61.939 64.219 36.308 1.00 0.00 WT1 H ATOM 24924 H2 TIP3 8565 62.014 64.740 34.889 1.00 0.00 WT1 H ATOM 24925 OH2 TIP3 8566 78.125 89.034 12.730 1.00 0.00 WT1 O ATOM 24926 H1 TIP3 8566 78.094 88.911 11.781 1.00 0.00 WT1 H ATOM 24927 H2 TIP3 8566 78.758 88.384 13.035 1.00 0.00 WT1 H ATOM 24928 OH2 TIP3 8567 66.465 6.331 19.648 1.00 0.00 WT1 O ATOM 24929 H1 TIP3 8567 65.636 6.796 19.531 1.00 0.00 WT1 H ATOM 24930 H2 TIP3 8567 66.935 6.841 20.308 1.00 0.00 WT1 H ATOM 24931 OH2 TIP3 8569 86.164 43.870 19.904 1.00 0.00 WT1 O ATOM 24932 H1 TIP3 8569 85.452 44.189 19.349 1.00 0.00 WT1 H ATOM 24933 H2 TIP3 8569 86.742 43.397 19.306 1.00 0.00 WT1 H ATOM 24934 OH2 TIP3 8571 85.968 47.953 10.566 1.00 0.00 WT1 O ATOM 24935 H1 TIP3 8571 86.473 47.975 11.379 1.00 0.00 WT1 H ATOM 24936 H2 TIP3 8571 85.056 48.026 10.848 1.00 0.00 WT1 H ATOM 24937 OH2 TIP3 8572 46.045 7.190 9.888 1.00 0.00 WT1 O ATOM 24938 H1 TIP3 8572 46.572 6.796 10.583 1.00 0.00 WT1 H ATOM 24939 H2 TIP3 8572 45.387 7.710 10.350 1.00 0.00 WT1 H ATOM 24940 OH2 TIP3 8573 43.824 2.156 46.443 1.00 0.00 WT1 O ATOM 24941 H1 TIP3 8573 44.312 1.417 46.806 1.00 0.00 WT1 H ATOM 24942 H2 TIP3 8573 44.498 2.772 46.156 1.00 0.00 WT1 H ATOM 24943 OH2 TIP3 8574 33.269 80.284 -17.388 1.00 0.00 WT1 O ATOM 24944 H1 TIP3 8574 32.361 80.005 -17.271 1.00 0.00 WT1 H ATOM 24945 H2 TIP3 8574 33.232 81.240 -17.356 1.00 0.00 WT1 H ATOM 24946 OH2 TIP3 8576 30.880 19.847 -1.176 1.00 0.00 WT1 O ATOM 24947 H1 TIP3 8576 31.666 20.249 -0.805 1.00 0.00 WT1 H ATOM 24948 H2 TIP3 8576 30.214 19.951 -0.497 1.00 0.00 WT1 H ATOM 24949 OH2 TIP3 8577 54.662 42.551 -14.549 1.00 0.00 WT1 O ATOM 24950 H1 TIP3 8577 53.892 43.100 -14.703 1.00 0.00 WT1 H ATOM 24951 H2 TIP3 8577 55.044 42.426 -15.418 1.00 0.00 WT1 H ATOM 24952 OH2 TIP3 8578 61.896 57.710 41.191 1.00 0.00 WT1 O ATOM 24953 H1 TIP3 8578 61.089 57.239 40.984 1.00 0.00 WT1 H ATOM 24954 H2 TIP3 8578 61.622 58.403 41.792 1.00 0.00 WT1 H ATOM 24955 OH2 TIP3 8579 39.140 34.931 -8.057 1.00 0.00 WT1 O ATOM 24956 H1 TIP3 8579 39.311 35.680 -8.628 1.00 0.00 WT1 H ATOM 24957 H2 TIP3 8579 38.195 34.953 -7.908 1.00 0.00 WT1 H ATOM 24958 OH2 TIP3 8580 75.542 68.915 16.007 1.00 0.00 WT1 O ATOM 24959 H1 TIP3 8580 75.152 68.916 16.881 1.00 0.00 WT1 H ATOM 24960 H2 TIP3 8580 74.884 68.498 15.451 1.00 0.00 WT1 H ATOM 24961 OH2 TIP3 8581 30.909 27.480 55.991 1.00 0.00 WT1 O ATOM 24962 H1 TIP3 8581 31.590 27.881 55.451 1.00 0.00 WT1 H ATOM 24963 H2 TIP3 8581 30.162 27.379 55.400 1.00 0.00 WT1 H ATOM 24964 OH2 TIP3 8582 33.927 9.841 42.795 1.00 0.00 WT1 O ATOM 24965 H1 TIP3 8582 34.175 10.224 41.953 1.00 0.00 WT1 H ATOM 24966 H2 TIP3 8582 34.588 10.161 43.408 1.00 0.00 WT1 H ATOM 24967 OH2 TIP3 8583 72.083 4.923 7.520 1.00 0.00 WT1 O ATOM 24968 H1 TIP3 8583 71.288 4.790 8.036 1.00 0.00 WT1 H ATOM 24969 H2 TIP3 8583 72.794 4.655 8.102 1.00 0.00 WT1 H ATOM 24970 OH2 TIP3 8584 50.873 10.115 1.785 1.00 0.00 WT1 O ATOM 24971 H1 TIP3 8584 50.197 9.559 2.173 1.00 0.00 WT1 H ATOM 24972 H2 TIP3 8584 50.678 10.993 2.112 1.00 0.00 WT1 H ATOM 24973 OH2 TIP3 8585 82.992 44.868 24.136 1.00 0.00 WT1 O ATOM 24974 H1 TIP3 8585 83.180 45.719 23.741 1.00 0.00 WT1 H ATOM 24975 H2 TIP3 8585 82.103 44.954 24.481 1.00 0.00 WT1 H ATOM 24976 OH2 TIP3 8586 80.217 30.595 4.222 1.00 0.00 WT1 O ATOM 24977 H1 TIP3 8586 79.891 30.159 3.435 1.00 0.00 WT1 H ATOM 24978 H2 TIP3 8586 79.489 31.148 4.508 1.00 0.00 WT1 H ATOM 24979 OH2 TIP3 8587 30.778 61.207 67.212 1.00 0.00 WT1 O ATOM 24980 H1 TIP3 8587 30.331 62.017 66.968 1.00 0.00 WT1 H ATOM 24981 H2 TIP3 8587 30.074 60.609 67.462 1.00 0.00 WT1 H ATOM 24982 OH2 TIP3 8588 85.593 90.818 14.689 1.00 0.00 WT1 O ATOM 24983 H1 TIP3 8588 84.640 90.880 14.626 1.00 0.00 WT1 H ATOM 24984 H2 TIP3 8588 85.864 91.653 15.070 1.00 0.00 WT1 H ATOM 24985 OH2 TIP3 8589 68.982 13.466 -10.685 1.00 0.00 WT1 O ATOM 24986 H1 TIP3 8589 68.639 13.795 -9.854 1.00 0.00 WT1 H ATOM 24987 H2 TIP3 8589 68.440 12.703 -10.883 1.00 0.00 WT1 H ATOM 24988 OH2 TIP3 8590 35.584 37.917 12.999 1.00 0.00 WT1 O ATOM 24989 H1 TIP3 8590 36.181 38.600 12.696 1.00 0.00 WT1 H ATOM 24990 H2 TIP3 8590 34.731 38.169 12.646 1.00 0.00 WT1 H ATOM 24991 OH2 TIP3 8591 90.526 66.421 6.319 1.00 0.00 WT1 O ATOM 24992 H1 TIP3 8591 89.620 66.148 6.461 1.00 0.00 WT1 H ATOM 24993 H2 TIP3 8591 91.033 65.611 6.372 1.00 0.00 WT1 H ATOM 24994 OH2 TIP3 8592 31.833 95.241 -10.336 1.00 0.00 WT1 O ATOM 24995 H1 TIP3 8592 32.330 95.208 -9.518 1.00 0.00 WT1 H ATOM 24996 H2 TIP3 8592 32.189 94.525 -10.862 1.00 0.00 WT1 H ATOM 24997 OH2 TIP3 8593 76.454 88.569 -5.993 1.00 0.00 WT1 O ATOM 24998 H1 TIP3 8593 76.144 87.993 -6.692 1.00 0.00 WT1 H ATOM 24999 H2 TIP3 8593 76.157 89.441 -6.251 1.00 0.00 WT1 H ATOM 25000 OH2 TIP3 8594 71.604 11.123 -5.360 1.00 0.00 WT1 O ATOM 25001 H1 TIP3 8594 72.005 11.886 -4.944 1.00 0.00 WT1 H ATOM 25002 H2 TIP3 8594 71.133 10.684 -4.652 1.00 0.00 WT1 H ATOM 25003 OH2 TIP3 8595 48.453 2.541 33.357 1.00 0.00 WT1 O ATOM 25004 H1 TIP3 8595 48.935 2.474 34.181 1.00 0.00 WT1 H ATOM 25005 H2 TIP3 8595 48.905 3.230 32.870 1.00 0.00 WT1 H ATOM 25006 OH2 TIP3 8596 57.232 56.353 36.701 1.00 0.00 WT1 O ATOM 25007 H1 TIP3 8596 56.400 56.033 37.048 1.00 0.00 WT1 H ATOM 25008 H2 TIP3 8596 57.010 56.718 35.844 1.00 0.00 WT1 H ATOM 25009 OH2 TIP3 8597 86.651 46.413 39.627 1.00 0.00 WT1 O ATOM 25010 H1 TIP3 8597 85.996 46.387 38.930 1.00 0.00 WT1 H ATOM 25011 H2 TIP3 8597 86.791 47.345 39.791 1.00 0.00 WT1 H ATOM 25012 OH2 TIP3 8598 71.990 17.603 48.400 1.00 0.00 WT1 O ATOM 25013 H1 TIP3 8598 71.041 17.602 48.270 1.00 0.00 WT1 H ATOM 25014 H2 TIP3 8598 72.347 17.316 47.560 1.00 0.00 WT1 H ATOM 25015 OH2 TIP3 8600 87.814 54.992 12.438 1.00 0.00 WT1 O ATOM 25016 H1 TIP3 8600 88.185 54.627 13.242 1.00 0.00 WT1 H ATOM 25017 H2 TIP3 8600 87.829 55.939 12.575 1.00 0.00 WT1 H ATOM 25018 OH2 TIP3 8601 65.773 47.076 14.758 1.00 0.00 WT1 O ATOM 25019 H1 TIP3 8601 64.829 46.979 14.633 1.00 0.00 WT1 H ATOM 25020 H2 TIP3 8601 66.066 46.214 15.054 1.00 0.00 WT1 H ATOM 25021 OH2 TIP3 8602 20.429 62.490 49.912 1.00 0.00 WT1 O ATOM 25022 H1 TIP3 8602 20.478 63.436 50.050 1.00 0.00 WT1 H ATOM 25023 H2 TIP3 8602 20.943 62.336 49.119 1.00 0.00 WT1 H ATOM 25024 OH2 TIP3 8603 38.671 14.250 32.511 1.00 0.00 WT1 O ATOM 25025 H1 TIP3 8603 37.896 14.387 31.966 1.00 0.00 WT1 H ATOM 25026 H2 TIP3 8603 38.673 14.993 33.115 1.00 0.00 WT1 H ATOM 25027 OH2 TIP3 8604 85.026 15.351 57.166 1.00 0.00 WT1 O ATOM 25028 H1 TIP3 8604 85.695 15.798 56.648 1.00 0.00 WT1 H ATOM 25029 H2 TIP3 8604 85.348 15.398 58.066 1.00 0.00 WT1 H ATOM 25030 OH2 TIP3 8605 90.056 33.767 3.219 1.00 0.00 WT1 O ATOM 25031 H1 TIP3 8605 89.371 34.345 3.557 1.00 0.00 WT1 H ATOM 25032 H2 TIP3 8605 90.698 33.718 3.927 1.00 0.00 WT1 H ATOM 25033 OH2 TIP3 8606 51.304 1.082 4.499 1.00 0.00 WT1 O ATOM 25034 H1 TIP3 8606 52.189 1.426 4.377 1.00 0.00 WT1 H ATOM 25035 H2 TIP3 8606 50.780 1.531 3.835 1.00 0.00 WT1 H ATOM 25036 OH2 TIP3 8607 55.920 42.270 56.373 1.00 0.00 WT1 O ATOM 25037 H1 TIP3 8607 55.547 43.146 56.467 1.00 0.00 WT1 H ATOM 25038 H2 TIP3 8607 56.092 42.181 55.436 1.00 0.00 WT1 H ATOM 25039 OH2 TIP3 8608 70.770 27.846 38.711 1.00 0.00 WT1 O ATOM 25040 H1 TIP3 8608 71.671 27.524 38.710 1.00 0.00 WT1 H ATOM 25041 H2 TIP3 8608 70.249 27.103 38.406 1.00 0.00 WT1 H ATOM 25042 OH2 TIP3 8609 63.330 80.609 53.706 1.00 0.00 WT1 O ATOM 25043 H1 TIP3 8609 63.206 81.017 52.849 1.00 0.00 WT1 H ATOM 25044 H2 TIP3 8609 62.449 80.355 53.981 1.00 0.00 WT1 H ATOM 25045 OH2 TIP3 8611 62.353 26.717 8.202 1.00 0.00 WT1 O ATOM 25046 H1 TIP3 8611 62.989 26.284 7.634 1.00 0.00 WT1 H ATOM 25047 H2 TIP3 8611 61.667 26.063 8.337 1.00 0.00 WT1 H ATOM 25048 OH2 TIP3 8612 27.965 28.080 36.376 1.00 0.00 WT1 O ATOM 25049 H1 TIP3 8612 28.797 28.491 36.611 1.00 0.00 WT1 H ATOM 25050 H2 TIP3 8612 28.139 27.140 36.426 1.00 0.00 WT1 H ATOM 25051 OH2 TIP3 8613 82.977 13.032 45.512 1.00 0.00 WT1 O ATOM 25052 H1 TIP3 8613 82.105 12.910 45.888 1.00 0.00 WT1 H ATOM 25053 H2 TIP3 8613 83.387 12.169 45.570 1.00 0.00 WT1 H ATOM 25054 OH2 TIP3 8614 88.911 53.837 0.728 1.00 0.00 WT1 O ATOM 25055 H1 TIP3 8614 89.799 54.191 0.786 1.00 0.00 WT1 H ATOM 25056 H2 TIP3 8614 88.434 54.269 1.437 1.00 0.00 WT1 H ATOM 25057 OH2 TIP3 8615 31.376 5.376 26.209 1.00 0.00 WT1 O ATOM 25058 H1 TIP3 8615 31.192 4.609 25.667 1.00 0.00 WT1 H ATOM 25059 H2 TIP3 8615 30.562 5.881 26.195 1.00 0.00 WT1 H ATOM 25060 OH2 TIP3 8616 26.736 12.277 3.300 1.00 0.00 WT1 O ATOM 25061 H1 TIP3 8616 27.007 12.597 2.440 1.00 0.00 WT1 H ATOM 25062 H2 TIP3 8616 27.015 12.962 3.909 1.00 0.00 WT1 H ATOM 25063 OH2 TIP3 8617 63.495 50.635 -1.726 1.00 0.00 WT1 O ATOM 25064 H1 TIP3 8617 63.613 50.261 -2.599 1.00 0.00 WT1 H ATOM 25065 H2 TIP3 8617 63.105 51.495 -1.885 1.00 0.00 WT1 H ATOM 25066 OH2 TIP3 8618 85.740 66.601 30.515 1.00 0.00 WT1 O ATOM 25067 H1 TIP3 8618 85.829 67.553 30.548 1.00 0.00 WT1 H ATOM 25068 H2 TIP3 8618 85.072 66.445 29.848 1.00 0.00 WT1 H ATOM 25069 OH2 TIP3 8619 90.204 46.082 11.361 1.00 0.00 WT1 O ATOM 25070 H1 TIP3 8619 90.136 45.226 11.784 1.00 0.00 WT1 H ATOM 25071 H2 TIP3 8619 89.331 46.242 11.002 1.00 0.00 WT1 H ATOM 25072 OH2 TIP3 8620 63.566 0.486 5.765 1.00 0.00 WT1 O ATOM 25073 H1 TIP3 8620 63.719 -0.232 5.150 1.00 0.00 WT1 H ATOM 25074 H2 TIP3 8620 64.157 0.306 6.496 1.00 0.00 WT1 H ATOM 25075 OH2 TIP3 8622 27.241 13.094 0.794 1.00 0.00 WT1 O ATOM 25076 H1 TIP3 8622 27.997 13.655 0.622 1.00 0.00 WT1 H ATOM 25077 H2 TIP3 8622 26.539 13.465 0.259 1.00 0.00 WT1 H ATOM 25078 OH2 TIP3 8623 33.177 66.269 27.471 1.00 0.00 WT1 O ATOM 25079 H1 TIP3 8623 34.018 66.721 27.399 1.00 0.00 WT1 H ATOM 25080 H2 TIP3 8623 33.214 65.827 28.320 1.00 0.00 WT1 H ATOM 25081 OH2 TIP3 8624 80.903 23.890 59.034 1.00 0.00 WT1 O ATOM 25082 H1 TIP3 8624 81.120 22.959 59.071 1.00 0.00 WT1 H ATOM 25083 H2 TIP3 8624 80.929 24.179 59.946 1.00 0.00 WT1 H ATOM 25084 OH2 TIP3 8625 78.634 1.126 5.741 1.00 0.00 WT1 O ATOM 25085 H1 TIP3 8625 79.381 0.618 5.426 1.00 0.00 WT1 H ATOM 25086 H2 TIP3 8625 78.979 1.628 6.479 1.00 0.00 WT1 H ATOM 25087 OH2 TIP3 8627 31.596 34.622 30.822 1.00 0.00 WT1 O ATOM 25088 H1 TIP3 8627 31.635 35.373 30.231 1.00 0.00 WT1 H ATOM 25089 H2 TIP3 8627 30.665 34.519 31.019 1.00 0.00 WT1 H ATOM 25090 OH2 TIP3 8628 83.419 48.647 43.410 1.00 0.00 WT1 O ATOM 25091 H1 TIP3 8628 83.186 49.118 44.211 1.00 0.00 WT1 H ATOM 25092 H2 TIP3 8628 82.936 47.822 43.469 1.00 0.00 WT1 H ATOM 25093 OH2 TIP3 8629 36.914 82.765 11.431 1.00 0.00 WT1 O ATOM 25094 H1 TIP3 8629 37.503 82.808 10.677 1.00 0.00 WT1 H ATOM 25095 H2 TIP3 8629 37.464 82.448 12.147 1.00 0.00 WT1 H ATOM 25096 OH2 TIP3 8630 61.988 60.465 48.248 1.00 0.00 WT1 O ATOM 25097 H1 TIP3 8630 61.993 59.560 47.938 1.00 0.00 WT1 H ATOM 25098 H2 TIP3 8630 62.892 60.760 48.142 1.00 0.00 WT1 H ATOM 25099 OH2 TIP3 8631 84.513 8.677 2.079 1.00 0.00 WT1 O ATOM 25100 H1 TIP3 8631 84.526 9.604 1.840 1.00 0.00 WT1 H ATOM 25101 H2 TIP3 8631 84.517 8.213 1.242 1.00 0.00 WT1 H ATOM 25102 OH2 TIP3 8633 60.966 5.723 47.442 1.00 0.00 WT1 O ATOM 25103 H1 TIP3 8633 60.188 6.239 47.653 1.00 0.00 WT1 H ATOM 25104 H2 TIP3 8633 60.660 4.816 47.445 1.00 0.00 WT1 H ATOM 25105 OH2 TIP3 8634 71.291 11.839 7.837 1.00 0.00 WT1 O ATOM 25106 H1 TIP3 8634 71.357 12.776 7.655 1.00 0.00 WT1 H ATOM 25107 H2 TIP3 8634 72.062 11.644 8.370 1.00 0.00 WT1 H ATOM 25108 OH2 TIP3 8635 26.176 5.904 32.762 1.00 0.00 WT1 O ATOM 25109 H1 TIP3 8635 26.140 5.111 33.298 1.00 0.00 WT1 H ATOM 25110 H2 TIP3 8635 26.783 5.687 32.054 1.00 0.00 WT1 H ATOM 25111 OH2 TIP3 8636 29.026 60.537 34.641 1.00 0.00 WT1 O ATOM 25112 H1 TIP3 8636 28.699 59.989 33.927 1.00 0.00 WT1 H ATOM 25113 H2 TIP3 8636 29.035 61.423 34.278 1.00 0.00 WT1 H ATOM 25114 OH2 TIP3 8637 87.804 5.634 59.354 1.00 0.00 WT1 O ATOM 25115 H1 TIP3 8637 88.565 5.940 58.861 1.00 0.00 WT1 H ATOM 25116 H2 TIP3 8637 87.806 6.162 60.152 1.00 0.00 WT1 H ATOM 25117 OH2 TIP3 8638 43.509 45.979 5.812 1.00 0.00 WT1 O ATOM 25118 H1 TIP3 8638 44.064 46.586 6.302 1.00 0.00 WT1 H ATOM 25119 H2 TIP3 8638 42.625 46.336 5.903 1.00 0.00 WT1 H ATOM 25120 OH2 TIP3 8639 61.395 20.300 -19.841 1.00 0.00 WT1 O ATOM 25121 H1 TIP3 8639 62.030 20.609 -19.195 1.00 0.00 WT1 H ATOM 25122 H2 TIP3 8639 60.840 19.687 -19.358 1.00 0.00 WT1 H ATOM 25123 OH2 TIP3 8640 63.962 24.605 29.897 1.00 0.00 WT1 O ATOM 25124 H1 TIP3 8640 63.745 24.931 29.023 1.00 0.00 WT1 H ATOM 25125 H2 TIP3 8640 64.307 25.368 30.360 1.00 0.00 WT1 H ATOM 25126 OH2 TIP3 8641 52.593 70.846 60.118 1.00 0.00 WT1 O ATOM 25127 H1 TIP3 8641 52.816 71.085 59.218 1.00 0.00 WT1 H ATOM 25128 H2 TIP3 8641 53.354 70.358 60.433 1.00 0.00 WT1 H ATOM 25129 OH2 TIP3 8642 21.713 21.088 47.554 1.00 0.00 WT1 O ATOM 25130 H1 TIP3 8642 22.464 21.330 47.013 1.00 0.00 WT1 H ATOM 25131 H2 TIP3 8642 21.412 21.914 47.931 1.00 0.00 WT1 H ATOM 25132 OH2 TIP3 8643 41.964 6.596 56.333 1.00 0.00 WT1 O ATOM 25133 H1 TIP3 8643 42.301 5.892 55.778 1.00 0.00 WT1 H ATOM 25134 H2 TIP3 8643 41.253 6.984 55.823 1.00 0.00 WT1 H ATOM 25135 OH2 TIP3 8644 37.552 17.003 -17.479 1.00 0.00 WT1 O ATOM 25136 H1 TIP3 8644 38.023 17.715 -17.045 1.00 0.00 WT1 H ATOM 25137 H2 TIP3 8644 37.573 16.283 -16.849 1.00 0.00 WT1 H ATOM 25138 OH2 TIP3 8645 31.752 31.002 47.698 1.00 0.00 WT1 O ATOM 25139 H1 TIP3 8645 30.803 30.963 47.585 1.00 0.00 WT1 H ATOM 25140 H2 TIP3 8645 31.876 31.415 48.552 1.00 0.00 WT1 H ATOM 25141 OH2 TIP3 8646 35.913 71.137 11.388 1.00 0.00 WT1 O ATOM 25142 H1 TIP3 8646 36.491 70.515 10.946 1.00 0.00 WT1 H ATOM 25143 H2 TIP3 8646 36.127 71.045 12.317 1.00 0.00 WT1 H ATOM 25144 OH2 TIP3 8647 73.218 38.871 12.469 1.00 0.00 WT1 O ATOM 25145 H1 TIP3 8647 73.130 38.047 12.947 1.00 0.00 WT1 H ATOM 25146 H2 TIP3 8647 72.353 39.276 12.527 1.00 0.00 WT1 H ATOM 25147 OH2 TIP3 8648 85.194 25.552 33.926 1.00 0.00 WT1 O ATOM 25148 H1 TIP3 8648 84.628 24.829 34.195 1.00 0.00 WT1 H ATOM 25149 H2 TIP3 8648 84.750 26.337 34.246 1.00 0.00 WT1 H ATOM 25150 OH2 TIP3 8649 81.655 96.502 66.185 1.00 0.00 WT1 O ATOM 25151 H1 TIP3 8649 81.427 96.646 67.103 1.00 0.00 WT1 H ATOM 25152 H2 TIP3 8649 80.813 96.386 65.744 1.00 0.00 WT1 H ATOM 25153 OH2 TIP3 8650 81.724 36.485 36.653 1.00 0.00 WT1 O ATOM 25154 H1 TIP3 8650 82.258 36.237 37.407 1.00 0.00 WT1 H ATOM 25155 H2 TIP3 8650 81.382 35.657 36.318 1.00 0.00 WT1 H ATOM 25156 OH2 TIP3 8652 41.531 21.444 44.571 1.00 0.00 WT1 O ATOM 25157 H1 TIP3 8652 41.360 21.217 43.657 1.00 0.00 WT1 H ATOM 25158 H2 TIP3 8652 41.786 22.366 44.546 1.00 0.00 WT1 H ATOM 25159 OH2 TIP3 8653 66.274 42.863 59.266 1.00 0.00 WT1 O ATOM 25160 H1 TIP3 8653 66.839 43.222 59.951 1.00 0.00 WT1 H ATOM 25161 H2 TIP3 8653 66.753 42.106 58.932 1.00 0.00 WT1 H ATOM 25162 OH2 TIP3 8654 84.622 33.423 18.089 1.00 0.00 WT1 O ATOM 25163 H1 TIP3 8654 85.461 33.372 17.632 1.00 0.00 WT1 H ATOM 25164 H2 TIP3 8654 84.856 33.508 19.013 1.00 0.00 WT1 H ATOM 25165 OH2 TIP3 8655 44.766 90.337 3.498 1.00 0.00 WT1 O ATOM 25166 H1 TIP3 8655 45.279 90.843 4.129 1.00 0.00 WT1 H ATOM 25167 H2 TIP3 8655 45.233 89.505 3.423 1.00 0.00 WT1 H ATOM 25168 OH2 TIP3 8656 25.881 52.148 59.758 1.00 0.00 WT1 O ATOM 25169 H1 TIP3 8656 26.730 51.915 59.383 1.00 0.00 WT1 H ATOM 25170 H2 TIP3 8656 25.242 51.840 59.116 1.00 0.00 WT1 H ATOM 25171 OH2 TIP3 8657 83.918 38.724 -10.890 1.00 0.00 WT1 O ATOM 25172 H1 TIP3 8657 83.010 38.969 -10.713 1.00 0.00 WT1 H ATOM 25173 H2 TIP3 8657 84.366 38.842 -10.053 1.00 0.00 WT1 H ATOM 25174 OH2 TIP3 8658 85.901 6.565 34.118 1.00 0.00 WT1 O ATOM 25175 H1 TIP3 8658 86.192 5.662 34.247 1.00 0.00 WT1 H ATOM 25176 H2 TIP3 8658 85.763 6.640 33.174 1.00 0.00 WT1 H ATOM 25177 OH2 TIP3 8659 86.117 66.653 33.627 1.00 0.00 WT1 O ATOM 25178 H1 TIP3 8659 85.466 66.071 34.019 1.00 0.00 WT1 H ATOM 25179 H2 TIP3 8659 86.808 66.066 33.318 1.00 0.00 WT1 H ATOM 25180 OH2 TIP3 8660 58.523 51.195 31.212 1.00 0.00 WT1 O ATOM 25181 H1 TIP3 8660 58.617 51.996 30.697 1.00 0.00 WT1 H ATOM 25182 H2 TIP3 8660 59.224 50.624 30.898 1.00 0.00 WT1 H ATOM 25183 OH2 TIP3 8662 81.337 74.501 40.743 1.00 0.00 WT1 O ATOM 25184 H1 TIP3 8662 80.804 74.930 40.074 1.00 0.00 WT1 H ATOM 25185 H2 TIP3 8662 82.231 74.791 40.559 1.00 0.00 WT1 H ATOM 25186 OH2 TIP3 8663 68.087 85.639 45.172 1.00 0.00 WT1 O ATOM 25187 H1 TIP3 8663 68.112 84.895 44.569 1.00 0.00 WT1 H ATOM 25188 H2 TIP3 8663 68.585 86.325 44.728 1.00 0.00 WT1 H ATOM 25189 OH2 TIP3 8665 81.422 32.771 57.969 1.00 0.00 WT1 O ATOM 25190 H1 TIP3 8665 81.495 33.402 57.253 1.00 0.00 WT1 H ATOM 25191 H2 TIP3 8665 82.126 33.009 58.572 1.00 0.00 WT1 H ATOM 25192 OH2 TIP3 8666 86.894 39.012 -2.128 1.00 0.00 WT1 O ATOM 25193 H1 TIP3 8666 87.235 39.666 -1.518 1.00 0.00 WT1 H ATOM 25194 H2 TIP3 8666 87.015 39.403 -2.993 1.00 0.00 WT1 H ATOM 25195 OH2 TIP3 8667 36.236 54.892 -3.890 1.00 0.00 WT1 O ATOM 25196 H1 TIP3 8667 36.034 54.325 -3.146 1.00 0.00 WT1 H ATOM 25197 H2 TIP3 8667 37.106 55.241 -3.696 1.00 0.00 WT1 H ATOM 25198 OH2 TIP3 8668 88.350 45.431 29.947 1.00 0.00 WT1 O ATOM 25199 H1 TIP3 8668 87.407 45.271 29.903 1.00 0.00 WT1 H ATOM 25200 H2 TIP3 8668 88.742 44.680 29.501 1.00 0.00 WT1 H ATOM 25201 OH2 TIP3 8669 26.957 18.878 34.334 1.00 0.00 WT1 O ATOM 25202 H1 TIP3 8669 26.793 18.615 33.428 1.00 0.00 WT1 H ATOM 25203 H2 TIP3 8669 26.162 18.629 34.804 1.00 0.00 WT1 H ATOM 25204 OH2 TIP3 8670 40.282 2.942 44.567 1.00 0.00 WT1 O ATOM 25205 H1 TIP3 8670 39.738 3.682 44.296 1.00 0.00 WT1 H ATOM 25206 H2 TIP3 8670 39.656 2.260 44.808 1.00 0.00 WT1 H ATOM 25207 OH2 TIP3 8671 70.119 85.366 -6.726 1.00 0.00 WT1 O ATOM 25208 H1 TIP3 8671 69.960 84.561 -6.233 1.00 0.00 WT1 H ATOM 25209 H2 TIP3 8671 69.849 85.156 -7.620 1.00 0.00 WT1 H ATOM 25210 OH2 TIP3 8672 48.804 13.310 44.218 1.00 0.00 WT1 O ATOM 25211 H1 TIP3 8672 48.957 12.857 45.047 1.00 0.00 WT1 H ATOM 25212 H2 TIP3 8672 48.609 14.213 44.470 1.00 0.00 WT1 H ATOM 25213 OH2 TIP3 8673 53.515 1.611 -6.019 1.00 0.00 WT1 O ATOM 25214 H1 TIP3 8673 52.656 1.190 -6.056 1.00 0.00 WT1 H ATOM 25215 H2 TIP3 8673 53.345 2.524 -6.253 1.00 0.00 WT1 H ATOM 25216 OH2 TIP3 8674 63.149 27.116 42.154 1.00 0.00 WT1 O ATOM 25217 H1 TIP3 8674 62.776 27.774 42.740 1.00 0.00 WT1 H ATOM 25218 H2 TIP3 8674 63.188 27.548 41.301 1.00 0.00 WT1 H ATOM 25219 OH2 TIP3 8675 31.849 72.020 39.720 1.00 0.00 WT1 O ATOM 25220 H1 TIP3 8675 32.268 72.869 39.858 1.00 0.00 WT1 H ATOM 25221 H2 TIP3 8675 32.516 71.490 39.285 1.00 0.00 WT1 H ATOM 25222 OH2 TIP3 8676 89.510 36.562 -6.185 1.00 0.00 WT1 O ATOM 25223 H1 TIP3 8676 89.923 35.998 -5.531 1.00 0.00 WT1 H ATOM 25224 H2 TIP3 8676 90.239 37.030 -6.593 1.00 0.00 WT1 H ATOM 25225 OH2 TIP3 8677 21.807 91.979 64.417 1.00 0.00 WT1 O ATOM 25226 H1 TIP3 8677 22.602 91.607 64.801 1.00 0.00 WT1 H ATOM 25227 H2 TIP3 8677 21.258 91.220 64.221 1.00 0.00 WT1 H ATOM 25228 OH2 TIP3 8678 89.628 42.834 -13.261 1.00 0.00 WT1 O ATOM 25229 H1 TIP3 8678 88.786 42.995 -13.689 1.00 0.00 WT1 H ATOM 25230 H2 TIP3 8678 89.836 43.660 -12.823 1.00 0.00 WT1 H ATOM 25231 OH2 TIP3 8679 44.367 10.445 -7.923 1.00 0.00 WT1 O ATOM 25232 H1 TIP3 8679 43.972 9.853 -8.563 1.00 0.00 WT1 H ATOM 25233 H2 TIP3 8679 43.670 11.065 -7.707 1.00 0.00 WT1 H ATOM 25234 OH2 TIP3 8680 65.262 46.260 -14.140 1.00 0.00 WT1 O ATOM 25235 H1 TIP3 8680 65.198 45.858 -13.273 1.00 0.00 WT1 H ATOM 25236 H2 TIP3 8680 65.225 47.201 -13.971 1.00 0.00 WT1 H ATOM 25237 OH2 TIP3 8681 83.403 13.042 -7.993 1.00 0.00 WT1 O ATOM 25238 H1 TIP3 8681 83.717 13.120 -7.093 1.00 0.00 WT1 H ATOM 25239 H2 TIP3 8681 82.487 13.318 -7.953 1.00 0.00 WT1 H ATOM 25240 OH2 TIP3 8682 82.395 46.445 -16.781 1.00 0.00 WT1 O ATOM 25241 H1 TIP3 8682 81.586 46.901 -16.548 1.00 0.00 WT1 H ATOM 25242 H2 TIP3 8682 82.109 45.715 -17.331 1.00 0.00 WT1 H ATOM 25243 OH2 TIP3 8683 33.278 44.541 -19.495 1.00 0.00 WT1 O ATOM 25244 H1 TIP3 8683 33.283 43.818 -18.867 1.00 0.00 WT1 H ATOM 25245 H2 TIP3 8683 32.864 45.264 -19.024 1.00 0.00 WT1 H ATOM 25246 OH2 TIP3 8684 24.116 39.285 50.485 1.00 0.00 WT1 O ATOM 25247 H1 TIP3 8684 24.457 39.214 49.594 1.00 0.00 WT1 H ATOM 25248 H2 TIP3 8684 24.416 38.487 50.921 1.00 0.00 WT1 H ATOM 25249 OH2 TIP3 8685 31.336 87.097 -3.482 1.00 0.00 WT1 O ATOM 25250 H1 TIP3 8685 31.921 87.082 -4.240 1.00 0.00 WT1 H ATOM 25251 H2 TIP3 8685 31.920 87.197 -2.730 1.00 0.00 WT1 H ATOM 25252 OH2 TIP3 8686 74.275 6.546 -7.268 1.00 0.00 WT1 O ATOM 25253 H1 TIP3 8686 73.561 6.019 -7.626 1.00 0.00 WT1 H ATOM 25254 H2 TIP3 8686 74.926 6.575 -7.969 1.00 0.00 WT1 H ATOM 25255 OH2 TIP3 8687 41.045 57.582 -1.196 1.00 0.00 WT1 O ATOM 25256 H1 TIP3 8687 41.961 57.522 -1.467 1.00 0.00 WT1 H ATOM 25257 H2 TIP3 8687 41.020 58.325 -0.594 1.00 0.00 WT1 H ATOM 25258 OH2 TIP3 8688 85.684 56.217 27.924 1.00 0.00 WT1 O ATOM 25259 H1 TIP3 8688 86.620 56.230 28.124 1.00 0.00 WT1 H ATOM 25260 H2 TIP3 8688 85.631 55.834 27.048 1.00 0.00 WT1 H ATOM 25261 OH2 TIP3 8690 77.322 59.224 40.760 1.00 0.00 WT1 O ATOM 25262 H1 TIP3 8690 77.819 60.042 40.757 1.00 0.00 WT1 H ATOM 25263 H2 TIP3 8690 76.414 59.495 40.896 1.00 0.00 WT1 H ATOM 25264 OH2 TIP3 8691 67.666 86.053 63.878 1.00 0.00 WT1 O ATOM 25265 H1 TIP3 8691 68.399 85.545 64.225 1.00 0.00 WT1 H ATOM 25266 H2 TIP3 8691 68.059 86.878 63.593 1.00 0.00 WT1 H ATOM 25267 OH2 TIP3 8692 79.495 84.941 2.536 1.00 0.00 WT1 O ATOM 25268 H1 TIP3 8692 78.777 84.698 3.121 1.00 0.00 WT1 H ATOM 25269 H2 TIP3 8692 79.376 85.879 2.388 1.00 0.00 WT1 H ATOM 25270 OH2 TIP3 8693 64.300 29.540 -6.341 1.00 0.00 WT1 O ATOM 25271 H1 TIP3 8693 64.978 30.060 -5.909 1.00 0.00 WT1 H ATOM 25272 H2 TIP3 8693 63.737 29.239 -5.627 1.00 0.00 WT1 H ATOM 25273 OH2 TIP3 8694 88.488 35.353 64.324 1.00 0.00 WT1 O ATOM 25274 H1 TIP3 8694 88.619 35.830 65.144 1.00 0.00 WT1 H ATOM 25275 H2 TIP3 8694 89.102 35.757 63.711 1.00 0.00 WT1 H ATOM 25276 OH2 TIP3 8695 67.383 92.678 19.152 1.00 0.00 WT1 O ATOM 25277 H1 TIP3 8695 66.698 93.339 19.256 1.00 0.00 WT1 H ATOM 25278 H2 TIP3 8695 68.201 93.175 19.170 1.00 0.00 WT1 H ATOM 25279 OH2 TIP3 8696 70.843 72.631 -10.152 1.00 0.00 WT1 O ATOM 25280 H1 TIP3 8696 70.126 72.885 -10.732 1.00 0.00 WT1 H ATOM 25281 H2 TIP3 8696 70.950 73.376 -9.561 1.00 0.00 WT1 H ATOM 25282 OH2 TIP3 8697 38.769 51.997 27.531 1.00 0.00 WT1 O ATOM 25283 H1 TIP3 8697 39.710 52.157 27.606 1.00 0.00 WT1 H ATOM 25284 H2 TIP3 8697 38.448 52.022 28.432 1.00 0.00 WT1 H ATOM 25285 OH2 TIP3 8698 81.472 3.943 45.901 1.00 0.00 WT1 O ATOM 25286 H1 TIP3 8698 81.374 3.061 45.543 1.00 0.00 WT1 H ATOM 25287 H2 TIP3 8698 80.849 4.475 45.406 1.00 0.00 WT1 H ATOM 25288 OH2 TIP3 8699 41.177 46.684 64.008 1.00 0.00 WT1 O ATOM 25289 H1 TIP3 8699 41.610 47.213 63.338 1.00 0.00 WT1 H ATOM 25290 H2 TIP3 8699 41.467 47.063 64.838 1.00 0.00 WT1 H ATOM 25291 OH2 TIP3 8700 27.248 47.679 62.221 1.00 0.00 WT1 O ATOM 25292 H1 TIP3 8700 28.091 47.687 61.768 1.00 0.00 WT1 H ATOM 25293 H2 TIP3 8700 26.614 47.939 61.553 1.00 0.00 WT1 H ATOM 25294 OH2 TIP3 8702 83.078 94.706 -16.374 1.00 0.00 WT1 O ATOM 25295 H1 TIP3 8702 83.806 95.121 -15.912 1.00 0.00 WT1 H ATOM 25296 H2 TIP3 8702 83.365 93.803 -16.514 1.00 0.00 WT1 H ATOM 25297 OH2 TIP3 8703 28.646 54.974 59.373 1.00 0.00 WT1 O ATOM 25298 H1 TIP3 8703 28.536 55.879 59.083 1.00 0.00 WT1 H ATOM 25299 H2 TIP3 8703 27.968 54.852 60.038 1.00 0.00 WT1 H ATOM 25300 OH2 TIP3 8704 24.115 48.452 12.962 1.00 0.00 WT1 O ATOM 25301 H1 TIP3 8704 24.518 48.514 13.828 1.00 0.00 WT1 H ATOM 25302 H2 TIP3 8704 24.455 47.635 12.596 1.00 0.00 WT1 H ATOM 25303 OH2 TIP3 8706 80.567 75.938 43.631 1.00 0.00 WT1 O ATOM 25304 H1 TIP3 8706 80.538 75.502 42.780 1.00 0.00 WT1 H ATOM 25305 H2 TIP3 8706 81.442 75.747 43.969 1.00 0.00 WT1 H ATOM 25306 OH2 TIP3 8707 85.254 73.375 1.697 1.00 0.00 WT1 O ATOM 25307 H1 TIP3 8707 85.082 73.452 0.758 1.00 0.00 WT1 H ATOM 25308 H2 TIP3 8707 86.196 73.218 1.756 1.00 0.00 WT1 H ATOM 25309 OH2 TIP3 8708 59.170 46.899 62.784 1.00 0.00 WT1 O ATOM 25310 H1 TIP3 8708 59.537 46.096 63.153 1.00 0.00 WT1 H ATOM 25311 H2 TIP3 8708 58.999 47.456 63.544 1.00 0.00 WT1 H ATOM 25312 OH2 TIP3 8709 29.731 56.009 36.539 1.00 0.00 WT1 O ATOM 25313 H1 TIP3 8709 30.388 56.270 35.894 1.00 0.00 WT1 H ATOM 25314 H2 TIP3 8709 28.906 56.004 36.054 1.00 0.00 WT1 H ATOM 25315 OH2 TIP3 8710 69.106 46.930 63.664 1.00 0.00 WT1 O ATOM 25316 H1 TIP3 8710 69.173 47.205 62.749 1.00 0.00 WT1 H ATOM 25317 H2 TIP3 8710 69.026 47.747 64.155 1.00 0.00 WT1 H ATOM 25318 OH2 TIP3 8711 20.333 30.579 20.741 1.00 0.00 WT1 O ATOM 25319 H1 TIP3 8711 20.234 31.280 20.096 1.00 0.00 WT1 H ATOM 25320 H2 TIP3 8711 21.139 30.131 20.487 1.00 0.00 WT1 H ATOM 25321 OH2 TIP3 8712 49.856 56.047 22.747 1.00 0.00 WT1 O ATOM 25322 H1 TIP3 8712 49.922 55.995 21.794 1.00 0.00 WT1 H ATOM 25323 H2 TIP3 8712 49.577 56.946 22.919 1.00 0.00 WT1 H ATOM 25324 OH2 TIP3 8713 53.790 38.475 13.339 1.00 0.00 WT1 O ATOM 25325 H1 TIP3 8713 54.066 39.087 14.022 1.00 0.00 WT1 H ATOM 25326 H2 TIP3 8713 53.204 37.865 13.786 1.00 0.00 WT1 H ATOM 25327 OH2 TIP3 8714 55.032 34.589 44.147 1.00 0.00 WT1 O ATOM 25328 H1 TIP3 8714 54.891 34.730 43.210 1.00 0.00 WT1 H ATOM 25329 H2 TIP3 8714 55.760 35.169 44.370 1.00 0.00 WT1 H ATOM 25330 OH2 TIP3 8715 54.998 34.893 7.956 1.00 0.00 WT1 O ATOM 25331 H1 TIP3 8715 54.945 34.966 8.909 1.00 0.00 WT1 H ATOM 25332 H2 TIP3 8715 54.237 34.367 7.712 1.00 0.00 WT1 H ATOM 25333 OH2 TIP3 8716 29.632 28.442 16.487 1.00 0.00 WT1 O ATOM 25334 H1 TIP3 8716 29.962 28.436 15.589 1.00 0.00 WT1 H ATOM 25335 H2 TIP3 8716 29.068 27.671 16.541 1.00 0.00 WT1 H ATOM 25336 OH2 TIP3 8717 70.392 30.061 12.071 1.00 0.00 WT1 O ATOM 25337 H1 TIP3 8717 70.675 29.980 11.160 1.00 0.00 WT1 H ATOM 25338 H2 TIP3 8717 69.459 30.265 12.016 1.00 0.00 WT1 H ATOM 25339 OH2 TIP3 8718 52.430 42.682 60.584 1.00 0.00 WT1 O ATOM 25340 H1 TIP3 8718 52.387 43.584 60.267 1.00 0.00 WT1 H ATOM 25341 H2 TIP3 8718 53.207 42.661 61.143 1.00 0.00 WT1 H ATOM 25342 OH2 TIP3 8719 37.741 71.629 32.219 1.00 0.00 WT1 O ATOM 25343 H1 TIP3 8719 38.587 72.054 32.358 1.00 0.00 WT1 H ATOM 25344 H2 TIP3 8719 37.899 71.006 31.510 1.00 0.00 WT1 H ATOM 25345 OH2 TIP3 8720 83.303 52.986 -5.668 1.00 0.00 WT1 O ATOM 25346 H1 TIP3 8720 84.010 52.343 -5.713 1.00 0.00 WT1 H ATOM 25347 H2 TIP3 8720 83.150 53.111 -4.732 1.00 0.00 WT1 H ATOM 25348 OH2 TIP3 8721 21.478 87.790 43.636 1.00 0.00 WT1 O ATOM 25349 H1 TIP3 8721 21.029 88.422 43.074 1.00 0.00 WT1 H ATOM 25350 H2 TIP3 8721 22.325 87.652 43.212 1.00 0.00 WT1 H ATOM 25351 OH2 TIP3 8722 41.384 76.329 -4.557 1.00 0.00 WT1 O ATOM 25352 H1 TIP3 8722 41.194 75.417 -4.335 1.00 0.00 WT1 H ATOM 25353 H2 TIP3 8722 42.187 76.530 -4.078 1.00 0.00 WT1 H ATOM 25354 OH2 TIP3 8723 81.260 72.097 46.236 1.00 0.00 WT1 O ATOM 25355 H1 TIP3 8723 81.943 72.537 45.731 1.00 0.00 WT1 H ATOM 25356 H2 TIP3 8723 81.604 71.217 46.389 1.00 0.00 WT1 H ATOM 25357 OH2 TIP3 8724 49.589 62.682 9.618 1.00 0.00 WT1 O ATOM 25358 H1 TIP3 8724 50.457 62.555 10.000 1.00 0.00 WT1 H ATOM 25359 H2 TIP3 8724 49.001 62.738 10.372 1.00 0.00 WT1 H ATOM 25360 OH2 TIP3 8725 52.234 71.278 6.543 1.00 0.00 WT1 O ATOM 25361 H1 TIP3 8725 52.726 71.776 7.196 1.00 0.00 WT1 H ATOM 25362 H2 TIP3 8725 51.688 70.682 7.057 1.00 0.00 WT1 H ATOM 25363 OH2 TIP3 8726 85.637 64.286 23.816 1.00 0.00 WT1 O ATOM 25364 H1 TIP3 8726 84.776 63.923 24.022 1.00 0.00 WT1 H ATOM 25365 H2 TIP3 8726 85.930 64.688 24.633 1.00 0.00 WT1 H ATOM 25366 OH2 TIP3 8727 41.395 52.972 28.390 1.00 0.00 WT1 O ATOM 25367 H1 TIP3 8727 41.280 53.668 29.037 1.00 0.00 WT1 H ATOM 25368 H2 TIP3 8727 42.343 52.897 28.284 1.00 0.00 WT1 H ATOM 25369 OH2 TIP3 8728 76.075 9.687 59.647 1.00 0.00 WT1 O ATOM 25370 H1 TIP3 8728 75.540 8.893 59.672 1.00 0.00 WT1 H ATOM 25371 H2 TIP3 8728 76.515 9.653 58.798 1.00 0.00 WT1 H ATOM 25372 OH2 TIP3 8729 25.494 87.984 21.091 1.00 0.00 WT1 O ATOM 25373 H1 TIP3 8729 25.847 87.609 21.898 1.00 0.00 WT1 H ATOM 25374 H2 TIP3 8729 26.010 87.581 20.393 1.00 0.00 WT1 H ATOM 25375 OH2 TIP3 8730 35.769 29.790 55.090 1.00 0.00 WT1 O ATOM 25376 H1 TIP3 8730 36.646 30.163 55.171 1.00 0.00 WT1 H ATOM 25377 H2 TIP3 8730 35.563 29.859 54.157 1.00 0.00 WT1 H ATOM 25378 OH2 TIP3 8731 23.286 66.328 15.330 1.00 0.00 WT1 O ATOM 25379 H1 TIP3 8731 23.775 67.059 15.705 1.00 0.00 WT1 H ATOM 25380 H2 TIP3 8731 23.790 65.551 15.572 1.00 0.00 WT1 H ATOM 25381 OH2 TIP3 8732 29.171 50.701 10.738 1.00 0.00 WT1 O ATOM 25382 H1 TIP3 8732 29.200 50.942 11.664 1.00 0.00 WT1 H ATOM 25383 H2 TIP3 8732 29.634 51.409 10.291 1.00 0.00 WT1 H ATOM 25384 OH2 TIP3 8733 73.049 52.286 13.905 1.00 0.00 WT1 O ATOM 25385 H1 TIP3 8733 73.449 51.809 14.632 1.00 0.00 WT1 H ATOM 25386 H2 TIP3 8733 73.069 51.670 13.173 1.00 0.00 WT1 H ATOM 25387 OH2 TIP3 8734 62.481 71.439 50.410 1.00 0.00 WT1 O ATOM 25388 H1 TIP3 8734 62.853 70.561 50.491 1.00 0.00 WT1 H ATOM 25389 H2 TIP3 8734 62.895 71.940 51.113 1.00 0.00 WT1 H ATOM 25390 OH2 TIP3 8735 20.893 85.334 -12.513 1.00 0.00 WT1 O ATOM 25391 H1 TIP3 8735 21.326 84.719 -13.105 1.00 0.00 WT1 H ATOM 25392 H2 TIP3 8735 20.595 84.794 -11.781 1.00 0.00 WT1 H ATOM 25393 OH2 TIP3 8736 68.189 48.796 1.845 1.00 0.00 WT1 O ATOM 25394 H1 TIP3 8736 68.322 49.266 2.668 1.00 0.00 WT1 H ATOM 25395 H2 TIP3 8736 67.238 48.744 1.750 1.00 0.00 WT1 H ATOM 25396 OH2 TIP3 8737 24.384 40.975 8.292 1.00 0.00 WT1 O ATOM 25397 H1 TIP3 8737 24.605 41.292 9.168 1.00 0.00 WT1 H ATOM 25398 H2 TIP3 8737 23.595 41.461 8.053 1.00 0.00 WT1 H ATOM 25399 OH2 TIP3 8738 80.906 48.768 64.107 1.00 0.00 WT1 O ATOM 25400 H1 TIP3 8738 80.712 47.835 64.202 1.00 0.00 WT1 H ATOM 25401 H2 TIP3 8738 81.508 48.962 64.826 1.00 0.00 WT1 H ATOM 25402 OH2 TIP3 8739 58.754 50.884 0.744 1.00 0.00 WT1 O ATOM 25403 H1 TIP3 8739 58.624 51.582 1.386 1.00 0.00 WT1 H ATOM 25404 H2 TIP3 8739 57.906 50.441 0.696 1.00 0.00 WT1 H ATOM 25405 OH2 TIP3 8740 41.574 24.243 -11.944 1.00 0.00 WT1 O ATOM 25406 H1 TIP3 8740 41.432 25.115 -12.313 1.00 0.00 WT1 H ATOM 25407 H2 TIP3 8740 42.119 23.795 -12.590 1.00 0.00 WT1 H ATOM 25408 OH2 TIP3 8741 22.130 46.404 -5.188 1.00 0.00 WT1 O ATOM 25409 H1 TIP3 8741 22.610 46.975 -4.589 1.00 0.00 WT1 H ATOM 25410 H2 TIP3 8741 21.340 46.898 -5.409 1.00 0.00 WT1 H ATOM 25411 OH2 TIP3 8742 56.202 79.901 -0.113 1.00 0.00 WT1 O ATOM 25412 H1 TIP3 8742 55.372 79.887 -0.589 1.00 0.00 WT1 H ATOM 25413 H2 TIP3 8742 56.713 79.192 -0.503 1.00 0.00 WT1 H ATOM 25414 OH2 TIP3 8743 23.109 34.382 41.134 1.00 0.00 WT1 O ATOM 25415 H1 TIP3 8743 22.960 34.305 40.191 1.00 0.00 WT1 H ATOM 25416 H2 TIP3 8743 24.062 34.357 41.229 1.00 0.00 WT1 H ATOM 25417 OH2 TIP3 8744 76.045 37.178 8.075 1.00 0.00 WT1 O ATOM 25418 H1 TIP3 8744 75.225 36.773 7.793 1.00 0.00 WT1 H ATOM 25419 H2 TIP3 8744 76.079 38.007 7.598 1.00 0.00 WT1 H ATOM 25420 OH2 TIP3 8745 83.164 82.085 37.428 1.00 0.00 WT1 O ATOM 25421 H1 TIP3 8745 83.433 81.535 38.163 1.00 0.00 WT1 H ATOM 25422 H2 TIP3 8745 82.717 81.486 36.830 1.00 0.00 WT1 H ATOM 25423 OH2 TIP3 8746 57.111 53.779 -14.728 1.00 0.00 WT1 O ATOM 25424 H1 TIP3 8746 57.374 53.780 -13.808 1.00 0.00 WT1 H ATOM 25425 H2 TIP3 8746 57.605 53.059 -15.119 1.00 0.00 WT1 H ATOM 25426 OH2 TIP3 8747 88.482 52.967 57.330 1.00 0.00 WT1 O ATOM 25427 H1 TIP3 8747 88.070 52.561 56.567 1.00 0.00 WT1 H ATOM 25428 H2 TIP3 8747 89.272 53.383 56.983 1.00 0.00 WT1 H ATOM 25429 OH2 TIP3 8748 38.406 6.641 25.110 1.00 0.00 WT1 O ATOM 25430 H1 TIP3 8748 38.601 5.957 25.752 1.00 0.00 WT1 H ATOM 25431 H2 TIP3 8748 38.921 7.394 25.399 1.00 0.00 WT1 H ATOM 25432 OH2 TIP3 8749 66.925 96.122 -17.425 1.00 0.00 WT1 O ATOM 25433 H1 TIP3 8749 66.315 95.927 -16.713 1.00 0.00 WT1 H ATOM 25434 H2 TIP3 8749 67.725 96.408 -16.984 1.00 0.00 WT1 H ATOM 25435 OH2 TIP3 8750 66.869 68.560 20.931 1.00 0.00 WT1 O ATOM 25436 H1 TIP3 8750 66.873 68.828 20.012 1.00 0.00 WT1 H ATOM 25437 H2 TIP3 8750 66.250 67.831 20.965 1.00 0.00 WT1 H ATOM 25438 OH2 TIP3 8751 35.609 71.586 53.958 1.00 0.00 WT1 O ATOM 25439 H1 TIP3 8751 34.833 72.129 54.095 1.00 0.00 WT1 H ATOM 25440 H2 TIP3 8751 35.884 71.782 53.062 1.00 0.00 WT1 H ATOM 25441 OH2 TIP3 8752 79.330 79.011 -5.722 1.00 0.00 WT1 O ATOM 25442 H1 TIP3 8752 79.723 79.771 -6.150 1.00 0.00 WT1 H ATOM 25443 H2 TIP3 8752 79.154 78.397 -6.435 1.00 0.00 WT1 H ATOM 25444 OH2 TIP3 8753 52.912 84.634 40.404 1.00 0.00 WT1 O ATOM 25445 H1 TIP3 8753 52.123 85.176 40.394 1.00 0.00 WT1 H ATOM 25446 H2 TIP3 8753 53.342 84.820 39.570 1.00 0.00 WT1 H ATOM 25447 OH2 TIP3 8754 24.321 21.576 -5.462 1.00 0.00 WT1 O ATOM 25448 H1 TIP3 8754 24.613 21.958 -4.635 1.00 0.00 WT1 H ATOM 25449 H2 TIP3 8754 25.106 21.561 -6.010 1.00 0.00 WT1 H ATOM 25450 OH2 TIP3 8755 84.987 40.992 5.148 1.00 0.00 WT1 O ATOM 25451 H1 TIP3 8755 85.939 40.924 5.220 1.00 0.00 WT1 H ATOM 25452 H2 TIP3 8755 84.689 41.152 6.043 1.00 0.00 WT1 H ATOM 25453 OH2 TIP3 8756 39.053 34.297 55.238 1.00 0.00 WT1 O ATOM 25454 H1 TIP3 8756 38.589 33.479 55.414 1.00 0.00 WT1 H ATOM 25455 H2 TIP3 8756 39.539 34.128 54.430 1.00 0.00 WT1 H ATOM 25456 OH2 TIP3 8757 50.529 30.079 32.035 1.00 0.00 WT1 O ATOM 25457 H1 TIP3 8757 50.793 29.947 31.125 1.00 0.00 WT1 H ATOM 25458 H2 TIP3 8757 50.232 30.988 32.070 1.00 0.00 WT1 H ATOM 25459 OH2 TIP3 8758 45.850 18.243 53.499 1.00 0.00 WT1 O ATOM 25460 H1 TIP3 8758 46.682 18.681 53.678 1.00 0.00 WT1 H ATOM 25461 H2 TIP3 8758 45.911 17.978 52.582 1.00 0.00 WT1 H ATOM 25462 OH2 TIP3 8759 26.022 73.368 34.292 1.00 0.00 WT1 O ATOM 25463 H1 TIP3 8759 26.820 73.452 34.814 1.00 0.00 WT1 H ATOM 25464 H2 TIP3 8759 26.012 74.151 33.741 1.00 0.00 WT1 H ATOM 25465 OH2 TIP3 8760 83.326 56.721 -0.332 1.00 0.00 WT1 O ATOM 25466 H1 TIP3 8760 83.481 57.664 -0.274 1.00 0.00 WT1 H ATOM 25467 H2 TIP3 8760 82.802 56.613 -1.126 1.00 0.00 WT1 H ATOM 25468 OH2 TIP3 8761 78.699 82.521 22.974 1.00 0.00 WT1 O ATOM 25469 H1 TIP3 8761 78.518 81.631 22.671 1.00 0.00 WT1 H ATOM 25470 H2 TIP3 8761 79.419 82.822 22.420 1.00 0.00 WT1 H ATOM 25471 OH2 TIP3 8762 33.929 84.713 15.963 1.00 0.00 WT1 O ATOM 25472 H1 TIP3 8762 33.986 83.925 15.423 1.00 0.00 WT1 H ATOM 25473 H2 TIP3 8762 33.374 85.309 15.460 1.00 0.00 WT1 H ATOM 25474 OH2 TIP3 8763 37.394 66.827 11.719 1.00 0.00 WT1 O ATOM 25475 H1 TIP3 8763 37.537 66.115 12.342 1.00 0.00 WT1 H ATOM 25476 H2 TIP3 8763 37.557 66.432 10.862 1.00 0.00 WT1 H ATOM 25477 OH2 TIP3 8764 72.485 45.766 43.957 1.00 0.00 WT1 O ATOM 25478 H1 TIP3 8764 72.397 46.707 43.808 1.00 0.00 WT1 H ATOM 25479 H2 TIP3 8764 72.873 45.430 43.149 1.00 0.00 WT1 H ATOM 25480 OH2 TIP3 8765 42.924 78.454 -19.773 1.00 0.00 WT1 O ATOM 25481 H1 TIP3 8765 42.518 78.749 -20.588 1.00 0.00 WT1 H ATOM 25482 H2 TIP3 8765 43.224 79.258 -19.350 1.00 0.00 WT1 H ATOM 25483 OH2 TIP3 8766 60.890 23.025 45.543 1.00 0.00 WT1 O ATOM 25484 H1 TIP3 8766 60.546 22.696 44.712 1.00 0.00 WT1 H ATOM 25485 H2 TIP3 8766 60.120 23.342 46.014 1.00 0.00 WT1 H ATOM 25486 OH2 TIP3 8767 81.400 16.352 -10.753 1.00 0.00 WT1 O ATOM 25487 H1 TIP3 8767 80.455 16.305 -10.607 1.00 0.00 WT1 H ATOM 25488 H2 TIP3 8767 81.534 15.929 -11.601 1.00 0.00 WT1 H ATOM 25489 OH2 TIP3 8768 58.862 71.917 54.389 1.00 0.00 WT1 O ATOM 25490 H1 TIP3 8768 58.899 71.013 54.700 1.00 0.00 WT1 H ATOM 25491 H2 TIP3 8768 59.508 71.956 53.684 1.00 0.00 WT1 H ATOM 25492 OH2 TIP3 8769 72.821 66.716 -6.539 1.00 0.00 WT1 O ATOM 25493 H1 TIP3 8769 73.000 65.891 -6.088 1.00 0.00 WT1 H ATOM 25494 H2 TIP3 8769 71.873 66.827 -6.468 1.00 0.00 WT1 H ATOM 25495 OH2 TIP3 8770 31.663 48.400 37.972 1.00 0.00 WT1 O ATOM 25496 H1 TIP3 8770 31.180 48.013 37.242 1.00 0.00 WT1 H ATOM 25497 H2 TIP3 8770 31.940 49.258 37.648 1.00 0.00 WT1 H ATOM 25498 OH2 TIP3 8771 47.504 45.226 5.676 1.00 0.00 WT1 O ATOM 25499 H1 TIP3 8771 48.398 45.463 5.924 1.00 0.00 WT1 H ATOM 25500 H2 TIP3 8771 47.259 44.535 6.291 1.00 0.00 WT1 H ATOM 25501 OH2 TIP3 8772 43.892 82.927 47.781 1.00 0.00 WT1 O ATOM 25502 H1 TIP3 8772 43.399 82.695 46.994 1.00 0.00 WT1 H ATOM 25503 H2 TIP3 8772 44.358 82.125 48.018 1.00 0.00 WT1 H ATOM 25504 OH2 TIP3 8773 62.331 86.404 48.465 1.00 0.00 WT1 O ATOM 25505 H1 TIP3 8773 61.666 86.041 47.879 1.00 0.00 WT1 H ATOM 25506 H2 TIP3 8773 63.149 85.998 48.179 1.00 0.00 WT1 H ATOM 25507 OH2 TIP3 8774 21.317 69.978 1.397 1.00 0.00 WT1 O ATOM 25508 H1 TIP3 8774 21.853 70.318 0.680 1.00 0.00 WT1 H ATOM 25509 H2 TIP3 8774 21.888 69.358 1.851 1.00 0.00 WT1 H ATOM 25510 OH2 TIP3 8775 34.464 56.492 52.335 1.00 0.00 WT1 O ATOM 25511 H1 TIP3 8775 34.899 57.154 52.873 1.00 0.00 WT1 H ATOM 25512 H2 TIP3 8775 33.905 56.015 52.948 1.00 0.00 WT1 H ATOM 25513 OH2 TIP3 8776 54.354 40.719 30.918 1.00 0.00 WT1 O ATOM 25514 H1 TIP3 8776 55.205 40.781 30.485 1.00 0.00 WT1 H ATOM 25515 H2 TIP3 8776 53.976 39.904 30.588 1.00 0.00 WT1 H ATOM 25516 OH2 TIP3 8777 22.051 42.780 40.887 1.00 0.00 WT1 O ATOM 25517 H1 TIP3 8777 22.772 43.341 40.600 1.00 0.00 WT1 H ATOM 25518 H2 TIP3 8777 21.360 43.390 41.144 1.00 0.00 WT1 H ATOM 25519 OH2 TIP3 8778 32.500 94.221 18.289 1.00 0.00 WT1 O ATOM 25520 H1 TIP3 8778 32.345 94.219 19.234 1.00 0.00 WT1 H ATOM 25521 H2 TIP3 8778 32.927 93.382 18.115 1.00 0.00 WT1 H ATOM 25522 OH2 TIP3 8779 40.678 14.648 -13.197 1.00 0.00 WT1 O ATOM 25523 H1 TIP3 8779 40.629 13.697 -13.098 1.00 0.00 WT1 H ATOM 25524 H2 TIP3 8779 39.846 14.969 -12.850 1.00 0.00 WT1 H ATOM 25525 OH2 TIP3 8780 84.686 70.849 53.526 1.00 0.00 WT1 O ATOM 25526 H1 TIP3 8780 85.234 71.462 54.016 1.00 0.00 WT1 H ATOM 25527 H2 TIP3 8780 84.865 71.049 52.607 1.00 0.00 WT1 H ATOM 25528 OH2 TIP3 8781 82.068 42.826 19.805 1.00 0.00 WT1 O ATOM 25529 H1 TIP3 8781 82.830 43.382 19.640 1.00 0.00 WT1 H ATOM 25530 H2 TIP3 8781 81.321 43.349 19.514 1.00 0.00 WT1 H ATOM 25531 OH2 TIP3 8782 56.313 6.220 25.359 1.00 0.00 WT1 O ATOM 25532 H1 TIP3 8782 55.812 6.516 26.119 1.00 0.00 WT1 H ATOM 25533 H2 TIP3 8782 56.912 6.942 25.170 1.00 0.00 WT1 H ATOM 25534 OH2 TIP3 8783 77.002 49.416 29.666 1.00 0.00 WT1 O ATOM 25535 H1 TIP3 8783 77.488 49.528 30.483 1.00 0.00 WT1 H ATOM 25536 H2 TIP3 8783 77.674 49.214 29.014 1.00 0.00 WT1 H ATOM 25537 OH2 TIP3 8784 33.453 20.927 3.157 1.00 0.00 WT1 O ATOM 25538 H1 TIP3 8784 33.087 20.628 3.990 1.00 0.00 WT1 H ATOM 25539 H2 TIP3 8784 32.702 20.965 2.565 1.00 0.00 WT1 H ATOM 25540 OH2 TIP3 8785 71.575 19.208 -16.460 1.00 0.00 WT1 O ATOM 25541 H1 TIP3 8785 71.691 20.085 -16.092 1.00 0.00 WT1 H ATOM 25542 H2 TIP3 8785 71.405 18.650 -15.701 1.00 0.00 WT1 H ATOM 25543 OH2 TIP3 8786 56.273 65.272 63.608 1.00 0.00 WT1 O ATOM 25544 H1 TIP3 8786 55.607 64.585 63.622 1.00 0.00 WT1 H ATOM 25545 H2 TIP3 8786 56.029 65.828 62.868 1.00 0.00 WT1 H ATOM 25546 OH2 TIP3 8787 73.992 26.813 28.474 1.00 0.00 WT1 O ATOM 25547 H1 TIP3 8787 74.487 27.382 29.064 1.00 0.00 WT1 H ATOM 25548 H2 TIP3 8787 74.438 26.896 27.631 1.00 0.00 WT1 H ATOM 25549 OH2 TIP3 8788 71.992 14.896 37.841 1.00 0.00 WT1 O ATOM 25550 H1 TIP3 8788 72.154 13.979 38.065 1.00 0.00 WT1 H ATOM 25551 H2 TIP3 8788 71.472 15.233 38.570 1.00 0.00 WT1 H ATOM 25552 OH2 TIP3 8789 85.727 54.684 -10.756 1.00 0.00 WT1 O ATOM 25553 H1 TIP3 8789 85.957 55.613 -10.750 1.00 0.00 WT1 H ATOM 25554 H2 TIP3 8789 86.518 54.243 -11.066 1.00 0.00 WT1 H ATOM 25555 OH2 TIP3 8790 72.742 28.276 32.606 1.00 0.00 WT1 O ATOM 25556 H1 TIP3 8790 72.241 27.940 31.863 1.00 0.00 WT1 H ATOM 25557 H2 TIP3 8790 73.473 28.748 32.209 1.00 0.00 WT1 H ATOM 25558 OH2 TIP3 8791 52.402 60.470 17.881 1.00 0.00 WT1 O ATOM 25559 H1 TIP3 8791 52.538 59.616 18.292 1.00 0.00 WT1 H ATOM 25560 H2 TIP3 8791 51.750 60.306 17.199 1.00 0.00 WT1 H ATOM 25561 OH2 TIP3 8793 25.142 79.720 30.640 1.00 0.00 WT1 O ATOM 25562 H1 TIP3 8793 25.853 79.434 30.067 1.00 0.00 WT1 H ATOM 25563 H2 TIP3 8793 24.742 80.456 30.178 1.00 0.00 WT1 H ATOM 25564 OH2 TIP3 8794 65.229 52.988 66.208 1.00 0.00 WT1 O ATOM 25565 H1 TIP3 8794 64.539 52.427 66.562 1.00 0.00 WT1 H ATOM 25566 H2 TIP3 8794 64.761 53.727 65.819 1.00 0.00 WT1 H ATOM 25567 OH2 TIP3 8795 80.169 78.949 3.361 1.00 0.00 WT1 O ATOM 25568 H1 TIP3 8795 80.335 78.115 3.800 1.00 0.00 WT1 H ATOM 25569 H2 TIP3 8795 79.567 79.412 3.943 1.00 0.00 WT1 H ATOM 25570 OH2 TIP3 8797 66.403 45.360 10.820 1.00 0.00 WT1 O ATOM 25571 H1 TIP3 8797 65.546 45.532 11.208 1.00 0.00 WT1 H ATOM 25572 H2 TIP3 8797 66.922 44.993 11.536 1.00 0.00 WT1 H ATOM 25573 OH2 TIP3 8798 34.792 94.213 -8.009 1.00 0.00 WT1 O ATOM 25574 H1 TIP3 8798 35.744 94.223 -8.111 1.00 0.00 WT1 H ATOM 25575 H2 TIP3 8798 34.509 95.075 -8.313 1.00 0.00 WT1 H ATOM 25576 OH2 TIP3 8799 42.913 42.614 52.015 1.00 0.00 WT1 O ATOM 25577 H1 TIP3 8799 41.963 42.711 52.072 1.00 0.00 WT1 H ATOM 25578 H2 TIP3 8799 43.205 43.385 51.528 1.00 0.00 WT1 H ATOM 25579 OH2 TIP3 8800 85.595 18.553 48.854 1.00 0.00 WT1 O ATOM 25580 H1 TIP3 8800 84.776 18.879 48.481 1.00 0.00 WT1 H ATOM 25581 H2 TIP3 8800 85.843 17.823 48.286 1.00 0.00 WT1 H ATOM 25582 OH2 TIP3 8801 42.426 12.760 -10.434 1.00 0.00 WT1 O ATOM 25583 H1 TIP3 8801 42.540 12.778 -9.484 1.00 0.00 WT1 H ATOM 25584 H2 TIP3 8801 42.258 13.671 -10.674 1.00 0.00 WT1 H ATOM 25585 OH2 TIP3 8802 46.389 30.921 66.115 1.00 0.00 WT1 O ATOM 25586 H1 TIP3 8802 46.502 30.316 66.848 1.00 0.00 WT1 H ATOM 25587 H2 TIP3 8802 45.872 31.641 66.476 1.00 0.00 WT1 H ATOM 25588 OH2 TIP3 8803 58.179 8.661 25.724 1.00 0.00 WT1 O ATOM 25589 H1 TIP3 8803 57.743 9.263 26.326 1.00 0.00 WT1 H ATOM 25590 H2 TIP3 8803 58.528 9.224 25.032 1.00 0.00 WT1 H ATOM 25591 OH2 TIP3 8804 69.049 69.675 -1.782 1.00 0.00 WT1 O ATOM 25592 H1 TIP3 8804 69.375 69.312 -0.959 1.00 0.00 WT1 H ATOM 25593 H2 TIP3 8804 68.263 69.164 -1.975 1.00 0.00 WT1 H ATOM 25594 OH2 TIP3 8805 79.694 15.975 47.062 1.00 0.00 WT1 O ATOM 25595 H1 TIP3 8805 80.152 16.120 46.234 1.00 0.00 WT1 H ATOM 25596 H2 TIP3 8805 78.766 15.985 46.828 1.00 0.00 WT1 H ATOM 25597 OH2 TIP3 8806 21.415 58.950 10.218 1.00 0.00 WT1 O ATOM 25598 H1 TIP3 8806 21.242 58.630 9.332 1.00 0.00 WT1 H ATOM 25599 H2 TIP3 8806 22.313 58.673 10.401 1.00 0.00 WT1 H ATOM 25600 OH2 TIP3 8808 49.683 70.284 -17.197 1.00 0.00 WT1 O ATOM 25601 H1 TIP3 8808 49.357 70.584 -16.348 1.00 0.00 WT1 H ATOM 25602 H2 TIP3 8808 50.176 69.489 -16.997 1.00 0.00 WT1 H ATOM 25603 OH2 TIP3 8809 74.735 56.211 -7.669 1.00 0.00 WT1 O ATOM 25604 H1 TIP3 8809 75.531 56.641 -7.984 1.00 0.00 WT1 H ATOM 25605 H2 TIP3 8809 75.050 55.443 -7.192 1.00 0.00 WT1 H ATOM 25606 OH2 TIP3 8810 79.473 62.924 7.368 1.00 0.00 WT1 O ATOM 25607 H1 TIP3 8810 79.757 62.418 6.606 1.00 0.00 WT1 H ATOM 25608 H2 TIP3 8810 78.929 63.622 7.003 1.00 0.00 WT1 H ATOM 25609 OH2 TIP3 8811 33.603 82.741 18.914 1.00 0.00 WT1 O ATOM 25610 H1 TIP3 8811 33.597 82.019 18.286 1.00 0.00 WT1 H ATOM 25611 H2 TIP3 8811 33.979 82.363 19.710 1.00 0.00 WT1 H ATOM 25612 OH2 TIP3 8812 86.476 63.007 30.967 1.00 0.00 WT1 O ATOM 25613 H1 TIP3 8812 87.068 62.830 30.236 1.00 0.00 WT1 H ATOM 25614 H2 TIP3 8812 85.612 63.082 30.563 1.00 0.00 WT1 H ATOM 25615 OH2 TIP3 8813 28.603 14.422 47.507 1.00 0.00 WT1 O ATOM 25616 H1 TIP3 8813 29.293 15.069 47.655 1.00 0.00 WT1 H ATOM 25617 H2 TIP3 8813 28.771 13.740 48.157 1.00 0.00 WT1 H ATOM 25618 OH2 TIP3 8815 23.946 65.731 30.034 1.00 0.00 WT1 O ATOM 25619 H1 TIP3 8815 23.234 65.138 30.274 1.00 0.00 WT1 H ATOM 25620 H2 TIP3 8815 23.520 66.428 29.534 1.00 0.00 WT1 H ATOM 25621 OH2 TIP3 8816 28.719 69.592 29.151 1.00 0.00 WT1 O ATOM 25622 H1 TIP3 8816 29.456 70.184 29.304 1.00 0.00 WT1 H ATOM 25623 H2 TIP3 8816 28.163 69.697 29.923 1.00 0.00 WT1 H ATOM 25624 OH2 TIP3 8817 78.481 68.148 8.812 1.00 0.00 WT1 O ATOM 25625 H1 TIP3 8817 78.713 67.872 7.925 1.00 0.00 WT1 H ATOM 25626 H2 TIP3 8817 78.697 67.395 9.362 1.00 0.00 WT1 H ATOM 25627 OH2 TIP3 8818 71.672 90.332 4.102 1.00 0.00 WT1 O ATOM 25628 H1 TIP3 8818 71.031 89.687 3.803 1.00 0.00 WT1 H ATOM 25629 H2 TIP3 8818 71.885 90.840 3.319 1.00 0.00 WT1 H ATOM 25630 OH2 TIP3 8819 27.382 90.293 2.814 1.00 0.00 WT1 O ATOM 25631 H1 TIP3 8819 26.848 90.770 3.450 1.00 0.00 WT1 H ATOM 25632 H2 TIP3 8819 26.978 90.488 1.968 1.00 0.00 WT1 H ATOM 25633 OH2 TIP3 8820 64.037 28.615 19.477 1.00 0.00 WT1 O ATOM 25634 H1 TIP3 8820 63.950 29.524 19.190 1.00 0.00 WT1 H ATOM 25635 H2 TIP3 8820 63.140 28.331 19.650 1.00 0.00 WT1 H ATOM 25636 OH2 TIP3 8821 23.161 72.698 20.973 1.00 0.00 WT1 O ATOM 25637 H1 TIP3 8821 22.644 71.893 20.945 1.00 0.00 WT1 H ATOM 25638 H2 TIP3 8821 22.574 73.372 20.628 1.00 0.00 WT1 H ATOM 25639 OH2 TIP3 8822 35.132 36.651 35.202 1.00 0.00 WT1 O ATOM 25640 H1 TIP3 8822 34.868 37.230 34.487 1.00 0.00 WT1 H ATOM 25641 H2 TIP3 8822 35.413 35.846 34.768 1.00 0.00 WT1 H ATOM 25642 OH2 TIP3 8823 77.723 18.946 8.225 1.00 0.00 WT1 O ATOM 25643 H1 TIP3 8823 77.251 18.134 8.412 1.00 0.00 WT1 H ATOM 25644 H2 TIP3 8823 78.632 18.753 8.454 1.00 0.00 WT1 H ATOM 25645 OH2 TIP3 8824 30.457 30.046 21.996 1.00 0.00 WT1 O ATOM 25646 H1 TIP3 8824 29.557 29.793 22.205 1.00 0.00 WT1 H ATOM 25647 H2 TIP3 8824 30.937 29.920 22.815 1.00 0.00 WT1 H ATOM 25648 OH2 TIP3 8825 73.636 73.638 3.008 1.00 0.00 WT1 O ATOM 25649 H1 TIP3 8825 73.341 74.034 3.828 1.00 0.00 WT1 H ATOM 25650 H2 TIP3 8825 72.912 73.780 2.399 1.00 0.00 WT1 H ATOM 25651 OH2 TIP3 8827 71.006 74.582 16.853 1.00 0.00 WT1 O ATOM 25652 H1 TIP3 8827 71.271 74.526 17.771 1.00 0.00 WT1 H ATOM 25653 H2 TIP3 8827 70.288 75.215 16.848 1.00 0.00 WT1 H ATOM 25654 OH2 TIP3 8828 34.188 40.411 17.423 1.00 0.00 WT1 O ATOM 25655 H1 TIP3 8828 34.860 40.513 16.749 1.00 0.00 WT1 H ATOM 25656 H2 TIP3 8828 33.875 39.513 17.317 1.00 0.00 WT1 H ATOM 25657 OH2 TIP3 8829 69.685 20.487 11.580 1.00 0.00 WT1 O ATOM 25658 H1 TIP3 8829 68.896 20.040 11.274 1.00 0.00 WT1 H ATOM 25659 H2 TIP3 8829 69.854 20.110 12.443 1.00 0.00 WT1 H ATOM 25660 OH2 TIP3 8830 53.100 66.584 8.513 1.00 0.00 WT1 O ATOM 25661 H1 TIP3 8830 53.983 66.220 8.588 1.00 0.00 WT1 H ATOM 25662 H2 TIP3 8830 52.596 66.130 9.189 1.00 0.00 WT1 H ATOM 25663 OH2 TIP3 8832 57.571 66.664 20.229 1.00 0.00 WT1 O ATOM 25664 H1 TIP3 8832 57.134 65.985 19.716 1.00 0.00 WT1 H ATOM 25665 H2 TIP3 8832 58.381 66.253 20.532 1.00 0.00 WT1 H ATOM 25666 OH2 TIP3 8833 35.772 62.505 -11.754 1.00 0.00 WT1 O ATOM 25667 H1 TIP3 8833 35.632 62.970 -12.579 1.00 0.00 WT1 H ATOM 25668 H2 TIP3 8833 35.048 61.881 -11.705 1.00 0.00 WT1 H ATOM 25669 OH2 TIP3 8834 76.386 31.768 1.962 1.00 0.00 WT1 O ATOM 25670 H1 TIP3 8834 76.754 30.943 1.645 1.00 0.00 WT1 H ATOM 25671 H2 TIP3 8834 75.460 31.577 2.109 1.00 0.00 WT1 H ATOM 25672 OH2 TIP3 8835 64.540 62.048 24.642 1.00 0.00 WT1 O ATOM 25673 H1 TIP3 8835 63.980 62.519 24.025 1.00 0.00 WT1 H ATOM 25674 H2 TIP3 8835 63.939 61.483 25.128 1.00 0.00 WT1 H ATOM 25675 OH2 TIP3 8836 38.314 39.079 37.703 1.00 0.00 WT1 O ATOM 25676 H1 TIP3 8836 38.865 39.843 37.533 1.00 0.00 WT1 H ATOM 25677 H2 TIP3 8836 37.447 39.444 37.881 1.00 0.00 WT1 H ATOM 25678 OH2 TIP3 8837 33.645 85.855 5.671 1.00 0.00 WT1 O ATOM 25679 H1 TIP3 8837 33.249 86.055 6.520 1.00 0.00 WT1 H ATOM 25680 H2 TIP3 8837 33.866 84.926 5.722 1.00 0.00 WT1 H ATOM 25681 OH2 TIP3 8839 86.309 16.494 46.037 1.00 0.00 WT1 O ATOM 25682 H1 TIP3 8839 85.555 16.487 46.626 1.00 0.00 WT1 H ATOM 25683 H2 TIP3 8839 86.225 15.686 45.531 1.00 0.00 WT1 H ATOM 25684 OH2 TIP3 8840 48.152 7.475 53.355 1.00 0.00 WT1 O ATOM 25685 H1 TIP3 8840 48.608 7.543 54.194 1.00 0.00 WT1 H ATOM 25686 H2 TIP3 8840 48.285 6.567 53.082 1.00 0.00 WT1 H ATOM 25687 OH2 TIP3 8841 65.507 65.487 46.298 1.00 0.00 WT1 O ATOM 25688 H1 TIP3 8841 65.138 66.289 45.927 1.00 0.00 WT1 H ATOM 25689 H2 TIP3 8841 64.745 64.952 46.519 1.00 0.00 WT1 H ATOM 25690 OH2 TIP3 8842 76.002 6.230 37.008 1.00 0.00 WT1 O ATOM 25691 H1 TIP3 8842 75.284 5.875 37.534 1.00 0.00 WT1 H ATOM 25692 H2 TIP3 8842 76.435 5.459 36.642 1.00 0.00 WT1 H ATOM 25693 OH2 TIP3 8843 70.499 58.575 -2.922 1.00 0.00 WT1 O ATOM 25694 H1 TIP3 8843 70.755 57.683 -2.690 1.00 0.00 WT1 H ATOM 25695 H2 TIP3 8843 69.569 58.623 -2.699 1.00 0.00 WT1 H ATOM 25696 OH2 TIP3 8844 61.812 6.558 2.298 1.00 0.00 WT1 O ATOM 25697 H1 TIP3 8844 61.684 5.903 1.610 1.00 0.00 WT1 H ATOM 25698 H2 TIP3 8844 62.413 7.196 1.913 1.00 0.00 WT1 H ATOM 25699 OH2 TIP3 8845 77.136 3.837 35.750 1.00 0.00 WT1 O ATOM 25700 H1 TIP3 8845 76.371 3.480 36.201 1.00 0.00 WT1 H ATOM 25701 H2 TIP3 8845 77.220 3.305 34.960 1.00 0.00 WT1 H ATOM 25702 OH2 TIP3 8846 60.942 15.385 23.262 1.00 0.00 WT1 O ATOM 25703 H1 TIP3 8846 61.635 14.767 23.030 1.00 0.00 WT1 H ATOM 25704 H2 TIP3 8846 60.791 15.887 22.460 1.00 0.00 WT1 H ATOM 25705 OH2 TIP3 8847 73.557 42.631 14.647 1.00 0.00 WT1 O ATOM 25706 H1 TIP3 8847 74.079 43.425 14.757 1.00 0.00 WT1 H ATOM 25707 H2 TIP3 8847 72.996 42.603 15.423 1.00 0.00 WT1 H ATOM 25708 OH2 TIP3 8848 25.542 89.653 -16.076 1.00 0.00 WT1 O ATOM 25709 H1 TIP3 8848 26.182 90.362 -16.147 1.00 0.00 WT1 H ATOM 25710 H2 TIP3 8848 24.695 90.082 -16.196 1.00 0.00 WT1 H ATOM 25711 OH2 TIP3 8849 85.401 76.719 -4.816 1.00 0.00 WT1 O ATOM 25712 H1 TIP3 8849 84.691 76.240 -4.388 1.00 0.00 WT1 H ATOM 25713 H2 TIP3 8849 85.664 76.157 -5.546 1.00 0.00 WT1 H ATOM 25714 OH2 TIP3 8850 38.791 83.630 61.393 1.00 0.00 WT1 O ATOM 25715 H1 TIP3 8850 39.475 82.998 61.614 1.00 0.00 WT1 H ATOM 25716 H2 TIP3 8850 38.581 83.446 60.477 1.00 0.00 WT1 H ATOM 25717 OH2 TIP3 8851 90.155 54.009 4.820 1.00 0.00 WT1 O ATOM 25718 H1 TIP3 8851 89.689 54.756 4.443 1.00 0.00 WT1 H ATOM 25719 H2 TIP3 8851 91.004 54.009 4.379 1.00 0.00 WT1 H ATOM 25720 OH2 TIP3 8852 63.511 53.124 5.035 1.00 0.00 WT1 O ATOM 25721 H1 TIP3 8852 62.735 53.684 5.008 1.00 0.00 WT1 H ATOM 25722 H2 TIP3 8852 63.311 52.467 5.701 1.00 0.00 WT1 H ATOM 25723 OH2 TIP3 8853 75.199 91.119 5.638 1.00 0.00 WT1 O ATOM 25724 H1 TIP3 8853 75.279 91.910 6.171 1.00 0.00 WT1 H ATOM 25725 H2 TIP3 8853 74.444 90.659 6.005 1.00 0.00 WT1 H ATOM 25726 OH2 TIP3 8854 84.510 4.625 36.557 1.00 0.00 WT1 O ATOM 25727 H1 TIP3 8854 83.564 4.490 36.514 1.00 0.00 WT1 H ATOM 25728 H2 TIP3 8854 84.817 3.972 37.187 1.00 0.00 WT1 H ATOM 25729 OH2 TIP3 8855 66.667 31.476 -8.834 1.00 0.00 WT1 O ATOM 25730 H1 TIP3 8855 67.212 32.063 -8.310 1.00 0.00 WT1 H ATOM 25731 H2 TIP3 8855 65.781 31.605 -8.497 1.00 0.00 WT1 H ATOM 25732 OH2 TIP3 8856 57.402 33.501 14.415 1.00 0.00 WT1 O ATOM 25733 H1 TIP3 8856 56.653 33.210 13.895 1.00 0.00 WT1 H ATOM 25734 H2 TIP3 8856 57.398 34.454 14.330 1.00 0.00 WT1 H ATOM 25735 OH2 TIP3 8857 31.592 9.548 44.951 1.00 0.00 WT1 O ATOM 25736 H1 TIP3 8857 31.153 10.359 45.206 1.00 0.00 WT1 H ATOM 25737 H2 TIP3 8857 32.206 9.372 45.664 1.00 0.00 WT1 H ATOM 25738 OH2 TIP3 8858 88.420 61.972 63.485 1.00 0.00 WT1 O ATOM 25739 H1 TIP3 8858 87.652 61.404 63.411 1.00 0.00 WT1 H ATOM 25740 H2 TIP3 8858 88.292 62.637 62.810 1.00 0.00 WT1 H ATOM 25741 OH2 TIP3 8859 77.232 93.425 29.546 1.00 0.00 WT1 O ATOM 25742 H1 TIP3 8859 77.178 94.279 29.975 1.00 0.00 WT1 H ATOM 25743 H2 TIP3 8859 77.986 93.497 28.962 1.00 0.00 WT1 H ATOM 25744 OH2 TIP3 8860 66.458 35.251 -10.121 1.00 0.00 WT1 O ATOM 25745 H1 TIP3 8860 67.324 35.304 -9.718 1.00 0.00 WT1 H ATOM 25746 H2 TIP3 8860 66.619 35.383 -11.055 1.00 0.00 WT1 H ATOM 25747 OH2 TIP3 8861 64.749 49.012 52.168 1.00 0.00 WT1 O ATOM 25748 H1 TIP3 8861 64.773 49.666 52.866 1.00 0.00 WT1 H ATOM 25749 H2 TIP3 8861 65.622 49.046 51.777 1.00 0.00 WT1 H ATOM 25750 OH2 TIP3 8863 48.567 77.110 -8.491 1.00 0.00 WT1 O ATOM 25751 H1 TIP3 8863 47.955 76.420 -8.234 1.00 0.00 WT1 H ATOM 25752 H2 TIP3 8863 48.138 77.923 -8.222 1.00 0.00 WT1 H ATOM 25753 OH2 TIP3 8864 51.434 37.605 36.473 1.00 0.00 WT1 O ATOM 25754 H1 TIP3 8864 52.256 38.047 36.260 1.00 0.00 WT1 H ATOM 25755 H2 TIP3 8864 50.756 38.162 36.091 1.00 0.00 WT1 H ATOM 25756 OH2 TIP3 8865 67.857 45.852 2.501 1.00 0.00 WT1 O ATOM 25757 H1 TIP3 8865 68.812 45.799 2.538 1.00 0.00 WT1 H ATOM 25758 H2 TIP3 8865 67.672 46.785 2.394 1.00 0.00 WT1 H ATOM 25759 OH2 TIP3 8866 66.476 0.551 27.686 1.00 0.00 WT1 O ATOM 25760 H1 TIP3 8866 66.617 -0.274 28.150 1.00 0.00 WT1 H ATOM 25761 H2 TIP3 8866 65.645 0.430 27.227 1.00 0.00 WT1 H ATOM 25762 OH2 TIP3 8867 31.373 59.055 18.430 1.00 0.00 WT1 O ATOM 25763 H1 TIP3 8867 31.344 58.562 19.250 1.00 0.00 WT1 H ATOM 25764 H2 TIP3 8867 32.302 59.093 18.206 1.00 0.00 WT1 H ATOM 25765 OH2 TIP3 8868 84.877 67.586 44.244 1.00 0.00 WT1 O ATOM 25766 H1 TIP3 8868 83.924 67.504 44.250 1.00 0.00 WT1 H ATOM 25767 H2 TIP3 8868 85.147 67.190 43.416 1.00 0.00 WT1 H ATOM 25768 OH2 TIP3 8869 51.130 36.978 -10.098 1.00 0.00 WT1 O ATOM 25769 H1 TIP3 8869 50.509 36.292 -10.343 1.00 0.00 WT1 H ATOM 25770 H2 TIP3 8869 50.595 37.642 -9.663 1.00 0.00 WT1 H ATOM 25771 OH2 TIP3 8870 65.030 7.324 -7.064 1.00 0.00 WT1 O ATOM 25772 H1 TIP3 8870 64.523 7.676 -6.332 1.00 0.00 WT1 H ATOM 25773 H2 TIP3 8870 65.496 8.081 -7.420 1.00 0.00 WT1 H ATOM 25774 OH2 TIP3 8871 72.874 55.165 8.910 1.00 0.00 WT1 O ATOM 25775 H1 TIP3 8871 72.632 54.607 9.649 1.00 0.00 WT1 H ATOM 25776 H2 TIP3 8871 72.181 55.825 8.870 1.00 0.00 WT1 H ATOM 25777 OH2 TIP3 8872 20.873 65.276 9.511 1.00 0.00 WT1 O ATOM 25778 H1 TIP3 8872 20.851 64.806 8.678 1.00 0.00 WT1 H ATOM 25779 H2 TIP3 8872 20.693 66.187 9.278 1.00 0.00 WT1 H ATOM 25780 OH2 TIP3 8873 65.899 0.450 -11.613 1.00 0.00 WT1 O ATOM 25781 H1 TIP3 8873 66.234 0.989 -10.896 1.00 0.00 WT1 H ATOM 25782 H2 TIP3 8873 64.950 0.443 -11.485 1.00 0.00 WT1 H ATOM 25783 OH2 TIP3 8874 63.971 0.641 20.354 1.00 0.00 WT1 O ATOM 25784 H1 TIP3 8874 64.246 -0.275 20.308 1.00 0.00 WT1 H ATOM 25785 H2 TIP3 8874 63.017 0.604 20.414 1.00 0.00 WT1 H ATOM 25786 OH2 TIP3 8875 27.318 64.202 3.837 1.00 0.00 WT1 O ATOM 25787 H1 TIP3 8875 27.948 64.904 3.998 1.00 0.00 WT1 H ATOM 25788 H2 TIP3 8875 27.647 63.462 4.347 1.00 0.00 WT1 H ATOM 25789 OH2 TIP3 8876 50.305 58.082 46.762 1.00 0.00 WT1 O ATOM 25790 H1 TIP3 8876 49.884 58.934 46.867 1.00 0.00 WT1 H ATOM 25791 H2 TIP3 8876 50.964 58.222 46.081 1.00 0.00 WT1 H ATOM 25792 OH2 TIP3 8877 86.379 51.704 19.229 1.00 0.00 WT1 O ATOM 25793 H1 TIP3 8877 85.912 52.317 19.795 1.00 0.00 WT1 H ATOM 25794 H2 TIP3 8877 86.235 52.036 18.343 1.00 0.00 WT1 H ATOM 25795 OH2 TIP3 8878 24.091 33.848 -1.933 1.00 0.00 WT1 O ATOM 25796 H1 TIP3 8878 24.742 33.920 -1.234 1.00 0.00 WT1 H ATOM 25797 H2 TIP3 8878 24.371 33.089 -2.444 1.00 0.00 WT1 H ATOM 25798 OH2 TIP3 8879 48.687 17.130 26.583 1.00 0.00 WT1 O ATOM 25799 H1 TIP3 8879 48.402 17.893 27.084 1.00 0.00 WT1 H ATOM 25800 H2 TIP3 8879 48.337 17.276 25.704 1.00 0.00 WT1 H ATOM 25801 OH2 TIP3 8880 89.127 59.965 43.268 1.00 0.00 WT1 O ATOM 25802 H1 TIP3 8880 88.247 59.653 43.059 1.00 0.00 WT1 H ATOM 25803 H2 TIP3 8880 89.415 60.420 42.476 1.00 0.00 WT1 H ATOM 25804 OH2 TIP3 8881 64.947 55.714 16.270 1.00 0.00 WT1 O ATOM 25805 H1 TIP3 8881 64.629 56.035 15.426 1.00 0.00 WT1 H ATOM 25806 H2 TIP3 8881 64.415 54.939 16.447 1.00 0.00 WT1 H ATOM 25807 OH2 TIP3 8882 80.873 36.672 39.547 1.00 0.00 WT1 O ATOM 25808 H1 TIP3 8882 81.566 37.326 39.640 1.00 0.00 WT1 H ATOM 25809 H2 TIP3 8882 80.795 36.279 40.416 1.00 0.00 WT1 H ATOM 25810 OH2 TIP3 8883 28.943 69.840 4.834 1.00 0.00 WT1 O ATOM 25811 H1 TIP3 8883 29.646 69.994 5.465 1.00 0.00 WT1 H ATOM 25812 H2 TIP3 8883 29.386 69.489 4.062 1.00 0.00 WT1 H ATOM 25813 OH2 TIP3 8884 47.479 94.321 2.819 1.00 0.00 WT1 O ATOM 25814 H1 TIP3 8884 48.293 94.790 2.635 1.00 0.00 WT1 H ATOM 25815 H2 TIP3 8884 46.937 94.956 3.287 1.00 0.00 WT1 H ATOM 25816 OH2 TIP3 8885 78.262 18.188 2.707 1.00 0.00 WT1 O ATOM 25817 H1 TIP3 8885 77.654 18.384 3.420 1.00 0.00 WT1 H ATOM 25818 H2 TIP3 8885 78.386 19.026 2.261 1.00 0.00 WT1 H ATOM 25819 OH2 TIP3 8886 89.794 15.978 44.009 1.00 0.00 WT1 O ATOM 25820 H1 TIP3 8886 89.060 15.364 43.985 1.00 0.00 WT1 H ATOM 25821 H2 TIP3 8886 90.470 15.525 44.513 1.00 0.00 WT1 H ATOM 25822 OH2 TIP3 8887 22.154 35.761 -13.499 1.00 0.00 WT1 O ATOM 25823 H1 TIP3 8887 21.409 35.736 -12.898 1.00 0.00 WT1 H ATOM 25824 H2 TIP3 8887 22.847 35.285 -13.042 1.00 0.00 WT1 H ATOM 25825 OH2 TIP3 8888 27.582 29.872 40.406 1.00 0.00 WT1 O ATOM 25826 H1 TIP3 8888 27.355 28.960 40.590 1.00 0.00 WT1 H ATOM 25827 H2 TIP3 8888 27.911 29.860 39.507 1.00 0.00 WT1 H ATOM 25828 OH2 TIP3 8889 58.278 92.069 61.433 1.00 0.00 WT1 O ATOM 25829 H1 TIP3 8889 59.063 92.170 60.896 1.00 0.00 WT1 H ATOM 25830 H2 TIP3 8889 58.260 91.140 61.661 1.00 0.00 WT1 H ATOM 25831 OH2 TIP3 8890 57.883 62.427 -14.479 1.00 0.00 WT1 O ATOM 25832 H1 TIP3 8890 58.699 62.308 -13.993 1.00 0.00 WT1 H ATOM 25833 H2 TIP3 8890 57.227 61.957 -13.965 1.00 0.00 WT1 H ATOM 25834 OH2 TIP3 8891 33.849 51.005 44.976 1.00 0.00 WT1 O ATOM 25835 H1 TIP3 8891 34.288 51.735 44.541 1.00 0.00 WT1 H ATOM 25836 H2 TIP3 8891 34.232 50.983 45.853 1.00 0.00 WT1 H ATOM 25837 OH2 TIP3 8893 68.465 21.738 37.445 1.00 0.00 WT1 O ATOM 25838 H1 TIP3 8893 69.217 22.221 37.102 1.00 0.00 WT1 H ATOM 25839 H2 TIP3 8893 68.142 21.235 36.697 1.00 0.00 WT1 H ATOM 25840 OH2 TIP3 8894 77.732 87.555 33.325 1.00 0.00 WT1 O ATOM 25841 H1 TIP3 8894 77.621 87.801 34.243 1.00 0.00 WT1 H ATOM 25842 H2 TIP3 8894 78.122 88.327 32.915 1.00 0.00 WT1 H ATOM 25843 OH2 TIP3 8895 72.442 43.646 30.025 1.00 0.00 WT1 O ATOM 25844 H1 TIP3 8895 72.328 44.509 30.423 1.00 0.00 WT1 H ATOM 25845 H2 TIP3 8895 71.730 43.580 29.388 1.00 0.00 WT1 H ATOM 25846 OH2 TIP3 8896 27.473 19.062 25.648 1.00 0.00 WT1 O ATOM 25847 H1 TIP3 8896 26.946 18.263 25.628 1.00 0.00 WT1 H ATOM 25848 H2 TIP3 8896 28.378 18.752 25.637 1.00 0.00 WT1 H ATOM 25849 OH2 TIP3 8897 38.638 40.205 -18.400 1.00 0.00 WT1 O ATOM 25850 H1 TIP3 8897 38.234 40.501 -19.215 1.00 0.00 WT1 H ATOM 25851 H2 TIP3 8897 37.913 40.158 -17.776 1.00 0.00 WT1 H ATOM 25852 OH2 TIP3 8898 26.515 25.306 21.457 1.00 0.00 WT1 O ATOM 25853 H1 TIP3 8898 26.580 26.196 21.112 1.00 0.00 WT1 H ATOM 25854 H2 TIP3 8898 25.822 24.897 20.939 1.00 0.00 WT1 H ATOM 25855 OH2 TIP3 8899 41.670 7.821 8.360 1.00 0.00 WT1 O ATOM 25856 H1 TIP3 8899 41.021 8.473 8.623 1.00 0.00 WT1 H ATOM 25857 H2 TIP3 8899 41.154 7.049 8.127 1.00 0.00 WT1 H ATOM 25858 OH2 TIP3 8900 45.890 46.922 50.156 1.00 0.00 WT1 O ATOM 25859 H1 TIP3 8900 45.870 47.749 50.637 1.00 0.00 WT1 H ATOM 25860 H2 TIP3 8900 45.044 46.884 49.710 1.00 0.00 WT1 H ATOM 25861 OH2 TIP3 8901 40.566 37.958 14.531 1.00 0.00 WT1 O ATOM 25862 H1 TIP3 8901 41.025 38.779 14.710 1.00 0.00 WT1 H ATOM 25863 H2 TIP3 8901 41.265 37.317 14.399 1.00 0.00 WT1 H ATOM 25864 OH2 TIP3 8902 28.587 4.491 25.809 1.00 0.00 WT1 O ATOM 25865 H1 TIP3 8902 28.422 3.679 25.330 1.00 0.00 WT1 H ATOM 25866 H2 TIP3 8902 28.499 5.180 25.151 1.00 0.00 WT1 H ATOM 25867 OH2 TIP3 8903 73.064 38.074 46.447 1.00 0.00 WT1 O ATOM 25868 H1 TIP3 8903 72.794 38.992 46.471 1.00 0.00 WT1 H ATOM 25869 H2 TIP3 8903 73.598 38.001 45.656 1.00 0.00 WT1 H ATOM 25870 OH2 TIP3 8904 87.885 95.033 50.278 1.00 0.00 WT1 O ATOM 25871 H1 TIP3 8904 87.959 95.361 51.174 1.00 0.00 WT1 H ATOM 25872 H2 TIP3 8904 87.111 94.470 50.292 1.00 0.00 WT1 H ATOM 25873 OH2 TIP3 8905 53.768 12.448 58.456 1.00 0.00 WT1 O ATOM 25874 H1 TIP3 8905 53.106 12.332 57.775 1.00 0.00 WT1 H ATOM 25875 H2 TIP3 8905 53.382 12.050 59.236 1.00 0.00 WT1 H ATOM 25876 OH2 TIP3 8906 50.544 21.514 41.275 1.00 0.00 WT1 O ATOM 25877 H1 TIP3 8906 49.657 21.279 41.003 1.00 0.00 WT1 H ATOM 25878 H2 TIP3 8906 50.536 21.420 42.228 1.00 0.00 WT1 H ATOM 25879 OH2 TIP3 8907 49.674 27.175 -9.687 1.00 0.00 WT1 O ATOM 25880 H1 TIP3 8907 50.343 27.057 -9.013 1.00 0.00 WT1 H ATOM 25881 H2 TIP3 8907 49.217 26.335 -9.720 1.00 0.00 WT1 H ATOM 25882 OH2 TIP3 8908 63.603 94.144 47.277 1.00 0.00 WT1 O ATOM 25883 H1 TIP3 8908 62.704 94.395 47.488 1.00 0.00 WT1 H ATOM 25884 H2 TIP3 8908 63.847 93.525 47.966 1.00 0.00 WT1 H ATOM 25885 OH2 TIP3 8909 30.592 17.333 43.445 1.00 0.00 WT1 O ATOM 25886 H1 TIP3 8909 31.128 16.559 43.618 1.00 0.00 WT1 H ATOM 25887 H2 TIP3 8909 30.765 17.544 42.527 1.00 0.00 WT1 H ATOM 25888 OH2 TIP3 8910 87.684 55.383 24.931 1.00 0.00 WT1 O ATOM 25889 H1 TIP3 8910 86.824 55.697 24.651 1.00 0.00 WT1 H ATOM 25890 H2 TIP3 8910 87.609 54.429 24.911 1.00 0.00 WT1 H ATOM 25891 OH2 TIP3 8911 88.907 49.724 56.651 1.00 0.00 WT1 O ATOM 25892 H1 TIP3 8911 88.030 49.478 56.945 1.00 0.00 WT1 H ATOM 25893 H2 TIP3 8911 89.359 49.997 57.449 1.00 0.00 WT1 H ATOM 25894 OH2 TIP3 8912 54.691 29.335 12.978 1.00 0.00 WT1 O ATOM 25895 H1 TIP3 8912 54.312 29.207 13.847 1.00 0.00 WT1 H ATOM 25896 H2 TIP3 8912 54.031 28.994 12.375 1.00 0.00 WT1 H ATOM 25897 OH2 TIP3 8913 70.143 28.914 15.289 1.00 0.00 WT1 O ATOM 25898 H1 TIP3 8913 70.988 29.356 15.207 1.00 0.00 WT1 H ATOM 25899 H2 TIP3 8913 69.573 29.562 15.704 1.00 0.00 WT1 H ATOM 25900 OH2 TIP3 8914 77.916 51.233 56.708 1.00 0.00 WT1 O ATOM 25901 H1 TIP3 8914 78.625 51.173 57.348 1.00 0.00 WT1 H ATOM 25902 H2 TIP3 8914 77.613 52.139 56.771 1.00 0.00 WT1 H ATOM 25903 OH2 TIP3 8915 71.518 91.546 -7.466 1.00 0.00 WT1 O ATOM 25904 H1 TIP3 8915 70.721 91.163 -7.833 1.00 0.00 WT1 H ATOM 25905 H2 TIP3 8915 71.450 91.385 -6.525 1.00 0.00 WT1 H ATOM 25906 OH2 TIP3 8916 69.752 73.126 14.078 1.00 0.00 WT1 O ATOM 25907 H1 TIP3 8916 69.063 72.498 13.864 1.00 0.00 WT1 H ATOM 25908 H2 TIP3 8916 69.542 73.420 14.965 1.00 0.00 WT1 H ATOM 25909 OH2 TIP3 8917 49.246 26.357 43.597 1.00 0.00 WT1 O ATOM 25910 H1 TIP3 8917 49.857 25.892 44.169 1.00 0.00 WT1 H ATOM 25911 H2 TIP3 8917 49.797 26.953 43.091 1.00 0.00 WT1 H ATOM 25912 OH2 TIP3 8918 38.440 23.403 9.864 1.00 0.00 WT1 O ATOM 25913 H1 TIP3 8918 38.628 24.113 10.477 1.00 0.00 WT1 H ATOM 25914 H2 TIP3 8918 38.624 22.604 10.359 1.00 0.00 WT1 H ATOM 25915 OH2 TIP3 8919 53.212 90.372 49.532 1.00 0.00 WT1 O ATOM 25916 H1 TIP3 8919 52.375 90.481 49.983 1.00 0.00 WT1 H ATOM 25917 H2 TIP3 8919 53.633 91.230 49.597 1.00 0.00 WT1 H ATOM 25918 OH2 TIP3 8920 88.323 0.427 -3.076 1.00 0.00 WT1 O ATOM 25919 H1 TIP3 8920 88.121 -0.238 -3.734 1.00 0.00 WT1 H ATOM 25920 H2 TIP3 8920 87.719 0.245 -2.356 1.00 0.00 WT1 H ATOM 25921 OH2 TIP3 8921 34.321 93.649 50.547 1.00 0.00 WT1 O ATOM 25922 H1 TIP3 8921 34.916 93.323 51.222 1.00 0.00 WT1 H ATOM 25923 H2 TIP3 8921 34.600 94.552 50.397 1.00 0.00 WT1 H ATOM 25924 OH2 TIP3 8922 34.209 47.129 38.570 1.00 0.00 WT1 O ATOM 25925 H1 TIP3 8922 33.467 47.629 38.230 1.00 0.00 WT1 H ATOM 25926 H2 TIP3 8922 34.363 46.451 37.911 1.00 0.00 WT1 H ATOM 25927 OH2 TIP3 8923 43.034 37.347 56.369 1.00 0.00 WT1 O ATOM 25928 H1 TIP3 8923 42.945 36.461 56.019 1.00 0.00 WT1 H ATOM 25929 H2 TIP3 8923 42.942 37.918 55.606 1.00 0.00 WT1 H ATOM 25930 OH2 TIP3 8924 71.815 77.892 55.383 1.00 0.00 WT1 O ATOM 25931 H1 TIP3 8924 71.328 78.345 54.694 1.00 0.00 WT1 H ATOM 25932 H2 TIP3 8924 72.054 77.051 54.993 1.00 0.00 WT1 H ATOM 25933 OH2 TIP3 8926 45.125 51.972 51.100 1.00 0.00 WT1 O ATOM 25934 H1 TIP3 8926 45.892 52.487 51.349 1.00 0.00 WT1 H ATOM 25935 H2 TIP3 8926 44.845 52.348 50.265 1.00 0.00 WT1 H ATOM 25936 OH2 TIP3 8927 60.660 92.116 60.187 1.00 0.00 WT1 O ATOM 25937 H1 TIP3 8927 60.280 91.463 59.599 1.00 0.00 WT1 H ATOM 25938 H2 TIP3 8927 61.487 92.362 59.771 1.00 0.00 WT1 H ATOM 25939 OH2 TIP3 8928 57.012 88.155 16.721 1.00 0.00 WT1 O ATOM 25940 H1 TIP3 8928 57.105 88.709 15.946 1.00 0.00 WT1 H ATOM 25941 H2 TIP3 8928 57.911 87.953 16.981 1.00 0.00 WT1 H ATOM 25942 OH2 TIP3 8929 25.068 55.483 31.811 1.00 0.00 WT1 O ATOM 25943 H1 TIP3 8929 25.211 54.631 32.224 1.00 0.00 WT1 H ATOM 25944 H2 TIP3 8929 25.040 55.293 30.873 1.00 0.00 WT1 H ATOM 25945 OH2 TIP3 8930 47.989 12.149 -2.978 1.00 0.00 WT1 O ATOM 25946 H1 TIP3 8930 47.754 12.951 -3.444 1.00 0.00 WT1 H ATOM 25947 H2 TIP3 8930 47.418 12.143 -2.209 1.00 0.00 WT1 H ATOM 25948 OH2 TIP3 8931 27.282 79.914 -2.136 1.00 0.00 WT1 O ATOM 25949 H1 TIP3 8931 27.415 79.034 -1.786 1.00 0.00 WT1 H ATOM 25950 H2 TIP3 8931 28.101 80.119 -2.587 1.00 0.00 WT1 H ATOM 25951 OH2 TIP3 8932 34.015 35.202 55.213 1.00 0.00 WT1 O ATOM 25952 H1 TIP3 8932 34.278 34.327 55.498 1.00 0.00 WT1 H ATOM 25953 H2 TIP3 8932 33.266 35.052 54.636 1.00 0.00 WT1 H ATOM 25954 OH2 TIP3 8933 30.171 83.549 31.879 1.00 0.00 WT1 O ATOM 25955 H1 TIP3 8933 30.306 83.088 31.051 1.00 0.00 WT1 H ATOM 25956 H2 TIP3 8933 30.321 82.884 32.551 1.00 0.00 WT1 H ATOM 25957 OH2 TIP3 8934 68.849 70.864 51.568 1.00 0.00 WT1 O ATOM 25958 H1 TIP3 8934 67.899 70.962 51.504 1.00 0.00 WT1 H ATOM 25959 H2 TIP3 8934 69.125 70.620 50.684 1.00 0.00 WT1 H ATOM 25960 OH2 TIP3 8935 30.651 30.984 6.360 1.00 0.00 WT1 O ATOM 25961 H1 TIP3 8935 30.078 31.701 6.630 1.00 0.00 WT1 H ATOM 25962 H2 TIP3 8935 31.531 31.362 6.375 1.00 0.00 WT1 H ATOM 25963 OH2 TIP3 8936 48.673 45.828 11.259 1.00 0.00 WT1 O ATOM 25964 H1 TIP3 8936 47.775 45.616 11.513 1.00 0.00 WT1 H ATOM 25965 H2 TIP3 8936 49.219 45.330 11.868 1.00 0.00 WT1 H ATOM 25966 OH2 TIP3 8937 24.502 53.855 46.105 1.00 0.00 WT1 O ATOM 25967 H1 TIP3 8937 24.561 52.907 46.223 1.00 0.00 WT1 H ATOM 25968 H2 TIP3 8937 25.343 54.189 46.418 1.00 0.00 WT1 H ATOM 25969 OH2 TIP3 8938 90.293 21.508 54.155 1.00 0.00 WT1 O ATOM 25970 H1 TIP3 8938 91.164 21.428 54.544 1.00 0.00 WT1 H ATOM 25971 H2 TIP3 8938 89.769 20.841 54.599 1.00 0.00 WT1 H ATOM 25972 OH2 TIP3 8939 46.111 68.265 2.909 1.00 0.00 WT1 O ATOM 25973 H1 TIP3 8939 46.801 68.526 3.518 1.00 0.00 WT1 H ATOM 25974 H2 TIP3 8939 45.974 67.335 3.086 1.00 0.00 WT1 H ATOM 25975 OH2 TIP3 8940 88.860 11.822 42.355 1.00 0.00 WT1 O ATOM 25976 H1 TIP3 8940 88.535 10.960 42.612 1.00 0.00 WT1 H ATOM 25977 H2 TIP3 8940 88.441 11.995 41.511 1.00 0.00 WT1 H ATOM 25978 OH2 TIP3 8941 67.836 11.288 4.998 1.00 0.00 WT1 O ATOM 25979 H1 TIP3 8941 67.517 11.968 5.591 1.00 0.00 WT1 H ATOM 25980 H2 TIP3 8941 67.131 11.177 4.359 1.00 0.00 WT1 H ATOM 25981 OH2 TIP3 8942 58.280 82.438 21.571 1.00 0.00 WT1 O ATOM 25982 H1 TIP3 8942 58.508 83.179 21.009 1.00 0.00 WT1 H ATOM 25983 H2 TIP3 8942 58.252 81.687 20.978 1.00 0.00 WT1 H ATOM 25984 OH2 TIP3 8943 28.971 22.505 18.303 1.00 0.00 WT1 O ATOM 25985 H1 TIP3 8943 28.130 22.682 18.724 1.00 0.00 WT1 H ATOM 25986 H2 TIP3 8943 29.580 23.118 18.715 1.00 0.00 WT1 H ATOM 25987 OH2 TIP3 8944 44.626 20.333 63.898 1.00 0.00 WT1 O ATOM 25988 H1 TIP3 8944 44.027 21.076 63.827 1.00 0.00 WT1 H ATOM 25989 H2 TIP3 8944 45.492 20.708 63.736 1.00 0.00 WT1 H ATOM 25990 OH2 TIP3 8945 75.557 36.839 3.135 1.00 0.00 WT1 O ATOM 25991 H1 TIP3 8945 74.657 36.647 2.871 1.00 0.00 WT1 H ATOM 25992 H2 TIP3 8945 75.964 35.979 3.241 1.00 0.00 WT1 H ATOM 25993 OH2 TIP3 8946 68.185 2.264 64.591 1.00 0.00 WT1 O ATOM 25994 H1 TIP3 8946 68.545 1.915 63.776 1.00 0.00 WT1 H ATOM 25995 H2 TIP3 8946 68.283 1.550 65.221 1.00 0.00 WT1 H ATOM 25996 OH2 TIP3 8947 65.672 62.646 -5.430 1.00 0.00 WT1 O ATOM 25997 H1 TIP3 8947 65.070 62.027 -5.017 1.00 0.00 WT1 H ATOM 25998 H2 TIP3 8947 65.154 63.442 -5.547 1.00 0.00 WT1 H ATOM 25999 OH2 TIP3 8948 79.186 35.351 46.222 1.00 0.00 WT1 O ATOM 26000 H1 TIP3 8948 79.197 35.638 47.135 1.00 0.00 WT1 H ATOM 26001 H2 TIP3 8948 79.994 35.704 45.850 1.00 0.00 WT1 H ATOM 26002 OH2 TIP3 8949 68.990 45.661 13.862 1.00 0.00 WT1 O ATOM 26003 H1 TIP3 8949 68.193 46.139 13.633 1.00 0.00 WT1 H ATOM 26004 H2 TIP3 8949 68.707 44.750 13.948 1.00 0.00 WT1 H ATOM 26005 OH2 TIP3 8950 66.879 33.048 21.943 1.00 0.00 WT1 O ATOM 26006 H1 TIP3 8950 66.503 32.185 22.117 1.00 0.00 WT1 H ATOM 26007 H2 TIP3 8950 66.433 33.632 22.555 1.00 0.00 WT1 H ATOM 26008 OH2 TIP3 8951 48.862 33.395 -18.650 1.00 0.00 WT1 O ATOM 26009 H1 TIP3 8951 49.723 33.329 -18.236 1.00 0.00 WT1 H ATOM 26010 H2 TIP3 8951 48.431 32.567 -18.441 1.00 0.00 WT1 H ATOM 26011 OH2 TIP3 8952 54.323 23.613 64.382 1.00 0.00 WT1 O ATOM 26012 H1 TIP3 8952 53.953 23.820 65.241 1.00 0.00 WT1 H ATOM 26013 H2 TIP3 8952 53.713 24.005 63.757 1.00 0.00 WT1 H ATOM 26014 OH2 TIP3 8953 49.106 37.873 15.269 1.00 0.00 WT1 O ATOM 26015 H1 TIP3 8953 48.470 37.177 15.105 1.00 0.00 WT1 H ATOM 26016 H2 TIP3 8953 48.817 38.274 16.089 1.00 0.00 WT1 H ATOM 26017 OH2 TIP3 8954 88.656 77.952 -16.368 1.00 0.00 WT1 O ATOM 26018 H1 TIP3 8954 88.197 77.213 -16.767 1.00 0.00 WT1 H ATOM 26019 H2 TIP3 8954 88.967 77.616 -15.527 1.00 0.00 WT1 H ATOM 26020 OH2 TIP3 8955 78.991 79.271 35.999 1.00 0.00 WT1 O ATOM 26021 H1 TIP3 8955 78.282 78.789 36.424 1.00 0.00 WT1 H ATOM 26022 H2 TIP3 8955 78.918 80.160 36.347 1.00 0.00 WT1 H ATOM 26023 OH2 TIP3 8956 52.617 4.305 12.474 1.00 0.00 WT1 O ATOM 26024 H1 TIP3 8956 52.248 3.866 13.240 1.00 0.00 WT1 H ATOM 26025 H2 TIP3 8956 51.863 4.700 12.037 1.00 0.00 WT1 H ATOM 26026 OH2 TIP3 8957 24.242 38.707 27.134 1.00 0.00 WT1 O ATOM 26027 H1 TIP3 8957 23.498 39.194 27.489 1.00 0.00 WT1 H ATOM 26028 H2 TIP3 8957 24.817 39.379 26.768 1.00 0.00 WT1 H ATOM 26029 OH2 TIP3 8958 61.664 27.844 58.854 1.00 0.00 WT1 O ATOM 26030 H1 TIP3 8958 62.615 27.868 58.958 1.00 0.00 WT1 H ATOM 26031 H2 TIP3 8958 61.530 27.568 57.947 1.00 0.00 WT1 H ATOM 26032 OH2 TIP3 8959 24.510 43.032 27.061 1.00 0.00 WT1 O ATOM 26033 H1 TIP3 8959 24.283 42.630 26.223 1.00 0.00 WT1 H ATOM 26034 H2 TIP3 8959 23.673 43.131 27.515 1.00 0.00 WT1 H ATOM 26035 OH2 TIP3 8960 42.733 1.660 43.944 1.00 0.00 WT1 O ATOM 26036 H1 TIP3 8960 41.899 2.112 44.068 1.00 0.00 WT1 H ATOM 26037 H2 TIP3 8960 43.199 1.784 44.771 1.00 0.00 WT1 H ATOM 26038 OH2 TIP3 8961 22.445 73.961 6.544 1.00 0.00 WT1 O ATOM 26039 H1 TIP3 8961 22.775 73.894 7.440 1.00 0.00 WT1 H ATOM 26040 H2 TIP3 8961 23.160 74.367 6.054 1.00 0.00 WT1 H ATOM 26041 OH2 TIP3 8962 63.544 38.849 -4.364 1.00 0.00 WT1 O ATOM 26042 H1 TIP3 8962 62.727 38.895 -3.867 1.00 0.00 WT1 H ATOM 26043 H2 TIP3 8962 63.588 37.944 -4.670 1.00 0.00 WT1 H ATOM 26044 OH2 TIP3 8963 23.819 94.747 34.188 1.00 0.00 WT1 O ATOM 26045 H1 TIP3 8963 24.072 94.129 33.502 1.00 0.00 WT1 H ATOM 26046 H2 TIP3 8963 23.139 94.290 34.683 1.00 0.00 WT1 H ATOM 26047 OH2 TIP3 8964 83.020 11.981 -14.274 1.00 0.00 WT1 O ATOM 26048 H1 TIP3 8964 83.597 12.730 -14.424 1.00 0.00 WT1 H ATOM 26049 H2 TIP3 8964 83.191 11.395 -15.011 1.00 0.00 WT1 H ATOM 26050 OH2 TIP3 8965 22.459 29.838 53.176 1.00 0.00 WT1 O ATOM 26051 H1 TIP3 8965 21.966 29.283 52.572 1.00 0.00 WT1 H ATOM 26052 H2 TIP3 8965 22.515 30.685 52.733 1.00 0.00 WT1 H ATOM 26053 OH2 TIP3 8966 25.814 47.705 31.866 1.00 0.00 WT1 O ATOM 26054 H1 TIP3 8966 26.382 48.371 32.253 1.00 0.00 WT1 H ATOM 26055 H2 TIP3 8966 25.837 47.887 30.926 1.00 0.00 WT1 H ATOM 26056 OH2 TIP3 8967 82.119 29.849 54.838 1.00 0.00 WT1 O ATOM 26057 H1 TIP3 8967 82.217 28.926 54.606 1.00 0.00 WT1 H ATOM 26058 H2 TIP3 8967 82.064 30.304 53.997 1.00 0.00 WT1 H ATOM 26059 OH2 TIP3 8968 78.716 41.795 3.561 1.00 0.00 WT1 O ATOM 26060 H1 TIP3 8968 79.122 42.524 4.030 1.00 0.00 WT1 H ATOM 26061 H2 TIP3 8968 77.981 41.533 4.115 1.00 0.00 WT1 H ATOM 26062 OH2 TIP3 8969 67.455 74.819 3.399 1.00 0.00 WT1 O ATOM 26063 H1 TIP3 8969 66.711 74.316 3.732 1.00 0.00 WT1 H ATOM 26064 H2 TIP3 8969 67.205 75.053 2.505 1.00 0.00 WT1 H ATOM 26065 OH2 TIP3 8970 28.700 76.047 -10.696 1.00 0.00 WT1 O ATOM 26066 H1 TIP3 8970 29.044 75.714 -11.525 1.00 0.00 WT1 H ATOM 26067 H2 TIP3 8970 28.949 75.386 -10.050 1.00 0.00 WT1 H ATOM 26068 OH2 TIP3 8971 73.664 29.407 -18.610 1.00 0.00 WT1 O ATOM 26069 H1 TIP3 8971 73.139 29.811 -19.300 1.00 0.00 WT1 H ATOM 26070 H2 TIP3 8971 74.226 28.783 -19.069 1.00 0.00 WT1 H ATOM 26071 OH2 TIP3 8972 51.588 32.595 35.756 1.00 0.00 WT1 O ATOM 26072 H1 TIP3 8972 50.882 31.964 35.890 1.00 0.00 WT1 H ATOM 26073 H2 TIP3 8972 51.237 33.422 36.087 1.00 0.00 WT1 H ATOM 26074 OH2 TIP3 8973 67.127 60.984 -3.001 1.00 0.00 WT1 O ATOM 26075 H1 TIP3 8973 66.393 61.145 -2.407 1.00 0.00 WT1 H ATOM 26076 H2 TIP3 8973 67.484 60.142 -2.718 1.00 0.00 WT1 H ATOM 26077 OH2 TIP3 8974 52.769 64.562 58.309 1.00 0.00 WT1 O ATOM 26078 H1 TIP3 8974 53.475 65.209 58.286 1.00 0.00 WT1 H ATOM 26079 H2 TIP3 8974 52.973 63.959 57.594 1.00 0.00 WT1 H ATOM 26080 OH2 TIP3 8975 29.945 13.384 -6.166 1.00 0.00 WT1 O ATOM 26081 H1 TIP3 8975 29.718 12.470 -6.339 1.00 0.00 WT1 H ATOM 26082 H2 TIP3 8975 29.967 13.793 -7.031 1.00 0.00 WT1 H ATOM 26083 OH2 TIP3 8976 39.741 66.992 14.878 1.00 0.00 WT1 O ATOM 26084 H1 TIP3 8976 40.159 66.964 14.017 1.00 0.00 WT1 H ATOM 26085 H2 TIP3 8976 40.136 66.267 15.361 1.00 0.00 WT1 H ATOM 26086 OH2 TIP3 8977 40.160 81.723 18.840 1.00 0.00 WT1 O ATOM 26087 H1 TIP3 8977 39.654 80.922 18.704 1.00 0.00 WT1 H ATOM 26088 H2 TIP3 8977 41.036 81.512 18.516 1.00 0.00 WT1 H ATOM 26089 OH2 TIP3 8978 55.832 1.981 -18.346 1.00 0.00 WT1 O ATOM 26090 H1 TIP3 8978 56.351 2.722 -18.032 1.00 0.00 WT1 H ATOM 26091 H2 TIP3 8978 55.108 1.914 -17.723 1.00 0.00 WT1 H ATOM 26092 OH2 TIP3 8979 61.128 33.853 12.269 1.00 0.00 WT1 O ATOM 26093 H1 TIP3 8979 60.308 33.365 12.335 1.00 0.00 WT1 H ATOM 26094 H2 TIP3 8979 60.898 34.644 11.780 1.00 0.00 WT1 H ATOM 26095 OH2 TIP3 8980 50.927 39.309 48.941 1.00 0.00 WT1 O ATOM 26096 H1 TIP3 8980 51.515 39.868 48.434 1.00 0.00 WT1 H ATOM 26097 H2 TIP3 8980 50.061 39.698 48.817 1.00 0.00 WT1 H ATOM 26098 OH2 TIP3 8981 67.727 40.386 27.627 1.00 0.00 WT1 O ATOM 26099 H1 TIP3 8981 68.166 40.378 26.776 1.00 0.00 WT1 H ATOM 26100 H2 TIP3 8981 67.080 41.088 27.557 1.00 0.00 WT1 H ATOM 26101 OH2 TIP3 8982 84.720 62.875 9.313 1.00 0.00 WT1 O ATOM 26102 H1 TIP3 8982 85.285 62.101 9.319 1.00 0.00 WT1 H ATOM 26103 H2 TIP3 8982 84.446 62.978 10.225 1.00 0.00 WT1 H ATOM 26104 OH2 TIP3 8983 26.400 52.609 -17.546 1.00 0.00 WT1 O ATOM 26105 H1 TIP3 8983 27.312 52.725 -17.280 1.00 0.00 WT1 H ATOM 26106 H2 TIP3 8983 25.893 52.802 -16.757 1.00 0.00 WT1 H ATOM 26107 OH2 TIP3 8984 25.723 73.498 62.503 1.00 0.00 WT1 O ATOM 26108 H1 TIP3 8984 26.237 72.736 62.236 1.00 0.00 WT1 H ATOM 26109 H2 TIP3 8984 26.235 73.898 63.206 1.00 0.00 WT1 H ATOM 26110 OH2 TIP3 8985 66.389 80.611 -8.380 1.00 0.00 WT1 O ATOM 26111 H1 TIP3 8985 66.986 80.635 -7.632 1.00 0.00 WT1 H ATOM 26112 H2 TIP3 8985 66.160 79.687 -8.474 1.00 0.00 WT1 H ATOM 26113 OH2 TIP3 8986 66.101 34.933 46.680 1.00 0.00 WT1 O ATOM 26114 H1 TIP3 8986 65.221 34.831 47.041 1.00 0.00 WT1 H ATOM 26115 H2 TIP3 8986 66.396 35.785 47.003 1.00 0.00 WT1 H ATOM 26116 OH2 TIP3 8987 66.189 29.903 60.526 1.00 0.00 WT1 O ATOM 26117 H1 TIP3 8987 65.414 29.746 59.987 1.00 0.00 WT1 H ATOM 26118 H2 TIP3 8987 65.847 30.002 61.415 1.00 0.00 WT1 H ATOM 26119 OH2 TIP3 8988 26.804 7.943 55.886 1.00 0.00 WT1 O ATOM 26120 H1 TIP3 8988 27.019 7.875 56.816 1.00 0.00 WT1 H ATOM 26121 H2 TIP3 8988 27.168 7.147 55.497 1.00 0.00 WT1 H ATOM 26122 OH2 TIP3 8989 69.779 93.819 18.404 1.00 0.00 WT1 O ATOM 26123 H1 TIP3 8989 69.907 94.607 17.877 1.00 0.00 WT1 H ATOM 26124 H2 TIP3 8989 69.189 93.275 17.882 1.00 0.00 WT1 H ATOM 26125 OH2 TIP3 8990 88.598 63.561 1.282 1.00 0.00 WT1 O ATOM 26126 H1 TIP3 8990 88.509 64.411 1.714 1.00 0.00 WT1 H ATOM 26127 H2 TIP3 8990 88.355 62.924 1.953 1.00 0.00 WT1 H ATOM 26128 OH2 TIP3 8991 38.760 0.580 16.033 1.00 0.00 WT1 O ATOM 26129 H1 TIP3 8991 39.085 -0.046 16.679 1.00 0.00 WT1 H ATOM 26130 H2 TIP3 8991 38.265 0.047 15.410 1.00 0.00 WT1 H ATOM 26131 OH2 TIP3 8992 88.043 53.428 48.370 1.00 0.00 WT1 O ATOM 26132 H1 TIP3 8992 87.177 53.487 47.967 1.00 0.00 WT1 H ATOM 26133 H2 TIP3 8992 88.615 53.922 47.783 1.00 0.00 WT1 H ATOM 26134 OH2 TIP3 8993 69.493 73.380 52.481 1.00 0.00 WT1 O ATOM 26135 H1 TIP3 8993 69.466 73.128 53.404 1.00 0.00 WT1 H ATOM 26136 H2 TIP3 8993 69.353 72.562 52.005 1.00 0.00 WT1 H ATOM 26137 OH2 TIP3 8994 58.929 65.315 31.828 1.00 0.00 WT1 O ATOM 26138 H1 TIP3 8994 58.872 66.223 31.531 1.00 0.00 WT1 H ATOM 26139 H2 TIP3 8994 58.285 64.848 31.296 1.00 0.00 WT1 H ATOM 26140 OH2 TIP3 8995 82.147 11.753 -5.548 1.00 0.00 WT1 O ATOM 26141 H1 TIP3 8995 81.210 11.707 -5.361 1.00 0.00 WT1 H ATOM 26142 H2 TIP3 8995 82.494 12.358 -4.892 1.00 0.00 WT1 H ATOM 26143 OH2 TIP3 8996 30.370 31.030 51.063 1.00 0.00 WT1 O ATOM 26144 H1 TIP3 8996 30.225 30.134 50.758 1.00 0.00 WT1 H ATOM 26145 H2 TIP3 8996 29.970 31.580 50.390 1.00 0.00 WT1 H ATOM 26146 OH2 TIP3 8997 82.544 43.920 31.648 1.00 0.00 WT1 O ATOM 26147 H1 TIP3 8997 81.710 44.035 32.103 1.00 0.00 WT1 H ATOM 26148 H2 TIP3 8997 82.886 43.090 31.979 1.00 0.00 WT1 H ATOM 26149 OH2 TIP3 8998 90.280 7.787 51.427 1.00 0.00 WT1 O ATOM 26150 H1 TIP3 8998 90.359 6.869 51.166 1.00 0.00 WT1 H ATOM 26151 H2 TIP3 8998 89.372 8.015 51.227 1.00 0.00 WT1 H ATOM 26152 OH2 TIP3 8999 28.417 42.965 51.623 1.00 0.00 WT1 O ATOM 26153 H1 TIP3 8999 28.849 42.371 52.237 1.00 0.00 WT1 H ATOM 26154 H2 TIP3 8999 27.498 42.700 51.639 1.00 0.00 WT1 H ATOM 26155 OH2 TIP3 9000 58.559 59.716 30.261 1.00 0.00 WT1 O ATOM 26156 H1 TIP3 9000 57.972 59.902 29.528 1.00 0.00 WT1 H ATOM 26157 H2 TIP3 9000 58.522 60.503 30.804 1.00 0.00 WT1 H ATOM 26158 OH2 TIP3 9001 32.718 93.614 4.827 1.00 0.00 WT1 O ATOM 26159 H1 TIP3 9001 32.615 93.411 5.757 1.00 0.00 WT1 H ATOM 26160 H2 TIP3 9001 32.059 93.075 4.389 1.00 0.00 WT1 H ATOM 26161 OH2 TIP3 9002 66.480 37.804 27.648 1.00 0.00 WT1 O ATOM 26162 H1 TIP3 9002 66.815 38.662 27.912 1.00 0.00 WT1 H ATOM 26163 H2 TIP3 9002 66.304 37.352 28.473 1.00 0.00 WT1 H ATOM 26164 OH2 TIP3 9003 82.411 35.254 61.204 1.00 0.00 WT1 O ATOM 26165 H1 TIP3 9003 82.938 36.009 61.468 1.00 0.00 WT1 H ATOM 26166 H2 TIP3 9003 81.670 35.255 61.809 1.00 0.00 WT1 H ATOM 26167 OH2 TIP3 9004 59.502 67.748 36.254 1.00 0.00 WT1 O ATOM 26168 H1 TIP3 9004 59.255 66.823 36.251 1.00 0.00 WT1 H ATOM 26169 H2 TIP3 9004 59.008 68.131 35.529 1.00 0.00 WT1 H ATOM 26170 OH2 TIP3 9005 38.829 67.547 35.382 1.00 0.00 WT1 O ATOM 26171 H1 TIP3 9005 39.586 67.799 35.912 1.00 0.00 WT1 H ATOM 26172 H2 TIP3 9005 38.858 68.136 34.628 1.00 0.00 WT1 H ATOM 26173 OH2 TIP3 9006 87.552 33.818 19.235 1.00 0.00 WT1 O ATOM 26174 H1 TIP3 9006 87.125 33.616 20.068 1.00 0.00 WT1 H ATOM 26175 H2 TIP3 9006 87.770 32.964 18.863 1.00 0.00 WT1 H ATOM 26176 OH2 TIP3 9007 46.748 25.085 -8.489 1.00 0.00 WT1 O ATOM 26177 H1 TIP3 9007 47.696 24.951 -8.510 1.00 0.00 WT1 H ATOM 26178 H2 TIP3 9007 46.493 24.855 -7.596 1.00 0.00 WT1 H ATOM 26179 OH2 TIP3 9008 44.284 43.977 -7.265 1.00 0.00 WT1 O ATOM 26180 H1 TIP3 9008 43.470 44.413 -7.013 1.00 0.00 WT1 H ATOM 26181 H2 TIP3 9008 44.571 43.525 -6.470 1.00 0.00 WT1 H ATOM 26182 OH2 TIP3 9009 67.186 12.339 -13.880 1.00 0.00 WT1 O ATOM 26183 H1 TIP3 9009 67.251 13.288 -13.770 1.00 0.00 WT1 H ATOM 26184 H2 TIP3 9009 67.713 12.150 -14.656 1.00 0.00 WT1 H ATOM 26185 OH2 TIP3 9010 55.402 52.235 -16.695 1.00 0.00 WT1 O ATOM 26186 H1 TIP3 9010 54.933 52.076 -15.876 1.00 0.00 WT1 H ATOM 26187 H2 TIP3 9010 55.926 53.017 -16.524 1.00 0.00 WT1 H ATOM 26188 OH2 TIP3 9011 54.707 61.466 23.776 1.00 0.00 WT1 O ATOM 26189 H1 TIP3 9011 54.196 61.068 23.072 1.00 0.00 WT1 H ATOM 26190 H2 TIP3 9011 55.119 60.726 24.222 1.00 0.00 WT1 H ATOM 26191 OH2 TIP3 9012 32.991 21.188 46.890 1.00 0.00 WT1 O ATOM 26192 H1 TIP3 9012 33.906 20.942 47.028 1.00 0.00 WT1 H ATOM 26193 H2 TIP3 9012 32.667 21.407 47.763 1.00 0.00 WT1 H ATOM 26194 OH2 TIP3 9013 78.935 92.973 54.392 1.00 0.00 WT1 O ATOM 26195 H1 TIP3 9013 78.440 92.839 55.200 1.00 0.00 WT1 H ATOM 26196 H2 TIP3 9013 78.730 93.871 54.131 1.00 0.00 WT1 H ATOM 26197 OH2 TIP3 9014 37.169 91.156 41.345 1.00 0.00 WT1 O ATOM 26198 H1 TIP3 9014 38.080 91.429 41.454 1.00 0.00 WT1 H ATOM 26199 H2 TIP3 9014 36.943 90.738 42.176 1.00 0.00 WT1 H ATOM 26200 OH2 TIP3 9015 47.421 80.998 59.513 1.00 0.00 WT1 O ATOM 26201 H1 TIP3 9015 46.732 80.333 59.519 1.00 0.00 WT1 H ATOM 26202 H2 TIP3 9015 48.014 80.735 60.217 1.00 0.00 WT1 H ATOM 26203 OH2 TIP3 9016 62.496 7.963 42.642 1.00 0.00 WT1 O ATOM 26204 H1 TIP3 9016 62.036 8.211 41.840 1.00 0.00 WT1 H ATOM 26205 H2 TIP3 9016 61.919 7.326 43.063 1.00 0.00 WT1 H ATOM 26206 OH2 TIP3 9017 83.780 19.468 -0.278 1.00 0.00 WT1 O ATOM 26207 H1 TIP3 9017 84.720 19.317 -0.380 1.00 0.00 WT1 H ATOM 26208 H2 TIP3 9017 83.720 20.284 0.219 1.00 0.00 WT1 H ATOM 26209 OH2 TIP3 9018 59.956 45.418 38.126 1.00 0.00 WT1 O ATOM 26210 H1 TIP3 9018 60.880 45.614 37.968 1.00 0.00 WT1 H ATOM 26211 H2 TIP3 9018 59.484 46.152 37.733 1.00 0.00 WT1 H ATOM 26212 OH2 TIP3 9019 68.824 35.578 42.335 1.00 0.00 WT1 O ATOM 26213 H1 TIP3 9019 68.565 35.191 43.171 1.00 0.00 WT1 H ATOM 26214 H2 TIP3 9019 69.209 34.852 41.844 1.00 0.00 WT1 H ATOM 26215 OH2 TIP3 9020 24.746 58.357 15.623 1.00 0.00 WT1 O ATOM 26216 H1 TIP3 9020 24.978 58.020 16.488 1.00 0.00 WT1 H ATOM 26217 H2 TIP3 9020 25.200 59.197 15.563 1.00 0.00 WT1 H ATOM 26218 OH2 TIP3 9021 87.316 13.274 56.716 1.00 0.00 WT1 O ATOM 26219 H1 TIP3 9021 87.021 12.979 57.577 1.00 0.00 WT1 H ATOM 26220 H2 TIP3 9021 86.777 14.043 56.529 1.00 0.00 WT1 H ATOM 26221 OH2 TIP3 9022 27.596 21.645 30.639 1.00 0.00 WT1 O ATOM 26222 H1 TIP3 9022 27.508 22.582 30.466 1.00 0.00 WT1 H ATOM 26223 H2 TIP3 9022 27.825 21.265 29.791 1.00 0.00 WT1 H ATOM 26224 OH2 TIP3 9023 53.293 37.534 9.703 1.00 0.00 WT1 O ATOM 26225 H1 TIP3 9023 52.723 37.168 10.379 1.00 0.00 WT1 H ATOM 26226 H2 TIP3 9023 53.846 38.161 10.169 1.00 0.00 WT1 H ATOM 26227 OH2 TIP3 9024 62.280 9.377 52.726 1.00 0.00 WT1 O ATOM 26228 H1 TIP3 9024 63.151 9.384 53.124 1.00 0.00 WT1 H ATOM 26229 H2 TIP3 9024 62.427 9.655 51.822 1.00 0.00 WT1 H ATOM 26230 OH2 TIP3 9025 62.325 17.350 39.025 1.00 0.00 WT1 O ATOM 26231 H1 TIP3 9025 62.578 16.462 39.278 1.00 0.00 WT1 H ATOM 26232 H2 TIP3 9025 61.371 17.358 39.096 1.00 0.00 WT1 H ATOM 26233 OH2 TIP3 9026 49.047 30.038 65.783 1.00 0.00 WT1 O ATOM 26234 H1 TIP3 9026 49.695 30.686 65.507 1.00 0.00 WT1 H ATOM 26235 H2 TIP3 9026 48.219 30.361 65.430 1.00 0.00 WT1 H ATOM 26236 OH2 TIP3 9027 44.714 77.541 32.357 1.00 0.00 WT1 O ATOM 26237 H1 TIP3 9027 45.530 77.511 31.857 1.00 0.00 WT1 H ATOM 26238 H2 TIP3 9027 44.582 76.641 32.655 1.00 0.00 WT1 H ATOM 26239 OH2 TIP3 9028 48.575 25.010 -2.277 1.00 0.00 WT1 O ATOM 26240 H1 TIP3 9028 48.177 25.384 -3.064 1.00 0.00 WT1 H ATOM 26241 H2 TIP3 9028 48.395 25.650 -1.589 1.00 0.00 WT1 H ATOM 26242 OH2 TIP3 9029 48.338 6.534 5.700 1.00 0.00 WT1 O ATOM 26243 H1 TIP3 9029 48.456 6.344 4.770 1.00 0.00 WT1 H ATOM 26244 H2 TIP3 9029 47.684 5.900 5.993 1.00 0.00 WT1 H ATOM 26245 OH2 TIP3 9030 55.266 49.744 -5.832 1.00 0.00 WT1 O ATOM 26246 H1 TIP3 9030 54.823 50.165 -5.096 1.00 0.00 WT1 H ATOM 26247 H2 TIP3 9030 55.968 49.233 -5.429 1.00 0.00 WT1 H ATOM 26248 OH2 TIP3 9032 31.502 1.291 51.214 1.00 0.00 WT1 O ATOM 26249 H1 TIP3 9032 32.244 1.896 51.225 1.00 0.00 WT1 H ATOM 26250 H2 TIP3 9032 31.900 0.422 51.265 1.00 0.00 WT1 H ATOM 26251 OH2 TIP3 9033 65.788 0.959 38.201 1.00 0.00 WT1 O ATOM 26252 H1 TIP3 9033 65.550 1.851 37.947 1.00 0.00 WT1 H ATOM 26253 H2 TIP3 9033 65.203 0.400 37.689 1.00 0.00 WT1 H ATOM 26254 OH2 TIP3 9034 73.318 62.770 57.191 1.00 0.00 WT1 O ATOM 26255 H1 TIP3 9034 73.108 63.681 57.397 1.00 0.00 WT1 H ATOM 26256 H2 TIP3 9034 72.792 62.258 57.806 1.00 0.00 WT1 H ATOM 26257 OH2 TIP3 9035 44.141 15.965 23.082 1.00 0.00 WT1 O ATOM 26258 H1 TIP3 9035 43.334 16.404 22.811 1.00 0.00 WT1 H ATOM 26259 H2 TIP3 9035 44.421 16.441 23.863 1.00 0.00 WT1 H ATOM 26260 OH2 TIP3 9036 44.033 20.487 59.031 1.00 0.00 WT1 O ATOM 26261 H1 TIP3 9036 44.890 20.754 58.700 1.00 0.00 WT1 H ATOM 26262 H2 TIP3 9036 43.438 20.620 58.293 1.00 0.00 WT1 H ATOM 26263 OH2 TIP3 9037 23.945 28.372 5.753 1.00 0.00 WT1 O ATOM 26264 H1 TIP3 9037 23.837 28.486 6.698 1.00 0.00 WT1 H ATOM 26265 H2 TIP3 9037 23.158 27.904 5.476 1.00 0.00 WT1 H ATOM 26266 OH2 TIP3 9038 24.753 93.284 49.259 1.00 0.00 WT1 O ATOM 26267 H1 TIP3 9038 25.265 93.861 49.825 1.00 0.00 WT1 H ATOM 26268 H2 TIP3 9038 25.304 93.152 48.488 1.00 0.00 WT1 H ATOM 26269 OH2 TIP3 9039 47.089 80.561 29.379 1.00 0.00 WT1 O ATOM 26270 H1 TIP3 9039 47.236 79.959 30.109 1.00 0.00 WT1 H ATOM 26271 H2 TIP3 9039 47.525 80.147 28.635 1.00 0.00 WT1 H ATOM 26272 OH2 TIP3 9040 82.498 59.802 -1.173 1.00 0.00 WT1 O ATOM 26273 H1 TIP3 9040 81.689 59.365 -0.905 1.00 0.00 WT1 H ATOM 26274 H2 TIP3 9040 82.211 60.652 -1.508 1.00 0.00 WT1 H ATOM 26275 OH2 TIP3 9041 29.319 7.327 33.086 1.00 0.00 WT1 O ATOM 26276 H1 TIP3 9041 29.379 7.846 33.888 1.00 0.00 WT1 H ATOM 26277 H2 TIP3 9041 28.460 7.544 32.724 1.00 0.00 WT1 H ATOM 26278 OH2 TIP3 9042 31.946 8.876 9.223 1.00 0.00 WT1 O ATOM 26279 H1 TIP3 9042 32.028 9.129 10.142 1.00 0.00 WT1 H ATOM 26280 H2 TIP3 9042 32.800 8.507 8.998 1.00 0.00 WT1 H ATOM 26281 OH2 TIP3 9043 50.420 2.183 -17.824 1.00 0.00 WT1 O ATOM 26282 H1 TIP3 9043 50.035 2.499 -17.007 1.00 0.00 WT1 H ATOM 26283 H2 TIP3 9043 50.986 2.898 -18.115 1.00 0.00 WT1 H ATOM 26284 OH2 TIP3 9044 52.272 0.118 8.589 1.00 0.00 WT1 O ATOM 26285 H1 TIP3 9044 52.027 -0.512 9.266 1.00 0.00 WT1 H ATOM 26286 H2 TIP3 9044 52.520 0.906 9.072 1.00 0.00 WT1 H ATOM 26287 OH2 TIP3 9045 74.590 52.180 33.620 1.00 0.00 WT1 O ATOM 26288 H1 TIP3 9045 73.684 51.870 33.615 1.00 0.00 WT1 H ATOM 26289 H2 TIP3 9045 74.776 52.389 32.705 1.00 0.00 WT1 H ATOM 26290 OH2 TIP3 9046 72.690 18.075 39.367 1.00 0.00 WT1 O ATOM 26291 H1 TIP3 9046 72.300 17.532 40.051 1.00 0.00 WT1 H ATOM 26292 H2 TIP3 9046 71.979 18.649 39.082 1.00 0.00 WT1 H ATOM 26293 OH2 TIP3 9047 84.719 22.893 -19.536 1.00 0.00 WT1 O ATOM 26294 H1 TIP3 9047 84.805 23.669 -18.983 1.00 0.00 WT1 H ATOM 26295 H2 TIP3 9047 84.858 22.157 -18.940 1.00 0.00 WT1 H ATOM 26296 OH2 TIP3 9048 84.241 0.009 12.514 1.00 0.00 WT1 O ATOM 26297 H1 TIP3 9048 85.176 0.120 12.687 1.00 0.00 WT1 H ATOM 26298 H2 TIP3 9048 84.195 -0.239 11.591 1.00 0.00 WT1 H ATOM 26299 OH2 TIP3 9049 22.617 18.292 15.668 1.00 0.00 WT1 O ATOM 26300 H1 TIP3 9049 23.178 18.725 16.311 1.00 0.00 WT1 H ATOM 26301 H2 TIP3 9049 21.734 18.366 16.032 1.00 0.00 WT1 H ATOM 26302 OH2 TIP3 9050 20.287 28.909 39.561 1.00 0.00 WT1 O ATOM 26303 H1 TIP3 9050 20.872 28.153 39.615 1.00 0.00 WT1 H ATOM 26304 H2 TIP3 9050 19.414 28.530 39.457 1.00 0.00 WT1 H ATOM 26305 OH2 TIP3 9051 25.651 68.546 43.205 1.00 0.00 WT1 O ATOM 26306 H1 TIP3 9051 26.254 67.833 43.414 1.00 0.00 WT1 H ATOM 26307 H2 TIP3 9051 25.443 68.421 42.279 1.00 0.00 WT1 H ATOM 26308 OH2 TIP3 9052 72.152 71.032 21.635 1.00 0.00 WT1 O ATOM 26309 H1 TIP3 9052 72.256 70.275 22.212 1.00 0.00 WT1 H ATOM 26310 H2 TIP3 9052 71.308 70.892 21.206 1.00 0.00 WT1 H ATOM 26311 OH2 TIP3 9053 41.186 87.513 -14.160 1.00 0.00 WT1 O ATOM 26312 H1 TIP3 9053 41.092 88.465 -14.132 1.00 0.00 WT1 H ATOM 26313 H2 TIP3 9053 41.594 87.336 -15.008 1.00 0.00 WT1 H ATOM 26314 OH2 TIP3 9054 25.860 56.981 -11.765 1.00 0.00 WT1 O ATOM 26315 H1 TIP3 9054 26.502 56.273 -11.823 1.00 0.00 WT1 H ATOM 26316 H2 TIP3 9054 25.461 56.872 -10.901 1.00 0.00 WT1 H ATOM 26317 OH2 TIP3 9055 50.973 89.124 -17.854 1.00 0.00 WT1 O ATOM 26318 H1 TIP3 9055 51.688 88.608 -17.483 1.00 0.00 WT1 H ATOM 26319 H2 TIP3 9055 50.529 89.501 -17.094 1.00 0.00 WT1 H ATOM 26320 OH2 TIP3 9056 63.001 14.015 24.261 1.00 0.00 WT1 O ATOM 26321 H1 TIP3 9056 63.300 13.899 25.163 1.00 0.00 WT1 H ATOM 26322 H2 TIP3 9056 62.076 13.767 24.281 1.00 0.00 WT1 H ATOM 26323 OH2 TIP3 9057 47.421 64.110 -18.283 1.00 0.00 WT1 O ATOM 26324 H1 TIP3 9057 47.658 64.714 -17.579 1.00 0.00 WT1 H ATOM 26325 H2 TIP3 9057 46.471 64.017 -18.209 1.00 0.00 WT1 H ATOM 26326 OH2 TIP3 9058 25.446 49.128 60.266 1.00 0.00 WT1 O ATOM 26327 H1 TIP3 9058 25.442 50.085 60.289 1.00 0.00 WT1 H ATOM 26328 H2 TIP3 9058 24.527 48.887 60.155 1.00 0.00 WT1 H ATOM 26329 OH2 TIP3 9059 63.920 5.615 50.288 1.00 0.00 WT1 O ATOM 26330 H1 TIP3 9059 63.008 5.525 50.563 1.00 0.00 WT1 H ATOM 26331 H2 TIP3 9059 64.312 6.193 50.943 1.00 0.00 WT1 H ATOM 26332 OH2 TIP3 9060 62.291 41.494 46.087 1.00 0.00 WT1 O ATOM 26333 H1 TIP3 9060 62.243 40.840 46.783 1.00 0.00 WT1 H ATOM 26334 H2 TIP3 9060 62.910 41.127 45.455 1.00 0.00 WT1 H ATOM 26335 OH2 TIP3 9061 22.889 40.751 63.772 1.00 0.00 WT1 O ATOM 26336 H1 TIP3 9061 23.382 41.534 63.528 1.00 0.00 WT1 H ATOM 26337 H2 TIP3 9061 22.214 41.069 64.371 1.00 0.00 WT1 H ATOM 26338 OH2 TIP3 9062 32.343 53.734 39.582 1.00 0.00 WT1 O ATOM 26339 H1 TIP3 9062 33.281 53.868 39.718 1.00 0.00 WT1 H ATOM 26340 H2 TIP3 9062 32.039 54.548 39.182 1.00 0.00 WT1 H ATOM 26341 OH2 TIP3 9063 65.161 44.651 32.415 1.00 0.00 WT1 O ATOM 26342 H1 TIP3 9063 64.824 44.738 31.523 1.00 0.00 WT1 H ATOM 26343 H2 TIP3 9063 64.598 45.220 32.941 1.00 0.00 WT1 H ATOM 26344 OH2 TIP3 9066 31.536 85.080 14.155 1.00 0.00 WT1 O ATOM 26345 H1 TIP3 9066 32.198 85.303 13.501 1.00 0.00 WT1 H ATOM 26346 H2 TIP3 9066 31.360 85.903 14.611 1.00 0.00 WT1 H ATOM 26347 OH2 TIP3 9067 88.048 75.702 11.092 1.00 0.00 WT1 O ATOM 26348 H1 TIP3 9067 87.990 75.349 10.204 1.00 0.00 WT1 H ATOM 26349 H2 TIP3 9067 88.508 75.027 11.589 1.00 0.00 WT1 H ATOM 26350 OH2 TIP3 9070 25.650 33.181 62.335 1.00 0.00 WT1 O ATOM 26351 H1 TIP3 9070 25.808 34.114 62.190 1.00 0.00 WT1 H ATOM 26352 H2 TIP3 9070 25.009 33.153 63.044 1.00 0.00 WT1 H ATOM 26353 OH2 TIP3 9071 21.391 43.131 16.786 1.00 0.00 WT1 O ATOM 26354 H1 TIP3 9071 21.381 42.232 16.456 1.00 0.00 WT1 H ATOM 26355 H2 TIP3 9071 21.713 43.054 17.684 1.00 0.00 WT1 H ATOM 26356 OH2 TIP3 9072 54.032 28.736 16.825 1.00 0.00 WT1 O ATOM 26357 H1 TIP3 9072 53.923 28.859 17.768 1.00 0.00 WT1 H ATOM 26358 H2 TIP3 9072 54.356 29.579 16.508 1.00 0.00 WT1 H ATOM 26359 OH2 TIP3 9073 69.876 87.863 4.308 1.00 0.00 WT1 O ATOM 26360 H1 TIP3 9073 69.113 87.637 4.841 1.00 0.00 WT1 H ATOM 26361 H2 TIP3 9073 69.903 87.189 3.629 1.00 0.00 WT1 H ATOM 26362 OH2 TIP3 9074 68.714 26.580 -12.603 1.00 0.00 WT1 O ATOM 26363 H1 TIP3 9074 69.087 25.797 -13.007 1.00 0.00 WT1 H ATOM 26364 H2 TIP3 9074 67.776 26.521 -12.785 1.00 0.00 WT1 H ATOM 26365 OH2 TIP3 9075 28.357 78.841 10.127 1.00 0.00 WT1 O ATOM 26366 H1 TIP3 9075 29.174 79.304 9.942 1.00 0.00 WT1 H ATOM 26367 H2 TIP3 9075 28.376 78.690 11.073 1.00 0.00 WT1 H ATOM 26368 OH2 TIP3 9076 83.168 68.016 31.848 1.00 0.00 WT1 O ATOM 26369 H1 TIP3 9076 82.438 67.541 32.246 1.00 0.00 WT1 H ATOM 26370 H2 TIP3 9076 83.694 67.338 31.424 1.00 0.00 WT1 H ATOM 26371 OH2 TIP3 9078 76.365 40.254 53.311 1.00 0.00 WT1 O ATOM 26372 H1 TIP3 9078 75.507 40.398 53.710 1.00 0.00 WT1 H ATOM 26373 H2 TIP3 9078 76.296 39.395 52.895 1.00 0.00 WT1 H ATOM 26374 OH2 TIP3 9079 85.781 41.197 55.973 1.00 0.00 WT1 O ATOM 26375 H1 TIP3 9079 85.483 41.046 56.870 1.00 0.00 WT1 H ATOM 26376 H2 TIP3 9079 85.426 42.056 55.743 1.00 0.00 WT1 H ATOM 26377 OH2 TIP3 9080 43.686 92.860 3.869 1.00 0.00 WT1 O ATOM 26378 H1 TIP3 9080 44.060 92.011 3.634 1.00 0.00 WT1 H ATOM 26379 H2 TIP3 9080 43.925 92.980 4.789 1.00 0.00 WT1 H ATOM 26380 OH2 TIP3 9081 83.643 30.083 -11.860 1.00 0.00 WT1 O ATOM 26381 H1 TIP3 9081 83.402 29.710 -12.708 1.00 0.00 WT1 H ATOM 26382 H2 TIP3 9081 83.548 31.028 -11.978 1.00 0.00 WT1 H ATOM 26383 OH2 TIP3 9082 46.816 56.009 9.204 1.00 0.00 WT1 O ATOM 26384 H1 TIP3 9082 47.106 56.906 9.370 1.00 0.00 WT1 H ATOM 26385 H2 TIP3 9082 47.625 55.516 9.070 1.00 0.00 WT1 H ATOM 26386 OH2 TIP3 9083 56.910 62.187 39.908 1.00 0.00 WT1 O ATOM 26387 H1 TIP3 9083 56.215 61.732 39.432 1.00 0.00 WT1 H ATOM 26388 H2 TIP3 9083 57.691 62.063 39.368 1.00 0.00 WT1 H ATOM 26389 OH2 TIP3 9084 45.865 92.558 20.447 1.00 0.00 WT1 O ATOM 26390 H1 TIP3 9084 45.853 91.606 20.549 1.00 0.00 WT1 H ATOM 26391 H2 TIP3 9084 45.932 92.894 21.340 1.00 0.00 WT1 H ATOM 26392 OH2 TIP3 9085 89.926 72.292 1.422 1.00 0.00 WT1 O ATOM 26393 H1 TIP3 9085 90.360 71.511 1.766 1.00 0.00 WT1 H ATOM 26394 H2 TIP3 9085 90.584 72.708 0.866 1.00 0.00 WT1 H ATOM 26395 OH2 TIP3 9086 58.499 44.371 -16.007 1.00 0.00 WT1 O ATOM 26396 H1 TIP3 9086 59.247 44.316 -15.412 1.00 0.00 WT1 H ATOM 26397 H2 TIP3 9086 58.719 45.085 -16.605 1.00 0.00 WT1 H ATOM 26398 OH2 TIP3 9087 80.533 32.432 45.940 1.00 0.00 WT1 O ATOM 26399 H1 TIP3 9087 81.001 33.264 45.862 1.00 0.00 WT1 H ATOM 26400 H2 TIP3 9087 79.894 32.581 46.637 1.00 0.00 WT1 H ATOM 26401 OH2 TIP3 9088 88.828 8.013 57.132 1.00 0.00 WT1 O ATOM 26402 H1 TIP3 9088 88.780 8.969 57.108 1.00 0.00 WT1 H ATOM 26403 H2 TIP3 9088 87.919 7.725 57.043 1.00 0.00 WT1 H ATOM 26404 OH2 TIP3 9089 71.931 33.253 30.332 1.00 0.00 WT1 O ATOM 26405 H1 TIP3 9089 72.485 34.002 30.550 1.00 0.00 WT1 H ATOM 26406 H2 TIP3 9089 72.419 32.493 30.650 1.00 0.00 WT1 H ATOM 26407 OH2 TIP3 9090 90.109 82.487 22.731 1.00 0.00 WT1 O ATOM 26408 H1 TIP3 9090 89.289 82.373 23.211 1.00 0.00 WT1 H ATOM 26409 H2 TIP3 9090 89.965 82.037 21.898 1.00 0.00 WT1 H ATOM 26410 OH2 TIP3 9091 88.103 32.573 42.091 1.00 0.00 WT1 O ATOM 26411 H1 TIP3 9091 87.923 32.182 42.946 1.00 0.00 WT1 H ATOM 26412 H2 TIP3 9091 88.572 31.892 41.609 1.00 0.00 WT1 H ATOM 26413 OH2 TIP3 9092 22.925 45.361 35.586 1.00 0.00 WT1 O ATOM 26414 H1 TIP3 9092 23.795 45.760 35.575 1.00 0.00 WT1 H ATOM 26415 H2 TIP3 9092 22.366 45.991 35.131 1.00 0.00 WT1 H ATOM 26416 OH2 TIP3 9093 47.936 68.696 -12.561 1.00 0.00 WT1 O ATOM 26417 H1 TIP3 9093 48.636 68.230 -13.017 1.00 0.00 WT1 H ATOM 26418 H2 TIP3 9093 47.730 68.141 -11.808 1.00 0.00 WT1 H ATOM 26419 OH2 TIP3 9094 78.813 1.914 -4.110 1.00 0.00 WT1 O ATOM 26420 H1 TIP3 9094 78.891 2.661 -3.516 1.00 0.00 WT1 H ATOM 26421 H2 TIP3 9094 79.704 1.574 -4.187 1.00 0.00 WT1 H ATOM 26422 OH2 TIP3 9095 27.030 58.232 36.004 1.00 0.00 WT1 O ATOM 26423 H1 TIP3 9095 27.071 59.141 36.298 1.00 0.00 WT1 H ATOM 26424 H2 TIP3 9095 27.224 58.274 35.067 1.00 0.00 WT1 H ATOM 26425 OH2 TIP3 9096 63.982 78.942 46.915 1.00 0.00 WT1 O ATOM 26426 H1 TIP3 9096 64.077 78.516 46.063 1.00 0.00 WT1 H ATOM 26427 H2 TIP3 9096 63.098 78.713 47.200 1.00 0.00 WT1 H ATOM 26428 OH2 TIP3 9097 74.839 64.946 22.155 1.00 0.00 WT1 O ATOM 26429 H1 TIP3 9097 75.419 64.643 21.456 1.00 0.00 WT1 H ATOM 26430 H2 TIP3 9097 74.605 64.151 22.634 1.00 0.00 WT1 H ATOM 26431 OH2 TIP3 9098 90.265 69.592 22.031 1.00 0.00 WT1 O ATOM 26432 H1 TIP3 9098 89.327 69.765 21.955 1.00 0.00 WT1 H ATOM 26433 H2 TIP3 9098 90.318 68.734 22.452 1.00 0.00 WT1 H ATOM 26434 OH2 TIP3 9099 44.428 42.285 57.945 1.00 0.00 WT1 O ATOM 26435 H1 TIP3 9099 44.459 43.171 57.586 1.00 0.00 WT1 H ATOM 26436 H2 TIP3 9099 44.660 42.392 58.868 1.00 0.00 WT1 H ATOM 26437 OH2 TIP3 9100 64.435 81.188 -0.723 1.00 0.00 WT1 O ATOM 26438 H1 TIP3 9100 64.733 80.682 0.033 1.00 0.00 WT1 H ATOM 26439 H2 TIP3 9100 63.776 80.632 -1.139 1.00 0.00 WT1 H ATOM 26440 OH2 TIP3 9101 54.361 22.949 57.467 1.00 0.00 WT1 O ATOM 26441 H1 TIP3 9101 54.478 23.889 57.607 1.00 0.00 WT1 H ATOM 26442 H2 TIP3 9101 54.528 22.824 56.532 1.00 0.00 WT1 H ATOM 26443 OH2 TIP3 9102 89.874 43.455 31.677 1.00 0.00 WT1 O ATOM 26444 H1 TIP3 9102 89.452 43.038 32.429 1.00 0.00 WT1 H ATOM 26445 H2 TIP3 9102 89.342 43.191 30.927 1.00 0.00 WT1 H ATOM 26446 OH2 TIP3 9103 74.151 57.787 22.983 1.00 0.00 WT1 O ATOM 26447 H1 TIP3 9103 73.392 57.354 23.373 1.00 0.00 WT1 H ATOM 26448 H2 TIP3 9103 73.811 58.196 22.187 1.00 0.00 WT1 H ATOM 26449 OH2 TIP3 9104 79.525 30.815 34.416 1.00 0.00 WT1 O ATOM 26450 H1 TIP3 9104 79.945 29.962 34.525 1.00 0.00 WT1 H ATOM 26451 H2 TIP3 9104 79.961 31.381 35.053 1.00 0.00 WT1 H ATOM 26452 OH2 TIP3 9105 42.629 33.618 1.953 1.00 0.00 WT1 O ATOM 26453 H1 TIP3 9105 42.255 32.739 2.023 1.00 0.00 WT1 H ATOM 26454 H2 TIP3 9105 42.008 34.179 2.418 1.00 0.00 WT1 H ATOM 26455 OH2 TIP3 9106 39.814 33.689 12.184 1.00 0.00 WT1 O ATOM 26456 H1 TIP3 9106 39.937 34.634 12.091 1.00 0.00 WT1 H ATOM 26457 H2 TIP3 9106 39.162 33.600 12.879 1.00 0.00 WT1 H ATOM 26458 OH2 TIP3 9107 34.364 78.546 18.578 1.00 0.00 WT1 O ATOM 26459 H1 TIP3 9107 34.021 78.801 19.435 1.00 0.00 WT1 H ATOM 26460 H2 TIP3 9107 33.743 78.918 17.951 1.00 0.00 WT1 H ATOM 26461 OH2 TIP3 9108 60.306 29.467 55.391 1.00 0.00 WT1 O ATOM 26462 H1 TIP3 9108 60.744 28.622 55.493 1.00 0.00 WT1 H ATOM 26463 H2 TIP3 9108 59.406 29.243 55.153 1.00 0.00 WT1 H ATOM 26464 OH2 TIP3 9109 64.830 11.233 24.365 1.00 0.00 WT1 O ATOM 26465 H1 TIP3 9109 65.190 11.286 25.250 1.00 0.00 WT1 H ATOM 26466 H2 TIP3 9109 65.045 12.076 23.967 1.00 0.00 WT1 H ATOM 26467 OH2 TIP3 9110 61.066 60.856 57.550 1.00 0.00 WT1 O ATOM 26468 H1 TIP3 9110 60.248 60.365 57.475 1.00 0.00 WT1 H ATOM 26469 H2 TIP3 9110 60.977 61.350 58.364 1.00 0.00 WT1 H ATOM 26470 OH2 TIP3 9111 77.160 36.418 66.316 1.00 0.00 WT1 O ATOM 26471 H1 TIP3 9111 77.761 35.970 66.912 1.00 0.00 WT1 H ATOM 26472 H2 TIP3 9111 77.376 36.069 65.451 1.00 0.00 WT1 H ATOM 26473 OH2 TIP3 9112 38.524 45.957 11.812 1.00 0.00 WT1 O ATOM 26474 H1 TIP3 9112 39.340 45.979 11.312 1.00 0.00 WT1 H ATOM 26475 H2 TIP3 9112 38.069 46.761 11.563 1.00 0.00 WT1 H ATOM 26476 OH2 TIP3 9113 59.789 83.051 46.026 1.00 0.00 WT1 O ATOM 26477 H1 TIP3 9113 60.036 82.634 45.201 1.00 0.00 WT1 H ATOM 26478 H2 TIP3 9113 58.869 82.815 46.147 1.00 0.00 WT1 H ATOM 26479 OH2 TIP3 9114 84.853 7.301 36.705 1.00 0.00 WT1 O ATOM 26480 H1 TIP3 9114 84.890 6.353 36.829 1.00 0.00 WT1 H ATOM 26481 H2 TIP3 9114 85.148 7.438 35.805 1.00 0.00 WT1 H ATOM 26482 OH2 TIP3 9115 40.915 16.694 45.949 1.00 0.00 WT1 O ATOM 26483 H1 TIP3 9115 40.254 16.370 45.336 1.00 0.00 WT1 H ATOM 26484 H2 TIP3 9115 41.706 16.792 45.419 1.00 0.00 WT1 H ATOM 26485 OH2 TIP3 9116 40.898 4.597 50.066 1.00 0.00 WT1 O ATOM 26486 H1 TIP3 9116 41.728 4.824 50.486 1.00 0.00 WT1 H ATOM 26487 H2 TIP3 9116 41.121 3.892 49.459 1.00 0.00 WT1 H ATOM 26488 OH2 TIP3 9117 40.388 92.704 8.487 1.00 0.00 WT1 O ATOM 26489 H1 TIP3 9117 40.181 91.876 8.054 1.00 0.00 WT1 H ATOM 26490 H2 TIP3 9117 41.293 92.602 8.781 1.00 0.00 WT1 H ATOM 26491 OH2 TIP3 9118 32.326 50.863 37.052 1.00 0.00 WT1 O ATOM 26492 H1 TIP3 9118 32.320 50.664 36.116 1.00 0.00 WT1 H ATOM 26493 H2 TIP3 9118 32.194 51.810 37.097 1.00 0.00 WT1 H ATOM 26494 OH2 TIP3 9119 27.098 37.636 65.435 1.00 0.00 WT1 O ATOM 26495 H1 TIP3 9119 26.209 37.298 65.330 1.00 0.00 WT1 H ATOM 26496 H2 TIP3 9119 27.192 38.284 64.736 1.00 0.00 WT1 H ATOM 26497 OH2 TIP3 9120 45.007 23.835 -2.025 1.00 0.00 WT1 O ATOM 26498 H1 TIP3 9120 45.685 23.562 -2.643 1.00 0.00 WT1 H ATOM 26499 H2 TIP3 9120 44.323 23.171 -2.110 1.00 0.00 WT1 H ATOM 26500 OH2 TIP3 9121 88.984 40.564 -8.673 1.00 0.00 WT1 O ATOM 26501 H1 TIP3 9121 88.153 41.011 -8.834 1.00 0.00 WT1 H ATOM 26502 H2 TIP3 9121 88.786 39.636 -8.799 1.00 0.00 WT1 H ATOM 26503 OH2 TIP3 9122 46.475 9.893 10.398 1.00 0.00 WT1 O ATOM 26504 H1 TIP3 9122 45.524 9.960 10.313 1.00 0.00 WT1 H ATOM 26505 H2 TIP3 9122 46.708 9.120 9.885 1.00 0.00 WT1 H ATOM 26506 OH2 TIP3 9123 21.499 46.718 29.744 1.00 0.00 WT1 O ATOM 26507 H1 TIP3 9123 21.952 47.523 29.995 1.00 0.00 WT1 H ATOM 26508 H2 TIP3 9123 20.851 46.997 29.098 1.00 0.00 WT1 H ATOM 26509 OH2 TIP3 9124 84.474 81.241 47.669 1.00 0.00 WT1 O ATOM 26510 H1 TIP3 9124 85.347 81.068 47.318 1.00 0.00 WT1 H ATOM 26511 H2 TIP3 9124 83.886 81.114 46.924 1.00 0.00 WT1 H ATOM 26512 OH2 TIP3 9125 44.403 55.939 17.945 1.00 0.00 WT1 O ATOM 26513 H1 TIP3 9125 44.893 56.758 18.014 1.00 0.00 WT1 H ATOM 26514 H2 TIP3 9125 45.068 55.275 17.764 1.00 0.00 WT1 H ATOM 26515 OH2 TIP3 9126 78.285 38.021 -4.120 1.00 0.00 WT1 O ATOM 26516 H1 TIP3 9126 78.366 37.619 -4.985 1.00 0.00 WT1 H ATOM 26517 H2 TIP3 9126 78.984 37.621 -3.603 1.00 0.00 WT1 H ATOM 26518 OH2 TIP3 9127 22.043 26.789 -13.593 1.00 0.00 WT1 O ATOM 26519 H1 TIP3 9127 21.209 26.589 -14.018 1.00 0.00 WT1 H ATOM 26520 H2 TIP3 9127 22.701 26.624 -14.268 1.00 0.00 WT1 H ATOM 26521 OH2 TIP3 9128 71.634 41.126 9.624 1.00 0.00 WT1 O ATOM 26522 H1 TIP3 9128 71.637 41.946 9.130 1.00 0.00 WT1 H ATOM 26523 H2 TIP3 9128 70.810 41.143 10.112 1.00 0.00 WT1 H ATOM 26524 OH2 TIP3 9129 70.000 96.358 17.217 1.00 0.00 WT1 O ATOM 26525 H1 TIP3 9129 69.752 96.734 16.373 1.00 0.00 WT1 H ATOM 26526 H2 TIP3 9129 70.267 97.110 17.746 1.00 0.00 WT1 H ATOM 26527 OH2 TIP3 9130 26.548 3.525 -8.945 1.00 0.00 WT1 O ATOM 26528 H1 TIP3 9130 25.663 3.436 -8.593 1.00 0.00 WT1 H ATOM 26529 H2 TIP3 9130 26.646 4.461 -9.115 1.00 0.00 WT1 H ATOM 26530 OH2 TIP3 9131 85.663 18.271 59.906 1.00 0.00 WT1 O ATOM 26531 H1 TIP3 9131 86.427 18.053 60.440 1.00 0.00 WT1 H ATOM 26532 H2 TIP3 9131 85.533 19.209 60.043 1.00 0.00 WT1 H ATOM 26533 OH2 TIP3 9132 21.020 39.080 18.434 1.00 0.00 WT1 O ATOM 26534 H1 TIP3 9132 20.947 39.380 19.340 1.00 0.00 WT1 H ATOM 26535 H2 TIP3 9132 21.509 38.259 18.492 1.00 0.00 WT1 H ATOM 26536 OH2 TIP3 9134 90.912 5.315 38.522 1.00 0.00 WT1 O ATOM 26537 H1 TIP3 9134 90.099 4.943 38.181 1.00 0.00 WT1 H ATOM 26538 H2 TIP3 9134 90.883 5.137 39.462 1.00 0.00 WT1 H ATOM 26539 OH2 TIP3 9135 47.466 33.908 41.686 1.00 0.00 WT1 O ATOM 26540 H1 TIP3 9135 48.175 34.279 42.212 1.00 0.00 WT1 H ATOM 26541 H2 TIP3 9135 47.481 34.412 40.873 1.00 0.00 WT1 H ATOM 26542 OH2 TIP3 9136 48.154 22.272 -11.785 1.00 0.00 WT1 O ATOM 26543 H1 TIP3 9136 47.590 22.190 -11.016 1.00 0.00 WT1 H ATOM 26544 H2 TIP3 9136 48.742 21.518 -11.733 1.00 0.00 WT1 H ATOM 26545 OH2 TIP3 9138 34.185 52.988 56.142 1.00 0.00 WT1 O ATOM 26546 H1 TIP3 9138 33.675 52.882 56.944 1.00 0.00 WT1 H ATOM 26547 H2 TIP3 9138 33.886 52.281 55.571 1.00 0.00 WT1 H ATOM 26548 OH2 TIP3 9139 60.709 32.131 55.574 1.00 0.00 WT1 O ATOM 26549 H1 TIP3 9139 61.280 32.246 54.814 1.00 0.00 WT1 H ATOM 26550 H2 TIP3 9139 60.495 31.199 55.575 1.00 0.00 WT1 H ATOM 26551 OH2 TIP3 9140 49.635 37.981 -6.110 1.00 0.00 WT1 O ATOM 26552 H1 TIP3 9140 50.376 37.643 -5.607 1.00 0.00 WT1 H ATOM 26553 H2 TIP3 9140 49.884 37.846 -7.025 1.00 0.00 WT1 H ATOM 26554 OH2 TIP3 9141 89.249 35.428 30.837 1.00 0.00 WT1 O ATOM 26555 H1 TIP3 9141 89.799 34.729 30.483 1.00 0.00 WT1 H ATOM 26556 H2 TIP3 9141 89.546 36.219 30.387 1.00 0.00 WT1 H ATOM 26557 OH2 TIP3 9142 45.629 11.412 50.310 1.00 0.00 WT1 O ATOM 26558 H1 TIP3 9142 45.232 10.557 50.147 1.00 0.00 WT1 H ATOM 26559 H2 TIP3 9142 45.926 11.707 49.449 1.00 0.00 WT1 H ATOM 26560 OH2 TIP3 9144 54.390 59.298 61.296 1.00 0.00 WT1 O ATOM 26561 H1 TIP3 9144 54.402 59.525 60.366 1.00 0.00 WT1 H ATOM 26562 H2 TIP3 9144 53.961 58.443 61.328 1.00 0.00 WT1 H ATOM 26563 OH2 TIP3 9145 64.855 22.035 45.202 1.00 0.00 WT1 O ATOM 26564 H1 TIP3 9145 65.065 22.900 44.849 1.00 0.00 WT1 H ATOM 26565 H2 TIP3 9145 65.416 21.948 45.973 1.00 0.00 WT1 H ATOM 26566 OH2 TIP3 9146 66.145 42.586 -7.649 1.00 0.00 WT1 O ATOM 26567 H1 TIP3 9146 65.511 42.502 -8.361 1.00 0.00 WT1 H ATOM 26568 H2 TIP3 9146 65.702 42.211 -6.888 1.00 0.00 WT1 H ATOM 26569 OH2 TIP3 9147 40.256 75.511 32.491 1.00 0.00 WT1 O ATOM 26570 H1 TIP3 9147 40.302 74.572 32.674 1.00 0.00 WT1 H ATOM 26571 H2 TIP3 9147 40.233 75.923 33.355 1.00 0.00 WT1 H ATOM 26572 OH2 TIP3 9148 74.918 63.019 31.272 1.00 0.00 WT1 O ATOM 26573 H1 TIP3 9148 74.520 63.871 31.093 1.00 0.00 WT1 H ATOM 26574 H2 TIP3 9148 74.329 62.387 30.861 1.00 0.00 WT1 H ATOM 26575 OH2 TIP3 9149 29.405 10.063 54.044 1.00 0.00 WT1 O ATOM 26576 H1 TIP3 9149 29.213 9.347 53.438 1.00 0.00 WT1 H ATOM 26577 H2 TIP3 9149 30.051 10.600 53.585 1.00 0.00 WT1 H ATOM 26578 OH2 TIP3 9150 50.790 79.678 43.081 1.00 0.00 WT1 O ATOM 26579 H1 TIP3 9150 51.310 78.875 43.032 1.00 0.00 WT1 H ATOM 26580 H2 TIP3 9150 50.039 79.445 43.626 1.00 0.00 WT1 H ATOM 26581 OH2 TIP3 9152 21.655 34.318 37.450 1.00 0.00 WT1 O ATOM 26582 H1 TIP3 9152 21.627 35.274 37.491 1.00 0.00 WT1 H ATOM 26583 H2 TIP3 9152 20.818 34.037 37.819 1.00 0.00 WT1 H ATOM 26584 OH2 TIP3 9153 72.280 53.974 16.051 1.00 0.00 WT1 O ATOM 26585 H1 TIP3 9153 71.335 54.103 15.973 1.00 0.00 WT1 H ATOM 26586 H2 TIP3 9153 72.549 53.642 15.194 1.00 0.00 WT1 H ATOM 26587 OH2 TIP3 9154 86.782 20.162 36.732 1.00 0.00 WT1 O ATOM 26588 H1 TIP3 9154 87.701 20.172 36.997 1.00 0.00 WT1 H ATOM 26589 H2 TIP3 9154 86.770 20.611 35.887 1.00 0.00 WT1 H ATOM 26590 OH2 TIP3 9155 73.495 43.435 21.941 1.00 0.00 WT1 O ATOM 26591 H1 TIP3 9155 73.379 44.257 22.418 1.00 0.00 WT1 H ATOM 26592 H2 TIP3 9155 72.805 43.443 21.278 1.00 0.00 WT1 H ATOM 26593 OH2 TIP3 9156 54.161 94.689 -3.447 1.00 0.00 WT1 O ATOM 26594 H1 TIP3 9156 53.392 94.342 -3.898 1.00 0.00 WT1 H ATOM 26595 H2 TIP3 9156 54.598 95.233 -4.102 1.00 0.00 WT1 H ATOM 26596 OH2 TIP3 9157 88.382 29.635 15.943 1.00 0.00 WT1 O ATOM 26597 H1 TIP3 9157 88.596 29.963 15.070 1.00 0.00 WT1 H ATOM 26598 H2 TIP3 9157 88.486 28.686 15.876 1.00 0.00 WT1 H ATOM 26599 OH2 TIP3 9158 89.280 73.947 61.238 1.00 0.00 WT1 O ATOM 26600 H1 TIP3 9158 89.309 74.744 60.709 1.00 0.00 WT1 H ATOM 26601 H2 TIP3 9158 88.898 73.288 60.657 1.00 0.00 WT1 H ATOM 26602 OH2 TIP3 9159 70.921 66.002 44.363 1.00 0.00 WT1 O ATOM 26603 H1 TIP3 9159 70.294 66.623 44.733 1.00 0.00 WT1 H ATOM 26604 H2 TIP3 9159 70.399 65.226 44.159 1.00 0.00 WT1 H ATOM 26605 OH2 TIP3 9160 52.310 41.416 10.828 1.00 0.00 WT1 O ATOM 26606 H1 TIP3 9160 53.028 40.790 10.739 1.00 0.00 WT1 H ATOM 26607 H2 TIP3 9160 51.540 40.874 11.005 1.00 0.00 WT1 H ATOM 26608 OH2 TIP3 9161 90.722 45.049 48.836 1.00 0.00 WT1 O ATOM 26609 H1 TIP3 9161 91.244 44.511 48.242 1.00 0.00 WT1 H ATOM 26610 H2 TIP3 9161 90.151 44.426 49.285 1.00 0.00 WT1 H ATOM 26611 OH2 TIP3 9162 66.965 30.036 41.498 1.00 0.00 WT1 O ATOM 26612 H1 TIP3 9162 67.434 29.833 42.308 1.00 0.00 WT1 H ATOM 26613 H2 TIP3 9162 66.139 30.421 41.790 1.00 0.00 WT1 H ATOM 26614 OH2 TIP3 9163 32.750 23.193 59.068 1.00 0.00 WT1 O ATOM 26615 H1 TIP3 9163 32.768 23.605 59.932 1.00 0.00 WT1 H ATOM 26616 H2 TIP3 9163 33.304 23.753 58.523 1.00 0.00 WT1 H ATOM 26617 OH2 TIP3 9164 26.231 75.328 38.780 1.00 0.00 WT1 O ATOM 26618 H1 TIP3 9164 25.882 76.170 39.071 1.00 0.00 WT1 H ATOM 26619 H2 TIP3 9164 27.135 75.516 38.528 1.00 0.00 WT1 H ATOM 26620 OH2 TIP3 9165 34.600 49.384 40.500 1.00 0.00 WT1 O ATOM 26621 H1 TIP3 9165 33.980 50.091 40.676 1.00 0.00 WT1 H ATOM 26622 H2 TIP3 9165 34.214 48.905 39.766 1.00 0.00 WT1 H ATOM 26623 OH2 TIP3 9166 74.685 91.033 19.086 1.00 0.00 WT1 O ATOM 26624 H1 TIP3 9166 74.980 90.891 18.187 1.00 0.00 WT1 H ATOM 26625 H2 TIP3 9166 75.044 90.293 19.576 1.00 0.00 WT1 H ATOM 26626 OH2 TIP3 9167 80.252 7.636 47.475 1.00 0.00 WT1 O ATOM 26627 H1 TIP3 9167 80.084 6.732 47.209 1.00 0.00 WT1 H ATOM 26628 H2 TIP3 9167 79.629 8.155 46.966 1.00 0.00 WT1 H ATOM 26629 OH2 TIP3 9168 26.476 39.769 40.653 1.00 0.00 WT1 O ATOM 26630 H1 TIP3 9168 25.614 39.598 40.275 1.00 0.00 WT1 H ATOM 26631 H2 TIP3 9168 27.069 39.784 39.902 1.00 0.00 WT1 H ATOM 26632 OH2 TIP3 9169 64.408 38.232 20.852 1.00 0.00 WT1 O ATOM 26633 H1 TIP3 9169 64.203 37.341 20.570 1.00 0.00 WT1 H ATOM 26634 H2 TIP3 9169 65.143 38.495 20.298 1.00 0.00 WT1 H ATOM 26635 OH2 TIP3 9170 86.729 17.878 -10.005 1.00 0.00 WT1 O ATOM 26636 H1 TIP3 9170 87.453 17.928 -9.380 1.00 0.00 WT1 H ATOM 26637 H2 TIP3 9170 86.646 16.945 -10.201 1.00 0.00 WT1 H ATOM 26638 OH2 TIP3 9171 59.697 86.147 14.568 1.00 0.00 WT1 O ATOM 26639 H1 TIP3 9171 59.813 85.879 15.480 1.00 0.00 WT1 H ATOM 26640 H2 TIP3 9171 59.413 85.352 14.118 1.00 0.00 WT1 H ATOM 26641 OH2 TIP3 9172 44.384 80.120 29.403 1.00 0.00 WT1 O ATOM 26642 H1 TIP3 9172 45.249 80.508 29.270 1.00 0.00 WT1 H ATOM 26643 H2 TIP3 9172 44.445 79.254 29.000 1.00 0.00 WT1 H ATOM 26644 OH2 TIP3 9173 48.385 39.114 45.440 1.00 0.00 WT1 O ATOM 26645 H1 TIP3 9173 47.811 39.717 44.966 1.00 0.00 WT1 H ATOM 26646 H2 TIP3 9173 48.160 39.243 46.361 1.00 0.00 WT1 H ATOM 26647 OH2 TIP3 9174 34.754 70.928 40.214 1.00 0.00 WT1 O ATOM 26648 H1 TIP3 9174 35.129 70.237 39.668 1.00 0.00 WT1 H ATOM 26649 H2 TIP3 9174 34.835 71.722 39.686 1.00 0.00 WT1 H ATOM 26650 OH2 TIP3 9175 68.571 20.297 50.339 1.00 0.00 WT1 O ATOM 26651 H1 TIP3 9175 68.149 20.402 51.193 1.00 0.00 WT1 H ATOM 26652 H2 TIP3 9175 67.992 20.753 49.728 1.00 0.00 WT1 H ATOM 26653 OH2 TIP3 9176 32.347 48.905 34.199 1.00 0.00 WT1 O ATOM 26654 H1 TIP3 9176 31.474 48.571 33.994 1.00 0.00 WT1 H ATOM 26655 H2 TIP3 9176 32.785 48.177 34.639 1.00 0.00 WT1 H ATOM 26656 OH2 TIP3 9177 33.457 87.005 -1.471 1.00 0.00 WT1 O ATOM 26657 H1 TIP3 9177 32.680 86.894 -0.923 1.00 0.00 WT1 H ATOM 26658 H2 TIP3 9177 34.153 87.238 -0.856 1.00 0.00 WT1 H ATOM 26659 OH2 TIP3 9178 70.215 48.673 -13.022 1.00 0.00 WT1 O ATOM 26660 H1 TIP3 9178 70.109 48.182 -12.207 1.00 0.00 WT1 H ATOM 26661 H2 TIP3 9178 69.537 49.348 -12.985 1.00 0.00 WT1 H ATOM 26662 OH2 TIP3 9179 31.153 38.594 -19.256 1.00 0.00 WT1 O ATOM 26663 H1 TIP3 9179 31.479 37.756 -18.925 1.00 0.00 WT1 H ATOM 26664 H2 TIP3 9179 31.854 39.217 -19.063 1.00 0.00 WT1 H ATOM 26665 OH2 TIP3 9180 36.244 79.491 6.965 1.00 0.00 WT1 O ATOM 26666 H1 TIP3 9180 36.727 80.023 7.597 1.00 0.00 WT1 H ATOM 26667 H2 TIP3 9180 35.410 79.946 6.855 1.00 0.00 WT1 H ATOM 26668 OH2 TIP3 9181 56.029 44.876 -13.778 1.00 0.00 WT1 O ATOM 26669 H1 TIP3 9181 55.511 44.165 -13.400 1.00 0.00 WT1 H ATOM 26670 H2 TIP3 9181 56.678 44.435 -14.326 1.00 0.00 WT1 H ATOM 26671 OH2 TIP3 9182 61.270 16.213 43.327 1.00 0.00 WT1 O ATOM 26672 H1 TIP3 9182 60.524 16.085 42.741 1.00 0.00 WT1 H ATOM 26673 H2 TIP3 9182 61.890 16.735 42.817 1.00 0.00 WT1 H ATOM 26674 OH2 TIP3 9183 87.945 70.155 1.569 1.00 0.00 WT1 O ATOM 26675 H1 TIP3 9183 87.901 69.579 0.805 1.00 0.00 WT1 H ATOM 26676 H2 TIP3 9183 88.719 70.698 1.416 1.00 0.00 WT1 H ATOM 26677 OH2 TIP3 9184 48.524 20.601 53.262 1.00 0.00 WT1 O ATOM 26678 H1 TIP3 9184 48.566 19.687 53.545 1.00 0.00 WT1 H ATOM 26679 H2 TIP3 9184 48.422 20.553 52.312 1.00 0.00 WT1 H ATOM 26680 OH2 TIP3 9185 31.768 60.172 -3.169 1.00 0.00 WT1 O ATOM 26681 H1 TIP3 9185 32.127 61.054 -3.272 1.00 0.00 WT1 H ATOM 26682 H2 TIP3 9185 30.838 60.266 -3.377 1.00 0.00 WT1 H ATOM 26683 OH2 TIP3 9186 79.204 73.249 14.566 1.00 0.00 WT1 O ATOM 26684 H1 TIP3 9186 79.533 73.964 15.111 1.00 0.00 WT1 H ATOM 26685 H2 TIP3 9186 78.344 73.043 14.932 1.00 0.00 WT1 H ATOM 26686 OH2 TIP3 9187 32.080 46.114 58.309 1.00 0.00 WT1 O ATOM 26687 H1 TIP3 9187 32.250 46.575 59.130 1.00 0.00 WT1 H ATOM 26688 H2 TIP3 9187 31.152 46.272 58.133 1.00 0.00 WT1 H ATOM 26689 OH2 TIP3 9188 21.258 45.997 18.400 1.00 0.00 WT1 O ATOM 26690 H1 TIP3 9188 21.810 45.647 17.702 1.00 0.00 WT1 H ATOM 26691 H2 TIP3 9188 21.870 46.222 19.101 1.00 0.00 WT1 H ATOM 26692 OH2 TIP3 9189 34.887 51.684 17.047 1.00 0.00 WT1 O ATOM 26693 H1 TIP3 9189 35.028 50.758 17.246 1.00 0.00 WT1 H ATOM 26694 H2 TIP3 9189 35.720 51.978 16.677 1.00 0.00 WT1 H ATOM 26695 OH2 TIP3 9190 79.251 37.486 59.204 1.00 0.00 WT1 O ATOM 26696 H1 TIP3 9190 79.545 38.254 58.714 1.00 0.00 WT1 H ATOM 26697 H2 TIP3 9190 79.489 36.743 58.649 1.00 0.00 WT1 H ATOM 26698 OH2 TIP3 9191 66.552 62.633 44.943 1.00 0.00 WT1 O ATOM 26699 H1 TIP3 9191 65.881 61.974 44.766 1.00 0.00 WT1 H ATOM 26700 H2 TIP3 9191 66.130 63.467 44.737 1.00 0.00 WT1 H ATOM 26701 OH2 TIP3 9192 43.684 53.634 31.823 1.00 0.00 WT1 O ATOM 26702 H1 TIP3 9192 43.571 54.297 32.504 1.00 0.00 WT1 H ATOM 26703 H2 TIP3 9192 44.409 53.960 31.289 1.00 0.00 WT1 H ATOM 26704 OH2 TIP3 9193 82.355 65.218 12.745 1.00 0.00 WT1 O ATOM 26705 H1 TIP3 9193 81.794 64.824 12.077 1.00 0.00 WT1 H ATOM 26706 H2 TIP3 9193 81.745 65.549 13.405 1.00 0.00 WT1 H ATOM 26707 OH2 TIP3 9194 90.635 89.595 14.245 1.00 0.00 WT1 O ATOM 26708 H1 TIP3 9194 91.295 89.009 14.614 1.00 0.00 WT1 H ATOM 26709 H2 TIP3 9194 89.853 89.439 14.775 1.00 0.00 WT1 H ATOM 26710 OH2 TIP3 9195 34.272 83.273 6.106 1.00 0.00 WT1 O ATOM 26711 H1 TIP3 9195 34.418 82.794 5.291 1.00 0.00 WT1 H ATOM 26712 H2 TIP3 9195 34.070 82.594 6.750 1.00 0.00 WT1 H ATOM 26713 OH2 TIP3 9196 71.299 59.010 15.160 1.00 0.00 WT1 O ATOM 26714 H1 TIP3 9196 71.391 59.606 15.904 1.00 0.00 WT1 H ATOM 26715 H2 TIP3 9196 70.381 58.740 15.181 1.00 0.00 WT1 H ATOM 26716 OH2 TIP3 9197 25.786 62.102 51.313 1.00 0.00 WT1 O ATOM 26717 H1 TIP3 9197 26.537 62.003 50.727 1.00 0.00 WT1 H ATOM 26718 H2 TIP3 9197 25.387 62.932 51.053 1.00 0.00 WT1 H ATOM 26719 OH2 TIP3 9198 26.263 80.626 20.798 1.00 0.00 WT1 O ATOM 26720 H1 TIP3 9198 26.506 81.026 21.633 1.00 0.00 WT1 H ATOM 26721 H2 TIP3 9198 25.343 80.862 20.678 1.00 0.00 WT1 H ATOM 26722 OH2 TIP3 9199 39.163 53.279 36.404 1.00 0.00 WT1 O ATOM 26723 H1 TIP3 9199 38.293 53.174 36.020 1.00 0.00 WT1 H ATOM 26724 H2 TIP3 9199 39.129 54.126 36.849 1.00 0.00 WT1 H ATOM 26725 OH2 TIP3 9200 25.872 25.859 47.445 1.00 0.00 WT1 O ATOM 26726 H1 TIP3 9200 25.742 25.331 48.233 1.00 0.00 WT1 H ATOM 26727 H2 TIP3 9200 25.258 26.588 47.541 1.00 0.00 WT1 H ATOM 26728 OH2 TIP3 9201 29.136 80.484 0.721 1.00 0.00 WT1 O ATOM 26729 H1 TIP3 9201 29.323 79.699 0.207 1.00 0.00 WT1 H ATOM 26730 H2 TIP3 9201 28.182 80.565 0.697 1.00 0.00 WT1 H ATOM 26731 OH2 TIP3 9202 61.661 86.355 18.477 1.00 0.00 WT1 O ATOM 26732 H1 TIP3 9202 62.327 85.709 18.242 1.00 0.00 WT1 H ATOM 26733 H2 TIP3 9202 61.768 86.478 19.420 1.00 0.00 WT1 H ATOM 26734 OH2 TIP3 9203 46.873 53.118 53.166 1.00 0.00 WT1 O ATOM 26735 H1 TIP3 9203 46.057 52.947 53.636 1.00 0.00 WT1 H ATOM 26736 H2 TIP3 9203 47.102 54.017 53.402 1.00 0.00 WT1 H ATOM 26737 OH2 TIP3 9204 64.787 41.068 2.596 1.00 0.00 WT1 O ATOM 26738 H1 TIP3 9204 63.985 40.642 2.898 1.00 0.00 WT1 H ATOM 26739 H2 TIP3 9204 64.488 41.719 1.961 1.00 0.00 WT1 H ATOM 26740 OH2 TIP3 9205 41.478 68.234 67.571 1.00 0.00 WT1 O ATOM 26741 H1 TIP3 9205 41.873 67.372 67.705 1.00 0.00 WT1 H ATOM 26742 H2 TIP3 9205 41.960 68.607 66.833 1.00 0.00 WT1 H ATOM 26743 OH2 TIP3 9206 35.028 59.722 1.516 1.00 0.00 WT1 O ATOM 26744 H1 TIP3 9206 34.792 59.683 2.442 1.00 0.00 WT1 H ATOM 26745 H2 TIP3 9206 35.883 59.293 1.467 1.00 0.00 WT1 H ATOM 26746 OH2 TIP3 9207 79.535 5.791 45.014 1.00 0.00 WT1 O ATOM 26747 H1 TIP3 9207 79.709 6.470 44.363 1.00 0.00 WT1 H ATOM 26748 H2 TIP3 9207 78.605 5.589 44.909 1.00 0.00 WT1 H ATOM 26749 OH2 TIP3 9208 60.104 48.838 15.107 1.00 0.00 WT1 O ATOM 26750 H1 TIP3 9208 60.857 48.851 15.697 1.00 0.00 WT1 H ATOM 26751 H2 TIP3 9208 59.361 48.625 15.671 1.00 0.00 WT1 H ATOM 26752 OH2 TIP3 9209 46.406 28.461 -16.193 1.00 0.00 WT1 O ATOM 26753 H1 TIP3 9209 46.431 27.584 -15.809 1.00 0.00 WT1 H ATOM 26754 H2 TIP3 9209 45.738 28.925 -15.688 1.00 0.00 WT1 H ATOM 26755 OH2 TIP3 9210 22.301 0.708 62.697 1.00 0.00 WT1 O ATOM 26756 H1 TIP3 9210 22.938 0.547 62.001 1.00 0.00 WT1 H ATOM 26757 H2 TIP3 9210 22.180 -0.145 63.113 1.00 0.00 WT1 H ATOM 26758 OH2 TIP3 9211 24.757 78.202 -13.709 1.00 0.00 WT1 O ATOM 26759 H1 TIP3 9211 25.660 78.173 -14.026 1.00 0.00 WT1 H ATOM 26760 H2 TIP3 9211 24.261 78.585 -14.432 1.00 0.00 WT1 H ATOM 26761 OH2 TIP3 9212 41.304 19.641 29.338 1.00 0.00 WT1 O ATOM 26762 H1 TIP3 9212 41.305 20.508 28.931 1.00 0.00 WT1 H ATOM 26763 H2 TIP3 9212 40.431 19.292 29.156 1.00 0.00 WT1 H ATOM 26764 OH2 TIP3 9213 48.007 29.029 28.823 1.00 0.00 WT1 O ATOM 26765 H1 TIP3 9213 48.149 29.744 28.202 1.00 0.00 WT1 H ATOM 26766 H2 TIP3 9213 47.185 28.627 28.541 1.00 0.00 WT1 H ATOM 26767 OH2 TIP3 9214 25.175 57.085 54.978 1.00 0.00 WT1 O ATOM 26768 H1 TIP3 9214 26.043 57.321 54.651 1.00 0.00 WT1 H ATOM 26769 H2 TIP3 9214 25.101 57.541 55.816 1.00 0.00 WT1 H ATOM 26770 OH2 TIP3 9215 83.324 55.766 -10.290 1.00 0.00 WT1 O ATOM 26771 H1 TIP3 9215 83.255 55.552 -9.359 1.00 0.00 WT1 H ATOM 26772 H2 TIP3 9215 84.123 55.324 -10.578 1.00 0.00 WT1 H ATOM 26773 OH2 TIP3 9216 58.001 58.521 24.143 1.00 0.00 WT1 O ATOM 26774 H1 TIP3 9216 57.449 58.731 23.390 1.00 0.00 WT1 H ATOM 26775 H2 TIP3 9216 57.415 58.073 24.753 1.00 0.00 WT1 H ATOM 26776 OH2 TIP3 9217 29.537 57.464 55.034 1.00 0.00 WT1 O ATOM 26777 H1 TIP3 9217 28.903 57.265 55.724 1.00 0.00 WT1 H ATOM 26778 H2 TIP3 9217 29.996 58.243 55.348 1.00 0.00 WT1 H ATOM 26779 OH2 TIP3 9218 84.605 56.465 2.116 1.00 0.00 WT1 O ATOM 26780 H1 TIP3 9218 84.033 56.152 2.817 1.00 0.00 WT1 H ATOM 26781 H2 TIP3 9218 84.017 56.611 1.374 1.00 0.00 WT1 H ATOM 26782 OH2 TIP3 9219 29.733 73.091 4.906 1.00 0.00 WT1 O ATOM 26783 H1 TIP3 9219 29.248 73.747 5.407 1.00 0.00 WT1 H ATOM 26784 H2 TIP3 9219 30.649 73.239 5.140 1.00 0.00 WT1 H ATOM 26785 OH2 TIP3 9220 88.320 88.024 -5.343 1.00 0.00 WT1 O ATOM 26786 H1 TIP3 9220 88.418 87.309 -4.715 1.00 0.00 WT1 H ATOM 26787 H2 TIP3 9220 88.561 87.639 -6.185 1.00 0.00 WT1 H ATOM 26788 OH2 TIP3 9222 79.120 73.129 -5.652 1.00 0.00 WT1 O ATOM 26789 H1 TIP3 9222 79.742 73.849 -5.543 1.00 0.00 WT1 H ATOM 26790 H2 TIP3 9222 78.865 73.170 -6.574 1.00 0.00 WT1 H ATOM 26791 OH2 TIP3 9223 51.255 21.869 66.591 1.00 0.00 WT1 O ATOM 26792 H1 TIP3 9223 51.060 22.050 67.511 1.00 0.00 WT1 H ATOM 26793 H2 TIP3 9223 51.423 22.730 66.208 1.00 0.00 WT1 H ATOM 26794 OH2 TIP3 9224 84.243 22.024 49.539 1.00 0.00 WT1 O ATOM 26795 H1 TIP3 9224 83.424 21.568 49.340 1.00 0.00 WT1 H ATOM 26796 H2 TIP3 9224 84.142 22.885 49.133 1.00 0.00 WT1 H ATOM 26797 OH2 TIP3 9225 59.283 84.445 42.159 1.00 0.00 WT1 O ATOM 26798 H1 TIP3 9225 59.104 83.968 42.969 1.00 0.00 WT1 H ATOM 26799 H2 TIP3 9225 59.945 83.919 41.711 1.00 0.00 WT1 H ATOM 26800 OH2 TIP3 9226 77.243 82.167 -17.502 1.00 0.00 WT1 O ATOM 26801 H1 TIP3 9226 76.795 81.411 -17.123 1.00 0.00 WT1 H ATOM 26802 H2 TIP3 9226 78.100 82.177 -17.074 1.00 0.00 WT1 H ATOM 26803 OH2 TIP3 9227 20.509 70.360 58.797 1.00 0.00 WT1 O ATOM 26804 H1 TIP3 9227 21.424 70.419 59.071 1.00 0.00 WT1 H ATOM 26805 H2 TIP3 9227 20.545 69.977 57.920 1.00 0.00 WT1 H ATOM 26806 OH2 TIP3 9228 44.120 59.574 -3.327 1.00 0.00 WT1 O ATOM 26807 H1 TIP3 9228 43.334 59.241 -3.760 1.00 0.00 WT1 H ATOM 26808 H2 TIP3 9228 44.208 59.033 -2.542 1.00 0.00 WT1 H ATOM 26809 OH2 TIP3 9229 53.257 67.910 20.644 1.00 0.00 WT1 O ATOM 26810 H1 TIP3 9229 53.459 68.006 19.713 1.00 0.00 WT1 H ATOM 26811 H2 TIP3 9229 52.396 67.491 20.661 1.00 0.00 WT1 H ATOM 26812 OH2 TIP3 9230 88.576 37.852 15.830 1.00 0.00 WT1 O ATOM 26813 H1 TIP3 9230 88.133 37.600 15.020 1.00 0.00 WT1 H ATOM 26814 H2 TIP3 9230 88.463 37.099 16.410 1.00 0.00 WT1 H ATOM 26815 OH2 TIP3 9231 37.460 21.909 57.297 1.00 0.00 WT1 O ATOM 26816 H1 TIP3 9231 38.147 21.243 57.307 1.00 0.00 WT1 H ATOM 26817 H2 TIP3 9231 36.706 21.471 56.901 1.00 0.00 WT1 H ATOM 26818 OH2 TIP3 9232 44.916 38.174 15.277 1.00 0.00 WT1 O ATOM 26819 H1 TIP3 9232 45.383 38.507 16.043 1.00 0.00 WT1 H ATOM 26820 H2 TIP3 9232 44.284 37.550 15.633 1.00 0.00 WT1 H ATOM 26821 OH2 TIP3 9233 74.257 47.954 31.363 1.00 0.00 WT1 O ATOM 26822 H1 TIP3 9233 74.308 48.851 31.033 1.00 0.00 WT1 H ATOM 26823 H2 TIP3 9233 74.526 48.020 32.280 1.00 0.00 WT1 H ATOM 26824 OH2 TIP3 9234 44.641 2.844 51.473 1.00 0.00 WT1 O ATOM 26825 H1 TIP3 9234 45.320 2.491 50.897 1.00 0.00 WT1 H ATOM 26826 H2 TIP3 9234 45.077 2.954 52.317 1.00 0.00 WT1 H ATOM 26827 OH2 TIP3 9235 74.283 84.553 29.706 1.00 0.00 WT1 O ATOM 26828 H1 TIP3 9235 73.965 83.894 30.322 1.00 0.00 WT1 H ATOM 26829 H2 TIP3 9235 74.178 84.147 28.845 1.00 0.00 WT1 H ATOM 26830 OH2 TIP3 9236 33.693 59.863 -5.422 1.00 0.00 WT1 O ATOM 26831 H1 TIP3 9236 33.666 60.805 -5.257 1.00 0.00 WT1 H ATOM 26832 H2 TIP3 9236 33.130 59.485 -4.746 1.00 0.00 WT1 H ATOM 26833 OH2 TIP3 9237 36.148 39.578 33.461 1.00 0.00 WT1 O ATOM 26834 H1 TIP3 9237 36.165 40.004 34.318 1.00 0.00 WT1 H ATOM 26835 H2 TIP3 9237 35.872 40.266 32.857 1.00 0.00 WT1 H ATOM 26836 OH2 TIP3 9238 85.335 53.935 39.036 1.00 0.00 WT1 O ATOM 26837 H1 TIP3 9238 86.234 53.911 39.363 1.00 0.00 WT1 H ATOM 26838 H2 TIP3 9238 84.811 54.191 39.795 1.00 0.00 WT1 H ATOM 26839 OH2 TIP3 9239 27.185 5.422 36.977 1.00 0.00 WT1 O ATOM 26840 H1 TIP3 9239 27.941 4.835 36.965 1.00 0.00 WT1 H ATOM 26841 H2 TIP3 9239 27.557 6.289 37.140 1.00 0.00 WT1 H ATOM 26842 OH2 TIP3 9240 66.189 49.269 54.657 1.00 0.00 WT1 O ATOM 26843 H1 TIP3 9240 65.672 48.501 54.903 1.00 0.00 WT1 H ATOM 26844 H2 TIP3 9240 65.775 49.996 55.122 1.00 0.00 WT1 H ATOM 26845 OH2 TIP3 9241 83.507 13.662 63.077 1.00 0.00 WT1 O ATOM 26846 H1 TIP3 9241 82.818 13.257 63.603 1.00 0.00 WT1 H ATOM 26847 H2 TIP3 9241 84.240 13.049 63.128 1.00 0.00 WT1 H ATOM 26848 OH2 TIP3 9243 56.092 24.231 16.353 1.00 0.00 WT1 O ATOM 26849 H1 TIP3 9243 55.679 24.324 17.212 1.00 0.00 WT1 H ATOM 26850 H2 TIP3 9243 56.785 24.892 16.348 1.00 0.00 WT1 H ATOM 26851 OH2 TIP3 9244 74.298 87.416 22.662 1.00 0.00 WT1 O ATOM 26852 H1 TIP3 9244 75.110 87.056 23.021 1.00 0.00 WT1 H ATOM 26853 H2 TIP3 9244 73.789 86.648 22.403 1.00 0.00 WT1 H ATOM 26854 OH2 TIP3 9245 56.544 82.253 58.058 1.00 0.00 WT1 O ATOM 26855 H1 TIP3 9245 56.952 82.067 57.212 1.00 0.00 WT1 H ATOM 26856 H2 TIP3 9245 56.145 83.116 57.947 1.00 0.00 WT1 H ATOM 26857 OH2 TIP3 9246 21.759 44.428 -14.499 1.00 0.00 WT1 O ATOM 26858 H1 TIP3 9246 22.182 44.159 -13.683 1.00 0.00 WT1 H ATOM 26859 H2 TIP3 9246 21.960 43.724 -15.116 1.00 0.00 WT1 H ATOM 26860 OH2 TIP3 9247 57.002 46.025 3.428 1.00 0.00 WT1 O ATOM 26861 H1 TIP3 9247 56.108 45.778 3.664 1.00 0.00 WT1 H ATOM 26862 H2 TIP3 9247 56.910 46.875 2.997 1.00 0.00 WT1 H ATOM 26863 OH2 TIP3 9248 49.980 70.754 -1.538 1.00 0.00 WT1 O ATOM 26864 H1 TIP3 9248 50.580 71.094 -2.202 1.00 0.00 WT1 H ATOM 26865 H2 TIP3 9248 50.535 70.233 -0.957 1.00 0.00 WT1 H ATOM 26866 OH2 TIP3 9249 75.638 75.495 48.924 1.00 0.00 WT1 O ATOM 26867 H1 TIP3 9249 75.729 76.175 48.256 1.00 0.00 WT1 H ATOM 26868 H2 TIP3 9249 76.131 74.751 48.577 1.00 0.00 WT1 H ATOM 26869 OH2 TIP3 9250 21.515 61.401 5.833 1.00 0.00 WT1 O ATOM 26870 H1 TIP3 9250 21.385 60.538 5.440 1.00 0.00 WT1 H ATOM 26871 H2 TIP3 9250 22.440 61.417 6.077 1.00 0.00 WT1 H ATOM 26872 OH2 TIP3 9251 23.649 58.437 65.000 1.00 0.00 WT1 O ATOM 26873 H1 TIP3 9251 23.744 58.683 64.080 1.00 0.00 WT1 H ATOM 26874 H2 TIP3 9251 22.706 58.331 65.124 1.00 0.00 WT1 H ATOM 26875 OH2 TIP3 9252 25.307 29.817 31.620 1.00 0.00 WT1 O ATOM 26876 H1 TIP3 9252 25.068 30.537 31.036 1.00 0.00 WT1 H ATOM 26877 H2 TIP3 9252 25.849 30.225 32.295 1.00 0.00 WT1 H ATOM 26878 OH2 TIP3 9253 78.648 75.004 19.152 1.00 0.00 WT1 O ATOM 26879 H1 TIP3 9253 77.881 75.269 18.644 1.00 0.00 WT1 H ATOM 26880 H2 TIP3 9253 78.483 74.087 19.375 1.00 0.00 WT1 H ATOM 26881 OH2 TIP3 9254 45.219 29.847 31.239 1.00 0.00 WT1 O ATOM 26882 H1 TIP3 9254 45.421 30.627 30.723 1.00 0.00 WT1 H ATOM 26883 H2 TIP3 9254 45.068 29.161 30.589 1.00 0.00 WT1 H ATOM 26884 OH2 TIP3 9255 50.705 21.000 -12.608 1.00 0.00 WT1 O ATOM 26885 H1 TIP3 9255 51.288 20.887 -13.358 1.00 0.00 WT1 H ATOM 26886 H2 TIP3 9255 50.020 20.343 -12.736 1.00 0.00 WT1 H ATOM 26887 OH2 TIP3 9256 79.521 61.102 12.222 1.00 0.00 WT1 O ATOM 26888 H1 TIP3 9256 78.725 61.118 12.753 1.00 0.00 WT1 H ATOM 26889 H2 TIP3 9256 79.272 60.622 11.432 1.00 0.00 WT1 H ATOM 26890 OH2 TIP3 9257 49.754 95.009 6.291 1.00 0.00 WT1 O ATOM 26891 H1 TIP3 9257 49.794 94.166 5.840 1.00 0.00 WT1 H ATOM 26892 H2 TIP3 9257 49.000 95.453 5.904 1.00 0.00 WT1 H ATOM 26893 OH2 TIP3 9258 49.956 16.773 55.746 1.00 0.00 WT1 O ATOM 26894 H1 TIP3 9258 50.436 15.948 55.806 1.00 0.00 WT1 H ATOM 26895 H2 TIP3 9258 50.231 17.268 56.518 1.00 0.00 WT1 H ATOM 26896 OH2 TIP3 9259 75.284 39.774 1.785 1.00 0.00 WT1 O ATOM 26897 H1 TIP3 9259 75.083 40.387 2.493 1.00 0.00 WT1 H ATOM 26898 H2 TIP3 9259 75.471 38.947 2.230 1.00 0.00 WT1 H ATOM 26899 OH2 TIP3 9260 50.474 15.111 25.579 1.00 0.00 WT1 O ATOM 26900 H1 TIP3 9260 50.048 15.710 26.193 1.00 0.00 WT1 H ATOM 26901 H2 TIP3 9260 50.286 15.479 24.716 1.00 0.00 WT1 H ATOM 26902 OH2 TIP3 9261 67.029 76.265 -14.699 1.00 0.00 WT1 O ATOM 26903 H1 TIP3 9261 67.392 75.898 -15.505 1.00 0.00 WT1 H ATOM 26904 H2 TIP3 9261 66.245 76.735 -14.980 1.00 0.00 WT1 H ATOM 26905 OH2 TIP3 2 58.092 68.975 -11.527 1.00 0.00 WT2 O ATOM 26906 H1 TIP3 2 57.140 68.982 -11.433 1.00 0.00 WT2 H ATOM 26907 H2 TIP3 2 58.411 69.485 -10.782 1.00 0.00 WT2 H ATOM 26908 OH2 TIP3 3 65.886 83.428 55.128 1.00 0.00 WT2 O ATOM 26909 H1 TIP3 3 66.839 83.466 55.208 1.00 0.00 WT2 H ATOM 26910 H2 TIP3 3 65.699 82.511 54.926 1.00 0.00 WT2 H ATOM 26911 OH2 TIP3 4 55.785 6.985 59.830 1.00 0.00 WT2 O ATOM 26912 H1 TIP3 4 56.564 6.880 59.284 1.00 0.00 WT2 H ATOM 26913 H2 TIP3 4 55.117 7.324 59.233 1.00 0.00 WT2 H ATOM 26914 OH2 TIP3 5 73.261 65.115 65.836 1.00 0.00 WT2 O ATOM 26915 H1 TIP3 5 72.917 64.245 65.632 1.00 0.00 WT2 H ATOM 26916 H2 TIP3 5 74.125 64.948 66.213 1.00 0.00 WT2 H ATOM 26917 OH2 TIP3 7 29.869 82.944 -1.993 1.00 0.00 WT2 O ATOM 26918 H1 TIP3 7 28.987 83.006 -1.627 1.00 0.00 WT2 H ATOM 26919 H2 TIP3 7 29.926 82.050 -2.332 1.00 0.00 WT2 H ATOM 26920 OH2 TIP3 9 88.812 25.018 13.294 1.00 0.00 WT2 O ATOM 26921 H1 TIP3 9 88.215 25.288 12.596 1.00 0.00 WT2 H ATOM 26922 H2 TIP3 9 88.871 24.067 13.205 1.00 0.00 WT2 H ATOM 26923 OH2 TIP3 11 80.896 42.267 39.561 1.00 0.00 WT2 O ATOM 26924 H1 TIP3 11 80.269 41.619 39.238 1.00 0.00 WT2 H ATOM 26925 H2 TIP3 11 81.746 41.950 39.258 1.00 0.00 WT2 H ATOM 26926 OH2 TIP3 21 21.451 44.645 62.298 1.00 0.00 WT2 O ATOM 26927 H1 TIP3 21 20.727 44.417 61.714 1.00 0.00 WT2 H ATOM 26928 H2 TIP3 21 21.720 45.519 62.016 1.00 0.00 WT2 H ATOM 26929 OH2 TIP3 22 37.139 41.576 -8.920 1.00 0.00 WT2 O ATOM 26930 H1 TIP3 22 36.258 41.568 -9.294 1.00 0.00 WT2 H ATOM 26931 H2 TIP3 22 37.240 42.457 -8.562 1.00 0.00 WT2 H ATOM 26932 OH2 TIP3 23 40.209 44.196 58.067 1.00 0.00 WT2 O ATOM 26933 H1 TIP3 23 39.319 44.277 58.409 1.00 0.00 WT2 H ATOM 26934 H2 TIP3 23 40.486 43.317 58.325 1.00 0.00 WT2 H ATOM 26935 OH2 TIP3 24 74.940 4.037 42.755 1.00 0.00 WT2 O ATOM 26936 H1 TIP3 24 74.967 4.298 43.675 1.00 0.00 WT2 H ATOM 26937 H2 TIP3 24 75.230 3.125 42.755 1.00 0.00 WT2 H ATOM 26938 OH2 TIP3 25 21.309 83.965 50.633 1.00 0.00 WT2 O ATOM 26939 H1 TIP3 25 21.827 84.745 50.437 1.00 0.00 WT2 H ATOM 26940 H2 TIP3 25 20.461 84.305 50.918 1.00 0.00 WT2 H ATOM 26941 OH2 TIP3 27 82.765 19.418 34.565 1.00 0.00 WT2 O ATOM 26942 H1 TIP3 27 82.938 20.145 33.967 1.00 0.00 WT2 H ATOM 26943 H2 TIP3 27 83.105 18.647 34.110 1.00 0.00 WT2 H ATOM 26944 OH2 TIP3 28 35.608 42.330 -5.670 1.00 0.00 WT2 O ATOM 26945 H1 TIP3 28 36.283 42.838 -6.119 1.00 0.00 WT2 H ATOM 26946 H2 TIP3 28 34.786 42.625 -6.061 1.00 0.00 WT2 H ATOM 26947 OH2 TIP3 29 43.979 59.757 -6.217 1.00 0.00 WT2 O ATOM 26948 H1 TIP3 29 43.501 59.999 -5.423 1.00 0.00 WT2 H ATOM 26949 H2 TIP3 29 44.890 59.980 -6.026 1.00 0.00 WT2 H ATOM 26950 OH2 TIP3 31 32.421 53.576 50.942 1.00 0.00 WT2 O ATOM 26951 H1 TIP3 31 31.767 53.807 51.601 1.00 0.00 WT2 H ATOM 26952 H2 TIP3 31 32.689 54.414 50.566 1.00 0.00 WT2 H ATOM 26953 OH2 TIP3 36 26.667 67.590 24.973 1.00 0.00 WT2 O ATOM 26954 H1 TIP3 36 27.463 67.082 24.816 1.00 0.00 WT2 H ATOM 26955 H2 TIP3 36 26.522 67.523 25.916 1.00 0.00 WT2 H ATOM 26956 OH2 TIP3 40 38.398 26.502 55.547 1.00 0.00 WT2 O ATOM 26957 H1 TIP3 40 38.586 25.706 56.044 1.00 0.00 WT2 H ATOM 26958 H2 TIP3 40 38.365 26.215 54.635 1.00 0.00 WT2 H ATOM 26959 OH2 TIP3 43 23.439 89.175 19.968 1.00 0.00 WT2 O ATOM 26960 H1 TIP3 43 24.120 88.663 20.405 1.00 0.00 WT2 H ATOM 26961 H2 TIP3 43 23.766 89.295 19.076 1.00 0.00 WT2 H ATOM 26962 OH2 TIP3 44 73.959 39.444 54.285 1.00 0.00 WT2 O ATOM 26963 H1 TIP3 44 73.887 38.600 53.840 1.00 0.00 WT2 H ATOM 26964 H2 TIP3 44 73.947 39.226 55.217 1.00 0.00 WT2 H ATOM 26965 OH2 TIP3 46 89.092 72.580 41.121 1.00 0.00 WT2 O ATOM 26966 H1 TIP3 46 89.050 72.424 40.178 1.00 0.00 WT2 H ATOM 26967 H2 TIP3 46 89.442 71.766 41.484 1.00 0.00 WT2 H ATOM 26968 OH2 TIP3 47 23.368 81.926 26.024 1.00 0.00 WT2 O ATOM 26969 H1 TIP3 47 22.845 81.208 25.668 1.00 0.00 WT2 H ATOM 26970 H2 TIP3 47 23.807 82.303 25.262 1.00 0.00 WT2 H ATOM 26971 OH2 TIP3 50 50.753 87.956 47.581 1.00 0.00 WT2 O ATOM 26972 H1 TIP3 50 51.655 87.708 47.782 1.00 0.00 WT2 H ATOM 26973 H2 TIP3 50 50.218 87.295 48.020 1.00 0.00 WT2 H ATOM 26974 OH2 TIP3 64 58.730 52.979 2.564 1.00 0.00 WT2 O ATOM 26975 H1 TIP3 64 58.989 53.900 2.544 1.00 0.00 WT2 H ATOM 26976 H2 TIP3 64 59.077 52.651 3.394 1.00 0.00 WT2 H ATOM 26977 OH2 TIP3 65 88.273 32.232 -4.617 1.00 0.00 WT2 O ATOM 26978 H1 TIP3 65 87.641 32.914 -4.388 1.00 0.00 WT2 H ATOM 26979 H2 TIP3 65 88.879 32.209 -3.876 1.00 0.00 WT2 H ATOM 26980 OH2 TIP3 66 36.111 31.079 66.406 1.00 0.00 WT2 O ATOM 26981 H1 TIP3 66 35.354 31.237 65.842 1.00 0.00 WT2 H ATOM 26982 H2 TIP3 66 36.676 31.840 66.269 1.00 0.00 WT2 H ATOM 26983 OH2 TIP3 67 48.445 22.887 -6.890 1.00 0.00 WT2 O ATOM 26984 H1 TIP3 67 48.807 23.752 -7.079 1.00 0.00 WT2 H ATOM 26985 H2 TIP3 67 48.780 22.328 -7.591 1.00 0.00 WT2 H ATOM 26986 OH2 TIP3 68 34.067 60.413 -11.526 1.00 0.00 WT2 O ATOM 26987 H1 TIP3 68 34.496 59.567 -11.658 1.00 0.00 WT2 H ATOM 26988 H2 TIP3 68 33.796 60.405 -10.608 1.00 0.00 WT2 H ATOM 26989 OH2 TIP3 69 33.968 45.586 11.911 1.00 0.00 WT2 O ATOM 26990 H1 TIP3 69 34.270 44.883 12.486 1.00 0.00 WT2 H ATOM 26991 H2 TIP3 69 34.314 46.386 12.307 1.00 0.00 WT2 H ATOM 26992 OH2 TIP3 70 37.082 69.478 -13.284 1.00 0.00 WT2 O ATOM 26993 H1 TIP3 70 37.729 68.773 -13.316 1.00 0.00 WT2 H ATOM 26994 H2 TIP3 70 36.946 69.638 -12.350 1.00 0.00 WT2 H ATOM 26995 OH2 TIP3 72 73.462 89.830 -18.314 1.00 0.00 WT2 O ATOM 26996 H1 TIP3 72 73.042 90.620 -18.655 1.00 0.00 WT2 H ATOM 26997 H2 TIP3 72 73.919 89.457 -19.068 1.00 0.00 WT2 H ATOM 26998 OH2 TIP3 73 46.069 60.138 50.439 1.00 0.00 WT2 O ATOM 26999 H1 TIP3 73 46.337 60.194 49.522 1.00 0.00 WT2 H ATOM 27000 H2 TIP3 73 45.837 59.218 50.565 1.00 0.00 WT2 H ATOM 27001 OH2 TIP3 83 71.006 86.039 39.374 1.00 0.00 WT2 O ATOM 27002 H1 TIP3 83 70.664 85.663 40.185 1.00 0.00 WT2 H ATOM 27003 H2 TIP3 83 71.926 86.222 39.564 1.00 0.00 WT2 H ATOM 27004 OH2 TIP3 85 33.055 41.138 36.334 1.00 0.00 WT2 O ATOM 27005 H1 TIP3 85 32.386 40.638 36.802 1.00 0.00 WT2 H ATOM 27006 H2 TIP3 85 33.070 40.757 35.456 1.00 0.00 WT2 H ATOM 27007 OH2 TIP3 86 40.637 52.129 -8.932 1.00 0.00 WT2 O ATOM 27008 H1 TIP3 86 39.751 52.442 -9.113 1.00 0.00 WT2 H ATOM 27009 H2 TIP3 86 40.578 51.728 -8.065 1.00 0.00 WT2 H ATOM 27010 OH2 TIP3 87 60.017 3.987 44.332 1.00 0.00 WT2 O ATOM 27011 H1 TIP3 87 60.775 3.421 44.476 1.00 0.00 WT2 H ATOM 27012 H2 TIP3 87 59.651 4.125 45.205 1.00 0.00 WT2 H ATOM 27013 OH2 TIP3 88 65.216 51.881 -12.644 1.00 0.00 WT2 O ATOM 27014 H1 TIP3 88 65.778 52.375 -13.240 1.00 0.00 WT2 H ATOM 27015 H2 TIP3 88 65.717 51.828 -11.830 1.00 0.00 WT2 H ATOM 27016 OH2 TIP3 90 61.253 95.928 43.265 1.00 0.00 WT2 O ATOM 27017 H1 TIP3 90 61.610 95.076 43.515 1.00 0.00 WT2 H ATOM 27018 H2 TIP3 90 61.806 96.217 42.539 1.00 0.00 WT2 H ATOM 27019 OH2 TIP3 91 58.337 37.501 48.232 1.00 0.00 WT2 O ATOM 27020 H1 TIP3 91 57.638 37.013 48.667 1.00 0.00 WT2 H ATOM 27021 H2 TIP3 91 58.594 36.946 47.495 1.00 0.00 WT2 H ATOM 27022 OH2 TIP3 93 69.977 19.116 55.450 1.00 0.00 WT2 O ATOM 27023 H1 TIP3 93 70.434 18.354 55.806 1.00 0.00 WT2 H ATOM 27024 H2 TIP3 93 69.066 18.997 55.720 1.00 0.00 WT2 H ATOM 27025 OH2 TIP3 107 27.941 37.107 8.537 1.00 0.00 WT2 O ATOM 27026 H1 TIP3 107 27.672 37.324 9.430 1.00 0.00 WT2 H ATOM 27027 H2 TIP3 107 28.573 37.788 8.306 1.00 0.00 WT2 H ATOM 27028 OH2 TIP3 108 29.900 67.522 23.369 1.00 0.00 WT2 O ATOM 27029 H1 TIP3 108 29.787 66.649 22.995 1.00 0.00 WT2 H ATOM 27030 H2 TIP3 108 30.522 67.398 24.086 1.00 0.00 WT2 H ATOM 27031 OH2 TIP3 109 58.273 5.915 61.367 1.00 0.00 WT2 O ATOM 27032 H1 TIP3 109 57.715 5.161 61.556 1.00 0.00 WT2 H ATOM 27033 H2 TIP3 109 58.964 5.568 60.803 1.00 0.00 WT2 H ATOM 27034 OH2 TIP3 110 28.011 36.448 -5.033 1.00 0.00 WT2 O ATOM 27035 H1 TIP3 110 28.111 37.127 -4.366 1.00 0.00 WT2 H ATOM 27036 H2 TIP3 110 28.235 36.884 -5.855 1.00 0.00 WT2 H ATOM 27037 OH2 TIP3 111 83.931 84.625 -3.770 1.00 0.00 WT2 O ATOM 27038 H1 TIP3 111 84.481 83.864 -3.585 1.00 0.00 WT2 H ATOM 27039 H2 TIP3 111 84.481 85.377 -3.551 1.00 0.00 WT2 H ATOM 27040 OH2 TIP3 112 32.352 0.972 10.075 1.00 0.00 WT2 O ATOM 27041 H1 TIP3 112 32.368 1.929 10.072 1.00 0.00 WT2 H ATOM 27042 H2 TIP3 112 32.948 0.721 9.369 1.00 0.00 WT2 H ATOM 27043 OH2 TIP3 113 46.582 7.306 27.723 1.00 0.00 WT2 O ATOM 27044 H1 TIP3 113 46.080 6.649 27.240 1.00 0.00 WT2 H ATOM 27045 H2 TIP3 113 45.919 7.870 28.121 1.00 0.00 WT2 H ATOM 27046 OH2 TIP3 114 24.072 81.989 -13.944 1.00 0.00 WT2 O ATOM 27047 H1 TIP3 114 24.730 81.494 -14.434 1.00 0.00 WT2 H ATOM 27048 H2 TIP3 114 24.571 82.447 -13.268 1.00 0.00 WT2 H ATOM 27049 OH2 TIP3 125 63.941 25.046 6.592 1.00 0.00 WT2 O ATOM 27050 H1 TIP3 125 63.304 25.107 5.880 1.00 0.00 WT2 H ATOM 27051 H2 TIP3 125 64.779 25.263 6.184 1.00 0.00 WT2 H ATOM 27052 OH2 TIP3 129 59.178 25.294 0.474 1.00 0.00 WT2 O ATOM 27053 H1 TIP3 129 58.911 24.741 1.208 1.00 0.00 WT2 H ATOM 27054 H2 TIP3 129 58.363 25.683 0.157 1.00 0.00 WT2 H ATOM 27055 OH2 TIP3 130 81.434 17.853 36.540 1.00 0.00 WT2 O ATOM 27056 H1 TIP3 130 81.114 18.192 37.377 1.00 0.00 WT2 H ATOM 27057 H2 TIP3 130 81.925 18.581 36.159 1.00 0.00 WT2 H ATOM 27058 OH2 TIP3 132 74.910 53.542 66.612 1.00 0.00 WT2 O ATOM 27059 H1 TIP3 132 75.383 52.878 67.114 1.00 0.00 WT2 H ATOM 27060 H2 TIP3 132 74.011 53.494 66.938 1.00 0.00 WT2 H ATOM 27061 OH2 TIP3 133 76.586 4.315 -7.104 1.00 0.00 WT2 O ATOM 27062 H1 TIP3 133 76.893 5.219 -7.173 1.00 0.00 WT2 H ATOM 27063 H2 TIP3 133 76.182 4.264 -6.238 1.00 0.00 WT2 H ATOM 27064 OH2 TIP3 144 41.245 27.365 37.231 1.00 0.00 WT2 O ATOM 27065 H1 TIP3 144 41.797 27.110 36.492 1.00 0.00 WT2 H ATOM 27066 H2 TIP3 144 41.769 27.155 38.005 1.00 0.00 WT2 H ATOM 27067 OH2 TIP3 145 74.682 17.826 -11.922 1.00 0.00 WT2 O ATOM 27068 H1 TIP3 145 74.173 17.022 -11.820 1.00 0.00 WT2 H ATOM 27069 H2 TIP3 145 74.621 18.259 -11.070 1.00 0.00 WT2 H ATOM 27070 OH2 TIP3 146 39.598 50.403 -12.799 1.00 0.00 WT2 O ATOM 27071 H1 TIP3 146 40.153 50.695 -13.521 1.00 0.00 WT2 H ATOM 27072 H2 TIP3 146 40.132 49.764 -12.327 1.00 0.00 WT2 H ATOM 27073 OH2 TIP3 149 46.896 62.037 -12.033 1.00 0.00 WT2 O ATOM 27074 H1 TIP3 149 46.922 61.119 -11.763 1.00 0.00 WT2 H ATOM 27075 H2 TIP3 149 46.036 62.347 -11.747 1.00 0.00 WT2 H ATOM 27076 OH2 TIP3 150 20.394 22.030 51.491 1.00 0.00 WT2 O ATOM 27077 H1 TIP3 150 19.925 22.014 52.325 1.00 0.00 WT2 H ATOM 27078 H2 TIP3 150 20.565 21.109 51.294 1.00 0.00 WT2 H ATOM 27079 OH2 TIP3 151 39.297 44.994 8.051 1.00 0.00 WT2 O ATOM 27080 H1 TIP3 151 39.865 45.749 7.900 1.00 0.00 WT2 H ATOM 27081 H2 TIP3 151 39.481 44.732 8.954 1.00 0.00 WT2 H ATOM 27082 OH2 TIP3 152 59.011 40.872 38.756 1.00 0.00 WT2 O ATOM 27083 H1 TIP3 152 58.363 41.447 39.163 1.00 0.00 WT2 H ATOM 27084 H2 TIP3 152 59.535 41.452 38.205 1.00 0.00 WT2 H ATOM 27085 OH2 TIP3 154 80.959 12.763 -12.309 1.00 0.00 WT2 O ATOM 27086 H1 TIP3 154 80.881 12.006 -12.890 1.00 0.00 WT2 H ATOM 27087 H2 TIP3 154 80.533 12.487 -11.498 1.00 0.00 WT2 H ATOM 27088 OH2 TIP3 167 21.686 90.612 24.801 1.00 0.00 WT2 O ATOM 27089 H1 TIP3 167 20.861 90.598 25.287 1.00 0.00 WT2 H ATOM 27090 H2 TIP3 167 22.036 91.491 24.949 1.00 0.00 WT2 H ATOM 27091 OH2 TIP3 170 67.198 13.300 38.646 1.00 0.00 WT2 O ATOM 27092 H1 TIP3 170 66.281 13.085 38.471 1.00 0.00 WT2 H ATOM 27093 H2 TIP3 170 67.502 12.601 39.224 1.00 0.00 WT2 H ATOM 27094 OH2 TIP3 171 71.989 46.472 63.098 1.00 0.00 WT2 O ATOM 27095 H1 TIP3 171 71.290 47.098 63.289 1.00 0.00 WT2 H ATOM 27096 H2 TIP3 171 72.626 46.601 63.801 1.00 0.00 WT2 H ATOM 27097 OH2 TIP3 173 89.114 49.709 46.903 1.00 0.00 WT2 O ATOM 27098 H1 TIP3 173 89.130 48.755 46.823 1.00 0.00 WT2 H ATOM 27099 H2 TIP3 173 90.035 49.968 46.867 1.00 0.00 WT2 H ATOM 27100 OH2 TIP3 174 31.364 58.063 -20.165 1.00 0.00 WT2 O ATOM 27101 H1 TIP3 174 31.051 58.358 -19.309 1.00 0.00 WT2 H ATOM 27102 H2 TIP3 174 32.169 57.583 -19.974 1.00 0.00 WT2 H ATOM 27103 OH2 TIP3 178 74.042 77.452 -13.764 1.00 0.00 WT2 O ATOM 27104 H1 TIP3 178 74.926 77.751 -13.554 1.00 0.00 WT2 H ATOM 27105 H2 TIP3 178 73.469 77.998 -13.226 1.00 0.00 WT2 H ATOM 27106 OH2 TIP3 189 33.139 17.675 63.990 1.00 0.00 WT2 O ATOM 27107 H1 TIP3 189 33.958 18.154 63.862 1.00 0.00 WT2 H ATOM 27108 H2 TIP3 189 32.740 17.644 63.120 1.00 0.00 WT2 H ATOM 27109 OH2 TIP3 190 30.992 51.545 -18.261 1.00 0.00 WT2 O ATOM 27110 H1 TIP3 190 30.674 52.373 -17.901 1.00 0.00 WT2 H ATOM 27111 H2 TIP3 190 31.938 51.569 -18.121 1.00 0.00 WT2 H ATOM 27112 OH2 TIP3 191 44.276 66.192 -1.609 1.00 0.00 WT2 O ATOM 27113 H1 TIP3 191 45.010 66.513 -1.085 1.00 0.00 WT2 H ATOM 27114 H2 TIP3 191 44.342 65.239 -1.556 1.00 0.00 WT2 H ATOM 27115 OH2 TIP3 192 30.027 22.259 59.260 1.00 0.00 WT2 O ATOM 27116 H1 TIP3 192 29.483 22.731 59.891 1.00 0.00 WT2 H ATOM 27117 H2 TIP3 192 30.889 22.668 59.334 1.00 0.00 WT2 H ATOM 27118 OH2 TIP3 193 73.535 31.007 8.830 1.00 0.00 WT2 O ATOM 27119 H1 TIP3 193 74.393 30.591 8.913 1.00 0.00 WT2 H ATOM 27120 H2 TIP3 193 73.685 31.919 9.079 1.00 0.00 WT2 H ATOM 27121 OH2 TIP3 195 82.067 22.280 -6.013 1.00 0.00 WT2 O ATOM 27122 H1 TIP3 195 82.177 21.337 -6.134 1.00 0.00 WT2 H ATOM 27123 H2 TIP3 195 81.140 22.388 -5.799 1.00 0.00 WT2 H ATOM 27124 OH2 TIP3 196 88.706 89.683 -1.919 1.00 0.00 WT2 O ATOM 27125 H1 TIP3 196 89.248 89.460 -1.161 1.00 0.00 WT2 H ATOM 27126 H2 TIP3 196 88.462 90.598 -1.778 1.00 0.00 WT2 H ATOM 27127 OH2 TIP3 199 32.311 63.815 -3.575 1.00 0.00 WT2 O ATOM 27128 H1 TIP3 199 32.043 64.489 -4.200 1.00 0.00 WT2 H ATOM 27129 H2 TIP3 199 33.187 64.081 -3.297 1.00 0.00 WT2 H ATOM 27130 OH2 TIP3 212 25.790 25.351 44.753 1.00 0.00 WT2 O ATOM 27131 H1 TIP3 212 26.216 26.085 44.308 1.00 0.00 WT2 H ATOM 27132 H2 TIP3 212 26.053 25.441 45.669 1.00 0.00 WT2 H ATOM 27133 OH2 TIP3 214 37.673 29.860 29.858 1.00 0.00 WT2 O ATOM 27134 H1 TIP3 214 37.200 30.692 29.822 1.00 0.00 WT2 H ATOM 27135 H2 TIP3 214 37.574 29.567 30.764 1.00 0.00 WT2 H ATOM 27136 OH2 TIP3 217 72.568 50.135 -3.023 1.00 0.00 WT2 O ATOM 27137 H1 TIP3 217 72.304 51.054 -3.063 1.00 0.00 WT2 H ATOM 27138 H2 TIP3 217 71.833 49.657 -3.407 1.00 0.00 WT2 H ATOM 27139 OH2 TIP3 233 58.801 29.656 17.361 1.00 0.00 WT2 O ATOM 27140 H1 TIP3 233 58.190 29.999 16.709 1.00 0.00 WT2 H ATOM 27141 H2 TIP3 233 58.563 30.104 18.173 1.00 0.00 WT2 H ATOM 27142 OH2 TIP3 235 28.599 2.173 15.361 1.00 0.00 WT2 O ATOM 27143 H1 TIP3 235 28.460 2.428 14.449 1.00 0.00 WT2 H ATOM 27144 H2 TIP3 235 29.550 2.183 15.470 1.00 0.00 WT2 H ATOM 27145 OH2 TIP3 236 25.646 74.099 3.557 1.00 0.00 WT2 O ATOM 27146 H1 TIP3 236 25.309 74.932 3.887 1.00 0.00 WT2 H ATOM 27147 H2 TIP3 236 25.089 73.437 3.965 1.00 0.00 WT2 H ATOM 27148 OH2 TIP3 237 64.263 16.538 -17.996 1.00 0.00 WT2 O ATOM 27149 H1 TIP3 237 63.657 15.815 -17.834 1.00 0.00 WT2 H ATOM 27150 H2 TIP3 237 63.896 16.994 -18.753 1.00 0.00 WT2 H ATOM 27151 OH2 TIP3 239 24.851 26.166 60.332 1.00 0.00 WT2 O ATOM 27152 H1 TIP3 239 24.736 27.032 60.723 1.00 0.00 WT2 H ATOM 27153 H2 TIP3 239 25.301 26.333 59.505 1.00 0.00 WT2 H ATOM 27154 OH2 TIP3 244 70.861 26.708 1.737 1.00 0.00 WT2 O ATOM 27155 H1 TIP3 244 69.992 26.343 1.573 1.00 0.00 WT2 H ATOM 27156 H2 TIP3 244 71.237 26.142 2.411 1.00 0.00 WT2 H ATOM 27157 OH2 TIP3 252 48.528 85.804 44.429 1.00 0.00 WT2 O ATOM 27158 H1 TIP3 252 48.218 86.599 44.864 1.00 0.00 WT2 H ATOM 27159 H2 TIP3 252 48.729 85.202 45.146 1.00 0.00 WT2 H ATOM 27160 OH2 TIP3 253 40.475 45.553 -18.162 1.00 0.00 WT2 O ATOM 27161 H1 TIP3 253 41.204 46.138 -18.369 1.00 0.00 WT2 H ATOM 27162 H2 TIP3 253 40.848 44.674 -18.225 1.00 0.00 WT2 H ATOM 27163 OH2 TIP3 255 74.885 56.666 -18.839 1.00 0.00 WT2 O ATOM 27164 H1 TIP3 255 74.923 55.819 -18.395 1.00 0.00 WT2 H ATOM 27165 H2 TIP3 255 74.344 57.212 -18.269 1.00 0.00 WT2 H ATOM 27166 OH2 TIP3 256 68.472 87.634 66.962 1.00 0.00 WT2 O ATOM 27167 H1 TIP3 256 68.148 86.736 67.039 1.00 0.00 WT2 H ATOM 27168 H2 TIP3 256 67.682 88.172 66.922 1.00 0.00 WT2 H ATOM 27169 OH2 TIP3 257 29.169 93.655 7.602 1.00 0.00 WT2 O ATOM 27170 H1 TIP3 257 29.490 94.142 8.361 1.00 0.00 WT2 H ATOM 27171 H2 TIP3 257 29.961 93.402 7.127 1.00 0.00 WT2 H ATOM 27172 OH2 TIP3 258 63.269 61.411 -4.640 1.00 0.00 WT2 O ATOM 27173 H1 TIP3 258 62.896 60.806 -4.000 1.00 0.00 WT2 H ATOM 27174 H2 TIP3 258 62.542 61.986 -4.879 1.00 0.00 WT2 H ATOM 27175 OH2 TIP3 260 82.836 25.334 -3.351 1.00 0.00 WT2 O ATOM 27176 H1 TIP3 260 83.100 24.959 -4.192 1.00 0.00 WT2 H ATOM 27177 H2 TIP3 260 83.214 26.214 -3.352 1.00 0.00 WT2 H ATOM 27178 OH2 TIP3 262 78.745 90.504 38.397 1.00 0.00 WT2 O ATOM 27179 H1 TIP3 262 79.543 90.425 37.874 1.00 0.00 WT2 H ATOM 27180 H2 TIP3 262 78.053 90.158 37.833 1.00 0.00 WT2 H ATOM 27181 OH2 TIP3 273 79.708 16.228 -14.450 1.00 0.00 WT2 O ATOM 27182 H1 TIP3 273 79.114 16.543 -13.768 1.00 0.00 WT2 H ATOM 27183 H2 TIP3 273 79.244 16.399 -15.270 1.00 0.00 WT2 H ATOM 27184 OH2 TIP3 278 72.497 50.677 35.676 1.00 0.00 WT2 O ATOM 27185 H1 TIP3 278 72.260 51.600 35.764 1.00 0.00 WT2 H ATOM 27186 H2 TIP3 278 71.667 50.207 35.757 1.00 0.00 WT2 H ATOM 27187 OH2 TIP3 279 58.817 11.310 -8.263 1.00 0.00 WT2 O ATOM 27188 H1 TIP3 279 58.161 10.617 -8.183 1.00 0.00 WT2 H ATOM 27189 H2 TIP3 279 58.331 12.120 -8.103 1.00 0.00 WT2 H ATOM 27190 OH2 TIP3 280 69.462 33.273 11.974 1.00 0.00 WT2 O ATOM 27191 H1 TIP3 280 69.569 32.479 12.498 1.00 0.00 WT2 H ATOM 27192 H2 TIP3 280 68.909 33.841 12.510 1.00 0.00 WT2 H ATOM 27193 OH2 TIP3 295 49.313 4.169 66.699 1.00 0.00 WT2 O ATOM 27194 H1 TIP3 295 48.526 3.992 67.213 1.00 0.00 WT2 H ATOM 27195 H2 TIP3 295 49.989 4.356 67.351 1.00 0.00 WT2 H ATOM 27196 OH2 TIP3 296 27.468 52.378 54.098 1.00 0.00 WT2 O ATOM 27197 H1 TIP3 296 26.799 52.920 54.515 1.00 0.00 WT2 H ATOM 27198 H2 TIP3 296 27.718 51.744 54.771 1.00 0.00 WT2 H ATOM 27199 OH2 TIP3 297 82.859 15.703 -2.629 1.00 0.00 WT2 O ATOM 27200 H1 TIP3 297 81.920 15.543 -2.727 1.00 0.00 WT2 H ATOM 27201 H2 TIP3 297 83.015 15.648 -1.687 1.00 0.00 WT2 H ATOM 27202 OH2 TIP3 299 74.143 25.797 1.428 1.00 0.00 WT2 O ATOM 27203 H1 TIP3 299 74.637 25.704 0.613 1.00 0.00 WT2 H ATOM 27204 H2 TIP3 299 74.585 26.505 1.897 1.00 0.00 WT2 H ATOM 27205 OH2 TIP3 300 78.839 42.106 27.012 1.00 0.00 WT2 O ATOM 27206 H1 TIP3 300 79.350 41.703 26.310 1.00 0.00 WT2 H ATOM 27207 H2 TIP3 300 79.319 42.905 27.230 1.00 0.00 WT2 H ATOM 27208 OH2 TIP3 301 38.635 16.182 -12.219 1.00 0.00 WT2 O ATOM 27209 H1 TIP3 301 37.991 15.602 -11.813 1.00 0.00 WT2 H ATOM 27210 H2 TIP3 301 38.987 16.696 -11.492 1.00 0.00 WT2 H ATOM 27211 OH2 TIP3 302 25.159 21.567 42.429 1.00 0.00 WT2 O ATOM 27212 H1 TIP3 302 26.042 21.531 42.060 1.00 0.00 WT2 H ATOM 27213 H2 TIP3 302 24.667 20.909 41.938 1.00 0.00 WT2 H ATOM 27214 OH2 TIP3 303 87.797 44.050 43.842 1.00 0.00 WT2 O ATOM 27215 H1 TIP3 303 87.114 43.613 44.351 1.00 0.00 WT2 H ATOM 27216 H2 TIP3 303 88.580 43.986 44.388 1.00 0.00 WT2 H ATOM 27217 OH2 TIP3 315 29.217 36.357 28.579 1.00 0.00 WT2 O ATOM 27218 H1 TIP3 315 29.191 36.874 27.775 1.00 0.00 WT2 H ATOM 27219 H2 TIP3 315 28.734 35.558 28.366 1.00 0.00 WT2 H ATOM 27220 OH2 TIP3 316 78.229 38.710 2.746 1.00 0.00 WT2 O ATOM 27221 H1 TIP3 316 77.688 37.930 2.870 1.00 0.00 WT2 H ATOM 27222 H2 TIP3 316 78.896 38.651 3.430 1.00 0.00 WT2 H ATOM 27223 OH2 TIP3 317 45.497 55.782 -2.992 1.00 0.00 WT2 O ATOM 27224 H1 TIP3 317 46.218 55.707 -3.617 1.00 0.00 WT2 H ATOM 27225 H2 TIP3 317 45.797 55.302 -2.220 1.00 0.00 WT2 H ATOM 27226 OH2 TIP3 319 21.654 86.925 3.563 1.00 0.00 WT2 O ATOM 27227 H1 TIP3 319 21.721 87.178 4.484 1.00 0.00 WT2 H ATOM 27228 H2 TIP3 319 20.772 87.194 3.304 1.00 0.00 WT2 H ATOM 27229 OH2 TIP3 320 60.061 23.856 11.358 1.00 0.00 WT2 O ATOM 27230 H1 TIP3 320 60.395 23.553 10.513 1.00 0.00 WT2 H ATOM 27231 H2 TIP3 320 59.263 23.347 11.496 1.00 0.00 WT2 H ATOM 27232 OH2 TIP3 321 81.572 68.393 -17.809 1.00 0.00 WT2 O ATOM 27233 H1 TIP3 321 81.030 67.983 -18.484 1.00 0.00 WT2 H ATOM 27234 H2 TIP3 321 81.109 68.218 -16.990 1.00 0.00 WT2 H ATOM 27235 OH2 TIP3 322 36.908 16.872 64.702 1.00 0.00 WT2 O ATOM 27236 H1 TIP3 322 36.314 16.464 64.072 1.00 0.00 WT2 H ATOM 27237 H2 TIP3 322 36.545 16.643 65.558 1.00 0.00 WT2 H ATOM 27238 OH2 TIP3 334 75.504 39.262 62.375 1.00 0.00 WT2 O ATOM 27239 H1 TIP3 334 75.182 38.580 62.965 1.00 0.00 WT2 H ATOM 27240 H2 TIP3 334 76.000 38.787 61.708 1.00 0.00 WT2 H ATOM 27241 OH2 TIP3 335 71.966 45.366 54.926 1.00 0.00 WT2 O ATOM 27242 H1 TIP3 335 71.152 45.866 54.875 1.00 0.00 WT2 H ATOM 27243 H2 TIP3 335 72.239 45.257 54.015 1.00 0.00 WT2 H ATOM 27244 OH2 TIP3 337 48.271 42.519 11.449 1.00 0.00 WT2 O ATOM 27245 H1 TIP3 337 47.515 42.411 12.026 1.00 0.00 WT2 H ATOM 27246 H2 TIP3 337 48.781 43.223 11.850 1.00 0.00 WT2 H ATOM 27247 OH2 TIP3 338 64.778 9.074 28.130 1.00 0.00 WT2 O ATOM 27248 H1 TIP3 338 65.074 8.407 28.749 1.00 0.00 WT2 H ATOM 27249 H2 TIP3 338 64.457 8.578 27.377 1.00 0.00 WT2 H ATOM 27250 OH2 TIP3 339 33.836 49.704 49.098 1.00 0.00 WT2 O ATOM 27251 H1 TIP3 339 34.231 50.538 49.352 1.00 0.00 WT2 H ATOM 27252 H2 TIP3 339 32.966 49.939 48.776 1.00 0.00 WT2 H ATOM 27253 OH2 TIP3 340 56.312 89.747 -11.034 1.00 0.00 WT2 O ATOM 27254 H1 TIP3 340 57.077 89.210 -10.828 1.00 0.00 WT2 H ATOM 27255 H2 TIP3 340 55.601 89.118 -11.151 1.00 0.00 WT2 H ATOM 27256 OH2 TIP3 341 34.942 66.587 -13.715 1.00 0.00 WT2 O ATOM 27257 H1 TIP3 341 34.519 66.917 -12.923 1.00 0.00 WT2 H ATOM 27258 H2 TIP3 341 34.545 67.090 -14.427 1.00 0.00 WT2 H ATOM 27259 OH2 TIP3 344 36.926 16.790 -7.677 1.00 0.00 WT2 O ATOM 27260 H1 TIP3 344 36.961 16.372 -6.816 1.00 0.00 WT2 H ATOM 27261 H2 TIP3 344 36.388 16.203 -8.207 1.00 0.00 WT2 H ATOM 27262 OH2 TIP3 346 46.535 29.033 43.529 1.00 0.00 WT2 O ATOM 27263 H1 TIP3 346 46.886 29.915 43.407 1.00 0.00 WT2 H ATOM 27264 H2 TIP3 346 46.995 28.695 44.297 1.00 0.00 WT2 H ATOM 27265 OH2 TIP3 361 76.263 83.951 55.434 1.00 0.00 WT2 O ATOM 27266 H1 TIP3 361 76.805 83.162 55.417 1.00 0.00 WT2 H ATOM 27267 H2 TIP3 361 76.576 84.473 54.696 1.00 0.00 WT2 H ATOM 27268 OH2 TIP3 362 88.846 70.319 -17.542 1.00 0.00 WT2 O ATOM 27269 H1 TIP3 362 88.935 70.443 -18.487 1.00 0.00 WT2 H ATOM 27270 H2 TIP3 362 88.310 69.531 -17.454 1.00 0.00 WT2 H ATOM 27271 OH2 TIP3 364 59.650 71.467 44.911 1.00 0.00 WT2 O ATOM 27272 H1 TIP3 364 59.758 70.825 45.613 1.00 0.00 WT2 H ATOM 27273 H2 TIP3 364 59.283 70.966 44.182 1.00 0.00 WT2 H ATOM 27274 OH2 TIP3 375 71.667 13.083 53.809 1.00 0.00 WT2 O ATOM 27275 H1 TIP3 375 70.849 12.969 54.294 1.00 0.00 WT2 H ATOM 27276 H2 TIP3 375 71.424 12.947 52.893 1.00 0.00 WT2 H ATOM 27277 OH2 TIP3 378 32.376 33.521 10.670 1.00 0.00 WT2 O ATOM 27278 H1 TIP3 378 32.402 34.182 9.978 1.00 0.00 WT2 H ATOM 27279 H2 TIP3 378 31.642 32.953 10.432 1.00 0.00 WT2 H ATOM 27280 OH2 TIP3 381 74.660 54.152 35.887 1.00 0.00 WT2 O ATOM 27281 H1 TIP3 381 74.404 54.964 35.450 1.00 0.00 WT2 H ATOM 27282 H2 TIP3 381 74.771 53.522 35.175 1.00 0.00 WT2 H ATOM 27283 OH2 TIP3 383 50.881 43.715 43.328 1.00 0.00 WT2 O ATOM 27284 H1 TIP3 383 50.180 43.111 43.080 1.00 0.00 WT2 H ATOM 27285 H2 TIP3 383 51.687 43.223 43.173 1.00 0.00 WT2 H ATOM 27286 OH2 TIP3 384 25.499 23.844 4.889 1.00 0.00 WT2 O ATOM 27287 H1 TIP3 384 24.935 24.520 4.514 1.00 0.00 WT2 H ATOM 27288 H2 TIP3 384 26.028 24.306 5.539 1.00 0.00 WT2 H ATOM 27289 OH2 TIP3 385 41.235 50.527 49.237 1.00 0.00 WT2 O ATOM 27290 H1 TIP3 385 41.116 51.476 49.217 1.00 0.00 WT2 H ATOM 27291 H2 TIP3 385 41.864 50.379 49.943 1.00 0.00 WT2 H ATOM 27292 OH2 TIP3 387 40.664 60.796 59.977 1.00 0.00 WT2 O ATOM 27293 H1 TIP3 387 41.128 61.335 59.337 1.00 0.00 WT2 H ATOM 27294 H2 TIP3 387 39.837 60.574 59.549 1.00 0.00 WT2 H ATOM 27295 OH2 TIP3 392 48.570 56.205 -18.574 1.00 0.00 WT2 O ATOM 27296 H1 TIP3 392 47.622 56.255 -18.450 1.00 0.00 WT2 H ATOM 27297 H2 TIP3 392 48.898 57.047 -18.257 1.00 0.00 WT2 H ATOM 27298 OH2 TIP3 398 76.571 74.119 29.482 1.00 0.00 WT2 O ATOM 27299 H1 TIP3 398 76.450 73.269 29.059 1.00 0.00 WT2 H ATOM 27300 H2 TIP3 398 76.334 74.758 28.809 1.00 0.00 WT2 H ATOM 27301 OH2 TIP3 401 41.067 35.337 40.482 1.00 0.00 WT2 O ATOM 27302 H1 TIP3 401 40.421 35.029 39.845 1.00 0.00 WT2 H ATOM 27303 H2 TIP3 401 41.823 34.766 40.351 1.00 0.00 WT2 H ATOM 27304 OH2 TIP3 403 55.259 69.250 -10.863 1.00 0.00 WT2 O ATOM 27305 H1 TIP3 403 54.713 69.188 -11.647 1.00 0.00 WT2 H ATOM 27306 H2 TIP3 403 54.674 69.014 -10.143 1.00 0.00 WT2 H ATOM 27307 OH2 TIP3 404 50.105 95.622 45.198 1.00 0.00 WT2 O ATOM 27308 H1 TIP3 404 50.029 95.724 44.249 1.00 0.00 WT2 H ATOM 27309 H2 TIP3 404 50.514 94.764 45.315 1.00 0.00 WT2 H ATOM 27310 OH2 TIP3 406 22.063 61.697 -2.194 1.00 0.00 WT2 O ATOM 27311 H1 TIP3 406 21.492 62.465 -2.174 1.00 0.00 WT2 H ATOM 27312 H2 TIP3 406 22.602 61.777 -1.408 1.00 0.00 WT2 H ATOM 27313 OH2 TIP3 407 52.446 82.405 5.177 1.00 0.00 WT2 O ATOM 27314 H1 TIP3 407 52.966 81.722 4.753 1.00 0.00 WT2 H ATOM 27315 H2 TIP3 407 52.474 82.185 6.108 1.00 0.00 WT2 H ATOM 27316 OH2 TIP3 416 53.393 66.413 29.438 1.00 0.00 WT2 O ATOM 27317 H1 TIP3 416 52.739 65.896 28.969 1.00 0.00 WT2 H ATOM 27318 H2 TIP3 416 54.200 65.903 29.367 1.00 0.00 WT2 H ATOM 27319 OH2 TIP3 420 54.447 37.926 47.642 1.00 0.00 WT2 O ATOM 27320 H1 TIP3 420 55.039 38.520 48.105 1.00 0.00 WT2 H ATOM 27321 H2 TIP3 420 53.653 38.441 47.501 1.00 0.00 WT2 H ATOM 27322 OH2 TIP3 424 32.525 71.275 3.107 1.00 0.00 WT2 O ATOM 27323 H1 TIP3 424 32.492 71.437 4.049 1.00 0.00 WT2 H ATOM 27324 H2 TIP3 424 33.339 71.688 2.820 1.00 0.00 WT2 H ATOM 27325 OH2 TIP3 425 44.011 58.916 15.291 1.00 0.00 WT2 O ATOM 27326 H1 TIP3 425 43.912 59.868 15.298 1.00 0.00 WT2 H ATOM 27327 H2 TIP3 425 44.753 58.747 15.871 1.00 0.00 WT2 H ATOM 27328 OH2 TIP3 426 87.313 70.921 -14.792 1.00 0.00 WT2 O ATOM 27329 H1 TIP3 426 86.463 70.896 -15.232 1.00 0.00 WT2 H ATOM 27330 H2 TIP3 426 87.929 70.579 -15.440 1.00 0.00 WT2 H ATOM 27331 OH2 TIP3 427 35.498 16.401 -13.435 1.00 0.00 WT2 O ATOM 27332 H1 TIP3 427 35.422 15.874 -14.230 1.00 0.00 WT2 H ATOM 27333 H2 TIP3 427 36.372 16.788 -13.486 1.00 0.00 WT2 H ATOM 27334 OH2 TIP3 430 48.276 23.298 40.859 1.00 0.00 WT2 O ATOM 27335 H1 TIP3 430 48.016 24.168 41.161 1.00 0.00 WT2 H ATOM 27336 H2 TIP3 430 48.045 23.288 39.930 1.00 0.00 WT2 H ATOM 27337 OH2 TIP3 439 81.571 47.632 30.574 1.00 0.00 WT2 O ATOM 27338 H1 TIP3 439 80.931 48.340 30.500 1.00 0.00 WT2 H ATOM 27339 H2 TIP3 439 81.324 47.168 31.374 1.00 0.00 WT2 H ATOM 27340 OH2 TIP3 443 58.337 0.375 63.216 1.00 0.00 WT2 O ATOM 27341 H1 TIP3 443 59.257 0.376 63.480 1.00 0.00 WT2 H ATOM 27342 H2 TIP3 443 58.080 -0.547 63.243 1.00 0.00 WT2 H ATOM 27343 OH2 TIP3 444 61.504 50.204 43.185 1.00 0.00 WT2 O ATOM 27344 H1 TIP3 444 61.886 49.346 42.996 1.00 0.00 WT2 H ATOM 27345 H2 TIP3 444 62.225 50.712 43.554 1.00 0.00 WT2 H ATOM 27346 OH2 TIP3 445 68.598 58.677 40.956 1.00 0.00 WT2 O ATOM 27347 H1 TIP3 445 68.361 59.455 41.460 1.00 0.00 WT2 H ATOM 27348 H2 TIP3 445 67.779 58.397 40.548 1.00 0.00 WT2 H ATOM 27349 OH2 TIP3 446 70.261 6.239 55.049 1.00 0.00 WT2 O ATOM 27350 H1 TIP3 446 70.123 5.365 54.683 1.00 0.00 WT2 H ATOM 27351 H2 TIP3 446 70.183 6.828 54.300 1.00 0.00 WT2 H ATOM 27352 OH2 TIP3 447 77.765 95.461 40.127 1.00 0.00 WT2 O ATOM 27353 H1 TIP3 447 76.823 95.351 40.258 1.00 0.00 WT2 H ATOM 27354 H2 TIP3 447 78.098 94.570 40.023 1.00 0.00 WT2 H ATOM 27355 OH2 TIP3 450 43.615 69.986 2.543 1.00 0.00 WT2 O ATOM 27356 H1 TIP3 450 43.889 69.127 2.221 1.00 0.00 WT2 H ATOM 27357 H2 TIP3 450 44.149 70.131 3.324 1.00 0.00 WT2 H ATOM 27358 OH2 TIP3 460 72.937 32.247 -5.923 1.00 0.00 WT2 O ATOM 27359 H1 TIP3 460 73.272 33.037 -5.499 1.00 0.00 WT2 H ATOM 27360 H2 TIP3 460 72.183 31.990 -5.393 1.00 0.00 WT2 H ATOM 27361 OH2 TIP3 465 77.860 2.461 -19.288 1.00 0.00 WT2 O ATOM 27362 H1 TIP3 465 77.533 2.893 -20.078 1.00 0.00 WT2 H ATOM 27363 H2 TIP3 465 77.543 3.006 -18.568 1.00 0.00 WT2 H ATOM 27364 OH2 TIP3 466 34.029 65.233 9.823 1.00 0.00 WT2 O ATOM 27365 H1 TIP3 466 34.073 65.852 10.552 1.00 0.00 WT2 H ATOM 27366 H2 TIP3 466 34.786 65.450 9.278 1.00 0.00 WT2 H ATOM 27367 OH2 TIP3 467 54.681 35.654 -5.629 1.00 0.00 WT2 O ATOM 27368 H1 TIP3 467 55.394 35.029 -5.494 1.00 0.00 WT2 H ATOM 27369 H2 TIP3 467 54.301 35.777 -4.759 1.00 0.00 WT2 H ATOM 27370 OH2 TIP3 468 37.812 66.025 25.697 1.00 0.00 WT2 O ATOM 27371 H1 TIP3 468 38.057 65.206 26.128 1.00 0.00 WT2 H ATOM 27372 H2 TIP3 468 38.586 66.269 25.189 1.00 0.00 WT2 H ATOM 27373 OH2 TIP3 469 24.563 72.312 49.731 1.00 0.00 WT2 O ATOM 27374 H1 TIP3 469 24.126 73.164 49.710 1.00 0.00 WT2 H ATOM 27375 H2 TIP3 469 24.928 72.208 48.852 1.00 0.00 WT2 H ATOM 27376 OH2 TIP3 470 49.678 71.722 -8.967 1.00 0.00 WT2 O ATOM 27377 H1 TIP3 470 49.356 71.655 -8.068 1.00 0.00 WT2 H ATOM 27378 H2 TIP3 470 48.914 71.528 -9.510 1.00 0.00 WT2 H ATOM 27379 OH2 TIP3 472 31.064 19.419 64.673 1.00 0.00 WT2 O ATOM 27380 H1 TIP3 472 31.235 20.050 65.372 1.00 0.00 WT2 H ATOM 27381 H2 TIP3 472 31.881 18.929 64.586 1.00 0.00 WT2 H ATOM 27382 OH2 TIP3 478 81.922 56.371 34.708 1.00 0.00 WT2 O ATOM 27383 H1 TIP3 478 81.714 57.276 34.939 1.00 0.00 WT2 H ATOM 27384 H2 TIP3 478 81.294 56.148 34.021 1.00 0.00 WT2 H ATOM 27385 OH2 TIP3 483 53.271 19.890 9.827 1.00 0.00 WT2 O ATOM 27386 H1 TIP3 483 53.256 19.905 8.870 1.00 0.00 WT2 H ATOM 27387 H2 TIP3 483 53.016 18.996 10.057 1.00 0.00 WT2 H ATOM 27388 OH2 TIP3 484 86.460 85.538 24.008 1.00 0.00 WT2 O ATOM 27389 H1 TIP3 484 85.797 85.976 24.542 1.00 0.00 WT2 H ATOM 27390 H2 TIP3 484 86.665 86.168 23.316 1.00 0.00 WT2 H ATOM 27391 OH2 TIP3 485 42.761 61.561 62.182 1.00 0.00 WT2 O ATOM 27392 H1 TIP3 485 42.395 60.684 62.065 1.00 0.00 WT2 H ATOM 27393 H2 TIP3 485 42.758 61.942 61.304 1.00 0.00 WT2 H ATOM 27394 OH2 TIP3 486 87.671 69.905 48.668 1.00 0.00 WT2 O ATOM 27395 H1 TIP3 486 87.147 69.150 48.933 1.00 0.00 WT2 H ATOM 27396 H2 TIP3 486 87.735 69.831 47.716 1.00 0.00 WT2 H ATOM 27397 OH2 TIP3 488 59.567 83.983 32.128 1.00 0.00 WT2 O ATOM 27398 H1 TIP3 488 59.402 84.691 31.505 1.00 0.00 WT2 H ATOM 27399 H2 TIP3 488 59.331 83.186 31.654 1.00 0.00 WT2 H ATOM 27400 OH2 TIP3 489 87.645 14.079 49.265 1.00 0.00 WT2 O ATOM 27401 H1 TIP3 489 88.160 13.359 49.629 1.00 0.00 WT2 H ATOM 27402 H2 TIP3 489 88.295 14.733 49.008 1.00 0.00 WT2 H ATOM 27403 OH2 TIP3 492 87.849 19.695 -16.412 1.00 0.00 WT2 O ATOM 27404 H1 TIP3 492 87.241 20.364 -16.099 1.00 0.00 WT2 H ATOM 27405 H2 TIP3 492 88.313 19.405 -15.626 1.00 0.00 WT2 H ATOM 27406 OH2 TIP3 503 87.308 36.250 8.920 1.00 0.00 WT2 O ATOM 27407 H1 TIP3 503 86.373 36.422 9.035 1.00 0.00 WT2 H ATOM 27408 H2 TIP3 503 87.484 35.498 9.486 1.00 0.00 WT2 H ATOM 27409 OH2 TIP3 506 27.107 37.496 -15.253 1.00 0.00 WT2 O ATOM 27410 H1 TIP3 506 27.800 37.969 -14.792 1.00 0.00 WT2 H ATOM 27411 H2 TIP3 506 27.110 37.864 -16.136 1.00 0.00 WT2 H ATOM 27412 OH2 TIP3 507 23.619 25.993 -15.816 1.00 0.00 WT2 O ATOM 27413 H1 TIP3 507 23.053 25.747 -16.548 1.00 0.00 WT2 H ATOM 27414 H2 TIP3 507 24.493 26.060 -16.200 1.00 0.00 WT2 H ATOM 27415 OH2 TIP3 508 62.531 96.933 1.379 1.00 0.00 WT2 O ATOM 27416 H1 TIP3 508 63.181 96.630 2.012 1.00 0.00 WT2 H ATOM 27417 H2 TIP3 508 61.838 96.273 1.411 1.00 0.00 WT2 H ATOM 27418 OH2 TIP3 509 66.549 0.032 -2.260 1.00 0.00 WT2 O ATOM 27419 H1 TIP3 509 65.721 0.037 -2.740 1.00 0.00 WT2 H ATOM 27420 H2 TIP3 509 67.057 0.743 -2.649 1.00 0.00 WT2 H ATOM 27421 OH2 TIP3 511 86.576 82.147 36.817 1.00 0.00 WT2 O ATOM 27422 H1 TIP3 511 85.855 81.733 36.342 1.00 0.00 WT2 H ATOM 27423 H2 TIP3 511 86.797 81.524 37.509 1.00 0.00 WT2 H ATOM 27424 OH2 TIP3 512 63.687 9.507 20.196 1.00 0.00 WT2 O ATOM 27425 H1 TIP3 512 63.390 9.042 19.414 1.00 0.00 WT2 H ATOM 27426 H2 TIP3 512 64.517 9.088 20.423 1.00 0.00 WT2 H ATOM 27427 OH2 TIP3 513 22.015 10.447 -1.302 1.00 0.00 WT2 O ATOM 27428 H1 TIP3 513 22.945 10.653 -1.211 1.00 0.00 WT2 H ATOM 27429 H2 TIP3 513 21.639 10.651 -0.446 1.00 0.00 WT2 H ATOM 27430 OH2 TIP3 517 27.830 5.177 15.132 1.00 0.00 WT2 O ATOM 27431 H1 TIP3 517 27.973 6.070 14.816 1.00 0.00 WT2 H ATOM 27432 H2 TIP3 517 28.590 4.995 15.686 1.00 0.00 WT2 H ATOM 27433 OH2 TIP3 528 53.997 49.827 43.955 1.00 0.00 WT2 O ATOM 27434 H1 TIP3 528 54.288 49.047 43.483 1.00 0.00 WT2 H ATOM 27435 H2 TIP3 528 54.346 49.716 44.840 1.00 0.00 WT2 H ATOM 27436 OH2 TIP3 529 38.785 9.425 0.419 1.00 0.00 WT2 O ATOM 27437 H1 TIP3 529 39.007 10.341 0.252 1.00 0.00 WT2 H ATOM 27438 H2 TIP3 529 39.567 8.938 0.158 1.00 0.00 WT2 H ATOM 27439 OH2 TIP3 530 90.983 8.177 55.121 1.00 0.00 WT2 O ATOM 27440 H1 TIP3 530 90.664 7.305 54.886 1.00 0.00 WT2 H ATOM 27441 H2 TIP3 530 90.283 8.552 55.655 1.00 0.00 WT2 H ATOM 27442 OH2 TIP3 532 52.607 91.490 62.912 1.00 0.00 WT2 O ATOM 27443 H1 TIP3 532 53.106 90.674 62.878 1.00 0.00 WT2 H ATOM 27444 H2 TIP3 532 52.589 91.721 63.841 1.00 0.00 WT2 H ATOM 27445 OH2 TIP3 533 58.847 18.628 52.784 1.00 0.00 WT2 O ATOM 27446 H1 TIP3 533 59.188 19.514 52.901 1.00 0.00 WT2 H ATOM 27447 H2 TIP3 533 59.015 18.425 51.864 1.00 0.00 WT2 H ATOM 27448 OH2 TIP3 535 71.038 35.892 -4.714 1.00 0.00 WT2 O ATOM 27449 H1 TIP3 535 71.260 36.282 -5.560 1.00 0.00 WT2 H ATOM 27450 H2 TIP3 535 70.090 36.001 -4.640 1.00 0.00 WT2 H ATOM 27451 OH2 TIP3 543 58.378 13.895 35.463 1.00 0.00 WT2 O ATOM 27452 H1 TIP3 543 57.910 14.706 35.263 1.00 0.00 WT2 H ATOM 27453 H2 TIP3 543 59.162 13.930 34.915 1.00 0.00 WT2 H ATOM 27454 OH2 TIP3 547 83.811 74.139 7.346 1.00 0.00 WT2 O ATOM 27455 H1 TIP3 547 83.200 74.244 6.617 1.00 0.00 WT2 H ATOM 27456 H2 TIP3 547 83.969 73.196 7.393 1.00 0.00 WT2 H ATOM 27457 OH2 TIP3 549 81.124 62.133 33.552 1.00 0.00 WT2 O ATOM 27458 H1 TIP3 549 81.781 62.022 34.240 1.00 0.00 WT2 H ATOM 27459 H2 TIP3 549 80.562 62.840 33.869 1.00 0.00 WT2 H ATOM 27460 OH2 TIP3 550 72.508 71.981 36.900 1.00 0.00 WT2 O ATOM 27461 H1 TIP3 550 72.521 71.097 37.265 1.00 0.00 WT2 H ATOM 27462 H2 TIP3 550 72.155 71.872 36.017 1.00 0.00 WT2 H ATOM 27463 OH2 TIP3 551 46.893 1.397 62.210 1.00 0.00 WT2 O ATOM 27464 H1 TIP3 551 47.603 1.540 62.836 1.00 0.00 WT2 H ATOM 27465 H2 TIP3 551 46.280 0.823 62.669 1.00 0.00 WT2 H ATOM 27466 OH2 TIP3 554 29.477 14.862 -4.182 1.00 0.00 WT2 O ATOM 27467 H1 TIP3 554 29.869 14.411 -4.930 1.00 0.00 WT2 H ATOM 27468 H2 TIP3 554 30.164 14.864 -3.516 1.00 0.00 WT2 H ATOM 27469 OH2 TIP3 558 64.802 36.166 57.733 1.00 0.00 WT2 O ATOM 27470 H1 TIP3 558 64.415 36.705 58.423 1.00 0.00 WT2 H ATOM 27471 H2 TIP3 558 64.109 36.078 57.079 1.00 0.00 WT2 H ATOM 27472 OH2 TIP3 562 81.380 18.940 49.897 1.00 0.00 WT2 O ATOM 27473 H1 TIP3 562 80.733 18.239 49.810 1.00 0.00 WT2 H ATOM 27474 H2 TIP3 562 81.950 18.836 49.135 1.00 0.00 WT2 H ATOM 27475 OH2 TIP3 568 60.251 14.341 1.869 1.00 0.00 WT2 O ATOM 27476 H1 TIP3 568 59.470 13.927 1.504 1.00 0.00 WT2 H ATOM 27477 H2 TIP3 568 60.376 15.128 1.338 1.00 0.00 WT2 H ATOM 27478 OH2 TIP3 570 79.231 93.228 35.883 1.00 0.00 WT2 O ATOM 27479 H1 TIP3 570 78.500 92.626 36.019 1.00 0.00 WT2 H ATOM 27480 H2 TIP3 570 79.984 92.783 36.272 1.00 0.00 WT2 H ATOM 27481 OH2 TIP3 572 80.189 52.352 27.441 1.00 0.00 WT2 O ATOM 27482 H1 TIP3 572 79.287 52.110 27.231 1.00 0.00 WT2 H ATOM 27483 H2 TIP3 572 80.111 53.170 27.931 1.00 0.00 WT2 H ATOM 27484 OH2 TIP3 573 37.620 41.676 67.021 1.00 0.00 WT2 O ATOM 27485 H1 TIP3 573 38.272 42.111 66.471 1.00 0.00 WT2 H ATOM 27486 H2 TIP3 573 36.899 42.303 67.080 1.00 0.00 WT2 H ATOM 27487 OH2 TIP3 574 24.876 5.838 41.336 1.00 0.00 WT2 O ATOM 27488 H1 TIP3 574 25.198 5.150 41.919 1.00 0.00 WT2 H ATOM 27489 H2 TIP3 574 24.776 5.406 40.488 1.00 0.00 WT2 H ATOM 27490 OH2 TIP3 575 67.096 31.799 34.808 1.00 0.00 WT2 O ATOM 27491 H1 TIP3 575 67.402 32.702 34.729 1.00 0.00 WT2 H ATOM 27492 H2 TIP3 575 66.255 31.790 34.350 1.00 0.00 WT2 H ATOM 27493 OH2 TIP3 584 50.490 65.158 59.611 1.00 0.00 WT2 O ATOM 27494 H1 TIP3 584 50.856 65.948 60.008 1.00 0.00 WT2 H ATOM 27495 H2 TIP3 584 51.246 64.706 59.237 1.00 0.00 WT2 H ATOM 27496 OH2 TIP3 588 25.022 92.977 59.395 1.00 0.00 WT2 O ATOM 27497 H1 TIP3 588 25.772 93.572 59.407 1.00 0.00 WT2 H ATOM 27498 H2 TIP3 588 24.385 93.404 58.822 1.00 0.00 WT2 H ATOM 27499 OH2 TIP3 591 26.053 13.947 64.544 1.00 0.00 WT2 O ATOM 27500 H1 TIP3 591 26.781 13.554 65.026 1.00 0.00 WT2 H ATOM 27501 H2 TIP3 591 26.390 14.794 64.249 1.00 0.00 WT2 H ATOM 27502 OH2 TIP3 592 41.411 41.711 61.752 1.00 0.00 WT2 O ATOM 27503 H1 TIP3 592 41.549 42.655 61.829 1.00 0.00 WT2 H ATOM 27504 H2 TIP3 592 42.149 41.322 62.222 1.00 0.00 WT2 H ATOM 27505 OH2 TIP3 593 39.834 41.248 33.333 1.00 0.00 WT2 O ATOM 27506 H1 TIP3 593 40.065 40.984 32.443 1.00 0.00 WT2 H ATOM 27507 H2 TIP3 593 39.698 42.194 33.275 1.00 0.00 WT2 H ATOM 27508 OH2 TIP3 594 64.132 76.980 -19.355 1.00 0.00 WT2 O ATOM 27509 H1 TIP3 594 63.588 76.284 -19.725 1.00 0.00 WT2 H ATOM 27510 H2 TIP3 594 65.023 76.757 -19.625 1.00 0.00 WT2 H ATOM 27511 OH2 TIP3 595 67.187 70.137 61.404 1.00 0.00 WT2 O ATOM 27512 H1 TIP3 595 66.636 70.358 62.155 1.00 0.00 WT2 H ATOM 27513 H2 TIP3 595 66.621 69.614 60.837 1.00 0.00 WT2 H ATOM 27514 OH2 TIP3 596 23.431 79.867 6.976 1.00 0.00 WT2 O ATOM 27515 H1 TIP3 596 23.579 79.556 7.869 1.00 0.00 WT2 H ATOM 27516 H2 TIP3 596 24.307 80.064 6.643 1.00 0.00 WT2 H ATOM 27517 OH2 TIP3 611 52.840 18.073 -7.590 1.00 0.00 WT2 O ATOM 27518 H1 TIP3 611 53.550 17.838 -6.994 1.00 0.00 WT2 H ATOM 27519 H2 TIP3 611 52.585 17.245 -7.998 1.00 0.00 WT2 H ATOM 27520 OH2 TIP3 612 62.814 66.795 33.195 1.00 0.00 WT2 O ATOM 27521 H1 TIP3 612 62.389 67.170 32.424 1.00 0.00 WT2 H ATOM 27522 H2 TIP3 612 62.424 65.926 33.285 1.00 0.00 WT2 H ATOM 27523 OH2 TIP3 613 27.310 7.527 47.331 1.00 0.00 WT2 O ATOM 27524 H1 TIP3 613 28.012 7.121 47.839 1.00 0.00 WT2 H ATOM 27525 H2 TIP3 613 27.763 8.042 46.664 1.00 0.00 WT2 H ATOM 27526 OH2 TIP3 616 55.196 86.425 67.074 1.00 0.00 WT2 O ATOM 27527 H1 TIP3 616 56.053 86.743 67.358 1.00 0.00 WT2 H ATOM 27528 H2 TIP3 616 55.382 85.893 66.300 1.00 0.00 WT2 H ATOM 27529 OH2 TIP3 617 62.551 26.335 50.010 1.00 0.00 WT2 O ATOM 27530 H1 TIP3 617 63.170 27.054 50.139 1.00 0.00 WT2 H ATOM 27531 H2 TIP3 617 63.101 25.555 49.940 1.00 0.00 WT2 H ATOM 27532 OH2 TIP3 619 37.038 28.730 16.746 1.00 0.00 WT2 O ATOM 27533 H1 TIP3 619 37.310 28.245 17.524 1.00 0.00 WT2 H ATOM 27534 H2 TIP3 619 36.766 29.586 17.079 1.00 0.00 WT2 H ATOM 27535 OH2 TIP3 632 80.399 22.341 -0.335 1.00 0.00 WT2 O ATOM 27536 H1 TIP3 632 81.088 21.954 -0.874 1.00 0.00 WT2 H ATOM 27537 H2 TIP3 632 80.845 22.611 0.468 1.00 0.00 WT2 H ATOM 27538 OH2 TIP3 634 76.225 42.688 31.413 1.00 0.00 WT2 O ATOM 27539 H1 TIP3 634 76.215 43.639 31.305 1.00 0.00 WT2 H ATOM 27540 H2 TIP3 634 76.097 42.345 30.528 1.00 0.00 WT2 H ATOM 27541 OH2 TIP3 635 46.903 32.910 -10.480 1.00 0.00 WT2 O ATOM 27542 H1 TIP3 635 46.663 33.837 -10.482 1.00 0.00 WT2 H ATOM 27543 H2 TIP3 635 46.118 32.459 -10.172 1.00 0.00 WT2 H ATOM 27544 OH2 TIP3 638 23.719 41.634 38.517 1.00 0.00 WT2 O ATOM 27545 H1 TIP3 638 23.466 41.503 39.431 1.00 0.00 WT2 H ATOM 27546 H2 TIP3 638 22.913 41.915 38.083 1.00 0.00 WT2 H ATOM 27547 OH2 TIP3 640 39.607 17.429 29.423 1.00 0.00 WT2 O ATOM 27548 H1 TIP3 640 38.858 17.176 28.883 1.00 0.00 WT2 H ATOM 27549 H2 TIP3 640 40.233 16.713 29.315 1.00 0.00 WT2 H ATOM 27550 OH2 TIP3 653 42.683 34.837 -16.167 1.00 0.00 WT2 O ATOM 27551 H1 TIP3 653 42.845 34.037 -16.667 1.00 0.00 WT2 H ATOM 27552 H2 TIP3 653 43.447 34.923 -15.597 1.00 0.00 WT2 H ATOM 27553 OH2 TIP3 654 44.446 18.686 35.363 1.00 0.00 WT2 O ATOM 27554 H1 TIP3 654 44.521 18.724 34.410 1.00 0.00 WT2 H ATOM 27555 H2 TIP3 654 44.474 19.601 35.643 1.00 0.00 WT2 H ATOM 27556 OH2 TIP3 656 62.822 49.968 0.748 1.00 0.00 WT2 O ATOM 27557 H1 TIP3 656 62.995 50.295 -0.135 1.00 0.00 WT2 H ATOM 27558 H2 TIP3 656 62.640 50.754 1.264 1.00 0.00 WT2 H ATOM 27559 OH2 TIP3 657 42.838 49.583 42.853 1.00 0.00 WT2 O ATOM 27560 H1 TIP3 657 43.592 50.173 42.872 1.00 0.00 WT2 H ATOM 27561 H2 TIP3 657 42.079 50.165 42.805 1.00 0.00 WT2 H ATOM 27562 OH2 TIP3 659 78.509 72.043 26.142 1.00 0.00 WT2 O ATOM 27563 H1 TIP3 659 78.148 71.356 25.582 1.00 0.00 WT2 H ATOM 27564 H2 TIP3 659 78.077 71.915 26.987 1.00 0.00 WT2 H ATOM 27565 OH2 TIP3 660 31.998 56.817 41.716 1.00 0.00 WT2 O ATOM 27566 H1 TIP3 660 31.909 56.924 40.769 1.00 0.00 WT2 H ATOM 27567 H2 TIP3 660 32.914 57.028 41.895 1.00 0.00 WT2 H ATOM 27568 OH2 TIP3 672 49.882 32.611 51.392 1.00 0.00 WT2 O ATOM 27569 H1 TIP3 672 50.285 32.969 50.601 1.00 0.00 WT2 H ATOM 27570 H2 TIP3 672 49.782 31.677 51.209 1.00 0.00 WT2 H ATOM 27571 OH2 TIP3 674 76.808 68.081 59.946 1.00 0.00 WT2 O ATOM 27572 H1 TIP3 674 76.632 68.693 60.661 1.00 0.00 WT2 H ATOM 27573 H2 TIP3 674 76.677 67.216 60.334 1.00 0.00 WT2 H ATOM 27574 OH2 TIP3 675 77.425 51.440 13.637 1.00 0.00 WT2 O ATOM 27575 H1 TIP3 675 77.580 52.345 13.906 1.00 0.00 WT2 H ATOM 27576 H2 TIP3 675 77.315 50.961 14.458 1.00 0.00 WT2 H ATOM 27577 OH2 TIP3 676 89.845 37.219 53.257 1.00 0.00 WT2 O ATOM 27578 H1 TIP3 676 90.198 38.058 52.962 1.00 0.00 WT2 H ATOM 27579 H2 TIP3 676 89.115 37.044 52.663 1.00 0.00 WT2 H ATOM 27580 OH2 TIP3 677 35.977 73.906 10.642 1.00 0.00 WT2 O ATOM 27581 H1 TIP3 677 36.780 73.953 10.121 1.00 0.00 WT2 H ATOM 27582 H2 TIP3 677 35.816 72.969 10.751 1.00 0.00 WT2 H ATOM 27583 OH2 TIP3 680 74.047 28.328 2.948 1.00 0.00 WT2 O ATOM 27584 H1 TIP3 680 73.721 27.594 3.469 1.00 0.00 WT2 H ATOM 27585 H2 TIP3 680 74.709 28.740 3.504 1.00 0.00 WT2 H ATOM 27586 OH2 TIP3 682 45.385 15.311 48.834 1.00 0.00 WT2 O ATOM 27587 H1 TIP3 682 45.077 15.415 47.934 1.00 0.00 WT2 H ATOM 27588 H2 TIP3 682 45.119 14.425 49.078 1.00 0.00 WT2 H ATOM 27589 OH2 TIP3 683 80.677 45.449 -9.917 1.00 0.00 WT2 O ATOM 27590 H1 TIP3 683 80.058 45.985 -9.422 1.00 0.00 WT2 H ATOM 27591 H2 TIP3 683 81.377 45.253 -9.295 1.00 0.00 WT2 H ATOM 27592 OH2 TIP3 692 54.298 32.327 34.679 1.00 0.00 WT2 O ATOM 27593 H1 TIP3 692 53.355 32.392 34.832 1.00 0.00 WT2 H ATOM 27594 H2 TIP3 692 54.398 32.464 33.737 1.00 0.00 WT2 H ATOM 27595 OH2 TIP3 695 68.554 40.046 67.121 1.00 0.00 WT2 O ATOM 27596 H1 TIP3 695 68.874 39.344 67.688 1.00 0.00 WT2 H ATOM 27597 H2 TIP3 695 69.114 40.003 66.347 1.00 0.00 WT2 H ATOM 27598 OH2 TIP3 696 73.956 69.644 11.856 1.00 0.00 WT2 O ATOM 27599 H1 TIP3 696 73.557 69.349 12.675 1.00 0.00 WT2 H ATOM 27600 H2 TIP3 696 73.635 69.029 11.197 1.00 0.00 WT2 H ATOM 27601 OH2 TIP3 697 84.239 79.359 13.129 1.00 0.00 WT2 O ATOM 27602 H1 TIP3 697 84.861 78.637 13.216 1.00 0.00 WT2 H ATOM 27603 H2 TIP3 697 84.292 79.824 13.964 1.00 0.00 WT2 H ATOM 27604 OH2 TIP3 698 25.392 48.795 53.740 1.00 0.00 WT2 O ATOM 27605 H1 TIP3 698 24.931 48.990 52.925 1.00 0.00 WT2 H ATOM 27606 H2 TIP3 698 26.221 48.406 53.460 1.00 0.00 WT2 H ATOM 27607 OH2 TIP3 699 67.106 14.563 -3.768 1.00 0.00 WT2 O ATOM 27608 H1 TIP3 699 66.284 14.957 -4.061 1.00 0.00 WT2 H ATOM 27609 H2 TIP3 699 67.267 14.955 -2.910 1.00 0.00 WT2 H ATOM 27610 OH2 TIP3 715 33.620 0.069 15.919 1.00 0.00 WT2 O ATOM 27611 H1 TIP3 715 33.080 -0.630 15.552 1.00 0.00 WT2 H ATOM 27612 H2 TIP3 715 33.831 0.627 15.170 1.00 0.00 WT2 H ATOM 27613 OH2 TIP3 716 86.062 17.211 51.205 1.00 0.00 WT2 O ATOM 27614 H1 TIP3 716 85.930 17.815 50.474 1.00 0.00 WT2 H ATOM 27615 H2 TIP3 716 86.980 17.325 51.449 1.00 0.00 WT2 H ATOM 27616 OH2 TIP3 717 72.542 58.952 10.538 1.00 0.00 WT2 O ATOM 27617 H1 TIP3 717 72.273 58.746 9.643 1.00 0.00 WT2 H ATOM 27618 H2 TIP3 717 71.840 58.600 11.086 1.00 0.00 WT2 H ATOM 27619 OH2 TIP3 718 63.612 55.186 0.297 1.00 0.00 WT2 O ATOM 27620 H1 TIP3 718 63.902 54.746 1.095 1.00 0.00 WT2 H ATOM 27621 H2 TIP3 718 62.878 55.732 0.577 1.00 0.00 WT2 H ATOM 27622 OH2 TIP3 719 25.472 40.694 61.141 1.00 0.00 WT2 O ATOM 27623 H1 TIP3 719 25.857 40.550 62.005 1.00 0.00 WT2 H ATOM 27624 H2 TIP3 719 24.911 41.462 61.252 1.00 0.00 WT2 H ATOM 27625 OH2 TIP3 720 49.096 89.997 20.041 1.00 0.00 WT2 O ATOM 27626 H1 TIP3 720 48.457 90.193 20.727 1.00 0.00 WT2 H ATOM 27627 H2 TIP3 720 49.549 90.827 19.891 1.00 0.00 WT2 H ATOM 27628 OH2 TIP3 721 83.214 64.371 48.264 1.00 0.00 WT2 O ATOM 27629 H1 TIP3 721 84.073 64.079 47.959 1.00 0.00 WT2 H ATOM 27630 H2 TIP3 721 82.677 63.578 48.260 1.00 0.00 WT2 H ATOM 27631 OH2 TIP3 735 67.522 64.611 60.697 1.00 0.00 WT2 O ATOM 27632 H1 TIP3 735 68.096 64.541 61.460 1.00 0.00 WT2 H ATOM 27633 H2 TIP3 735 67.790 65.424 60.269 1.00 0.00 WT2 H ATOM 27634 OH2 TIP3 736 35.735 63.714 42.921 1.00 0.00 WT2 O ATOM 27635 H1 TIP3 736 35.924 63.220 42.123 1.00 0.00 WT2 H ATOM 27636 H2 TIP3 736 36.545 64.188 43.108 1.00 0.00 WT2 H ATOM 27637 OH2 TIP3 738 45.214 3.185 -7.962 1.00 0.00 WT2 O ATOM 27638 H1 TIP3 738 44.387 2.959 -7.538 1.00 0.00 WT2 H ATOM 27639 H2 TIP3 738 45.081 2.959 -8.883 1.00 0.00 WT2 H ATOM 27640 OH2 TIP3 739 33.920 65.859 61.344 1.00 0.00 WT2 O ATOM 27641 H1 TIP3 739 33.864 65.823 60.389 1.00 0.00 WT2 H ATOM 27642 H2 TIP3 739 34.802 65.543 61.545 1.00 0.00 WT2 H ATOM 27643 OH2 TIP3 740 47.667 37.036 37.279 1.00 0.00 WT2 O ATOM 27644 H1 TIP3 740 47.922 37.813 36.782 1.00 0.00 WT2 H ATOM 27645 H2 TIP3 740 48.103 36.311 36.831 1.00 0.00 WT2 H ATOM 27646 OH2 TIP3 741 24.884 15.829 -9.774 1.00 0.00 WT2 O ATOM 27647 H1 TIP3 741 24.092 15.302 -9.670 1.00 0.00 WT2 H ATOM 27648 H2 TIP3 741 24.625 16.537 -10.364 1.00 0.00 WT2 H ATOM 27649 OH2 TIP3 744 31.910 65.946 4.507 1.00 0.00 WT2 O ATOM 27650 H1 TIP3 744 32.864 65.874 4.466 1.00 0.00 WT2 H ATOM 27651 H2 TIP3 744 31.741 66.887 4.540 1.00 0.00 WT2 H ATOM 27652 OH2 TIP3 746 21.113 71.868 51.207 1.00 0.00 WT2 O ATOM 27653 H1 TIP3 746 21.954 72.129 51.583 1.00 0.00 WT2 H ATOM 27654 H2 TIP3 746 21.331 71.548 50.332 1.00 0.00 WT2 H ATOM 27655 OH2 TIP3 757 53.502 14.574 27.812 1.00 0.00 WT2 O ATOM 27656 H1 TIP3 757 53.545 15.528 27.878 1.00 0.00 WT2 H ATOM 27657 H2 TIP3 757 53.709 14.387 26.896 1.00 0.00 WT2 H ATOM 27658 OH2 TIP3 758 24.431 93.939 4.845 1.00 0.00 WT2 O ATOM 27659 H1 TIP3 758 25.173 93.414 5.146 1.00 0.00 WT2 H ATOM 27660 H2 TIP3 758 24.830 94.715 4.452 1.00 0.00 WT2 H ATOM 27661 OH2 TIP3 759 23.595 3.398 62.498 1.00 0.00 WT2 O ATOM 27662 H1 TIP3 759 23.295 2.569 62.870 1.00 0.00 WT2 H ATOM 27663 H2 TIP3 759 24.339 3.158 61.946 1.00 0.00 WT2 H ATOM 27664 OH2 TIP3 760 37.921 28.876 3.836 1.00 0.00 WT2 O ATOM 27665 H1 TIP3 760 38.272 27.995 3.705 1.00 0.00 WT2 H ATOM 27666 H2 TIP3 760 38.419 29.226 4.575 1.00 0.00 WT2 H ATOM 27667 OH2 TIP3 765 21.499 57.782 59.586 1.00 0.00 WT2 O ATOM 27668 H1 TIP3 765 21.253 57.571 60.487 1.00 0.00 WT2 H ATOM 27669 H2 TIP3 765 22.222 58.403 59.673 1.00 0.00 WT2 H ATOM 27670 OH2 TIP3 766 64.852 9.054 -19.701 1.00 0.00 WT2 O ATOM 27671 H1 TIP3 766 64.498 8.270 -20.120 1.00 0.00 WT2 H ATOM 27672 H2 TIP3 766 65.736 8.804 -19.431 1.00 0.00 WT2 H ATOM 27673 OH2 TIP3 776 65.874 47.421 31.393 1.00 0.00 WT2 O ATOM 27674 H1 TIP3 776 66.225 46.834 30.723 1.00 0.00 WT2 H ATOM 27675 H2 TIP3 776 65.110 47.824 30.981 1.00 0.00 WT2 H ATOM 27676 OH2 TIP3 778 86.938 77.199 48.269 1.00 0.00 WT2 O ATOM 27677 H1 TIP3 778 86.404 77.807 47.757 1.00 0.00 WT2 H ATOM 27678 H2 TIP3 778 87.018 76.424 47.714 1.00 0.00 WT2 H ATOM 27679 OH2 TIP3 780 78.561 62.611 65.258 1.00 0.00 WT2 O ATOM 27680 H1 TIP3 780 78.204 61.723 65.298 1.00 0.00 WT2 H ATOM 27681 H2 TIP3 780 79.490 62.504 65.460 1.00 0.00 WT2 H ATOM 27682 OH2 TIP3 781 75.613 64.852 34.608 1.00 0.00 WT2 O ATOM 27683 H1 TIP3 781 76.166 64.773 35.385 1.00 0.00 WT2 H ATOM 27684 H2 TIP3 781 74.921 65.461 34.866 1.00 0.00 WT2 H ATOM 27685 OH2 TIP3 782 76.270 64.429 55.365 1.00 0.00 WT2 O ATOM 27686 H1 TIP3 782 76.144 63.845 54.618 1.00 0.00 WT2 H ATOM 27687 H2 TIP3 782 76.605 63.862 56.060 1.00 0.00 WT2 H ATOM 27688 OH2 TIP3 783 44.012 63.110 3.720 1.00 0.00 WT2 O ATOM 27689 H1 TIP3 783 43.266 63.038 4.315 1.00 0.00 WT2 H ATOM 27690 H2 TIP3 783 44.729 62.672 4.180 1.00 0.00 WT2 H ATOM 27691 OH2 TIP3 784 61.653 89.504 -9.848 1.00 0.00 WT2 O ATOM 27692 H1 TIP3 784 60.981 90.138 -10.101 1.00 0.00 WT2 H ATOM 27693 H2 TIP3 784 61.174 88.820 -9.381 1.00 0.00 WT2 H ATOM 27694 OH2 TIP3 785 66.173 51.446 60.631 1.00 0.00 WT2 O ATOM 27695 H1 TIP3 785 65.661 51.407 59.824 1.00 0.00 WT2 H ATOM 27696 H2 TIP3 785 65.931 52.282 61.029 1.00 0.00 WT2 H ATOM 27697 OH2 TIP3 801 21.153 26.511 46.759 1.00 0.00 WT2 O ATOM 27698 H1 TIP3 801 20.917 25.701 46.308 1.00 0.00 WT2 H ATOM 27699 H2 TIP3 801 21.466 26.226 47.618 1.00 0.00 WT2 H ATOM 27700 OH2 TIP3 802 86.893 44.896 67.079 1.00 0.00 WT2 O ATOM 27701 H1 TIP3 802 86.673 45.149 66.182 1.00 0.00 WT2 H ATOM 27702 H2 TIP3 802 86.647 43.973 67.135 1.00 0.00 WT2 H ATOM 27703 OH2 TIP3 803 24.170 58.076 11.043 1.00 0.00 WT2 O ATOM 27704 H1 TIP3 803 24.080 57.555 11.841 1.00 0.00 WT2 H ATOM 27705 H2 TIP3 803 25.026 57.830 10.691 1.00 0.00 WT2 H ATOM 27706 OH2 TIP3 804 35.539 25.458 -14.442 1.00 0.00 WT2 O ATOM 27707 H1 TIP3 804 35.267 26.348 -14.214 1.00 0.00 WT2 H ATOM 27708 H2 TIP3 804 35.278 25.356 -15.357 1.00 0.00 WT2 H ATOM 27709 OH2 TIP3 805 63.949 84.059 59.529 1.00 0.00 WT2 O ATOM 27710 H1 TIP3 805 63.288 83.567 59.043 1.00 0.00 WT2 H ATOM 27711 H2 TIP3 805 63.672 84.973 59.453 1.00 0.00 WT2 H ATOM 27712 OH2 TIP3 807 87.919 65.934 -18.354 1.00 0.00 WT2 O ATOM 27713 H1 TIP3 807 87.877 66.533 -17.609 1.00 0.00 WT2 H ATOM 27714 H2 TIP3 807 87.366 65.195 -18.101 1.00 0.00 WT2 H ATOM 27715 OH2 TIP3 809 59.661 30.218 -12.628 1.00 0.00 WT2 O ATOM 27716 H1 TIP3 809 59.130 30.945 -12.302 1.00 0.00 WT2 H ATOM 27717 H2 TIP3 809 59.366 29.460 -12.123 1.00 0.00 WT2 H ATOM 27718 OH2 TIP3 817 46.566 28.322 40.729 1.00 0.00 WT2 O ATOM 27719 H1 TIP3 817 46.330 28.482 41.643 1.00 0.00 WT2 H ATOM 27720 H2 TIP3 817 45.735 28.365 40.255 1.00 0.00 WT2 H ATOM 27721 OH2 TIP3 822 38.668 19.107 36.243 1.00 0.00 WT2 O ATOM 27722 H1 TIP3 822 39.288 18.721 35.626 1.00 0.00 WT2 H ATOM 27723 H2 TIP3 822 38.404 18.379 36.806 1.00 0.00 WT2 H ATOM 27724 OH2 TIP3 823 64.052 15.876 27.652 1.00 0.00 WT2 O ATOM 27725 H1 TIP3 823 64.206 16.324 28.484 1.00 0.00 WT2 H ATOM 27726 H2 TIP3 823 63.250 16.274 27.311 1.00 0.00 WT2 H ATOM 27727 OH2 TIP3 824 73.329 36.658 14.025 1.00 0.00 WT2 O ATOM 27728 H1 TIP3 824 72.775 35.981 14.414 1.00 0.00 WT2 H ATOM 27729 H2 TIP3 824 74.042 36.774 14.652 1.00 0.00 WT2 H ATOM 27730 OH2 TIP3 826 77.923 47.232 -6.150 1.00 0.00 WT2 O ATOM 27731 H1 TIP3 826 77.378 46.448 -6.078 1.00 0.00 WT2 H ATOM 27732 H2 TIP3 826 78.676 47.053 -5.588 1.00 0.00 WT2 H ATOM 27733 OH2 TIP3 843 80.396 28.055 7.306 1.00 0.00 WT2 O ATOM 27734 H1 TIP3 843 81.121 28.620 7.037 1.00 0.00 WT2 H ATOM 27735 H2 TIP3 843 80.712 27.619 8.097 1.00 0.00 WT2 H ATOM 27736 OH2 TIP3 845 42.968 12.698 60.292 1.00 0.00 WT2 O ATOM 27737 H1 TIP3 845 42.190 12.784 60.844 1.00 0.00 WT2 H ATOM 27738 H2 TIP3 845 42.725 12.044 59.637 1.00 0.00 WT2 H ATOM 27739 OH2 TIP3 846 58.703 78.158 35.317 1.00 0.00 WT2 O ATOM 27740 H1 TIP3 846 58.607 77.502 36.006 1.00 0.00 WT2 H ATOM 27741 H2 TIP3 846 59.253 77.734 34.657 1.00 0.00 WT2 H ATOM 27742 OH2 TIP3 847 50.505 67.407 27.755 1.00 0.00 WT2 O ATOM 27743 H1 TIP3 847 50.603 66.473 27.938 1.00 0.00 WT2 H ATOM 27744 H2 TIP3 847 49.806 67.451 27.101 1.00 0.00 WT2 H ATOM 27745 OH2 TIP3 848 28.249 8.472 16.378 1.00 0.00 WT2 O ATOM 27746 H1 TIP3 848 27.468 8.979 16.158 1.00 0.00 WT2 H ATOM 27747 H2 TIP3 848 28.130 8.235 17.298 1.00 0.00 WT2 H ATOM 27748 OH2 TIP3 849 78.647 84.922 24.783 1.00 0.00 WT2 O ATOM 27749 H1 TIP3 849 79.054 84.235 25.311 1.00 0.00 WT2 H ATOM 27750 H2 TIP3 849 77.908 84.490 24.354 1.00 0.00 WT2 H ATOM 27751 OH2 TIP3 862 82.148 55.511 8.037 1.00 0.00 WT2 O ATOM 27752 H1 TIP3 862 82.295 54.972 7.260 1.00 0.00 WT2 H ATOM 27753 H2 TIP3 862 81.520 55.012 8.561 1.00 0.00 WT2 H ATOM 27754 OH2 TIP3 865 42.795 40.185 37.807 1.00 0.00 WT2 O ATOM 27755 H1 TIP3 865 42.176 40.222 37.077 1.00 0.00 WT2 H ATOM 27756 H2 TIP3 865 43.600 40.566 37.458 1.00 0.00 WT2 H ATOM 27757 OH2 TIP3 866 27.037 89.812 9.928 1.00 0.00 WT2 O ATOM 27758 H1 TIP3 866 26.308 90.425 10.022 1.00 0.00 WT2 H ATOM 27759 H2 TIP3 866 27.625 90.232 9.299 1.00 0.00 WT2 H ATOM 27760 OH2 TIP3 867 31.069 78.953 59.867 1.00 0.00 WT2 O ATOM 27761 H1 TIP3 867 31.813 78.883 59.268 1.00 0.00 WT2 H ATOM 27762 H2 TIP3 867 31.341 78.463 60.644 1.00 0.00 WT2 H ATOM 27763 OH2 TIP3 883 86.459 54.423 -1.047 1.00 0.00 WT2 O ATOM 27764 H1 TIP3 883 86.957 55.233 -1.165 1.00 0.00 WT2 H ATOM 27765 H2 TIP3 883 86.735 54.095 -0.191 1.00 0.00 WT2 H ATOM 27766 OH2 TIP3 885 65.911 33.276 62.527 1.00 0.00 WT2 O ATOM 27767 H1 TIP3 885 65.421 33.663 61.801 1.00 0.00 WT2 H ATOM 27768 H2 TIP3 885 66.803 33.604 62.415 1.00 0.00 WT2 H ATOM 27769 OH2 TIP3 887 39.804 4.622 33.456 1.00 0.00 WT2 O ATOM 27770 H1 TIP3 887 39.923 4.342 32.549 1.00 0.00 WT2 H ATOM 27771 H2 TIP3 887 40.022 3.849 33.977 1.00 0.00 WT2 H ATOM 27772 OH2 TIP3 888 35.819 3.812 7.216 1.00 0.00 WT2 O ATOM 27773 H1 TIP3 888 36.520 3.337 6.770 1.00 0.00 WT2 H ATOM 27774 H2 TIP3 888 35.894 3.546 8.133 1.00 0.00 WT2 H ATOM 27775 OH2 TIP3 891 32.373 50.122 60.472 1.00 0.00 WT2 O ATOM 27776 H1 TIP3 891 32.941 49.865 61.200 1.00 0.00 WT2 H ATOM 27777 H2 TIP3 891 31.486 49.943 60.785 1.00 0.00 WT2 H ATOM 27778 OH2 TIP3 905 25.443 41.591 51.687 1.00 0.00 WT2 O ATOM 27779 H1 TIP3 905 25.477 41.902 52.591 1.00 0.00 WT2 H ATOM 27780 H2 TIP3 905 25.006 40.742 51.741 1.00 0.00 WT2 H ATOM 27781 OH2 TIP3 906 36.897 37.687 4.773 1.00 0.00 WT2 O ATOM 27782 H1 TIP3 906 36.952 37.839 5.716 1.00 0.00 WT2 H ATOM 27783 H2 TIP3 906 37.206 38.504 4.380 1.00 0.00 WT2 H ATOM 27784 OH2 TIP3 907 75.663 58.767 -2.851 1.00 0.00 WT2 O ATOM 27785 H1 TIP3 907 74.798 59.052 -3.144 1.00 0.00 WT2 H ATOM 27786 H2 TIP3 907 76.104 58.478 -3.650 1.00 0.00 WT2 H ATOM 27787 OH2 TIP3 908 58.218 22.098 58.798 1.00 0.00 WT2 O ATOM 27788 H1 TIP3 908 58.013 22.462 59.660 1.00 0.00 WT2 H ATOM 27789 H2 TIP3 908 58.473 22.856 58.272 1.00 0.00 WT2 H ATOM 27790 OH2 TIP3 909 40.736 80.937 -10.328 1.00 0.00 WT2 O ATOM 27791 H1 TIP3 909 40.103 80.235 -10.481 1.00 0.00 WT2 H ATOM 27792 H2 TIP3 909 41.389 80.549 -9.746 1.00 0.00 WT2 H ATOM 27793 OH2 TIP3 910 60.006 20.458 11.675 1.00 0.00 WT2 O ATOM 27794 H1 TIP3 910 59.294 20.531 12.311 1.00 0.00 WT2 H ATOM 27795 H2 TIP3 910 60.654 19.899 12.104 1.00 0.00 WT2 H ATOM 27796 OH2 TIP3 912 46.816 9.278 65.431 1.00 0.00 WT2 O ATOM 27797 H1 TIP3 912 46.257 9.175 66.201 1.00 0.00 WT2 H ATOM 27798 H2 TIP3 912 47.386 8.510 65.444 1.00 0.00 WT2 H ATOM 27799 OH2 TIP3 913 81.470 84.346 42.954 1.00 0.00 WT2 O ATOM 27800 H1 TIP3 913 82.032 85.075 42.693 1.00 0.00 WT2 H ATOM 27801 H2 TIP3 913 81.571 83.702 42.252 1.00 0.00 WT2 H ATOM 27802 OH2 TIP3 924 87.431 24.329 48.226 1.00 0.00 WT2 O ATOM 27803 H1 TIP3 924 87.827 23.532 47.872 1.00 0.00 WT2 H ATOM 27804 H2 TIP3 924 87.485 24.223 49.175 1.00 0.00 WT2 H ATOM 27805 OH2 TIP3 925 23.710 28.612 8.409 1.00 0.00 WT2 O ATOM 27806 H1 TIP3 925 23.477 27.820 8.894 1.00 0.00 WT2 H ATOM 27807 H2 TIP3 925 23.069 29.264 8.692 1.00 0.00 WT2 H ATOM 27808 OH2 TIP3 926 29.816 66.204 10.697 1.00 0.00 WT2 O ATOM 27809 H1 TIP3 926 30.525 66.208 11.339 1.00 0.00 WT2 H ATOM 27810 H2 TIP3 926 29.474 65.310 10.724 1.00 0.00 WT2 H ATOM 27811 OH2 TIP3 927 85.394 31.636 36.297 1.00 0.00 WT2 O ATOM 27812 H1 TIP3 927 85.294 30.989 35.599 1.00 0.00 WT2 H ATOM 27813 H2 TIP3 927 85.366 31.124 37.105 1.00 0.00 WT2 H ATOM 27814 OH2 TIP3 928 71.327 56.120 13.812 1.00 0.00 WT2 O ATOM 27815 H1 TIP3 928 70.928 56.619 14.524 1.00 0.00 WT2 H ATOM 27816 H2 TIP3 928 72.260 56.330 13.865 1.00 0.00 WT2 H ATOM 27817 OH2 TIP3 929 25.590 10.028 28.380 1.00 0.00 WT2 O ATOM 27818 H1 TIP3 929 24.948 9.852 27.692 1.00 0.00 WT2 H ATOM 27819 H2 TIP3 929 26.081 10.785 28.063 1.00 0.00 WT2 H ATOM 27820 OH2 TIP3 930 79.547 37.564 35.204 1.00 0.00 WT2 O ATOM 27821 H1 TIP3 930 79.357 36.676 34.902 1.00 0.00 WT2 H ATOM 27822 H2 TIP3 930 80.460 37.529 35.490 1.00 0.00 WT2 H ATOM 27823 OH2 TIP3 932 55.691 43.695 32.099 1.00 0.00 WT2 O ATOM 27824 H1 TIP3 932 55.727 43.044 31.399 1.00 0.00 WT2 H ATOM 27825 H2 TIP3 932 55.673 44.537 31.643 1.00 0.00 WT2 H ATOM 27826 OH2 TIP3 942 62.011 69.132 -19.683 1.00 0.00 WT2 O ATOM 27827 H1 TIP3 942 62.542 68.413 -20.026 1.00 0.00 WT2 H ATOM 27828 H2 TIP3 942 61.991 68.984 -18.737 1.00 0.00 WT2 H ATOM 27829 OH2 TIP3 947 68.305 63.034 -16.906 1.00 0.00 WT2 O ATOM 27830 H1 TIP3 947 68.387 62.250 -17.449 1.00 0.00 WT2 H ATOM 27831 H2 TIP3 947 67.681 62.789 -16.223 1.00 0.00 WT2 H ATOM 27832 OH2 TIP3 948 25.294 1.872 39.441 1.00 0.00 WT2 O ATOM 27833 H1 TIP3 948 26.187 1.568 39.604 1.00 0.00 WT2 H ATOM 27834 H2 TIP3 948 25.339 2.821 39.560 1.00 0.00 WT2 H ATOM 27835 OH2 TIP3 950 42.033 26.245 56.634 1.00 0.00 WT2 O ATOM 27836 H1 TIP3 950 41.486 25.651 57.149 1.00 0.00 WT2 H ATOM 27837 H2 TIP3 950 42.257 26.951 57.240 1.00 0.00 WT2 H ATOM 27838 OH2 TIP3 951 72.444 68.568 57.570 1.00 0.00 WT2 O ATOM 27839 H1 TIP3 951 72.850 68.583 56.703 1.00 0.00 WT2 H ATOM 27840 H2 TIP3 951 72.159 69.470 57.717 1.00 0.00 WT2 H ATOM 27841 OH2 TIP3 952 82.611 54.858 61.454 1.00 0.00 WT2 O ATOM 27842 H1 TIP3 952 83.287 55.375 61.016 1.00 0.00 WT2 H ATOM 27843 H2 TIP3 952 81.841 55.426 61.461 1.00 0.00 WT2 H ATOM 27844 OH2 TIP3 953 81.209 5.045 56.541 1.00 0.00 WT2 O ATOM 27845 H1 TIP3 953 80.815 5.302 55.707 1.00 0.00 WT2 H ATOM 27846 H2 TIP3 953 81.477 4.135 56.408 1.00 0.00 WT2 H ATOM 27847 OH2 TIP3 956 58.150 44.316 56.608 1.00 0.00 WT2 O ATOM 27848 H1 TIP3 956 58.281 44.158 57.543 1.00 0.00 WT2 H ATOM 27849 H2 TIP3 956 57.205 44.229 56.480 1.00 0.00 WT2 H ATOM 27850 OH2 TIP3 964 24.863 40.334 58.523 1.00 0.00 WT2 O ATOM 27851 H1 TIP3 964 24.338 41.132 58.578 1.00 0.00 WT2 H ATOM 27852 H2 TIP3 964 25.057 40.110 59.433 1.00 0.00 WT2 H ATOM 27853 OH2 TIP3 968 24.764 79.690 3.283 1.00 0.00 WT2 O ATOM 27854 H1 TIP3 968 23.820 79.821 3.364 1.00 0.00 WT2 H ATOM 27855 H2 TIP3 968 24.877 78.739 3.298 1.00 0.00 WT2 H ATOM 27856 OH2 TIP3 969 35.562 87.302 -8.646 1.00 0.00 WT2 O ATOM 27857 H1 TIP3 969 36.182 86.610 -8.877 1.00 0.00 WT2 H ATOM 27858 H2 TIP3 969 36.043 88.115 -8.801 1.00 0.00 WT2 H ATOM 27859 OH2 TIP3 970 33.860 14.411 40.005 1.00 0.00 WT2 O ATOM 27860 H1 TIP3 970 32.940 14.271 40.230 1.00 0.00 WT2 H ATOM 27861 H2 TIP3 970 33.889 14.330 39.052 1.00 0.00 WT2 H ATOM 27862 OH2 TIP3 972 90.367 72.005 -12.803 1.00 0.00 WT2 O ATOM 27863 H1 TIP3 972 91.014 71.947 -12.100 1.00 0.00 WT2 H ATOM 27864 H2 TIP3 972 89.597 71.552 -12.459 1.00 0.00 WT2 H ATOM 27865 OH2 TIP3 974 55.207 37.500 56.866 1.00 0.00 WT2 O ATOM 27866 H1 TIP3 974 54.820 38.201 56.342 1.00 0.00 WT2 H ATOM 27867 H2 TIP3 974 55.529 37.939 57.653 1.00 0.00 WT2 H ATOM 27868 OH2 TIP3 985 68.468 32.596 27.305 1.00 0.00 WT2 O ATOM 27869 H1 TIP3 985 68.311 33.158 26.546 1.00 0.00 WT2 H ATOM 27870 H2 TIP3 985 68.541 31.714 26.939 1.00 0.00 WT2 H ATOM 27871 OH2 TIP3 987 64.924 16.242 52.814 1.00 0.00 WT2 O ATOM 27872 H1 TIP3 987 64.323 16.623 52.174 1.00 0.00 WT2 H ATOM 27873 H2 TIP3 987 64.373 15.674 53.353 1.00 0.00 WT2 H ATOM 27874 OH2 TIP3 988 69.654 25.520 9.613 1.00 0.00 WT2 O ATOM 27875 H1 TIP3 988 70.066 26.027 10.313 1.00 0.00 WT2 H ATOM 27876 H2 TIP3 988 69.477 24.666 10.007 1.00 0.00 WT2 H ATOM 27877 OH2 TIP3 989 32.999 77.342 50.861 1.00 0.00 WT2 O ATOM 27878 H1 TIP3 989 32.316 77.307 50.190 1.00 0.00 WT2 H ATOM 27879 H2 TIP3 989 33.204 76.425 51.042 1.00 0.00 WT2 H ATOM 27880 OH2 TIP3 990 53.493 87.778 9.441 1.00 0.00 WT2 O ATOM 27881 H1 TIP3 990 52.727 88.352 9.464 1.00 0.00 WT2 H ATOM 27882 H2 TIP3 990 53.130 86.896 9.362 1.00 0.00 WT2 H ATOM 27883 OH2 TIP3 991 59.741 76.841 61.474 1.00 0.00 WT2 O ATOM 27884 H1 TIP3 991 60.574 77.121 61.854 1.00 0.00 WT2 H ATOM 27885 H2 TIP3 991 59.762 75.885 61.527 1.00 0.00 WT2 H ATOM 27886 OH2 TIP3 992 27.231 6.288 -8.789 1.00 0.00 WT2 O ATOM 27887 H1 TIP3 992 26.619 6.507 -8.087 1.00 0.00 WT2 H ATOM 27888 H2 TIP3 992 27.095 6.970 -9.447 1.00 0.00 WT2 H ATOM 27889 OH2 TIP3 995 55.266 92.754 60.666 1.00 0.00 WT2 O ATOM 27890 H1 TIP3 995 55.633 92.218 59.963 1.00 0.00 WT2 H ATOM 27891 H2 TIP3 995 55.785 92.526 61.438 1.00 0.00 WT2 H ATOM 27892 OH2 TIP3 1007 49.381 82.922 -4.068 1.00 0.00 WT2 O ATOM 27893 H1 TIP3 1007 50.030 82.265 -4.322 1.00 0.00 WT2 H ATOM 27894 H2 TIP3 1007 49.194 82.731 -3.149 1.00 0.00 WT2 H ATOM 27895 OH2 TIP3 1010 89.942 77.351 -18.887 1.00 0.00 WT2 O ATOM 27896 H1 TIP3 1010 89.672 77.657 -18.021 1.00 0.00 WT2 H ATOM 27897 H2 TIP3 1010 89.353 77.797 -19.494 1.00 0.00 WT2 H ATOM 27898 OH2 TIP3 1011 25.350 22.908 -3.157 1.00 0.00 WT2 O ATOM 27899 H1 TIP3 1011 25.494 23.555 -2.467 1.00 0.00 WT2 H ATOM 27900 H2 TIP3 1011 25.357 22.066 -2.702 1.00 0.00 WT2 H ATOM 27901 OH2 TIP3 1013 29.775 78.021 -7.870 1.00 0.00 WT2 O ATOM 27902 H1 TIP3 1013 29.138 78.735 -7.864 1.00 0.00 WT2 H ATOM 27903 H2 TIP3 1013 29.446 77.412 -8.531 1.00 0.00 WT2 H ATOM 27904 OH2 TIP3 1014 20.643 13.175 -0.353 1.00 0.00 WT2 O ATOM 27905 H1 TIP3 1014 21.013 12.494 0.209 1.00 0.00 WT2 H ATOM 27906 H2 TIP3 1014 19.906 12.750 -0.791 1.00 0.00 WT2 H ATOM 27907 OH2 TIP3 1017 21.826 15.796 38.252 1.00 0.00 WT2 O ATOM 27908 H1 TIP3 1017 21.029 16.319 38.174 1.00 0.00 WT2 H ATOM 27909 H2 TIP3 1017 21.574 14.926 37.943 1.00 0.00 WT2 H ATOM 27910 OH2 TIP3 1018 29.008 33.807 64.509 1.00 0.00 WT2 O ATOM 27911 H1 TIP3 1018 28.999 33.251 65.288 1.00 0.00 WT2 H ATOM 27912 H2 TIP3 1018 28.215 34.338 64.584 1.00 0.00 WT2 H ATOM 27913 OH2 TIP3 1027 37.962 23.488 34.962 1.00 0.00 WT2 O ATOM 27914 H1 TIP3 1027 37.605 24.335 34.696 1.00 0.00 WT2 H ATOM 27915 H2 TIP3 1027 37.274 22.858 34.744 1.00 0.00 WT2 H ATOM 27916 OH2 TIP3 1032 54.773 4.826 -12.318 1.00 0.00 WT2 O ATOM 27917 H1 TIP3 1032 55.226 3.984 -12.277 1.00 0.00 WT2 H ATOM 27918 H2 TIP3 1032 55.196 5.360 -11.645 1.00 0.00 WT2 H ATOM 27919 OH2 TIP3 1033 28.522 37.632 25.906 1.00 0.00 WT2 O ATOM 27920 H1 TIP3 1033 29.236 37.818 25.297 1.00 0.00 WT2 H ATOM 27921 H2 TIP3 1033 28.111 36.840 25.561 1.00 0.00 WT2 H ATOM 27922 OH2 TIP3 1040 23.536 2.249 28.775 1.00 0.00 WT2 O ATOM 27923 H1 TIP3 1040 22.679 1.905 29.026 1.00 0.00 WT2 H ATOM 27924 H2 TIP3 1040 23.593 3.096 29.217 1.00 0.00 WT2 H ATOM 27925 OH2 TIP3 1051 38.889 26.781 6.038 1.00 0.00 WT2 O ATOM 27926 H1 TIP3 1051 37.964 26.992 5.913 1.00 0.00 WT2 H ATOM 27927 H2 TIP3 1051 39.246 27.533 6.511 1.00 0.00 WT2 H ATOM 27928 OH2 TIP3 1053 20.205 94.903 62.517 1.00 0.00 WT2 O ATOM 27929 H1 TIP3 1053 20.954 94.756 61.940 1.00 0.00 WT2 H ATOM 27930 H2 TIP3 1053 19.543 95.304 61.953 1.00 0.00 WT2 H ATOM 27931 OH2 TIP3 1054 35.978 23.948 8.975 1.00 0.00 WT2 O ATOM 27932 H1 TIP3 1054 36.232 23.952 8.052 1.00 0.00 WT2 H ATOM 27933 H2 TIP3 1054 36.686 23.478 9.417 1.00 0.00 WT2 H ATOM 27934 OH2 TIP3 1055 57.103 59.966 51.746 1.00 0.00 WT2 O ATOM 27935 H1 TIP3 1055 57.675 59.608 51.066 1.00 0.00 WT2 H ATOM 27936 H2 TIP3 1055 56.529 59.238 51.984 1.00 0.00 WT2 H ATOM 27937 OH2 TIP3 1058 56.290 88.249 26.515 1.00 0.00 WT2 O ATOM 27938 H1 TIP3 1058 56.573 87.419 26.899 1.00 0.00 WT2 H ATOM 27939 H2 TIP3 1058 55.419 88.066 26.163 1.00 0.00 WT2 H ATOM 27940 OH2 TIP3 1059 38.271 82.403 50.594 1.00 0.00 WT2 O ATOM 27941 H1 TIP3 1059 38.696 82.808 51.350 1.00 0.00 WT2 H ATOM 27942 H2 TIP3 1059 37.458 82.895 50.484 1.00 0.00 WT2 H ATOM 27943 OH2 TIP3 1072 79.834 34.819 28.210 1.00 0.00 WT2 O ATOM 27944 H1 TIP3 1072 79.928 35.391 28.971 1.00 0.00 WT2 H ATOM 27945 H2 TIP3 1072 79.538 35.399 27.509 1.00 0.00 WT2 H ATOM 27946 OH2 TIP3 1075 72.138 65.726 61.633 1.00 0.00 WT2 O ATOM 27947 H1 TIP3 1075 71.611 65.016 61.999 1.00 0.00 WT2 H ATOM 27948 H2 TIP3 1075 72.724 65.982 62.346 1.00 0.00 WT2 H ATOM 27949 OH2 TIP3 1076 70.859 63.248 37.704 1.00 0.00 WT2 O ATOM 27950 H1 TIP3 1076 70.251 63.240 36.964 1.00 0.00 WT2 H ATOM 27951 H2 TIP3 1076 71.723 63.141 37.307 1.00 0.00 WT2 H ATOM 27952 OH2 TIP3 1077 26.260 26.811 -2.526 1.00 0.00 WT2 O ATOM 27953 H1 TIP3 1077 25.994 27.561 -3.057 1.00 0.00 WT2 H ATOM 27954 H2 TIP3 1077 27.144 26.603 -2.829 1.00 0.00 WT2 H ATOM 27955 OH2 TIP3 1092 66.266 96.335 35.150 1.00 0.00 WT2 O ATOM 27956 H1 TIP3 1092 66.854 95.597 34.990 1.00 0.00 WT2 H ATOM 27957 H2 TIP3 1092 66.849 97.068 35.347 1.00 0.00 WT2 H ATOM 27958 OH2 TIP3 1094 59.333 22.198 55.804 1.00 0.00 WT2 O ATOM 27959 H1 TIP3 1094 58.795 22.988 55.758 1.00 0.00 WT2 H ATOM 27960 H2 TIP3 1094 58.788 21.514 55.414 1.00 0.00 WT2 H ATOM 27961 OH2 TIP3 1096 63.827 58.832 39.595 1.00 0.00 WT2 O ATOM 27962 H1 TIP3 1096 63.144 58.502 40.178 1.00 0.00 WT2 H ATOM 27963 H2 TIP3 1096 63.350 59.270 38.890 1.00 0.00 WT2 H ATOM 27964 OH2 TIP3 1101 29.360 39.652 59.621 1.00 0.00 WT2 O ATOM 27965 H1 TIP3 1101 29.717 40.126 58.870 1.00 0.00 WT2 H ATOM 27966 H2 TIP3 1101 30.118 39.476 60.177 1.00 0.00 WT2 H ATOM 27967 OH2 TIP3 1112 57.026 49.077 -16.020 1.00 0.00 WT2 O ATOM 27968 H1 TIP3 1112 56.901 48.588 -15.206 1.00 0.00 WT2 H ATOM 27969 H2 TIP3 1112 57.187 49.977 -15.736 1.00 0.00 WT2 H ATOM 27970 OH2 TIP3 1113 31.435 93.524 58.763 1.00 0.00 WT2 O ATOM 27971 H1 TIP3 1113 30.562 93.559 59.156 1.00 0.00 WT2 H ATOM 27972 H2 TIP3 1113 31.397 92.781 58.160 1.00 0.00 WT2 H ATOM 27973 OH2 TIP3 1115 79.519 17.179 49.675 1.00 0.00 WT2 O ATOM 27974 H1 TIP3 1115 79.051 17.133 48.841 1.00 0.00 WT2 H ATOM 27975 H2 TIP3 1115 79.964 16.335 49.747 1.00 0.00 WT2 H ATOM 27976 OH2 TIP3 1117 48.566 7.430 56.129 1.00 0.00 WT2 O ATOM 27977 H1 TIP3 1117 48.178 8.286 55.944 1.00 0.00 WT2 H ATOM 27978 H2 TIP3 1117 47.820 6.868 56.336 1.00 0.00 WT2 H ATOM 27979 OH2 TIP3 1119 42.156 9.174 0.657 1.00 0.00 WT2 O ATOM 27980 H1 TIP3 1119 42.619 9.976 0.898 1.00 0.00 WT2 H ATOM 27981 H2 TIP3 1119 41.841 8.820 1.488 1.00 0.00 WT2 H ATOM 27982 OH2 TIP3 1122 55.356 34.602 40.707 1.00 0.00 WT2 O ATOM 27983 H1 TIP3 1122 54.738 33.907 40.934 1.00 0.00 WT2 H ATOM 27984 H2 TIP3 1122 54.982 35.009 39.925 1.00 0.00 WT2 H ATOM 27985 OH2 TIP3 1134 80.321 74.174 65.767 1.00 0.00 WT2 O ATOM 27986 H1 TIP3 1134 80.675 74.736 65.078 1.00 0.00 WT2 H ATOM 27987 H2 TIP3 1134 80.243 73.312 65.357 1.00 0.00 WT2 H ATOM 27988 OH2 TIP3 1135 35.457 63.924 1.438 1.00 0.00 WT2 O ATOM 27989 H1 TIP3 1135 35.038 64.782 1.367 1.00 0.00 WT2 H ATOM 27990 H2 TIP3 1135 36.010 63.991 2.216 1.00 0.00 WT2 H ATOM 27991 OH2 TIP3 1137 59.206 41.643 57.233 1.00 0.00 WT2 O ATOM 27992 H1 TIP3 1137 58.321 41.457 57.545 1.00 0.00 WT2 H ATOM 27993 H2 TIP3 1137 59.558 42.266 57.868 1.00 0.00 WT2 H ATOM 27994 OH2 TIP3 1139 24.153 1.366 -6.795 1.00 0.00 WT2 O ATOM 27995 H1 TIP3 1139 24.981 1.667 -6.420 1.00 0.00 WT2 H ATOM 27996 H2 TIP3 1139 24.007 0.508 -6.397 1.00 0.00 WT2 H ATOM 27997 OH2 TIP3 1140 85.290 44.808 42.669 1.00 0.00 WT2 O ATOM 27998 H1 TIP3 1140 86.238 44.687 42.720 1.00 0.00 WT2 H ATOM 27999 H2 TIP3 1140 84.957 44.436 43.486 1.00 0.00 WT2 H ATOM 28000 OH2 TIP3 1155 68.956 59.874 -16.549 1.00 0.00 WT2 O ATOM 28001 H1 TIP3 1155 68.710 58.966 -16.373 1.00 0.00 WT2 H ATOM 28002 H2 TIP3 1155 68.406 60.133 -17.288 1.00 0.00 WT2 H ATOM 28003 OH2 TIP3 1157 34.486 42.903 62.422 1.00 0.00 WT2 O ATOM 28004 H1 TIP3 1157 34.521 42.763 61.475 1.00 0.00 WT2 H ATOM 28005 H2 TIP3 1157 33.589 42.675 62.665 1.00 0.00 WT2 H ATOM 28006 OH2 TIP3 1158 43.037 45.539 31.605 1.00 0.00 WT2 O ATOM 28007 H1 TIP3 1158 43.244 45.066 30.799 1.00 0.00 WT2 H ATOM 28008 H2 TIP3 1158 42.444 46.237 31.328 1.00 0.00 WT2 H ATOM 28009 OH2 TIP3 1159 43.147 48.180 53.093 1.00 0.00 WT2 O ATOM 28010 H1 TIP3 1159 43.738 47.708 53.680 1.00 0.00 WT2 H ATOM 28011 H2 TIP3 1159 42.372 48.359 53.626 1.00 0.00 WT2 H ATOM 28012 OH2 TIP3 1160 80.081 8.928 4.928 1.00 0.00 WT2 O ATOM 28013 H1 TIP3 1160 79.851 9.419 5.717 1.00 0.00 WT2 H ATOM 28014 H2 TIP3 1160 81.010 9.116 4.791 1.00 0.00 WT2 H ATOM 28015 OH2 TIP3 1162 65.566 42.185 -0.994 1.00 0.00 WT2 O ATOM 28016 H1 TIP3 1162 65.850 42.561 -1.827 1.00 0.00 WT2 H ATOM 28017 H2 TIP3 1162 64.617 42.308 -0.986 1.00 0.00 WT2 H ATOM 28018 OH2 TIP3 1163 86.469 46.126 46.205 1.00 0.00 WT2 O ATOM 28019 H1 TIP3 1163 85.971 45.663 45.531 1.00 0.00 WT2 H ATOM 28020 H2 TIP3 1163 86.643 45.462 46.872 1.00 0.00 WT2 H ATOM 28021 OH2 TIP3 1177 79.724 41.542 66.539 1.00 0.00 WT2 O ATOM 28022 H1 TIP3 1177 79.167 41.086 67.171 1.00 0.00 WT2 H ATOM 28023 H2 TIP3 1177 79.404 41.251 65.685 1.00 0.00 WT2 H ATOM 28024 OH2 TIP3 1178 45.414 14.390 64.914 1.00 0.00 WT2 O ATOM 28025 H1 TIP3 1178 45.153 13.699 64.306 1.00 0.00 WT2 H ATOM 28026 H2 TIP3 1178 44.650 14.963 64.969 1.00 0.00 WT2 H ATOM 28027 OH2 TIP3 1179 37.296 18.586 61.976 1.00 0.00 WT2 O ATOM 28028 H1 TIP3 1179 37.367 17.631 61.977 1.00 0.00 WT2 H ATOM 28029 H2 TIP3 1179 36.376 18.758 61.776 1.00 0.00 WT2 H ATOM 28030 OH2 TIP3 1180 88.142 19.694 63.391 1.00 0.00 WT2 O ATOM 28031 H1 TIP3 1180 88.630 20.486 63.162 1.00 0.00 WT2 H ATOM 28032 H2 TIP3 1180 87.915 19.301 62.549 1.00 0.00 WT2 H ATOM 28033 OH2 TIP3 1181 29.565 39.079 64.120 1.00 0.00 WT2 O ATOM 28034 H1 TIP3 1181 30.104 38.313 64.320 1.00 0.00 WT2 H ATOM 28035 H2 TIP3 1181 30.126 39.827 64.326 1.00 0.00 WT2 H ATOM 28036 OH2 TIP3 1183 33.667 70.302 23.412 1.00 0.00 WT2 O ATOM 28037 H1 TIP3 1183 33.301 69.421 23.329 1.00 0.00 WT2 H ATOM 28038 H2 TIP3 1183 34.582 70.208 23.148 1.00 0.00 WT2 H ATOM 28039 OH2 TIP3 1185 37.824 86.368 66.919 1.00 0.00 WT2 O ATOM 28040 H1 TIP3 1185 38.333 85.602 67.185 1.00 0.00 WT2 H ATOM 28041 H2 TIP3 1185 37.474 86.719 67.737 1.00 0.00 WT2 H ATOM 28042 OH2 TIP3 1197 70.467 12.263 60.252 1.00 0.00 WT2 O ATOM 28043 H1 TIP3 1197 69.916 12.007 59.512 1.00 0.00 WT2 H ATOM 28044 H2 TIP3 1197 70.689 11.437 60.683 1.00 0.00 WT2 H ATOM 28045 OH2 TIP3 1200 85.954 60.913 -15.821 1.00 0.00 WT2 O ATOM 28046 H1 TIP3 1200 86.559 61.128 -16.531 1.00 0.00 WT2 H ATOM 28047 H2 TIP3 1200 85.353 60.273 -16.203 1.00 0.00 WT2 H ATOM 28048 OH2 TIP3 1201 77.911 51.113 26.894 1.00 0.00 WT2 O ATOM 28049 H1 TIP3 1201 77.009 51.433 26.898 1.00 0.00 WT2 H ATOM 28050 H2 TIP3 1201 77.861 50.262 26.457 1.00 0.00 WT2 H ATOM 28051 OH2 TIP3 1202 85.366 17.553 -18.675 1.00 0.00 WT2 O ATOM 28052 H1 TIP3 1202 85.950 17.375 -17.937 1.00 0.00 WT2 H ATOM 28053 H2 TIP3 1202 85.898 17.374 -19.450 1.00 0.00 WT2 H ATOM 28054 OH2 TIP3 1203 44.888 34.648 -4.006 1.00 0.00 WT2 O ATOM 28055 H1 TIP3 1203 44.050 34.348 -3.654 1.00 0.00 WT2 H ATOM 28056 H2 TIP3 1203 45.301 35.113 -3.278 1.00 0.00 WT2 H ATOM 28057 OH2 TIP3 1205 68.964 31.311 -3.676 1.00 0.00 WT2 O ATOM 28058 H1 TIP3 1205 68.844 31.944 -4.385 1.00 0.00 WT2 H ATOM 28059 H2 TIP3 1205 68.199 31.433 -3.114 1.00 0.00 WT2 H ATOM 28060 OH2 TIP3 1208 66.938 72.531 -15.485 1.00 0.00 WT2 O ATOM 28061 H1 TIP3 1208 66.172 72.245 -15.982 1.00 0.00 WT2 H ATOM 28062 H2 TIP3 1208 66.845 73.482 -15.425 1.00 0.00 WT2 H ATOM 28063 OH2 TIP3 1219 58.280 7.823 66.718 1.00 0.00 WT2 O ATOM 28064 H1 TIP3 1219 58.692 8.481 67.278 1.00 0.00 WT2 H ATOM 28065 H2 TIP3 1219 58.981 7.528 66.138 1.00 0.00 WT2 H ATOM 28066 OH2 TIP3 1220 38.472 53.195 30.145 1.00 0.00 WT2 O ATOM 28067 H1 TIP3 1220 39.362 53.350 30.460 1.00 0.00 WT2 H ATOM 28068 H2 TIP3 1220 38.472 53.533 29.250 1.00 0.00 WT2 H ATOM 28069 OH2 TIP3 1222 33.697 54.594 24.233 1.00 0.00 WT2 O ATOM 28070 H1 TIP3 1222 34.590 54.498 24.565 1.00 0.00 WT2 H ATOM 28071 H2 TIP3 1222 33.722 55.390 23.702 1.00 0.00 WT2 H ATOM 28072 OH2 TIP3 1223 57.467 17.206 -15.581 1.00 0.00 WT2 O ATOM 28073 H1 TIP3 1223 57.047 17.816 -16.187 1.00 0.00 WT2 H ATOM 28074 H2 TIP3 1223 57.947 17.766 -14.971 1.00 0.00 WT2 H ATOM 28075 OH2 TIP3 1224 67.385 11.835 19.232 1.00 0.00 WT2 O ATOM 28076 H1 TIP3 1224 66.940 12.409 19.856 1.00 0.00 WT2 H ATOM 28077 H2 TIP3 1224 67.663 11.083 19.755 1.00 0.00 WT2 H ATOM 28078 OH2 TIP3 1225 23.256 71.164 59.153 1.00 0.00 WT2 O ATOM 28079 H1 TIP3 1225 23.283 71.733 59.922 1.00 0.00 WT2 H ATOM 28080 H2 TIP3 1225 23.333 71.762 58.409 1.00 0.00 WT2 H ATOM 28081 OH2 TIP3 1226 52.837 6.635 16.148 1.00 0.00 WT2 O ATOM 28082 H1 TIP3 1226 53.100 7.283 15.494 1.00 0.00 WT2 H ATOM 28083 H2 TIP3 1226 53.119 7.009 16.983 1.00 0.00 WT2 H ATOM 28084 OH2 TIP3 1227 69.528 23.617 59.568 1.00 0.00 WT2 O ATOM 28085 H1 TIP3 1227 70.237 23.886 58.984 1.00 0.00 WT2 H ATOM 28086 H2 TIP3 1227 69.502 24.297 60.242 1.00 0.00 WT2 H ATOM 28087 OH2 TIP3 1240 48.885 29.742 17.210 1.00 0.00 WT2 O ATOM 28088 H1 TIP3 1240 48.767 28.851 16.881 1.00 0.00 WT2 H ATOM 28089 H2 TIP3 1240 48.299 29.799 17.965 1.00 0.00 WT2 H ATOM 28090 OH2 TIP3 1241 43.130 96.245 49.799 1.00 0.00 WT2 O ATOM 28091 H1 TIP3 1241 42.339 96.061 49.292 1.00 0.00 WT2 H ATOM 28092 H2 TIP3 1241 43.785 96.483 49.143 1.00 0.00 WT2 H ATOM 28093 OH2 TIP3 1242 78.159 44.210 -7.032 1.00 0.00 WT2 O ATOM 28094 H1 TIP3 1242 77.807 45.004 -7.435 1.00 0.00 WT2 H ATOM 28095 H2 TIP3 1242 77.935 43.511 -7.646 1.00 0.00 WT2 H ATOM 28096 OH2 TIP3 1243 39.368 33.872 9.327 1.00 0.00 WT2 O ATOM 28097 H1 TIP3 1243 38.776 34.621 9.387 1.00 0.00 WT2 H ATOM 28098 H2 TIP3 1243 39.590 33.668 10.235 1.00 0.00 WT2 H ATOM 28099 OH2 TIP3 1244 84.822 27.532 -2.215 1.00 0.00 WT2 O ATOM 28100 H1 TIP3 1244 85.622 27.585 -2.738 1.00 0.00 WT2 H ATOM 28101 H2 TIP3 1244 84.252 28.210 -2.579 1.00 0.00 WT2 H ATOM 28102 OH2 TIP3 1247 85.986 25.476 12.990 1.00 0.00 WT2 O ATOM 28103 H1 TIP3 1247 85.375 25.894 12.385 1.00 0.00 WT2 H ATOM 28104 H2 TIP3 1247 85.886 24.539 12.823 1.00 0.00 WT2 H ATOM 28105 OH2 TIP3 1258 67.966 54.354 60.250 1.00 0.00 WT2 O ATOM 28106 H1 TIP3 1258 67.989 53.402 60.151 1.00 0.00 WT2 H ATOM 28107 H2 TIP3 1258 67.035 54.576 60.214 1.00 0.00 WT2 H ATOM 28108 OH2 TIP3 1263 78.173 73.930 59.267 1.00 0.00 WT2 O ATOM 28109 H1 TIP3 1263 77.478 74.474 59.638 1.00 0.00 WT2 H ATOM 28110 H2 TIP3 1263 78.850 74.552 59.003 1.00 0.00 WT2 H ATOM 28111 OH2 TIP3 1265 87.140 59.530 6.110 1.00 0.00 WT2 O ATOM 28112 H1 TIP3 1265 87.661 59.990 6.768 1.00 0.00 WT2 H ATOM 28113 H2 TIP3 1265 86.248 59.849 6.244 1.00 0.00 WT2 H ATOM 28114 OH2 TIP3 1266 47.389 42.751 7.177 1.00 0.00 WT2 O ATOM 28115 H1 TIP3 1266 47.339 41.810 7.348 1.00 0.00 WT2 H ATOM 28116 H2 TIP3 1266 48.034 43.075 7.807 1.00 0.00 WT2 H ATOM 28117 OH2 TIP3 1267 74.925 32.989 21.853 1.00 0.00 WT2 O ATOM 28118 H1 TIP3 1267 74.061 32.579 21.886 1.00 0.00 WT2 H ATOM 28119 H2 TIP3 1267 74.748 33.928 21.921 1.00 0.00 WT2 H ATOM 28120 OH2 TIP3 1268 67.518 28.615 58.150 1.00 0.00 WT2 O ATOM 28121 H1 TIP3 1268 67.017 28.861 58.928 1.00 0.00 WT2 H ATOM 28122 H2 TIP3 1268 67.286 27.700 57.994 1.00 0.00 WT2 H ATOM 28123 OH2 TIP3 1271 35.945 34.659 28.626 1.00 0.00 WT2 O ATOM 28124 H1 TIP3 1271 36.891 34.765 28.725 1.00 0.00 WT2 H ATOM 28125 H2 TIP3 1271 35.613 35.551 28.525 1.00 0.00 WT2 H ATOM 28126 OH2 TIP3 1281 79.674 89.834 47.153 1.00 0.00 WT2 O ATOM 28127 H1 TIP3 1281 78.998 90.139 47.758 1.00 0.00 WT2 H ATOM 28128 H2 TIP3 1281 80.032 90.635 46.770 1.00 0.00 WT2 H ATOM 28129 OH2 TIP3 1283 48.115 51.596 41.782 1.00 0.00 WT2 O ATOM 28130 H1 TIP3 1283 48.730 52.103 41.251 1.00 0.00 WT2 H ATOM 28131 H2 TIP3 1283 47.268 51.723 41.355 1.00 0.00 WT2 H ATOM 28132 OH2 TIP3 1284 83.935 75.347 -11.216 1.00 0.00 WT2 O ATOM 28133 H1 TIP3 1284 83.420 76.137 -11.380 1.00 0.00 WT2 H ATOM 28134 H2 TIP3 1284 84.799 75.544 -11.577 1.00 0.00 WT2 H ATOM 28135 OH2 TIP3 1285 50.435 60.543 -19.371 1.00 0.00 WT2 O ATOM 28136 H1 TIP3 1285 50.767 60.209 -20.205 1.00 0.00 WT2 H ATOM 28137 H2 TIP3 1285 49.825 61.238 -19.617 1.00 0.00 WT2 H ATOM 28138 OH2 TIP3 1286 48.801 8.681 2.846 1.00 0.00 WT2 O ATOM 28139 H1 TIP3 1286 47.938 8.992 2.572 1.00 0.00 WT2 H ATOM 28140 H2 TIP3 1286 48.740 7.727 2.792 1.00 0.00 WT2 H ATOM 28141 OH2 TIP3 1301 87.715 25.395 39.794 1.00 0.00 WT2 O ATOM 28142 H1 TIP3 1301 87.227 24.622 40.080 1.00 0.00 WT2 H ATOM 28143 H2 TIP3 1301 87.459 26.081 40.411 1.00 0.00 WT2 H ATOM 28144 OH2 TIP3 1303 75.341 92.794 -15.462 1.00 0.00 WT2 O ATOM 28145 H1 TIP3 1303 75.212 91.952 -15.026 1.00 0.00 WT2 H ATOM 28146 H2 TIP3 1303 76.199 93.092 -15.160 1.00 0.00 WT2 H ATOM 28147 OH2 TIP3 1304 82.175 8.926 42.880 1.00 0.00 WT2 O ATOM 28148 H1 TIP3 1304 81.517 9.609 42.749 1.00 0.00 WT2 H ATOM 28149 H2 TIP3 1304 82.043 8.637 43.783 1.00 0.00 WT2 H ATOM 28150 OH2 TIP3 1305 20.586 4.864 30.955 1.00 0.00 WT2 O ATOM 28151 H1 TIP3 1305 20.609 5.475 30.219 1.00 0.00 WT2 H ATOM 28152 H2 TIP3 1305 20.510 5.423 31.729 1.00 0.00 WT2 H ATOM 28153 OH2 TIP3 1306 64.700 30.490 48.845 1.00 0.00 WT2 O ATOM 28154 H1 TIP3 1306 63.808 30.790 48.667 1.00 0.00 WT2 H ATOM 28155 H2 TIP3 1306 65.201 30.758 48.074 1.00 0.00 WT2 H ATOM 28156 OH2 TIP3 1307 53.612 86.333 -4.621 1.00 0.00 WT2 O ATOM 28157 H1 TIP3 1307 53.968 87.190 -4.857 1.00 0.00 WT2 H ATOM 28158 H2 TIP3 1307 52.703 86.509 -4.379 1.00 0.00 WT2 H ATOM 28159 OH2 TIP3 1308 65.049 57.309 18.848 1.00 0.00 WT2 O ATOM 28160 H1 TIP3 1308 64.888 56.674 18.150 1.00 0.00 WT2 H ATOM 28161 H2 TIP3 1308 64.193 57.440 19.256 1.00 0.00 WT2 H ATOM 28162 OH2 TIP3 1322 29.960 42.105 47.383 1.00 0.00 WT2 O ATOM 28163 H1 TIP3 1322 29.186 41.571 47.561 1.00 0.00 WT2 H ATOM 28164 H2 TIP3 1322 30.006 42.150 46.428 1.00 0.00 WT2 H ATOM 28165 OH2 TIP3 1324 41.735 60.763 44.776 1.00 0.00 WT2 O ATOM 28166 H1 TIP3 1324 41.592 61.319 44.010 1.00 0.00 WT2 H ATOM 28167 H2 TIP3 1324 42.682 60.627 44.800 1.00 0.00 WT2 H ATOM 28168 OH2 TIP3 1326 88.555 17.988 51.845 1.00 0.00 WT2 O ATOM 28169 H1 TIP3 1326 88.831 18.046 50.930 1.00 0.00 WT2 H ATOM 28170 H2 TIP3 1326 89.192 18.519 52.322 1.00 0.00 WT2 H ATOM 28171 OH2 TIP3 1327 87.684 24.330 50.976 1.00 0.00 WT2 O ATOM 28172 H1 TIP3 1327 88.597 24.261 50.699 1.00 0.00 WT2 H ATOM 28173 H2 TIP3 1327 87.670 23.952 51.855 1.00 0.00 WT2 H ATOM 28174 OH2 TIP3 1328 51.560 12.373 28.316 1.00 0.00 WT2 O ATOM 28175 H1 TIP3 1328 52.172 13.109 28.331 1.00 0.00 WT2 H ATOM 28176 H2 TIP3 1328 51.143 12.426 27.456 1.00 0.00 WT2 H ATOM 28177 OH2 TIP3 1329 51.508 2.473 38.785 1.00 0.00 WT2 O ATOM 28178 H1 TIP3 1329 52.046 3.247 38.951 1.00 0.00 WT2 H ATOM 28179 H2 TIP3 1329 52.115 1.834 38.411 1.00 0.00 WT2 H ATOM 28180 OH2 TIP3 1330 82.946 44.360 64.572 1.00 0.00 WT2 O ATOM 28181 H1 TIP3 1330 82.518 44.073 65.378 1.00 0.00 WT2 H ATOM 28182 H2 TIP3 1330 82.598 43.780 63.895 1.00 0.00 WT2 H ATOM 28183 OH2 TIP3 1333 22.509 39.015 36.689 1.00 0.00 WT2 O ATOM 28184 H1 TIP3 1333 23.078 39.319 35.982 1.00 0.00 WT2 H ATOM 28185 H2 TIP3 1333 21.959 39.770 36.896 1.00 0.00 WT2 H ATOM 28186 OH2 TIP3 1344 55.168 70.848 -18.847 1.00 0.00 WT2 O ATOM 28187 H1 TIP3 1344 55.421 71.418 -19.574 1.00 0.00 WT2 H ATOM 28188 H2 TIP3 1344 54.289 71.141 -18.608 1.00 0.00 WT2 H ATOM 28189 OH2 TIP3 1345 27.778 61.111 49.668 1.00 0.00 WT2 O ATOM 28190 H1 TIP3 1345 27.028 60.837 49.140 1.00 0.00 WT2 H ATOM 28191 H2 TIP3 1345 28.541 60.801 49.180 1.00 0.00 WT2 H ATOM 28192 OH2 TIP3 1346 45.548 5.702 42.925 1.00 0.00 WT2 O ATOM 28193 H1 TIP3 1346 45.917 6.575 43.062 1.00 0.00 WT2 H ATOM 28194 H2 TIP3 1346 45.738 5.232 43.737 1.00 0.00 WT2 H ATOM 28195 OH2 TIP3 1347 24.287 12.321 39.741 1.00 0.00 WT2 O ATOM 28196 H1 TIP3 1347 24.117 12.731 40.590 1.00 0.00 WT2 H ATOM 28197 H2 TIP3 1347 24.602 13.036 39.189 1.00 0.00 WT2 H ATOM 28198 OH2 TIP3 1349 33.655 35.597 61.864 1.00 0.00 WT2 O ATOM 28199 H1 TIP3 1349 34.020 34.750 62.118 1.00 0.00 WT2 H ATOM 28200 H2 TIP3 1349 33.157 35.415 61.067 1.00 0.00 WT2 H ATOM 28201 OH2 TIP3 1350 80.653 16.442 44.616 1.00 0.00 WT2 O ATOM 28202 H1 TIP3 1350 81.422 16.983 44.436 1.00 0.00 WT2 H ATOM 28203 H2 TIP3 1350 80.290 16.247 43.752 1.00 0.00 WT2 H ATOM 28204 OH2 TIP3 1351 87.704 9.803 -15.061 1.00 0.00 WT2 O ATOM 28205 H1 TIP3 1351 87.590 9.407 -14.196 1.00 0.00 WT2 H ATOM 28206 H2 TIP3 1351 87.659 10.746 -14.901 1.00 0.00 WT2 H ATOM 28207 OH2 TIP3 1352 64.389 82.770 -5.223 1.00 0.00 WT2 O ATOM 28208 H1 TIP3 1352 64.347 83.274 -6.036 1.00 0.00 WT2 H ATOM 28209 H2 TIP3 1352 63.930 83.312 -4.581 1.00 0.00 WT2 H ATOM 28210 OH2 TIP3 1353 73.086 60.400 -15.361 1.00 0.00 WT2 O ATOM 28211 H1 TIP3 1353 72.354 60.995 -15.523 1.00 0.00 WT2 H ATOM 28212 H2 TIP3 1353 73.734 60.935 -14.904 1.00 0.00 WT2 H ATOM 28213 OH2 TIP3 1354 21.938 29.443 -9.739 1.00 0.00 WT2 O ATOM 28214 H1 TIP3 1354 22.485 28.800 -10.189 1.00 0.00 WT2 H ATOM 28215 H2 TIP3 1354 21.265 29.676 -10.379 1.00 0.00 WT2 H ATOM 28216 OH2 TIP3 1367 75.945 10.104 39.505 1.00 0.00 WT2 O ATOM 28217 H1 TIP3 1367 75.095 10.379 39.849 1.00 0.00 WT2 H ATOM 28218 H2 TIP3 1367 75.758 9.802 38.616 1.00 0.00 WT2 H ATOM 28219 OH2 TIP3 1368 44.759 79.805 16.000 1.00 0.00 WT2 O ATOM 28220 H1 TIP3 1368 44.212 79.125 16.392 1.00 0.00 WT2 H ATOM 28221 H2 TIP3 1368 44.434 79.887 15.103 1.00 0.00 WT2 H ATOM 28222 OH2 TIP3 1370 81.974 65.343 33.724 1.00 0.00 WT2 O ATOM 28223 H1 TIP3 1370 81.437 64.552 33.673 1.00 0.00 WT2 H ATOM 28224 H2 TIP3 1370 81.502 65.988 33.197 1.00 0.00 WT2 H ATOM 28225 OH2 TIP3 1371 60.167 50.329 -13.799 1.00 0.00 WT2 O ATOM 28226 H1 TIP3 1371 61.123 50.343 -13.774 1.00 0.00 WT2 H ATOM 28227 H2 TIP3 1371 59.900 50.954 -13.124 1.00 0.00 WT2 H ATOM 28228 OH2 TIP3 1373 61.819 33.119 31.340 1.00 0.00 WT2 O ATOM 28229 H1 TIP3 1373 62.181 33.975 31.113 1.00 0.00 WT2 H ATOM 28230 H2 TIP3 1373 61.010 33.058 30.832 1.00 0.00 WT2 H ATOM 28231 OH2 TIP3 1374 88.728 80.527 48.930 1.00 0.00 WT2 O ATOM 28232 H1 TIP3 1374 89.444 81.088 48.631 1.00 0.00 WT2 H ATOM 28233 H2 TIP3 1374 87.975 81.114 48.996 1.00 0.00 WT2 H ATOM 28234 OH2 TIP3 1375 80.677 29.153 39.839 1.00 0.00 WT2 O ATOM 28235 H1 TIP3 1375 80.047 28.507 39.518 1.00 0.00 WT2 H ATOM 28236 H2 TIP3 1375 80.583 29.128 40.791 1.00 0.00 WT2 H ATOM 28237 OH2 TIP3 1386 81.008 28.126 0.050 1.00 0.00 WT2 O ATOM 28238 H1 TIP3 1386 80.329 28.604 0.526 1.00 0.00 WT2 H ATOM 28239 H2 TIP3 1386 81.650 28.794 -0.190 1.00 0.00 WT2 H ATOM 28240 OH2 TIP3 1387 23.756 72.506 56.831 1.00 0.00 WT2 O ATOM 28241 H1 TIP3 1387 23.106 72.569 56.131 1.00 0.00 WT2 H ATOM 28242 H2 TIP3 1387 24.408 71.889 56.499 1.00 0.00 WT2 H ATOM 28243 OH2 TIP3 1388 68.041 37.313 -15.600 1.00 0.00 WT2 O ATOM 28244 H1 TIP3 1388 68.944 37.621 -15.681 1.00 0.00 WT2 H ATOM 28245 H2 TIP3 1388 68.094 36.370 -15.757 1.00 0.00 WT2 H ATOM 28246 OH2 TIP3 1389 56.924 18.090 20.793 1.00 0.00 WT2 O ATOM 28247 H1 TIP3 1389 56.278 18.796 20.767 1.00 0.00 WT2 H ATOM 28248 H2 TIP3 1389 57.763 18.536 20.910 1.00 0.00 WT2 H ATOM 28249 OH2 TIP3 1392 34.124 0.414 5.691 1.00 0.00 WT2 O ATOM 28250 H1 TIP3 1392 33.925 1.330 5.493 1.00 0.00 WT2 H ATOM 28251 H2 TIP3 1392 33.883 -0.061 4.896 1.00 0.00 WT2 H ATOM 28252 OH2 TIP3 1393 20.222 82.240 48.311 1.00 0.00 WT2 O ATOM 28253 H1 TIP3 1393 20.023 83.055 47.851 1.00 0.00 WT2 H ATOM 28254 H2 TIP3 1393 20.722 82.513 49.080 1.00 0.00 WT2 H ATOM 28255 OH2 TIP3 1407 23.320 29.969 63.558 1.00 0.00 WT2 O ATOM 28256 H1 TIP3 1407 22.848 30.802 63.524 1.00 0.00 WT2 H ATOM 28257 H2 TIP3 1407 24.084 30.149 64.105 1.00 0.00 WT2 H ATOM 28258 OH2 TIP3 1408 23.782 40.243 34.681 1.00 0.00 WT2 O ATOM 28259 H1 TIP3 1408 23.949 41.182 34.611 1.00 0.00 WT2 H ATOM 28260 H2 TIP3 1408 23.991 39.896 33.814 1.00 0.00 WT2 H ATOM 28261 OH2 TIP3 1411 20.928 29.546 -15.522 1.00 0.00 WT2 O ATOM 28262 H1 TIP3 1411 20.103 29.061 -15.493 1.00 0.00 WT2 H ATOM 28263 H2 TIP3 1411 20.839 30.127 -16.278 1.00 0.00 WT2 H ATOM 28264 OH2 TIP3 1412 33.529 5.730 24.271 1.00 0.00 WT2 O ATOM 28265 H1 TIP3 1412 33.976 6.551 24.476 1.00 0.00 WT2 H ATOM 28266 H2 TIP3 1412 33.268 5.380 25.123 1.00 0.00 WT2 H ATOM 28267 OH2 TIP3 1413 49.194 9.324 44.417 1.00 0.00 WT2 O ATOM 28268 H1 TIP3 1413 48.750 8.651 44.933 1.00 0.00 WT2 H ATOM 28269 H2 TIP3 1413 49.794 8.837 43.852 1.00 0.00 WT2 H ATOM 28270 OH2 TIP3 1414 84.994 86.691 56.923 1.00 0.00 WT2 O ATOM 28271 H1 TIP3 1414 85.376 86.737 56.046 1.00 0.00 WT2 H ATOM 28272 H2 TIP3 1414 84.969 87.600 57.222 1.00 0.00 WT2 H ATOM 28273 OH2 TIP3 1415 46.840 63.046 -0.190 1.00 0.00 WT2 O ATOM 28274 H1 TIP3 1415 47.527 63.181 -0.843 1.00 0.00 WT2 H ATOM 28275 H2 TIP3 1415 47.234 62.460 0.456 1.00 0.00 WT2 H ATOM 28276 OH2 TIP3 1418 33.938 41.166 66.208 1.00 0.00 WT2 O ATOM 28277 H1 TIP3 1418 33.539 40.941 67.048 1.00 0.00 WT2 H ATOM 28278 H2 TIP3 1418 34.646 41.769 66.432 1.00 0.00 WT2 H ATOM 28279 OH2 TIP3 1425 33.004 85.879 34.975 1.00 0.00 WT2 O ATOM 28280 H1 TIP3 1425 32.808 86.522 34.294 1.00 0.00 WT2 H ATOM 28281 H2 TIP3 1425 32.842 85.032 34.560 1.00 0.00 WT2 H ATOM 28282 OH2 TIP3 1427 58.552 9.433 46.150 1.00 0.00 WT2 O ATOM 28283 H1 TIP3 1427 58.621 9.241 45.214 1.00 0.00 WT2 H ATOM 28284 H2 TIP3 1427 57.753 9.955 46.230 1.00 0.00 WT2 H ATOM 28285 OH2 TIP3 1428 57.206 70.078 -16.787 1.00 0.00 WT2 O ATOM 28286 H1 TIP3 1428 56.667 69.842 -17.542 1.00 0.00 WT2 H ATOM 28287 H2 TIP3 1428 56.657 69.877 -16.029 1.00 0.00 WT2 H ATOM 28288 OH2 TIP3 1429 83.462 70.469 18.436 1.00 0.00 WT2 O ATOM 28289 H1 TIP3 1429 83.225 70.884 19.266 1.00 0.00 WT2 H ATOM 28290 H2 TIP3 1429 82.666 70.516 17.907 1.00 0.00 WT2 H ATOM 28291 OH2 TIP3 1430 67.850 4.627 45.542 1.00 0.00 WT2 O ATOM 28292 H1 TIP3 1430 68.550 4.139 45.109 1.00 0.00 WT2 H ATOM 28293 H2 TIP3 1430 67.768 4.218 46.403 1.00 0.00 WT2 H ATOM 28294 OH2 TIP3 1431 62.440 21.929 57.018 1.00 0.00 WT2 O ATOM 28295 H1 TIP3 1431 62.087 22.793 57.228 1.00 0.00 WT2 H ATOM 28296 H2 TIP3 1431 62.581 21.951 56.072 1.00 0.00 WT2 H ATOM 28297 OH2 TIP3 1432 57.072 69.876 -4.790 1.00 0.00 WT2 O ATOM 28298 H1 TIP3 1432 56.977 68.933 -4.658 1.00 0.00 WT2 H ATOM 28299 H2 TIP3 1432 57.436 70.199 -3.966 1.00 0.00 WT2 H ATOM 28300 OH2 TIP3 1433 79.615 67.656 50.446 1.00 0.00 WT2 O ATOM 28301 H1 TIP3 1433 79.674 66.742 50.722 1.00 0.00 WT2 H ATOM 28302 H2 TIP3 1433 79.965 67.662 49.556 1.00 0.00 WT2 H ATOM 28303 OH2 TIP3 1435 53.172 12.814 32.159 1.00 0.00 WT2 O ATOM 28304 H1 TIP3 1435 53.551 13.010 33.016 1.00 0.00 WT2 H ATOM 28305 H2 TIP3 1435 52.314 13.239 32.173 1.00 0.00 WT2 H ATOM 28306 OH2 TIP3 1440 87.202 47.576 12.950 1.00 0.00 WT2 O ATOM 28307 H1 TIP3 1440 88.013 47.812 12.499 1.00 0.00 WT2 H ATOM 28308 H2 TIP3 1440 87.381 46.717 13.333 1.00 0.00 WT2 H ATOM 28309 OH2 TIP3 1450 42.560 30.968 47.782 1.00 0.00 WT2 O ATOM 28310 H1 TIP3 1450 43.457 30.858 47.466 1.00 0.00 WT2 H ATOM 28311 H2 TIP3 1450 42.131 30.136 47.580 1.00 0.00 WT2 H ATOM 28312 OH2 TIP3 1451 25.851 4.607 20.743 1.00 0.00 WT2 O ATOM 28313 H1 TIP3 1451 25.400 4.923 19.960 1.00 0.00 WT2 H ATOM 28314 H2 TIP3 1451 26.044 3.689 20.555 1.00 0.00 WT2 H ATOM 28315 OH2 TIP3 1452 66.616 9.020 59.944 1.00 0.00 WT2 O ATOM 28316 H1 TIP3 1452 66.302 9.741 60.490 1.00 0.00 WT2 H ATOM 28317 H2 TIP3 1452 66.644 8.267 60.534 1.00 0.00 WT2 H ATOM 28318 OH2 TIP3 1453 86.801 73.137 -12.977 1.00 0.00 WT2 O ATOM 28319 H1 TIP3 1453 86.195 72.651 -12.419 1.00 0.00 WT2 H ATOM 28320 H2 TIP3 1453 86.996 72.539 -13.698 1.00 0.00 WT2 H ATOM 28321 OH2 TIP3 1454 45.812 17.206 3.473 1.00 0.00 WT2 O ATOM 28322 H1 TIP3 1454 46.498 17.299 4.135 1.00 0.00 WT2 H ATOM 28323 H2 TIP3 1454 45.402 18.070 3.431 1.00 0.00 WT2 H ATOM 28324 OH2 TIP3 1457 54.394 27.182 38.646 1.00 0.00 WT2 O ATOM 28325 H1 TIP3 1457 53.880 26.417 38.902 1.00 0.00 WT2 H ATOM 28326 H2 TIP3 1457 55.196 27.117 39.165 1.00 0.00 WT2 H ATOM 28327 OH2 TIP3 1458 59.328 37.663 58.770 1.00 0.00 WT2 O ATOM 28328 H1 TIP3 1458 59.314 37.941 57.854 1.00 0.00 WT2 H ATOM 28329 H2 TIP3 1458 58.789 36.873 58.789 1.00 0.00 WT2 H ATOM 28330 OH2 TIP3 1466 30.781 43.844 57.780 1.00 0.00 WT2 O ATOM 28331 H1 TIP3 1466 31.471 44.508 57.802 1.00 0.00 WT2 H ATOM 28332 H2 TIP3 1466 30.458 43.864 56.879 1.00 0.00 WT2 H ATOM 28333 OH2 TIP3 1471 65.692 32.561 6.562 1.00 0.00 WT2 O ATOM 28334 H1 TIP3 1471 65.854 33.177 5.848 1.00 0.00 WT2 H ATOM 28335 H2 TIP3 1471 65.672 33.106 7.349 1.00 0.00 WT2 H ATOM 28336 OH2 TIP3 1474 36.221 13.353 57.354 1.00 0.00 WT2 O ATOM 28337 H1 TIP3 1474 35.559 12.911 57.884 1.00 0.00 WT2 H ATOM 28338 H2 TIP3 1474 36.956 12.741 57.327 1.00 0.00 WT2 H ATOM 28339 OH2 TIP3 1477 89.214 30.786 29.728 1.00 0.00 WT2 O ATOM 28340 H1 TIP3 1477 89.142 31.574 29.190 1.00 0.00 WT2 H ATOM 28341 H2 TIP3 1477 90.088 30.444 29.537 1.00 0.00 WT2 H ATOM 28342 OH2 TIP3 1478 55.317 37.886 -9.429 1.00 0.00 WT2 O ATOM 28343 H1 TIP3 1478 56.142 37.535 -9.093 1.00 0.00 WT2 H ATOM 28344 H2 TIP3 1478 55.513 38.799 -9.639 1.00 0.00 WT2 H ATOM 28345 OH2 TIP3 1480 42.680 28.281 -14.598 1.00 0.00 WT2 O ATOM 28346 H1 TIP3 1480 42.618 28.448 -13.657 1.00 0.00 WT2 H ATOM 28347 H2 TIP3 1480 43.145 29.042 -14.946 1.00 0.00 WT2 H ATOM 28348 OH2 TIP3 1492 23.455 44.607 45.414 1.00 0.00 WT2 O ATOM 28349 H1 TIP3 1492 22.941 45.302 45.825 1.00 0.00 WT2 H ATOM 28350 H2 TIP3 1492 23.483 44.846 44.487 1.00 0.00 WT2 H ATOM 28351 OH2 TIP3 1493 20.699 84.688 27.610 1.00 0.00 WT2 O ATOM 28352 H1 TIP3 1493 21.227 85.412 27.272 1.00 0.00 WT2 H ATOM 28353 H2 TIP3 1493 20.024 84.553 26.945 1.00 0.00 WT2 H ATOM 28354 OH2 TIP3 1494 26.760 71.873 43.230 1.00 0.00 WT2 O ATOM 28355 H1 TIP3 1494 27.418 72.188 42.610 1.00 0.00 WT2 H ATOM 28356 H2 TIP3 1494 26.289 71.190 42.754 1.00 0.00 WT2 H ATOM 28357 OH2 TIP3 1496 73.622 11.782 9.847 1.00 0.00 WT2 O ATOM 28358 H1 TIP3 1496 72.898 11.438 10.371 1.00 0.00 WT2 H ATOM 28359 H2 TIP3 1496 73.651 12.715 10.062 1.00 0.00 WT2 H ATOM 28360 OH2 TIP3 1497 64.528 39.000 -18.791 1.00 0.00 WT2 O ATOM 28361 H1 TIP3 1497 64.590 39.601 -18.049 1.00 0.00 WT2 H ATOM 28362 H2 TIP3 1497 63.778 38.442 -18.588 1.00 0.00 WT2 H ATOM 28363 OH2 TIP3 1499 35.847 34.360 17.809 1.00 0.00 WT2 O ATOM 28364 H1 TIP3 1499 36.225 35.068 18.329 1.00 0.00 WT2 H ATOM 28365 H2 TIP3 1499 36.584 34.008 17.310 1.00 0.00 WT2 H ATOM 28366 OH2 TIP3 1512 21.349 96.781 49.018 1.00 0.00 WT2 O ATOM 28367 H1 TIP3 1512 22.202 96.557 48.646 1.00 0.00 WT2 H ATOM 28368 H2 TIP3 1512 20.873 95.951 49.044 1.00 0.00 WT2 H ATOM 28369 OH2 TIP3 1514 21.576 68.507 45.993 1.00 0.00 WT2 O ATOM 28370 H1 TIP3 1514 21.346 69.270 46.522 1.00 0.00 WT2 H ATOM 28371 H2 TIP3 1514 21.128 67.776 46.418 1.00 0.00 WT2 H ATOM 28372 OH2 TIP3 1515 62.822 11.056 35.130 1.00 0.00 WT2 O ATOM 28373 H1 TIP3 1515 62.819 11.224 34.188 1.00 0.00 WT2 H ATOM 28374 H2 TIP3 1515 63.145 10.159 35.214 1.00 0.00 WT2 H ATOM 28375 OH2 TIP3 1519 79.482 2.247 -9.592 1.00 0.00 WT2 O ATOM 28376 H1 TIP3 1519 79.409 3.129 -9.227 1.00 0.00 WT2 H ATOM 28377 H2 TIP3 1519 78.852 2.232 -10.312 1.00 0.00 WT2 H ATOM 28378 OH2 TIP3 1531 33.167 20.711 -0.407 1.00 0.00 WT2 O ATOM 28379 H1 TIP3 1531 33.273 21.323 -1.135 1.00 0.00 WT2 H ATOM 28380 H2 TIP3 1531 34.058 20.438 -0.190 1.00 0.00 WT2 H ATOM 28381 OH2 TIP3 1532 38.230 22.153 47.147 1.00 0.00 WT2 O ATOM 28382 H1 TIP3 1532 38.829 21.451 46.892 1.00 0.00 WT2 H ATOM 28383 H2 TIP3 1532 38.160 22.703 46.367 1.00 0.00 WT2 H ATOM 28384 OH2 TIP3 1534 40.584 7.095 38.034 1.00 0.00 WT2 O ATOM 28385 H1 TIP3 1534 41.044 6.994 38.867 1.00 0.00 WT2 H ATOM 28386 H2 TIP3 1534 40.454 8.039 37.943 1.00 0.00 WT2 H ATOM 28387 OH2 TIP3 1535 67.449 60.403 60.523 1.00 0.00 WT2 O ATOM 28388 H1 TIP3 1535 66.540 60.626 60.321 1.00 0.00 WT2 H ATOM 28389 H2 TIP3 1535 67.966 60.929 59.914 1.00 0.00 WT2 H ATOM 28390 OH2 TIP3 1536 61.949 63.988 58.939 1.00 0.00 WT2 O ATOM 28391 H1 TIP3 1536 61.193 63.571 59.353 1.00 0.00 WT2 H ATOM 28392 H2 TIP3 1536 61.610 64.816 58.599 1.00 0.00 WT2 H ATOM 28393 OH2 TIP3 1537 78.704 24.814 50.702 1.00 0.00 WT2 O ATOM 28394 H1 TIP3 1537 79.009 25.702 50.515 1.00 0.00 WT2 H ATOM 28395 H2 TIP3 1537 78.296 24.523 49.886 1.00 0.00 WT2 H ATOM 28396 OH2 TIP3 1538 22.354 57.468 -17.203 1.00 0.00 WT2 O ATOM 28397 H1 TIP3 1538 21.646 58.036 -17.508 1.00 0.00 WT2 H ATOM 28398 H2 TIP3 1538 23.039 58.072 -16.917 1.00 0.00 WT2 H ATOM 28399 OH2 TIP3 1539 66.289 35.423 14.920 1.00 0.00 WT2 O ATOM 28400 H1 TIP3 1539 65.572 34.790 14.968 1.00 0.00 WT2 H ATOM 28401 H2 TIP3 1539 65.970 36.183 15.407 1.00 0.00 WT2 H ATOM 28402 OH2 TIP3 1540 52.952 64.650 39.516 1.00 0.00 WT2 O ATOM 28403 H1 TIP3 1540 52.661 64.880 38.633 1.00 0.00 WT2 H ATOM 28404 H2 TIP3 1540 53.158 63.717 39.465 1.00 0.00 WT2 H ATOM 28405 OH2 TIP3 1551 85.600 26.848 -17.285 1.00 0.00 WT2 O ATOM 28406 H1 TIP3 1551 85.871 27.504 -16.643 1.00 0.00 WT2 H ATOM 28407 H2 TIP3 1551 85.625 27.308 -18.124 1.00 0.00 WT2 H ATOM 28408 OH2 TIP3 1552 56.778 46.207 52.388 1.00 0.00 WT2 O ATOM 28409 H1 TIP3 1552 56.300 46.617 53.109 1.00 0.00 WT2 H ATOM 28410 H2 TIP3 1552 57.125 46.941 51.882 1.00 0.00 WT2 H ATOM 28411 OH2 TIP3 1555 42.010 94.217 -18.898 1.00 0.00 WT2 O ATOM 28412 H1 TIP3 1555 42.164 94.148 -17.956 1.00 0.00 WT2 H ATOM 28413 H2 TIP3 1555 41.312 93.587 -19.073 1.00 0.00 WT2 H ATOM 28414 OH2 TIP3 1558 62.760 16.848 51.195 1.00 0.00 WT2 O ATOM 28415 H1 TIP3 1558 62.973 16.283 50.453 1.00 0.00 WT2 H ATOM 28416 H2 TIP3 1558 62.197 16.311 51.752 1.00 0.00 WT2 H ATOM 28417 OH2 TIP3 1559 81.907 39.842 54.495 1.00 0.00 WT2 O ATOM 28418 H1 TIP3 1559 81.241 39.930 53.812 1.00 0.00 WT2 H ATOM 28419 H2 TIP3 1559 81.993 40.721 54.861 1.00 0.00 WT2 H ATOM 28420 OH2 TIP3 1560 88.571 46.935 -5.787 1.00 0.00 WT2 O ATOM 28421 H1 TIP3 1560 88.564 47.011 -4.833 1.00 0.00 WT2 H ATOM 28422 H2 TIP3 1560 87.661 47.077 -6.047 1.00 0.00 WT2 H ATOM 28423 OH2 TIP3 1561 69.325 28.907 -1.866 1.00 0.00 WT2 O ATOM 28424 H1 TIP3 1561 69.782 28.144 -1.512 1.00 0.00 WT2 H ATOM 28425 H2 TIP3 1561 68.570 29.024 -1.290 1.00 0.00 WT2 H ATOM 28426 OH2 TIP3 1576 26.326 66.494 36.882 1.00 0.00 WT2 O ATOM 28427 H1 TIP3 1576 26.754 66.540 36.027 1.00 0.00 WT2 H ATOM 28428 H2 TIP3 1576 25.584 65.905 36.747 1.00 0.00 WT2 H ATOM 28429 OH2 TIP3 1577 58.093 32.128 56.407 1.00 0.00 WT2 O ATOM 28430 H1 TIP3 1577 58.964 32.078 56.015 1.00 0.00 WT2 H ATOM 28431 H2 TIP3 1577 57.711 32.927 56.042 1.00 0.00 WT2 H ATOM 28432 OH2 TIP3 1578 32.850 69.535 42.254 1.00 0.00 WT2 O ATOM 28433 H1 TIP3 1578 32.852 70.442 41.950 1.00 0.00 WT2 H ATOM 28434 H2 TIP3 1578 33.758 69.362 42.501 1.00 0.00 WT2 H ATOM 28435 OH2 TIP3 1579 50.968 54.120 66.389 1.00 0.00 WT2 O ATOM 28436 H1 TIP3 1579 50.133 53.925 66.816 1.00 0.00 WT2 H ATOM 28437 H2 TIP3 1579 51.433 53.283 66.378 1.00 0.00 WT2 H ATOM 28438 OH2 TIP3 1580 47.392 53.618 7.292 1.00 0.00 WT2 O ATOM 28439 H1 TIP3 1580 47.305 53.246 8.170 1.00 0.00 WT2 H ATOM 28440 H2 TIP3 1580 48.107 54.249 7.369 1.00 0.00 WT2 H ATOM 28441 OH2 TIP3 1582 35.477 36.915 22.297 1.00 0.00 WT2 O ATOM 28442 H1 TIP3 1582 36.018 37.089 23.068 1.00 0.00 WT2 H ATOM 28443 H2 TIP3 1582 35.686 37.627 21.692 1.00 0.00 WT2 H ATOM 28444 OH2 TIP3 1583 20.383 27.288 12.914 1.00 0.00 WT2 O ATOM 28445 H1 TIP3 1583 20.541 27.162 13.850 1.00 0.00 WT2 H ATOM 28446 H2 TIP3 1583 19.981 26.468 12.626 1.00 0.00 WT2 H ATOM 28447 OH2 TIP3 1599 41.770 32.238 -19.758 1.00 0.00 WT2 O ATOM 28448 H1 TIP3 1599 41.162 32.787 -19.263 1.00 0.00 WT2 H ATOM 28449 H2 TIP3 1599 41.383 32.179 -20.632 1.00 0.00 WT2 H ATOM 28450 OH2 TIP3 1601 56.822 66.560 66.062 1.00 0.00 WT2 O ATOM 28451 H1 TIP3 1601 56.415 66.140 65.304 1.00 0.00 WT2 H ATOM 28452 H2 TIP3 1601 57.136 67.401 65.729 1.00 0.00 WT2 H ATOM 28453 OH2 TIP3 1604 57.791 33.641 61.111 1.00 0.00 WT2 O ATOM 28454 H1 TIP3 1604 57.440 34.427 60.691 1.00 0.00 WT2 H ATOM 28455 H2 TIP3 1604 57.990 33.917 62.006 1.00 0.00 WT2 H ATOM 28456 OH2 TIP3 1605 76.240 33.538 61.244 1.00 0.00 WT2 O ATOM 28457 H1 TIP3 1605 75.727 33.467 62.049 1.00 0.00 WT2 H ATOM 28458 H2 TIP3 1605 75.661 33.990 60.629 1.00 0.00 WT2 H ATOM 28459 OH2 TIP3 1616 35.637 13.558 -17.475 1.00 0.00 WT2 O ATOM 28460 H1 TIP3 1616 35.255 12.839 -17.978 1.00 0.00 WT2 H ATOM 28461 H2 TIP3 1616 35.917 14.192 -18.135 1.00 0.00 WT2 H ATOM 28462 OH2 TIP3 1617 64.814 61.026 59.848 1.00 0.00 WT2 O ATOM 28463 H1 TIP3 1617 64.392 61.827 60.160 1.00 0.00 WT2 H ATOM 28464 H2 TIP3 1617 64.137 60.353 59.924 1.00 0.00 WT2 H ATOM 28465 OH2 TIP3 1618 26.076 63.730 23.135 1.00 0.00 WT2 O ATOM 28466 H1 TIP3 1618 25.783 63.003 23.684 1.00 0.00 WT2 H ATOM 28467 H2 TIP3 1618 26.976 63.504 22.898 1.00 0.00 WT2 H ATOM 28468 OH2 TIP3 1620 37.098 70.345 -19.496 1.00 0.00 WT2 O ATOM 28469 H1 TIP3 1620 37.773 69.719 -19.758 1.00 0.00 WT2 H ATOM 28470 H2 TIP3 1620 36.318 69.809 -19.348 1.00 0.00 WT2 H ATOM 28471 OH2 TIP3 1621 25.416 22.659 9.589 1.00 0.00 WT2 O ATOM 28472 H1 TIP3 1621 25.737 23.500 9.915 1.00 0.00 WT2 H ATOM 28473 H2 TIP3 1621 25.500 22.065 10.335 1.00 0.00 WT2 H ATOM 28474 OH2 TIP3 1622 83.414 41.623 48.788 1.00 0.00 WT2 O ATOM 28475 H1 TIP3 1622 83.630 41.885 47.893 1.00 0.00 WT2 H ATOM 28476 H2 TIP3 1622 83.691 40.709 48.844 1.00 0.00 WT2 H ATOM 28477 OH2 TIP3 1623 34.238 27.372 -19.755 1.00 0.00 WT2 O ATOM 28478 H1 TIP3 1623 33.444 27.095 -19.298 1.00 0.00 WT2 H ATOM 28479 H2 TIP3 1623 34.379 26.699 -20.421 1.00 0.00 WT2 H ATOM 28480 OH2 TIP3 1624 34.816 85.484 -17.601 1.00 0.00 WT2 O ATOM 28481 H1 TIP3 1624 35.169 86.268 -17.180 1.00 0.00 WT2 H ATOM 28482 H2 TIP3 1624 34.387 85.808 -18.393 1.00 0.00 WT2 H ATOM 28483 OH2 TIP3 1625 20.199 86.838 60.873 1.00 0.00 WT2 O ATOM 28484 H1 TIP3 1625 20.891 87.407 61.209 1.00 0.00 WT2 H ATOM 28485 H2 TIP3 1625 20.655 86.043 60.598 1.00 0.00 WT2 H ATOM 28486 OH2 TIP3 1628 74.253 60.246 5.978 1.00 0.00 WT2 O ATOM 28487 H1 TIP3 1628 74.984 60.684 6.414 1.00 0.00 WT2 H ATOM 28488 H2 TIP3 1628 73.565 60.209 6.643 1.00 0.00 WT2 H ATOM 28489 OH2 TIP3 1638 31.942 74.937 25.421 1.00 0.00 WT2 O ATOM 28490 H1 TIP3 1638 31.578 75.354 24.640 1.00 0.00 WT2 H ATOM 28491 H2 TIP3 1638 31.484 75.352 26.151 1.00 0.00 WT2 H ATOM 28492 OH2 TIP3 1639 67.069 69.772 65.464 1.00 0.00 WT2 O ATOM 28493 H1 TIP3 1639 67.543 69.356 64.745 1.00 0.00 WT2 H ATOM 28494 H2 TIP3 1639 67.364 70.683 65.451 1.00 0.00 WT2 H ATOM 28495 OH2 TIP3 1640 57.139 1.797 40.322 1.00 0.00 WT2 O ATOM 28496 H1 TIP3 1640 57.408 1.277 41.079 1.00 0.00 WT2 H ATOM 28497 H2 TIP3 1640 57.302 1.228 39.569 1.00 0.00 WT2 H ATOM 28498 OH2 TIP3 1641 63.558 5.683 45.270 1.00 0.00 WT2 O ATOM 28499 H1 TIP3 1641 63.400 4.991 44.627 1.00 0.00 WT2 H ATOM 28500 H2 TIP3 1641 64.067 5.259 45.960 1.00 0.00 WT2 H ATOM 28501 OH2 TIP3 1643 74.673 61.451 46.956 1.00 0.00 WT2 O ATOM 28502 H1 TIP3 1643 74.092 61.128 47.644 1.00 0.00 WT2 H ATOM 28503 H2 TIP3 1643 74.885 62.346 47.222 1.00 0.00 WT2 H ATOM 28504 OH2 TIP3 1645 30.337 74.589 40.293 1.00 0.00 WT2 O ATOM 28505 H1 TIP3 1645 30.496 73.800 39.775 1.00 0.00 WT2 H ATOM 28506 H2 TIP3 1645 29.924 75.198 39.682 1.00 0.00 WT2 H ATOM 28507 OH2 TIP3 1647 42.088 18.133 64.104 1.00 0.00 WT2 O ATOM 28508 H1 TIP3 1647 42.484 18.145 63.232 1.00 0.00 WT2 H ATOM 28509 H2 TIP3 1647 41.187 18.424 63.962 1.00 0.00 WT2 H ATOM 28510 OH2 TIP3 1648 73.312 66.411 7.403 1.00 0.00 WT2 O ATOM 28511 H1 TIP3 1648 73.998 65.787 7.167 1.00 0.00 WT2 H ATOM 28512 H2 TIP3 1648 72.538 66.109 6.926 1.00 0.00 WT2 H ATOM 28513 OH2 TIP3 1656 26.373 9.797 35.103 1.00 0.00 WT2 O ATOM 28514 H1 TIP3 1656 25.863 8.987 35.091 1.00 0.00 WT2 H ATOM 28515 H2 TIP3 1656 25.975 10.320 35.798 1.00 0.00 WT2 H ATOM 28516 OH2 TIP3 1658 71.384 31.007 54.811 1.00 0.00 WT2 O ATOM 28517 H1 TIP3 1658 70.520 30.595 54.838 1.00 0.00 WT2 H ATOM 28518 H2 TIP3 1658 71.913 30.418 54.272 1.00 0.00 WT2 H ATOM 28519 OH2 TIP3 1659 24.026 63.993 16.842 1.00 0.00 WT2 O ATOM 28520 H1 TIP3 1659 23.383 64.379 17.437 1.00 0.00 WT2 H ATOM 28521 H2 TIP3 1659 24.517 63.377 17.386 1.00 0.00 WT2 H ATOM 28522 OH2 TIP3 1661 83.493 79.434 66.860 1.00 0.00 WT2 O ATOM 28523 H1 TIP3 1661 82.546 79.308 66.807 1.00 0.00 WT2 H ATOM 28524 H2 TIP3 1661 83.694 80.048 66.154 1.00 0.00 WT2 H ATOM 28525 OH2 TIP3 1662 40.184 89.087 -2.432 1.00 0.00 WT2 O ATOM 28526 H1 TIP3 1662 40.317 88.224 -2.041 1.00 0.00 WT2 H ATOM 28527 H2 TIP3 1662 40.858 89.152 -3.108 1.00 0.00 WT2 H ATOM 28528 OH2 TIP3 1663 84.476 78.573 9.732 1.00 0.00 WT2 O ATOM 28529 H1 TIP3 1663 84.641 77.939 9.034 1.00 0.00 WT2 H ATOM 28530 H2 TIP3 1663 84.972 78.241 10.480 1.00 0.00 WT2 H ATOM 28531 OH2 TIP3 1664 81.390 37.306 -17.352 1.00 0.00 WT2 O ATOM 28532 H1 TIP3 1664 80.975 38.157 -17.496 1.00 0.00 WT2 H ATOM 28533 H2 TIP3 1664 81.768 37.077 -18.201 1.00 0.00 WT2 H ATOM 28534 OH2 TIP3 1665 57.119 31.485 32.260 1.00 0.00 WT2 O ATOM 28535 H1 TIP3 1665 56.886 31.894 31.427 1.00 0.00 WT2 H ATOM 28536 H2 TIP3 1665 56.703 30.624 32.230 1.00 0.00 WT2 H ATOM 28537 OH2 TIP3 1666 49.005 60.170 62.061 1.00 0.00 WT2 O ATOM 28538 H1 TIP3 1666 49.614 60.886 62.244 1.00 0.00 WT2 H ATOM 28539 H2 TIP3 1666 48.138 60.570 62.127 1.00 0.00 WT2 H ATOM 28540 OH2 TIP3 1667 36.254 67.121 -16.698 1.00 0.00 WT2 O ATOM 28541 H1 TIP3 1667 36.624 67.204 -17.577 1.00 0.00 WT2 H ATOM 28542 H2 TIP3 1667 36.787 66.446 -16.276 1.00 0.00 WT2 H ATOM 28543 OH2 TIP3 1681 37.182 45.384 -15.156 1.00 0.00 WT2 O ATOM 28544 H1 TIP3 1681 36.402 45.939 -15.142 1.00 0.00 WT2 H ATOM 28545 H2 TIP3 1681 37.914 46.001 -15.187 1.00 0.00 WT2 H ATOM 28546 OH2 TIP3 1683 55.357 16.737 57.903 1.00 0.00 WT2 O ATOM 28547 H1 TIP3 1683 54.888 15.927 57.700 1.00 0.00 WT2 H ATOM 28548 H2 TIP3 1683 54.802 17.431 57.547 1.00 0.00 WT2 H ATOM 28549 OH2 TIP3 1684 89.906 44.862 35.122 1.00 0.00 WT2 O ATOM 28550 H1 TIP3 1684 89.489 44.002 35.058 1.00 0.00 WT2 H ATOM 28551 H2 TIP3 1684 89.396 45.419 34.534 1.00 0.00 WT2 H ATOM 28552 OH2 TIP3 1686 47.096 94.931 57.451 1.00 0.00 WT2 O ATOM 28553 H1 TIP3 1686 47.084 94.023 57.753 1.00 0.00 WT2 H ATOM 28554 H2 TIP3 1686 47.919 95.285 57.788 1.00 0.00 WT2 H ATOM 28555 OH2 TIP3 1687 22.654 40.247 28.917 1.00 0.00 WT2 O ATOM 28556 H1 TIP3 1687 21.887 40.555 28.435 1.00 0.00 WT2 H ATOM 28557 H2 TIP3 1687 22.782 40.898 29.606 1.00 0.00 WT2 H ATOM 28558 OH2 TIP3 1688 54.106 55.563 -1.416 1.00 0.00 WT2 O ATOM 28559 H1 TIP3 1688 54.346 55.864 -0.539 1.00 0.00 WT2 H ATOM 28560 H2 TIP3 1688 53.377 54.959 -1.270 1.00 0.00 WT2 H ATOM 28561 OH2 TIP3 1689 60.072 17.544 64.228 1.00 0.00 WT2 O ATOM 28562 H1 TIP3 1689 60.201 17.251 63.326 1.00 0.00 WT2 H ATOM 28563 H2 TIP3 1689 59.295 17.070 64.525 1.00 0.00 WT2 H ATOM 28564 OH2 TIP3 1691 61.620 41.002 59.820 1.00 0.00 WT2 O ATOM 28565 H1 TIP3 1691 61.883 40.433 59.096 1.00 0.00 WT2 H ATOM 28566 H2 TIP3 1691 62.309 40.891 60.475 1.00 0.00 WT2 H ATOM 28567 OH2 TIP3 1701 22.942 85.560 24.446 1.00 0.00 WT2 O ATOM 28568 H1 TIP3 1701 23.573 85.229 25.085 1.00 0.00 WT2 H ATOM 28569 H2 TIP3 1701 23.405 86.264 23.994 1.00 0.00 WT2 H ATOM 28570 OH2 TIP3 1702 75.327 70.122 1.837 1.00 0.00 WT2 O ATOM 28571 H1 TIP3 1702 75.635 70.002 2.736 1.00 0.00 WT2 H ATOM 28572 H2 TIP3 1702 74.372 70.112 1.908 1.00 0.00 WT2 H ATOM 28573 OH2 TIP3 1704 88.918 80.679 34.182 1.00 0.00 WT2 O ATOM 28574 H1 TIP3 1704 88.069 80.364 33.873 1.00 0.00 WT2 H ATOM 28575 H2 TIP3 1704 89.207 81.291 33.505 1.00 0.00 WT2 H ATOM 28576 OH2 TIP3 1706 39.194 40.477 50.646 1.00 0.00 WT2 O ATOM 28577 H1 TIP3 1706 39.790 40.691 49.928 1.00 0.00 WT2 H ATOM 28578 H2 TIP3 1706 39.155 39.521 50.649 1.00 0.00 WT2 H ATOM 28579 OH2 TIP3 1707 89.836 68.782 61.673 1.00 0.00 WT2 O ATOM 28580 H1 TIP3 1707 90.270 68.970 60.841 1.00 0.00 WT2 H ATOM 28581 H2 TIP3 1707 90.468 68.251 62.159 1.00 0.00 WT2 H ATOM 28582 OH2 TIP3 1708 51.075 41.945 -1.659 1.00 0.00 WT2 O ATOM 28583 H1 TIP3 1708 50.199 42.290 -1.489 1.00 0.00 WT2 H ATOM 28584 H2 TIP3 1708 51.346 41.556 -0.828 1.00 0.00 WT2 H ATOM 28585 OH2 TIP3 1710 82.924 48.985 65.745 1.00 0.00 WT2 O ATOM 28586 H1 TIP3 1710 83.664 49.575 65.884 1.00 0.00 WT2 H ATOM 28587 H2 TIP3 1710 83.127 48.215 66.276 1.00 0.00 WT2 H ATOM 28588 OH2 TIP3 1723 48.249 23.654 51.860 1.00 0.00 WT2 O ATOM 28589 H1 TIP3 1723 47.692 22.932 51.570 1.00 0.00 WT2 H ATOM 28590 H2 TIP3 1723 48.157 23.661 52.813 1.00 0.00 WT2 H ATOM 28591 OH2 TIP3 1725 67.493 84.005 3.438 1.00 0.00 WT2 O ATOM 28592 H1 TIP3 1725 67.650 83.509 2.635 1.00 0.00 WT2 H ATOM 28593 H2 TIP3 1725 66.668 83.657 3.778 1.00 0.00 WT2 H ATOM 28594 OH2 TIP3 1728 57.395 32.480 8.936 1.00 0.00 WT2 O ATOM 28595 H1 TIP3 1728 57.587 33.378 9.204 1.00 0.00 WT2 H ATOM 28596 H2 TIP3 1728 56.580 32.263 9.387 1.00 0.00 WT2 H ATOM 28597 OH2 TIP3 1730 87.351 27.491 5.473 1.00 0.00 WT2 O ATOM 28598 H1 TIP3 1730 87.953 28.161 5.148 1.00 0.00 WT2 H ATOM 28599 H2 TIP3 1730 87.846 26.674 5.412 1.00 0.00 WT2 H ATOM 28600 OH2 TIP3 1731 46.304 47.392 58.598 1.00 0.00 WT2 O ATOM 28601 H1 TIP3 1731 46.012 48.094 59.179 1.00 0.00 WT2 H ATOM 28602 H2 TIP3 1731 46.466 47.826 57.760 1.00 0.00 WT2 H ATOM 28603 OH2 TIP3 1733 65.376 88.970 63.923 1.00 0.00 WT2 O ATOM 28604 H1 TIP3 1733 65.577 88.980 62.988 1.00 0.00 WT2 H ATOM 28605 H2 TIP3 1733 65.111 88.068 64.102 1.00 0.00 WT2 H ATOM 28606 OH2 TIP3 1738 50.575 80.987 -15.645 1.00 0.00 WT2 O ATOM 28607 H1 TIP3 1738 49.701 81.351 -15.504 1.00 0.00 WT2 H ATOM 28608 H2 TIP3 1738 50.668 80.318 -14.967 1.00 0.00 WT2 H ATOM 28609 OH2 TIP3 1744 25.070 29.981 26.311 1.00 0.00 WT2 O ATOM 28610 H1 TIP3 1744 24.778 30.122 25.411 1.00 0.00 WT2 H ATOM 28611 H2 TIP3 1744 24.874 29.060 26.485 1.00 0.00 WT2 H ATOM 28612 OH2 TIP3 1746 57.692 10.064 2.118 1.00 0.00 WT2 O ATOM 28613 H1 TIP3 1746 57.377 10.959 1.988 1.00 0.00 WT2 H ATOM 28614 H2 TIP3 1746 58.630 10.111 1.933 1.00 0.00 WT2 H ATOM 28615 OH2 TIP3 1747 37.208 49.202 -3.784 1.00 0.00 WT2 O ATOM 28616 H1 TIP3 1747 36.931 49.631 -4.594 1.00 0.00 WT2 H ATOM 28617 H2 TIP3 1747 37.877 48.576 -4.061 1.00 0.00 WT2 H ATOM 28618 OH2 TIP3 1748 55.630 94.454 19.035 1.00 0.00 WT2 O ATOM 28619 H1 TIP3 1748 54.686 94.431 19.194 1.00 0.00 WT2 H ATOM 28620 H2 TIP3 1748 55.760 93.887 18.275 1.00 0.00 WT2 H ATOM 28621 OH2 TIP3 1749 56.868 90.133 -7.772 1.00 0.00 WT2 O ATOM 28622 H1 TIP3 1749 56.995 89.295 -8.217 1.00 0.00 WT2 H ATOM 28623 H2 TIP3 1749 57.378 90.056 -6.965 1.00 0.00 WT2 H ATOM 28624 OH2 TIP3 1750 27.645 95.597 30.903 1.00 0.00 WT2 O ATOM 28625 H1 TIP3 1750 28.204 96.367 30.796 1.00 0.00 WT2 H ATOM 28626 H2 TIP3 1750 26.860 95.799 30.393 1.00 0.00 WT2 H ATOM 28627 OH2 TIP3 1751 87.016 93.917 57.462 1.00 0.00 WT2 O ATOM 28628 H1 TIP3 1751 86.611 93.500 58.222 1.00 0.00 WT2 H ATOM 28629 H2 TIP3 1751 86.562 94.756 57.378 1.00 0.00 WT2 H ATOM 28630 OH2 TIP3 1764 49.560 10.628 -9.446 1.00 0.00 WT2 O ATOM 28631 H1 TIP3 1764 48.948 11.342 -9.265 1.00 0.00 WT2 H ATOM 28632 H2 TIP3 1764 49.656 10.175 -8.608 1.00 0.00 WT2 H ATOM 28633 OH2 TIP3 1766 38.145 47.138 14.825 1.00 0.00 WT2 O ATOM 28634 H1 TIP3 1766 38.878 47.130 15.441 1.00 0.00 WT2 H ATOM 28635 H2 TIP3 1766 38.516 47.489 14.015 1.00 0.00 WT2 H ATOM 28636 OH2 TIP3 1767 80.696 51.833 42.471 1.00 0.00 WT2 O ATOM 28637 H1 TIP3 1767 79.878 52.326 42.408 1.00 0.00 WT2 H ATOM 28638 H2 TIP3 1767 80.622 51.157 41.797 1.00 0.00 WT2 H ATOM 28639 OH2 TIP3 1768 39.103 84.249 52.863 1.00 0.00 WT2 O ATOM 28640 H1 TIP3 1768 38.450 84.530 53.504 1.00 0.00 WT2 H ATOM 28641 H2 TIP3 1768 39.807 84.892 52.940 1.00 0.00 WT2 H ATOM 28642 OH2 TIP3 1769 71.366 72.713 31.890 1.00 0.00 WT2 O ATOM 28643 H1 TIP3 1769 70.580 72.968 32.373 1.00 0.00 WT2 H ATOM 28644 H2 TIP3 1769 71.762 73.542 31.621 1.00 0.00 WT2 H ATOM 28645 OH2 TIP3 1770 69.598 4.621 22.968 1.00 0.00 WT2 O ATOM 28646 H1 TIP3 1770 69.004 4.962 23.637 1.00 0.00 WT2 H ATOM 28647 H2 TIP3 1770 69.999 3.852 23.373 1.00 0.00 WT2 H ATOM 28648 OH2 TIP3 1771 79.056 88.279 -7.132 1.00 0.00 WT2 O ATOM 28649 H1 TIP3 1771 78.438 87.875 -6.522 1.00 0.00 WT2 H ATOM 28650 H2 TIP3 1771 78.910 89.220 -7.033 1.00 0.00 WT2 H ATOM 28651 OH2 TIP3 1773 78.047 73.398 48.743 1.00 0.00 WT2 O ATOM 28652 H1 TIP3 1773 77.741 73.115 49.605 1.00 0.00 WT2 H ATOM 28653 H2 TIP3 1773 78.945 73.070 48.687 1.00 0.00 WT2 H ATOM 28654 OH2 TIP3 1784 33.138 93.616 -4.683 1.00 0.00 WT2 O ATOM 28655 H1 TIP3 1784 32.234 93.923 -4.751 1.00 0.00 WT2 H ATOM 28656 H2 TIP3 1784 33.511 93.775 -5.550 1.00 0.00 WT2 H ATOM 28657 OH2 TIP3 1785 68.757 96.300 -11.078 1.00 0.00 WT2 O ATOM 28658 H1 TIP3 1785 67.806 96.380 -11.159 1.00 0.00 WT2 H ATOM 28659 H2 TIP3 1785 68.920 96.327 -10.135 1.00 0.00 WT2 H ATOM 28660 OH2 TIP3 1788 90.105 43.214 45.597 1.00 0.00 WT2 O ATOM 28661 H1 TIP3 1788 90.824 43.301 46.223 1.00 0.00 WT2 H ATOM 28662 H2 TIP3 1788 89.887 42.282 45.611 1.00 0.00 WT2 H ATOM 28663 OH2 TIP3 1789 23.799 53.592 1.414 1.00 0.00 WT2 O ATOM 28664 H1 TIP3 1789 24.210 52.742 1.260 1.00 0.00 WT2 H ATOM 28665 H2 TIP3 1789 23.173 53.690 0.697 1.00 0.00 WT2 H ATOM 28666 OH2 TIP3 1790 57.744 45.248 0.779 1.00 0.00 WT2 O ATOM 28667 H1 TIP3 1790 56.891 44.817 0.716 1.00 0.00 WT2 H ATOM 28668 H2 TIP3 1790 57.994 45.150 1.698 1.00 0.00 WT2 H ATOM 28669 OH2 TIP3 1791 59.958 78.855 64.841 1.00 0.00 WT2 O ATOM 28670 H1 TIP3 1791 60.208 78.349 65.615 1.00 0.00 WT2 H ATOM 28671 H2 TIP3 1791 60.131 78.268 64.105 1.00 0.00 WT2 H ATOM 28672 OH2 TIP3 1792 56.607 26.428 40.173 1.00 0.00 WT2 O ATOM 28673 H1 TIP3 1792 56.335 26.067 41.016 1.00 0.00 WT2 H ATOM 28674 H2 TIP3 1792 57.103 25.722 39.758 1.00 0.00 WT2 H ATOM 28675 OH2 TIP3 1795 55.127 89.756 55.909 1.00 0.00 WT2 O ATOM 28676 H1 TIP3 1795 55.087 90.664 55.608 1.00 0.00 WT2 H ATOM 28677 H2 TIP3 1795 56.002 89.459 55.660 1.00 0.00 WT2 H ATOM 28678 OH2 TIP3 1796 33.841 11.556 -9.689 1.00 0.00 WT2 O ATOM 28679 H1 TIP3 1796 32.993 11.512 -9.246 1.00 0.00 WT2 H ATOM 28680 H2 TIP3 1796 33.824 10.829 -10.312 1.00 0.00 WT2 H ATOM 28681 OH2 TIP3 1810 46.155 18.270 -16.304 1.00 0.00 WT2 O ATOM 28682 H1 TIP3 1810 47.068 18.272 -16.018 1.00 0.00 WT2 H ATOM 28683 H2 TIP3 1810 45.862 19.173 -16.180 1.00 0.00 WT2 H ATOM 28684 OH2 TIP3 1811 29.757 68.985 62.635 1.00 0.00 WT2 O ATOM 28685 H1 TIP3 1811 29.776 69.042 61.679 1.00 0.00 WT2 H ATOM 28686 H2 TIP3 1811 30.624 68.655 62.873 1.00 0.00 WT2 H ATOM 28687 OH2 TIP3 1813 75.841 14.792 -3.261 1.00 0.00 WT2 O ATOM 28688 H1 TIP3 1813 75.118 14.579 -3.852 1.00 0.00 WT2 H ATOM 28689 H2 TIP3 1813 75.452 15.371 -2.606 1.00 0.00 WT2 H ATOM 28690 OH2 TIP3 1814 43.066 35.175 -6.289 1.00 0.00 WT2 O ATOM 28691 H1 TIP3 1814 42.674 34.356 -5.986 1.00 0.00 WT2 H ATOM 28692 H2 TIP3 1814 43.608 35.468 -5.557 1.00 0.00 WT2 H ATOM 28693 OH2 TIP3 1816 23.144 47.611 -14.441 1.00 0.00 WT2 O ATOM 28694 H1 TIP3 1816 22.366 47.216 -14.047 1.00 0.00 WT2 H ATOM 28695 H2 TIP3 1816 23.032 47.474 -15.382 1.00 0.00 WT2 H ATOM 28696 OH2 TIP3 1824 31.202 56.195 65.142 1.00 0.00 WT2 O ATOM 28697 H1 TIP3 1824 31.016 56.818 65.844 1.00 0.00 WT2 H ATOM 28698 H2 TIP3 1824 30.363 55.769 64.970 1.00 0.00 WT2 H ATOM 28699 OH2 TIP3 1829 84.544 66.460 62.921 1.00 0.00 WT2 O ATOM 28700 H1 TIP3 1829 84.891 67.329 62.719 1.00 0.00 WT2 H ATOM 28701 H2 TIP3 1829 83.850 66.323 62.276 1.00 0.00 WT2 H ATOM 28702 OH2 TIP3 1830 33.112 43.855 -3.773 1.00 0.00 WT2 O ATOM 28703 H1 TIP3 1830 32.466 43.369 -3.261 1.00 0.00 WT2 H ATOM 28704 H2 TIP3 1830 33.021 44.761 -3.476 1.00 0.00 WT2 H ATOM 28705 OH2 TIP3 1831 47.806 6.746 65.176 1.00 0.00 WT2 O ATOM 28706 H1 TIP3 1831 46.874 6.539 65.106 1.00 0.00 WT2 H ATOM 28707 H2 TIP3 1831 48.222 5.909 65.386 1.00 0.00 WT2 H ATOM 28708 OH2 TIP3 1832 40.726 85.324 39.094 1.00 0.00 WT2 O ATOM 28709 H1 TIP3 1832 41.149 84.585 39.530 1.00 0.00 WT2 H ATOM 28710 H2 TIP3 1832 40.998 85.252 38.179 1.00 0.00 WT2 H ATOM 28711 OH2 TIP3 1835 77.188 51.137 33.952 1.00 0.00 WT2 O ATOM 28712 H1 TIP3 1835 76.311 51.412 33.687 1.00 0.00 WT2 H ATOM 28713 H2 TIP3 1835 77.759 51.852 33.669 1.00 0.00 WT2 H ATOM 28714 OH2 TIP3 1837 72.404 59.908 26.355 1.00 0.00 WT2 O ATOM 28715 H1 TIP3 1837 73.042 59.679 27.031 1.00 0.00 WT2 H ATOM 28716 H2 TIP3 1837 71.590 59.493 26.642 1.00 0.00 WT2 H ATOM 28717 OH2 TIP3 1847 38.877 24.182 52.146 1.00 0.00 WT2 O ATOM 28718 H1 TIP3 1847 39.306 25.024 52.296 1.00 0.00 WT2 H ATOM 28719 H2 TIP3 1847 38.189 24.373 51.508 1.00 0.00 WT2 H ATOM 28720 OH2 TIP3 1850 89.061 2.323 39.965 1.00 0.00 WT2 O ATOM 28721 H1 TIP3 1850 89.407 2.262 39.074 1.00 0.00 WT2 H ATOM 28722 H2 TIP3 1850 89.390 3.159 40.294 1.00 0.00 WT2 H ATOM 28723 OH2 TIP3 1851 58.820 31.087 49.470 1.00 0.00 WT2 O ATOM 28724 H1 TIP3 1851 58.350 31.114 48.636 1.00 0.00 WT2 H ATOM 28725 H2 TIP3 1851 59.412 31.838 49.436 1.00 0.00 WT2 H ATOM 28726 OH2 TIP3 1852 46.664 75.578 -19.749 1.00 0.00 WT2 O ATOM 28727 H1 TIP3 1852 46.641 75.318 -20.670 1.00 0.00 WT2 H ATOM 28728 H2 TIP3 1852 47.003 74.809 -19.290 1.00 0.00 WT2 H ATOM 28729 OH2 TIP3 1853 61.992 3.940 -14.846 1.00 0.00 WT2 O ATOM 28730 H1 TIP3 1853 62.514 3.610 -14.116 1.00 0.00 WT2 H ATOM 28731 H2 TIP3 1853 62.536 4.622 -15.241 1.00 0.00 WT2 H ATOM 28732 OH2 TIP3 1854 20.752 64.187 44.853 1.00 0.00 WT2 O ATOM 28733 H1 TIP3 1854 20.025 63.706 44.458 1.00 0.00 WT2 H ATOM 28734 H2 TIP3 1854 21.519 63.637 44.692 1.00 0.00 WT2 H ATOM 28735 OH2 TIP3 1855 70.146 88.092 59.537 1.00 0.00 WT2 O ATOM 28736 H1 TIP3 1855 69.890 87.687 60.366 1.00 0.00 WT2 H ATOM 28737 H2 TIP3 1855 70.167 87.367 58.912 1.00 0.00 WT2 H ATOM 28738 OH2 TIP3 1856 87.436 2.399 -9.432 1.00 0.00 WT2 O ATOM 28739 H1 TIP3 1856 87.663 1.998 -10.271 1.00 0.00 WT2 H ATOM 28740 H2 TIP3 1856 86.481 2.455 -9.444 1.00 0.00 WT2 H ATOM 28741 OH2 TIP3 1870 67.015 95.922 0.325 1.00 0.00 WT2 O ATOM 28742 H1 TIP3 1870 66.918 95.908 -0.627 1.00 0.00 WT2 H ATOM 28743 H2 TIP3 1870 66.906 96.843 0.564 1.00 0.00 WT2 H ATOM 28744 OH2 TIP3 1871 83.755 85.878 27.927 1.00 0.00 WT2 O ATOM 28745 H1 TIP3 1871 83.433 85.029 28.232 1.00 0.00 WT2 H ATOM 28746 H2 TIP3 1871 82.965 86.409 27.820 1.00 0.00 WT2 H ATOM 28747 OH2 TIP3 1872 64.251 12.971 6.946 1.00 0.00 WT2 O ATOM 28748 H1 TIP3 1872 64.260 12.218 7.538 1.00 0.00 WT2 H ATOM 28749 H2 TIP3 1872 63.537 13.521 7.267 1.00 0.00 WT2 H ATOM 28750 OH2 TIP3 1873 39.520 27.286 32.659 1.00 0.00 WT2 O ATOM 28751 H1 TIP3 1873 40.352 26.839 32.817 1.00 0.00 WT2 H ATOM 28752 H2 TIP3 1873 38.911 26.584 32.426 1.00 0.00 WT2 H ATOM 28753 OH2 TIP3 1875 46.810 9.254 5.927 1.00 0.00 WT2 O ATOM 28754 H1 TIP3 1875 47.045 8.514 5.367 1.00 0.00 WT2 H ATOM 28755 H2 TIP3 1875 47.421 9.203 6.661 1.00 0.00 WT2 H ATOM 28756 OH2 TIP3 1877 69.763 32.836 58.586 1.00 0.00 WT2 O ATOM 28757 H1 TIP3 1877 70.071 33.413 57.886 1.00 0.00 WT2 H ATOM 28758 H2 TIP3 1877 69.081 33.341 59.029 1.00 0.00 WT2 H ATOM 28759 OH2 TIP3 1881 63.201 23.551 51.469 1.00 0.00 WT2 O ATOM 28760 H1 TIP3 1881 63.673 23.537 50.636 1.00 0.00 WT2 H ATOM 28761 H2 TIP3 1881 62.276 23.551 51.220 1.00 0.00 WT2 H ATOM 28762 OH2 TIP3 1885 30.498 69.158 13.406 1.00 0.00 WT2 O ATOM 28763 H1 TIP3 1885 30.705 68.500 12.742 1.00 0.00 WT2 H ATOM 28764 H2 TIP3 1885 31.114 69.871 13.237 1.00 0.00 WT2 H ATOM 28765 OH2 TIP3 1891 47.970 16.564 -8.492 1.00 0.00 WT2 O ATOM 28766 H1 TIP3 1891 47.731 17.143 -9.215 1.00 0.00 WT2 H ATOM 28767 H2 TIP3 1891 47.405 15.799 -8.600 1.00 0.00 WT2 H ATOM 28768 OH2 TIP3 1892 84.103 87.938 30.545 1.00 0.00 WT2 O ATOM 28769 H1 TIP3 1892 84.242 87.035 30.831 1.00 0.00 WT2 H ATOM 28770 H2 TIP3 1892 83.251 88.176 30.910 1.00 0.00 WT2 H ATOM 28771 OH2 TIP3 1894 86.978 6.595 45.095 1.00 0.00 WT2 O ATOM 28772 H1 TIP3 1894 86.329 6.218 44.501 1.00 0.00 WT2 H ATOM 28773 H2 TIP3 1894 87.605 5.888 45.246 1.00 0.00 WT2 H ATOM 28774 OH2 TIP3 1895 76.197 6.310 5.210 1.00 0.00 WT2 O ATOM 28775 H1 TIP3 1895 76.416 7.146 5.621 1.00 0.00 WT2 H ATOM 28776 H2 TIP3 1895 76.924 5.732 5.441 1.00 0.00 WT2 H ATOM 28777 OH2 TIP3 1896 45.039 40.375 -12.878 1.00 0.00 WT2 O ATOM 28778 H1 TIP3 1896 44.391 41.046 -12.663 1.00 0.00 WT2 H ATOM 28779 H2 TIP3 1896 45.810 40.612 -12.363 1.00 0.00 WT2 H ATOM 28780 OH2 TIP3 1897 86.934 7.559 -5.282 1.00 0.00 WT2 O ATOM 28781 H1 TIP3 1897 87.394 7.229 -6.054 1.00 0.00 WT2 H ATOM 28782 H2 TIP3 1897 86.007 7.507 -5.515 1.00 0.00 WT2 H ATOM 28783 OH2 TIP3 1911 22.159 47.290 62.556 1.00 0.00 WT2 O ATOM 28784 H1 TIP3 1911 23.075 47.375 62.823 1.00 0.00 WT2 H ATOM 28785 H2 TIP3 1911 21.669 47.290 63.378 1.00 0.00 WT2 H ATOM 28786 OH2 TIP3 1912 39.247 81.748 25.015 1.00 0.00 WT2 O ATOM 28787 H1 TIP3 1912 39.567 80.978 24.545 1.00 0.00 WT2 H ATOM 28788 H2 TIP3 1912 38.465 82.016 24.533 1.00 0.00 WT2 H ATOM 28789 OH2 TIP3 1913 88.984 9.170 40.622 1.00 0.00 WT2 O ATOM 28790 H1 TIP3 1913 88.521 9.246 41.456 1.00 0.00 WT2 H ATOM 28791 H2 TIP3 1913 89.854 8.848 40.859 1.00 0.00 WT2 H ATOM 28792 OH2 TIP3 1914 69.170 3.165 20.357 1.00 0.00 WT2 O ATOM 28793 H1 TIP3 1914 68.348 2.701 20.513 1.00 0.00 WT2 H ATOM 28794 H2 TIP3 1914 69.212 3.821 21.053 1.00 0.00 WT2 H ATOM 28795 OH2 TIP3 1915 66.539 76.012 34.079 1.00 0.00 WT2 O ATOM 28796 H1 TIP3 1915 66.575 75.546 33.243 1.00 0.00 WT2 H ATOM 28797 H2 TIP3 1915 67.131 76.755 33.964 1.00 0.00 WT2 H ATOM 28798 OH2 TIP3 1917 24.317 1.865 -11.323 1.00 0.00 WT2 O ATOM 28799 H1 TIP3 1917 25.215 1.801 -10.997 1.00 0.00 WT2 H ATOM 28800 H2 TIP3 1917 24.410 2.178 -12.223 1.00 0.00 WT2 H ATOM 28801 OH2 TIP3 1918 42.531 2.915 -13.897 1.00 0.00 WT2 O ATOM 28802 H1 TIP3 1918 42.645 3.699 -13.359 1.00 0.00 WT2 H ATOM 28803 H2 TIP3 1918 41.643 2.991 -14.246 1.00 0.00 WT2 H ATOM 28804 OH2 TIP3 1919 87.918 53.883 31.281 1.00 0.00 WT2 O ATOM 28805 H1 TIP3 1919 88.426 54.693 31.257 1.00 0.00 WT2 H ATOM 28806 H2 TIP3 1919 88.323 53.326 30.616 1.00 0.00 WT2 H ATOM 28807 OH2 TIP3 1931 38.997 22.925 -17.556 1.00 0.00 WT2 O ATOM 28808 H1 TIP3 1931 39.311 23.828 -17.601 1.00 0.00 WT2 H ATOM 28809 H2 TIP3 1931 38.401 22.915 -16.807 1.00 0.00 WT2 H ATOM 28810 OH2 TIP3 1934 55.732 60.781 63.631 1.00 0.00 WT2 O ATOM 28811 H1 TIP3 1934 54.807 60.544 63.701 1.00 0.00 WT2 H ATOM 28812 H2 TIP3 1934 56.202 59.958 63.768 1.00 0.00 WT2 H ATOM 28813 OH2 TIP3 1935 32.123 56.106 50.378 1.00 0.00 WT2 O ATOM 28814 H1 TIP3 1935 32.711 56.577 50.967 1.00 0.00 WT2 H ATOM 28815 H2 TIP3 1935 31.261 56.184 50.787 1.00 0.00 WT2 H ATOM 28816 OH2 TIP3 1936 78.841 16.795 40.195 1.00 0.00 WT2 O ATOM 28817 H1 TIP3 1936 79.134 16.064 40.739 1.00 0.00 WT2 H ATOM 28818 H2 TIP3 1936 78.399 17.386 40.804 1.00 0.00 WT2 H ATOM 28819 OH2 TIP3 1937 35.825 19.267 -18.497 1.00 0.00 WT2 O ATOM 28820 H1 TIP3 1937 35.040 19.336 -17.953 1.00 0.00 WT2 H ATOM 28821 H2 TIP3 1937 36.319 18.542 -18.116 1.00 0.00 WT2 H ATOM 28822 OH2 TIP3 1938 22.428 85.207 60.381 1.00 0.00 WT2 O ATOM 28823 H1 TIP3 1938 22.656 84.832 61.232 1.00 0.00 WT2 H ATOM 28824 H2 TIP3 1938 23.183 85.747 60.148 1.00 0.00 WT2 H ATOM 28825 OH2 TIP3 1950 55.910 29.788 1.089 1.00 0.00 WT2 O ATOM 28826 H1 TIP3 1950 56.696 29.729 0.545 1.00 0.00 WT2 H ATOM 28827 H2 TIP3 1950 56.009 30.614 1.563 1.00 0.00 WT2 H ATOM 28828 OH2 TIP3 1952 28.987 27.680 53.915 1.00 0.00 WT2 O ATOM 28829 H1 TIP3 1952 28.888 28.547 54.307 1.00 0.00 WT2 H ATOM 28830 H2 TIP3 1952 28.800 27.814 52.986 1.00 0.00 WT2 H ATOM 28831 OH2 TIP3 1953 88.573 22.248 57.956 1.00 0.00 WT2 O ATOM 28832 H1 TIP3 1953 88.220 22.014 57.098 1.00 0.00 WT2 H ATOM 28833 H2 TIP3 1953 89.255 22.892 57.767 1.00 0.00 WT2 H ATOM 28834 OH2 TIP3 1954 66.545 91.831 66.825 1.00 0.00 WT2 O ATOM 28835 H1 TIP3 1954 66.307 92.332 67.605 1.00 0.00 WT2 H ATOM 28836 H2 TIP3 1954 67.226 92.354 66.402 1.00 0.00 WT2 H ATOM 28837 OH2 TIP3 1955 36.044 45.070 19.660 1.00 0.00 WT2 O ATOM 28838 H1 TIP3 1955 36.979 45.014 19.462 1.00 0.00 WT2 H ATOM 28839 H2 TIP3 1955 35.656 44.324 19.203 1.00 0.00 WT2 H ATOM 28840 OH2 TIP3 1959 38.998 83.900 55.679 1.00 0.00 WT2 O ATOM 28841 H1 TIP3 1959 39.346 84.790 55.737 1.00 0.00 WT2 H ATOM 28842 H2 TIP3 1959 38.063 84.020 55.510 1.00 0.00 WT2 H ATOM 28843 OH2 TIP3 1976 20.679 78.380 22.585 1.00 0.00 WT2 O ATOM 28844 H1 TIP3 1976 20.857 77.697 23.231 1.00 0.00 WT2 H ATOM 28845 H2 TIP3 1976 20.496 77.902 21.776 1.00 0.00 WT2 H ATOM 28846 OH2 TIP3 1977 32.200 64.317 46.528 1.00 0.00 WT2 O ATOM 28847 H1 TIP3 1977 32.135 63.372 46.666 1.00 0.00 WT2 H ATOM 28848 H2 TIP3 1977 33.090 64.451 46.203 1.00 0.00 WT2 H ATOM 28849 OH2 TIP3 1978 43.685 50.615 -5.610 1.00 0.00 WT2 O ATOM 28850 H1 TIP3 1978 44.415 50.161 -5.190 1.00 0.00 WT2 H ATOM 28851 H2 TIP3 1978 44.044 51.466 -5.862 1.00 0.00 WT2 H ATOM 28852 OH2 TIP3 1979 88.703 10.787 56.664 1.00 0.00 WT2 O ATOM 28853 H1 TIP3 1979 88.052 11.437 56.401 1.00 0.00 WT2 H ATOM 28854 H2 TIP3 1979 89.503 11.292 56.807 1.00 0.00 WT2 H ATOM 28855 OH2 TIP3 1983 32.048 11.698 39.695 1.00 0.00 WT2 O ATOM 28856 H1 TIP3 1983 32.735 11.839 39.043 1.00 0.00 WT2 H ATOM 28857 H2 TIP3 1983 32.208 12.366 40.361 1.00 0.00 WT2 H ATOM 28858 OH2 TIP3 1993 70.235 79.826 24.139 1.00 0.00 WT2 O ATOM 28859 H1 TIP3 1993 70.368 79.051 23.592 1.00 0.00 WT2 H ATOM 28860 H2 TIP3 1993 70.816 80.487 23.763 1.00 0.00 WT2 H ATOM 28861 OH2 TIP3 1998 78.099 23.026 48.310 1.00 0.00 WT2 O ATOM 28862 H1 TIP3 1998 78.929 22.741 48.691 1.00 0.00 WT2 H ATOM 28863 H2 TIP3 1998 77.472 22.349 48.565 1.00 0.00 WT2 H ATOM 28864 OH2 TIP3 1999 40.541 56.227 -9.619 1.00 0.00 WT2 O ATOM 28865 H1 TIP3 1999 40.666 56.373 -8.681 1.00 0.00 WT2 H ATOM 28866 H2 TIP3 1999 39.784 56.766 -9.847 1.00 0.00 WT2 H ATOM 28867 OH2 TIP3 2000 39.580 34.083 52.305 1.00 0.00 WT2 O ATOM 28868 H1 TIP3 2000 39.555 33.141 52.473 1.00 0.00 WT2 H ATOM 28869 H2 TIP3 2000 39.199 34.180 51.432 1.00 0.00 WT2 H ATOM 28870 OH2 TIP3 2001 43.246 36.810 -8.411 1.00 0.00 WT2 O ATOM 28871 H1 TIP3 2001 42.333 36.945 -8.664 1.00 0.00 WT2 H ATOM 28872 H2 TIP3 2001 43.204 36.196 -7.678 1.00 0.00 WT2 H ATOM 28873 OH2 TIP3 2002 38.352 25.322 40.994 1.00 0.00 WT2 O ATOM 28874 H1 TIP3 2002 39.030 25.162 40.338 1.00 0.00 WT2 H ATOM 28875 H2 TIP3 2002 38.071 26.223 40.834 1.00 0.00 WT2 H ATOM 28876 OH2 TIP3 2014 53.413 3.448 35.835 1.00 0.00 WT2 O ATOM 28877 H1 TIP3 2014 54.084 3.069 36.402 1.00 0.00 WT2 H ATOM 28878 H2 TIP3 2014 53.270 4.327 36.186 1.00 0.00 WT2 H ATOM 28879 OH2 TIP3 2016 76.781 36.089 44.951 1.00 0.00 WT2 O ATOM 28880 H1 TIP3 2016 77.542 35.691 45.372 1.00 0.00 WT2 H ATOM 28881 H2 TIP3 2016 76.752 36.980 45.299 1.00 0.00 WT2 H ATOM 28882 OH2 TIP3 2018 31.347 74.185 43.043 1.00 0.00 WT2 O ATOM 28883 H1 TIP3 2018 32.173 73.701 43.027 1.00 0.00 WT2 H ATOM 28884 H2 TIP3 2018 31.222 74.475 42.139 1.00 0.00 WT2 H ATOM 28885 OH2 TIP3 2019 74.744 96.396 57.613 1.00 0.00 WT2 O ATOM 28886 H1 TIP3 2019 75.695 96.286 57.580 1.00 0.00 WT2 H ATOM 28887 H2 TIP3 2019 74.471 96.403 56.696 1.00 0.00 WT2 H ATOM 28888 OH2 TIP3 2021 54.746 35.185 10.599 1.00 0.00 WT2 O ATOM 28889 H1 TIP3 2021 54.999 35.774 11.310 1.00 0.00 WT2 H ATOM 28890 H2 TIP3 2021 53.797 35.094 10.689 1.00 0.00 WT2 H ATOM 28891 OH2 TIP3 2022 35.736 81.408 -10.277 1.00 0.00 WT2 O ATOM 28892 H1 TIP3 2022 35.123 81.731 -9.617 1.00 0.00 WT2 H ATOM 28893 H2 TIP3 2022 36.383 80.907 -9.780 1.00 0.00 WT2 H ATOM 28894 OH2 TIP3 2024 80.298 53.139 64.194 1.00 0.00 WT2 O ATOM 28895 H1 TIP3 2024 79.599 53.026 64.838 1.00 0.00 WT2 H ATOM 28896 H2 TIP3 2024 79.879 52.958 63.352 1.00 0.00 WT2 H ATOM 28897 OH2 TIP3 2034 43.379 53.412 44.566 1.00 0.00 WT2 O ATOM 28898 H1 TIP3 2034 43.216 54.158 43.989 1.00 0.00 WT2 H ATOM 28899 H2 TIP3 2034 43.602 52.694 43.974 1.00 0.00 WT2 H ATOM 28900 OH2 TIP3 2037 65.811 28.126 45.515 1.00 0.00 WT2 O ATOM 28901 H1 TIP3 2037 65.144 28.519 46.077 1.00 0.00 WT2 H ATOM 28902 H2 TIP3 2037 65.326 27.811 44.751 1.00 0.00 WT2 H ATOM 28903 OH2 TIP3 2038 88.236 47.359 61.193 1.00 0.00 WT2 O ATOM 28904 H1 TIP3 2038 88.383 46.995 60.320 1.00 0.00 WT2 H ATOM 28905 H2 TIP3 2038 87.523 46.832 61.556 1.00 0.00 WT2 H ATOM 28906 OH2 TIP3 2039 22.752 94.783 11.020 1.00 0.00 WT2 O ATOM 28907 H1 TIP3 2039 22.659 93.830 10.991 1.00 0.00 WT2 H ATOM 28908 H2 TIP3 2039 21.857 95.113 10.944 1.00 0.00 WT2 H ATOM 28909 OH2 TIP3 2040 40.588 17.696 34.622 1.00 0.00 WT2 O ATOM 28910 H1 TIP3 2040 41.277 17.511 35.260 1.00 0.00 WT2 H ATOM 28911 H2 TIP3 2040 41.030 17.666 33.774 1.00 0.00 WT2 H ATOM 28912 OH2 TIP3 2042 46.885 63.537 14.643 1.00 0.00 WT2 O ATOM 28913 H1 TIP3 2042 47.317 62.726 14.914 1.00 0.00 WT2 H ATOM 28914 H2 TIP3 2042 47.540 64.219 14.793 1.00 0.00 WT2 H ATOM 28915 OH2 TIP3 2043 57.020 60.305 36.807 1.00 0.00 WT2 O ATOM 28916 H1 TIP3 2043 56.162 60.537 37.161 1.00 0.00 WT2 H ATOM 28917 H2 TIP3 2043 56.833 59.946 35.939 1.00 0.00 WT2 H ATOM 28918 OH2 TIP3 2044 55.385 86.937 -2.265 1.00 0.00 WT2 O ATOM 28919 H1 TIP3 2044 54.615 86.689 -2.776 1.00 0.00 WT2 H ATOM 28920 H2 TIP3 2044 55.694 87.746 -2.674 1.00 0.00 WT2 H ATOM 28921 OH2 TIP3 2046 50.966 31.052 -11.359 1.00 0.00 WT2 O ATOM 28922 H1 TIP3 2046 51.834 31.183 -10.977 1.00 0.00 WT2 H ATOM 28923 H2 TIP3 2046 50.358 31.337 -10.677 1.00 0.00 WT2 H ATOM 28924 OH2 TIP3 2059 63.950 49.371 -10.066 1.00 0.00 WT2 O ATOM 28925 H1 TIP3 2059 63.326 49.323 -9.342 1.00 0.00 WT2 H ATOM 28926 H2 TIP3 2059 64.801 49.204 -9.660 1.00 0.00 WT2 H ATOM 28927 OH2 TIP3 2060 55.464 38.259 59.579 1.00 0.00 WT2 O ATOM 28928 H1 TIP3 2060 54.651 37.892 59.927 1.00 0.00 WT2 H ATOM 28929 H2 TIP3 2060 55.214 39.122 59.247 1.00 0.00 WT2 H ATOM 28930 OH2 TIP3 2061 30.444 43.800 3.266 1.00 0.00 WT2 O ATOM 28931 H1 TIP3 2061 29.602 43.651 3.697 1.00 0.00 WT2 H ATOM 28932 H2 TIP3 2061 31.079 43.343 3.817 1.00 0.00 WT2 H ATOM 28933 OH2 TIP3 2062 58.070 64.268 46.766 1.00 0.00 WT2 O ATOM 28934 H1 TIP3 2062 57.796 64.094 45.866 1.00 0.00 WT2 H ATOM 28935 H2 TIP3 2062 57.262 64.504 47.221 1.00 0.00 WT2 H ATOM 28936 OH2 TIP3 2063 37.826 44.035 59.128 1.00 0.00 WT2 O ATOM 28937 H1 TIP3 2063 38.110 43.501 59.870 1.00 0.00 WT2 H ATOM 28938 H2 TIP3 2063 37.279 43.449 58.605 1.00 0.00 WT2 H ATOM 28939 OH2 TIP3 2064 25.052 23.052 60.926 1.00 0.00 WT2 O ATOM 28940 H1 TIP3 2064 24.931 24.002 60.933 1.00 0.00 WT2 H ATOM 28941 H2 TIP3 2064 25.726 22.901 60.263 1.00 0.00 WT2 H ATOM 28942 OH2 TIP3 2066 51.963 81.444 30.295 1.00 0.00 WT2 O ATOM 28943 H1 TIP3 2066 51.525 80.886 30.938 1.00 0.00 WT2 H ATOM 28944 H2 TIP3 2066 52.187 80.852 29.577 1.00 0.00 WT2 H ATOM 28945 OH2 TIP3 2079 69.290 29.680 51.158 1.00 0.00 WT2 O ATOM 28946 H1 TIP3 2079 69.735 30.467 51.473 1.00 0.00 WT2 H ATOM 28947 H2 TIP3 2079 68.782 29.977 50.404 1.00 0.00 WT2 H ATOM 28948 OH2 TIP3 2081 61.004 50.061 57.492 1.00 0.00 WT2 O ATOM 28949 H1 TIP3 2081 61.059 49.890 56.552 1.00 0.00 WT2 H ATOM 28950 H2 TIP3 2081 61.334 50.954 57.592 1.00 0.00 WT2 H ATOM 28951 OH2 TIP3 2082 40.988 56.642 -14.698 1.00 0.00 WT2 O ATOM 28952 H1 TIP3 2082 41.570 56.401 -13.978 1.00 0.00 WT2 H ATOM 28953 H2 TIP3 2082 41.244 57.536 -14.924 1.00 0.00 WT2 H ATOM 28954 OH2 TIP3 2083 48.367 88.985 22.829 1.00 0.00 WT2 O ATOM 28955 H1 TIP3 2083 48.287 88.146 22.376 1.00 0.00 WT2 H ATOM 28956 H2 TIP3 2083 47.785 88.907 23.585 1.00 0.00 WT2 H ATOM 28957 OH2 TIP3 2084 23.906 69.665 50.602 1.00 0.00 WT2 O ATOM 28958 H1 TIP3 2084 23.125 69.797 50.064 1.00 0.00 WT2 H ATOM 28959 H2 TIP3 2084 24.564 70.243 50.215 1.00 0.00 WT2 H ATOM 28960 OH2 TIP3 2088 41.612 87.391 30.705 1.00 0.00 WT2 O ATOM 28961 H1 TIP3 2088 40.952 88.002 31.033 1.00 0.00 WT2 H ATOM 28962 H2 TIP3 2088 42.033 87.047 31.493 1.00 0.00 WT2 H ATOM 28963 OH2 TIP3 2101 23.753 6.101 50.072 1.00 0.00 WT2 O ATOM 28964 H1 TIP3 2101 24.203 5.260 49.987 1.00 0.00 WT2 H ATOM 28965 H2 TIP3 2101 24.028 6.600 49.303 1.00 0.00 WT2 H ATOM 28966 OH2 TIP3 2102 62.455 92.144 3.629 1.00 0.00 WT2 O ATOM 28967 H1 TIP3 2102 61.587 92.292 4.004 1.00 0.00 WT2 H ATOM 28968 H2 TIP3 2102 62.298 92.046 2.690 1.00 0.00 WT2 H ATOM 28969 OH2 TIP3 2103 88.900 79.249 63.170 1.00 0.00 WT2 O ATOM 28970 H1 TIP3 2103 88.930 78.668 63.931 1.00 0.00 WT2 H ATOM 28971 H2 TIP3 2103 88.372 78.776 62.527 1.00 0.00 WT2 H ATOM 28972 OH2 TIP3 2104 21.047 39.833 61.153 1.00 0.00 WT2 O ATOM 28973 H1 TIP3 2104 20.197 39.719 61.579 1.00 0.00 WT2 H ATOM 28974 H2 TIP3 2104 21.679 39.821 61.872 1.00 0.00 WT2 H ATOM 28975 OH2 TIP3 2105 81.106 3.616 60.221 1.00 0.00 WT2 O ATOM 28976 H1 TIP3 2105 80.979 4.158 59.442 1.00 0.00 WT2 H ATOM 28977 H2 TIP3 2105 80.220 3.373 60.491 1.00 0.00 WT2 H ATOM 28978 OH2 TIP3 2106 81.460 69.535 47.886 1.00 0.00 WT2 O ATOM 28979 H1 TIP3 2106 80.968 69.097 47.191 1.00 0.00 WT2 H ATOM 28980 H2 TIP3 2106 82.021 68.851 48.251 1.00 0.00 WT2 H ATOM 28981 OH2 TIP3 2108 35.444 37.326 28.780 1.00 0.00 WT2 O ATOM 28982 H1 TIP3 2108 36.180 37.333 29.392 1.00 0.00 WT2 H ATOM 28983 H2 TIP3 2108 35.376 38.232 28.477 1.00 0.00 WT2 H ATOM 28984 OH2 TIP3 2122 55.324 73.041 40.931 1.00 0.00 WT2 O ATOM 28985 H1 TIP3 2122 55.401 73.311 40.016 1.00 0.00 WT2 H ATOM 28986 H2 TIP3 2122 54.463 73.361 41.203 1.00 0.00 WT2 H ATOM 28987 OH2 TIP3 2123 31.829 86.683 53.295 1.00 0.00 WT2 O ATOM 28988 H1 TIP3 2123 31.249 85.944 53.480 1.00 0.00 WT2 H ATOM 28989 H2 TIP3 2123 31.240 87.432 53.199 1.00 0.00 WT2 H ATOM 28990 OH2 TIP3 2124 42.329 77.965 -16.040 1.00 0.00 WT2 O ATOM 28991 H1 TIP3 2124 42.180 77.175 -15.519 1.00 0.00 WT2 H ATOM 28992 H2 TIP3 2124 41.848 77.810 -16.853 1.00 0.00 WT2 H ATOM 28993 OH2 TIP3 2125 23.543 18.669 -4.665 1.00 0.00 WT2 O ATOM 28994 H1 TIP3 2125 24.347 18.349 -4.255 1.00 0.00 WT2 H ATOM 28995 H2 TIP3 2125 23.844 19.246 -5.367 1.00 0.00 WT2 H ATOM 28996 OH2 TIP3 2126 70.261 77.817 1.716 1.00 0.00 WT2 O ATOM 28997 H1 TIP3 2126 69.999 77.669 2.624 1.00 0.00 WT2 H ATOM 28998 H2 TIP3 2126 69.435 77.887 1.237 1.00 0.00 WT2 H ATOM 28999 OH2 TIP3 2128 54.444 45.940 37.867 1.00 0.00 WT2 O ATOM 29000 H1 TIP3 2128 53.927 46.450 37.243 1.00 0.00 WT2 H ATOM 29001 H2 TIP3 2128 54.862 45.263 37.334 1.00 0.00 WT2 H ATOM 29002 OH2 TIP3 2129 75.569 35.895 22.936 1.00 0.00 WT2 O ATOM 29003 H1 TIP3 2129 75.459 35.886 21.985 1.00 0.00 WT2 H ATOM 29004 H2 TIP3 2129 74.677 35.883 23.281 1.00 0.00 WT2 H ATOM 29005 OH2 TIP3 2131 42.425 44.438 43.533 1.00 0.00 WT2 O ATOM 29006 H1 TIP3 2131 42.471 45.390 43.450 1.00 0.00 WT2 H ATOM 29007 H2 TIP3 2131 41.807 44.167 42.854 1.00 0.00 WT2 H ATOM 29008 OH2 TIP3 2143 34.669 52.160 50.450 1.00 0.00 WT2 O ATOM 29009 H1 TIP3 2143 35.237 52.930 50.459 1.00 0.00 WT2 H ATOM 29010 H2 TIP3 2143 33.782 52.515 50.514 1.00 0.00 WT2 H ATOM 29011 OH2 TIP3 2146 48.142 56.628 45.393 1.00 0.00 WT2 O ATOM 29012 H1 TIP3 2146 48.755 56.942 46.058 1.00 0.00 WT2 H ATOM 29013 H2 TIP3 2146 47.302 57.013 45.641 1.00 0.00 WT2 H ATOM 29014 OH2 TIP3 2148 22.434 76.404 40.217 1.00 0.00 WT2 O ATOM 29015 H1 TIP3 2148 22.335 75.837 39.452 1.00 0.00 WT2 H ATOM 29016 H2 TIP3 2148 23.018 75.919 40.801 1.00 0.00 WT2 H ATOM 29017 OH2 TIP3 2150 34.924 46.802 -15.645 1.00 0.00 WT2 O ATOM 29018 H1 TIP3 2150 34.624 47.621 -15.252 1.00 0.00 WT2 H ATOM 29019 H2 TIP3 2150 34.119 46.334 -15.868 1.00 0.00 WT2 H ATOM 29020 OH2 TIP3 2152 26.856 89.282 16.306 1.00 0.00 WT2 O ATOM 29021 H1 TIP3 2152 26.798 89.960 15.632 1.00 0.00 WT2 H ATOM 29022 H2 TIP3 2152 27.783 89.261 16.546 1.00 0.00 WT2 H ATOM 29023 OH2 TIP3 2163 43.849 81.409 59.863 1.00 0.00 WT2 O ATOM 29024 H1 TIP3 2163 43.031 80.959 60.072 1.00 0.00 WT2 H ATOM 29025 H2 TIP3 2163 44.489 80.705 59.757 1.00 0.00 WT2 H ATOM 29026 OH2 TIP3 2164 39.298 45.766 61.435 1.00 0.00 WT2 O ATOM 29027 H1 TIP3 2164 39.755 46.546 61.120 1.00 0.00 WT2 H ATOM 29028 H2 TIP3 2164 39.972 45.086 61.455 1.00 0.00 WT2 H ATOM 29029 OH2 TIP3 2165 51.184 26.996 50.843 1.00 0.00 WT2 O ATOM 29030 H1 TIP3 2165 50.373 26.647 50.473 1.00 0.00 WT2 H ATOM 29031 H2 TIP3 2165 51.038 26.990 51.789 1.00 0.00 WT2 H ATOM 29032 OH2 TIP3 2166 27.957 43.420 -11.310 1.00 0.00 WT2 O ATOM 29033 H1 TIP3 2166 27.938 42.887 -10.515 1.00 0.00 WT2 H ATOM 29034 H2 TIP3 2166 27.521 44.235 -11.062 1.00 0.00 WT2 H ATOM 29035 OH2 TIP3 2167 33.495 20.237 66.888 1.00 0.00 WT2 O ATOM 29036 H1 TIP3 2167 33.233 20.515 67.766 1.00 0.00 WT2 H ATOM 29037 H2 TIP3 2167 34.441 20.105 66.951 1.00 0.00 WT2 H ATOM 29038 OH2 TIP3 2168 43.051 2.767 -19.047 1.00 0.00 WT2 O ATOM 29039 H1 TIP3 2168 43.908 2.784 -18.622 1.00 0.00 WT2 H ATOM 29040 H2 TIP3 2168 42.828 1.838 -19.102 1.00 0.00 WT2 H ATOM 29041 OH2 TIP3 2169 75.526 54.185 -17.548 1.00 0.00 WT2 O ATOM 29042 H1 TIP3 2169 76.320 53.652 -17.596 1.00 0.00 WT2 H ATOM 29043 H2 TIP3 2169 75.263 54.142 -16.628 1.00 0.00 WT2 H ATOM 29044 OH2 TIP3 2170 45.855 34.635 5.562 1.00 0.00 WT2 O ATOM 29045 H1 TIP3 2170 45.606 35.002 6.410 1.00 0.00 WT2 H ATOM 29046 H2 TIP3 2170 46.668 35.087 5.335 1.00 0.00 WT2 H ATOM 29047 OH2 TIP3 2183 41.673 53.883 -10.714 1.00 0.00 WT2 O ATOM 29048 H1 TIP3 2183 41.281 54.747 -10.840 1.00 0.00 WT2 H ATOM 29049 H2 TIP3 2183 41.204 53.512 -9.966 1.00 0.00 WT2 H ATOM 29050 OH2 TIP3 2185 30.279 49.338 15.718 1.00 0.00 WT2 O ATOM 29051 H1 TIP3 2185 31.061 49.872 15.857 1.00 0.00 WT2 H ATOM 29052 H2 TIP3 2185 29.926 49.642 14.881 1.00 0.00 WT2 H ATOM 29053 OH2 TIP3 2186 72.771 14.546 55.654 1.00 0.00 WT2 O ATOM 29054 H1 TIP3 2186 73.262 13.939 56.209 1.00 0.00 WT2 H ATOM 29055 H2 TIP3 2186 72.610 14.056 54.847 1.00 0.00 WT2 H ATOM 29056 OH2 TIP3 2187 81.960 81.571 9.004 1.00 0.00 WT2 O ATOM 29057 H1 TIP3 2187 81.626 81.016 8.299 1.00 0.00 WT2 H ATOM 29058 H2 TIP3 2187 82.012 80.989 9.763 1.00 0.00 WT2 H ATOM 29059 OH2 TIP3 2188 59.172 90.478 32.805 1.00 0.00 WT2 O ATOM 29060 H1 TIP3 2188 58.665 90.808 32.063 1.00 0.00 WT2 H ATOM 29061 H2 TIP3 2188 58.525 90.051 33.367 1.00 0.00 WT2 H ATOM 29062 OH2 TIP3 2189 80.675 58.399 -14.019 1.00 0.00 WT2 O ATOM 29063 H1 TIP3 2189 80.433 57.482 -14.152 1.00 0.00 WT2 H ATOM 29064 H2 TIP3 2189 79.840 58.857 -13.930 1.00 0.00 WT2 H ATOM 29065 OH2 TIP3 2190 44.647 51.730 33.823 1.00 0.00 WT2 O ATOM 29066 H1 TIP3 2190 45.045 51.030 33.306 1.00 0.00 WT2 H ATOM 29067 H2 TIP3 2190 44.121 52.224 33.194 1.00 0.00 WT2 H ATOM 29068 OH2 TIP3 2191 36.876 59.705 33.230 1.00 0.00 WT2 O ATOM 29069 H1 TIP3 2191 37.503 59.981 32.562 1.00 0.00 WT2 H ATOM 29070 H2 TIP3 2191 37.412 59.518 34.000 1.00 0.00 WT2 H ATOM 29071 OH2 TIP3 2193 50.634 29.183 -4.809 1.00 0.00 WT2 O ATOM 29072 H1 TIP3 2193 51.403 28.657 -4.590 1.00 0.00 WT2 H ATOM 29073 H2 TIP3 2193 49.918 28.551 -4.865 1.00 0.00 WT2 H ATOM 29074 OH2 TIP3 2205 82.695 49.159 27.754 1.00 0.00 WT2 O ATOM 29075 H1 TIP3 2205 82.067 48.600 27.296 1.00 0.00 WT2 H ATOM 29076 H2 TIP3 2205 83.098 49.683 27.062 1.00 0.00 WT2 H ATOM 29077 OH2 TIP3 2206 49.847 50.787 25.794 1.00 0.00 WT2 O ATOM 29078 H1 TIP3 2206 50.414 51.104 25.091 1.00 0.00 WT2 H ATOM 29079 H2 TIP3 2206 49.851 49.835 25.694 1.00 0.00 WT2 H ATOM 29080 OH2 TIP3 2207 39.373 19.976 57.500 1.00 0.00 WT2 O ATOM 29081 H1 TIP3 2207 40.161 19.636 57.077 1.00 0.00 WT2 H ATOM 29082 H2 TIP3 2207 39.325 19.505 58.332 1.00 0.00 WT2 H ATOM 29083 OH2 TIP3 2208 35.889 57.983 57.841 1.00 0.00 WT2 O ATOM 29084 H1 TIP3 2208 35.285 58.056 58.580 1.00 0.00 WT2 H ATOM 29085 H2 TIP3 2208 35.359 58.207 57.076 1.00 0.00 WT2 H ATOM 29086 OH2 TIP3 2209 43.945 14.005 40.472 1.00 0.00 WT2 O ATOM 29087 H1 TIP3 2209 43.389 13.872 39.704 1.00 0.00 WT2 H ATOM 29088 H2 TIP3 2209 44.633 13.345 40.387 1.00 0.00 WT2 H ATOM 29089 OH2 TIP3 2227 86.680 3.408 51.395 1.00 0.00 WT2 O ATOM 29090 H1 TIP3 2227 87.183 4.214 51.277 1.00 0.00 WT2 H ATOM 29091 H2 TIP3 2227 86.685 3.259 52.341 1.00 0.00 WT2 H ATOM 29092 OH2 TIP3 2228 71.383 64.495 46.712 1.00 0.00 WT2 O ATOM 29093 H1 TIP3 2228 71.774 64.898 45.937 1.00 0.00 WT2 H ATOM 29094 H2 TIP3 2228 70.442 64.639 46.608 1.00 0.00 WT2 H ATOM 29095 OH2 TIP3 2229 35.629 3.199 52.383 1.00 0.00 WT2 O ATOM 29096 H1 TIP3 2229 35.379 3.341 53.296 1.00 0.00 WT2 H ATOM 29097 H2 TIP3 2229 36.581 3.303 52.376 1.00 0.00 WT2 H ATOM 29098 OH2 TIP3 2230 58.561 46.548 -17.814 1.00 0.00 WT2 O ATOM 29099 H1 TIP3 2230 58.859 46.690 -18.712 1.00 0.00 WT2 H ATOM 29100 H2 TIP3 2230 58.891 47.304 -17.329 1.00 0.00 WT2 H ATOM 29101 OH2 TIP3 2231 28.135 81.311 18.818 1.00 0.00 WT2 O ATOM 29102 H1 TIP3 2231 27.577 81.046 19.549 1.00 0.00 WT2 H ATOM 29103 H2 TIP3 2231 29.018 81.058 19.086 1.00 0.00 WT2 H ATOM 29104 OH2 TIP3 2232 41.677 85.806 14.926 1.00 0.00 WT2 O ATOM 29105 H1 TIP3 2232 42.182 85.165 15.424 1.00 0.00 WT2 H ATOM 29106 H2 TIP3 2232 41.513 85.382 14.084 1.00 0.00 WT2 H ATOM 29107 OH2 TIP3 2233 47.845 43.629 -2.813 1.00 0.00 WT2 O ATOM 29108 H1 TIP3 2233 47.206 43.024 -3.191 1.00 0.00 WT2 H ATOM 29109 H2 TIP3 2233 48.553 43.662 -3.457 1.00 0.00 WT2 H ATOM 29110 OH2 TIP3 2244 44.080 43.001 -11.874 1.00 0.00 WT2 O ATOM 29111 H1 TIP3 2244 43.127 43.082 -11.832 1.00 0.00 WT2 H ATOM 29112 H2 TIP3 2244 44.325 43.464 -12.675 1.00 0.00 WT2 H ATOM 29113 OH2 TIP3 2250 21.935 42.243 25.439 1.00 0.00 WT2 O ATOM 29114 H1 TIP3 2250 21.655 43.062 25.849 1.00 0.00 WT2 H ATOM 29115 H2 TIP3 2250 21.168 41.673 25.496 1.00 0.00 WT2 H ATOM 29116 OH2 TIP3 2251 59.774 9.980 56.008 1.00 0.00 WT2 O ATOM 29117 H1 TIP3 2251 58.889 10.236 56.266 1.00 0.00 WT2 H ATOM 29118 H2 TIP3 2251 59.782 9.026 56.093 1.00 0.00 WT2 H ATOM 29119 OH2 TIP3 2252 83.598 48.853 33.004 1.00 0.00 WT2 O ATOM 29120 H1 TIP3 2252 83.910 49.731 32.783 1.00 0.00 WT2 H ATOM 29121 H2 TIP3 2252 84.314 48.272 32.747 1.00 0.00 WT2 H ATOM 29122 OH2 TIP3 2253 40.602 17.836 41.310 1.00 0.00 WT2 O ATOM 29123 H1 TIP3 2253 39.936 18.402 41.700 1.00 0.00 WT2 H ATOM 29124 H2 TIP3 2253 40.166 16.991 41.200 1.00 0.00 WT2 H ATOM 29125 OH2 TIP3 2254 48.239 28.785 62.164 1.00 0.00 WT2 O ATOM 29126 H1 TIP3 2254 48.246 29.041 61.241 1.00 0.00 WT2 H ATOM 29127 H2 TIP3 2254 48.886 29.358 62.576 1.00 0.00 WT2 H ATOM 29128 OH2 TIP3 2255 58.252 62.760 51.780 1.00 0.00 WT2 O ATOM 29129 H1 TIP3 2255 58.953 62.496 51.185 1.00 0.00 WT2 H ATOM 29130 H2 TIP3 2255 57.833 61.939 52.038 1.00 0.00 WT2 H ATOM 29131 OH2 TIP3 2269 83.814 49.300 61.302 1.00 0.00 WT2 O ATOM 29132 H1 TIP3 2269 83.015 49.818 61.406 1.00 0.00 WT2 H ATOM 29133 H2 TIP3 2269 84.435 49.899 60.888 1.00 0.00 WT2 H ATOM 29134 OH2 TIP3 2270 61.245 46.153 41.662 1.00 0.00 WT2 O ATOM 29135 H1 TIP3 2270 61.452 46.680 40.891 1.00 0.00 WT2 H ATOM 29136 H2 TIP3 2270 60.315 45.948 41.571 1.00 0.00 WT2 H ATOM 29137 OH2 TIP3 2271 33.713 93.349 14.130 1.00 0.00 WT2 O ATOM 29138 H1 TIP3 2271 34.202 92.735 14.678 1.00 0.00 WT2 H ATOM 29139 H2 TIP3 2271 34.386 93.893 13.721 1.00 0.00 WT2 H ATOM 29140 OH2 TIP3 2272 83.720 47.064 46.510 1.00 0.00 WT2 O ATOM 29141 H1 TIP3 2272 83.554 46.388 47.167 1.00 0.00 WT2 H ATOM 29142 H2 TIP3 2272 84.674 47.096 46.435 1.00 0.00 WT2 H ATOM 29143 OH2 TIP3 2273 64.764 54.370 2.930 1.00 0.00 WT2 O ATOM 29144 H1 TIP3 2273 64.186 54.118 3.651 1.00 0.00 WT2 H ATOM 29145 H2 TIP3 2273 65.491 53.749 2.978 1.00 0.00 WT2 H ATOM 29146 OH2 TIP3 2274 42.290 69.213 63.088 1.00 0.00 WT2 O ATOM 29147 H1 TIP3 2274 41.993 69.948 62.552 1.00 0.00 WT2 H ATOM 29148 H2 TIP3 2274 41.689 69.199 63.832 1.00 0.00 WT2 H ATOM 29149 OH2 TIP3 2275 55.023 17.377 61.340 1.00 0.00 WT2 O ATOM 29150 H1 TIP3 2275 55.686 17.489 60.658 1.00 0.00 WT2 H ATOM 29151 H2 TIP3 2275 54.748 16.464 61.260 1.00 0.00 WT2 H ATOM 29152 OH2 TIP3 2276 66.870 16.363 -8.676 1.00 0.00 WT2 O ATOM 29153 H1 TIP3 2276 66.929 17.277 -8.955 1.00 0.00 WT2 H ATOM 29154 H2 TIP3 2276 66.112 16.017 -9.147 1.00 0.00 WT2 H ATOM 29155 OH2 TIP3 2277 84.299 18.165 8.118 1.00 0.00 WT2 O ATOM 29156 H1 TIP3 2277 83.686 18.779 8.522 1.00 0.00 WT2 H ATOM 29157 H2 TIP3 2277 83.804 17.770 7.400 1.00 0.00 WT2 H ATOM 29158 OH2 TIP3 2280 43.762 93.612 40.841 1.00 0.00 WT2 O ATOM 29159 H1 TIP3 2280 43.828 92.722 40.494 1.00 0.00 WT2 H ATOM 29160 H2 TIP3 2280 43.078 94.025 40.314 1.00 0.00 WT2 H ATOM 29161 OH2 TIP3 2288 69.787 90.918 16.761 1.00 0.00 WT2 O ATOM 29162 H1 TIP3 2288 70.650 91.327 16.697 1.00 0.00 WT2 H ATOM 29163 H2 TIP3 2288 69.834 90.381 17.552 1.00 0.00 WT2 H ATOM 29164 OH2 TIP3 2290 73.715 72.303 10.700 1.00 0.00 WT2 O ATOM 29165 H1 TIP3 2290 72.937 72.609 11.166 1.00 0.00 WT2 H ATOM 29166 H2 TIP3 2290 73.815 71.391 10.973 1.00 0.00 WT2 H ATOM 29167 OH2 TIP3 2292 31.056 8.815 60.285 1.00 0.00 WT2 O ATOM 29168 H1 TIP3 2292 31.609 9.450 60.740 1.00 0.00 WT2 H ATOM 29169 H2 TIP3 2292 30.861 9.226 59.443 1.00 0.00 WT2 H ATOM 29170 OH2 TIP3 2293 31.718 81.050 50.518 1.00 0.00 WT2 O ATOM 29171 H1 TIP3 2293 32.167 80.361 50.027 1.00 0.00 WT2 H ATOM 29172 H2 TIP3 2293 32.187 81.096 51.351 1.00 0.00 WT2 H ATOM 29173 OH2 TIP3 2294 29.929 3.890 42.435 1.00 0.00 WT2 O ATOM 29174 H1 TIP3 2294 30.290 4.314 41.656 1.00 0.00 WT2 H ATOM 29175 H2 TIP3 2294 30.517 3.154 42.601 1.00 0.00 WT2 H ATOM 29176 OH2 TIP3 2296 20.776 66.603 18.161 1.00 0.00 WT2 O ATOM 29177 H1 TIP3 2296 20.429 66.045 17.465 1.00 0.00 WT2 H ATOM 29178 H2 TIP3 2296 20.007 66.860 18.670 1.00 0.00 WT2 H ATOM 29179 OH2 TIP3 2309 90.213 53.771 23.254 1.00 0.00 WT2 O ATOM 29180 H1 TIP3 2309 90.232 53.769 22.297 1.00 0.00 WT2 H ATOM 29181 H2 TIP3 2309 89.318 53.515 23.477 1.00 0.00 WT2 H ATOM 29182 OH2 TIP3 2311 39.914 79.155 48.411 1.00 0.00 WT2 O ATOM 29183 H1 TIP3 2311 39.798 80.097 48.537 1.00 0.00 WT2 H ATOM 29184 H2 TIP3 2311 39.551 78.983 47.542 1.00 0.00 WT2 H ATOM 29185 OH2 TIP3 2312 89.772 15.763 -18.197 1.00 0.00 WT2 O ATOM 29186 H1 TIP3 2312 89.828 15.875 -17.248 1.00 0.00 WT2 H ATOM 29187 H2 TIP3 2312 89.298 14.940 -18.315 1.00 0.00 WT2 H ATOM 29188 OH2 TIP3 2313 87.161 65.117 37.056 1.00 0.00 WT2 O ATOM 29189 H1 TIP3 2313 87.945 65.153 36.508 1.00 0.00 WT2 H ATOM 29190 H2 TIP3 2313 86.439 65.301 36.455 1.00 0.00 WT2 H ATOM 29191 OH2 TIP3 2314 21.948 17.054 11.374 1.00 0.00 WT2 O ATOM 29192 H1 TIP3 2314 22.672 16.580 10.965 1.00 0.00 WT2 H ATOM 29193 H2 TIP3 2314 21.218 16.435 11.361 1.00 0.00 WT2 H ATOM 29194 OH2 TIP3 2315 33.209 54.367 67.233 1.00 0.00 WT2 O ATOM 29195 H1 TIP3 2315 33.680 53.557 67.036 1.00 0.00 WT2 H ATOM 29196 H2 TIP3 2315 32.291 54.159 67.062 1.00 0.00 WT2 H ATOM 29197 OH2 TIP3 2316 66.061 25.385 23.788 1.00 0.00 WT2 O ATOM 29198 H1 TIP3 2316 66.398 25.785 22.986 1.00 0.00 WT2 H ATOM 29199 H2 TIP3 2316 66.362 24.477 23.748 1.00 0.00 WT2 H ATOM 29200 OH2 TIP3 2317 71.603 79.690 10.326 1.00 0.00 WT2 O ATOM 29201 H1 TIP3 2317 70.852 80.047 9.852 1.00 0.00 WT2 H ATOM 29202 H2 TIP3 2317 71.279 78.876 10.710 1.00 0.00 WT2 H ATOM 29203 OH2 TIP3 2318 30.053 79.008 -11.482 1.00 0.00 WT2 O ATOM 29204 H1 TIP3 2318 30.161 78.707 -10.580 1.00 0.00 WT2 H ATOM 29205 H2 TIP3 2318 29.967 79.958 -11.409 1.00 0.00 WT2 H ATOM 29206 OH2 TIP3 2319 45.513 12.500 21.542 1.00 0.00 WT2 O ATOM 29207 H1 TIP3 2319 46.231 12.208 22.103 1.00 0.00 WT2 H ATOM 29208 H2 TIP3 2319 45.319 13.388 21.843 1.00 0.00 WT2 H ATOM 29209 OH2 TIP3 2329 79.093 47.247 5.561 1.00 0.00 WT2 O ATOM 29210 H1 TIP3 2329 78.701 46.901 6.362 1.00 0.00 WT2 H ATOM 29211 H2 TIP3 2329 78.815 48.163 5.533 1.00 0.00 WT2 H ATOM 29212 OH2 TIP3 2331 51.599 36.654 14.066 1.00 0.00 WT2 O ATOM 29213 H1 TIP3 2331 50.915 37.225 14.417 1.00 0.00 WT2 H ATOM 29214 H2 TIP3 2331 51.334 35.773 14.327 1.00 0.00 WT2 H ATOM 29215 OH2 TIP3 2332 44.961 84.196 -6.456 1.00 0.00 WT2 O ATOM 29216 H1 TIP3 2332 44.559 83.754 -5.709 1.00 0.00 WT2 H ATOM 29217 H2 TIP3 2332 45.583 83.559 -6.807 1.00 0.00 WT2 H ATOM 29218 OH2 TIP3 2333 60.981 41.352 23.387 1.00 0.00 WT2 O ATOM 29219 H1 TIP3 2333 61.160 42.250 23.109 1.00 0.00 WT2 H ATOM 29220 H2 TIP3 2333 60.054 41.356 23.628 1.00 0.00 WT2 H ATOM 29221 OH2 TIP3 2335 72.765 92.275 -4.453 1.00 0.00 WT2 O ATOM 29222 H1 TIP3 2335 73.475 92.673 -3.949 1.00 0.00 WT2 H ATOM 29223 H2 TIP3 2335 72.379 91.633 -3.858 1.00 0.00 WT2 H ATOM 29224 OH2 TIP3 2336 31.745 68.652 27.739 1.00 0.00 WT2 O ATOM 29225 H1 TIP3 2336 32.241 69.282 27.216 1.00 0.00 WT2 H ATOM 29226 H2 TIP3 2336 32.252 67.842 27.683 1.00 0.00 WT2 H ATOM 29227 OH2 TIP3 2337 53.298 37.491 61.910 1.00 0.00 WT2 O ATOM 29228 H1 TIP3 2337 52.656 36.862 62.240 1.00 0.00 WT2 H ATOM 29229 H2 TIP3 2337 52.822 38.320 61.867 1.00 0.00 WT2 H ATOM 29230 OH2 TIP3 2338 20.096 33.089 19.624 1.00 0.00 WT2 O ATOM 29231 H1 TIP3 2338 20.998 33.289 19.875 1.00 0.00 WT2 H ATOM 29232 H2 TIP3 2338 19.560 33.615 20.218 1.00 0.00 WT2 H ATOM 29233 OH2 TIP3 2339 44.121 6.008 49.085 1.00 0.00 WT2 O ATOM 29234 H1 TIP3 2339 43.641 6.024 48.257 1.00 0.00 WT2 H ATOM 29235 H2 TIP3 2339 45.041 6.081 48.830 1.00 0.00 WT2 H ATOM 29236 OH2 TIP3 2351 33.163 18.617 39.486 1.00 0.00 WT2 O ATOM 29237 H1 TIP3 2351 34.118 18.669 39.453 1.00 0.00 WT2 H ATOM 29238 H2 TIP3 2351 32.879 18.851 38.603 1.00 0.00 WT2 H ATOM 29239 OH2 TIP3 2352 62.480 81.872 66.155 1.00 0.00 WT2 O ATOM 29240 H1 TIP3 2352 62.247 82.250 67.004 1.00 0.00 WT2 H ATOM 29241 H2 TIP3 2352 62.677 80.956 66.347 1.00 0.00 WT2 H ATOM 29242 OH2 TIP3 2354 45.424 24.151 3.035 1.00 0.00 WT2 O ATOM 29243 H1 TIP3 2354 45.131 24.377 2.153 1.00 0.00 WT2 H ATOM 29244 H2 TIP3 2354 45.227 24.927 3.560 1.00 0.00 WT2 H ATOM 29245 OH2 TIP3 2355 40.753 39.104 3.806 1.00 0.00 WT2 O ATOM 29246 H1 TIP3 2355 41.191 38.294 4.067 1.00 0.00 WT2 H ATOM 29247 H2 TIP3 2355 41.037 39.750 4.453 1.00 0.00 WT2 H ATOM 29248 OH2 TIP3 2357 22.415 87.434 -12.220 1.00 0.00 WT2 O ATOM 29249 H1 TIP3 2357 21.842 86.689 -12.400 1.00 0.00 WT2 H ATOM 29250 H2 TIP3 2357 21.843 88.199 -12.284 1.00 0.00 WT2 H ATOM 29251 OH2 TIP3 2358 31.503 1.038 54.388 1.00 0.00 WT2 O ATOM 29252 H1 TIP3 2358 31.849 0.710 53.558 1.00 0.00 WT2 H ATOM 29253 H2 TIP3 2358 30.556 0.915 54.319 1.00 0.00 WT2 H ATOM 29254 OH2 TIP3 2359 70.002 39.251 62.899 1.00 0.00 WT2 O ATOM 29255 H1 TIP3 2359 69.214 39.775 63.043 1.00 0.00 WT2 H ATOM 29256 H2 TIP3 2359 70.500 39.338 63.712 1.00 0.00 WT2 H ATOM 29257 OH2 TIP3 2376 29.859 43.915 49.411 1.00 0.00 WT2 O ATOM 29258 H1 TIP3 2376 29.486 43.292 50.035 1.00 0.00 WT2 H ATOM 29259 H2 TIP3 2376 30.063 43.388 48.638 1.00 0.00 WT2 H ATOM 29260 OH2 TIP3 2377 68.782 4.800 41.906 1.00 0.00 WT2 O ATOM 29261 H1 TIP3 2377 68.191 5.147 41.238 1.00 0.00 WT2 H ATOM 29262 H2 TIP3 2377 68.405 5.092 42.736 1.00 0.00 WT2 H ATOM 29263 OH2 TIP3 2378 54.023 96.117 62.307 1.00 0.00 WT2 O ATOM 29264 H1 TIP3 2378 53.992 96.919 61.786 1.00 0.00 WT2 H ATOM 29265 H2 TIP3 2378 54.712 96.276 62.952 1.00 0.00 WT2 H ATOM 29266 OH2 TIP3 2380 58.361 5.411 42.550 1.00 0.00 WT2 O ATOM 29267 H1 TIP3 2380 59.082 5.077 43.084 1.00 0.00 WT2 H ATOM 29268 H2 TIP3 2380 57.970 6.105 43.080 1.00 0.00 WT2 H ATOM 29269 OH2 TIP3 2395 43.063 40.609 44.944 1.00 0.00 WT2 O ATOM 29270 H1 TIP3 2395 42.767 41.144 45.680 1.00 0.00 WT2 H ATOM 29271 H2 TIP3 2395 43.601 41.201 44.418 1.00 0.00 WT2 H ATOM 29272 OH2 TIP3 2397 27.517 46.281 14.802 1.00 0.00 WT2 O ATOM 29273 H1 TIP3 2397 27.021 46.717 15.494 1.00 0.00 WT2 H ATOM 29274 H2 TIP3 2397 28.419 46.573 14.931 1.00 0.00 WT2 H ATOM 29275 OH2 TIP3 2398 76.254 0.032 5.210 1.00 0.00 WT2 O ATOM 29276 H1 TIP3 2398 77.084 0.509 5.186 1.00 0.00 WT2 H ATOM 29277 H2 TIP3 2398 75.608 0.657 4.881 1.00 0.00 WT2 H ATOM 29278 OH2 TIP3 2399 54.858 18.129 -9.385 1.00 0.00 WT2 O ATOM 29279 H1 TIP3 2399 54.013 18.170 -8.938 1.00 0.00 WT2 H ATOM 29280 H2 TIP3 2399 54.828 18.844 -10.021 1.00 0.00 WT2 H ATOM 29281 OH2 TIP3 2400 26.712 86.656 57.902 1.00 0.00 WT2 O ATOM 29282 H1 TIP3 2400 26.090 86.276 57.282 1.00 0.00 WT2 H ATOM 29283 H2 TIP3 2400 26.652 87.600 57.755 1.00 0.00 WT2 H ATOM 29284 OH2 TIP3 2416 39.394 66.080 9.869 1.00 0.00 WT2 O ATOM 29285 H1 TIP3 2416 39.942 66.755 9.469 1.00 0.00 WT2 H ATOM 29286 H2 TIP3 2416 39.919 65.745 10.597 1.00 0.00 WT2 H ATOM 29287 OH2 TIP3 2417 22.801 32.211 23.032 1.00 0.00 WT2 O ATOM 29288 H1 TIP3 2417 21.862 32.027 23.007 1.00 0.00 WT2 H ATOM 29289 H2 TIP3 2417 23.030 32.416 22.126 1.00 0.00 WT2 H ATOM 29290 OH2 TIP3 2418 86.143 43.522 -6.869 1.00 0.00 WT2 O ATOM 29291 H1 TIP3 2418 86.466 43.465 -5.970 1.00 0.00 WT2 H ATOM 29292 H2 TIP3 2418 85.191 43.571 -6.778 1.00 0.00 WT2 H ATOM 29293 OH2 TIP3 2419 61.076 86.979 41.013 1.00 0.00 WT2 O ATOM 29294 H1 TIP3 2419 60.993 86.319 40.325 1.00 0.00 WT2 H ATOM 29295 H2 TIP3 2419 60.893 86.504 41.824 1.00 0.00 WT2 H ATOM 29296 OH2 TIP3 2421 37.861 45.388 -18.828 1.00 0.00 WT2 O ATOM 29297 H1 TIP3 2421 37.862 46.199 -19.337 1.00 0.00 WT2 H ATOM 29298 H2 TIP3 2421 38.729 45.355 -18.427 1.00 0.00 WT2 H ATOM 29299 OH2 TIP3 2423 51.335 12.678 5.240 1.00 0.00 WT2 O ATOM 29300 H1 TIP3 2423 50.402 12.822 5.082 1.00 0.00 WT2 H ATOM 29301 H2 TIP3 2423 51.362 12.004 5.920 1.00 0.00 WT2 H ATOM 29302 OH2 TIP3 2436 55.545 71.470 59.440 1.00 0.00 WT2 O ATOM 29303 H1 TIP3 2436 55.368 70.621 59.035 1.00 0.00 WT2 H ATOM 29304 H2 TIP3 2436 56.400 71.727 59.096 1.00 0.00 WT2 H ATOM 29305 OH2 TIP3 2438 90.081 43.750 -19.587 1.00 0.00 WT2 O ATOM 29306 H1 TIP3 2438 89.516 43.353 -18.924 1.00 0.00 WT2 H ATOM 29307 H2 TIP3 2438 89.476 44.090 -20.246 1.00 0.00 WT2 H ATOM 29308 OH2 TIP3 2440 87.323 21.354 46.151 1.00 0.00 WT2 O ATOM 29309 H1 TIP3 2440 87.079 21.256 47.071 1.00 0.00 WT2 H ATOM 29310 H2 TIP3 2440 88.079 20.778 46.040 1.00 0.00 WT2 H ATOM 29311 OH2 TIP3 2441 49.519 9.403 34.199 1.00 0.00 WT2 O ATOM 29312 H1 TIP3 2441 50.431 9.624 34.014 1.00 0.00 WT2 H ATOM 29313 H2 TIP3 2441 49.454 8.469 34.001 1.00 0.00 WT2 H ATOM 29314 OH2 TIP3 2442 66.286 23.351 56.022 1.00 0.00 WT2 O ATOM 29315 H1 TIP3 2442 65.846 23.235 55.180 1.00 0.00 WT2 H ATOM 29316 H2 TIP3 2442 65.901 22.681 56.587 1.00 0.00 WT2 H ATOM 29317 OH2 TIP3 2447 34.021 20.150 15.899 1.00 0.00 WT2 O ATOM 29318 H1 TIP3 2447 33.328 20.803 15.999 1.00 0.00 WT2 H ATOM 29319 H2 TIP3 2447 33.708 19.572 15.204 1.00 0.00 WT2 H ATOM 29320 OH2 TIP3 2458 71.086 49.740 59.254 1.00 0.00 WT2 O ATOM 29321 H1 TIP3 2458 70.698 50.607 59.375 1.00 0.00 WT2 H ATOM 29322 H2 TIP3 2458 71.220 49.668 58.309 1.00 0.00 WT2 H ATOM 29323 OH2 TIP3 2459 82.353 24.938 61.731 1.00 0.00 WT2 O ATOM 29324 H1 TIP3 2459 81.917 25.418 62.435 1.00 0.00 WT2 H ATOM 29325 H2 TIP3 2459 83.005 24.398 62.178 1.00 0.00 WT2 H ATOM 29326 OH2 TIP3 2460 60.350 44.227 63.120 1.00 0.00 WT2 O ATOM 29327 H1 TIP3 2460 59.794 43.635 63.626 1.00 0.00 WT2 H ATOM 29328 H2 TIP3 2460 61.068 44.448 63.714 1.00 0.00 WT2 H ATOM 29329 OH2 TIP3 2461 78.643 74.320 11.524 1.00 0.00 WT2 O ATOM 29330 H1 TIP3 2461 77.763 73.950 11.597 1.00 0.00 WT2 H ATOM 29331 H2 TIP3 2461 78.504 75.267 11.500 1.00 0.00 WT2 H ATOM 29332 OH2 TIP3 2463 65.266 71.216 -16.936 1.00 0.00 WT2 O ATOM 29333 H1 TIP3 2463 64.778 70.530 -16.480 1.00 0.00 WT2 H ATOM 29334 H2 TIP3 2463 65.824 70.743 -17.553 1.00 0.00 WT2 H ATOM 29335 OH2 TIP3 2465 76.605 23.450 66.609 1.00 0.00 WT2 O ATOM 29336 H1 TIP3 2465 75.738 23.107 66.391 1.00 0.00 WT2 H ATOM 29337 H2 TIP3 2465 76.467 24.389 66.731 1.00 0.00 WT2 H ATOM 29338 OH2 TIP3 2477 61.423 64.333 33.328 1.00 0.00 WT2 O ATOM 29339 H1 TIP3 2477 61.983 63.744 32.822 1.00 0.00 WT2 H ATOM 29340 H2 TIP3 2477 60.675 64.503 32.757 1.00 0.00 WT2 H ATOM 29341 OH2 TIP3 2480 79.211 70.998 -19.582 1.00 0.00 WT2 O ATOM 29342 H1 TIP3 2480 79.983 70.626 -20.009 1.00 0.00 WT2 H ATOM 29343 H2 TIP3 2480 78.901 70.304 -19.000 1.00 0.00 WT2 H ATOM 29344 OH2 TIP3 2482 46.714 34.997 38.978 1.00 0.00 WT2 O ATOM 29345 H1 TIP3 2482 45.856 35.346 39.215 1.00 0.00 WT2 H ATOM 29346 H2 TIP3 2482 47.147 35.715 38.516 1.00 0.00 WT2 H ATOM 29347 OH2 TIP3 2483 52.740 44.313 66.396 1.00 0.00 WT2 O ATOM 29348 H1 TIP3 2483 53.538 43.840 66.159 1.00 0.00 WT2 H ATOM 29349 H2 TIP3 2483 53.049 45.158 66.721 1.00 0.00 WT2 H ATOM 29350 OH2 TIP3 2484 29.860 46.727 63.171 1.00 0.00 WT2 O ATOM 29351 H1 TIP3 2484 30.098 47.555 63.589 1.00 0.00 WT2 H ATOM 29352 H2 TIP3 2484 28.932 46.614 63.374 1.00 0.00 WT2 H ATOM 29353 OH2 TIP3 2499 87.376 66.435 59.194 1.00 0.00 WT2 O ATOM 29354 H1 TIP3 2499 87.400 66.290 60.140 1.00 0.00 WT2 H ATOM 29355 H2 TIP3 2499 86.445 66.522 58.988 1.00 0.00 WT2 H ATOM 29356 OH2 TIP3 2500 33.655 42.774 6.152 1.00 0.00 WT2 O ATOM 29357 H1 TIP3 2500 34.485 43.078 6.520 1.00 0.00 WT2 H ATOM 29358 H2 TIP3 2500 33.598 43.206 5.300 1.00 0.00 WT2 H ATOM 29359 OH2 TIP3 2503 22.047 18.794 49.027 1.00 0.00 WT2 O ATOM 29360 H1 TIP3 2503 22.979 18.915 48.842 1.00 0.00 WT2 H ATOM 29361 H2 TIP3 2503 21.609 19.464 48.502 1.00 0.00 WT2 H ATOM 29362 OH2 TIP3 2508 62.719 95.079 38.761 1.00 0.00 WT2 O ATOM 29363 H1 TIP3 2508 63.375 94.532 39.194 1.00 0.00 WT2 H ATOM 29364 H2 TIP3 2508 63.003 95.116 37.848 1.00 0.00 WT2 H ATOM 29365 OH2 TIP3 2519 40.160 6.490 -12.346 1.00 0.00 WT2 O ATOM 29366 H1 TIP3 2519 40.075 5.641 -11.911 1.00 0.00 WT2 H ATOM 29367 H2 TIP3 2519 39.954 7.130 -11.665 1.00 0.00 WT2 H ATOM 29368 OH2 TIP3 2521 53.529 82.303 -16.309 1.00 0.00 WT2 O ATOM 29369 H1 TIP3 2521 53.015 81.571 -16.648 1.00 0.00 WT2 H ATOM 29370 H2 TIP3 2521 52.895 82.846 -15.841 1.00 0.00 WT2 H ATOM 29371 OH2 TIP3 2522 80.202 55.159 46.484 1.00 0.00 WT2 O ATOM 29372 H1 TIP3 2522 80.997 55.454 46.039 1.00 0.00 WT2 H ATOM 29373 H2 TIP3 2522 79.898 54.416 45.963 1.00 0.00 WT2 H ATOM 29374 OH2 TIP3 2523 31.531 0.734 40.523 1.00 0.00 WT2 O ATOM 29375 H1 TIP3 2523 31.469 1.435 39.875 1.00 0.00 WT2 H ATOM 29376 H2 TIP3 2523 31.165 1.113 41.322 1.00 0.00 WT2 H ATOM 29377 OH2 TIP3 2525 39.315 13.308 -17.987 1.00 0.00 WT2 O ATOM 29378 H1 TIP3 2525 38.928 13.202 -17.117 1.00 0.00 WT2 H ATOM 29379 H2 TIP3 2525 39.639 14.208 -17.997 1.00 0.00 WT2 H ATOM 29380 OH2 TIP3 2526 26.848 79.100 27.557 1.00 0.00 WT2 O ATOM 29381 H1 TIP3 2526 26.347 79.454 26.822 1.00 0.00 WT2 H ATOM 29382 H2 TIP3 2526 26.304 78.390 27.898 1.00 0.00 WT2 H ATOM 29383 OH2 TIP3 2527 25.734 29.719 43.952 1.00 0.00 WT2 O ATOM 29384 H1 TIP3 2527 25.759 30.306 44.708 1.00 0.00 WT2 H ATOM 29385 H2 TIP3 2527 24.804 29.645 43.736 1.00 0.00 WT2 H ATOM 29386 OH2 TIP3 2528 30.092 49.251 6.807 1.00 0.00 WT2 O ATOM 29387 H1 TIP3 2528 30.710 48.571 6.541 1.00 0.00 WT2 H ATOM 29388 H2 TIP3 2528 30.577 49.782 7.439 1.00 0.00 WT2 H ATOM 29389 OH2 TIP3 2529 37.992 4.782 36.246 1.00 0.00 WT2 O ATOM 29390 H1 TIP3 2529 37.884 3.888 35.921 1.00 0.00 WT2 H ATOM 29391 H2 TIP3 2529 37.127 5.023 36.579 1.00 0.00 WT2 H ATOM 29392 OH2 TIP3 2539 58.687 75.378 -18.654 1.00 0.00 WT2 O ATOM 29393 H1 TIP3 2539 58.863 74.890 -17.849 1.00 0.00 WT2 H ATOM 29394 H2 TIP3 2539 57.888 75.871 -18.466 1.00 0.00 WT2 H ATOM 29395 OH2 TIP3 2540 77.304 68.813 44.050 1.00 0.00 WT2 O ATOM 29396 H1 TIP3 2540 77.160 69.562 43.471 1.00 0.00 WT2 H ATOM 29397 H2 TIP3 2540 77.796 68.189 43.517 1.00 0.00 WT2 H ATOM 29398 OH2 TIP3 2541 45.854 56.364 -17.346 1.00 0.00 WT2 O ATOM 29399 H1 TIP3 2541 46.029 57.301 -17.262 1.00 0.00 WT2 H ATOM 29400 H2 TIP3 2541 45.550 56.098 -16.478 1.00 0.00 WT2 H ATOM 29401 OH2 TIP3 2544 77.063 57.601 52.493 1.00 0.00 WT2 O ATOM 29402 H1 TIP3 2544 77.907 57.388 52.095 1.00 0.00 WT2 H ATOM 29403 H2 TIP3 2544 76.474 56.909 52.192 1.00 0.00 WT2 H ATOM 29404 OH2 TIP3 2545 50.547 81.847 -1.650 1.00 0.00 WT2 O ATOM 29405 H1 TIP3 2545 50.281 81.058 -1.176 1.00 0.00 WT2 H ATOM 29406 H2 TIP3 2545 51.490 81.741 -1.782 1.00 0.00 WT2 H ATOM 29407 OH2 TIP3 2547 90.359 58.077 55.965 1.00 0.00 WT2 O ATOM 29408 H1 TIP3 2547 89.859 58.489 56.669 1.00 0.00 WT2 H ATOM 29409 H2 TIP3 2547 89.991 58.446 55.162 1.00 0.00 WT2 H ATOM 29410 OH2 TIP3 2548 81.968 91.521 61.764 1.00 0.00 WT2 O ATOM 29411 H1 TIP3 2548 81.452 92.161 61.274 1.00 0.00 WT2 H ATOM 29412 H2 TIP3 2548 81.800 90.688 61.323 1.00 0.00 WT2 H ATOM 29413 OH2 TIP3 2562 79.646 33.345 -5.793 1.00 0.00 WT2 O ATOM 29414 H1 TIP3 2562 79.316 32.489 -6.064 1.00 0.00 WT2 H ATOM 29415 H2 TIP3 2562 79.125 33.570 -5.022 1.00 0.00 WT2 H ATOM 29416 OH2 TIP3 2563 40.422 52.920 8.404 1.00 0.00 WT2 O ATOM 29417 H1 TIP3 2563 41.230 53.412 8.554 1.00 0.00 WT2 H ATOM 29418 H2 TIP3 2563 40.271 52.450 9.224 1.00 0.00 WT2 H ATOM 29419 OH2 TIP3 2564 33.188 47.870 -13.387 1.00 0.00 WT2 O ATOM 29420 H1 TIP3 2564 33.846 47.176 -13.373 1.00 0.00 WT2 H ATOM 29421 H2 TIP3 2564 32.510 47.571 -12.782 1.00 0.00 WT2 H ATOM 29422 OH2 TIP3 2565 43.400 37.026 1.243 1.00 0.00 WT2 O ATOM 29423 H1 TIP3 2565 43.430 36.786 2.169 1.00 0.00 WT2 H ATOM 29424 H2 TIP3 2565 44.307 37.235 1.020 1.00 0.00 WT2 H ATOM 29425 OH2 TIP3 2566 73.144 93.403 35.426 1.00 0.00 WT2 O ATOM 29426 H1 TIP3 2566 73.722 93.665 36.143 1.00 0.00 WT2 H ATOM 29427 H2 TIP3 2566 73.621 92.707 34.974 1.00 0.00 WT2 H ATOM 29428 OH2 TIP3 2567 52.628 82.888 49.686 1.00 0.00 WT2 O ATOM 29429 H1 TIP3 2567 51.703 82.960 49.451 1.00 0.00 WT2 H ATOM 29430 H2 TIP3 2567 53.026 82.418 48.954 1.00 0.00 WT2 H ATOM 29431 OH2 TIP3 2570 41.854 42.617 29.788 1.00 0.00 WT2 O ATOM 29432 H1 TIP3 2570 42.009 42.070 29.018 1.00 0.00 WT2 H ATOM 29433 H2 TIP3 2570 42.648 43.146 29.869 1.00 0.00 WT2 H ATOM 29434 OH2 TIP3 2573 29.064 24.720 60.102 1.00 0.00 WT2 O ATOM 29435 H1 TIP3 2573 29.031 25.405 60.771 1.00 0.00 WT2 H ATOM 29436 H2 TIP3 2573 28.904 25.182 59.279 1.00 0.00 WT2 H ATOM 29437 OH2 TIP3 2580 32.300 58.078 45.057 1.00 0.00 WT2 O ATOM 29438 H1 TIP3 2580 33.177 58.044 44.676 1.00 0.00 WT2 H ATOM 29439 H2 TIP3 2580 32.356 57.528 45.839 1.00 0.00 WT2 H ATOM 29440 OH2 TIP3 2582 79.377 14.453 52.650 1.00 0.00 WT2 O ATOM 29441 H1 TIP3 2582 78.459 14.588 52.414 1.00 0.00 WT2 H ATOM 29442 H2 TIP3 2582 79.573 13.564 52.353 1.00 0.00 WT2 H ATOM 29443 OH2 TIP3 2584 31.683 93.138 53.122 1.00 0.00 WT2 O ATOM 29444 H1 TIP3 2584 31.962 94.036 52.945 1.00 0.00 WT2 H ATOM 29445 H2 TIP3 2584 31.663 92.719 52.262 1.00 0.00 WT2 H ATOM 29446 OH2 TIP3 2588 73.962 63.625 43.483 1.00 0.00 WT2 O ATOM 29447 H1 TIP3 2588 73.542 63.862 42.656 1.00 0.00 WT2 H ATOM 29448 H2 TIP3 2588 74.066 62.674 43.434 1.00 0.00 WT2 H ATOM 29449 OH2 TIP3 2589 83.661 54.689 -17.461 1.00 0.00 WT2 O ATOM 29450 H1 TIP3 2589 82.919 54.590 -16.864 1.00 0.00 WT2 H ATOM 29451 H2 TIP3 2589 84.432 54.606 -16.901 1.00 0.00 WT2 H ATOM 29452 OH2 TIP3 2606 45.920 80.128 24.975 1.00 0.00 WT2 O ATOM 29453 H1 TIP3 2606 45.782 79.222 25.250 1.00 0.00 WT2 H ATOM 29454 H2 TIP3 2606 45.628 80.653 25.721 1.00 0.00 WT2 H ATOM 29455 OH2 TIP3 2607 51.754 81.979 13.263 1.00 0.00 WT2 O ATOM 29456 H1 TIP3 2607 52.585 81.504 13.238 1.00 0.00 WT2 H ATOM 29457 H2 TIP3 2607 51.144 81.371 13.680 1.00 0.00 WT2 H ATOM 29458 OH2 TIP3 2608 54.954 77.591 6.065 1.00 0.00 WT2 O ATOM 29459 H1 TIP3 2608 55.697 77.430 6.647 1.00 0.00 WT2 H ATOM 29460 H2 TIP3 2608 54.347 76.874 6.247 1.00 0.00 WT2 H ATOM 29461 OH2 TIP3 2610 88.692 7.881 60.990 1.00 0.00 WT2 O ATOM 29462 H1 TIP3 2610 89.363 7.807 61.669 1.00 0.00 WT2 H ATOM 29463 H2 TIP3 2610 89.036 8.536 60.384 1.00 0.00 WT2 H ATOM 29464 OH2 TIP3 2628 77.844 91.146 -12.616 1.00 0.00 WT2 O ATOM 29465 H1 TIP3 2628 77.561 90.811 -13.467 1.00 0.00 WT2 H ATOM 29466 H2 TIP3 2628 78.617 91.675 -12.812 1.00 0.00 WT2 H ATOM 29467 OH2 TIP3 2631 29.108 31.782 31.662 1.00 0.00 WT2 O ATOM 29468 H1 TIP3 2631 28.510 32.366 31.197 1.00 0.00 WT2 H ATOM 29469 H2 TIP3 2631 28.707 31.664 32.523 1.00 0.00 WT2 H ATOM 29470 OH2 TIP3 2632 82.590 21.870 5.866 1.00 0.00 WT2 O ATOM 29471 H1 TIP3 2632 83.351 22.379 6.148 1.00 0.00 WT2 H ATOM 29472 H2 TIP3 2632 81.849 22.281 6.309 1.00 0.00 WT2 H ATOM 29473 OH2 TIP3 2634 21.398 36.111 54.489 1.00 0.00 WT2 O ATOM 29474 H1 TIP3 2634 20.538 36.169 54.074 1.00 0.00 WT2 H ATOM 29475 H2 TIP3 2634 22.020 36.233 53.771 1.00 0.00 WT2 H ATOM 29476 OH2 TIP3 2635 40.777 12.782 13.763 1.00 0.00 WT2 O ATOM 29477 H1 TIP3 2635 41.098 13.574 13.331 1.00 0.00 WT2 H ATOM 29478 H2 TIP3 2635 41.491 12.151 13.668 1.00 0.00 WT2 H ATOM 29479 OH2 TIP3 2643 47.650 94.918 -12.785 1.00 0.00 WT2 O ATOM 29480 H1 TIP3 2643 46.920 94.363 -12.512 1.00 0.00 WT2 H ATOM 29481 H2 TIP3 2643 48.402 94.326 -12.818 1.00 0.00 WT2 H ATOM 29482 OH2 TIP3 2648 36.048 65.777 32.051 1.00 0.00 WT2 O ATOM 29483 H1 TIP3 2648 36.363 66.674 32.166 1.00 0.00 WT2 H ATOM 29484 H2 TIP3 2648 35.575 65.583 32.860 1.00 0.00 WT2 H ATOM 29485 OH2 TIP3 2649 45.226 6.389 -3.232 1.00 0.00 WT2 O ATOM 29486 H1 TIP3 2649 44.967 6.731 -2.377 1.00 0.00 WT2 H ATOM 29487 H2 TIP3 2649 45.878 7.013 -3.552 1.00 0.00 WT2 H ATOM 29488 OH2 TIP3 2650 68.768 6.880 -13.027 1.00 0.00 WT2 O ATOM 29489 H1 TIP3 2650 69.186 7.117 -13.855 1.00 0.00 WT2 H ATOM 29490 H2 TIP3 2650 67.843 6.773 -13.247 1.00 0.00 WT2 H ATOM 29491 OH2 TIP3 2651 44.958 1.931 36.023 1.00 0.00 WT2 O ATOM 29492 H1 TIP3 2651 44.870 1.964 36.976 1.00 0.00 WT2 H ATOM 29493 H2 TIP3 2651 45.825 2.297 35.849 1.00 0.00 WT2 H ATOM 29494 OH2 TIP3 2653 86.657 60.651 56.767 1.00 0.00 WT2 O ATOM 29495 H1 TIP3 2653 86.830 59.783 57.131 1.00 0.00 WT2 H ATOM 29496 H2 TIP3 2653 85.930 60.516 56.160 1.00 0.00 WT2 H ATOM 29497 OH2 TIP3 2654 48.726 23.885 62.543 1.00 0.00 WT2 O ATOM 29498 H1 TIP3 2654 49.320 23.258 62.957 1.00 0.00 WT2 H ATOM 29499 H2 TIP3 2654 48.620 24.580 63.193 1.00 0.00 WT2 H ATOM 29500 OH2 TIP3 2655 69.015 42.384 13.788 1.00 0.00 WT2 O ATOM 29501 H1 TIP3 2655 68.263 42.300 13.201 1.00 0.00 WT2 H ATOM 29502 H2 TIP3 2655 68.646 42.723 14.603 1.00 0.00 WT2 H ATOM 29503 OH2 TIP3 2667 90.015 95.188 -7.315 1.00 0.00 WT2 O ATOM 29504 H1 TIP3 2667 90.536 95.216 -6.512 1.00 0.00 WT2 H ATOM 29505 H2 TIP3 2667 89.570 96.035 -7.342 1.00 0.00 WT2 H ATOM 29506 OH2 TIP3 2668 28.954 54.529 11.747 1.00 0.00 WT2 O ATOM 29507 H1 TIP3 2668 28.127 54.332 11.306 1.00 0.00 WT2 H ATOM 29508 H2 TIP3 2668 28.761 55.293 12.289 1.00 0.00 WT2 H ATOM 29509 OH2 TIP3 2669 58.672 32.395 -6.873 1.00 0.00 WT2 O ATOM 29510 H1 TIP3 2669 57.950 32.555 -6.264 1.00 0.00 WT2 H ATOM 29511 H2 TIP3 2669 59.424 32.831 -6.473 1.00 0.00 WT2 H ATOM 29512 OH2 TIP3 2670 90.031 85.384 65.759 1.00 0.00 WT2 O ATOM 29513 H1 TIP3 2670 90.644 85.363 65.024 1.00 0.00 WT2 H ATOM 29514 H2 TIP3 2670 90.452 84.857 66.438 1.00 0.00 WT2 H ATOM 29515 OH2 TIP3 2672 27.679 79.719 -8.087 1.00 0.00 WT2 O ATOM 29516 H1 TIP3 2672 27.099 79.947 -7.361 1.00 0.00 WT2 H ATOM 29517 H2 TIP3 2672 27.835 80.548 -8.539 1.00 0.00 WT2 H ATOM 29518 OH2 TIP3 2673 48.729 80.032 56.768 1.00 0.00 WT2 O ATOM 29519 H1 TIP3 2673 48.095 80.414 57.375 1.00 0.00 WT2 H ATOM 29520 H2 TIP3 2673 49.509 79.878 57.300 1.00 0.00 WT2 H ATOM 29521 OH2 TIP3 2674 38.347 64.303 46.188 1.00 0.00 WT2 O ATOM 29522 H1 TIP3 2674 38.064 65.152 45.849 1.00 0.00 WT2 H ATOM 29523 H2 TIP3 2674 38.869 63.924 45.480 1.00 0.00 WT2 H ATOM 29524 OH2 TIP3 2676 90.602 92.372 36.545 1.00 0.00 WT2 O ATOM 29525 H1 TIP3 2676 90.969 91.935 35.777 1.00 0.00 WT2 H ATOM 29526 H2 TIP3 2676 90.491 91.672 37.189 1.00 0.00 WT2 H ATOM 29527 OH2 TIP3 2689 50.377 2.846 2.120 1.00 0.00 WT2 O ATOM 29528 H1 TIP3 2689 50.847 3.418 2.726 1.00 0.00 WT2 H ATOM 29529 H2 TIP3 2689 50.592 3.187 1.252 1.00 0.00 WT2 H ATOM 29530 OH2 TIP3 2690 66.628 74.544 -1.510 1.00 0.00 WT2 O ATOM 29531 H1 TIP3 2690 65.923 74.623 -0.867 1.00 0.00 WT2 H ATOM 29532 H2 TIP3 2690 66.210 74.740 -2.349 1.00 0.00 WT2 H ATOM 29533 OH2 TIP3 2691 36.320 87.137 11.325 1.00 0.00 WT2 O ATOM 29534 H1 TIP3 2691 36.916 87.078 10.579 1.00 0.00 WT2 H ATOM 29535 H2 TIP3 2691 35.835 86.311 11.311 1.00 0.00 WT2 H ATOM 29536 OH2 TIP3 2692 63.103 81.667 41.739 1.00 0.00 WT2 O ATOM 29537 H1 TIP3 2692 63.919 81.463 41.281 1.00 0.00 WT2 H ATOM 29538 H2 TIP3 2692 63.163 81.183 42.562 1.00 0.00 WT2 H ATOM 29539 OH2 TIP3 2694 43.655 80.354 50.203 1.00 0.00 WT2 O ATOM 29540 H1 TIP3 2694 43.572 80.211 51.145 1.00 0.00 WT2 H ATOM 29541 H2 TIP3 2694 43.712 81.305 50.108 1.00 0.00 WT2 H ATOM 29542 OH2 TIP3 2695 48.297 22.591 60.043 1.00 0.00 WT2 O ATOM 29543 H1 TIP3 2695 48.459 23.333 60.625 1.00 0.00 WT2 H ATOM 29544 H2 TIP3 2695 49.073 22.549 59.485 1.00 0.00 WT2 H ATOM 29545 OH2 TIP3 2697 58.748 88.148 -10.552 1.00 0.00 WT2 O ATOM 29546 H1 TIP3 2697 59.242 88.102 -11.371 1.00 0.00 WT2 H ATOM 29547 H2 TIP3 2697 59.175 87.513 -9.978 1.00 0.00 WT2 H ATOM 29548 OH2 TIP3 2701 76.157 31.042 -3.451 1.00 0.00 WT2 O ATOM 29549 H1 TIP3 2701 75.340 31.116 -2.958 1.00 0.00 WT2 H ATOM 29550 H2 TIP3 2701 76.208 31.854 -3.955 1.00 0.00 WT2 H ATOM 29551 OH2 TIP3 2709 56.252 3.958 29.234 1.00 0.00 WT2 O ATOM 29552 H1 TIP3 2709 56.540 4.280 30.088 1.00 0.00 WT2 H ATOM 29553 H2 TIP3 2709 56.163 3.012 29.352 1.00 0.00 WT2 H ATOM 29554 OH2 TIP3 2710 38.182 40.938 27.836 1.00 0.00 WT2 O ATOM 29555 H1 TIP3 2710 38.916 41.546 27.749 1.00 0.00 WT2 H ATOM 29556 H2 TIP3 2710 38.572 40.072 27.714 1.00 0.00 WT2 H ATOM 29557 OH2 TIP3 2712 29.724 47.285 33.751 1.00 0.00 WT2 O ATOM 29558 H1 TIP3 2712 29.609 47.592 32.852 1.00 0.00 WT2 H ATOM 29559 H2 TIP3 2712 29.393 46.387 33.741 1.00 0.00 WT2 H ATOM 29560 OH2 TIP3 2713 70.934 21.790 46.656 1.00 0.00 WT2 O ATOM 29561 H1 TIP3 2713 70.993 21.681 47.605 1.00 0.00 WT2 H ATOM 29562 H2 TIP3 2713 70.881 20.898 46.315 1.00 0.00 WT2 H ATOM 29563 OH2 TIP3 2714 67.199 85.308 -19.619 1.00 0.00 WT2 O ATOM 29564 H1 TIP3 2714 67.222 84.561 -20.218 1.00 0.00 WT2 H ATOM 29565 H2 TIP3 2714 67.015 84.923 -18.762 1.00 0.00 WT2 H ATOM 29566 OH2 TIP3 2715 45.639 37.996 4.089 1.00 0.00 WT2 O ATOM 29567 H1 TIP3 2715 45.132 38.725 4.448 1.00 0.00 WT2 H ATOM 29568 H2 TIP3 2715 45.473 37.270 4.690 1.00 0.00 WT2 H ATOM 29569 OH2 TIP3 2717 76.552 12.527 -5.521 1.00 0.00 WT2 O ATOM 29570 H1 TIP3 2717 75.755 12.083 -5.231 1.00 0.00 WT2 H ATOM 29571 H2 TIP3 2717 76.247 13.186 -6.144 1.00 0.00 WT2 H ATOM 29572 OH2 TIP3 2732 65.878 89.856 49.800 1.00 0.00 WT2 O ATOM 29573 H1 TIP3 2732 65.648 89.074 50.303 1.00 0.00 WT2 H ATOM 29574 H2 TIP3 2732 66.558 90.284 50.320 1.00 0.00 WT2 H ATOM 29575 OH2 TIP3 2734 24.075 83.740 65.320 1.00 0.00 WT2 O ATOM 29576 H1 TIP3 2734 24.109 84.676 65.519 1.00 0.00 WT2 H ATOM 29577 H2 TIP3 2734 24.097 83.698 64.364 1.00 0.00 WT2 H ATOM 29578 OH2 TIP3 2735 50.442 33.878 -15.240 1.00 0.00 WT2 O ATOM 29579 H1 TIP3 2735 50.231 33.324 -14.489 1.00 0.00 WT2 H ATOM 29580 H2 TIP3 2735 50.766 34.692 -14.854 1.00 0.00 WT2 H ATOM 29581 OH2 TIP3 2736 86.612 27.150 41.705 1.00 0.00 WT2 O ATOM 29582 H1 TIP3 2736 86.194 26.648 42.404 1.00 0.00 WT2 H ATOM 29583 H2 TIP3 2736 86.527 28.063 41.982 1.00 0.00 WT2 H ATOM 29584 OH2 TIP3 2753 40.764 58.938 -12.390 1.00 0.00 WT2 O ATOM 29585 H1 TIP3 2753 41.312 58.838 -13.169 1.00 0.00 WT2 H ATOM 29586 H2 TIP3 2753 39.945 59.309 -12.720 1.00 0.00 WT2 H ATOM 29587 OH2 TIP3 2754 30.756 37.802 24.252 1.00 0.00 WT2 O ATOM 29588 H1 TIP3 2754 31.297 37.402 24.933 1.00 0.00 WT2 H ATOM 29589 H2 TIP3 2754 31.384 38.113 23.599 1.00 0.00 WT2 H ATOM 29590 OH2 TIP3 2755 77.383 20.141 34.013 1.00 0.00 WT2 O ATOM 29591 H1 TIP3 2755 78.166 19.612 33.858 1.00 0.00 WT2 H ATOM 29592 H2 TIP3 2755 77.018 19.795 34.828 1.00 0.00 WT2 H ATOM 29593 OH2 TIP3 2757 47.700 96.200 5.059 1.00 0.00 WT2 O ATOM 29594 H1 TIP3 2757 48.283 96.596 4.412 1.00 0.00 WT2 H ATOM 29595 H2 TIP3 2757 47.658 96.840 5.769 1.00 0.00 WT2 H ATOM 29596 OH2 TIP3 2758 85.959 77.410 12.222 1.00 0.00 WT2 O ATOM 29597 H1 TIP3 2758 86.868 77.124 12.141 1.00 0.00 WT2 H ATOM 29598 H2 TIP3 2758 85.587 76.841 12.896 1.00 0.00 WT2 H ATOM 29599 OH2 TIP3 2771 36.082 58.016 -15.253 1.00 0.00 WT2 O ATOM 29600 H1 TIP3 2771 37.030 58.110 -15.166 1.00 0.00 WT2 H ATOM 29601 H2 TIP3 2771 35.926 57.075 -15.170 1.00 0.00 WT2 H ATOM 29602 OH2 TIP3 2773 87.239 42.079 32.049 1.00 0.00 WT2 O ATOM 29603 H1 TIP3 2773 86.771 41.245 32.000 1.00 0.00 WT2 H ATOM 29604 H2 TIP3 2773 86.557 42.742 31.940 1.00 0.00 WT2 H ATOM 29605 OH2 TIP3 2774 22.546 25.619 7.608 1.00 0.00 WT2 O ATOM 29606 H1 TIP3 2774 23.477 25.421 7.507 1.00 0.00 WT2 H ATOM 29607 H2 TIP3 2774 22.407 25.640 8.555 1.00 0.00 WT2 H ATOM 29608 OH2 TIP3 2775 85.735 83.767 16.805 1.00 0.00 WT2 O ATOM 29609 H1 TIP3 2775 86.604 84.097 16.575 1.00 0.00 WT2 H ATOM 29610 H2 TIP3 2775 85.783 83.602 17.746 1.00 0.00 WT2 H ATOM 29611 OH2 TIP3 2776 66.033 12.470 17.029 1.00 0.00 WT2 O ATOM 29612 H1 TIP3 2776 65.210 12.940 17.162 1.00 0.00 WT2 H ATOM 29613 H2 TIP3 2776 66.442 12.450 17.894 1.00 0.00 WT2 H ATOM 29614 OH2 TIP3 2777 37.902 9.395 -14.644 1.00 0.00 WT2 O ATOM 29615 H1 TIP3 2777 37.336 8.656 -14.867 1.00 0.00 WT2 H ATOM 29616 H2 TIP3 2777 38.606 9.363 -15.292 1.00 0.00 WT2 H ATOM 29617 OH2 TIP3 2778 79.077 46.375 -18.920 1.00 0.00 WT2 O ATOM 29618 H1 TIP3 2778 79.721 47.006 -18.598 1.00 0.00 WT2 H ATOM 29619 H2 TIP3 2778 78.898 46.652 -19.818 1.00 0.00 WT2 H ATOM 29620 OH2 TIP3 2781 76.020 3.360 45.731 1.00 0.00 WT2 O ATOM 29621 H1 TIP3 2781 76.529 3.812 46.403 1.00 0.00 WT2 H ATOM 29622 H2 TIP3 2781 76.505 2.551 45.566 1.00 0.00 WT2 H ATOM 29623 OH2 TIP3 2793 59.866 66.380 64.954 1.00 0.00 WT2 O ATOM 29624 H1 TIP3 2793 60.640 65.912 64.642 1.00 0.00 WT2 H ATOM 29625 H2 TIP3 2793 59.805 67.148 64.386 1.00 0.00 WT2 H ATOM 29626 OH2 TIP3 2794 40.144 43.134 3.670 1.00 0.00 WT2 O ATOM 29627 H1 TIP3 2794 40.045 42.286 3.238 1.00 0.00 WT2 H ATOM 29628 H2 TIP3 2794 41.078 43.330 3.604 1.00 0.00 WT2 H ATOM 29629 OH2 TIP3 2795 22.866 12.875 50.918 1.00 0.00 WT2 O ATOM 29630 H1 TIP3 2795 23.014 13.571 51.558 1.00 0.00 WT2 H ATOM 29631 H2 TIP3 2795 23.050 13.285 50.072 1.00 0.00 WT2 H ATOM 29632 OH2 TIP3 2796 66.376 16.356 45.300 1.00 0.00 WT2 O ATOM 29633 H1 TIP3 2796 65.723 15.881 44.786 1.00 0.00 WT2 H ATOM 29634 H2 TIP3 2796 66.639 17.086 44.738 1.00 0.00 WT2 H ATOM 29635 OH2 TIP3 2797 28.553 35.112 6.614 1.00 0.00 WT2 O ATOM 29636 H1 TIP3 2797 29.148 35.592 6.038 1.00 0.00 WT2 H ATOM 29637 H2 TIP3 2797 28.632 35.552 7.460 1.00 0.00 WT2 H ATOM 29638 OH2 TIP3 2798 27.570 77.667 44.148 1.00 0.00 WT2 O ATOM 29639 H1 TIP3 2798 28.203 76.953 44.217 1.00 0.00 WT2 H ATOM 29640 H2 TIP3 2798 28.060 78.384 43.745 1.00 0.00 WT2 H ATOM 29641 OH2 TIP3 2802 62.074 17.063 25.872 1.00 0.00 WT2 O ATOM 29642 H1 TIP3 2802 61.583 17.822 25.557 1.00 0.00 WT2 H ATOM 29643 H2 TIP3 2802 61.875 16.371 25.242 1.00 0.00 WT2 H ATOM 29644 OH2 TIP3 2814 64.743 1.556 -5.787 1.00 0.00 WT2 O ATOM 29645 H1 TIP3 2814 64.464 1.312 -4.905 1.00 0.00 WT2 H ATOM 29646 H2 TIP3 2814 63.980 1.379 -6.338 1.00 0.00 WT2 H ATOM 29647 OH2 TIP3 2815 54.160 73.791 57.629 1.00 0.00 WT2 O ATOM 29648 H1 TIP3 2815 54.131 72.847 57.789 1.00 0.00 WT2 H ATOM 29649 H2 TIP3 2815 54.675 74.142 58.355 1.00 0.00 WT2 H ATOM 29650 OH2 TIP3 2817 27.494 90.802 -0.569 1.00 0.00 WT2 O ATOM 29651 H1 TIP3 2817 26.575 90.888 -0.318 1.00 0.00 WT2 H ATOM 29652 H2 TIP3 2817 27.472 90.351 -1.413 1.00 0.00 WT2 H ATOM 29653 OH2 TIP3 2818 33.712 89.281 34.422 1.00 0.00 WT2 O ATOM 29654 H1 TIP3 2818 33.918 90.216 34.429 1.00 0.00 WT2 H ATOM 29655 H2 TIP3 2818 33.485 89.078 35.329 1.00 0.00 WT2 H ATOM 29656 OH2 TIP3 2819 59.303 48.088 36.868 1.00 0.00 WT2 O ATOM 29657 H1 TIP3 2819 59.747 48.475 36.113 1.00 0.00 WT2 H ATOM 29658 H2 TIP3 2819 58.399 48.396 36.798 1.00 0.00 WT2 H ATOM 29659 OH2 TIP3 2820 22.474 48.294 -2.909 1.00 0.00 WT2 O ATOM 29660 H1 TIP3 2820 21.517 48.277 -2.944 1.00 0.00 WT2 H ATOM 29661 H2 TIP3 2820 22.680 48.318 -1.975 1.00 0.00 WT2 H ATOM 29662 OH2 TIP3 2821 51.623 12.692 -0.737 1.00 0.00 WT2 O ATOM 29663 H1 TIP3 2821 51.590 12.019 -0.058 1.00 0.00 WT2 H ATOM 29664 H2 TIP3 2821 52.110 13.412 -0.337 1.00 0.00 WT2 H ATOM 29665 OH2 TIP3 2822 26.805 49.211 20.924 1.00 0.00 WT2 O ATOM 29666 H1 TIP3 2822 26.853 50.117 21.231 1.00 0.00 WT2 H ATOM 29667 H2 TIP3 2822 27.647 48.829 21.171 1.00 0.00 WT2 H ATOM 29668 OH2 TIP3 2823 64.298 60.932 50.546 1.00 0.00 WT2 O ATOM 29669 H1 TIP3 2823 64.215 60.175 49.966 1.00 0.00 WT2 H ATOM 29670 H2 TIP3 2823 64.094 60.591 51.417 1.00 0.00 WT2 H ATOM 29671 OH2 TIP3 2832 90.370 20.315 66.754 1.00 0.00 WT2 O ATOM 29672 H1 TIP3 2832 90.644 21.209 66.959 1.00 0.00 WT2 H ATOM 29673 H2 TIP3 2832 89.905 20.021 67.538 1.00 0.00 WT2 H ATOM 29674 OH2 TIP3 2838 19.905 57.739 47.067 1.00 0.00 WT2 O ATOM 29675 H1 TIP3 2838 20.642 57.489 47.624 1.00 0.00 WT2 H ATOM 29676 H2 TIP3 2838 20.065 58.659 46.856 1.00 0.00 WT2 H ATOM 29677 OH2 TIP3 2839 78.172 89.020 -10.609 1.00 0.00 WT2 O ATOM 29678 H1 TIP3 2839 78.309 88.357 -11.286 1.00 0.00 WT2 H ATOM 29679 H2 TIP3 2839 78.094 89.843 -11.093 1.00 0.00 WT2 H ATOM 29680 OH2 TIP3 2840 24.799 10.813 1.825 1.00 0.00 WT2 O ATOM 29681 H1 TIP3 2840 24.883 10.061 2.410 1.00 0.00 WT2 H ATOM 29682 H2 TIP3 2840 25.243 11.526 2.285 1.00 0.00 WT2 H ATOM 29683 OH2 TIP3 2841 58.958 25.085 -10.217 1.00 0.00 WT2 O ATOM 29684 H1 TIP3 2841 58.196 24.690 -10.640 1.00 0.00 WT2 H ATOM 29685 H2 TIP3 2841 59.687 24.892 -10.807 1.00 0.00 WT2 H ATOM 29686 OH2 TIP3 2842 43.749 85.682 61.874 1.00 0.00 WT2 O ATOM 29687 H1 TIP3 2842 43.806 85.299 60.998 1.00 0.00 WT2 H ATOM 29688 H2 TIP3 2842 44.660 85.786 62.150 1.00 0.00 WT2 H ATOM 29689 OH2 TIP3 2843 40.234 25.555 39.152 1.00 0.00 WT2 O ATOM 29690 H1 TIP3 2843 41.085 25.154 38.973 1.00 0.00 WT2 H ATOM 29691 H2 TIP3 2843 40.260 26.391 38.686 1.00 0.00 WT2 H ATOM 29692 OH2 TIP3 2857 62.999 92.822 58.815 1.00 0.00 WT2 O ATOM 29693 H1 TIP3 2857 62.630 93.068 57.967 1.00 0.00 WT2 H ATOM 29694 H2 TIP3 2857 62.789 91.892 58.907 1.00 0.00 WT2 H ATOM 29695 OH2 TIP3 2859 26.000 86.036 61.001 1.00 0.00 WT2 O ATOM 29696 H1 TIP3 2859 26.633 85.530 60.490 1.00 0.00 WT2 H ATOM 29697 H2 TIP3 2859 26.535 86.535 61.618 1.00 0.00 WT2 H ATOM 29698 OH2 TIP3 2862 55.576 18.259 36.493 1.00 0.00 WT2 O ATOM 29699 H1 TIP3 2862 55.095 18.738 35.818 1.00 0.00 WT2 H ATOM 29700 H2 TIP3 2862 56.496 18.355 36.245 1.00 0.00 WT2 H ATOM 29701 OH2 TIP3 2863 71.664 25.050 64.909 1.00 0.00 WT2 O ATOM 29702 H1 TIP3 2863 71.247 25.585 64.234 1.00 0.00 WT2 H ATOM 29703 H2 TIP3 2863 70.935 24.710 65.429 1.00 0.00 WT2 H ATOM 29704 OH2 TIP3 2877 50.374 8.000 62.787 1.00 0.00 WT2 O ATOM 29705 H1 TIP3 2877 50.856 7.626 63.524 1.00 0.00 WT2 H ATOM 29706 H2 TIP3 2877 50.053 8.842 63.112 1.00 0.00 WT2 H ATOM 29707 OH2 TIP3 2878 88.903 92.646 52.293 1.00 0.00 WT2 O ATOM 29708 H1 TIP3 2878 89.752 93.001 52.030 1.00 0.00 WT2 H ATOM 29709 H2 TIP3 2878 88.623 93.205 53.018 1.00 0.00 WT2 H ATOM 29710 OH2 TIP3 2880 61.236 28.685 1.880 1.00 0.00 WT2 O ATOM 29711 H1 TIP3 2880 61.652 27.958 2.343 1.00 0.00 WT2 H ATOM 29712 H2 TIP3 2880 60.324 28.664 2.170 1.00 0.00 WT2 H ATOM 29713 OH2 TIP3 2882 30.185 65.629 51.705 1.00 0.00 WT2 O ATOM 29714 H1 TIP3 2882 29.640 66.292 52.128 1.00 0.00 WT2 H ATOM 29715 H2 TIP3 2882 31.003 66.083 51.503 1.00 0.00 WT2 H ATOM 29716 OH2 TIP3 2883 31.151 47.927 41.091 1.00 0.00 WT2 O ATOM 29717 H1 TIP3 2883 31.344 47.689 40.185 1.00 0.00 WT2 H ATOM 29718 H2 TIP3 2883 31.761 47.405 41.612 1.00 0.00 WT2 H ATOM 29719 OH2 TIP3 2884 23.494 64.172 47.737 1.00 0.00 WT2 O ATOM 29720 H1 TIP3 2884 23.636 63.244 47.927 1.00 0.00 WT2 H ATOM 29721 H2 TIP3 2884 24.358 64.572 47.836 1.00 0.00 WT2 H ATOM 29722 OH2 TIP3 2899 85.306 3.132 -15.346 1.00 0.00 WT2 O ATOM 29723 H1 TIP3 2899 85.651 3.591 -16.111 1.00 0.00 WT2 H ATOM 29724 H2 TIP3 2899 84.391 3.407 -15.293 1.00 0.00 WT2 H ATOM 29725 OH2 TIP3 2900 38.601 27.754 49.999 1.00 0.00 WT2 O ATOM 29726 H1 TIP3 2900 39.423 27.324 49.765 1.00 0.00 WT2 H ATOM 29727 H2 TIP3 2900 38.674 27.914 50.940 1.00 0.00 WT2 H ATOM 29728 OH2 TIP3 2901 43.361 55.449 -4.677 1.00 0.00 WT2 O ATOM 29729 H1 TIP3 2901 43.487 54.540 -4.404 1.00 0.00 WT2 H ATOM 29730 H2 TIP3 2901 44.185 55.883 -4.458 1.00 0.00 WT2 H ATOM 29731 OH2 TIP3 2902 79.061 30.107 30.563 1.00 0.00 WT2 O ATOM 29732 H1 TIP3 2902 79.634 30.836 30.326 1.00 0.00 WT2 H ATOM 29733 H2 TIP3 2902 78.874 29.670 29.732 1.00 0.00 WT2 H ATOM 29734 OH2 TIP3 2903 66.425 21.870 8.023 1.00 0.00 WT2 O ATOM 29735 H1 TIP3 2903 66.239 21.721 7.096 1.00 0.00 WT2 H ATOM 29736 H2 TIP3 2903 65.608 22.221 8.377 1.00 0.00 WT2 H ATOM 29737 OH2 TIP3 2904 53.648 11.866 -19.518 1.00 0.00 WT2 O ATOM 29738 H1 TIP3 2904 54.334 11.560 -18.925 1.00 0.00 WT2 H ATOM 29739 H2 TIP3 2904 53.531 11.149 -20.140 1.00 0.00 WT2 H ATOM 29740 OH2 TIP3 2905 78.397 61.380 18.362 1.00 0.00 WT2 O ATOM 29741 H1 TIP3 2905 78.779 61.947 19.031 1.00 0.00 WT2 H ATOM 29742 H2 TIP3 2905 78.830 60.535 18.488 1.00 0.00 WT2 H ATOM 29743 OH2 TIP3 2908 57.085 9.337 -8.052 1.00 0.00 WT2 O ATOM 29744 H1 TIP3 2908 57.239 8.741 -8.785 1.00 0.00 WT2 H ATOM 29745 H2 TIP3 2908 56.166 9.591 -8.139 1.00 0.00 WT2 H ATOM 29746 OH2 TIP3 2918 31.368 14.021 40.779 1.00 0.00 WT2 O ATOM 29747 H1 TIP3 2918 31.722 13.939 41.665 1.00 0.00 WT2 H ATOM 29748 H2 TIP3 2918 30.686 14.687 40.853 1.00 0.00 WT2 H ATOM 29749 OH2 TIP3 2919 33.801 27.542 16.889 1.00 0.00 WT2 O ATOM 29750 H1 TIP3 2919 34.190 26.668 16.866 1.00 0.00 WT2 H ATOM 29751 H2 TIP3 2919 33.344 27.623 16.052 1.00 0.00 WT2 H ATOM 29752 OH2 TIP3 2920 62.445 56.891 54.954 1.00 0.00 WT2 O ATOM 29753 H1 TIP3 2920 61.886 56.136 55.139 1.00 0.00 WT2 H ATOM 29754 H2 TIP3 2920 62.539 56.892 54.001 1.00 0.00 WT2 H ATOM 29755 OH2 TIP3 2922 22.806 32.621 30.888 1.00 0.00 WT2 O ATOM 29756 H1 TIP3 2922 23.499 33.281 30.882 1.00 0.00 WT2 H ATOM 29757 H2 TIP3 2922 22.727 32.347 29.975 1.00 0.00 WT2 H ATOM 29758 OH2 TIP3 2923 33.742 67.828 -7.059 1.00 0.00 WT2 O ATOM 29759 H1 TIP3 2923 34.011 68.354 -7.813 1.00 0.00 WT2 H ATOM 29760 H2 TIP3 2923 33.305 67.067 -7.442 1.00 0.00 WT2 H ATOM 29761 OH2 TIP3 2925 62.086 14.876 52.736 1.00 0.00 WT2 O ATOM 29762 H1 TIP3 2925 62.448 14.018 52.957 1.00 0.00 WT2 H ATOM 29763 H2 TIP3 2925 61.719 15.200 53.558 1.00 0.00 WT2 H ATOM 29764 OH2 TIP3 2927 37.543 14.205 -1.350 1.00 0.00 WT2 O ATOM 29765 H1 TIP3 2927 37.613 15.018 -1.850 1.00 0.00 WT2 H ATOM 29766 H2 TIP3 2927 36.905 14.400 -0.664 1.00 0.00 WT2 H ATOM 29767 OH2 TIP3 2938 47.124 20.937 62.362 1.00 0.00 WT2 O ATOM 29768 H1 TIP3 2938 47.540 21.618 61.834 1.00 0.00 WT2 H ATOM 29769 H2 TIP3 2938 47.310 20.123 61.893 1.00 0.00 WT2 H ATOM 29770 OH2 TIP3 2941 51.789 13.891 65.914 1.00 0.00 WT2 O ATOM 29771 H1 TIP3 2941 51.489 13.517 66.743 1.00 0.00 WT2 H ATOM 29772 H2 TIP3 2941 52.016 14.796 66.129 1.00 0.00 WT2 H ATOM 29773 OH2 TIP3 2942 33.824 26.841 -9.000 1.00 0.00 WT2 O ATOM 29774 H1 TIP3 2942 33.590 27.072 -8.101 1.00 0.00 WT2 H ATOM 29775 H2 TIP3 2942 34.760 26.647 -8.962 1.00 0.00 WT2 H ATOM 29776 OH2 TIP3 2943 87.075 33.843 2.861 1.00 0.00 WT2 O ATOM 29777 H1 TIP3 2943 86.478 33.106 2.988 1.00 0.00 WT2 H ATOM 29778 H2 TIP3 2943 86.717 34.539 3.412 1.00 0.00 WT2 H ATOM 29779 OH2 TIP3 2944 68.804 23.036 55.196 1.00 0.00 WT2 O ATOM 29780 H1 TIP3 2944 67.955 23.304 55.546 1.00 0.00 WT2 H ATOM 29781 H2 TIP3 2944 69.288 23.854 55.086 1.00 0.00 WT2 H ATOM 29782 OH2 TIP3 2945 28.567 50.709 46.665 1.00 0.00 WT2 O ATOM 29783 H1 TIP3 2945 28.629 50.845 47.611 1.00 0.00 WT2 H ATOM 29784 H2 TIP3 2945 28.665 51.583 46.290 1.00 0.00 WT2 H ATOM 29785 OH2 TIP3 2946 77.971 13.473 2.667 1.00 0.00 WT2 O ATOM 29786 H1 TIP3 2946 78.506 14.172 3.042 1.00 0.00 WT2 H ATOM 29787 H2 TIP3 2946 78.135 12.717 3.231 1.00 0.00 WT2 H ATOM 29788 OH2 TIP3 2960 35.710 66.956 41.476 1.00 0.00 WT2 O ATOM 29789 H1 TIP3 2960 35.667 67.622 42.162 1.00 0.00 WT2 H ATOM 29790 H2 TIP3 2960 36.646 66.792 41.358 1.00 0.00 WT2 H ATOM 29791 OH2 TIP3 2961 56.176 21.501 -8.861 1.00 0.00 WT2 O ATOM 29792 H1 TIP3 2961 56.263 22.262 -8.287 1.00 0.00 WT2 H ATOM 29793 H2 TIP3 2961 55.775 20.829 -8.310 1.00 0.00 WT2 H ATOM 29794 OH2 TIP3 2963 46.286 21.979 58.240 1.00 0.00 WT2 O ATOM 29795 H1 TIP3 2963 46.965 22.215 58.872 1.00 0.00 WT2 H ATOM 29796 H2 TIP3 2963 45.783 22.784 58.115 1.00 0.00 WT2 H ATOM 29797 OH2 TIP3 2964 39.062 77.421 -15.144 1.00 0.00 WT2 O ATOM 29798 H1 TIP3 2964 39.351 76.655 -14.649 1.00 0.00 WT2 H ATOM 29799 H2 TIP3 2964 39.409 78.168 -14.655 1.00 0.00 WT2 H ATOM 29800 OH2 TIP3 2966 70.576 39.052 57.987 1.00 0.00 WT2 O ATOM 29801 H1 TIP3 2966 69.860 39.668 58.144 1.00 0.00 WT2 H ATOM 29802 H2 TIP3 2966 70.473 38.794 57.071 1.00 0.00 WT2 H ATOM 29803 OH2 TIP3 2967 77.662 50.534 -15.595 1.00 0.00 WT2 O ATOM 29804 H1 TIP3 2967 77.752 49.882 -14.901 1.00 0.00 WT2 H ATOM 29805 H2 TIP3 2967 77.198 50.077 -16.296 1.00 0.00 WT2 H ATOM 29806 OH2 TIP3 2969 49.523 43.053 45.972 1.00 0.00 WT2 O ATOM 29807 H1 TIP3 2969 50.153 43.751 46.152 1.00 0.00 WT2 H ATOM 29808 H2 TIP3 2969 48.845 43.472 45.443 1.00 0.00 WT2 H ATOM 29809 OH2 TIP3 2972 52.133 10.419 38.298 1.00 0.00 WT2 O ATOM 29810 H1 TIP3 2972 52.822 10.401 38.963 1.00 0.00 WT2 H ATOM 29811 H2 TIP3 2972 52.556 10.791 37.524 1.00 0.00 WT2 H ATOM 29812 OH2 TIP3 2979 45.846 61.211 53.110 1.00 0.00 WT2 O ATOM 29813 H1 TIP3 2979 46.452 60.787 52.502 1.00 0.00 WT2 H ATOM 29814 H2 TIP3 2979 45.412 61.884 52.586 1.00 0.00 WT2 H ATOM 29815 OH2 TIP3 2983 30.701 76.022 4.776 1.00 0.00 WT2 O ATOM 29816 H1 TIP3 2983 31.028 76.577 5.484 1.00 0.00 WT2 H ATOM 29817 H2 TIP3 2983 31.292 76.194 4.044 1.00 0.00 WT2 H ATOM 29818 OH2 TIP3 2984 70.312 2.432 25.055 1.00 0.00 WT2 O ATOM 29819 H1 TIP3 2984 70.516 1.519 24.851 1.00 0.00 WT2 H ATOM 29820 H2 TIP3 2984 70.934 2.669 25.743 1.00 0.00 WT2 H ATOM 29821 OH2 TIP3 2986 67.696 82.560 52.418 1.00 0.00 WT2 O ATOM 29822 H1 TIP3 2986 67.372 81.782 51.964 1.00 0.00 WT2 H ATOM 29823 H2 TIP3 2986 68.649 82.491 52.361 1.00 0.00 WT2 H ATOM 29824 OH2 TIP3 2989 59.580 96.285 0.724 1.00 0.00 WT2 O ATOM 29825 H1 TIP3 2989 58.857 96.254 1.350 1.00 0.00 WT2 H ATOM 29826 H2 TIP3 2989 59.876 97.195 0.744 1.00 0.00 WT2 H ATOM 29827 OH2 TIP3 2990 26.460 0.179 43.829 1.00 0.00 WT2 O ATOM 29828 H1 TIP3 2990 26.330 -0.767 43.897 1.00 0.00 WT2 H ATOM 29829 H2 TIP3 2990 26.449 0.488 44.734 1.00 0.00 WT2 H ATOM 29830 OH2 TIP3 2992 26.856 91.747 64.875 1.00 0.00 WT2 O ATOM 29831 H1 TIP3 2992 26.766 92.193 64.033 1.00 0.00 WT2 H ATOM 29832 H2 TIP3 2992 27.154 92.429 65.477 1.00 0.00 WT2 H ATOM 29833 OH2 TIP3 3002 42.770 6.962 47.058 1.00 0.00 WT2 O ATOM 29834 H1 TIP3 3002 42.475 7.192 46.177 1.00 0.00 WT2 H ATOM 29835 H2 TIP3 3002 42.119 7.356 47.639 1.00 0.00 WT2 H ATOM 29836 OH2 TIP3 3006 73.709 11.718 41.318 1.00 0.00 WT2 O ATOM 29837 H1 TIP3 3006 73.071 11.170 41.774 1.00 0.00 WT2 H ATOM 29838 H2 TIP3 3006 74.164 12.189 42.017 1.00 0.00 WT2 H ATOM 29839 OH2 TIP3 3009 36.521 55.562 -14.740 1.00 0.00 WT2 O ATOM 29840 H1 TIP3 3009 36.484 55.630 -13.785 1.00 0.00 WT2 H ATOM 29841 H2 TIP3 3009 37.373 55.164 -14.919 1.00 0.00 WT2 H ATOM 29842 OH2 TIP3 3010 78.301 11.449 54.620 1.00 0.00 WT2 O ATOM 29843 H1 TIP3 3010 78.730 11.465 53.764 1.00 0.00 WT2 H ATOM 29844 H2 TIP3 3010 77.661 12.160 54.581 1.00 0.00 WT2 H ATOM 29845 OH2 TIP3 3011 23.709 60.905 -0.184 1.00 0.00 WT2 O ATOM 29846 H1 TIP3 3011 23.782 61.732 0.294 1.00 0.00 WT2 H ATOM 29847 H2 TIP3 3011 23.470 60.262 0.484 1.00 0.00 WT2 H ATOM 29848 OH2 TIP3 3012 83.336 0.597 -17.695 1.00 0.00 WT2 O ATOM 29849 H1 TIP3 3012 84.291 0.543 -17.728 1.00 0.00 WT2 H ATOM 29850 H2 TIP3 3012 83.083 -0.032 -17.019 1.00 0.00 WT2 H ATOM 29851 OH2 TIP3 3013 67.099 9.567 1.528 1.00 0.00 WT2 O ATOM 29852 H1 TIP3 3013 66.535 10.339 1.508 1.00 0.00 WT2 H ATOM 29853 H2 TIP3 3013 66.702 8.996 2.186 1.00 0.00 WT2 H ATOM 29854 OH2 TIP3 3018 73.903 58.399 59.309 1.00 0.00 WT2 O ATOM 29855 H1 TIP3 3018 73.117 58.908 59.508 1.00 0.00 WT2 H ATOM 29856 H2 TIP3 3018 73.720 57.527 59.659 1.00 0.00 WT2 H ATOM 29857 OH2 TIP3 3027 87.596 14.012 43.667 1.00 0.00 WT2 O ATOM 29858 H1 TIP3 3027 87.217 13.498 44.380 1.00 0.00 WT2 H ATOM 29859 H2 TIP3 3027 88.327 13.482 43.352 1.00 0.00 WT2 H ATOM 29860 OH2 TIP3 3028 71.108 71.300 28.612 1.00 0.00 WT2 O ATOM 29861 H1 TIP3 3028 70.717 72.170 28.690 1.00 0.00 WT2 H ATOM 29862 H2 TIP3 3028 70.768 70.817 29.366 1.00 0.00 WT2 H ATOM 29863 OH2 TIP3 3029 44.597 27.669 38.445 1.00 0.00 WT2 O ATOM 29864 H1 TIP3 3029 44.354 27.762 37.524 1.00 0.00 WT2 H ATOM 29865 H2 TIP3 3029 43.800 27.891 38.927 1.00 0.00 WT2 H ATOM 29866 OH2 TIP3 3046 49.741 78.233 38.706 1.00 0.00 WT2 O ATOM 29867 H1 TIP3 3046 50.458 78.764 39.053 1.00 0.00 WT2 H ATOM 29868 H2 TIP3 3046 49.092 78.218 39.409 1.00 0.00 WT2 H ATOM 29869 OH2 TIP3 3048 82.119 13.022 49.122 1.00 0.00 WT2 O ATOM 29870 H1 TIP3 3048 82.318 12.325 49.748 1.00 0.00 WT2 H ATOM 29871 H2 TIP3 3048 81.942 13.789 49.666 1.00 0.00 WT2 H ATOM 29872 OH2 TIP3 3049 83.443 33.523 52.890 1.00 0.00 WT2 O ATOM 29873 H1 TIP3 3049 83.233 34.382 53.257 1.00 0.00 WT2 H ATOM 29874 H2 TIP3 3049 84.161 33.199 53.433 1.00 0.00 WT2 H ATOM 29875 OH2 TIP3 3050 64.376 61.274 56.015 1.00 0.00 WT2 O ATOM 29876 H1 TIP3 3050 63.704 60.602 56.128 1.00 0.00 WT2 H ATOM 29877 H2 TIP3 3050 65.106 60.978 56.558 1.00 0.00 WT2 H ATOM 29878 OH2 TIP3 3051 56.211 77.218 -6.794 1.00 0.00 WT2 O ATOM 29879 H1 TIP3 3051 55.596 77.021 -7.500 1.00 0.00 WT2 H ATOM 29880 H2 TIP3 3051 56.816 76.477 -6.789 1.00 0.00 WT2 H ATOM 29881 OH2 TIP3 3052 46.074 62.001 59.425 1.00 0.00 WT2 O ATOM 29882 H1 TIP3 3052 46.065 61.376 58.700 1.00 0.00 WT2 H ATOM 29883 H2 TIP3 3052 46.243 62.847 59.010 1.00 0.00 WT2 H ATOM 29884 OH2 TIP3 3067 82.389 83.716 46.093 1.00 0.00 WT2 O ATOM 29885 H1 TIP3 3067 82.553 84.647 46.239 1.00 0.00 WT2 H ATOM 29886 H2 TIP3 3067 82.084 83.664 45.187 1.00 0.00 WT2 H ATOM 29887 OH2 TIP3 3069 38.908 72.683 -1.344 1.00 0.00 WT2 O ATOM 29888 H1 TIP3 3069 38.431 72.036 -1.864 1.00 0.00 WT2 H ATOM 29889 H2 TIP3 3069 38.225 73.207 -0.926 1.00 0.00 WT2 H ATOM 29890 OH2 TIP3 3070 61.421 19.689 7.043 1.00 0.00 WT2 O ATOM 29891 H1 TIP3 3070 60.515 19.987 7.115 1.00 0.00 WT2 H ATOM 29892 H2 TIP3 3070 61.946 20.457 7.269 1.00 0.00 WT2 H ATOM 29893 OH2 TIP3 3072 83.873 93.129 66.690 1.00 0.00 WT2 O ATOM 29894 H1 TIP3 3072 84.058 92.517 67.403 1.00 0.00 WT2 H ATOM 29895 H2 TIP3 3072 83.267 92.656 66.119 1.00 0.00 WT2 H ATOM 29896 OH2 TIP3 3073 83.205 47.626 -19.169 1.00 0.00 WT2 O ATOM 29897 H1 TIP3 3073 82.924 47.578 -18.255 1.00 0.00 WT2 H ATOM 29898 H2 TIP3 3073 82.744 46.906 -19.599 1.00 0.00 WT2 H ATOM 29899 OH2 TIP3 3076 46.083 72.899 48.283 1.00 0.00 WT2 O ATOM 29900 H1 TIP3 3076 45.266 72.461 48.046 1.00 0.00 WT2 H ATOM 29901 H2 TIP3 3076 45.944 73.197 49.182 1.00 0.00 WT2 H ATOM 29902 OH2 TIP3 3085 85.662 85.165 42.614 1.00 0.00 WT2 O ATOM 29903 H1 TIP3 3085 84.807 85.590 42.683 1.00 0.00 WT2 H ATOM 29904 H2 TIP3 3085 85.605 84.414 43.204 1.00 0.00 WT2 H ATOM 29905 OH2 TIP3 3086 30.865 9.327 48.040 1.00 0.00 WT2 O ATOM 29906 H1 TIP3 3086 30.964 10.207 48.404 1.00 0.00 WT2 H ATOM 29907 H2 TIP3 3086 31.755 9.060 47.813 1.00 0.00 WT2 H ATOM 29908 OH2 TIP3 3087 36.618 46.643 39.829 1.00 0.00 WT2 O ATOM 29909 H1 TIP3 3087 37.317 46.622 39.176 1.00 0.00 WT2 H ATOM 29910 H2 TIP3 3087 35.844 46.925 39.343 1.00 0.00 WT2 H ATOM 29911 OH2 TIP3 3088 58.189 38.336 39.234 1.00 0.00 WT2 O ATOM 29912 H1 TIP3 3088 57.679 38.297 38.426 1.00 0.00 WT2 H ATOM 29913 H2 TIP3 3088 58.622 39.190 39.203 1.00 0.00 WT2 H ATOM 29914 OH2 TIP3 3091 39.595 71.349 28.351 1.00 0.00 WT2 O ATOM 29915 H1 TIP3 3091 40.228 70.743 27.966 1.00 0.00 WT2 H ATOM 29916 H2 TIP3 3091 38.982 70.787 28.824 1.00 0.00 WT2 H ATOM 29917 OH2 TIP3 3092 41.234 66.938 -8.276 1.00 0.00 WT2 O ATOM 29918 H1 TIP3 3092 40.347 66.725 -7.986 1.00 0.00 WT2 H ATOM 29919 H2 TIP3 3092 41.668 67.276 -7.493 1.00 0.00 WT2 H ATOM 29920 OH2 TIP3 3093 55.689 52.764 58.398 1.00 0.00 WT2 O ATOM 29921 H1 TIP3 3093 55.780 52.409 57.514 1.00 0.00 WT2 H ATOM 29922 H2 TIP3 3093 54.743 52.833 58.532 1.00 0.00 WT2 H ATOM 29923 OH2 TIP3 3094 61.289 95.160 48.067 1.00 0.00 WT2 O ATOM 29924 H1 TIP3 3094 60.929 95.227 48.952 1.00 0.00 WT2 H ATOM 29925 H2 TIP3 3094 61.014 95.968 47.634 1.00 0.00 WT2 H ATOM 29926 OH2 TIP3 3095 78.586 91.282 63.859 1.00 0.00 WT2 O ATOM 29927 H1 TIP3 3095 79.062 90.458 63.964 1.00 0.00 WT2 H ATOM 29928 H2 TIP3 3095 78.758 91.763 64.668 1.00 0.00 WT2 H ATOM 29929 OH2 TIP3 3097 76.364 45.320 -10.507 1.00 0.00 WT2 O ATOM 29930 H1 TIP3 3097 75.805 45.859 -11.066 1.00 0.00 WT2 H ATOM 29931 H2 TIP3 3097 76.647 45.910 -9.809 1.00 0.00 WT2 H ATOM 29932 OH2 TIP3 3108 39.716 13.733 37.008 1.00 0.00 WT2 O ATOM 29933 H1 TIP3 3108 40.423 13.445 36.430 1.00 0.00 WT2 H ATOM 29934 H2 TIP3 3108 40.146 14.302 37.647 1.00 0.00 WT2 H ATOM 29935 OH2 TIP3 3109 46.382 57.996 63.426 1.00 0.00 WT2 O ATOM 29936 H1 TIP3 3109 46.246 58.767 62.875 1.00 0.00 WT2 H ATOM 29937 H2 TIP3 3109 47.331 57.871 63.433 1.00 0.00 WT2 H ATOM 29938 OH2 TIP3 3110 23.947 58.192 39.482 1.00 0.00 WT2 O ATOM 29939 H1 TIP3 3110 23.309 58.829 39.804 1.00 0.00 WT2 H ATOM 29940 H2 TIP3 3110 24.791 58.637 39.560 1.00 0.00 WT2 H ATOM 29941 OH2 TIP3 3111 48.938 10.141 52.932 1.00 0.00 WT2 O ATOM 29942 H1 TIP3 3111 48.381 9.369 53.032 1.00 0.00 WT2 H ATOM 29943 H2 TIP3 3111 49.716 9.819 52.477 1.00 0.00 WT2 H ATOM 29944 OH2 TIP3 3112 75.559 25.439 43.167 1.00 0.00 WT2 O ATOM 29945 H1 TIP3 3112 74.628 25.537 43.368 1.00 0.00 WT2 H ATOM 29946 H2 TIP3 3112 75.618 24.605 42.701 1.00 0.00 WT2 H ATOM 29947 OH2 TIP3 3114 49.459 28.417 -18.226 1.00 0.00 WT2 O ATOM 29948 H1 TIP3 3114 49.154 27.998 -17.421 1.00 0.00 WT2 H ATOM 29949 H2 TIP3 3114 49.121 29.311 -18.174 1.00 0.00 WT2 H ATOM 29950 OH2 TIP3 3115 22.426 3.424 52.420 1.00 0.00 WT2 O ATOM 29951 H1 TIP3 3115 21.560 3.410 52.827 1.00 0.00 WT2 H ATOM 29952 H2 TIP3 3115 22.630 2.503 52.256 1.00 0.00 WT2 H ATOM 29953 OH2 TIP3 3116 38.684 87.782 24.525 1.00 0.00 WT2 O ATOM 29954 H1 TIP3 3116 39.432 88.259 24.885 1.00 0.00 WT2 H ATOM 29955 H2 TIP3 3116 39.072 87.027 24.081 1.00 0.00 WT2 H ATOM 29956 OH2 TIP3 3128 38.890 9.485 53.053 1.00 0.00 WT2 O ATOM 29957 H1 TIP3 3128 39.359 9.969 52.374 1.00 0.00 WT2 H ATOM 29958 H2 TIP3 3128 38.620 10.155 53.682 1.00 0.00 WT2 H ATOM 29959 OH2 TIP3 3129 51.819 42.137 31.782 1.00 0.00 WT2 O ATOM 29960 H1 TIP3 3129 51.547 42.546 30.961 1.00 0.00 WT2 H ATOM 29961 H2 TIP3 3129 52.482 41.497 31.523 1.00 0.00 WT2 H ATOM 29962 OH2 TIP3 3131 41.845 15.128 50.906 1.00 0.00 WT2 O ATOM 29963 H1 TIP3 3131 41.682 15.864 51.496 1.00 0.00 WT2 H ATOM 29964 H2 TIP3 3131 41.344 15.338 50.117 1.00 0.00 WT2 H ATOM 29965 OH2 TIP3 3134 70.126 26.419 -10.346 1.00 0.00 WT2 O ATOM 29966 H1 TIP3 3134 69.327 26.665 -9.880 1.00 0.00 WT2 H ATOM 29967 H2 TIP3 3134 69.873 26.411 -11.269 1.00 0.00 WT2 H ATOM 29968 OH2 TIP3 3140 72.410 95.968 30.494 1.00 0.00 WT2 O ATOM 29969 H1 TIP3 3140 72.088 95.071 30.405 1.00 0.00 WT2 H ATOM 29970 H2 TIP3 3140 71.747 96.410 31.024 1.00 0.00 WT2 H ATOM 29971 OH2 TIP3 3150 33.363 24.751 -0.735 1.00 0.00 WT2 O ATOM 29972 H1 TIP3 3150 33.257 23.970 -1.277 1.00 0.00 WT2 H ATOM 29973 H2 TIP3 3150 34.018 25.276 -1.195 1.00 0.00 WT2 H ATOM 29974 OH2 TIP3 3151 20.367 87.071 -17.531 1.00 0.00 WT2 O ATOM 29975 H1 TIP3 3151 21.076 86.457 -17.337 1.00 0.00 WT2 H ATOM 29976 H2 TIP3 3151 20.812 87.864 -17.830 1.00 0.00 WT2 H ATOM 29977 OH2 TIP3 3152 33.645 38.538 42.734 1.00 0.00 WT2 O ATOM 29978 H1 TIP3 3152 34.583 38.350 42.711 1.00 0.00 WT2 H ATOM 29979 H2 TIP3 3152 33.558 39.383 42.293 1.00 0.00 WT2 H ATOM 29980 OH2 TIP3 3153 78.521 61.147 21.799 1.00 0.00 WT2 O ATOM 29981 H1 TIP3 3153 78.615 62.054 22.089 1.00 0.00 WT2 H ATOM 29982 H2 TIP3 3153 77.596 60.945 21.938 1.00 0.00 WT2 H ATOM 29983 OH2 TIP3 3154 82.799 84.387 30.689 1.00 0.00 WT2 O ATOM 29984 H1 TIP3 3154 82.164 85.103 30.673 1.00 0.00 WT2 H ATOM 29985 H2 TIP3 3154 82.650 83.953 31.529 1.00 0.00 WT2 H ATOM 29986 OH2 TIP3 3157 51.251 76.452 53.216 1.00 0.00 WT2 O ATOM 29987 H1 TIP3 3157 51.976 76.826 52.717 1.00 0.00 WT2 H ATOM 29988 H2 TIP3 3157 51.012 75.659 52.735 1.00 0.00 WT2 H ATOM 29989 OH2 TIP3 3173 48.558 89.768 38.617 1.00 0.00 WT2 O ATOM 29990 H1 TIP3 3173 48.040 88.984 38.797 1.00 0.00 WT2 H ATOM 29991 H2 TIP3 3173 47.937 90.491 38.708 1.00 0.00 WT2 H ATOM 29992 OH2 TIP3 3174 37.281 62.333 36.446 1.00 0.00 WT2 O ATOM 29993 H1 TIP3 3174 38.014 62.932 36.301 1.00 0.00 WT2 H ATOM 29994 H2 TIP3 3174 36.757 62.397 35.647 1.00 0.00 WT2 H ATOM 29995 OH2 TIP3 3176 69.261 22.464 31.030 1.00 0.00 WT2 O ATOM 29996 H1 TIP3 3176 68.393 22.859 30.950 1.00 0.00 WT2 H ATOM 29997 H2 TIP3 3176 69.704 22.688 30.212 1.00 0.00 WT2 H ATOM 29998 OH2 TIP3 3177 82.672 95.492 31.390 1.00 0.00 WT2 O ATOM 29999 H1 TIP3 3177 83.507 95.156 31.717 1.00 0.00 WT2 H ATOM 30000 H2 TIP3 3177 82.694 95.314 30.450 1.00 0.00 WT2 H ATOM 30001 OH2 TIP3 3179 57.625 81.947 46.833 1.00 0.00 WT2 O ATOM 30002 H1 TIP3 3179 57.408 81.019 46.746 1.00 0.00 WT2 H ATOM 30003 H2 TIP3 3179 56.778 82.393 46.834 1.00 0.00 WT2 H ATOM 30004 OH2 TIP3 3187 87.296 67.308 61.909 1.00 0.00 WT2 O ATOM 30005 H1 TIP3 3187 87.141 67.577 62.814 1.00 0.00 WT2 H ATOM 30006 H2 TIP3 3187 87.821 68.015 61.534 1.00 0.00 WT2 H ATOM 30007 OH2 TIP3 3192 31.564 13.289 9.065 1.00 0.00 WT2 O ATOM 30008 H1 TIP3 3192 31.318 13.363 9.987 1.00 0.00 WT2 H ATOM 30009 H2 TIP3 3192 32.520 13.256 9.074 1.00 0.00 WT2 H ATOM 30010 OH2 TIP3 3193 77.751 4.968 64.691 1.00 0.00 WT2 O ATOM 30011 H1 TIP3 3193 77.672 5.091 63.745 1.00 0.00 WT2 H ATOM 30012 H2 TIP3 3193 77.613 5.841 65.059 1.00 0.00 WT2 H ATOM 30013 OH2 TIP3 3195 28.384 56.957 15.939 1.00 0.00 WT2 O ATOM 30014 H1 TIP3 3195 28.566 57.407 16.763 1.00 0.00 WT2 H ATOM 30015 H2 TIP3 3195 29.087 56.312 15.856 1.00 0.00 WT2 H ATOM 30016 OH2 TIP3 3196 57.223 94.318 -4.418 1.00 0.00 WT2 O ATOM 30017 H1 TIP3 3196 57.127 94.603 -3.509 1.00 0.00 WT2 H ATOM 30018 H2 TIP3 3196 57.151 95.123 -4.930 1.00 0.00 WT2 H ATOM 30019 OH2 TIP3 3197 48.637 5.194 62.484 1.00 0.00 WT2 O ATOM 30020 H1 TIP3 3197 49.267 4.956 63.165 1.00 0.00 WT2 H ATOM 30021 H2 TIP3 3197 47.785 5.148 62.918 1.00 0.00 WT2 H ATOM 30022 OH2 TIP3 3198 68.530 87.719 -1.784 1.00 0.00 WT2 O ATOM 30023 H1 TIP3 3198 68.068 88.347 -1.228 1.00 0.00 WT2 H ATOM 30024 H2 TIP3 3198 69.446 87.790 -1.517 1.00 0.00 WT2 H ATOM 30025 OH2 TIP3 3200 32.190 88.917 -8.022 1.00 0.00 WT2 O ATOM 30026 H1 TIP3 3200 31.281 88.937 -7.722 1.00 0.00 WT2 H ATOM 30027 H2 TIP3 3200 32.602 89.665 -7.588 1.00 0.00 WT2 H ATOM 30028 OH2 TIP3 3202 36.155 32.033 6.913 1.00 0.00 WT2 O ATOM 30029 H1 TIP3 3202 37.036 31.744 7.150 1.00 0.00 WT2 H ATOM 30030 H2 TIP3 3202 35.803 31.320 6.380 1.00 0.00 WT2 H ATOM 30031 OH2 TIP3 3214 26.472 32.056 38.013 1.00 0.00 WT2 O ATOM 30032 H1 TIP3 3214 26.559 32.142 38.962 1.00 0.00 WT2 H ATOM 30033 H2 TIP3 3214 26.096 31.185 37.884 1.00 0.00 WT2 H ATOM 30034 OH2 TIP3 3215 27.591 84.496 48.499 1.00 0.00 WT2 O ATOM 30035 H1 TIP3 3215 26.766 84.433 48.981 1.00 0.00 WT2 H ATOM 30036 H2 TIP3 3215 27.436 85.181 47.848 1.00 0.00 WT2 H ATOM 30037 OH2 TIP3 3218 32.071 29.712 1.484 1.00 0.00 WT2 O ATOM 30038 H1 TIP3 3218 31.560 29.308 0.782 1.00 0.00 WT2 H ATOM 30039 H2 TIP3 3218 31.456 29.791 2.212 1.00 0.00 WT2 H ATOM 30040 OH2 TIP3 3220 53.829 52.360 44.618 1.00 0.00 WT2 O ATOM 30041 H1 TIP3 3220 54.230 52.903 43.939 1.00 0.00 WT2 H ATOM 30042 H2 TIP3 3220 53.876 51.469 44.271 1.00 0.00 WT2 H ATOM 30043 OH2 TIP3 3233 39.747 46.604 51.621 1.00 0.00 WT2 O ATOM 30044 H1 TIP3 3233 40.606 46.238 51.835 1.00 0.00 WT2 H ATOM 30045 H2 TIP3 3233 39.917 47.531 51.451 1.00 0.00 WT2 H ATOM 30046 OH2 TIP3 3234 79.481 91.050 -0.823 1.00 0.00 WT2 O ATOM 30047 H1 TIP3 3234 79.537 91.083 0.132 1.00 0.00 WT2 H ATOM 30048 H2 TIP3 3234 80.265 90.570 -1.093 1.00 0.00 WT2 H ATOM 30049 OH2 TIP3 3236 25.473 29.995 17.051 1.00 0.00 WT2 O ATOM 30050 H1 TIP3 3236 24.961 30.484 17.696 1.00 0.00 WT2 H ATOM 30051 H2 TIP3 3236 26.022 30.656 16.630 1.00 0.00 WT2 H ATOM 30052 OH2 TIP3 3237 79.007 80.904 52.839 1.00 0.00 WT2 O ATOM 30053 H1 TIP3 3237 79.889 81.164 52.573 1.00 0.00 WT2 H ATOM 30054 H2 TIP3 3237 78.858 80.069 52.395 1.00 0.00 WT2 H ATOM 30055 OH2 TIP3 3238 25.816 31.094 19.790 1.00 0.00 WT2 O ATOM 30056 H1 TIP3 3238 25.504 31.976 19.989 1.00 0.00 WT2 H ATOM 30057 H2 TIP3 3238 26.767 31.185 19.720 1.00 0.00 WT2 H ATOM 30058 OH2 TIP3 3239 31.013 77.921 -1.688 1.00 0.00 WT2 O ATOM 30059 H1 TIP3 3239 31.282 77.697 -2.579 1.00 0.00 WT2 H ATOM 30060 H2 TIP3 3239 31.636 78.593 -1.411 1.00 0.00 WT2 H ATOM 30061 OH2 TIP3 3240 77.323 65.058 59.029 1.00 0.00 WT2 O ATOM 30062 H1 TIP3 3240 76.943 65.642 58.373 1.00 0.00 WT2 H ATOM 30063 H2 TIP3 3240 76.582 64.800 59.578 1.00 0.00 WT2 H ATOM 30064 OH2 TIP3 3241 66.936 2.228 30.112 1.00 0.00 WT2 O ATOM 30065 H1 TIP3 3241 67.890 2.278 30.064 1.00 0.00 WT2 H ATOM 30066 H2 TIP3 3241 66.678 1.789 29.301 1.00 0.00 WT2 H ATOM 30067 OH2 TIP3 3242 84.797 17.949 53.773 1.00 0.00 WT2 O ATOM 30068 H1 TIP3 3242 84.907 18.900 53.794 1.00 0.00 WT2 H ATOM 30069 H2 TIP3 3242 85.544 17.632 53.265 1.00 0.00 WT2 H ATOM 30070 OH2 TIP3 3243 72.023 39.566 17.187 1.00 0.00 WT2 O ATOM 30071 H1 TIP3 3243 71.727 39.060 16.430 1.00 0.00 WT2 H ATOM 30072 H2 TIP3 3243 72.971 39.432 17.208 1.00 0.00 WT2 H ATOM 30073 OH2 TIP3 3244 52.297 57.508 -4.291 1.00 0.00 WT2 O ATOM 30074 H1 TIP3 3244 52.402 57.547 -3.340 1.00 0.00 WT2 H ATOM 30075 H2 TIP3 3244 52.145 58.416 -4.553 1.00 0.00 WT2 H ATOM 30076 OH2 TIP3 3257 78.830 33.715 66.216 1.00 0.00 WT2 O ATOM 30077 H1 TIP3 3257 79.265 34.393 66.731 1.00 0.00 WT2 H ATOM 30078 H2 TIP3 3257 78.272 33.256 66.845 1.00 0.00 WT2 H ATOM 30079 OH2 TIP3 3258 58.957 54.055 65.962 1.00 0.00 WT2 O ATOM 30080 H1 TIP3 3258 58.835 55.000 66.051 1.00 0.00 WT2 H ATOM 30081 H2 TIP3 3258 59.740 53.865 66.479 1.00 0.00 WT2 H ATOM 30082 OH2 TIP3 3262 88.065 93.911 41.547 1.00 0.00 WT2 O ATOM 30083 H1 TIP3 3262 87.678 93.049 41.396 1.00 0.00 WT2 H ATOM 30084 H2 TIP3 3262 88.533 93.822 42.377 1.00 0.00 WT2 H ATOM 30085 OH2 TIP3 3274 31.124 16.521 -6.332 1.00 0.00 WT2 O ATOM 30086 H1 TIP3 3274 30.402 16.114 -5.854 1.00 0.00 WT2 H ATOM 30087 H2 TIP3 3274 31.614 17.000 -5.664 1.00 0.00 WT2 H ATOM 30088 OH2 TIP3 3275 88.802 37.832 43.201 1.00 0.00 WT2 O ATOM 30089 H1 TIP3 3275 89.330 37.595 43.963 1.00 0.00 WT2 H ATOM 30090 H2 TIP3 3275 88.473 38.709 43.400 1.00 0.00 WT2 H ATOM 30091 OH2 TIP3 3276 40.144 36.832 2.265 1.00 0.00 WT2 O ATOM 30092 H1 TIP3 3276 40.223 37.054 1.337 1.00 0.00 WT2 H ATOM 30093 H2 TIP3 3276 40.501 37.592 2.725 1.00 0.00 WT2 H ATOM 30094 OH2 TIP3 3277 29.698 42.162 62.436 1.00 0.00 WT2 O ATOM 30095 H1 TIP3 3277 29.772 41.831 63.331 1.00 0.00 WT2 H ATOM 30096 H2 TIP3 3277 30.435 41.764 61.972 1.00 0.00 WT2 H ATOM 30097 OH2 TIP3 3278 58.493 68.226 26.968 1.00 0.00 WT2 O ATOM 30098 H1 TIP3 3278 58.522 67.532 27.626 1.00 0.00 WT2 H ATOM 30099 H2 TIP3 3278 57.872 67.910 26.312 1.00 0.00 WT2 H ATOM 30100 OH2 TIP3 3279 49.913 39.386 63.198 1.00 0.00 WT2 O ATOM 30101 H1 TIP3 3279 50.116 39.447 64.131 1.00 0.00 WT2 H ATOM 30102 H2 TIP3 3279 50.701 39.707 62.759 1.00 0.00 WT2 H ATOM 30103 OH2 TIP3 3280 34.967 79.308 51.056 1.00 0.00 WT2 O ATOM 30104 H1 TIP3 3280 34.248 78.689 51.187 1.00 0.00 WT2 H ATOM 30105 H2 TIP3 3280 34.537 80.159 50.973 1.00 0.00 WT2 H ATOM 30106 OH2 TIP3 3282 34.388 1.430 45.544 1.00 0.00 WT2 O ATOM 30107 H1 TIP3 3282 34.793 0.640 45.186 1.00 0.00 WT2 H ATOM 30108 H2 TIP3 3282 34.622 2.122 44.926 1.00 0.00 WT2 H ATOM 30109 OH2 TIP3 3283 35.186 75.271 29.122 1.00 0.00 WT2 O ATOM 30110 H1 TIP3 3283 35.442 74.998 28.241 1.00 0.00 WT2 H ATOM 30111 H2 TIP3 3283 35.997 75.235 29.630 1.00 0.00 WT2 H ATOM 30112 OH2 TIP3 3284 70.956 44.533 -17.355 1.00 0.00 WT2 O ATOM 30113 H1 TIP3 3284 71.190 45.410 -17.659 1.00 0.00 WT2 H ATOM 30114 H2 TIP3 3284 70.278 44.681 -16.695 1.00 0.00 WT2 H ATOM 30115 OH2 TIP3 3296 76.512 63.460 50.449 1.00 0.00 WT2 O ATOM 30116 H1 TIP3 3296 76.684 64.400 50.395 1.00 0.00 WT2 H ATOM 30117 H2 TIP3 3296 76.257 63.316 51.361 1.00 0.00 WT2 H ATOM 30118 OH2 TIP3 3298 37.232 17.974 24.723 1.00 0.00 WT2 O ATOM 30119 H1 TIP3 3298 37.493 18.639 24.086 1.00 0.00 WT2 H ATOM 30120 H2 TIP3 3298 36.680 18.444 25.348 1.00 0.00 WT2 H ATOM 30121 OH2 TIP3 3301 80.630 5.974 4.643 1.00 0.00 WT2 O ATOM 30122 H1 TIP3 3301 79.992 6.543 5.073 1.00 0.00 WT2 H ATOM 30123 H2 TIP3 3301 81.028 6.525 3.969 1.00 0.00 WT2 H ATOM 30124 OH2 TIP3 3302 84.475 14.917 44.006 1.00 0.00 WT2 O ATOM 30125 H1 TIP3 3302 84.008 14.184 44.408 1.00 0.00 WT2 H ATOM 30126 H2 TIP3 3302 83.859 15.649 44.053 1.00 0.00 WT2 H ATOM 30127 OH2 TIP3 3303 36.838 84.438 47.505 1.00 0.00 WT2 O ATOM 30128 H1 TIP3 3303 36.751 84.141 48.411 1.00 0.00 WT2 H ATOM 30129 H2 TIP3 3303 37.653 84.041 47.200 1.00 0.00 WT2 H ATOM 30130 OH2 TIP3 3304 63.381 22.148 24.521 1.00 0.00 WT2 O ATOM 30131 H1 TIP3 3304 62.767 22.878 24.441 1.00 0.00 WT2 H ATOM 30132 H2 TIP3 3304 62.902 21.485 25.018 1.00 0.00 WT2 H ATOM 30133 OH2 TIP3 3308 46.393 85.236 -1.793 1.00 0.00 WT2 O ATOM 30134 H1 TIP3 3308 47.018 84.523 -1.923 1.00 0.00 WT2 H ATOM 30135 H2 TIP3 3308 46.882 85.897 -1.302 1.00 0.00 WT2 H ATOM 30136 OH2 TIP3 3317 32.970 83.719 9.922 1.00 0.00 WT2 O ATOM 30137 H1 TIP3 3317 33.446 82.908 9.747 1.00 0.00 WT2 H ATOM 30138 H2 TIP3 3317 32.129 83.604 9.479 1.00 0.00 WT2 H ATOM 30139 OH2 TIP3 3319 54.158 15.428 -11.584 1.00 0.00 WT2 O ATOM 30140 H1 TIP3 3319 53.770 15.542 -10.716 1.00 0.00 WT2 H ATOM 30141 H2 TIP3 3319 53.579 15.914 -12.172 1.00 0.00 WT2 H ATOM 30142 OH2 TIP3 3320 49.296 32.875 45.034 1.00 0.00 WT2 O ATOM 30143 H1 TIP3 3320 49.232 33.788 45.316 1.00 0.00 WT2 H ATOM 30144 H2 TIP3 3320 50.056 32.857 44.452 1.00 0.00 WT2 H ATOM 30145 OH2 TIP3 3321 49.427 31.069 -6.668 1.00 0.00 WT2 O ATOM 30146 H1 TIP3 3321 48.555 30.705 -6.514 1.00 0.00 WT2 H ATOM 30147 H2 TIP3 3321 49.972 30.686 -5.981 1.00 0.00 WT2 H ATOM 30148 OH2 TIP3 3322 29.452 16.282 37.792 1.00 0.00 WT2 O ATOM 30149 H1 TIP3 3322 30.085 15.570 37.703 1.00 0.00 WT2 H ATOM 30150 H2 TIP3 3322 29.954 17.075 37.605 1.00 0.00 WT2 H ATOM 30151 OH2 TIP3 3323 65.670 3.994 13.497 1.00 0.00 WT2 O ATOM 30152 H1 TIP3 3323 66.395 4.609 13.604 1.00 0.00 WT2 H ATOM 30153 H2 TIP3 3323 64.963 4.361 14.028 1.00 0.00 WT2 H ATOM 30154 OH2 TIP3 3326 70.569 48.150 -17.445 1.00 0.00 WT2 O ATOM 30155 H1 TIP3 3326 70.267 48.432 -16.582 1.00 0.00 WT2 H ATOM 30156 H2 TIP3 3326 69.881 48.437 -18.045 1.00 0.00 WT2 H ATOM 30157 OH2 TIP3 3337 81.336 17.775 54.918 1.00 0.00 WT2 O ATOM 30158 H1 TIP3 3337 81.333 16.827 54.787 1.00 0.00 WT2 H ATOM 30159 H2 TIP3 3337 81.876 18.114 54.204 1.00 0.00 WT2 H ATOM 30160 OH2 TIP3 3341 89.575 12.690 45.800 1.00 0.00 WT2 O ATOM 30161 H1 TIP3 3341 90.114 12.272 45.129 1.00 0.00 WT2 H ATOM 30162 H2 TIP3 3341 89.402 11.996 46.436 1.00 0.00 WT2 H ATOM 30163 OH2 TIP3 3342 38.839 52.848 60.888 1.00 0.00 WT2 O ATOM 30164 H1 TIP3 3342 37.891 52.803 60.768 1.00 0.00 WT2 H ATOM 30165 H2 TIP3 3342 39.134 53.484 60.236 1.00 0.00 WT2 H ATOM 30166 OH2 TIP3 3344 27.382 37.137 42.867 1.00 0.00 WT2 O ATOM 30167 H1 TIP3 3344 28.339 37.169 42.865 1.00 0.00 WT2 H ATOM 30168 H2 TIP3 3344 27.112 38.012 42.591 1.00 0.00 WT2 H ATOM 30169 OH2 TIP3 3345 65.966 67.335 44.035 1.00 0.00 WT2 O ATOM 30170 H1 TIP3 3345 66.108 66.412 43.825 1.00 0.00 WT2 H ATOM 30171 H2 TIP3 3345 65.382 67.651 43.346 1.00 0.00 WT2 H ATOM 30172 OH2 TIP3 3347 58.305 27.960 -6.834 1.00 0.00 WT2 O ATOM 30173 H1 TIP3 3347 58.178 28.483 -6.043 1.00 0.00 WT2 H ATOM 30174 H2 TIP3 3347 58.335 27.056 -6.522 1.00 0.00 WT2 H ATOM 30175 OH2 TIP3 3348 26.893 49.386 24.581 1.00 0.00 WT2 O ATOM 30176 H1 TIP3 3348 27.654 49.380 25.162 1.00 0.00 WT2 H ATOM 30177 H2 TIP3 3348 26.982 48.588 24.060 1.00 0.00 WT2 H ATOM 30178 OH2 TIP3 3349 90.369 17.225 61.150 1.00 0.00 WT2 O ATOM 30179 H1 TIP3 3349 90.858 17.026 60.352 1.00 0.00 WT2 H ATOM 30180 H2 TIP3 3349 90.981 17.729 61.687 1.00 0.00 WT2 H ATOM 30181 OH2 TIP3 3360 90.375 -0.320 37.060 1.00 0.00 WT2 O ATOM 30182 H1 TIP3 3360 90.556 0.406 37.657 1.00 0.00 WT2 H ATOM 30183 H2 TIP3 3360 89.692 0.012 36.477 1.00 0.00 WT2 H ATOM 30184 OH2 TIP3 3361 66.968 90.706 31.670 1.00 0.00 WT2 O ATOM 30185 H1 TIP3 3361 67.053 90.490 32.598 1.00 0.00 WT2 H ATOM 30186 H2 TIP3 3361 66.045 90.551 31.470 1.00 0.00 WT2 H ATOM 30187 OH2 TIP3 3362 82.100 87.982 65.354 1.00 0.00 WT2 O ATOM 30188 H1 TIP3 3362 81.875 88.741 65.892 1.00 0.00 WT2 H ATOM 30189 H2 TIP3 3362 82.461 87.347 65.974 1.00 0.00 WT2 H ATOM 30190 OH2 TIP3 3363 60.014 38.858 4.049 1.00 0.00 WT2 O ATOM 30191 H1 TIP3 3363 59.521 38.439 3.343 1.00 0.00 WT2 H ATOM 30192 H2 TIP3 3363 59.376 39.425 4.482 1.00 0.00 WT2 H ATOM 30193 OH2 TIP3 3364 75.852 83.217 24.158 1.00 0.00 WT2 O ATOM 30194 H1 TIP3 3364 76.552 82.904 23.585 1.00 0.00 WT2 H ATOM 30195 H2 TIP3 3364 75.048 83.054 23.666 1.00 0.00 WT2 H ATOM 30196 OH2 TIP3 3366 25.654 49.538 27.362 1.00 0.00 WT2 O ATOM 30197 H1 TIP3 3366 24.699 49.469 27.351 1.00 0.00 WT2 H ATOM 30198 H2 TIP3 3366 25.906 49.528 26.439 1.00 0.00 WT2 H ATOM 30199 OH2 TIP3 3367 62.899 14.298 -17.591 1.00 0.00 WT2 O ATOM 30200 H1 TIP3 3367 63.151 14.173 -18.506 1.00 0.00 WT2 H ATOM 30201 H2 TIP3 3367 63.060 13.449 -17.180 1.00 0.00 WT2 H ATOM 30202 OH2 TIP3 3381 54.670 7.066 0.616 1.00 0.00 WT2 O ATOM 30203 H1 TIP3 3381 55.624 7.002 0.573 1.00 0.00 WT2 H ATOM 30204 H2 TIP3 3381 54.433 7.619 -0.129 1.00 0.00 WT2 H ATOM 30205 OH2 TIP3 3382 24.990 83.549 20.443 1.00 0.00 WT2 O ATOM 30206 H1 TIP3 3382 24.784 84.459 20.655 1.00 0.00 WT2 H ATOM 30207 H2 TIP3 3382 24.459 83.356 19.670 1.00 0.00 WT2 H ATOM 30208 OH2 TIP3 3383 86.438 51.148 -10.939 1.00 0.00 WT2 O ATOM 30209 H1 TIP3 3383 86.760 50.870 -10.082 1.00 0.00 WT2 H ATOM 30210 H2 TIP3 3383 86.487 50.361 -11.481 1.00 0.00 WT2 H ATOM 30211 OH2 TIP3 3384 31.508 48.460 -10.082 1.00 0.00 WT2 O ATOM 30212 H1 TIP3 3384 30.784 48.456 -9.456 1.00 0.00 WT2 H ATOM 30213 H2 TIP3 3384 31.452 49.316 -10.507 1.00 0.00 WT2 H ATOM 30214 OH2 TIP3 3386 63.611 24.897 -0.764 1.00 0.00 WT2 O ATOM 30215 H1 TIP3 3386 63.781 25.539 -0.074 1.00 0.00 WT2 H ATOM 30216 H2 TIP3 3386 62.683 24.684 -0.671 1.00 0.00 WT2 H ATOM 30217 OH2 TIP3 3387 64.371 49.318 -19.662 1.00 0.00 WT2 O ATOM 30218 H1 TIP3 3387 64.180 50.222 -19.410 1.00 0.00 WT2 H ATOM 30219 H2 TIP3 3387 63.981 48.788 -18.968 1.00 0.00 WT2 H ATOM 30220 OH2 TIP3 3388 88.856 4.829 -20.062 1.00 0.00 WT2 O ATOM 30221 H1 TIP3 3388 88.810 5.778 -20.178 1.00 0.00 WT2 H ATOM 30222 H2 TIP3 3388 89.297 4.710 -19.221 1.00 0.00 WT2 H ATOM 30223 OH2 TIP3 3389 28.351 59.597 -19.593 1.00 0.00 WT2 O ATOM 30224 H1 TIP3 3389 28.307 59.184 -18.731 1.00 0.00 WT2 H ATOM 30225 H2 TIP3 3389 27.495 59.426 -19.986 1.00 0.00 WT2 H ATOM 30226 OH2 TIP3 3402 31.794 61.094 46.394 1.00 0.00 WT2 O ATOM 30227 H1 TIP3 3402 32.228 60.909 45.561 1.00 0.00 WT2 H ATOM 30228 H2 TIP3 3402 32.322 60.634 47.046 1.00 0.00 WT2 H ATOM 30229 OH2 TIP3 3404 40.051 72.177 35.890 1.00 0.00 WT2 O ATOM 30230 H1 TIP3 3404 40.305 73.099 35.908 1.00 0.00 WT2 H ATOM 30231 H2 TIP3 3404 39.589 72.038 36.717 1.00 0.00 WT2 H ATOM 30232 OH2 TIP3 3405 60.599 71.926 -6.577 1.00 0.00 WT2 O ATOM 30233 H1 TIP3 3405 59.647 71.869 -6.497 1.00 0.00 WT2 H ATOM 30234 H2 TIP3 3405 60.931 71.570 -5.752 1.00 0.00 WT2 H ATOM 30235 OH2 TIP3 3406 30.286 62.976 -11.163 1.00 0.00 WT2 O ATOM 30236 H1 TIP3 3406 30.753 62.361 -11.728 1.00 0.00 WT2 H ATOM 30237 H2 TIP3 3406 30.052 62.462 -10.390 1.00 0.00 WT2 H ATOM 30238 OH2 TIP3 3407 78.121 35.403 54.004 1.00 0.00 WT2 O ATOM 30239 H1 TIP3 3407 77.876 34.733 53.366 1.00 0.00 WT2 H ATOM 30240 H2 TIP3 3407 77.302 35.857 54.203 1.00 0.00 WT2 H ATOM 30241 OH2 TIP3 3408 87.123 51.834 39.763 1.00 0.00 WT2 O ATOM 30242 H1 TIP3 3408 86.378 51.723 40.354 1.00 0.00 WT2 H ATOM 30243 H2 TIP3 3408 87.418 52.731 39.915 1.00 0.00 WT2 H ATOM 30244 OH2 TIP3 3409 60.438 55.142 52.033 1.00 0.00 WT2 O ATOM 30245 H1 TIP3 3409 60.938 54.326 52.044 1.00 0.00 WT2 H ATOM 30246 H2 TIP3 3409 59.573 54.889 51.711 1.00 0.00 WT2 H ATOM 30247 OH2 TIP3 3411 22.942 6.561 60.839 1.00 0.00 WT2 O ATOM 30248 H1 TIP3 3411 23.689 6.531 61.438 1.00 0.00 WT2 H ATOM 30249 H2 TIP3 3411 22.619 7.459 60.904 1.00 0.00 WT2 H ATOM 30250 OH2 TIP3 3422 83.276 48.851 -12.098 1.00 0.00 WT2 O ATOM 30251 H1 TIP3 3422 83.055 49.586 -12.670 1.00 0.00 WT2 H ATOM 30252 H2 TIP3 3422 84.226 48.902 -11.996 1.00 0.00 WT2 H ATOM 30253 OH2 TIP3 3424 47.518 38.616 -11.656 1.00 0.00 WT2 O ATOM 30254 H1 TIP3 3424 48.113 38.383 -10.944 1.00 0.00 WT2 H ATOM 30255 H2 TIP3 3424 47.043 37.807 -11.847 1.00 0.00 WT2 H ATOM 30256 OH2 TIP3 3426 76.840 5.461 57.026 1.00 0.00 WT2 O ATOM 30257 H1 TIP3 3426 77.532 6.033 57.359 1.00 0.00 WT2 H ATOM 30258 H2 TIP3 3426 77.087 5.290 56.117 1.00 0.00 WT2 H ATOM 30259 OH2 TIP3 3427 89.229 36.938 -2.538 1.00 0.00 WT2 O ATOM 30260 H1 TIP3 3427 89.101 37.848 -2.271 1.00 0.00 WT2 H ATOM 30261 H2 TIP3 3427 89.522 36.494 -1.742 1.00 0.00 WT2 H ATOM 30262 OH2 TIP3 3428 87.125 21.964 55.642 1.00 0.00 WT2 O ATOM 30263 H1 TIP3 3428 87.239 22.307 54.756 1.00 0.00 WT2 H ATOM 30264 H2 TIP3 3428 86.185 21.795 55.715 1.00 0.00 WT2 H ATOM 30265 OH2 TIP3 3429 87.200 90.526 -16.449 1.00 0.00 WT2 O ATOM 30266 H1 TIP3 3429 87.258 89.788 -17.056 1.00 0.00 WT2 H ATOM 30267 H2 TIP3 3429 86.687 90.191 -15.713 1.00 0.00 WT2 H ATOM 30268 OH2 TIP3 3430 35.252 57.315 38.691 1.00 0.00 WT2 O ATOM 30269 H1 TIP3 3430 36.159 57.619 38.689 1.00 0.00 WT2 H ATOM 30270 H2 TIP3 3430 34.730 58.114 38.766 1.00 0.00 WT2 H ATOM 30271 OH2 TIP3 3431 86.298 49.963 -1.527 1.00 0.00 WT2 O ATOM 30272 H1 TIP3 3431 86.659 49.575 -0.730 1.00 0.00 WT2 H ATOM 30273 H2 TIP3 3431 85.642 50.586 -1.215 1.00 0.00 WT2 H ATOM 30274 OH2 TIP3 3442 66.204 47.859 -9.056 1.00 0.00 WT2 O ATOM 30275 H1 TIP3 3442 67.114 47.665 -9.280 1.00 0.00 WT2 H ATOM 30276 H2 TIP3 3442 65.758 47.013 -9.107 1.00 0.00 WT2 H ATOM 30277 OH2 TIP3 3444 72.942 26.373 43.116 1.00 0.00 WT2 O ATOM 30278 H1 TIP3 3444 73.184 27.064 42.500 1.00 0.00 WT2 H ATOM 30279 H2 TIP3 3444 72.253 25.883 42.668 1.00 0.00 WT2 H ATOM 30280 OH2 TIP3 3446 40.799 17.838 -19.409 1.00 0.00 WT2 O ATOM 30281 H1 TIP3 3446 40.771 16.936 -19.092 1.00 0.00 WT2 H ATOM 30282 H2 TIP3 3446 40.665 18.373 -18.626 1.00 0.00 WT2 H ATOM 30283 OH2 TIP3 3447 89.596 3.033 43.225 1.00 0.00 WT2 O ATOM 30284 H1 TIP3 3447 89.131 3.362 43.994 1.00 0.00 WT2 H ATOM 30285 H2 TIP3 3447 89.065 2.298 42.920 1.00 0.00 WT2 H ATOM 30286 OH2 TIP3 3449 54.269 65.461 44.821 1.00 0.00 WT2 O ATOM 30287 H1 TIP3 3449 53.763 64.651 44.893 1.00 0.00 WT2 H ATOM 30288 H2 TIP3 3449 54.649 65.584 45.691 1.00 0.00 WT2 H ATOM 30289 OH2 TIP3 3450 28.488 49.159 -18.425 1.00 0.00 WT2 O ATOM 30290 H1 TIP3 3450 28.547 49.853 -19.082 1.00 0.00 WT2 H ATOM 30291 H2 TIP3 3450 29.208 48.566 -18.637 1.00 0.00 WT2 H ATOM 30292 OH2 TIP3 3465 37.834 34.012 64.248 1.00 0.00 WT2 O ATOM 30293 H1 TIP3 3465 37.615 34.887 63.927 1.00 0.00 WT2 H ATOM 30294 H2 TIP3 3465 38.670 33.805 63.830 1.00 0.00 WT2 H ATOM 30295 OH2 TIP3 3466 27.701 59.618 20.029 1.00 0.00 WT2 O ATOM 30296 H1 TIP3 3466 28.062 59.450 20.899 1.00 0.00 WT2 H ATOM 30297 H2 TIP3 3466 28.052 60.475 19.785 1.00 0.00 WT2 H ATOM 30298 OH2 TIP3 3467 72.985 8.101 44.578 1.00 0.00 WT2 O ATOM 30299 H1 TIP3 3467 72.370 7.389 44.399 1.00 0.00 WT2 H ATOM 30300 H2 TIP3 3467 73.674 7.696 45.104 1.00 0.00 WT2 H ATOM 30301 OH2 TIP3 3470 31.548 34.272 33.837 1.00 0.00 WT2 O ATOM 30302 H1 TIP3 3470 31.184 33.442 34.148 1.00 0.00 WT2 H ATOM 30303 H2 TIP3 3470 31.481 34.221 32.883 1.00 0.00 WT2 H ATOM 30304 OH2 TIP3 3471 36.324 94.160 44.212 1.00 0.00 WT2 O ATOM 30305 H1 TIP3 3471 36.664 94.133 43.317 1.00 0.00 WT2 H ATOM 30306 H2 TIP3 3471 36.884 93.556 44.699 1.00 0.00 WT2 H ATOM 30307 OH2 TIP3 3472 48.632 89.627 -4.579 1.00 0.00 WT2 O ATOM 30308 H1 TIP3 3472 48.024 89.416 -5.287 1.00 0.00 WT2 H ATOM 30309 H2 TIP3 3472 49.144 88.827 -4.457 1.00 0.00 WT2 H ATOM 30310 OH2 TIP3 3473 27.751 40.147 16.292 1.00 0.00 WT2 O ATOM 30311 H1 TIP3 3473 28.192 39.589 15.652 1.00 0.00 WT2 H ATOM 30312 H2 TIP3 3473 27.867 41.036 15.956 1.00 0.00 WT2 H ATOM 30313 OH2 TIP3 3484 71.602 72.309 60.152 1.00 0.00 WT2 O ATOM 30314 H1 TIP3 3484 71.053 72.850 59.584 1.00 0.00 WT2 H ATOM 30315 H2 TIP3 3484 71.610 71.450 59.731 1.00 0.00 WT2 H ATOM 30316 OH2 TIP3 3486 36.208 34.016 47.410 1.00 0.00 WT2 O ATOM 30317 H1 TIP3 3486 36.054 34.828 47.891 1.00 0.00 WT2 H ATOM 30318 H2 TIP3 3486 36.101 33.325 48.064 1.00 0.00 WT2 H ATOM 30319 OH2 TIP3 3488 35.344 55.074 28.524 1.00 0.00 WT2 O ATOM 30320 H1 TIP3 3488 36.289 55.163 28.397 1.00 0.00 WT2 H ATOM 30321 H2 TIP3 3488 35.004 55.963 28.419 1.00 0.00 WT2 H ATOM 30322 OH2 TIP3 3489 62.122 57.830 -15.896 1.00 0.00 WT2 O ATOM 30323 H1 TIP3 3489 61.514 57.116 -15.701 1.00 0.00 WT2 H ATOM 30324 H2 TIP3 3489 62.119 58.369 -15.105 1.00 0.00 WT2 H ATOM 30325 OH2 TIP3 3490 30.997 75.220 -12.850 1.00 0.00 WT2 O ATOM 30326 H1 TIP3 3490 31.869 75.403 -12.499 1.00 0.00 WT2 H ATOM 30327 H2 TIP3 3490 30.904 74.270 -12.780 1.00 0.00 WT2 H ATOM 30328 OH2 TIP3 3494 36.110 36.218 49.084 1.00 0.00 WT2 O ATOM 30329 H1 TIP3 3494 36.224 36.762 49.863 1.00 0.00 WT2 H ATOM 30330 H2 TIP3 3494 35.581 36.754 48.493 1.00 0.00 WT2 H ATOM 30331 OH2 TIP3 3495 64.386 25.376 -15.526 1.00 0.00 WT2 O ATOM 30332 H1 TIP3 3495 64.669 24.795 -16.232 1.00 0.00 WT2 H ATOM 30333 H2 TIP3 3495 63.904 26.074 -15.969 1.00 0.00 WT2 H ATOM 30334 OH2 TIP3 3508 32.633 56.703 32.058 1.00 0.00 WT2 O ATOM 30335 H1 TIP3 3508 33.414 57.222 32.253 1.00 0.00 WT2 H ATOM 30336 H2 TIP3 3508 32.005 56.952 32.736 1.00 0.00 WT2 H ATOM 30337 OH2 TIP3 3510 54.863 44.219 52.277 1.00 0.00 WT2 O ATOM 30338 H1 TIP3 3510 55.627 44.776 52.423 1.00 0.00 WT2 H ATOM 30339 H2 TIP3 3510 54.192 44.573 52.861 1.00 0.00 WT2 H ATOM 30340 OH2 TIP3 3511 26.627 69.585 27.436 1.00 0.00 WT2 O ATOM 30341 H1 TIP3 3511 26.248 68.773 27.770 1.00 0.00 WT2 H ATOM 30342 H2 TIP3 3511 27.569 69.485 27.575 1.00 0.00 WT2 H ATOM 30343 OH2 TIP3 3512 90.188 43.876 60.371 1.00 0.00 WT2 O ATOM 30344 H1 TIP3 3512 89.289 43.546 60.361 1.00 0.00 WT2 H ATOM 30345 H2 TIP3 3512 90.684 43.238 59.858 1.00 0.00 WT2 H ATOM 30346 OH2 TIP3 3513 23.782 11.424 -18.109 1.00 0.00 WT2 O ATOM 30347 H1 TIP3 3513 23.509 10.720 -17.521 1.00 0.00 WT2 H ATOM 30348 H2 TIP3 3513 23.995 10.982 -18.931 1.00 0.00 WT2 H ATOM 30349 OH2 TIP3 3514 52.430 81.031 19.663 1.00 0.00 WT2 O ATOM 30350 H1 TIP3 3514 51.693 81.507 20.047 1.00 0.00 WT2 H ATOM 30351 H2 TIP3 3514 53.149 81.663 19.661 1.00 0.00 WT2 H ATOM 30352 OH2 TIP3 3516 56.760 40.823 66.561 1.00 0.00 WT2 O ATOM 30353 H1 TIP3 3516 56.306 41.638 66.346 1.00 0.00 WT2 H ATOM 30354 H2 TIP3 3516 56.447 40.598 67.437 1.00 0.00 WT2 H ATOM 30355 OH2 TIP3 3526 53.480 32.010 -10.203 1.00 0.00 WT2 O ATOM 30356 H1 TIP3 3526 54.222 32.615 -10.218 1.00 0.00 WT2 H ATOM 30357 H2 TIP3 3526 53.127 32.086 -9.316 1.00 0.00 WT2 H ATOM 30358 OH2 TIP3 3527 70.499 95.724 50.252 1.00 0.00 WT2 O ATOM 30359 H1 TIP3 3527 70.536 96.499 50.813 1.00 0.00 WT2 H ATOM 30360 H2 TIP3 3527 70.988 95.972 49.468 1.00 0.00 WT2 H ATOM 30361 OH2 TIP3 3530 34.888 2.828 -7.579 1.00 0.00 WT2 O ATOM 30362 H1 TIP3 3530 35.055 2.009 -8.045 1.00 0.00 WT2 H ATOM 30363 H2 TIP3 3530 34.358 3.346 -8.185 1.00 0.00 WT2 H ATOM 30364 OH2 TIP3 3531 27.225 25.156 2.821 1.00 0.00 WT2 O ATOM 30365 H1 TIP3 3531 26.932 24.404 3.336 1.00 0.00 WT2 H ATOM 30366 H2 TIP3 3531 27.608 25.752 3.464 1.00 0.00 WT2 H ATOM 30367 OH2 TIP3 3533 49.155 72.434 62.861 1.00 0.00 WT2 O ATOM 30368 H1 TIP3 3533 48.806 71.683 62.382 1.00 0.00 WT2 H ATOM 30369 H2 TIP3 3533 50.104 72.356 62.773 1.00 0.00 WT2 H ATOM 30370 OH2 TIP3 3534 59.193 2.106 5.634 1.00 0.00 WT2 O ATOM 30371 H1 TIP3 3534 58.571 2.807 5.444 1.00 0.00 WT2 H ATOM 30372 H2 TIP3 3534 59.691 2.423 6.387 1.00 0.00 WT2 H ATOM 30373 OH2 TIP3 3535 23.334 59.841 60.648 1.00 0.00 WT2 O ATOM 30374 H1 TIP3 3535 23.586 60.298 59.846 1.00 0.00 WT2 H ATOM 30375 H2 TIP3 3535 23.033 60.534 61.235 1.00 0.00 WT2 H ATOM 30376 OH2 TIP3 3536 55.265 74.776 44.120 1.00 0.00 WT2 O ATOM 30377 H1 TIP3 3536 54.838 73.930 43.983 1.00 0.00 WT2 H ATOM 30378 H2 TIP3 3536 54.927 75.332 43.419 1.00 0.00 WT2 H ATOM 30379 OH2 TIP3 3545 88.067 47.501 -2.773 1.00 0.00 WT2 O ATOM 30380 H1 TIP3 3545 87.338 46.889 -2.669 1.00 0.00 WT2 H ATOM 30381 H2 TIP3 3545 87.963 48.123 -2.053 1.00 0.00 WT2 H ATOM 30382 OH2 TIP3 3548 54.781 78.483 54.527 1.00 0.00 WT2 O ATOM 30383 H1 TIP3 3548 53.864 78.756 54.494 1.00 0.00 WT2 H ATOM 30384 H2 TIP3 3548 54.764 77.555 54.296 1.00 0.00 WT2 H ATOM 30385 OH2 TIP3 3549 78.321 80.566 4.646 1.00 0.00 WT2 O ATOM 30386 H1 TIP3 3549 78.837 81.069 5.276 1.00 0.00 WT2 H ATOM 30387 H2 TIP3 3549 77.932 81.226 4.072 1.00 0.00 WT2 H ATOM 30388 OH2 TIP3 3550 47.830 31.855 62.948 1.00 0.00 WT2 O ATOM 30389 H1 TIP3 3550 47.985 31.579 62.044 1.00 0.00 WT2 H ATOM 30390 H2 TIP3 3550 47.020 31.411 63.198 1.00 0.00 WT2 H ATOM 30391 OH2 TIP3 3551 39.514 93.771 55.725 1.00 0.00 WT2 O ATOM 30392 H1 TIP3 3551 38.783 94.032 55.166 1.00 0.00 WT2 H ATOM 30393 H2 TIP3 3551 39.436 92.820 55.795 1.00 0.00 WT2 H ATOM 30394 OH2 TIP3 3554 20.868 34.283 -1.488 1.00 0.00 WT2 O ATOM 30395 H1 TIP3 3554 21.403 34.632 -0.775 1.00 0.00 WT2 H ATOM 30396 H2 TIP3 3554 21.443 33.667 -1.940 1.00 0.00 WT2 H ATOM 30397 OH2 TIP3 3555 62.702 79.022 12.650 1.00 0.00 WT2 O ATOM 30398 H1 TIP3 3555 62.475 78.218 12.183 1.00 0.00 WT2 H ATOM 30399 H2 TIP3 3555 62.644 78.786 13.576 1.00 0.00 WT2 H ATOM 30400 OH2 TIP3 3559 61.763 89.114 12.112 1.00 0.00 WT2 O ATOM 30401 H1 TIP3 3559 61.237 88.314 12.116 1.00 0.00 WT2 H ATOM 30402 H2 TIP3 3559 61.134 89.815 12.281 1.00 0.00 WT2 H ATOM 30403 OH2 TIP3 3569 37.717 35.880 45.043 1.00 0.00 WT2 O ATOM 30404 H1 TIP3 3569 37.609 35.214 45.722 1.00 0.00 WT2 H ATOM 30405 H2 TIP3 3569 37.511 35.424 44.226 1.00 0.00 WT2 H ATOM 30406 OH2 TIP3 3570 32.585 67.823 33.450 1.00 0.00 WT2 O ATOM 30407 H1 TIP3 3570 32.471 67.113 34.083 1.00 0.00 WT2 H ATOM 30408 H2 TIP3 3570 33.242 68.395 33.847 1.00 0.00 WT2 H ATOM 30409 OH2 TIP3 3572 76.488 95.208 46.982 1.00 0.00 WT2 O ATOM 30410 H1 TIP3 3572 75.796 94.862 46.419 1.00 0.00 WT2 H ATOM 30411 H2 TIP3 3572 76.090 95.255 47.851 1.00 0.00 WT2 H ATOM 30412 OH2 TIP3 3573 25.466 46.445 47.175 1.00 0.00 WT2 O ATOM 30413 H1 TIP3 3573 26.011 45.937 46.575 1.00 0.00 WT2 H ATOM 30414 H2 TIP3 3573 25.770 47.346 47.071 1.00 0.00 WT2 H ATOM 30415 OH2 TIP3 3574 82.656 36.218 51.435 1.00 0.00 WT2 O ATOM 30416 H1 TIP3 3574 83.447 36.159 51.971 1.00 0.00 WT2 H ATOM 30417 H2 TIP3 3574 81.973 35.813 51.970 1.00 0.00 WT2 H ATOM 30418 OH2 TIP3 3575 30.210 20.392 62.392 1.00 0.00 WT2 O ATOM 30419 H1 TIP3 3575 30.498 20.094 63.255 1.00 0.00 WT2 H ATOM 30420 H2 TIP3 3575 30.383 19.650 61.812 1.00 0.00 WT2 H ATOM 30421 OH2 TIP3 3591 69.436 16.187 -11.081 1.00 0.00 WT2 O ATOM 30422 H1 TIP3 3591 69.475 15.240 -10.945 1.00 0.00 WT2 H ATOM 30423 H2 TIP3 3591 69.417 16.293 -12.032 1.00 0.00 WT2 H ATOM 30424 OH2 TIP3 3593 30.150 26.917 39.659 1.00 0.00 WT2 O ATOM 30425 H1 TIP3 3593 29.398 26.345 39.812 1.00 0.00 WT2 H ATOM 30426 H2 TIP3 3593 30.879 26.478 40.099 1.00 0.00 WT2 H ATOM 30427 OH2 TIP3 3594 32.347 55.550 15.999 1.00 0.00 WT2 O ATOM 30428 H1 TIP3 3594 32.854 55.658 15.194 1.00 0.00 WT2 H ATOM 30429 H2 TIP3 3594 32.167 56.444 16.290 1.00 0.00 WT2 H ATOM 30430 OH2 TIP3 3595 26.428 34.260 -12.057 1.00 0.00 WT2 O ATOM 30431 H1 TIP3 3595 26.427 34.889 -12.779 1.00 0.00 WT2 H ATOM 30432 H2 TIP3 3595 25.522 33.957 -12.002 1.00 0.00 WT2 H ATOM 30433 OH2 TIP3 3596 82.359 32.781 21.730 1.00 0.00 WT2 O ATOM 30434 H1 TIP3 3596 82.816 32.255 22.387 1.00 0.00 WT2 H ATOM 30435 H2 TIP3 3596 81.575 33.097 22.178 1.00 0.00 WT2 H ATOM 30436 OH2 TIP3 3597 54.322 4.568 43.902 1.00 0.00 WT2 O ATOM 30437 H1 TIP3 3597 54.742 5.401 44.118 1.00 0.00 WT2 H ATOM 30438 H2 TIP3 3597 55.012 4.052 43.486 1.00 0.00 WT2 H ATOM 30439 OH2 TIP3 3599 42.093 53.648 14.436 1.00 0.00 WT2 O ATOM 30440 H1 TIP3 3599 42.584 53.307 15.184 1.00 0.00 WT2 H ATOM 30441 H2 TIP3 3599 41.531 54.328 14.808 1.00 0.00 WT2 H ATOM 30442 OH2 TIP3 3612 74.623 19.134 62.290 1.00 0.00 WT2 O ATOM 30443 H1 TIP3 3612 75.283 19.590 62.812 1.00 0.00 WT2 H ATOM 30444 H2 TIP3 3612 74.245 18.491 62.890 1.00 0.00 WT2 H ATOM 30445 OH2 TIP3 3614 44.961 45.514 -17.496 1.00 0.00 WT2 O ATOM 30446 H1 TIP3 3614 45.515 45.692 -18.257 1.00 0.00 WT2 H ATOM 30447 H2 TIP3 3614 44.402 44.788 -17.771 1.00 0.00 WT2 H ATOM 30448 OH2 TIP3 3615 65.811 94.138 63.890 1.00 0.00 WT2 O ATOM 30449 H1 TIP3 3615 65.151 93.950 63.223 1.00 0.00 WT2 H ATOM 30450 H2 TIP3 3615 65.810 93.365 64.454 1.00 0.00 WT2 H ATOM 30451 OH2 TIP3 3619 48.313 93.089 39.960 1.00 0.00 WT2 O ATOM 30452 H1 TIP3 3619 47.571 93.068 39.356 1.00 0.00 WT2 H ATOM 30453 H2 TIP3 3619 48.529 92.169 40.107 1.00 0.00 WT2 H ATOM 30454 OH2 TIP3 3623 50.978 71.462 3.433 1.00 0.00 WT2 O ATOM 30455 H1 TIP3 3623 51.717 72.059 3.315 1.00 0.00 WT2 H ATOM 30456 H2 TIP3 3623 51.373 70.652 3.757 1.00 0.00 WT2 H ATOM 30457 OH2 TIP3 3633 62.156 27.414 55.867 1.00 0.00 WT2 O ATOM 30458 H1 TIP3 3633 62.251 26.476 56.029 1.00 0.00 WT2 H ATOM 30459 H2 TIP3 3633 62.747 27.593 55.136 1.00 0.00 WT2 H ATOM 30460 OH2 TIP3 3634 51.103 5.691 61.363 1.00 0.00 WT2 O ATOM 30461 H1 TIP3 3634 50.314 5.176 61.534 1.00 0.00 WT2 H ATOM 30462 H2 TIP3 3634 50.854 6.589 61.580 1.00 0.00 WT2 H ATOM 30463 OH2 TIP3 3636 62.064 39.464 25.258 1.00 0.00 WT2 O ATOM 30464 H1 TIP3 3636 61.955 39.453 24.307 1.00 0.00 WT2 H ATOM 30465 H2 TIP3 3636 61.646 40.279 25.538 1.00 0.00 WT2 H ATOM 30466 OH2 TIP3 3638 55.933 55.030 62.650 1.00 0.00 WT2 O ATOM 30467 H1 TIP3 3638 55.287 55.610 63.053 1.00 0.00 WT2 H ATOM 30468 H2 TIP3 3638 56.067 54.334 63.294 1.00 0.00 WT2 H ATOM 30469 OH2 TIP3 3639 48.578 18.793 39.443 1.00 0.00 WT2 O ATOM 30470 H1 TIP3 3639 47.793 19.341 39.446 1.00 0.00 WT2 H ATOM 30471 H2 TIP3 3639 48.585 18.388 38.576 1.00 0.00 WT2 H ATOM 30472 OH2 TIP3 3641 49.275 79.150 3.662 1.00 0.00 WT2 O ATOM 30473 H1 TIP3 3641 49.364 78.209 3.817 1.00 0.00 WT2 H ATOM 30474 H2 TIP3 3641 49.733 79.559 4.396 1.00 0.00 WT2 H ATOM 30475 OH2 TIP3 3650 78.226 1.885 41.941 1.00 0.00 WT2 O ATOM 30476 H1 TIP3 3650 77.927 1.932 41.033 1.00 0.00 WT2 H ATOM 30477 H2 TIP3 3650 78.375 2.797 42.191 1.00 0.00 WT2 H ATOM 30478 OH2 TIP3 3651 56.496 8.357 -13.172 1.00 0.00 WT2 O ATOM 30479 H1 TIP3 3651 57.353 8.698 -13.426 1.00 0.00 WT2 H ATOM 30480 H2 TIP3 3651 56.562 7.413 -13.314 1.00 0.00 WT2 H ATOM 30481 OH2 TIP3 3653 73.584 95.721 -17.032 1.00 0.00 WT2 O ATOM 30482 H1 TIP3 3653 73.887 96.239 -17.778 1.00 0.00 WT2 H ATOM 30483 H2 TIP3 3653 74.356 95.627 -16.475 1.00 0.00 WT2 H ATOM 30484 OH2 TIP3 3659 75.966 42.520 62.031 1.00 0.00 WT2 O ATOM 30485 H1 TIP3 3659 75.393 41.760 62.131 1.00 0.00 WT2 H ATOM 30486 H2 TIP3 3659 75.625 42.979 61.263 1.00 0.00 WT2 H ATOM 30487 OH2 TIP3 3660 24.469 85.955 -19.532 1.00 0.00 WT2 O ATOM 30488 H1 TIP3 3660 25.336 85.803 -19.156 1.00 0.00 WT2 H ATOM 30489 H2 TIP3 3660 23.873 85.462 -18.968 1.00 0.00 WT2 H ATOM 30490 OH2 TIP3 3661 71.468 31.794 -8.493 1.00 0.00 WT2 O ATOM 30491 H1 TIP3 3661 71.217 30.883 -8.647 1.00 0.00 WT2 H ATOM 30492 H2 TIP3 3661 72.042 31.758 -7.728 1.00 0.00 WT2 H ATOM 30493 OH2 TIP3 3662 72.795 77.841 24.954 1.00 0.00 WT2 O ATOM 30494 H1 TIP3 3662 71.918 77.678 24.606 1.00 0.00 WT2 H ATOM 30495 H2 TIP3 3662 73.006 77.051 25.452 1.00 0.00 WT2 H ATOM 30496 OH2 TIP3 3674 53.305 93.495 23.104 1.00 0.00 WT2 O ATOM 30497 H1 TIP3 3674 53.805 93.493 23.921 1.00 0.00 WT2 H ATOM 30498 H2 TIP3 3674 52.488 93.047 23.322 1.00 0.00 WT2 H ATOM 30499 OH2 TIP3 3675 75.181 35.028 54.739 1.00 0.00 WT2 O ATOM 30500 H1 TIP3 3675 75.602 34.176 54.629 1.00 0.00 WT2 H ATOM 30501 H2 TIP3 3675 74.421 34.851 55.295 1.00 0.00 WT2 H ATOM 30502 OH2 TIP3 3677 74.692 38.942 44.016 1.00 0.00 WT2 O ATOM 30503 H1 TIP3 3677 74.134 39.625 43.645 1.00 0.00 WT2 H ATOM 30504 H2 TIP3 3677 74.247 38.123 43.798 1.00 0.00 WT2 H ATOM 30505 OH2 TIP3 3681 72.273 33.649 -3.079 1.00 0.00 WT2 O ATOM 30506 H1 TIP3 3681 71.821 33.875 -2.266 1.00 0.00 WT2 H ATOM 30507 H2 TIP3 3681 71.944 34.279 -3.720 1.00 0.00 WT2 H ATOM 30508 OH2 TIP3 3693 56.068 9.643 18.240 1.00 0.00 WT2 O ATOM 30509 H1 TIP3 3693 56.591 9.821 17.459 1.00 0.00 WT2 H ATOM 30510 H2 TIP3 3693 56.665 9.804 18.971 1.00 0.00 WT2 H ATOM 30511 OH2 TIP3 3697 26.832 30.504 48.984 1.00 0.00 WT2 O ATOM 30512 H1 TIP3 3697 26.676 29.772 49.580 1.00 0.00 WT2 H ATOM 30513 H2 TIP3 3697 27.627 30.261 48.508 1.00 0.00 WT2 H ATOM 30514 OH2 TIP3 3698 70.007 56.721 17.419 1.00 0.00 WT2 O ATOM 30515 H1 TIP3 3698 69.227 57.277 17.403 1.00 0.00 WT2 H ATOM 30516 H2 TIP3 3698 69.734 55.913 16.983 1.00 0.00 WT2 H ATOM 30517 OH2 TIP3 3700 46.362 20.590 -4.419 1.00 0.00 WT2 O ATOM 30518 H1 TIP3 3700 46.197 19.847 -4.999 1.00 0.00 WT2 H ATOM 30519 H2 TIP3 3700 46.402 20.207 -3.543 1.00 0.00 WT2 H ATOM 30520 OH2 TIP3 3701 60.729 37.931 56.142 1.00 0.00 WT2 O ATOM 30521 H1 TIP3 3701 61.228 38.456 56.768 1.00 0.00 WT2 H ATOM 30522 H2 TIP3 3701 60.369 38.570 55.527 1.00 0.00 WT2 H ATOM 30523 OH2 TIP3 3702 46.890 44.427 45.415 1.00 0.00 WT2 O ATOM 30524 H1 TIP3 3702 47.124 44.910 44.623 1.00 0.00 WT2 H ATOM 30525 H2 TIP3 3702 47.191 44.984 46.133 1.00 0.00 WT2 H ATOM 30526 OH2 TIP3 3703 30.851 35.089 50.762 1.00 0.00 WT2 O ATOM 30527 H1 TIP3 3703 31.259 35.409 51.566 1.00 0.00 WT2 H ATOM 30528 H2 TIP3 3703 30.749 35.869 50.217 1.00 0.00 WT2 H ATOM 30529 OH2 TIP3 3705 37.026 91.598 58.971 1.00 0.00 WT2 O ATOM 30530 H1 TIP3 3705 37.682 91.119 58.465 1.00 0.00 WT2 H ATOM 30531 H2 TIP3 3705 37.525 92.266 59.441 1.00 0.00 WT2 H ATOM 30532 OH2 TIP3 3708 36.882 89.528 -9.271 1.00 0.00 WT2 O ATOM 30533 H1 TIP3 3708 36.211 90.201 -9.386 1.00 0.00 WT2 H ATOM 30534 H2 TIP3 3708 37.446 89.617 -10.040 1.00 0.00 WT2 H ATOM 30535 OH2 TIP3 3718 61.077 14.277 -7.213 1.00 0.00 WT2 O ATOM 30536 H1 TIP3 3718 60.904 13.484 -7.721 1.00 0.00 WT2 H ATOM 30537 H2 TIP3 3718 60.275 14.419 -6.711 1.00 0.00 WT2 H ATOM 30538 OH2 TIP3 3719 33.732 6.117 -19.102 1.00 0.00 WT2 O ATOM 30539 H1 TIP3 3719 32.944 6.616 -19.319 1.00 0.00 WT2 H ATOM 30540 H2 TIP3 3719 33.744 6.091 -18.146 1.00 0.00 WT2 H ATOM 30541 OH2 TIP3 3720 76.896 50.667 -8.625 1.00 0.00 WT2 O ATOM 30542 H1 TIP3 3720 76.970 50.530 -7.681 1.00 0.00 WT2 H ATOM 30543 H2 TIP3 3720 75.981 50.471 -8.825 1.00 0.00 WT2 H ATOM 30544 OH2 TIP3 3721 54.146 14.588 61.133 1.00 0.00 WT2 O ATOM 30545 H1 TIP3 3721 53.193 14.551 61.049 1.00 0.00 WT2 H ATOM 30546 H2 TIP3 3721 54.474 14.183 60.330 1.00 0.00 WT2 H ATOM 30547 OH2 TIP3 3722 32.621 73.703 66.179 1.00 0.00 WT2 O ATOM 30548 H1 TIP3 3722 33.280 74.017 65.559 1.00 0.00 WT2 H ATOM 30549 H2 TIP3 3722 33.085 73.065 66.720 1.00 0.00 WT2 H ATOM 30550 OH2 TIP3 3723 58.472 78.874 -17.756 1.00 0.00 WT2 O ATOM 30551 H1 TIP3 3723 57.758 78.252 -17.622 1.00 0.00 WT2 H ATOM 30552 H2 TIP3 3723 59.261 78.332 -17.778 1.00 0.00 WT2 H ATOM 30553 OH2 TIP3 3727 28.173 68.919 -9.394 1.00 0.00 WT2 O ATOM 30554 H1 TIP3 3727 28.000 67.998 -9.588 1.00 0.00 WT2 H ATOM 30555 H2 TIP3 3727 27.563 69.134 -8.688 1.00 0.00 WT2 H ATOM 30556 OH2 TIP3 3737 87.598 9.459 -7.523 1.00 0.00 WT2 O ATOM 30557 H1 TIP3 3737 87.909 8.567 -7.680 1.00 0.00 WT2 H ATOM 30558 H2 TIP3 3737 88.395 9.984 -7.461 1.00 0.00 WT2 H ATOM 30559 OH2 TIP3 3740 35.620 43.200 33.722 1.00 0.00 WT2 O ATOM 30560 H1 TIP3 3740 35.941 42.973 32.849 1.00 0.00 WT2 H ATOM 30561 H2 TIP3 3740 35.911 42.480 34.280 1.00 0.00 WT2 H ATOM 30562 OH2 TIP3 3743 87.719 39.999 28.909 1.00 0.00 WT2 O ATOM 30563 H1 TIP3 3743 87.293 39.275 28.451 1.00 0.00 WT2 H ATOM 30564 H2 TIP3 3743 87.156 40.755 28.738 1.00 0.00 WT2 H ATOM 30565 OH2 TIP3 3757 23.270 14.424 48.755 1.00 0.00 WT2 O ATOM 30566 H1 TIP3 3757 22.893 14.860 47.991 1.00 0.00 WT2 H ATOM 30567 H2 TIP3 3757 24.213 14.558 48.667 1.00 0.00 WT2 H ATOM 30568 OH2 TIP3 3758 86.821 16.283 42.279 1.00 0.00 WT2 O ATOM 30569 H1 TIP3 3758 86.385 16.570 43.082 1.00 0.00 WT2 H ATOM 30570 H2 TIP3 3758 87.346 15.529 42.547 1.00 0.00 WT2 H ATOM 30571 OH2 TIP3 3761 75.338 38.544 -8.693 1.00 0.00 WT2 O ATOM 30572 H1 TIP3 3761 74.636 38.885 -9.248 1.00 0.00 WT2 H ATOM 30573 H2 TIP3 3761 74.922 38.394 -7.844 1.00 0.00 WT2 H ATOM 30574 OH2 TIP3 3762 89.665 55.592 59.419 1.00 0.00 WT2 O ATOM 30575 H1 TIP3 3762 89.510 56.504 59.174 1.00 0.00 WT2 H ATOM 30576 H2 TIP3 3762 89.163 55.471 60.225 1.00 0.00 WT2 H ATOM 30577 OH2 TIP3 3763 37.950 38.005 30.084 1.00 0.00 WT2 O ATOM 30578 H1 TIP3 3763 38.829 37.773 29.785 1.00 0.00 WT2 H ATOM 30579 H2 TIP3 3763 38.024 38.045 31.038 1.00 0.00 WT2 H ATOM 30580 OH2 TIP3 3764 47.547 44.486 65.341 1.00 0.00 WT2 O ATOM 30581 H1 TIP3 3764 47.359 44.819 66.218 1.00 0.00 WT2 H ATOM 30582 H2 TIP3 3764 48.478 44.264 65.363 1.00 0.00 WT2 H ATOM 30583 OH2 TIP3 3765 69.459 51.240 -11.747 1.00 0.00 WT2 O ATOM 30584 H1 TIP3 3765 68.627 50.773 -11.673 1.00 0.00 WT2 H ATOM 30585 H2 TIP3 3765 69.441 51.877 -11.033 1.00 0.00 WT2 H ATOM 30586 OH2 TIP3 3770 51.072 26.748 -19.744 1.00 0.00 WT2 O ATOM 30587 H1 TIP3 3770 50.476 27.440 -19.459 1.00 0.00 WT2 H ATOM 30588 H2 TIP3 3770 51.886 27.206 -19.958 1.00 0.00 WT2 H ATOM 30589 OH2 TIP3 3776 61.478 56.718 37.201 1.00 0.00 WT2 O ATOM 30590 H1 TIP3 3776 60.817 56.190 36.753 1.00 0.00 WT2 H ATOM 30591 H2 TIP3 3776 62.218 56.741 36.593 1.00 0.00 WT2 H ATOM 30592 OH2 TIP3 3779 31.703 37.032 64.195 1.00 0.00 WT2 O ATOM 30593 H1 TIP3 3779 31.199 36.972 63.384 1.00 0.00 WT2 H ATOM 30594 H2 TIP3 3779 32.616 37.071 63.909 1.00 0.00 WT2 H ATOM 30595 OH2 TIP3 3783 39.458 17.572 22.389 1.00 0.00 WT2 O ATOM 30596 H1 TIP3 3783 40.237 17.410 21.858 1.00 0.00 WT2 H ATOM 30597 H2 TIP3 3783 39.567 17.005 23.153 1.00 0.00 WT2 H ATOM 30598 OH2 TIP3 3784 21.553 52.775 13.968 1.00 0.00 WT2 O ATOM 30599 H1 TIP3 3784 22.451 52.538 14.200 1.00 0.00 WT2 H ATOM 30600 H2 TIP3 3784 21.642 53.322 13.188 1.00 0.00 WT2 H ATOM 30601 OH2 TIP3 3785 85.719 6.931 52.481 1.00 0.00 WT2 O ATOM 30602 H1 TIP3 3785 85.633 7.884 52.461 1.00 0.00 WT2 H ATOM 30603 H2 TIP3 3785 85.200 6.628 51.735 1.00 0.00 WT2 H ATOM 30604 OH2 TIP3 3786 50.361 85.949 -16.752 1.00 0.00 WT2 O ATOM 30605 H1 TIP3 3786 49.969 86.055 -15.885 1.00 0.00 WT2 H ATOM 30606 H2 TIP3 3786 51.292 85.809 -16.579 1.00 0.00 WT2 H ATOM 30607 OH2 TIP3 3798 37.400 36.953 40.612 1.00 0.00 WT2 O ATOM 30608 H1 TIP3 3798 37.108 36.046 40.708 1.00 0.00 WT2 H ATOM 30609 H2 TIP3 3798 36.735 37.361 40.058 1.00 0.00 WT2 H ATOM 30610 OH2 TIP3 3800 42.618 53.066 -3.143 1.00 0.00 WT2 O ATOM 30611 H1 TIP3 3800 41.730 53.263 -3.441 1.00 0.00 WT2 H ATOM 30612 H2 TIP3 3800 42.760 53.658 -2.405 1.00 0.00 WT2 H ATOM 30613 OH2 TIP3 3801 42.921 35.242 47.889 1.00 0.00 WT2 O ATOM 30614 H1 TIP3 3801 43.434 35.292 47.082 1.00 0.00 WT2 H ATOM 30615 H2 TIP3 3801 42.474 36.087 47.941 1.00 0.00 WT2 H ATOM 30616 OH2 TIP3 3802 33.213 29.431 56.169 1.00 0.00 WT2 O ATOM 30617 H1 TIP3 3802 32.512 29.488 55.520 1.00 0.00 WT2 H ATOM 30618 H2 TIP3 3802 34.020 29.465 55.655 1.00 0.00 WT2 H ATOM 30619 OH2 TIP3 3804 53.924 20.608 -11.082 1.00 0.00 WT2 O ATOM 30620 H1 TIP3 3804 54.621 21.010 -10.563 1.00 0.00 WT2 H ATOM 30621 H2 TIP3 3804 53.144 21.124 -10.877 1.00 0.00 WT2 H ATOM 30622 OH2 TIP3 3805 50.286 89.994 61.699 1.00 0.00 WT2 O ATOM 30623 H1 TIP3 3805 50.836 90.531 62.269 1.00 0.00 WT2 H ATOM 30624 H2 TIP3 3805 50.556 90.232 60.812 1.00 0.00 WT2 H ATOM 30625 OH2 TIP3 3806 33.120 87.430 44.401 1.00 0.00 WT2 O ATOM 30626 H1 TIP3 3806 32.933 87.218 45.316 1.00 0.00 WT2 H ATOM 30627 H2 TIP3 3806 32.778 86.684 43.908 1.00 0.00 WT2 H ATOM 30628 OH2 TIP3 3807 81.859 92.139 0.401 1.00 0.00 WT2 O ATOM 30629 H1 TIP3 3807 82.115 91.912 -0.493 1.00 0.00 WT2 H ATOM 30630 H2 TIP3 3807 81.687 93.080 0.370 1.00 0.00 WT2 H ATOM 30631 OH2 TIP3 3808 78.029 60.274 -12.763 1.00 0.00 WT2 O ATOM 30632 H1 TIP3 3808 78.865 60.721 -12.900 1.00 0.00 WT2 H ATOM 30633 H2 TIP3 3808 77.648 60.709 -12.001 1.00 0.00 WT2 H ATOM 30634 OH2 TIP3 3809 74.810 72.086 45.012 1.00 0.00 WT2 O ATOM 30635 H1 TIP3 3809 75.492 72.737 45.176 1.00 0.00 WT2 H ATOM 30636 H2 TIP3 3809 75.009 71.745 44.140 1.00 0.00 WT2 H ATOM 30637 OH2 TIP3 3821 40.395 50.851 30.955 1.00 0.00 WT2 O ATOM 30638 H1 TIP3 3821 40.606 51.758 30.735 1.00 0.00 WT2 H ATOM 30639 H2 TIP3 3821 40.272 50.420 30.109 1.00 0.00 WT2 H ATOM 30640 OH2 TIP3 3823 26.006 44.858 32.881 1.00 0.00 WT2 O ATOM 30641 H1 TIP3 3823 26.185 45.768 33.118 1.00 0.00 WT2 H ATOM 30642 H2 TIP3 3823 26.000 44.856 31.924 1.00 0.00 WT2 H ATOM 30643 OH2 TIP3 3826 63.868 26.575 -18.709 1.00 0.00 WT2 O ATOM 30644 H1 TIP3 3826 64.127 26.359 -19.605 1.00 0.00 WT2 H ATOM 30645 H2 TIP3 3826 64.572 27.136 -18.385 1.00 0.00 WT2 H ATOM 30646 OH2 TIP3 3827 72.415 17.535 42.472 1.00 0.00 WT2 O ATOM 30647 H1 TIP3 3827 72.131 18.337 42.034 1.00 0.00 WT2 H ATOM 30648 H2 TIP3 3827 71.791 16.870 42.184 1.00 0.00 WT2 H ATOM 30649 OH2 TIP3 3828 24.500 19.931 40.346 1.00 0.00 WT2 O ATOM 30650 H1 TIP3 3828 23.713 20.470 40.272 1.00 0.00 WT2 H ATOM 30651 H2 TIP3 3828 24.187 19.033 40.239 1.00 0.00 WT2 H ATOM 30652 OH2 TIP3 3829 80.258 27.140 43.138 1.00 0.00 WT2 O ATOM 30653 H1 TIP3 3829 79.487 27.612 42.824 1.00 0.00 WT2 H ATOM 30654 H2 TIP3 3829 79.943 26.252 43.309 1.00 0.00 WT2 H ATOM 30655 OH2 TIP3 3845 31.203 31.588 19.811 1.00 0.00 WT2 O ATOM 30656 H1 TIP3 3845 30.925 31.419 20.712 1.00 0.00 WT2 H ATOM 30657 H2 TIP3 3845 31.385 30.721 19.449 1.00 0.00 WT2 H ATOM 30658 OH2 TIP3 3846 50.251 1.573 7.274 1.00 0.00 WT2 O ATOM 30659 H1 TIP3 3846 50.860 1.058 7.804 1.00 0.00 WT2 H ATOM 30660 H2 TIP3 3846 50.252 1.140 6.420 1.00 0.00 WT2 H ATOM 30661 OH2 TIP3 3847 27.088 40.815 -16.452 1.00 0.00 WT2 O ATOM 30662 H1 TIP3 3847 26.953 40.510 -17.349 1.00 0.00 WT2 H ATOM 30663 H2 TIP3 3847 26.656 41.669 -16.422 1.00 0.00 WT2 H ATOM 30664 OH2 TIP3 3848 78.974 66.868 -10.525 1.00 0.00 WT2 O ATOM 30665 H1 TIP3 3848 78.178 66.339 -10.468 1.00 0.00 WT2 H ATOM 30666 H2 TIP3 3848 78.660 67.772 -10.551 1.00 0.00 WT2 H ATOM 30667 OH2 TIP3 3849 33.013 40.412 14.002 1.00 0.00 WT2 O ATOM 30668 H1 TIP3 3849 33.827 40.058 14.360 1.00 0.00 WT2 H ATOM 30669 H2 TIP3 3849 33.272 41.234 13.585 1.00 0.00 WT2 H ATOM 30670 OH2 TIP3 3853 40.260 58.766 11.431 1.00 0.00 WT2 O ATOM 30671 H1 TIP3 3853 40.476 58.111 10.768 1.00 0.00 WT2 H ATOM 30672 H2 TIP3 3853 41.094 58.961 11.857 1.00 0.00 WT2 H ATOM 30673 OH2 TIP3 3863 38.569 53.180 -10.192 1.00 0.00 WT2 O ATOM 30674 H1 TIP3 3863 38.134 52.612 -10.829 1.00 0.00 WT2 H ATOM 30675 H2 TIP3 3863 37.860 53.691 -9.803 1.00 0.00 WT2 H ATOM 30676 OH2 TIP3 3867 34.199 12.662 -4.795 1.00 0.00 WT2 O ATOM 30677 H1 TIP3 3867 33.765 13.254 -5.410 1.00 0.00 WT2 H ATOM 30678 H2 TIP3 3867 33.534 12.007 -4.584 1.00 0.00 WT2 H ATOM 30679 OH2 TIP3 3868 37.373 17.190 41.547 1.00 0.00 WT2 O ATOM 30680 H1 TIP3 3868 36.640 16.898 42.089 1.00 0.00 WT2 H ATOM 30681 H2 TIP3 3868 37.450 18.126 41.731 1.00 0.00 WT2 H ATOM 30682 OH2 TIP3 3869 62.308 54.985 39.228 1.00 0.00 WT2 O ATOM 30683 H1 TIP3 3869 62.011 55.678 38.638 1.00 0.00 WT2 H ATOM 30684 H2 TIP3 3869 61.834 55.147 40.044 1.00 0.00 WT2 H ATOM 30685 OH2 TIP3 3873 28.546 93.207 21.385 1.00 0.00 WT2 O ATOM 30686 H1 TIP3 3873 29.200 93.855 21.646 1.00 0.00 WT2 H ATOM 30687 H2 TIP3 3873 29.056 92.495 20.997 1.00 0.00 WT2 H ATOM 30688 OH2 TIP3 3875 49.229 77.277 -11.251 1.00 0.00 WT2 O ATOM 30689 H1 TIP3 3875 48.988 77.411 -10.335 1.00 0.00 WT2 H ATOM 30690 H2 TIP3 3875 49.322 76.328 -11.338 1.00 0.00 WT2 H ATOM 30691 OH2 TIP3 3882 32.856 94.293 62.001 1.00 0.00 WT2 O ATOM 30692 H1 TIP3 3882 33.353 94.482 61.205 1.00 0.00 WT2 H ATOM 30693 H2 TIP3 3882 33.433 94.563 62.715 1.00 0.00 WT2 H ATOM 30694 OH2 TIP3 3886 22.311 73.623 47.135 1.00 0.00 WT2 O ATOM 30695 H1 TIP3 3886 23.223 73.893 47.239 1.00 0.00 WT2 H ATOM 30696 H2 TIP3 3886 22.259 73.296 46.237 1.00 0.00 WT2 H ATOM 30697 OH2 TIP3 3888 70.682 68.179 6.436 1.00 0.00 WT2 O ATOM 30698 H1 TIP3 3888 71.207 67.985 7.212 1.00 0.00 WT2 H ATOM 30699 H2 TIP3 3888 69.844 67.746 6.598 1.00 0.00 WT2 H ATOM 30700 OH2 TIP3 3889 57.452 61.195 -19.349 1.00 0.00 WT2 O ATOM 30701 H1 TIP3 3889 57.063 60.619 -20.007 1.00 0.00 WT2 H ATOM 30702 H2 TIP3 3889 58.308 60.807 -19.167 1.00 0.00 WT2 H ATOM 30703 OH2 TIP3 3891 40.232 71.661 51.993 1.00 0.00 WT2 O ATOM 30704 H1 TIP3 3891 41.136 71.930 51.833 1.00 0.00 WT2 H ATOM 30705 H2 TIP3 3891 40.255 70.705 51.950 1.00 0.00 WT2 H ATOM 30706 OH2 TIP3 3892 90.259 28.713 51.834 1.00 0.00 WT2 O ATOM 30707 H1 TIP3 3892 89.772 28.444 52.614 1.00 0.00 WT2 H ATOM 30708 H2 TIP3 3892 89.927 28.147 51.137 1.00 0.00 WT2 H ATOM 30709 OH2 TIP3 3907 83.356 68.570 54.275 1.00 0.00 WT2 O ATOM 30710 H1 TIP3 3907 83.847 69.324 53.950 1.00 0.00 WT2 H ATOM 30711 H2 TIP3 3907 84.015 68.016 54.692 1.00 0.00 WT2 H ATOM 30712 OH2 TIP3 3909 76.336 95.318 -5.786 1.00 0.00 WT2 O ATOM 30713 H1 TIP3 3909 77.097 95.010 -5.294 1.00 0.00 WT2 H ATOM 30714 H2 TIP3 3909 76.413 96.272 -5.775 1.00 0.00 WT2 H ATOM 30715 OH2 TIP3 3911 82.134 58.504 51.896 1.00 0.00 WT2 O ATOM 30716 H1 TIP3 3911 82.444 57.598 51.888 1.00 0.00 WT2 H ATOM 30717 H2 TIP3 3911 82.650 58.940 51.218 1.00 0.00 WT2 H ATOM 30718 OH2 TIP3 3912 79.966 40.365 -2.555 1.00 0.00 WT2 O ATOM 30719 H1 TIP3 3912 80.022 40.273 -3.506 1.00 0.00 WT2 H ATOM 30720 H2 TIP3 3912 79.399 41.125 -2.421 1.00 0.00 WT2 H ATOM 30721 OH2 TIP3 3925 48.122 46.483 0.526 1.00 0.00 WT2 O ATOM 30722 H1 TIP3 3925 48.884 46.722 1.053 1.00 0.00 WT2 H ATOM 30723 H2 TIP3 3925 48.334 45.618 0.175 1.00 0.00 WT2 H ATOM 30724 OH2 TIP3 3928 74.907 35.500 20.473 1.00 0.00 WT2 O ATOM 30725 H1 TIP3 3928 74.570 34.741 19.996 1.00 0.00 WT2 H ATOM 30726 H2 TIP3 3928 74.735 36.243 19.893 1.00 0.00 WT2 H ATOM 30727 OH2 TIP3 3929 47.749 32.986 37.242 1.00 0.00 WT2 O ATOM 30728 H1 TIP3 3929 47.987 33.048 38.167 1.00 0.00 WT2 H ATOM 30729 H2 TIP3 3929 47.938 33.854 36.887 1.00 0.00 WT2 H ATOM 30730 OH2 TIP3 3930 52.051 14.634 22.462 1.00 0.00 WT2 O ATOM 30731 H1 TIP3 3930 51.616 14.644 21.610 1.00 0.00 WT2 H ATOM 30732 H2 TIP3 3930 51.501 15.184 23.020 1.00 0.00 WT2 H ATOM 30733 OH2 TIP3 3931 21.648 25.264 60.042 1.00 0.00 WT2 O ATOM 30734 H1 TIP3 3931 21.552 25.190 60.992 1.00 0.00 WT2 H ATOM 30735 H2 TIP3 3931 22.512 25.657 59.919 1.00 0.00 WT2 H ATOM 30736 OH2 TIP3 3932 58.405 50.030 63.364 1.00 0.00 WT2 O ATOM 30737 H1 TIP3 3932 58.510 49.793 62.443 1.00 0.00 WT2 H ATOM 30738 H2 TIP3 3932 57.463 50.166 63.470 1.00 0.00 WT2 H ATOM 30739 OH2 TIP3 3933 74.093 10.788 -16.957 1.00 0.00 WT2 O ATOM 30740 H1 TIP3 3933 73.441 10.426 -16.357 1.00 0.00 WT2 H ATOM 30741 H2 TIP3 3933 74.279 11.661 -16.610 1.00 0.00 WT2 H ATOM 30742 OH2 TIP3 3934 69.937 73.845 58.751 1.00 0.00 WT2 O ATOM 30743 H1 TIP3 3934 70.385 74.613 58.395 1.00 0.00 WT2 H ATOM 30744 H2 TIP3 3934 69.024 74.119 58.838 1.00 0.00 WT2 H ATOM 30745 OH2 TIP3 3949 33.102 52.659 63.147 1.00 0.00 WT2 O ATOM 30746 H1 TIP3 3949 32.683 51.879 63.512 1.00 0.00 WT2 H ATOM 30747 H2 TIP3 3949 33.288 53.210 63.907 1.00 0.00 WT2 H ATOM 30748 OH2 TIP3 3951 84.851 67.102 0.264 1.00 0.00 WT2 O ATOM 30749 H1 TIP3 3951 84.292 67.180 -0.509 1.00 0.00 WT2 H ATOM 30750 H2 TIP3 3951 84.449 67.682 0.910 1.00 0.00 WT2 H ATOM 30751 OH2 TIP3 3955 52.616 58.456 14.641 1.00 0.00 WT2 O ATOM 30752 H1 TIP3 3955 52.905 57.918 15.379 1.00 0.00 WT2 H ATOM 30753 H2 TIP3 3955 52.102 59.156 15.041 1.00 0.00 WT2 H ATOM 30754 OH2 TIP3 3956 59.543 93.258 -3.893 1.00 0.00 WT2 O ATOM 30755 H1 TIP3 3956 58.690 93.397 -4.303 1.00 0.00 WT2 H ATOM 30756 H2 TIP3 3956 59.881 94.139 -3.736 1.00 0.00 WT2 H ATOM 30757 OH2 TIP3 3971 43.811 51.090 -13.811 1.00 0.00 WT2 O ATOM 30758 H1 TIP3 3971 43.090 51.693 -13.632 1.00 0.00 WT2 H ATOM 30759 H2 TIP3 3971 44.566 51.657 -13.962 1.00 0.00 WT2 H ATOM 30760 OH2 TIP3 3972 35.841 12.785 60.702 1.00 0.00 WT2 O ATOM 30761 H1 TIP3 3972 36.078 12.205 61.425 1.00 0.00 WT2 H ATOM 30762 H2 TIP3 3972 34.948 12.529 60.471 1.00 0.00 WT2 H ATOM 30763 OH2 TIP3 3973 71.373 96.069 -10.767 1.00 0.00 WT2 O ATOM 30764 H1 TIP3 3973 70.478 96.270 -11.039 1.00 0.00 WT2 H ATOM 30765 H2 TIP3 3973 71.310 95.209 -10.350 1.00 0.00 WT2 H ATOM 30766 OH2 TIP3 3974 70.920 3.434 -0.832 1.00 0.00 WT2 O ATOM 30767 H1 TIP3 3974 70.719 3.212 -1.741 1.00 0.00 WT2 H ATOM 30768 H2 TIP3 3974 71.295 4.313 -0.877 1.00 0.00 WT2 H ATOM 30769 OH2 TIP3 3975 32.933 39.041 27.028 1.00 0.00 WT2 O ATOM 30770 H1 TIP3 3975 33.670 39.009 26.418 1.00 0.00 WT2 H ATOM 30771 H2 TIP3 3975 32.868 38.151 27.373 1.00 0.00 WT2 H ATOM 30772 OH2 TIP3 3976 60.203 5.306 37.432 1.00 0.00 WT2 O ATOM 30773 H1 TIP3 3976 61.009 5.433 36.932 1.00 0.00 WT2 H ATOM 30774 H2 TIP3 3976 60.441 5.525 38.333 1.00 0.00 WT2 H ATOM 30775 OH2 TIP3 3977 83.985 4.265 -18.983 1.00 0.00 WT2 O ATOM 30776 H1 TIP3 3977 84.758 4.691 -18.612 1.00 0.00 WT2 H ATOM 30777 H2 TIP3 3977 83.287 4.443 -18.353 1.00 0.00 WT2 H ATOM 30778 OH2 TIP3 3978 42.573 81.863 23.172 1.00 0.00 WT2 O ATOM 30779 H1 TIP3 3978 42.512 81.461 24.039 1.00 0.00 WT2 H ATOM 30780 H2 TIP3 3978 41.858 81.466 22.673 1.00 0.00 WT2 H ATOM 30781 OH2 TIP3 3986 72.179 2.238 44.495 1.00 0.00 WT2 O ATOM 30782 H1 TIP3 3986 71.999 3.158 44.302 1.00 0.00 WT2 H ATOM 30783 H2 TIP3 3986 71.420 1.944 44.998 1.00 0.00 WT2 H ATOM 30784 OH2 TIP3 3991 77.883 76.869 10.840 1.00 0.00 WT2 O ATOM 30785 H1 TIP3 3991 78.423 77.622 11.079 1.00 0.00 WT2 H ATOM 30786 H2 TIP3 3991 76.987 77.207 10.837 1.00 0.00 WT2 H ATOM 30787 OH2 TIP3 3992 35.587 71.290 51.307 1.00 0.00 WT2 O ATOM 30788 H1 TIP3 3992 36.386 70.836 51.572 1.00 0.00 WT2 H ATOM 30789 H2 TIP3 3992 34.941 70.593 51.191 1.00 0.00 WT2 H ATOM 30790 OH2 TIP3 3993 42.869 15.000 64.285 1.00 0.00 WT2 O ATOM 30791 H1 TIP3 3993 42.465 15.849 64.469 1.00 0.00 WT2 H ATOM 30792 H2 TIP3 3993 42.265 14.575 63.677 1.00 0.00 WT2 H ATOM 30793 OH2 TIP3 3994 88.102 14.571 -13.127 1.00 0.00 WT2 O ATOM 30794 H1 TIP3 3994 88.905 14.500 -12.611 1.00 0.00 WT2 H ATOM 30795 H2 TIP3 3994 87.466 14.962 -12.528 1.00 0.00 WT2 H ATOM 30796 OH2 TIP3 3995 24.621 18.427 35.602 1.00 0.00 WT2 O ATOM 30797 H1 TIP3 3995 24.029 19.047 36.027 1.00 0.00 WT2 H ATOM 30798 H2 TIP3 3995 24.726 17.720 36.240 1.00 0.00 WT2 H ATOM 30799 OH2 TIP3 3996 38.373 78.108 16.048 1.00 0.00 WT2 O ATOM 30800 H1 TIP3 3996 37.827 77.348 15.850 1.00 0.00 WT2 H ATOM 30801 H2 TIP3 3996 38.061 78.413 16.900 1.00 0.00 WT2 H ATOM 30802 OH2 TIP3 4009 31.928 14.646 33.106 1.00 0.00 WT2 O ATOM 30803 H1 TIP3 4009 31.803 14.794 34.043 1.00 0.00 WT2 H ATOM 30804 H2 TIP3 4009 32.211 15.494 32.764 1.00 0.00 WT2 H ATOM 30805 OH2 TIP3 4010 35.214 36.057 -0.093 1.00 0.00 WT2 O ATOM 30806 H1 TIP3 4010 35.627 35.813 0.736 1.00 0.00 WT2 H ATOM 30807 H2 TIP3 4010 35.932 36.068 -0.725 1.00 0.00 WT2 H ATOM 30808 OH2 TIP3 4011 41.981 65.494 37.018 1.00 0.00 WT2 O ATOM 30809 H1 TIP3 4011 42.695 66.116 36.882 1.00 0.00 WT2 H ATOM 30810 H2 TIP3 4011 42.416 64.682 37.278 1.00 0.00 WT2 H ATOM 30811 OH2 TIP3 4012 27.593 49.056 2.362 1.00 0.00 WT2 O ATOM 30812 H1 TIP3 4012 28.310 49.088 2.995 1.00 0.00 WT2 H ATOM 30813 H2 TIP3 4012 27.778 49.773 1.755 1.00 0.00 WT2 H ATOM 30814 OH2 TIP3 4014 53.645 8.869 -11.027 1.00 0.00 WT2 O ATOM 30815 H1 TIP3 4014 53.526 9.719 -11.451 1.00 0.00 WT2 H ATOM 30816 H2 TIP3 4014 53.889 8.278 -11.739 1.00 0.00 WT2 H ATOM 30817 OH2 TIP3 4015 75.365 80.156 5.125 1.00 0.00 WT2 O ATOM 30818 H1 TIP3 4015 76.162 79.792 5.511 1.00 0.00 WT2 H ATOM 30819 H2 TIP3 4015 75.505 81.103 5.133 1.00 0.00 WT2 H ATOM 30820 OH2 TIP3 4016 27.379 10.499 6.871 1.00 0.00 WT2 O ATOM 30821 H1 TIP3 4016 28.212 10.860 6.566 1.00 0.00 WT2 H ATOM 30822 H2 TIP3 4016 27.538 10.271 7.787 1.00 0.00 WT2 H ATOM 30823 OH2 TIP3 4017 37.741 50.369 62.149 1.00 0.00 WT2 O ATOM 30824 H1 TIP3 4017 37.566 50.163 61.231 1.00 0.00 WT2 H ATOM 30825 H2 TIP3 4017 38.687 50.513 62.186 1.00 0.00 WT2 H ATOM 30826 OH2 TIP3 4021 81.421 90.120 66.996 1.00 0.00 WT2 O ATOM 30827 H1 TIP3 4021 80.682 90.681 67.228 1.00 0.00 WT2 H ATOM 30828 H2 TIP3 4021 82.178 90.535 67.411 1.00 0.00 WT2 H ATOM 30829 OH2 TIP3 4022 21.847 91.285 -15.935 1.00 0.00 WT2 O ATOM 30830 H1 TIP3 4022 20.978 91.672 -15.835 1.00 0.00 WT2 H ATOM 30831 H2 TIP3 4022 21.977 90.777 -15.135 1.00 0.00 WT2 H ATOM 30832 OH2 TIP3 4030 88.658 89.974 51.636 1.00 0.00 WT2 O ATOM 30833 H1 TIP3 4030 87.804 89.592 51.840 1.00 0.00 WT2 H ATOM 30834 H2 TIP3 4030 88.614 90.862 51.991 1.00 0.00 WT2 H ATOM 30835 OH2 TIP3 4033 60.087 7.313 59.564 1.00 0.00 WT2 O ATOM 30836 H1 TIP3 4033 59.377 7.181 60.192 1.00 0.00 WT2 H ATOM 30837 H2 TIP3 4033 59.689 7.140 58.711 1.00 0.00 WT2 H ATOM 30838 OH2 TIP3 4035 34.520 92.195 17.848 1.00 0.00 WT2 O ATOM 30839 H1 TIP3 4035 34.970 91.514 18.349 1.00 0.00 WT2 H ATOM 30840 H2 TIP3 4035 34.921 92.158 16.980 1.00 0.00 WT2 H ATOM 30841 OH2 TIP3 4036 88.990 82.575 -6.016 1.00 0.00 WT2 O ATOM 30842 H1 TIP3 4036 89.894 82.609 -5.704 1.00 0.00 WT2 H ATOM 30843 H2 TIP3 4036 88.998 81.911 -6.705 1.00 0.00 WT2 H ATOM 30844 OH2 TIP3 4037 29.919 74.016 66.207 1.00 0.00 WT2 O ATOM 30845 H1 TIP3 4037 29.730 74.019 67.146 1.00 0.00 WT2 H ATOM 30846 H2 TIP3 4037 30.841 73.766 66.149 1.00 0.00 WT2 H ATOM 30847 OH2 TIP3 4040 41.263 29.147 63.948 1.00 0.00 WT2 O ATOM 30848 H1 TIP3 4040 42.054 29.673 63.823 1.00 0.00 WT2 H ATOM 30849 H2 TIP3 4040 41.386 28.729 64.800 1.00 0.00 WT2 H ATOM 30850 OH2 TIP3 4053 62.395 1.456 48.954 1.00 0.00 WT2 O ATOM 30851 H1 TIP3 4053 62.996 1.953 49.509 1.00 0.00 WT2 H ATOM 30852 H2 TIP3 4053 62.881 0.664 48.723 1.00 0.00 WT2 H ATOM 30853 OH2 TIP3 4054 71.574 84.809 -9.435 1.00 0.00 WT2 O ATOM 30854 H1 TIP3 4054 72.104 85.179 -10.141 1.00 0.00 WT2 H ATOM 30855 H2 TIP3 4054 71.957 85.167 -8.634 1.00 0.00 WT2 H ATOM 30856 OH2 TIP3 4055 40.906 55.403 6.265 1.00 0.00 WT2 O ATOM 30857 H1 TIP3 4055 41.000 55.785 7.137 1.00 0.00 WT2 H ATOM 30858 H2 TIP3 4055 41.576 54.720 6.229 1.00 0.00 WT2 H ATOM 30859 OH2 TIP3 4056 21.683 89.848 28.708 1.00 0.00 WT2 O ATOM 30860 H1 TIP3 4056 21.491 90.645 29.203 1.00 0.00 WT2 H ATOM 30861 H2 TIP3 4056 20.828 89.534 28.417 1.00 0.00 WT2 H ATOM 30862 OH2 TIP3 4057 80.964 43.838 52.161 1.00 0.00 WT2 O ATOM 30863 H1 TIP3 4057 81.380 44.631 51.822 1.00 0.00 WT2 H ATOM 30864 H2 TIP3 4057 81.447 43.120 51.750 1.00 0.00 WT2 H ATOM 30865 OH2 TIP3 4058 43.384 91.064 40.023 1.00 0.00 WT2 O ATOM 30866 H1 TIP3 4058 42.920 90.792 39.232 1.00 0.00 WT2 H ATOM 30867 H2 TIP3 4058 42.721 91.039 40.712 1.00 0.00 WT2 H ATOM 30868 OH2 TIP3 4059 66.597 28.061 55.091 1.00 0.00 WT2 O ATOM 30869 H1 TIP3 4059 65.968 28.757 55.280 1.00 0.00 WT2 H ATOM 30870 H2 TIP3 4059 66.060 27.328 54.790 1.00 0.00 WT2 H ATOM 30871 OH2 TIP3 4060 75.379 39.931 -2.721 1.00 0.00 WT2 O ATOM 30872 H1 TIP3 4060 74.895 40.334 -3.441 1.00 0.00 WT2 H ATOM 30873 H2 TIP3 4060 75.238 38.991 -2.832 1.00 0.00 WT2 H ATOM 30874 OH2 TIP3 4064 27.027 81.813 23.871 1.00 0.00 WT2 O ATOM 30875 H1 TIP3 4064 27.064 82.222 24.735 1.00 0.00 WT2 H ATOM 30876 H2 TIP3 4064 26.615 82.471 23.311 1.00 0.00 WT2 H ATOM 30877 OH2 TIP3 4072 46.414 60.119 57.386 1.00 0.00 WT2 O ATOM 30878 H1 TIP3 4072 46.931 59.947 56.599 1.00 0.00 WT2 H ATOM 30879 H2 TIP3 4072 45.604 60.511 57.060 1.00 0.00 WT2 H ATOM 30880 OH2 TIP3 4074 61.176 88.360 54.297 1.00 0.00 WT2 O ATOM 30881 H1 TIP3 4074 61.386 87.476 54.599 1.00 0.00 WT2 H ATOM 30882 H2 TIP3 4074 61.803 88.529 53.594 1.00 0.00 WT2 H ATOM 30883 OH2 TIP3 4076 61.441 40.728 -12.920 1.00 0.00 WT2 O ATOM 30884 H1 TIP3 4076 60.980 40.135 -13.513 1.00 0.00 WT2 H ATOM 30885 H2 TIP3 4076 61.886 40.150 -12.300 1.00 0.00 WT2 H ATOM 30886 OH2 TIP3 4077 79.191 29.337 53.601 1.00 0.00 WT2 O ATOM 30887 H1 TIP3 4077 79.161 28.389 53.468 1.00 0.00 WT2 H ATOM 30888 H2 TIP3 4077 79.868 29.465 54.265 1.00 0.00 WT2 H ATOM 30889 OH2 TIP3 4078 54.699 1.650 66.562 1.00 0.00 WT2 O ATOM 30890 H1 TIP3 4078 53.878 1.177 66.422 1.00 0.00 WT2 H ATOM 30891 H2 TIP3 4078 54.666 1.924 67.478 1.00 0.00 WT2 H ATOM 30892 OH2 TIP3 4083 35.709 31.321 17.298 1.00 0.00 WT2 O ATOM 30893 H1 TIP3 4083 36.417 31.907 17.029 1.00 0.00 WT2 H ATOM 30894 H2 TIP3 4083 35.261 31.793 17.999 1.00 0.00 WT2 H ATOM 30895 OH2 TIP3 4093 86.031 57.609 39.010 1.00 0.00 WT2 O ATOM 30896 H1 TIP3 4093 86.222 56.997 38.299 1.00 0.00 WT2 H ATOM 30897 H2 TIP3 4093 85.088 57.765 38.945 1.00 0.00 WT2 H ATOM 30898 OH2 TIP3 4097 27.289 77.238 17.986 1.00 0.00 WT2 O ATOM 30899 H1 TIP3 4097 26.391 77.001 17.755 1.00 0.00 WT2 H ATOM 30900 H2 TIP3 4097 27.723 77.385 17.145 1.00 0.00 WT2 H ATOM 30901 OH2 TIP3 4098 21.555 46.774 46.338 1.00 0.00 WT2 O ATOM 30902 H1 TIP3 4098 21.784 47.348 45.606 1.00 0.00 WT2 H ATOM 30903 H2 TIP3 4098 20.629 46.572 46.203 1.00 0.00 WT2 H ATOM 30904 OH2 TIP3 4099 29.229 29.436 -12.275 1.00 0.00 WT2 O ATOM 30905 H1 TIP3 4099 30.125 29.199 -12.513 1.00 0.00 WT2 H ATOM 30906 H2 TIP3 4099 28.791 28.599 -12.121 1.00 0.00 WT2 H ATOM 30907 OH2 TIP3 4100 24.473 84.253 31.962 1.00 0.00 WT2 O ATOM 30908 H1 TIP3 4100 24.049 84.748 32.664 1.00 0.00 WT2 H ATOM 30909 H2 TIP3 4100 24.080 84.593 31.158 1.00 0.00 WT2 H ATOM 30910 OH2 TIP3 4101 73.609 90.168 -9.224 1.00 0.00 WT2 O ATOM 30911 H1 TIP3 4101 73.526 89.617 -10.002 1.00 0.00 WT2 H ATOM 30912 H2 TIP3 4101 72.839 89.956 -8.696 1.00 0.00 WT2 H ATOM 30913 OH2 TIP3 4104 58.398 43.178 3.190 1.00 0.00 WT2 O ATOM 30914 H1 TIP3 4104 58.318 42.518 3.878 1.00 0.00 WT2 H ATOM 30915 H2 TIP3 4104 58.351 44.015 3.653 1.00 0.00 WT2 H ATOM 30916 OH2 TIP3 4116 54.140 68.395 6.791 1.00 0.00 WT2 O ATOM 30917 H1 TIP3 4116 53.713 67.769 7.375 1.00 0.00 WT2 H ATOM 30918 H2 TIP3 4116 53.961 69.250 7.183 1.00 0.00 WT2 H ATOM 30919 OH2 TIP3 4119 24.765 48.189 -11.808 1.00 0.00 WT2 O ATOM 30920 H1 TIP3 4119 25.586 48.436 -11.381 1.00 0.00 WT2 H ATOM 30921 H2 TIP3 4119 24.998 48.083 -12.730 1.00 0.00 WT2 H ATOM 30922 OH2 TIP3 4120 55.437 27.175 -14.437 1.00 0.00 WT2 O ATOM 30923 H1 TIP3 4120 54.765 27.853 -14.364 1.00 0.00 WT2 H ATOM 30924 H2 TIP3 4120 55.568 27.068 -15.380 1.00 0.00 WT2 H ATOM 30925 OH2 TIP3 4121 28.807 39.911 51.507 1.00 0.00 WT2 O ATOM 30926 H1 TIP3 4121 28.474 40.241 50.673 1.00 0.00 WT2 H ATOM 30927 H2 TIP3 4121 29.322 39.139 51.272 1.00 0.00 WT2 H ATOM 30928 OH2 TIP3 4123 40.877 17.655 5.321 1.00 0.00 WT2 O ATOM 30929 H1 TIP3 4123 40.603 18.155 6.090 1.00 0.00 WT2 H ATOM 30930 H2 TIP3 4123 41.349 18.288 4.779 1.00 0.00 WT2 H ATOM 30931 OH2 TIP3 4138 20.255 56.601 62.325 1.00 0.00 WT2 O ATOM 30932 H1 TIP3 4138 21.078 56.113 62.324 1.00 0.00 WT2 H ATOM 30933 H2 TIP3 4138 19.576 55.926 62.338 1.00 0.00 WT2 H ATOM 30934 OH2 TIP3 4139 87.076 41.545 23.724 1.00 0.00 WT2 O ATOM 30935 H1 TIP3 4139 86.570 41.838 24.481 1.00 0.00 WT2 H ATOM 30936 H2 TIP3 4139 86.999 42.261 23.093 1.00 0.00 WT2 H ATOM 30937 OH2 TIP3 4140 55.265 2.245 20.344 1.00 0.00 WT2 O ATOM 30938 H1 TIP3 4140 55.537 3.162 20.357 1.00 0.00 WT2 H ATOM 30939 H2 TIP3 4140 55.276 1.979 21.264 1.00 0.00 WT2 H ATOM 30940 OH2 TIP3 4141 86.029 59.871 47.816 1.00 0.00 WT2 O ATOM 30941 H1 TIP3 4141 86.274 60.077 48.718 1.00 0.00 WT2 H ATOM 30942 H2 TIP3 4141 86.435 59.020 47.646 1.00 0.00 WT2 H ATOM 30943 OH2 TIP3 4142 43.376 41.714 33.221 1.00 0.00 WT2 O ATOM 30944 H1 TIP3 4142 42.963 40.854 33.139 1.00 0.00 WT2 H ATOM 30945 H2 TIP3 4142 44.042 41.726 32.533 1.00 0.00 WT2 H ATOM 30946 OH2 TIP3 4143 79.453 20.133 -14.071 1.00 0.00 WT2 O ATOM 30947 H1 TIP3 4143 79.006 20.078 -14.915 1.00 0.00 WT2 H ATOM 30948 H2 TIP3 4143 78.881 19.661 -13.465 1.00 0.00 WT2 H ATOM 30949 OH2 TIP3 4157 33.023 40.954 -18.145 1.00 0.00 WT2 O ATOM 30950 H1 TIP3 4157 33.812 41.355 -17.780 1.00 0.00 WT2 H ATOM 30951 H2 TIP3 4157 32.521 40.673 -17.381 1.00 0.00 WT2 H ATOM 30952 OH2 TIP3 4158 20.767 76.697 15.588 1.00 0.00 WT2 O ATOM 30953 H1 TIP3 4158 21.067 75.859 15.939 1.00 0.00 WT2 H ATOM 30954 H2 TIP3 4158 19.869 76.530 15.302 1.00 0.00 WT2 H ATOM 30955 OH2 TIP3 4159 46.690 18.849 -2.194 1.00 0.00 WT2 O ATOM 30956 H1 TIP3 4159 46.191 18.066 -2.429 1.00 0.00 WT2 H ATOM 30957 H2 TIP3 4159 46.963 18.696 -1.290 1.00 0.00 WT2 H ATOM 30958 OH2 TIP3 4161 28.128 54.139 18.014 1.00 0.00 WT2 O ATOM 30959 H1 TIP3 4161 28.264 55.069 18.196 1.00 0.00 WT2 H ATOM 30960 H2 TIP3 4161 28.919 53.868 17.548 1.00 0.00 WT2 H ATOM 30961 OH2 TIP3 4165 42.678 83.425 -14.330 1.00 0.00 WT2 O ATOM 30962 H1 TIP3 4165 42.119 83.988 -13.793 1.00 0.00 WT2 H ATOM 30963 H2 TIP3 4165 43.184 82.916 -13.697 1.00 0.00 WT2 H ATOM 30964 OH2 TIP3 4179 53.393 0.716 37.890 1.00 0.00 WT2 O ATOM 30965 H1 TIP3 4179 53.053 0.387 37.058 1.00 0.00 WT2 H ATOM 30966 H2 TIP3 4179 54.254 0.306 37.976 1.00 0.00 WT2 H ATOM 30967 OH2 TIP3 4181 79.156 31.345 57.720 1.00 0.00 WT2 O ATOM 30968 H1 TIP3 4181 78.782 32.055 57.199 1.00 0.00 WT2 H ATOM 30969 H2 TIP3 4181 80.035 31.650 57.945 1.00 0.00 WT2 H ATOM 30970 OH2 TIP3 4182 79.215 31.072 41.613 1.00 0.00 WT2 O ATOM 30971 H1 TIP3 4182 78.722 30.258 41.509 1.00 0.00 WT2 H ATOM 30972 H2 TIP3 4182 79.435 31.334 40.719 1.00 0.00 WT2 H ATOM 30973 OH2 TIP3 4183 46.723 65.058 5.275 1.00 0.00 WT2 O ATOM 30974 H1 TIP3 4183 46.860 64.291 5.832 1.00 0.00 WT2 H ATOM 30975 H2 TIP3 4183 47.371 65.694 5.578 1.00 0.00 WT2 H ATOM 30976 OH2 TIP3 4184 28.933 1.082 43.155 1.00 0.00 WT2 O ATOM 30977 H1 TIP3 4184 28.983 2.035 43.076 1.00 0.00 WT2 H ATOM 30978 H2 TIP3 4184 27.995 0.892 43.168 1.00 0.00 WT2 H ATOM 30979 OH2 TIP3 4186 32.683 9.955 22.821 1.00 0.00 WT2 O ATOM 30980 H1 TIP3 4186 32.299 10.128 21.962 1.00 0.00 WT2 H ATOM 30981 H2 TIP3 4186 33.591 10.248 22.742 1.00 0.00 WT2 H ATOM 30982 OH2 TIP3 4187 38.828 19.622 9.547 1.00 0.00 WT2 O ATOM 30983 H1 TIP3 4187 39.094 18.974 10.199 1.00 0.00 WT2 H ATOM 30984 H2 TIP3 4187 38.365 20.293 10.050 1.00 0.00 WT2 H ATOM 30985 OH2 TIP3 4198 65.744 28.120 7.575 1.00 0.00 WT2 O ATOM 30986 H1 TIP3 4198 64.977 28.220 8.139 1.00 0.00 WT2 H ATOM 30987 H2 TIP3 4198 66.173 28.976 7.600 1.00 0.00 WT2 H ATOM 30988 OH2 TIP3 4200 72.092 45.797 -11.742 1.00 0.00 WT2 O ATOM 30989 H1 TIP3 4200 72.249 45.717 -10.801 1.00 0.00 WT2 H ATOM 30990 H2 TIP3 4200 72.615 46.552 -12.009 1.00 0.00 WT2 H ATOM 30991 OH2 TIP3 4201 38.759 23.616 -3.774 1.00 0.00 WT2 O ATOM 30992 H1 TIP3 4201 39.320 23.099 -3.196 1.00 0.00 WT2 H ATOM 30993 H2 TIP3 4201 38.826 24.510 -3.439 1.00 0.00 WT2 H ATOM 30994 OH2 TIP3 4202 65.877 73.993 57.097 1.00 0.00 WT2 O ATOM 30995 H1 TIP3 4202 66.362 74.798 57.280 1.00 0.00 WT2 H ATOM 30996 H2 TIP3 4202 65.263 74.236 56.403 1.00 0.00 WT2 H ATOM 30997 OH2 TIP3 4205 23.332 46.730 4.969 1.00 0.00 WT2 O ATOM 30998 H1 TIP3 4205 22.535 47.256 5.022 1.00 0.00 WT2 H ATOM 30999 H2 TIP3 4205 23.458 46.394 5.856 1.00 0.00 WT2 H ATOM 31000 OH2 TIP3 4206 57.154 68.492 24.627 1.00 0.00 WT2 O ATOM 31001 H1 TIP3 4206 57.425 67.850 23.971 1.00 0.00 WT2 H ATOM 31002 H2 TIP3 4206 56.346 68.868 24.277 1.00 0.00 WT2 H ATOM 31003 OH2 TIP3 4207 52.201 26.440 -4.092 1.00 0.00 WT2 O ATOM 31004 H1 TIP3 4207 51.658 26.848 -3.418 1.00 0.00 WT2 H ATOM 31005 H2 TIP3 4207 51.747 25.625 -4.306 1.00 0.00 WT2 H ATOM 31006 OH2 TIP3 4218 70.630 23.129 39.419 1.00 0.00 WT2 O ATOM 31007 H1 TIP3 4218 70.811 22.189 39.382 1.00 0.00 WT2 H ATOM 31008 H2 TIP3 4218 71.242 23.515 38.792 1.00 0.00 WT2 H ATOM 31009 OH2 TIP3 4219 42.155 53.256 -13.366 1.00 0.00 WT2 O ATOM 31010 H1 TIP3 4219 41.730 53.196 -12.511 1.00 0.00 WT2 H ATOM 31011 H2 TIP3 4219 42.463 54.161 -13.418 1.00 0.00 WT2 H ATOM 31012 OH2 TIP3 4224 37.198 28.871 24.318 1.00 0.00 WT2 O ATOM 31013 H1 TIP3 4224 37.779 29.631 24.265 1.00 0.00 WT2 H ATOM 31014 H2 TIP3 4224 37.327 28.412 23.489 1.00 0.00 WT2 H ATOM 31015 OH2 TIP3 4225 27.176 37.328 49.135 1.00 0.00 WT2 O ATOM 31016 H1 TIP3 4225 27.608 36.875 48.411 1.00 0.00 WT2 H ATOM 31017 H2 TIP3 4225 26.595 37.960 48.711 1.00 0.00 WT2 H ATOM 31018 OH2 TIP3 4226 35.691 43.623 66.629 1.00 0.00 WT2 O ATOM 31019 H1 TIP3 4226 35.161 44.165 67.212 1.00 0.00 WT2 H ATOM 31020 H2 TIP3 4226 36.244 44.247 66.157 1.00 0.00 WT2 H ATOM 31021 OH2 TIP3 4227 43.999 28.248 -4.540 1.00 0.00 WT2 O ATOM 31022 H1 TIP3 4227 44.076 27.614 -3.827 1.00 0.00 WT2 H ATOM 31023 H2 TIP3 4227 44.661 27.976 -5.176 1.00 0.00 WT2 H ATOM 31024 OH2 TIP3 4229 72.572 73.408 -6.256 1.00 0.00 WT2 O ATOM 31025 H1 TIP3 4229 73.474 73.099 -6.167 1.00 0.00 WT2 H ATOM 31026 H2 TIP3 4229 72.039 72.702 -5.891 1.00 0.00 WT2 H ATOM 31027 OH2 TIP3 4243 40.633 15.174 -6.511 1.00 0.00 WT2 O ATOM 31028 H1 TIP3 4243 40.174 14.564 -7.088 1.00 0.00 WT2 H ATOM 31029 H2 TIP3 4243 40.202 16.016 -6.660 1.00 0.00 WT2 H ATOM 31030 OH2 TIP3 4245 57.814 43.126 64.239 1.00 0.00 WT2 O ATOM 31031 H1 TIP3 4245 57.684 42.508 63.520 1.00 0.00 WT2 H ATOM 31032 H2 TIP3 4245 57.308 42.760 64.964 1.00 0.00 WT2 H ATOM 31033 OH2 TIP3 4246 48.207 57.373 -7.546 1.00 0.00 WT2 O ATOM 31034 H1 TIP3 4246 48.335 58.200 -7.082 1.00 0.00 WT2 H ATOM 31035 H2 TIP3 4246 49.093 57.045 -7.701 1.00 0.00 WT2 H ATOM 31036 OH2 TIP3 4247 67.277 45.160 62.560 1.00 0.00 WT2 O ATOM 31037 H1 TIP3 4247 67.753 44.412 62.921 1.00 0.00 WT2 H ATOM 31038 H2 TIP3 4247 67.898 45.887 62.615 1.00 0.00 WT2 H ATOM 31039 OH2 TIP3 4248 41.595 19.408 55.891 1.00 0.00 WT2 O ATOM 31040 H1 TIP3 4248 41.173 19.434 55.032 1.00 0.00 WT2 H ATOM 31041 H2 TIP3 4248 42.523 19.277 55.699 1.00 0.00 WT2 H ATOM 31042 OH2 TIP3 4251 46.564 8.041 -10.417 1.00 0.00 WT2 O ATOM 31043 H1 TIP3 4251 47.174 8.632 -9.974 1.00 0.00 WT2 H ATOM 31044 H2 TIP3 4251 46.157 7.543 -9.708 1.00 0.00 WT2 H ATOM 31045 OH2 TIP3 4262 48.805 48.640 43.329 1.00 0.00 WT2 O ATOM 31046 H1 TIP3 4262 49.530 49.235 43.522 1.00 0.00 WT2 H ATOM 31047 H2 TIP3 4262 48.411 48.992 42.531 1.00 0.00 WT2 H ATOM 31048 OH2 TIP3 4264 63.028 58.933 57.120 1.00 0.00 WT2 O ATOM 31049 H1 TIP3 4264 62.273 59.515 57.030 1.00 0.00 WT2 H ATOM 31050 H2 TIP3 4264 62.987 58.365 56.351 1.00 0.00 WT2 H ATOM 31051 OH2 TIP3 4266 64.502 37.373 2.829 1.00 0.00 WT2 O ATOM 31052 H1 TIP3 4266 65.234 37.951 3.042 1.00 0.00 WT2 H ATOM 31053 H2 TIP3 4266 63.733 37.819 3.183 1.00 0.00 WT2 H ATOM 31054 OH2 TIP3 4267 38.287 19.725 42.646 1.00 0.00 WT2 O ATOM 31055 H1 TIP3 4267 37.833 20.532 42.405 1.00 0.00 WT2 H ATOM 31056 H2 TIP3 4267 37.965 19.522 43.524 1.00 0.00 WT2 H ATOM 31057 OH2 TIP3 4268 34.760 64.161 -2.481 1.00 0.00 WT2 O ATOM 31058 H1 TIP3 4268 34.567 64.108 -1.544 1.00 0.00 WT2 H ATOM 31059 H2 TIP3 4268 34.954 65.086 -2.634 1.00 0.00 WT2 H ATOM 31060 OH2 TIP3 4269 81.255 78.813 54.878 1.00 0.00 WT2 O ATOM 31061 H1 TIP3 4269 80.691 78.273 54.324 1.00 0.00 WT2 H ATOM 31062 H2 TIP3 4269 81.366 79.627 54.388 1.00 0.00 WT2 H ATOM 31063 OH2 TIP3 4282 34.566 29.480 52.551 1.00 0.00 WT2 O ATOM 31064 H1 TIP3 4282 35.168 29.004 51.979 1.00 0.00 WT2 H ATOM 31065 H2 TIP3 4282 33.731 29.022 52.455 1.00 0.00 WT2 H ATOM 31066 OH2 TIP3 4283 28.994 41.504 -18.854 1.00 0.00 WT2 O ATOM 31067 H1 TIP3 4283 28.191 42.023 -18.894 1.00 0.00 WT2 H ATOM 31068 H2 TIP3 4283 28.729 40.630 -19.143 1.00 0.00 WT2 H ATOM 31069 OH2 TIP3 4287 23.169 21.471 -10.729 1.00 0.00 WT2 O ATOM 31070 H1 TIP3 4287 23.019 22.353 -10.388 1.00 0.00 WT2 H ATOM 31071 H2 TIP3 4287 23.353 20.942 -9.953 1.00 0.00 WT2 H ATOM 31072 OH2 TIP3 4288 35.596 33.655 23.697 1.00 0.00 WT2 O ATOM 31073 H1 TIP3 4288 36.342 34.152 23.363 1.00 0.00 WT2 H ATOM 31074 H2 TIP3 4288 35.928 32.763 23.799 1.00 0.00 WT2 H ATOM 31075 OH2 TIP3 4289 83.729 5.700 45.960 1.00 0.00 WT2 O ATOM 31076 H1 TIP3 4289 83.093 4.986 45.934 1.00 0.00 WT2 H ATOM 31077 H2 TIP3 4289 84.534 5.318 45.610 1.00 0.00 WT2 H ATOM 31078 OH2 TIP3 4290 35.648 95.662 38.481 1.00 0.00 WT2 O ATOM 31079 H1 TIP3 4290 35.976 94.855 38.083 1.00 0.00 WT2 H ATOM 31080 H2 TIP3 4290 35.943 95.618 39.391 1.00 0.00 WT2 H ATOM 31081 OH2 TIP3 4293 72.218 15.699 2.718 1.00 0.00 WT2 O ATOM 31082 H1 TIP3 4293 71.291 15.549 2.902 1.00 0.00 WT2 H ATOM 31083 H2 TIP3 4293 72.681 15.181 3.377 1.00 0.00 WT2 H ATOM 31084 OH2 TIP3 4297 23.895 25.358 13.294 1.00 0.00 WT2 O ATOM 31085 H1 TIP3 4297 24.198 24.801 14.011 1.00 0.00 WT2 H ATOM 31086 H2 TIP3 4297 23.918 26.245 13.654 1.00 0.00 WT2 H ATOM 31087 OH2 TIP3 4304 58.218 3.012 62.628 1.00 0.00 WT2 O ATOM 31088 H1 TIP3 4304 57.270 3.107 62.721 1.00 0.00 WT2 H ATOM 31089 H2 TIP3 4304 58.357 2.068 62.547 1.00 0.00 WT2 H ATOM 31090 OH2 TIP3 4306 29.960 40.012 31.568 1.00 0.00 WT2 O ATOM 31091 H1 TIP3 4306 30.350 39.138 31.589 1.00 0.00 WT2 H ATOM 31092 H2 TIP3 4306 30.388 40.447 30.830 1.00 0.00 WT2 H ATOM 31093 OH2 TIP3 4307 65.401 4.306 -5.554 1.00 0.00 WT2 O ATOM 31094 H1 TIP3 4307 65.170 4.885 -6.280 1.00 0.00 WT2 H ATOM 31095 H2 TIP3 4307 65.580 3.462 -5.969 1.00 0.00 WT2 H ATOM 31096 OH2 TIP3 4311 44.615 13.641 -4.776 1.00 0.00 WT2 O ATOM 31097 H1 TIP3 4311 44.372 13.300 -3.915 1.00 0.00 WT2 H ATOM 31098 H2 TIP3 4311 44.824 12.863 -5.292 1.00 0.00 WT2 H ATOM 31099 OH2 TIP3 4313 33.104 91.204 60.328 1.00 0.00 WT2 O ATOM 31100 H1 TIP3 4313 33.109 90.670 59.533 1.00 0.00 WT2 H ATOM 31101 H2 TIP3 4313 32.242 91.620 60.332 1.00 0.00 WT2 H ATOM 31102 OH2 TIP3 4321 53.710 29.684 51.629 1.00 0.00 WT2 O ATOM 31103 H1 TIP3 4321 53.029 29.398 51.020 1.00 0.00 WT2 H ATOM 31104 H2 TIP3 4321 53.240 29.875 52.441 1.00 0.00 WT2 H ATOM 31105 OH2 TIP3 4328 87.725 28.459 39.493 1.00 0.00 WT2 O ATOM 31106 H1 TIP3 4328 87.434 27.896 40.210 1.00 0.00 WT2 H ATOM 31107 H2 TIP3 4328 87.237 28.149 38.730 1.00 0.00 WT2 H ATOM 31108 OH2 TIP3 4329 31.195 70.922 64.728 1.00 0.00 WT2 O ATOM 31109 H1 TIP3 4329 30.461 70.559 64.232 1.00 0.00 WT2 H ATOM 31110 H2 TIP3 4329 30.796 71.571 65.307 1.00 0.00 WT2 H ATOM 31111 OH2 TIP3 4330 34.286 48.611 57.055 1.00 0.00 WT2 O ATOM 31112 H1 TIP3 4330 34.574 49.241 57.715 1.00 0.00 WT2 H ATOM 31113 H2 TIP3 4330 34.100 47.813 57.551 1.00 0.00 WT2 H ATOM 31114 OH2 TIP3 4332 72.295 48.677 5.186 1.00 0.00 WT2 O ATOM 31115 H1 TIP3 4332 71.802 47.883 5.393 1.00 0.00 WT2 H ATOM 31116 H2 TIP3 4332 71.881 49.361 5.714 1.00 0.00 WT2 H ATOM 31117 OH2 TIP3 4337 22.334 48.010 34.365 1.00 0.00 WT2 O ATOM 31118 H1 TIP3 4337 21.478 48.379 34.583 1.00 0.00 WT2 H ATOM 31119 H2 TIP3 4337 22.711 48.630 33.740 1.00 0.00 WT2 H ATOM 31120 OH2 TIP3 4349 63.309 80.681 -11.083 1.00 0.00 WT2 O ATOM 31121 H1 TIP3 4349 64.264 80.726 -11.050 1.00 0.00 WT2 H ATOM 31122 H2 TIP3 4349 63.095 79.831 -10.698 1.00 0.00 WT2 H ATOM 31123 OH2 TIP3 4350 21.717 53.992 11.684 1.00 0.00 WT2 O ATOM 31124 H1 TIP3 4350 21.505 54.925 11.664 1.00 0.00 WT2 H ATOM 31125 H2 TIP3 4350 21.546 53.688 10.793 1.00 0.00 WT2 H ATOM 31126 OH2 TIP3 4351 42.171 40.200 28.396 1.00 0.00 WT2 O ATOM 31127 H1 TIP3 4351 42.686 40.033 27.607 1.00 0.00 WT2 H ATOM 31128 H2 TIP3 4351 42.647 39.749 29.093 1.00 0.00 WT2 H ATOM 31129 OH2 TIP3 4352 24.731 18.046 -7.476 1.00 0.00 WT2 O ATOM 31130 H1 TIP3 4352 24.827 17.493 -8.251 1.00 0.00 WT2 H ATOM 31131 H2 TIP3 4352 25.598 18.043 -7.071 1.00 0.00 WT2 H ATOM 31132 OH2 TIP3 4353 27.011 14.191 33.087 1.00 0.00 WT2 O ATOM 31133 H1 TIP3 4353 26.354 14.763 32.691 1.00 0.00 WT2 H ATOM 31134 H2 TIP3 4353 27.558 14.778 33.608 1.00 0.00 WT2 H ATOM 31135 OH2 TIP3 4356 55.658 24.049 9.161 1.00 0.00 WT2 O ATOM 31136 H1 TIP3 4356 55.871 24.964 9.343 1.00 0.00 WT2 H ATOM 31137 H2 TIP3 4356 55.163 23.760 9.928 1.00 0.00 WT2 H ATOM 31138 OH2 TIP3 4357 69.645 18.891 59.414 1.00 0.00 WT2 O ATOM 31139 H1 TIP3 4357 70.442 18.682 58.928 1.00 0.00 WT2 H ATOM 31140 H2 TIP3 4357 69.427 18.082 59.877 1.00 0.00 WT2 H ATOM 31141 OH2 TIP3 4363 76.387 56.254 22.498 1.00 0.00 WT2 O ATOM 31142 H1 TIP3 4363 76.859 55.647 23.068 1.00 0.00 WT2 H ATOM 31143 H2 TIP3 4363 75.507 56.300 22.873 1.00 0.00 WT2 H ATOM 31144 OH2 TIP3 4373 25.072 86.370 -8.263 1.00 0.00 WT2 O ATOM 31145 H1 TIP3 4373 25.545 85.544 -8.365 1.00 0.00 WT2 H ATOM 31146 H2 TIP3 4373 25.084 86.763 -9.136 1.00 0.00 WT2 H ATOM 31147 OH2 TIP3 4374 71.176 9.831 -18.810 1.00 0.00 WT2 O ATOM 31148 H1 TIP3 4374 70.228 9.893 -18.697 1.00 0.00 WT2 H ATOM 31149 H2 TIP3 4374 71.432 9.076 -18.280 1.00 0.00 WT2 H ATOM 31150 OH2 TIP3 4387 66.322 87.896 51.722 1.00 0.00 WT2 O ATOM 31151 H1 TIP3 4387 66.886 87.816 52.491 1.00 0.00 WT2 H ATOM 31152 H2 TIP3 4387 66.684 87.271 51.093 1.00 0.00 WT2 H ATOM 31153 OH2 TIP3 4391 71.477 63.797 -11.013 1.00 0.00 WT2 O ATOM 31154 H1 TIP3 4391 70.879 64.127 -11.684 1.00 0.00 WT2 H ATOM 31155 H2 TIP3 4391 71.052 63.005 -10.682 1.00 0.00 WT2 H ATOM 31156 OH2 TIP3 4392 68.990 38.191 23.370 1.00 0.00 WT2 O ATOM 31157 H1 TIP3 4392 68.456 38.285 22.581 1.00 0.00 WT2 H ATOM 31158 H2 TIP3 4392 69.733 37.655 23.095 1.00 0.00 WT2 H ATOM 31159 OH2 TIP3 4393 65.312 51.300 33.239 1.00 0.00 WT2 O ATOM 31160 H1 TIP3 4393 64.491 51.607 33.625 1.00 0.00 WT2 H ATOM 31161 H2 TIP3 4393 65.096 51.128 32.323 1.00 0.00 WT2 H ATOM 31162 OH2 TIP3 4394 35.097 79.850 2.677 1.00 0.00 WT2 O ATOM 31163 H1 TIP3 4394 35.997 79.668 2.407 1.00 0.00 WT2 H ATOM 31164 H2 TIP3 4394 34.938 79.247 3.403 1.00 0.00 WT2 H ATOM 31165 OH2 TIP3 4395 45.386 53.386 38.207 1.00 0.00 WT2 O ATOM 31166 H1 TIP3 4395 45.304 53.896 39.012 1.00 0.00 WT2 H ATOM 31167 H2 TIP3 4395 46.243 52.965 38.276 1.00 0.00 WT2 H ATOM 31168 OH2 TIP3 4399 59.637 30.489 31.372 1.00 0.00 WT2 O ATOM 31169 H1 TIP3 4399 58.763 30.328 31.728 1.00 0.00 WT2 H ATOM 31170 H2 TIP3 4399 59.652 31.428 31.186 1.00 0.00 WT2 H ATOM 31171 OH2 TIP3 4411 58.915 79.005 20.561 1.00 0.00 WT2 O ATOM 31172 H1 TIP3 4411 59.016 79.141 19.619 1.00 0.00 WT2 H ATOM 31173 H2 TIP3 4411 57.985 78.811 20.678 1.00 0.00 WT2 H ATOM 31174 OH2 TIP3 4414 51.542 75.633 64.043 1.00 0.00 WT2 O ATOM 31175 H1 TIP3 4414 50.680 75.234 64.166 1.00 0.00 WT2 H ATOM 31176 H2 TIP3 4414 51.936 75.627 64.915 1.00 0.00 WT2 H ATOM 31177 OH2 TIP3 4417 57.566 86.420 -13.834 1.00 0.00 WT2 O ATOM 31178 H1 TIP3 4417 57.590 86.482 -14.789 1.00 0.00 WT2 H ATOM 31179 H2 TIP3 4417 57.858 87.280 -13.531 1.00 0.00 WT2 H ATOM 31180 OH2 TIP3 4419 26.173 16.606 66.551 1.00 0.00 WT2 O ATOM 31181 H1 TIP3 4419 26.083 16.594 65.598 1.00 0.00 WT2 H ATOM 31182 H2 TIP3 4419 26.731 17.363 66.729 1.00 0.00 WT2 H ATOM 31183 OH2 TIP3 4432 65.638 36.293 -18.232 1.00 0.00 WT2 O ATOM 31184 H1 TIP3 4432 64.938 36.303 -17.579 1.00 0.00 WT2 H ATOM 31185 H2 TIP3 4432 65.534 37.116 -18.708 1.00 0.00 WT2 H ATOM 31186 OH2 TIP3 4434 59.094 58.651 61.214 1.00 0.00 WT2 O ATOM 31187 H1 TIP3 4434 59.185 59.477 61.689 1.00 0.00 WT2 H ATOM 31188 H2 TIP3 4434 59.902 58.576 60.706 1.00 0.00 WT2 H ATOM 31189 OH2 TIP3 4435 63.218 63.747 49.438 1.00 0.00 WT2 O ATOM 31190 H1 TIP3 4435 62.566 63.329 50.001 1.00 0.00 WT2 H ATOM 31191 H2 TIP3 4435 63.981 63.171 49.485 1.00 0.00 WT2 H ATOM 31192 OH2 TIP3 4437 73.130 23.975 46.263 1.00 0.00 WT2 O ATOM 31193 H1 TIP3 4437 72.779 23.220 46.735 1.00 0.00 WT2 H ATOM 31194 H2 TIP3 4437 74.077 23.836 46.258 1.00 0.00 WT2 H ATOM 31195 OH2 TIP3 4438 70.622 68.907 -18.846 1.00 0.00 WT2 O ATOM 31196 H1 TIP3 4438 69.946 68.454 -19.350 1.00 0.00 WT2 H ATOM 31197 H2 TIP3 4438 71.054 68.214 -18.347 1.00 0.00 WT2 H ATOM 31198 OH2 TIP3 4453 37.514 93.512 -8.170 1.00 0.00 WT2 O ATOM 31199 H1 TIP3 4453 38.239 92.970 -7.857 1.00 0.00 WT2 H ATOM 31200 H2 TIP3 4453 37.259 94.034 -7.409 1.00 0.00 WT2 H ATOM 31201 OH2 TIP3 4454 25.214 60.716 58.485 1.00 0.00 WT2 O ATOM 31202 H1 TIP3 4454 25.532 61.014 57.632 1.00 0.00 WT2 H ATOM 31203 H2 TIP3 4454 25.975 60.785 59.062 1.00 0.00 WT2 H ATOM 31204 OH2 TIP3 4455 63.850 18.275 12.479 1.00 0.00 WT2 O ATOM 31205 H1 TIP3 4455 64.058 17.396 12.160 1.00 0.00 WT2 H ATOM 31206 H2 TIP3 4455 63.751 18.801 11.686 1.00 0.00 WT2 H ATOM 31207 OH2 TIP3 4457 80.845 32.868 31.767 1.00 0.00 WT2 O ATOM 31208 H1 TIP3 4457 80.209 32.729 31.065 1.00 0.00 WT2 H ATOM 31209 H2 TIP3 4457 80.436 33.521 32.335 1.00 0.00 WT2 H ATOM 31210 OH2 TIP3 4461 31.581 29.349 45.221 1.00 0.00 WT2 O ATOM 31211 H1 TIP3 4461 31.673 29.569 46.148 1.00 0.00 WT2 H ATOM 31212 H2 TIP3 4461 32.400 29.643 44.822 1.00 0.00 WT2 H ATOM 31213 OH2 TIP3 4473 79.392 86.296 39.020 1.00 0.00 WT2 O ATOM 31214 H1 TIP3 4473 79.092 85.567 39.563 1.00 0.00 WT2 H ATOM 31215 H2 TIP3 4473 79.098 87.079 39.485 1.00 0.00 WT2 H ATOM 31216 OH2 TIP3 4474 74.721 94.586 59.537 1.00 0.00 WT2 O ATOM 31217 H1 TIP3 4474 74.714 95.247 58.845 1.00 0.00 WT2 H ATOM 31218 H2 TIP3 4474 73.801 94.485 59.782 1.00 0.00 WT2 H ATOM 31219 OH2 TIP3 4477 51.470 94.495 -17.486 1.00 0.00 WT2 O ATOM 31220 H1 TIP3 4477 52.165 93.839 -17.437 1.00 0.00 WT2 H ATOM 31221 H2 TIP3 4477 50.666 93.987 -17.591 1.00 0.00 WT2 H ATOM 31222 OH2 TIP3 4478 59.657 63.094 66.378 1.00 0.00 WT2 O ATOM 31223 H1 TIP3 4478 60.357 62.591 65.961 1.00 0.00 WT2 H ATOM 31224 H2 TIP3 4478 59.565 62.704 67.247 1.00 0.00 WT2 H ATOM 31225 OH2 TIP3 4479 42.424 32.781 40.077 1.00 0.00 WT2 O ATOM 31226 H1 TIP3 4479 42.735 32.192 39.389 1.00 0.00 WT2 H ATOM 31227 H2 TIP3 4479 43.198 33.284 40.330 1.00 0.00 WT2 H ATOM 31228 OH2 TIP3 4480 32.444 94.601 20.868 1.00 0.00 WT2 O ATOM 31229 H1 TIP3 4480 32.049 95.320 21.360 1.00 0.00 WT2 H ATOM 31230 H2 TIP3 4480 33.314 94.496 21.252 1.00 0.00 WT2 H ATOM 31231 OH2 TIP3 4481 69.531 13.372 64.344 1.00 0.00 WT2 O ATOM 31232 H1 TIP3 4481 69.566 13.404 63.388 1.00 0.00 WT2 H ATOM 31233 H2 TIP3 4481 70.444 13.273 64.615 1.00 0.00 WT2 H ATOM 31234 OH2 TIP3 4496 47.325 11.567 -6.383 1.00 0.00 WT2 O ATOM 31235 H1 TIP3 4496 46.464 11.152 -6.437 1.00 0.00 WT2 H ATOM 31236 H2 TIP3 4496 47.665 11.304 -5.528 1.00 0.00 WT2 H ATOM 31237 OH2 TIP3 4497 46.992 50.378 31.689 1.00 0.00 WT2 O ATOM 31238 H1 TIP3 4497 47.746 50.371 31.100 1.00 0.00 WT2 H ATOM 31239 H2 TIP3 4497 46.448 49.649 31.391 1.00 0.00 WT2 H ATOM 31240 OH2 TIP3 4499 82.806 37.246 -5.201 1.00 0.00 WT2 O ATOM 31241 H1 TIP3 4499 82.579 37.823 -4.472 1.00 0.00 WT2 H ATOM 31242 H2 TIP3 4499 82.560 36.371 -4.900 1.00 0.00 WT2 H ATOM 31243 OH2 TIP3 4500 64.462 69.844 57.189 1.00 0.00 WT2 O ATOM 31244 H1 TIP3 4500 65.296 70.121 57.567 1.00 0.00 WT2 H ATOM 31245 H2 TIP3 4500 64.647 69.734 56.256 1.00 0.00 WT2 H ATOM 31246 OH2 TIP3 4501 49.300 53.140 62.980 1.00 0.00 WT2 O ATOM 31247 H1 TIP3 4501 49.102 53.512 63.839 1.00 0.00 WT2 H ATOM 31248 H2 TIP3 4501 48.533 53.347 62.446 1.00 0.00 WT2 H ATOM 31249 OH2 TIP3 4513 29.507 71.993 42.128 1.00 0.00 WT2 O ATOM 31250 H1 TIP3 4513 29.656 72.334 41.246 1.00 0.00 WT2 H ATOM 31251 H2 TIP3 4513 30.278 72.267 42.625 1.00 0.00 WT2 H ATOM 31252 OH2 TIP3 4515 27.452 27.597 43.906 1.00 0.00 WT2 O ATOM 31253 H1 TIP3 4515 28.320 27.797 43.556 1.00 0.00 WT2 H ATOM 31254 H2 TIP3 4515 26.922 28.363 43.686 1.00 0.00 WT2 H ATOM 31255 OH2 TIP3 4516 39.633 36.806 -2.959 1.00 0.00 WT2 O ATOM 31256 H1 TIP3 4516 39.727 37.752 -2.850 1.00 0.00 WT2 H ATOM 31257 H2 TIP3 4516 40.528 36.469 -2.908 1.00 0.00 WT2 H ATOM 31258 OH2 TIP3 4517 32.786 77.292 -4.071 1.00 0.00 WT2 O ATOM 31259 H1 TIP3 4517 33.416 77.405 -4.782 1.00 0.00 WT2 H ATOM 31260 H2 TIP3 4517 31.948 77.561 -4.448 1.00 0.00 WT2 H ATOM 31261 OH2 TIP3 4518 40.321 21.819 40.316 1.00 0.00 WT2 O ATOM 31262 H1 TIP3 4518 40.817 21.049 40.592 1.00 0.00 WT2 H ATOM 31263 H2 TIP3 4518 40.588 21.963 39.408 1.00 0.00 WT2 H ATOM 31264 OH2 TIP3 4519 68.429 46.159 47.777 1.00 0.00 WT2 O ATOM 31265 H1 TIP3 4519 68.858 45.460 48.271 1.00 0.00 WT2 H ATOM 31266 H2 TIP3 4519 68.923 46.213 46.959 1.00 0.00 WT2 H ATOM 31267 OH2 TIP3 4523 29.261 93.091 32.871 1.00 0.00 WT2 O ATOM 31268 H1 TIP3 4523 29.584 92.371 33.413 1.00 0.00 WT2 H ATOM 31269 H2 TIP3 4523 29.573 93.881 33.312 1.00 0.00 WT2 H ATOM 31270 OH2 TIP3 4524 24.519 76.901 45.099 1.00 0.00 WT2 O ATOM 31271 H1 TIP3 4524 24.518 76.345 44.320 1.00 0.00 WT2 H ATOM 31272 H2 TIP3 4524 23.903 77.604 44.892 1.00 0.00 WT2 H ATOM 31273 OH2 TIP3 4536 89.675 46.553 45.457 1.00 0.00 WT2 O ATOM 31274 H1 TIP3 4536 88.944 46.086 45.863 1.00 0.00 WT2 H ATOM 31275 H2 TIP3 4536 89.494 46.512 44.518 1.00 0.00 WT2 H ATOM 31276 OH2 TIP3 4537 87.072 91.627 42.754 1.00 0.00 WT2 O ATOM 31277 H1 TIP3 4537 87.223 90.819 42.265 1.00 0.00 WT2 H ATOM 31278 H2 TIP3 4537 87.144 91.369 43.673 1.00 0.00 WT2 H ATOM 31279 OH2 TIP3 4538 79.795 42.543 54.286 1.00 0.00 WT2 O ATOM 31280 H1 TIP3 4538 80.231 43.155 53.693 1.00 0.00 WT2 H ATOM 31281 H2 TIP3 4538 79.436 41.867 53.711 1.00 0.00 WT2 H ATOM 31282 OH2 TIP3 4540 62.256 39.459 50.913 1.00 0.00 WT2 O ATOM 31283 H1 TIP3 4540 61.632 39.006 50.346 1.00 0.00 WT2 H ATOM 31284 H2 TIP3 4540 61.710 39.947 51.530 1.00 0.00 WT2 H ATOM 31285 OH2 TIP3 4544 86.321 30.985 11.302 1.00 0.00 WT2 O ATOM 31286 H1 TIP3 4544 86.129 30.460 12.080 1.00 0.00 WT2 H ATOM 31287 H2 TIP3 4544 86.698 31.794 11.646 1.00 0.00 WT2 H ATOM 31288 OH2 TIP3 4553 23.258 77.927 50.477 1.00 0.00 WT2 O ATOM 31289 H1 TIP3 4553 23.623 77.757 51.346 1.00 0.00 WT2 H ATOM 31290 H2 TIP3 4553 22.432 77.444 50.465 1.00 0.00 WT2 H ATOM 31291 OH2 TIP3 4558 55.253 62.094 -2.371 1.00 0.00 WT2 O ATOM 31292 H1 TIP3 4558 54.629 61.772 -1.720 1.00 0.00 WT2 H ATOM 31293 H2 TIP3 4558 55.826 62.685 -1.882 1.00 0.00 WT2 H ATOM 31294 OH2 TIP3 4559 32.690 13.853 26.911 1.00 0.00 WT2 O ATOM 31295 H1 TIP3 4559 32.615 14.431 26.152 1.00 0.00 WT2 H ATOM 31296 H2 TIP3 4559 32.407 14.390 27.651 1.00 0.00 WT2 H ATOM 31297 OH2 TIP3 4560 45.818 38.175 27.703 1.00 0.00 WT2 O ATOM 31298 H1 TIP3 4560 46.065 37.960 26.803 1.00 0.00 WT2 H ATOM 31299 H2 TIP3 4560 45.211 37.480 27.957 1.00 0.00 WT2 H ATOM 31300 OH2 TIP3 4561 40.905 86.952 1.319 1.00 0.00 WT2 O ATOM 31301 H1 TIP3 4561 41.316 87.570 1.924 1.00 0.00 WT2 H ATOM 31302 H2 TIP3 4561 40.476 86.311 1.886 1.00 0.00 WT2 H ATOM 31303 OH2 TIP3 4562 63.376 12.097 32.520 1.00 0.00 WT2 O ATOM 31304 H1 TIP3 4562 64.091 11.518 32.257 1.00 0.00 WT2 H ATOM 31305 H2 TIP3 4562 62.915 12.295 31.705 1.00 0.00 WT2 H ATOM 31306 OH2 TIP3 4563 73.684 94.547 -14.049 1.00 0.00 WT2 O ATOM 31307 H1 TIP3 4563 74.189 93.852 -14.471 1.00 0.00 WT2 H ATOM 31308 H2 TIP3 4563 73.330 94.141 -13.258 1.00 0.00 WT2 H ATOM 31309 OH2 TIP3 4565 88.724 35.895 38.135 1.00 0.00 WT2 O ATOM 31310 H1 TIP3 4565 89.305 35.523 38.799 1.00 0.00 WT2 H ATOM 31311 H2 TIP3 4565 89.165 36.697 37.853 1.00 0.00 WT2 H ATOM 31312 OH2 TIP3 4569 40.915 50.011 -4.404 1.00 0.00 WT2 O ATOM 31313 H1 TIP3 4569 41.575 50.686 -4.561 1.00 0.00 WT2 H ATOM 31314 H2 TIP3 4569 40.870 49.936 -3.451 1.00 0.00 WT2 H ATOM 31315 OH2 TIP3 4578 66.232 61.906 -12.003 1.00 0.00 WT2 O ATOM 31316 H1 TIP3 4578 65.998 62.231 -11.134 1.00 0.00 WT2 H ATOM 31317 H2 TIP3 4578 65.487 61.367 -12.267 1.00 0.00 WT2 H ATOM 31318 OH2 TIP3 4581 30.350 44.378 39.023 1.00 0.00 WT2 O ATOM 31319 H1 TIP3 4581 30.918 44.922 39.568 1.00 0.00 WT2 H ATOM 31320 H2 TIP3 4581 29.536 44.306 39.520 1.00 0.00 WT2 H ATOM 31321 OH2 TIP3 4582 23.266 85.388 33.943 1.00 0.00 WT2 O ATOM 31322 H1 TIP3 4582 23.281 86.203 34.444 1.00 0.00 WT2 H ATOM 31323 H2 TIP3 4582 22.892 84.743 34.544 1.00 0.00 WT2 H ATOM 31324 OH2 TIP3 4586 66.183 40.815 24.735 1.00 0.00 WT2 O ATOM 31325 H1 TIP3 4586 65.502 41.484 24.803 1.00 0.00 WT2 H ATOM 31326 H2 TIP3 4586 65.852 40.201 24.080 1.00 0.00 WT2 H ATOM 31327 OH2 TIP3 4599 24.225 13.438 -3.804 1.00 0.00 WT2 O ATOM 31328 H1 TIP3 4599 23.764 14.043 -3.222 1.00 0.00 WT2 H ATOM 31329 H2 TIP3 4599 24.772 14.002 -4.351 1.00 0.00 WT2 H ATOM 31330 OH2 TIP3 4600 84.475 46.386 34.483 1.00 0.00 WT2 O ATOM 31331 H1 TIP3 4600 84.596 45.552 34.030 1.00 0.00 WT2 H ATOM 31332 H2 TIP3 4600 85.330 46.813 34.434 1.00 0.00 WT2 H ATOM 31333 OH2 TIP3 4602 35.884 71.938 28.698 1.00 0.00 WT2 O ATOM 31334 H1 TIP3 4602 36.425 72.706 28.512 1.00 0.00 WT2 H ATOM 31335 H2 TIP3 4602 36.461 71.350 29.186 1.00 0.00 WT2 H ATOM 31336 OH2 TIP3 4603 48.163 78.020 52.419 1.00 0.00 WT2 O ATOM 31337 H1 TIP3 4603 48.792 78.576 52.879 1.00 0.00 WT2 H ATOM 31338 H2 TIP3 4603 48.644 77.212 52.239 1.00 0.00 WT2 H ATOM 31339 OH2 TIP3 4621 44.613 15.876 46.298 1.00 0.00 WT2 O ATOM 31340 H1 TIP3 4621 45.019 16.517 45.714 1.00 0.00 WT2 H ATOM 31341 H2 TIP3 4621 44.158 15.272 45.712 1.00 0.00 WT2 H ATOM 31342 OH2 TIP3 4622 20.754 31.832 -14.003 1.00 0.00 WT2 O ATOM 31343 H1 TIP3 4622 20.684 31.084 -14.597 1.00 0.00 WT2 H ATOM 31344 H2 TIP3 4622 21.048 31.453 -13.175 1.00 0.00 WT2 H ATOM 31345 OH2 TIP3 4623 55.581 37.579 -19.843 1.00 0.00 WT2 O ATOM 31346 H1 TIP3 4623 55.543 38.006 -20.698 1.00 0.00 WT2 H ATOM 31347 H2 TIP3 4623 55.173 38.204 -19.244 1.00 0.00 WT2 H ATOM 31348 OH2 TIP3 4625 20.592 25.176 37.503 1.00 0.00 WT2 O ATOM 31349 H1 TIP3 4625 20.399 25.985 37.029 1.00 0.00 WT2 H ATOM 31350 H2 TIP3 4625 21.332 24.793 37.033 1.00 0.00 WT2 H ATOM 31351 OH2 TIP3 4627 46.160 48.069 64.391 1.00 0.00 WT2 O ATOM 31352 H1 TIP3 4627 47.023 48.472 64.490 1.00 0.00 WT2 H ATOM 31353 H2 TIP3 4627 46.340 47.210 64.008 1.00 0.00 WT2 H ATOM 31354 OH2 TIP3 4628 69.606 54.019 16.125 1.00 0.00 WT2 O ATOM 31355 H1 TIP3 4628 69.458 53.202 16.602 1.00 0.00 WT2 H ATOM 31356 H2 TIP3 4628 68.845 54.102 15.550 1.00 0.00 WT2 H ATOM 31357 OH2 TIP3 4641 40.295 50.970 37.682 1.00 0.00 WT2 O ATOM 31358 H1 TIP3 4641 39.914 51.229 38.521 1.00 0.00 WT2 H ATOM 31359 H2 TIP3 4641 40.033 51.664 37.076 1.00 0.00 WT2 H ATOM 31360 OH2 TIP3 4643 26.138 88.496 52.698 1.00 0.00 WT2 O ATOM 31361 H1 TIP3 4643 27.055 88.371 52.454 1.00 0.00 WT2 H ATOM 31362 H2 TIP3 4643 26.083 89.417 52.956 1.00 0.00 WT2 H ATOM 31363 OH2 TIP3 4644 46.443 38.737 34.704 1.00 0.00 WT2 O ATOM 31364 H1 TIP3 4644 47.198 38.166 34.561 1.00 0.00 WT2 H ATOM 31365 H2 TIP3 4644 45.882 38.589 33.943 1.00 0.00 WT2 H ATOM 31366 OH2 TIP3 4645 50.885 57.473 8.580 1.00 0.00 WT2 O ATOM 31367 H1 TIP3 4645 50.673 58.240 9.112 1.00 0.00 WT2 H ATOM 31368 H2 TIP3 4645 51.839 57.488 8.507 1.00 0.00 WT2 H ATOM 31369 OH2 TIP3 4647 46.022 26.660 45.842 1.00 0.00 WT2 O ATOM 31370 H1 TIP3 4647 46.487 27.476 46.027 1.00 0.00 WT2 H ATOM 31371 H2 TIP3 4647 45.525 26.843 45.045 1.00 0.00 WT2 H ATOM 31372 OH2 TIP3 4648 60.251 84.710 59.451 1.00 0.00 WT2 O ATOM 31373 H1 TIP3 4648 60.572 84.216 60.206 1.00 0.00 WT2 H ATOM 31374 H2 TIP3 4648 60.313 84.097 58.719 1.00 0.00 WT2 H ATOM 31375 OH2 TIP3 4661 37.091 50.287 26.089 1.00 0.00 WT2 O ATOM 31376 H1 TIP3 4661 37.471 49.486 26.448 1.00 0.00 WT2 H ATOM 31377 H2 TIP3 4661 37.670 50.985 26.394 1.00 0.00 WT2 H ATOM 31378 OH2 TIP3 4663 24.438 42.391 18.705 1.00 0.00 WT2 O ATOM 31379 H1 TIP3 4663 23.559 42.528 19.058 1.00 0.00 WT2 H ATOM 31380 H2 TIP3 4663 24.971 43.069 19.119 1.00 0.00 WT2 H ATOM 31381 OH2 TIP3 4664 71.177 44.971 37.256 1.00 0.00 WT2 O ATOM 31382 H1 TIP3 4664 70.264 45.105 37.513 1.00 0.00 WT2 H ATOM 31383 H2 TIP3 4664 71.287 45.512 36.474 1.00 0.00 WT2 H ATOM 31384 OH2 TIP3 4665 60.947 30.717 -7.440 1.00 0.00 WT2 O ATOM 31385 H1 TIP3 4665 60.054 30.977 -7.666 1.00 0.00 WT2 H ATOM 31386 H2 TIP3 4665 61.058 29.859 -7.850 1.00 0.00 WT2 H ATOM 31387 OH2 TIP3 4666 75.432 37.465 -3.757 1.00 0.00 WT2 O ATOM 31388 H1 TIP3 4666 75.202 36.597 -3.427 1.00 0.00 WT2 H ATOM 31389 H2 TIP3 4666 76.378 37.529 -3.623 1.00 0.00 WT2 H ATOM 31390 OH2 TIP3 4667 39.825 38.806 -15.281 1.00 0.00 WT2 O ATOM 31391 H1 TIP3 4667 40.513 39.461 -15.164 1.00 0.00 WT2 H ATOM 31392 H2 TIP3 4667 39.810 38.324 -14.454 1.00 0.00 WT2 H ATOM 31393 OH2 TIP3 4668 58.706 94.921 11.829 1.00 0.00 WT2 O ATOM 31394 H1 TIP3 4668 58.360 94.816 12.715 1.00 0.00 WT2 H ATOM 31395 H2 TIP3 4668 59.263 95.698 11.879 1.00 0.00 WT2 H ATOM 31396 OH2 TIP3 4670 81.102 80.987 51.002 1.00 0.00 WT2 O ATOM 31397 H1 TIP3 4670 82.046 81.122 50.923 1.00 0.00 WT2 H ATOM 31398 H2 TIP3 4670 80.880 80.409 50.271 1.00 0.00 WT2 H ATOM 31399 OH2 TIP3 4673 65.212 40.633 40.993 1.00 0.00 WT2 O ATOM 31400 H1 TIP3 4673 64.702 41.208 40.423 1.00 0.00 WT2 H ATOM 31401 H2 TIP3 4673 65.413 39.871 40.449 1.00 0.00 WT2 H ATOM 31402 OH2 TIP3 4675 65.255 46.756 60.423 1.00 0.00 WT2 O ATOM 31403 H1 TIP3 4675 64.632 47.432 60.155 1.00 0.00 WT2 H ATOM 31404 H2 TIP3 4675 65.908 46.740 59.723 1.00 0.00 WT2 H ATOM 31405 OH2 TIP3 4685 55.377 8.441 50.887 1.00 0.00 WT2 O ATOM 31406 H1 TIP3 4685 55.369 8.650 51.821 1.00 0.00 WT2 H ATOM 31407 H2 TIP3 4685 56.050 9.013 50.518 1.00 0.00 WT2 H ATOM 31408 OH2 TIP3 4686 81.806 47.750 5.858 1.00 0.00 WT2 O ATOM 31409 H1 TIP3 4686 81.541 48.645 5.647 1.00 0.00 WT2 H ATOM 31410 H2 TIP3 4686 80.989 47.303 6.078 1.00 0.00 WT2 H ATOM 31411 OH2 TIP3 4687 65.974 8.977 -4.516 1.00 0.00 WT2 O ATOM 31412 H1 TIP3 4687 66.889 8.883 -4.782 1.00 0.00 WT2 H ATOM 31413 H2 TIP3 4687 65.792 9.912 -4.608 1.00 0.00 WT2 H ATOM 31414 OH2 TIP3 4690 87.994 92.834 7.681 1.00 0.00 WT2 O ATOM 31415 H1 TIP3 4690 88.646 92.154 7.510 1.00 0.00 WT2 H ATOM 31416 H2 TIP3 4690 87.683 92.650 8.567 1.00 0.00 WT2 H ATOM 31417 OH2 TIP3 4694 21.911 22.097 0.311 1.00 0.00 WT2 O ATOM 31418 H1 TIP3 4694 22.766 22.515 0.411 1.00 0.00 WT2 H ATOM 31419 H2 TIP3 4694 21.344 22.560 0.929 1.00 0.00 WT2 H ATOM 31420 OH2 TIP3 4704 55.146 63.657 20.498 1.00 0.00 WT2 O ATOM 31421 H1 TIP3 4704 55.196 62.746 20.208 1.00 0.00 WT2 H ATOM 31422 H2 TIP3 4704 55.875 64.090 20.052 1.00 0.00 WT2 H ATOM 31423 OH2 TIP3 4706 54.990 10.114 -16.452 1.00 0.00 WT2 O ATOM 31424 H1 TIP3 4706 54.236 9.786 -16.942 1.00 0.00 WT2 H ATOM 31425 H2 TIP3 4706 55.568 9.355 -16.367 1.00 0.00 WT2 H ATOM 31426 OH2 TIP3 4707 69.280 43.444 48.774 1.00 0.00 WT2 O ATOM 31427 H1 TIP3 4707 69.725 42.733 48.312 1.00 0.00 WT2 H ATOM 31428 H2 TIP3 4707 68.464 43.572 48.290 1.00 0.00 WT2 H ATOM 31429 OH2 TIP3 4708 86.699 45.404 -17.309 1.00 0.00 WT2 O ATOM 31430 H1 TIP3 4708 87.304 44.671 -17.427 1.00 0.00 WT2 H ATOM 31431 H2 TIP3 4708 86.348 45.569 -18.184 1.00 0.00 WT2 H ATOM 31432 OH2 TIP3 4710 23.763 94.194 66.545 1.00 0.00 WT2 O ATOM 31433 H1 TIP3 4710 23.566 93.311 66.858 1.00 0.00 WT2 H ATOM 31434 H2 TIP3 4710 22.958 94.482 66.115 1.00 0.00 WT2 H ATOM 31435 OH2 TIP3 4713 58.288 47.893 40.856 1.00 0.00 WT2 O ATOM 31436 H1 TIP3 4713 59.089 48.249 40.471 1.00 0.00 WT2 H ATOM 31437 H2 TIP3 4713 57.677 48.630 40.863 1.00 0.00 WT2 H ATOM 31438 OH2 TIP3 4725 21.393 67.647 -8.684 1.00 0.00 WT2 O ATOM 31439 H1 TIP3 4725 21.711 67.202 -9.470 1.00 0.00 WT2 H ATOM 31440 H2 TIP3 4725 22.162 68.098 -8.337 1.00 0.00 WT2 H ATOM 31441 OH2 TIP3 4727 72.948 51.810 -6.906 1.00 0.00 WT2 O ATOM 31442 H1 TIP3 4727 73.842 51.845 -6.566 1.00 0.00 WT2 H ATOM 31443 H2 TIP3 4727 72.625 52.707 -6.825 1.00 0.00 WT2 H ATOM 31444 OH2 TIP3 4732 25.537 45.380 -13.247 1.00 0.00 WT2 O ATOM 31445 H1 TIP3 4732 25.480 45.911 -14.042 1.00 0.00 WT2 H ATOM 31446 H2 TIP3 4732 24.631 45.291 -12.952 1.00 0.00 WT2 H ATOM 31447 OH2 TIP3 4748 68.983 55.857 11.357 1.00 0.00 WT2 O ATOM 31448 H1 TIP3 4748 68.148 56.046 11.783 1.00 0.00 WT2 H ATOM 31449 H2 TIP3 4748 69.335 55.109 11.839 1.00 0.00 WT2 H ATOM 31450 OH2 TIP3 4750 40.723 56.129 64.435 1.00 0.00 WT2 O ATOM 31451 H1 TIP3 4750 40.895 57.015 64.115 1.00 0.00 WT2 H ATOM 31452 H2 TIP3 4750 39.770 56.084 64.514 1.00 0.00 WT2 H ATOM 31453 OH2 TIP3 4751 40.915 53.563 31.127 1.00 0.00 WT2 O ATOM 31454 H1 TIP3 4751 40.607 53.745 32.015 1.00 0.00 WT2 H ATOM 31455 H2 TIP3 4751 41.863 53.689 31.172 1.00 0.00 WT2 H ATOM 31456 OH2 TIP3 4767 23.294 59.226 2.255 1.00 0.00 WT2 O ATOM 31457 H1 TIP3 4767 23.939 58.741 1.740 1.00 0.00 WT2 H ATOM 31458 H2 TIP3 4767 23.403 58.898 3.147 1.00 0.00 WT2 H ATOM 31459 OH2 TIP3 4768 57.559 75.081 58.234 1.00 0.00 WT2 O ATOM 31460 H1 TIP3 4768 56.902 75.697 57.910 1.00 0.00 WT2 H ATOM 31461 H2 TIP3 4768 57.125 74.624 58.954 1.00 0.00 WT2 H ATOM 31462 OH2 TIP3 4770 44.311 14.964 2.704 1.00 0.00 WT2 O ATOM 31463 H1 TIP3 4770 43.396 15.002 2.983 1.00 0.00 WT2 H ATOM 31464 H2 TIP3 4770 44.753 15.622 3.241 1.00 0.00 WT2 H ATOM 31465 OH2 TIP3 4774 51.831 56.010 48.156 1.00 0.00 WT2 O ATOM 31466 H1 TIP3 4774 51.188 56.630 47.811 1.00 0.00 WT2 H ATOM 31467 H2 TIP3 4774 51.981 55.395 47.439 1.00 0.00 WT2 H ATOM 31468 OH2 TIP3 4787 29.374 28.412 50.683 1.00 0.00 WT2 O ATOM 31469 H1 TIP3 4787 29.391 27.789 49.957 1.00 0.00 WT2 H ATOM 31470 H2 TIP3 4787 28.446 28.499 50.903 1.00 0.00 WT2 H ATOM 31471 OH2 TIP3 4790 86.505 84.343 45.958 1.00 0.00 WT2 O ATOM 31472 H1 TIP3 4790 85.956 83.794 45.398 1.00 0.00 WT2 H ATOM 31473 H2 TIP3 4790 87.401 84.099 45.728 1.00 0.00 WT2 H ATOM 31474 OH2 TIP3 4791 34.977 4.275 54.906 1.00 0.00 WT2 O ATOM 31475 H1 TIP3 4791 35.243 4.604 55.765 1.00 0.00 WT2 H ATOM 31476 H2 TIP3 4791 34.840 5.063 54.380 1.00 0.00 WT2 H ATOM 31477 OH2 TIP3 4792 49.450 66.148 -13.575 1.00 0.00 WT2 O ATOM 31478 H1 TIP3 4792 49.566 65.436 -12.946 1.00 0.00 WT2 H ATOM 31479 H2 TIP3 4792 48.505 66.292 -13.604 1.00 0.00 WT2 H ATOM 31480 OH2 TIP3 4793 22.929 83.676 58.179 1.00 0.00 WT2 O ATOM 31481 H1 TIP3 4793 22.521 83.876 59.022 1.00 0.00 WT2 H ATOM 31482 H2 TIP3 4793 22.661 82.777 57.990 1.00 0.00 WT2 H ATOM 31483 OH2 TIP3 4794 61.898 26.109 44.917 1.00 0.00 WT2 O ATOM 31484 H1 TIP3 4794 62.190 25.275 44.548 1.00 0.00 WT2 H ATOM 31485 H2 TIP3 4794 61.035 26.255 44.528 1.00 0.00 WT2 H ATOM 31486 OH2 TIP3 4808 46.263 48.993 45.151 1.00 0.00 WT2 O ATOM 31487 H1 TIP3 4808 46.927 48.353 44.897 1.00 0.00 WT2 H ATOM 31488 H2 TIP3 4808 46.563 49.816 44.764 1.00 0.00 WT2 H ATOM 31489 OH2 TIP3 4809 51.037 66.347 49.596 1.00 0.00 WT2 O ATOM 31490 H1 TIP3 4809 50.190 66.690 49.309 1.00 0.00 WT2 H ATOM 31491 H2 TIP3 4809 50.892 65.406 49.695 1.00 0.00 WT2 H ATOM 31492 OH2 TIP3 4811 42.782 69.271 -10.365 1.00 0.00 WT2 O ATOM 31493 H1 TIP3 4811 42.403 69.147 -11.235 1.00 0.00 WT2 H ATOM 31494 H2 TIP3 4811 42.075 69.658 -9.848 1.00 0.00 WT2 H ATOM 31495 OH2 TIP3 4813 34.148 90.800 57.367 1.00 0.00 WT2 O ATOM 31496 H1 TIP3 4813 33.436 90.161 57.345 1.00 0.00 WT2 H ATOM 31497 H2 TIP3 4813 34.945 90.273 57.298 1.00 0.00 WT2 H ATOM 31498 OH2 TIP3 4816 80.836 40.719 6.291 1.00 0.00 WT2 O ATOM 31499 H1 TIP3 4816 80.604 41.565 6.676 1.00 0.00 WT2 H ATOM 31500 H2 TIP3 4816 81.159 40.934 5.416 1.00 0.00 WT2 H ATOM 31501 OH2 TIP3 4832 75.093 63.566 59.846 1.00 0.00 WT2 O ATOM 31502 H1 TIP3 4832 75.273 64.164 60.572 1.00 0.00 WT2 H ATOM 31503 H2 TIP3 4832 74.293 63.907 59.446 1.00 0.00 WT2 H ATOM 31504 OH2 TIP3 4834 48.492 20.514 29.885 1.00 0.00 WT2 O ATOM 31505 H1 TIP3 4834 47.751 21.118 29.828 1.00 0.00 WT2 H ATOM 31506 H2 TIP3 4834 48.531 20.100 29.023 1.00 0.00 WT2 H ATOM 31507 OH2 TIP3 4835 26.532 7.589 -5.550 1.00 0.00 WT2 O ATOM 31508 H1 TIP3 4835 26.180 8.463 -5.381 1.00 0.00 WT2 H ATOM 31509 H2 TIP3 4835 26.003 7.253 -6.274 1.00 0.00 WT2 H ATOM 31510 OH2 TIP3 4836 25.657 91.097 14.112 1.00 0.00 WT2 O ATOM 31511 H1 TIP3 4836 25.923 90.518 13.398 1.00 0.00 WT2 H ATOM 31512 H2 TIP3 4836 24.824 90.736 14.417 1.00 0.00 WT2 H ATOM 31513 OH2 TIP3 4839 39.867 19.089 53.434 1.00 0.00 WT2 O ATOM 31514 H1 TIP3 4839 40.070 19.849 52.888 1.00 0.00 WT2 H ATOM 31515 H2 TIP3 4839 38.910 19.055 53.450 1.00 0.00 WT2 H ATOM 31516 OH2 TIP3 4841 73.206 55.949 49.856 1.00 0.00 WT2 O ATOM 31517 H1 TIP3 4841 72.656 55.898 49.074 1.00 0.00 WT2 H ATOM 31518 H2 TIP3 4841 72.907 55.225 50.407 1.00 0.00 WT2 H ATOM 31519 OH2 TIP3 4849 20.381 7.865 35.360 1.00 0.00 WT2 O ATOM 31520 H1 TIP3 4849 20.920 8.612 35.100 1.00 0.00 WT2 H ATOM 31521 H2 TIP3 4849 20.733 7.600 36.210 1.00 0.00 WT2 H ATOM 31522 OH2 TIP3 4851 31.677 31.607 35.411 1.00 0.00 WT2 O ATOM 31523 H1 TIP3 4851 32.083 30.766 35.201 1.00 0.00 WT2 H ATOM 31524 H2 TIP3 4851 32.043 31.845 36.262 1.00 0.00 WT2 H ATOM 31525 OH2 TIP3 4853 48.970 1.719 54.981 1.00 0.00 WT2 O ATOM 31526 H1 TIP3 4853 48.988 1.732 55.938 1.00 0.00 WT2 H ATOM 31527 H2 TIP3 4853 48.989 0.789 54.753 1.00 0.00 WT2 H ATOM 31528 OH2 TIP3 4854 55.237 93.989 34.493 1.00 0.00 WT2 O ATOM 31529 H1 TIP3 4854 54.561 94.063 33.820 1.00 0.00 WT2 H ATOM 31530 H2 TIP3 4854 54.951 93.259 35.042 1.00 0.00 WT2 H ATOM 31531 OH2 TIP3 4855 21.021 81.414 -12.103 1.00 0.00 WT2 O ATOM 31532 H1 TIP3 4855 21.418 80.692 -11.616 1.00 0.00 WT2 H ATOM 31533 H2 TIP3 4855 20.927 81.080 -12.995 1.00 0.00 WT2 H ATOM 31534 OH2 TIP3 4857 66.775 1.155 49.387 1.00 0.00 WT2 O ATOM 31535 H1 TIP3 4857 66.440 0.282 49.181 1.00 0.00 WT2 H ATOM 31536 H2 TIP3 4857 66.002 1.653 49.652 1.00 0.00 WT2 H ATOM 31537 OH2 TIP3 4859 36.010 33.814 -9.741 1.00 0.00 WT2 O ATOM 31538 H1 TIP3 4859 36.406 33.044 -9.334 1.00 0.00 WT2 H ATOM 31539 H2 TIP3 4859 35.986 34.469 -9.043 1.00 0.00 WT2 H ATOM 31540 OH2 TIP3 4863 82.352 2.723 63.298 1.00 0.00 WT2 O ATOM 31541 H1 TIP3 4863 82.358 3.000 64.214 1.00 0.00 WT2 H ATOM 31542 H2 TIP3 4863 81.793 3.363 62.857 1.00 0.00 WT2 H ATOM 31543 OH2 TIP3 4872 33.032 20.038 -17.786 1.00 0.00 WT2 O ATOM 31544 H1 TIP3 4872 33.188 19.264 -17.244 1.00 0.00 WT2 H ATOM 31545 H2 TIP3 4872 32.353 20.525 -17.319 1.00 0.00 WT2 H ATOM 31546 OH2 TIP3 4875 44.489 90.666 -12.094 1.00 0.00 WT2 O ATOM 31547 H1 TIP3 4875 44.905 91.243 -11.454 1.00 0.00 WT2 H ATOM 31548 H2 TIP3 4875 44.085 89.976 -11.568 1.00 0.00 WT2 H ATOM 31549 OH2 TIP3 4876 82.632 93.428 -7.365 1.00 0.00 WT2 O ATOM 31550 H1 TIP3 4876 81.863 92.885 -7.540 1.00 0.00 WT2 H ATOM 31551 H2 TIP3 4876 82.551 93.667 -6.442 1.00 0.00 WT2 H ATOM 31552 OH2 TIP3 4877 72.407 79.133 -12.561 1.00 0.00 WT2 O ATOM 31553 H1 TIP3 4877 71.957 79.515 -13.315 1.00 0.00 WT2 H ATOM 31554 H2 TIP3 4877 71.707 78.750 -12.032 1.00 0.00 WT2 H ATOM 31555 OH2 TIP3 4879 87.563 37.700 51.326 1.00 0.00 WT2 O ATOM 31556 H1 TIP3 4879 87.268 38.565 51.042 1.00 0.00 WT2 H ATOM 31557 H2 TIP3 4879 86.776 37.280 51.672 1.00 0.00 WT2 H ATOM 31558 OH2 TIP3 4890 85.343 44.517 59.160 1.00 0.00 WT2 O ATOM 31559 H1 TIP3 4890 85.616 43.670 58.807 1.00 0.00 WT2 H ATOM 31560 H2 TIP3 4890 84.448 44.633 58.842 1.00 0.00 WT2 H ATOM 31561 OH2 TIP3 4896 41.348 86.276 -1.597 1.00 0.00 WT2 O ATOM 31562 H1 TIP3 4896 42.292 86.141 -1.678 1.00 0.00 WT2 H ATOM 31563 H2 TIP3 4896 41.199 86.371 -0.657 1.00 0.00 WT2 H ATOM 31564 OH2 TIP3 4897 75.033 31.092 14.988 1.00 0.00 WT2 O ATOM 31565 H1 TIP3 4897 74.169 30.683 15.033 1.00 0.00 WT2 H ATOM 31566 H2 TIP3 4897 74.852 32.031 14.936 1.00 0.00 WT2 H ATOM 31567 OH2 TIP3 4898 67.857 43.155 40.888 1.00 0.00 WT2 O ATOM 31568 H1 TIP3 4898 66.997 43.557 41.011 1.00 0.00 WT2 H ATOM 31569 H2 TIP3 4898 68.429 43.620 41.500 1.00 0.00 WT2 H ATOM 31570 OH2 TIP3 4899 42.834 79.489 42.651 1.00 0.00 WT2 O ATOM 31571 H1 TIP3 4899 42.860 79.586 41.699 1.00 0.00 WT2 H ATOM 31572 H2 TIP3 4899 42.667 78.558 42.793 1.00 0.00 WT2 H ATOM 31573 OH2 TIP3 4904 36.352 23.827 -10.710 1.00 0.00 WT2 O ATOM 31574 H1 TIP3 4904 37.186 23.787 -11.179 1.00 0.00 WT2 H ATOM 31575 H2 TIP3 4904 35.689 23.835 -11.400 1.00 0.00 WT2 H ATOM 31576 OH2 TIP3 4914 22.915 77.801 20.288 1.00 0.00 WT2 O ATOM 31577 H1 TIP3 4914 23.494 77.429 20.953 1.00 0.00 WT2 H ATOM 31578 H2 TIP3 4914 22.202 77.167 20.210 1.00 0.00 WT2 H ATOM 31579 OH2 TIP3 4915 24.366 10.702 66.362 1.00 0.00 WT2 O ATOM 31580 H1 TIP3 4915 24.795 9.916 66.023 1.00 0.00 WT2 H ATOM 31581 H2 TIP3 4915 24.479 11.355 65.671 1.00 0.00 WT2 H ATOM 31582 OH2 TIP3 4916 60.587 47.958 45.325 1.00 0.00 WT2 O ATOM 31583 H1 TIP3 4916 60.178 47.791 46.174 1.00 0.00 WT2 H ATOM 31584 H2 TIP3 4916 59.856 48.155 44.740 1.00 0.00 WT2 H ATOM 31585 OH2 TIP3 4918 74.066 56.452 34.780 1.00 0.00 WT2 O ATOM 31586 H1 TIP3 4918 74.136 56.953 35.593 1.00 0.00 WT2 H ATOM 31587 H2 TIP3 4918 73.366 56.885 34.291 1.00 0.00 WT2 H ATOM 31588 OH2 TIP3 4919 41.368 26.786 49.677 1.00 0.00 WT2 O ATOM 31589 H1 TIP3 4919 41.486 26.062 49.061 1.00 0.00 WT2 H ATOM 31590 H2 TIP3 4919 42.257 27.029 49.935 1.00 0.00 WT2 H ATOM 31591 OH2 TIP3 4921 25.843 79.194 9.025 1.00 0.00 WT2 O ATOM 31592 H1 TIP3 4921 26.726 78.968 9.319 1.00 0.00 WT2 H ATOM 31593 H2 TIP3 4921 25.576 79.913 9.597 1.00 0.00 WT2 H ATOM 31594 OH2 TIP3 4922 75.116 56.499 -12.156 1.00 0.00 WT2 O ATOM 31595 H1 TIP3 4922 74.285 56.542 -11.683 1.00 0.00 WT2 H ATOM 31596 H2 TIP3 4922 75.259 57.391 -12.471 1.00 0.00 WT2 H ATOM 31597 OH2 TIP3 4924 47.247 3.770 1.907 1.00 0.00 WT2 O ATOM 31598 H1 TIP3 4924 47.291 3.435 1.011 1.00 0.00 WT2 H ATOM 31599 H2 TIP3 4924 46.423 3.425 2.251 1.00 0.00 WT2 H ATOM 31600 OH2 TIP3 4934 87.407 41.337 62.538 1.00 0.00 WT2 O ATOM 31601 H1 TIP3 4934 87.791 40.466 62.441 1.00 0.00 WT2 H ATOM 31602 H2 TIP3 4934 87.269 41.639 61.640 1.00 0.00 WT2 H ATOM 31603 OH2 TIP3 4935 28.025 47.134 -2.933 1.00 0.00 WT2 O ATOM 31604 H1 TIP3 4935 27.320 47.689 -2.598 1.00 0.00 WT2 H ATOM 31605 H2 TIP3 4935 27.816 46.258 -2.608 1.00 0.00 WT2 H ATOM 31606 OH2 TIP3 4936 39.809 94.685 -12.330 1.00 0.00 WT2 O ATOM 31607 H1 TIP3 4936 39.897 93.981 -12.973 1.00 0.00 WT2 H ATOM 31608 H2 TIP3 4936 40.536 94.546 -11.722 1.00 0.00 WT2 H ATOM 31609 OH2 TIP3 4937 57.905 28.620 -14.893 1.00 0.00 WT2 O ATOM 31610 H1 TIP3 4937 57.301 27.925 -14.629 1.00 0.00 WT2 H ATOM 31611 H2 TIP3 4937 58.148 29.050 -14.073 1.00 0.00 WT2 H ATOM 31612 OH2 TIP3 4939 56.246 15.584 31.461 1.00 0.00 WT2 O ATOM 31613 H1 TIP3 4939 56.281 14.764 31.954 1.00 0.00 WT2 H ATOM 31614 H2 TIP3 4939 55.311 15.745 31.330 1.00 0.00 WT2 H ATOM 31615 OH2 TIP3 4942 35.932 83.271 53.425 1.00 0.00 WT2 O ATOM 31616 H1 TIP3 4942 36.029 84.012 52.826 1.00 0.00 WT2 H ATOM 31617 H2 TIP3 4942 35.031 83.335 53.741 1.00 0.00 WT2 H ATOM 31618 OH2 TIP3 4956 52.320 89.836 56.658 1.00 0.00 WT2 O ATOM 31619 H1 TIP3 4956 53.263 90.001 56.663 1.00 0.00 WT2 H ATOM 31620 H2 TIP3 4956 52.180 89.267 55.902 1.00 0.00 WT2 H ATOM 31621 OH2 TIP3 4957 36.403 53.822 63.597 1.00 0.00 WT2 O ATOM 31622 H1 TIP3 4957 35.736 54.311 64.079 1.00 0.00 WT2 H ATOM 31623 H2 TIP3 4957 36.348 54.158 62.703 1.00 0.00 WT2 H ATOM 31624 OH2 TIP3 4962 85.816 48.220 42.077 1.00 0.00 WT2 O ATOM 31625 H1 TIP3 4962 85.042 48.331 42.629 1.00 0.00 WT2 H ATOM 31626 H2 TIP3 4962 85.932 47.272 42.013 1.00 0.00 WT2 H ATOM 31627 OH2 TIP3 4963 57.971 54.609 50.620 1.00 0.00 WT2 O ATOM 31628 H1 TIP3 4963 58.433 55.398 50.338 1.00 0.00 WT2 H ATOM 31629 H2 TIP3 4963 57.059 54.763 50.376 1.00 0.00 WT2 H ATOM 31630 OH2 TIP3 4965 40.444 21.536 37.349 1.00 0.00 WT2 O ATOM 31631 H1 TIP3 4965 40.476 22.042 36.536 1.00 0.00 WT2 H ATOM 31632 H2 TIP3 4965 39.756 20.888 37.201 1.00 0.00 WT2 H ATOM 31633 OH2 TIP3 4978 53.764 28.687 -18.942 1.00 0.00 WT2 O ATOM 31634 H1 TIP3 4978 53.532 28.408 -19.828 1.00 0.00 WT2 H ATOM 31635 H2 TIP3 4978 52.995 28.473 -18.414 1.00 0.00 WT2 H ATOM 31636 OH2 TIP3 4980 80.871 27.324 -11.972 1.00 0.00 WT2 O ATOM 31637 H1 TIP3 4980 81.618 26.943 -11.512 1.00 0.00 WT2 H ATOM 31638 H2 TIP3 4980 80.706 28.151 -11.518 1.00 0.00 WT2 H ATOM 31639 OH2 TIP3 4981 48.031 88.702 -11.603 1.00 0.00 WT2 O ATOM 31640 H1 TIP3 4981 47.869 89.209 -12.399 1.00 0.00 WT2 H ATOM 31641 H2 TIP3 4981 47.186 88.301 -11.398 1.00 0.00 WT2 H ATOM 31642 OH2 TIP3 4982 45.482 63.712 8.832 1.00 0.00 WT2 O ATOM 31643 H1 TIP3 4982 45.644 64.237 9.616 1.00 0.00 WT2 H ATOM 31644 H2 TIP3 4982 46.312 63.729 8.356 1.00 0.00 WT2 H ATOM 31645 OH2 TIP3 4983 74.870 28.601 48.760 1.00 0.00 WT2 O ATOM 31646 H1 TIP3 4983 75.147 29.494 48.557 1.00 0.00 WT2 H ATOM 31647 H2 TIP3 4983 74.027 28.504 48.318 1.00 0.00 WT2 H ATOM 31648 OH2 TIP3 4985 50.191 21.695 34.017 1.00 0.00 WT2 O ATOM 31649 H1 TIP3 4985 50.650 20.860 33.922 1.00 0.00 WT2 H ATOM 31650 H2 TIP3 4985 49.731 21.812 33.186 1.00 0.00 WT2 H ATOM 31651 OH2 TIP3 4996 45.094 86.745 -5.903 1.00 0.00 WT2 O ATOM 31652 H1 TIP3 4996 44.423 86.764 -5.220 1.00 0.00 WT2 H ATOM 31653 H2 TIP3 4996 45.120 85.832 -6.188 1.00 0.00 WT2 H ATOM 31654 OH2 TIP3 4998 62.368 8.403 57.723 1.00 0.00 WT2 O ATOM 31655 H1 TIP3 4998 62.349 9.342 57.907 1.00 0.00 WT2 H ATOM 31656 H2 TIP3 4998 61.902 8.004 58.458 1.00 0.00 WT2 H ATOM 31657 OH2 TIP3 4999 42.995 57.659 -17.434 1.00 0.00 WT2 O ATOM 31658 H1 TIP3 4999 43.635 58.297 -17.118 1.00 0.00 WT2 H ATOM 31659 H2 TIP3 4999 43.205 57.547 -18.361 1.00 0.00 WT2 H ATOM 31660 OH2 TIP3 5000 48.592 41.878 -15.327 1.00 0.00 WT2 O ATOM 31661 H1 TIP3 5000 48.423 41.125 -15.893 1.00 0.00 WT2 H ATOM 31662 H2 TIP3 5000 47.882 42.489 -15.523 1.00 0.00 WT2 H ATOM 31663 OH2 TIP3 5001 34.878 68.251 19.544 1.00 0.00 WT2 O ATOM 31664 H1 TIP3 5001 35.504 68.425 18.841 1.00 0.00 WT2 H ATOM 31665 H2 TIP3 5001 35.368 67.732 20.181 1.00 0.00 WT2 H ATOM 31666 OH2 TIP3 5002 69.213 21.318 -11.335 1.00 0.00 WT2 O ATOM 31667 H1 TIP3 5002 69.999 21.007 -11.784 1.00 0.00 WT2 H ATOM 31668 H2 TIP3 5002 69.307 22.270 -11.318 1.00 0.00 WT2 H ATOM 31669 OH2 TIP3 5004 74.291 38.143 35.035 1.00 0.00 WT2 O ATOM 31670 H1 TIP3 5004 74.373 38.578 35.884 1.00 0.00 WT2 H ATOM 31671 H2 TIP3 5004 73.609 38.637 34.579 1.00 0.00 WT2 H ATOM 31672 OH2 TIP3 5005 22.460 28.787 11.639 1.00 0.00 WT2 O ATOM 31673 H1 TIP3 5005 21.640 28.382 11.923 1.00 0.00 WT2 H ATOM 31674 H2 TIP3 5005 22.541 29.570 12.183 1.00 0.00 WT2 H ATOM 31675 OH2 TIP3 5019 66.230 12.663 35.031 1.00 0.00 WT2 O ATOM 31676 H1 TIP3 5019 66.502 12.395 34.153 1.00 0.00 WT2 H ATOM 31677 H2 TIP3 5019 65.657 13.416 34.885 1.00 0.00 WT2 H ATOM 31678 OH2 TIP3 5021 54.695 18.619 45.990 1.00 0.00 WT2 O ATOM 31679 H1 TIP3 5021 55.370 19.259 45.767 1.00 0.00 WT2 H ATOM 31680 H2 TIP3 5021 55.072 17.775 45.742 1.00 0.00 WT2 H ATOM 31681 OH2 TIP3 5023 27.083 42.069 47.104 1.00 0.00 WT2 O ATOM 31682 H1 TIP3 5023 27.209 42.958 47.437 1.00 0.00 WT2 H ATOM 31683 H2 TIP3 5023 26.377 42.151 46.463 1.00 0.00 WT2 H ATOM 31684 OH2 TIP3 5025 65.330 9.787 -8.300 1.00 0.00 WT2 O ATOM 31685 H1 TIP3 5025 65.571 10.699 -8.465 1.00 0.00 WT2 H ATOM 31686 H2 TIP3 5025 64.585 9.628 -8.879 1.00 0.00 WT2 H ATOM 31687 OH2 TIP3 5040 80.622 10.277 55.759 1.00 0.00 WT2 O ATOM 31688 H1 TIP3 5040 79.732 10.299 55.406 1.00 0.00 WT2 H ATOM 31689 H2 TIP3 5040 80.764 11.157 56.107 1.00 0.00 WT2 H ATOM 31690 OH2 TIP3 5043 70.124 34.093 61.145 1.00 0.00 WT2 O ATOM 31691 H1 TIP3 5043 69.222 34.289 60.890 1.00 0.00 WT2 H ATOM 31692 H2 TIP3 5043 70.392 33.387 60.557 1.00 0.00 WT2 H ATOM 31693 OH2 TIP3 5044 28.659 7.728 40.963 1.00 0.00 WT2 O ATOM 31694 H1 TIP3 5044 27.853 7.728 41.479 1.00 0.00 WT2 H ATOM 31695 H2 TIP3 5044 29.279 8.237 41.486 1.00 0.00 WT2 H ATOM 31696 OH2 TIP3 5045 83.393 33.571 36.171 1.00 0.00 WT2 O ATOM 31697 H1 TIP3 5045 83.341 33.888 35.269 1.00 0.00 WT2 H ATOM 31698 H2 TIP3 5045 84.165 33.005 36.182 1.00 0.00 WT2 H ATOM 31699 OH2 TIP3 5049 31.767 26.989 -6.765 1.00 0.00 WT2 O ATOM 31700 H1 TIP3 5049 32.598 26.933 -6.295 1.00 0.00 WT2 H ATOM 31701 H2 TIP3 5049 31.833 27.797 -7.274 1.00 0.00 WT2 H ATOM 31702 OH2 TIP3 5060 70.694 40.217 28.661 1.00 0.00 WT2 O ATOM 31703 H1 TIP3 5060 71.323 39.540 28.409 1.00 0.00 WT2 H ATOM 31704 H2 TIP3 5060 70.124 40.312 27.898 1.00 0.00 WT2 H ATOM 31705 OH2 TIP3 5061 45.207 26.384 34.235 1.00 0.00 WT2 O ATOM 31706 H1 TIP3 5061 44.828 26.047 33.424 1.00 0.00 WT2 H ATOM 31707 H2 TIP3 5061 46.144 26.450 34.053 1.00 0.00 WT2 H ATOM 31708 OH2 TIP3 5062 28.424 56.107 64.936 1.00 0.00 WT2 O ATOM 31709 H1 TIP3 5062 28.726 56.908 65.363 1.00 0.00 WT2 H ATOM 31710 H2 TIP3 5062 27.664 56.380 64.423 1.00 0.00 WT2 H ATOM 31711 OH2 TIP3 5063 85.228 41.595 -0.192 1.00 0.00 WT2 O ATOM 31712 H1 TIP3 5063 85.230 42.261 -0.879 1.00 0.00 WT2 H ATOM 31713 H2 TIP3 5063 84.330 41.264 -0.180 1.00 0.00 WT2 H ATOM 31714 OH2 TIP3 5064 45.414 73.202 63.191 1.00 0.00 WT2 O ATOM 31715 H1 TIP3 5064 45.253 72.276 63.014 1.00 0.00 WT2 H ATOM 31716 H2 TIP3 5064 45.183 73.646 62.375 1.00 0.00 WT2 H ATOM 31717 OH2 TIP3 5067 31.895 9.021 39.292 1.00 0.00 WT2 O ATOM 31718 H1 TIP3 5067 31.789 8.520 40.100 1.00 0.00 WT2 H ATOM 31719 H2 TIP3 5067 31.960 9.932 39.581 1.00 0.00 WT2 H ATOM 31720 OH2 TIP3 5068 81.236 29.229 28.365 1.00 0.00 WT2 O ATOM 31721 H1 TIP3 5068 81.639 29.960 27.898 1.00 0.00 WT2 H ATOM 31722 H2 TIP3 5068 81.953 28.841 28.868 1.00 0.00 WT2 H ATOM 31723 OH2 TIP3 5069 90.579 26.818 15.904 1.00 0.00 WT2 O ATOM 31724 H1 TIP3 5069 90.827 25.979 15.515 1.00 0.00 WT2 H ATOM 31725 H2 TIP3 5069 89.664 26.939 15.649 1.00 0.00 WT2 H ATOM 31726 OH2 TIP3 5085 51.807 41.194 55.026 1.00 0.00 WT2 O ATOM 31727 H1 TIP3 5085 50.951 41.002 55.407 1.00 0.00 WT2 H ATOM 31728 H2 TIP3 5085 51.801 42.141 54.887 1.00 0.00 WT2 H ATOM 31729 OH2 TIP3 5088 22.519 66.535 34.654 1.00 0.00 WT2 O ATOM 31730 H1 TIP3 5088 23.338 66.737 35.107 1.00 0.00 WT2 H ATOM 31731 H2 TIP3 5088 22.774 66.416 33.739 1.00 0.00 WT2 H ATOM 31732 OH2 TIP3 5090 21.102 82.017 12.724 1.00 0.00 WT2 O ATOM 31733 H1 TIP3 5090 21.750 81.577 13.274 1.00 0.00 WT2 H ATOM 31734 H2 TIP3 5090 20.410 81.367 12.601 1.00 0.00 WT2 H ATOM 31735 OH2 TIP3 5091 57.809 47.643 65.443 1.00 0.00 WT2 O ATOM 31736 H1 TIP3 5091 58.399 48.161 65.990 1.00 0.00 WT2 H ATOM 31737 H2 TIP3 5091 56.989 48.136 65.441 1.00 0.00 WT2 H ATOM 31738 OH2 TIP3 5097 43.334 69.707 59.060 1.00 0.00 WT2 O ATOM 31739 H1 TIP3 5097 43.145 70.644 59.009 1.00 0.00 WT2 H ATOM 31740 H2 TIP3 5097 43.273 69.401 58.156 1.00 0.00 WT2 H ATOM 31741 OH2 TIP3 5104 29.333 15.689 41.623 1.00 0.00 WT2 O ATOM 31742 H1 TIP3 5104 28.469 15.327 41.821 1.00 0.00 WT2 H ATOM 31743 H2 TIP3 5104 29.549 16.226 42.385 1.00 0.00 WT2 H ATOM 31744 OH2 TIP3 5106 33.907 38.239 62.193 1.00 0.00 WT2 O ATOM 31745 H1 TIP3 5106 34.136 37.364 61.879 1.00 0.00 WT2 H ATOM 31746 H2 TIP3 5106 34.349 38.313 63.039 1.00 0.00 WT2 H ATOM 31747 OH2 TIP3 5108 19.856 12.253 -18.985 1.00 0.00 WT2 O ATOM 31748 H1 TIP3 5108 20.263 11.479 -19.373 1.00 0.00 WT2 H ATOM 31749 H2 TIP3 5108 20.479 12.542 -18.318 1.00 0.00 WT2 H ATOM 31750 OH2 TIP3 5109 57.213 15.631 28.864 1.00 0.00 WT2 O ATOM 31751 H1 TIP3 5109 56.377 15.917 28.494 1.00 0.00 WT2 H ATOM 31752 H2 TIP3 5109 57.047 15.556 29.804 1.00 0.00 WT2 H ATOM 31753 OH2 TIP3 5110 43.892 14.909 30.986 1.00 0.00 WT2 O ATOM 31754 H1 TIP3 5110 43.154 15.472 30.754 1.00 0.00 WT2 H ATOM 31755 H2 TIP3 5110 44.638 15.287 30.521 1.00 0.00 WT2 H ATOM 31756 OH2 TIP3 5111 41.406 48.319 58.292 1.00 0.00 WT2 O ATOM 31757 H1 TIP3 5111 40.808 48.419 57.552 1.00 0.00 WT2 H ATOM 31758 H2 TIP3 5111 42.251 48.626 57.962 1.00 0.00 WT2 H ATOM 31759 OH2 TIP3 5126 52.350 1.775 24.788 1.00 0.00 WT2 O ATOM 31760 H1 TIP3 5126 51.761 2.261 24.211 1.00 0.00 WT2 H ATOM 31761 H2 TIP3 5126 52.317 0.876 24.462 1.00 0.00 WT2 H ATOM 31762 OH2 TIP3 5127 41.354 41.145 5.807 1.00 0.00 WT2 O ATOM 31763 H1 TIP3 5127 42.029 40.998 6.470 1.00 0.00 WT2 H ATOM 31764 H2 TIP3 5127 40.834 41.872 6.150 1.00 0.00 WT2 H ATOM 31765 OH2 TIP3 5128 82.583 13.522 59.269 1.00 0.00 WT2 O ATOM 31766 H1 TIP3 5128 82.566 14.275 58.679 1.00 0.00 WT2 H ATOM 31767 H2 TIP3 5128 83.340 13.677 59.835 1.00 0.00 WT2 H ATOM 31768 OH2 TIP3 5129 89.220 36.955 12.627 1.00 0.00 WT2 O ATOM 31769 H1 TIP3 5129 88.299 37.191 12.737 1.00 0.00 WT2 H ATOM 31770 H2 TIP3 5129 89.232 36.000 12.685 1.00 0.00 WT2 H ATOM 31771 OH2 TIP3 5130 23.385 34.397 58.483 1.00 0.00 WT2 O ATOM 31772 H1 TIP3 5130 23.977 34.997 58.937 1.00 0.00 WT2 H ATOM 31773 H2 TIP3 5130 23.213 34.820 57.642 1.00 0.00 WT2 H ATOM 31774 OH2 TIP3 5131 39.550 48.484 -1.678 1.00 0.00 WT2 O ATOM 31775 H1 TIP3 5131 40.398 48.047 -1.754 1.00 0.00 WT2 H ATOM 31776 H2 TIP3 5131 38.917 47.835 -1.984 1.00 0.00 WT2 H ATOM 31777 OH2 TIP3 5132 23.443 55.274 26.099 1.00 0.00 WT2 O ATOM 31778 H1 TIP3 5132 24.278 55.736 26.027 1.00 0.00 WT2 H ATOM 31779 H2 TIP3 5132 22.815 55.952 26.348 1.00 0.00 WT2 H ATOM 31780 OH2 TIP3 5133 50.946 68.458 -15.144 1.00 0.00 WT2 O ATOM 31781 H1 TIP3 5133 50.651 68.355 -14.239 1.00 0.00 WT2 H ATOM 31782 H2 TIP3 5133 51.844 68.126 -15.143 1.00 0.00 WT2 H ATOM 31783 OH2 TIP3 5134 24.536 20.226 5.072 1.00 0.00 WT2 O ATOM 31784 H1 TIP3 5134 24.586 19.531 4.415 1.00 0.00 WT2 H ATOM 31785 H2 TIP3 5134 25.216 20.849 4.815 1.00 0.00 WT2 H ATOM 31786 OH2 TIP3 5146 51.928 45.414 39.704 1.00 0.00 WT2 O ATOM 31787 H1 TIP3 5146 51.634 44.872 38.972 1.00 0.00 WT2 H ATOM 31788 H2 TIP3 5146 52.566 46.014 39.317 1.00 0.00 WT2 H ATOM 31789 OH2 TIP3 5148 61.946 59.598 64.623 1.00 0.00 WT2 O ATOM 31790 H1 TIP3 5148 61.529 58.758 64.815 1.00 0.00 WT2 H ATOM 31791 H2 TIP3 5148 61.218 60.210 64.518 1.00 0.00 WT2 H ATOM 31792 OH2 TIP3 5149 73.351 24.964 67.228 1.00 0.00 WT2 O ATOM 31793 H1 TIP3 5149 73.917 25.720 67.385 1.00 0.00 WT2 H ATOM 31794 H2 TIP3 5149 72.858 25.193 66.440 1.00 0.00 WT2 H ATOM 31795 OH2 TIP3 5151 34.717 7.113 46.299 1.00 0.00 WT2 O ATOM 31796 H1 TIP3 5151 34.575 7.572 45.471 1.00 0.00 WT2 H ATOM 31797 H2 TIP3 5151 34.586 6.189 46.086 1.00 0.00 WT2 H ATOM 31798 OH2 TIP3 5152 71.982 53.911 6.120 1.00 0.00 WT2 O ATOM 31799 H1 TIP3 5152 71.143 54.371 6.146 1.00 0.00 WT2 H ATOM 31800 H2 TIP3 5152 72.329 53.993 7.008 1.00 0.00 WT2 H ATOM 31801 OH2 TIP3 5156 47.359 96.277 46.260 1.00 0.00 WT2 O ATOM 31802 H1 TIP3 5156 47.608 95.352 46.271 1.00 0.00 WT2 H ATOM 31803 H2 TIP3 5156 48.191 96.749 46.223 1.00 0.00 WT2 H ATOM 31804 OH2 TIP3 5162 56.988 91.586 0.936 1.00 0.00 WT2 O ATOM 31805 H1 TIP3 5162 57.097 91.200 1.805 1.00 0.00 WT2 H ATOM 31806 H2 TIP3 5162 57.757 91.295 0.446 1.00 0.00 WT2 H ATOM 31807 OH2 TIP3 5164 39.064 21.149 -14.923 1.00 0.00 WT2 O ATOM 31808 H1 TIP3 5164 38.435 20.870 -14.258 1.00 0.00 WT2 H ATOM 31809 H2 TIP3 5164 38.964 22.101 -14.963 1.00 0.00 WT2 H ATOM 31810 OH2 TIP3 5165 77.323 30.923 32.558 1.00 0.00 WT2 O ATOM 31811 H1 TIP3 5165 78.145 30.810 32.081 1.00 0.00 WT2 H ATOM 31812 H2 TIP3 5165 77.473 30.494 33.400 1.00 0.00 WT2 H ATOM 31813 OH2 TIP3 5166 31.587 12.760 1.192 1.00 0.00 WT2 O ATOM 31814 H1 TIP3 5166 31.234 12.840 2.078 1.00 0.00 WT2 H ATOM 31815 H2 TIP3 5166 31.672 11.817 1.052 1.00 0.00 WT2 H ATOM 31816 OH2 TIP3 5172 52.777 35.047 51.397 1.00 0.00 WT2 O ATOM 31817 H1 TIP3 5172 52.215 35.736 51.750 1.00 0.00 WT2 H ATOM 31818 H2 TIP3 5172 52.309 34.726 50.626 1.00 0.00 WT2 H ATOM 31819 OH2 TIP3 5173 75.140 35.056 -2.654 1.00 0.00 WT2 O ATOM 31820 H1 TIP3 5173 74.582 34.285 -2.552 1.00 0.00 WT2 H ATOM 31821 H2 TIP3 5173 75.693 35.057 -1.873 1.00 0.00 WT2 H ATOM 31822 OH2 TIP3 5186 56.127 74.499 55.342 1.00 0.00 WT2 O ATOM 31823 H1 TIP3 5186 55.302 74.685 55.790 1.00 0.00 WT2 H ATOM 31824 H2 TIP3 5186 55.888 74.436 54.417 1.00 0.00 WT2 H ATOM 31825 OH2 TIP3 5189 62.992 46.873 3.020 1.00 0.00 WT2 O ATOM 31826 H1 TIP3 5189 62.645 46.787 3.907 1.00 0.00 WT2 H ATOM 31827 H2 TIP3 5189 63.101 45.972 2.716 1.00 0.00 WT2 H ATOM 31828 OH2 TIP3 5190 25.371 30.563 -10.667 1.00 0.00 WT2 O ATOM 31829 H1 TIP3 5190 25.045 29.673 -10.800 1.00 0.00 WT2 H ATOM 31830 H2 TIP3 5190 26.049 30.672 -11.334 1.00 0.00 WT2 H ATOM 31831 OH2 TIP3 5191 51.341 10.518 49.079 1.00 0.00 WT2 O ATOM 31832 H1 TIP3 5191 51.251 9.730 49.614 1.00 0.00 WT2 H ATOM 31833 H2 TIP3 5191 50.512 10.983 49.195 1.00 0.00 WT2 H ATOM 31834 OH2 TIP3 5193 29.594 55.288 -10.275 1.00 0.00 WT2 O ATOM 31835 H1 TIP3 5193 29.662 55.036 -9.354 1.00 0.00 WT2 H ATOM 31836 H2 TIP3 5193 30.405 54.971 -10.672 1.00 0.00 WT2 H ATOM 31837 OH2 TIP3 5194 88.491 40.918 -3.467 1.00 0.00 WT2 O ATOM 31838 H1 TIP3 5194 89.435 40.777 -3.392 1.00 0.00 WT2 H ATOM 31839 H2 TIP3 5194 88.284 40.679 -4.371 1.00 0.00 WT2 H ATOM 31840 OH2 TIP3 5206 43.176 44.009 54.578 1.00 0.00 WT2 O ATOM 31841 H1 TIP3 5206 43.290 44.116 53.634 1.00 0.00 WT2 H ATOM 31842 H2 TIP3 5206 44.057 44.112 54.939 1.00 0.00 WT2 H ATOM 31843 OH2 TIP3 5211 85.120 62.823 -4.733 1.00 0.00 WT2 O ATOM 31844 H1 TIP3 5211 85.844 62.428 -4.247 1.00 0.00 WT2 H ATOM 31845 H2 TIP3 5211 84.745 62.100 -5.236 1.00 0.00 WT2 H ATOM 31846 OH2 TIP3 5214 46.469 49.570 50.728 1.00 0.00 WT2 O ATOM 31847 H1 TIP3 5214 46.813 49.692 49.843 1.00 0.00 WT2 H ATOM 31848 H2 TIP3 5214 46.107 50.424 50.964 1.00 0.00 WT2 H ATOM 31849 OH2 TIP3 5216 86.329 44.941 48.633 1.00 0.00 WT2 O ATOM 31850 H1 TIP3 5216 86.235 44.198 49.230 1.00 0.00 WT2 H ATOM 31851 H2 TIP3 5216 86.435 45.699 49.207 1.00 0.00 WT2 H ATOM 31852 OH2 TIP3 5230 47.655 56.649 48.622 1.00 0.00 WT2 O ATOM 31853 H1 TIP3 5230 47.140 57.445 48.493 1.00 0.00 WT2 H ATOM 31854 H2 TIP3 5230 48.342 56.904 49.237 1.00 0.00 WT2 H ATOM 31855 OH2 TIP3 5231 72.666 25.056 -5.609 1.00 0.00 WT2 O ATOM 31856 H1 TIP3 5231 73.292 25.751 -5.407 1.00 0.00 WT2 H ATOM 31857 H2 TIP3 5231 72.993 24.666 -6.419 1.00 0.00 WT2 H ATOM 31858 OH2 TIP3 5232 75.309 53.527 -3.764 1.00 0.00 WT2 O ATOM 31859 H1 TIP3 5232 76.075 53.451 -3.194 1.00 0.00 WT2 H ATOM 31860 H2 TIP3 5232 74.791 52.745 -3.575 1.00 0.00 WT2 H ATOM 31861 OH2 TIP3 5234 50.661 15.215 -8.859 1.00 0.00 WT2 O ATOM 31862 H1 TIP3 5234 49.742 15.459 -8.752 1.00 0.00 WT2 H ATOM 31863 H2 TIP3 5234 51.016 15.219 -7.970 1.00 0.00 WT2 H ATOM 31864 OH2 TIP3 5235 79.247 72.623 38.233 1.00 0.00 WT2 O ATOM 31865 H1 TIP3 5235 80.098 72.825 37.843 1.00 0.00 WT2 H ATOM 31866 H2 TIP3 5235 78.611 73.023 37.640 1.00 0.00 WT2 H ATOM 31867 OH2 TIP3 5239 68.996 17.153 52.702 1.00 0.00 WT2 O ATOM 31868 H1 TIP3 5239 68.696 16.245 52.673 1.00 0.00 WT2 H ATOM 31869 H2 TIP3 5239 69.910 17.113 52.421 1.00 0.00 WT2 H ATOM 31870 OH2 TIP3 5241 60.284 57.442 65.560 1.00 0.00 WT2 O ATOM 31871 H1 TIP3 5241 59.770 57.136 64.813 1.00 0.00 WT2 H ATOM 31872 H2 TIP3 5241 59.659 57.476 66.284 1.00 0.00 WT2 H ATOM 31873 OH2 TIP3 5251 43.260 6.215 20.294 1.00 0.00 WT2 O ATOM 31874 H1 TIP3 5251 42.795 6.563 21.055 1.00 0.00 WT2 H ATOM 31875 H2 TIP3 5251 42.762 5.437 20.043 1.00 0.00 WT2 H ATOM 31876 OH2 TIP3 5253 89.717 87.170 17.708 1.00 0.00 WT2 O ATOM 31877 H1 TIP3 5253 89.768 87.826 18.403 1.00 0.00 WT2 H ATOM 31878 H2 TIP3 5253 90.197 86.417 18.052 1.00 0.00 WT2 H ATOM 31879 OH2 TIP3 5255 81.309 66.009 -12.093 1.00 0.00 WT2 O ATOM 31880 H1 TIP3 5255 80.826 66.533 -11.454 1.00 0.00 WT2 H ATOM 31881 H2 TIP3 5255 80.965 65.122 -11.985 1.00 0.00 WT2 H ATOM 31882 OH2 TIP3 5256 53.078 72.170 66.082 1.00 0.00 WT2 O ATOM 31883 H1 TIP3 5256 52.575 71.993 66.877 1.00 0.00 WT2 H ATOM 31884 H2 TIP3 5256 53.614 71.386 65.957 1.00 0.00 WT2 H ATOM 31885 OH2 TIP3 5259 46.774 90.722 -2.904 1.00 0.00 WT2 O ATOM 31886 H1 TIP3 5259 47.370 90.080 -3.289 1.00 0.00 WT2 H ATOM 31887 H2 TIP3 5259 46.523 90.342 -2.062 1.00 0.00 WT2 H ATOM 31888 OH2 TIP3 5260 59.821 6.159 6.943 1.00 0.00 WT2 O ATOM 31889 H1 TIP3 5260 58.914 6.163 7.250 1.00 0.00 WT2 H ATOM 31890 H2 TIP3 5260 59.815 6.724 6.170 1.00 0.00 WT2 H ATOM 31891 OH2 TIP3 5271 28.663 81.165 55.371 1.00 0.00 WT2 O ATOM 31892 H1 TIP3 5271 29.383 80.639 55.720 1.00 0.00 WT2 H ATOM 31893 H2 TIP3 5271 28.399 80.709 54.571 1.00 0.00 WT2 H ATOM 31894 OH2 TIP3 5272 42.428 14.820 27.800 1.00 0.00 WT2 O ATOM 31895 H1 TIP3 5272 42.705 14.480 26.949 1.00 0.00 WT2 H ATOM 31896 H2 TIP3 5272 42.893 14.277 28.437 1.00 0.00 WT2 H ATOM 31897 OH2 TIP3 5274 40.455 40.647 24.859 1.00 0.00 WT2 O ATOM 31898 H1 TIP3 5274 39.876 40.849 24.124 1.00 0.00 WT2 H ATOM 31899 H2 TIP3 5274 41.289 41.054 24.627 1.00 0.00 WT2 H ATOM 31900 OH2 TIP3 5277 90.424 24.251 45.410 1.00 0.00 WT2 O ATOM 31901 H1 TIP3 5277 89.757 24.803 45.001 1.00 0.00 WT2 H ATOM 31902 H2 TIP3 5277 90.420 23.446 44.892 1.00 0.00 WT2 H ATOM 31903 OH2 TIP3 5278 81.893 86.959 55.152 1.00 0.00 WT2 O ATOM 31904 H1 TIP3 5278 82.687 86.539 55.484 1.00 0.00 WT2 H ATOM 31905 H2 TIP3 5278 81.379 86.241 54.782 1.00 0.00 WT2 H ATOM 31906 OH2 TIP3 5279 66.744 36.554 18.991 1.00 0.00 WT2 O ATOM 31907 H1 TIP3 5279 67.078 36.494 18.095 1.00 0.00 WT2 H ATOM 31908 H2 TIP3 5279 65.854 36.204 18.939 1.00 0.00 WT2 H ATOM 31909 OH2 TIP3 5293 64.692 2.584 43.981 1.00 0.00 WT2 O ATOM 31910 H1 TIP3 5293 65.355 2.035 43.562 1.00 0.00 WT2 H ATOM 31911 H2 TIP3 5293 64.512 3.272 43.340 1.00 0.00 WT2 H ATOM 31912 OH2 TIP3 5294 46.319 73.671 0.023 1.00 0.00 WT2 O ATOM 31913 H1 TIP3 5294 47.260 73.808 -0.093 1.00 0.00 WT2 H ATOM 31914 H2 TIP3 5294 46.228 73.392 0.934 1.00 0.00 WT2 H ATOM 31915 OH2 TIP3 5295 86.151 24.862 -12.188 1.00 0.00 WT2 O ATOM 31916 H1 TIP3 5295 86.856 24.280 -11.905 1.00 0.00 WT2 H ATOM 31917 H2 TIP3 5295 85.348 24.373 -12.006 1.00 0.00 WT2 H ATOM 31918 OH2 TIP3 5296 67.631 85.971 53.797 1.00 0.00 WT2 O ATOM 31919 H1 TIP3 5296 66.678 85.907 53.867 1.00 0.00 WT2 H ATOM 31920 H2 TIP3 5296 67.960 85.232 54.308 1.00 0.00 WT2 H ATOM 31921 OH2 TIP3 5297 87.103 77.534 -9.888 1.00 0.00 WT2 O ATOM 31922 H1 TIP3 5297 86.301 77.950 -10.204 1.00 0.00 WT2 H ATOM 31923 H2 TIP3 5297 87.177 76.732 -10.405 1.00 0.00 WT2 H ATOM 31924 OH2 TIP3 5300 46.886 2.456 23.297 1.00 0.00 WT2 O ATOM 31925 H1 TIP3 5300 46.139 3.054 23.296 1.00 0.00 WT2 H ATOM 31926 H2 TIP3 5300 47.098 2.334 22.371 1.00 0.00 WT2 H ATOM 31927 OH2 TIP3 5301 25.814 64.492 -7.252 1.00 0.00 WT2 O ATOM 31928 H1 TIP3 5301 26.226 65.055 -6.596 1.00 0.00 WT2 H ATOM 31929 H2 TIP3 5301 25.607 63.685 -6.780 1.00 0.00 WT2 H ATOM 31930 OH2 TIP3 5304 39.301 9.263 5.449 1.00 0.00 WT2 O ATOM 31931 H1 TIP3 5304 39.664 9.999 5.943 1.00 0.00 WT2 H ATOM 31932 H2 TIP3 5304 38.569 9.639 4.961 1.00 0.00 WT2 H ATOM 31933 OH2 TIP3 5315 86.965 51.326 45.458 1.00 0.00 WT2 O ATOM 31934 H1 TIP3 5315 87.610 51.246 46.161 1.00 0.00 WT2 H ATOM 31935 H2 TIP3 5315 86.228 50.787 45.745 1.00 0.00 WT2 H ATOM 31936 OH2 TIP3 5317 53.289 10.105 11.541 1.00 0.00 WT2 O ATOM 31937 H1 TIP3 5317 54.105 10.320 11.994 1.00 0.00 WT2 H ATOM 31938 H2 TIP3 5317 52.824 10.939 11.477 1.00 0.00 WT2 H ATOM 31939 OH2 TIP3 5318 33.330 92.956 -16.310 1.00 0.00 WT2 O ATOM 31940 H1 TIP3 5318 34.190 93.144 -15.932 1.00 0.00 WT2 H ATOM 31941 H2 TIP3 5318 33.287 92.001 -16.345 1.00 0.00 WT2 H ATOM 31942 OH2 TIP3 5319 31.417 7.475 67.557 1.00 0.00 WT2 O ATOM 31943 H1 TIP3 5319 30.825 6.732 67.672 1.00 0.00 WT2 H ATOM 31944 H2 TIP3 5319 31.281 7.753 66.651 1.00 0.00 WT2 H ATOM 31945 OH2 TIP3 5320 29.225 58.948 65.183 1.00 0.00 WT2 O ATOM 31946 H1 TIP3 5320 29.405 58.971 66.123 1.00 0.00 WT2 H ATOM 31947 H2 TIP3 5320 29.739 59.670 64.822 1.00 0.00 WT2 H ATOM 31948 OH2 TIP3 5335 26.112 36.391 56.434 1.00 0.00 WT2 O ATOM 31949 H1 TIP3 5335 26.601 35.649 56.790 1.00 0.00 WT2 H ATOM 31950 H2 TIP3 5335 25.204 36.089 56.407 1.00 0.00 WT2 H ATOM 31951 OH2 TIP3 5336 53.932 64.702 66.187 1.00 0.00 WT2 O ATOM 31952 H1 TIP3 5336 52.996 64.890 66.111 1.00 0.00 WT2 H ATOM 31953 H2 TIP3 5336 54.353 65.347 65.619 1.00 0.00 WT2 H ATOM 31954 OH2 TIP3 5339 47.770 78.961 32.828 1.00 0.00 WT2 O ATOM 31955 H1 TIP3 5339 47.789 78.289 33.509 1.00 0.00 WT2 H ATOM 31956 H2 TIP3 5339 47.132 78.639 32.191 1.00 0.00 WT2 H ATOM 31957 OH2 TIP3 5340 84.722 92.756 -17.123 1.00 0.00 WT2 O ATOM 31958 H1 TIP3 5340 85.654 92.973 -17.118 1.00 0.00 WT2 H ATOM 31959 H2 TIP3 5340 84.645 92.045 -17.760 1.00 0.00 WT2 H ATOM 31960 OH2 TIP3 5341 47.650 15.425 52.493 1.00 0.00 WT2 O ATOM 31961 H1 TIP3 5341 47.614 14.724 53.143 1.00 0.00 WT2 H ATOM 31962 H2 TIP3 5341 46.784 15.419 52.085 1.00 0.00 WT2 H ATOM 31963 OH2 TIP3 5355 45.768 69.302 34.209 1.00 0.00 WT2 O ATOM 31964 H1 TIP3 5355 46.214 68.501 33.934 1.00 0.00 WT2 H ATOM 31965 H2 TIP3 5355 46.417 69.769 34.736 1.00 0.00 WT2 H ATOM 31966 OH2 TIP3 5356 65.337 23.407 27.299 1.00 0.00 WT2 O ATOM 31967 H1 TIP3 5356 65.584 24.327 27.212 1.00 0.00 WT2 H ATOM 31968 H2 TIP3 5356 64.700 23.262 26.599 1.00 0.00 WT2 H ATOM 31969 OH2 TIP3 5357 63.026 54.126 58.430 1.00 0.00 WT2 O ATOM 31970 H1 TIP3 5357 62.128 53.814 58.315 1.00 0.00 WT2 H ATOM 31971 H2 TIP3 5357 62.934 55.061 58.610 1.00 0.00 WT2 H ATOM 31972 OH2 TIP3 5358 69.637 49.630 25.251 1.00 0.00 WT2 O ATOM 31973 H1 TIP3 5358 69.976 49.539 24.360 1.00 0.00 WT2 H ATOM 31974 H2 TIP3 5358 68.704 49.434 25.174 1.00 0.00 WT2 H ATOM 31975 OH2 TIP3 5359 70.478 91.138 6.531 1.00 0.00 WT2 O ATOM 31976 H1 TIP3 5359 70.538 90.324 7.030 1.00 0.00 WT2 H ATOM 31977 H2 TIP3 5359 70.944 90.955 5.716 1.00 0.00 WT2 H ATOM 31978 OH2 TIP3 5360 29.531 15.742 -19.963 1.00 0.00 WT2 O ATOM 31979 H1 TIP3 5360 30.316 16.287 -20.011 1.00 0.00 WT2 H ATOM 31980 H2 TIP3 5360 28.826 16.354 -19.750 1.00 0.00 WT2 H ATOM 31981 OH2 TIP3 5364 32.164 25.033 40.699 1.00 0.00 WT2 O ATOM 31982 H1 TIP3 5364 32.121 24.184 40.260 1.00 0.00 WT2 H ATOM 31983 H2 TIP3 5364 33.012 25.395 40.441 1.00 0.00 WT2 H ATOM 31984 OH2 TIP3 5375 75.858 26.800 50.433 1.00 0.00 WT2 O ATOM 31985 H1 TIP3 5375 75.295 27.421 49.970 1.00 0.00 WT2 H ATOM 31986 H2 TIP3 5375 76.709 27.236 50.480 1.00 0.00 WT2 H ATOM 31987 OH2 TIP3 5377 62.035 84.380 2.161 1.00 0.00 WT2 O ATOM 31988 H1 TIP3 5377 61.839 83.470 2.382 1.00 0.00 WT2 H ATOM 31989 H2 TIP3 5377 62.680 84.652 2.814 1.00 0.00 WT2 H ATOM 31990 OH2 TIP3 5378 29.714 3.992 36.751 1.00 0.00 WT2 O ATOM 31991 H1 TIP3 5378 29.921 3.970 35.817 1.00 0.00 WT2 H ATOM 31992 H2 TIP3 5378 30.132 3.208 37.108 1.00 0.00 WT2 H ATOM 31993 OH2 TIP3 5379 40.380 30.252 41.779 1.00 0.00 WT2 O ATOM 31994 H1 TIP3 5379 40.575 30.779 42.554 1.00 0.00 WT2 H ATOM 31995 H2 TIP3 5379 40.055 30.883 41.136 1.00 0.00 WT2 H ATOM 31996 OH2 TIP3 5380 46.310 43.632 63.009 1.00 0.00 WT2 O ATOM 31997 H1 TIP3 5380 46.918 43.981 63.660 1.00 0.00 WT2 H ATOM 31998 H2 TIP3 5380 46.710 42.812 62.721 1.00 0.00 WT2 H ATOM 31999 OH2 TIP3 5381 44.540 93.659 62.812 1.00 0.00 WT2 O ATOM 32000 H1 TIP3 5381 44.297 92.742 62.935 1.00 0.00 WT2 H ATOM 32001 H2 TIP3 5381 43.719 94.097 62.586 1.00 0.00 WT2 H ATOM 32002 OH2 TIP3 5382 88.145 69.831 52.937 1.00 0.00 WT2 O ATOM 32003 H1 TIP3 5382 88.302 68.886 52.945 1.00 0.00 WT2 H ATOM 32004 H2 TIP3 5382 88.921 70.199 52.514 1.00 0.00 WT2 H ATOM 32005 OH2 TIP3 5383 26.096 14.556 48.535 1.00 0.00 WT2 O ATOM 32006 H1 TIP3 5383 26.854 14.617 47.954 1.00 0.00 WT2 H ATOM 32007 H2 TIP3 5383 25.968 15.449 48.856 1.00 0.00 WT2 H ATOM 32008 OH2 TIP3 5384 62.456 36.689 49.409 1.00 0.00 WT2 O ATOM 32009 H1 TIP3 5384 61.753 36.494 50.029 1.00 0.00 WT2 H ATOM 32010 H2 TIP3 5384 62.396 35.995 48.753 1.00 0.00 WT2 H ATOM 32011 OH2 TIP3 5385 84.919 31.886 31.734 1.00 0.00 WT2 O ATOM 32012 H1 TIP3 5385 84.376 32.473 32.261 1.00 0.00 WT2 H ATOM 32013 H2 TIP3 5385 85.526 32.468 31.276 1.00 0.00 WT2 H ATOM 32014 OH2 TIP3 5393 39.152 9.806 38.508 1.00 0.00 WT2 O ATOM 32015 H1 TIP3 5393 38.955 10.272 37.696 1.00 0.00 WT2 H ATOM 32016 H2 TIP3 5393 38.387 9.956 39.063 1.00 0.00 WT2 H ATOM 32017 OH2 TIP3 5396 77.034 81.345 49.636 1.00 0.00 WT2 O ATOM 32018 H1 TIP3 5396 76.624 80.522 49.374 1.00 0.00 WT2 H ATOM 32019 H2 TIP3 5396 76.644 81.548 50.486 1.00 0.00 WT2 H ATOM 32020 OH2 TIP3 5399 35.047 86.223 66.934 1.00 0.00 WT2 O ATOM 32021 H1 TIP3 5399 35.754 86.565 66.387 1.00 0.00 WT2 H ATOM 32022 H2 TIP3 5399 35.012 85.290 66.725 1.00 0.00 WT2 H ATOM 32023 OH2 TIP3 5400 48.936 10.932 9.144 1.00 0.00 WT2 O ATOM 32024 H1 TIP3 5400 48.507 10.122 9.420 1.00 0.00 WT2 H ATOM 32025 H2 TIP3 5400 48.903 11.497 9.916 1.00 0.00 WT2 H ATOM 32026 OH2 TIP3 5402 84.356 10.237 -19.169 1.00 0.00 WT2 O ATOM 32027 H1 TIP3 5402 84.130 10.837 -18.459 1.00 0.00 WT2 H ATOM 32028 H2 TIP3 5402 83.881 10.575 -19.929 1.00 0.00 WT2 H ATOM 32029 OH2 TIP3 5404 34.834 73.494 64.443 1.00 0.00 WT2 O ATOM 32030 H1 TIP3 5404 35.382 73.515 63.659 1.00 0.00 WT2 H ATOM 32031 H2 TIP3 5404 34.470 72.609 64.459 1.00 0.00 WT2 H ATOM 32032 OH2 TIP3 5418 37.087 9.289 8.300 1.00 0.00 WT2 O ATOM 32033 H1 TIP3 5418 37.110 9.772 9.126 1.00 0.00 WT2 H ATOM 32034 H2 TIP3 5418 36.458 9.768 7.759 1.00 0.00 WT2 H ATOM 32035 OH2 TIP3 5419 41.638 20.555 11.113 1.00 0.00 WT2 O ATOM 32036 H1 TIP3 5419 41.321 19.796 10.623 1.00 0.00 WT2 H ATOM 32037 H2 TIP3 5419 42.481 20.275 11.471 1.00 0.00 WT2 H ATOM 32038 OH2 TIP3 5420 85.325 88.963 -11.807 1.00 0.00 WT2 O ATOM 32039 H1 TIP3 5420 85.267 88.212 -11.216 1.00 0.00 WT2 H ATOM 32040 H2 TIP3 5420 84.642 89.560 -11.502 1.00 0.00 WT2 H ATOM 32041 OH2 TIP3 5421 23.097 23.300 67.349 1.00 0.00 WT2 O ATOM 32042 H1 TIP3 5421 23.352 24.164 67.025 1.00 0.00 WT2 H ATOM 32043 H2 TIP3 5421 22.319 23.073 66.841 1.00 0.00 WT2 H ATOM 32044 OH2 TIP3 5422 79.527 38.861 23.443 1.00 0.00 WT2 O ATOM 32045 H1 TIP3 5422 79.730 39.064 22.530 1.00 0.00 WT2 H ATOM 32046 H2 TIP3 5422 78.571 38.828 23.475 1.00 0.00 WT2 H ATOM 32047 OH2 TIP3 5426 61.692 36.209 5.133 1.00 0.00 WT2 O ATOM 32048 H1 TIP3 5426 62.331 36.690 5.658 1.00 0.00 WT2 H ATOM 32049 H2 TIP3 5426 60.868 36.303 5.612 1.00 0.00 WT2 H ATOM 32050 OH2 TIP3 5430 60.879 22.702 50.280 1.00 0.00 WT2 O ATOM 32051 H1 TIP3 5430 61.417 22.404 49.546 1.00 0.00 WT2 H ATOM 32052 H2 TIP3 5430 59.980 22.509 50.013 1.00 0.00 WT2 H ATOM 32053 OH2 TIP3 5434 31.996 58.812 6.683 1.00 0.00 WT2 O ATOM 32054 H1 TIP3 5434 32.453 58.844 7.524 1.00 0.00 WT2 H ATOM 32055 H2 TIP3 5434 31.898 57.878 6.499 1.00 0.00 WT2 H ATOM 32056 OH2 TIP3 5440 57.937 76.553 48.438 1.00 0.00 WT2 O ATOM 32057 H1 TIP3 5440 58.256 75.807 48.946 1.00 0.00 WT2 H ATOM 32058 H2 TIP3 5440 57.467 76.159 47.703 1.00 0.00 WT2 H ATOM 32059 OH2 TIP3 5442 60.287 13.287 -14.813 1.00 0.00 WT2 O ATOM 32060 H1 TIP3 5442 60.016 12.607 -14.197 1.00 0.00 WT2 H ATOM 32061 H2 TIP3 5442 61.121 13.606 -14.467 1.00 0.00 WT2 H ATOM 32062 OH2 TIP3 5443 77.933 79.092 -9.201 1.00 0.00 WT2 O ATOM 32063 H1 TIP3 5443 78.005 80.020 -8.977 1.00 0.00 WT2 H ATOM 32064 H2 TIP3 5443 77.133 78.801 -8.763 1.00 0.00 WT2 H ATOM 32065 OH2 TIP3 5444 31.699 53.302 20.956 1.00 0.00 WT2 O ATOM 32066 H1 TIP3 5444 32.514 53.528 21.402 1.00 0.00 WT2 H ATOM 32067 H2 TIP3 5444 31.845 53.557 20.045 1.00 0.00 WT2 H ATOM 32068 OH2 TIP3 5445 50.047 94.122 -7.848 1.00 0.00 WT2 O ATOM 32069 H1 TIP3 5445 50.095 94.860 -8.455 1.00 0.00 WT2 H ATOM 32070 H2 TIP3 5445 49.725 94.503 -7.031 1.00 0.00 WT2 H ATOM 32071 OH2 TIP3 5446 83.440 60.169 15.109 1.00 0.00 WT2 O ATOM 32072 H1 TIP3 5446 83.454 60.943 15.671 1.00 0.00 WT2 H ATOM 32073 H2 TIP3 5446 84.198 59.656 15.388 1.00 0.00 WT2 H ATOM 32074 OH2 TIP3 5460 69.538 38.266 40.265 1.00 0.00 WT2 O ATOM 32075 H1 TIP3 5460 69.273 39.137 40.561 1.00 0.00 WT2 H ATOM 32076 H2 TIP3 5460 69.164 38.187 39.387 1.00 0.00 WT2 H ATOM 32077 OH2 TIP3 5461 58.323 8.414 52.608 1.00 0.00 WT2 O ATOM 32078 H1 TIP3 5461 58.840 8.242 53.395 1.00 0.00 WT2 H ATOM 32079 H2 TIP3 5461 58.757 7.909 51.921 1.00 0.00 WT2 H ATOM 32080 OH2 TIP3 5462 65.545 13.088 47.363 1.00 0.00 WT2 O ATOM 32081 H1 TIP3 5462 64.804 12.494 47.244 1.00 0.00 WT2 H ATOM 32082 H2 TIP3 5462 65.147 13.921 47.614 1.00 0.00 WT2 H ATOM 32083 OH2 TIP3 5463 83.711 58.583 43.146 1.00 0.00 WT2 O ATOM 32084 H1 TIP3 5463 82.975 59.107 42.831 1.00 0.00 WT2 H ATOM 32085 H2 TIP3 5463 83.826 58.853 44.057 1.00 0.00 WT2 H ATOM 32086 OH2 TIP3 5464 68.715 38.127 37.776 1.00 0.00 WT2 O ATOM 32087 H1 TIP3 5464 68.782 39.021 37.440 1.00 0.00 WT2 H ATOM 32088 H2 TIP3 5464 68.040 37.718 37.235 1.00 0.00 WT2 H ATOM 32089 OH2 TIP3 5466 22.480 74.643 3.519 1.00 0.00 WT2 O ATOM 32090 H1 TIP3 5466 23.211 74.821 2.928 1.00 0.00 WT2 H ATOM 32091 H2 TIP3 5466 22.483 73.691 3.624 1.00 0.00 WT2 H ATOM 32092 OH2 TIP3 5481 24.466 89.621 58.223 1.00 0.00 WT2 O ATOM 32093 H1 TIP3 5481 24.116 90.374 58.701 1.00 0.00 WT2 H ATOM 32094 H2 TIP3 5481 23.959 89.595 57.412 1.00 0.00 WT2 H ATOM 32095 OH2 TIP3 5482 77.810 42.001 15.188 1.00 0.00 WT2 O ATOM 32096 H1 TIP3 5482 78.287 42.830 15.189 1.00 0.00 WT2 H ATOM 32097 H2 TIP3 5482 76.984 42.199 15.631 1.00 0.00 WT2 H ATOM 32098 OH2 TIP3 5483 79.253 40.804 38.264 1.00 0.00 WT2 O ATOM 32099 H1 TIP3 5483 79.429 39.867 38.352 1.00 0.00 WT2 H ATOM 32100 H2 TIP3 5483 79.421 40.995 37.341 1.00 0.00 WT2 H ATOM 32101 OH2 TIP3 5484 79.609 29.482 -10.714 1.00 0.00 WT2 O ATOM 32102 H1 TIP3 5484 80.221 29.096 -10.088 1.00 0.00 WT2 H ATOM 32103 H2 TIP3 5484 78.804 28.976 -10.606 1.00 0.00 WT2 H ATOM 32104 OH2 TIP3 5486 56.738 36.529 42.398 1.00 0.00 WT2 O ATOM 32105 H1 TIP3 5486 56.818 35.846 41.732 1.00 0.00 WT2 H ATOM 32106 H2 TIP3 5486 56.678 37.344 41.900 1.00 0.00 WT2 H ATOM 32107 OH2 TIP3 5487 70.914 18.512 -6.326 1.00 0.00 WT2 O ATOM 32108 H1 TIP3 5487 71.118 17.914 -7.045 1.00 0.00 WT2 H ATOM 32109 H2 TIP3 5487 71.312 19.343 -6.585 1.00 0.00 WT2 H ATOM 32110 OH2 TIP3 5488 74.490 23.854 3.235 1.00 0.00 WT2 O ATOM 32111 H1 TIP3 5488 74.686 24.161 4.120 1.00 0.00 WT2 H ATOM 32112 H2 TIP3 5488 74.096 24.611 2.801 1.00 0.00 WT2 H ATOM 32113 OH2 TIP3 5504 47.452 4.303 52.642 1.00 0.00 WT2 O ATOM 32114 H1 TIP3 5504 47.068 4.080 53.490 1.00 0.00 WT2 H ATOM 32115 H2 TIP3 5504 48.292 3.843 52.630 1.00 0.00 WT2 H ATOM 32116 OH2 TIP3 5505 82.895 74.393 -17.906 1.00 0.00 WT2 O ATOM 32117 H1 TIP3 5505 82.089 74.333 -18.418 1.00 0.00 WT2 H ATOM 32118 H2 TIP3 5505 83.594 74.232 -18.540 1.00 0.00 WT2 H ATOM 32119 OH2 TIP3 5506 66.643 65.358 28.645 1.00 0.00 WT2 O ATOM 32120 H1 TIP3 5506 66.461 64.838 27.862 1.00 0.00 WT2 H ATOM 32121 H2 TIP3 5506 65.856 65.887 28.770 1.00 0.00 WT2 H ATOM 32122 OH2 TIP3 5507 57.223 10.707 56.484 1.00 0.00 WT2 O ATOM 32123 H1 TIP3 5507 56.548 10.533 57.140 1.00 0.00 WT2 H ATOM 32124 H2 TIP3 5507 56.761 10.663 55.647 1.00 0.00 WT2 H ATOM 32125 OH2 TIP3 5510 29.620 42.099 29.569 1.00 0.00 WT2 O ATOM 32126 H1 TIP3 5510 29.096 42.226 28.778 1.00 0.00 WT2 H ATOM 32127 H2 TIP3 5510 30.343 41.537 29.290 1.00 0.00 WT2 H ATOM 32128 OH2 TIP3 5522 32.478 68.225 -4.764 1.00 0.00 WT2 O ATOM 32129 H1 TIP3 5522 33.002 67.974 -5.524 1.00 0.00 WT2 H ATOM 32130 H2 TIP3 5522 32.883 69.034 -4.450 1.00 0.00 WT2 H ATOM 32131 OH2 TIP3 5526 74.288 19.392 -9.656 1.00 0.00 WT2 O ATOM 32132 H1 TIP3 5526 73.708 19.838 -9.038 1.00 0.00 WT2 H ATOM 32133 H2 TIP3 5526 74.781 18.773 -9.117 1.00 0.00 WT2 H ATOM 32134 OH2 TIP3 5527 47.871 76.112 59.908 1.00 0.00 WT2 O ATOM 32135 H1 TIP3 5527 48.377 75.334 59.675 1.00 0.00 WT2 H ATOM 32136 H2 TIP3 5527 47.729 76.564 59.075 1.00 0.00 WT2 H ATOM 32137 OH2 TIP3 5528 32.114 47.136 6.646 1.00 0.00 WT2 O ATOM 32138 H1 TIP3 5528 32.926 47.068 6.144 1.00 0.00 WT2 H ATOM 32139 H2 TIP3 5528 32.399 47.181 7.558 1.00 0.00 WT2 H ATOM 32140 OH2 TIP3 5530 61.771 81.009 5.969 1.00 0.00 WT2 O ATOM 32141 H1 TIP3 5530 61.175 81.035 6.717 1.00 0.00 WT2 H ATOM 32142 H2 TIP3 5530 61.266 80.586 5.274 1.00 0.00 WT2 H ATOM 32143 OH2 TIP3 5545 68.655 12.813 36.280 1.00 0.00 WT2 O ATOM 32144 H1 TIP3 5545 68.274 13.031 37.131 1.00 0.00 WT2 H ATOM 32145 H2 TIP3 5545 67.902 12.700 35.701 1.00 0.00 WT2 H ATOM 32146 OH2 TIP3 5547 64.666 7.288 -0.984 1.00 0.00 WT2 O ATOM 32147 H1 TIP3 5547 64.662 7.993 -1.632 1.00 0.00 WT2 H ATOM 32148 H2 TIP3 5547 64.215 7.657 -0.225 1.00 0.00 WT2 H ATOM 32149 OH2 TIP3 5548 59.116 2.560 57.030 1.00 0.00 WT2 O ATOM 32150 H1 TIP3 5548 59.696 2.292 57.743 1.00 0.00 WT2 H ATOM 32151 H2 TIP3 5548 58.402 3.027 57.465 1.00 0.00 WT2 H ATOM 32152 OH2 TIP3 5549 23.747 84.859 6.537 1.00 0.00 WT2 O ATOM 32153 H1 TIP3 5549 24.624 84.563 6.783 1.00 0.00 WT2 H ATOM 32154 H2 TIP3 5549 23.290 84.062 6.270 1.00 0.00 WT2 H ATOM 32155 OH2 TIP3 5550 87.409 36.682 60.951 1.00 0.00 WT2 O ATOM 32156 H1 TIP3 5550 87.548 37.476 60.435 1.00 0.00 WT2 H ATOM 32157 H2 TIP3 5550 86.561 36.350 60.658 1.00 0.00 WT2 H ATOM 32158 OH2 TIP3 5551 79.322 34.961 61.443 1.00 0.00 WT2 O ATOM 32159 H1 TIP3 5551 78.863 34.211 61.065 1.00 0.00 WT2 H ATOM 32160 H2 TIP3 5551 78.984 35.026 62.336 1.00 0.00 WT2 H ATOM 32161 OH2 TIP3 5552 37.199 10.311 47.056 1.00 0.00 WT2 O ATOM 32162 H1 TIP3 5552 37.114 9.430 47.420 1.00 0.00 WT2 H ATOM 32163 H2 TIP3 5552 38.122 10.534 47.178 1.00 0.00 WT2 H ATOM 32164 OH2 TIP3 5553 31.658 25.627 31.570 1.00 0.00 WT2 O ATOM 32165 H1 TIP3 5553 31.871 26.514 31.861 1.00 0.00 WT2 H ATOM 32166 H2 TIP3 5553 31.905 25.612 30.645 1.00 0.00 WT2 H ATOM 32167 OH2 TIP3 5564 27.683 20.913 63.447 1.00 0.00 WT2 O ATOM 32168 H1 TIP3 5564 28.526 20.708 63.041 1.00 0.00 WT2 H ATOM 32169 H2 TIP3 5564 27.546 21.841 63.259 1.00 0.00 WT2 H ATOM 32170 OH2 TIP3 5566 65.408 71.165 32.921 1.00 0.00 WT2 O ATOM 32171 H1 TIP3 5566 64.855 70.948 32.171 1.00 0.00 WT2 H ATOM 32172 H2 TIP3 5566 65.177 70.515 33.585 1.00 0.00 WT2 H ATOM 32173 OH2 TIP3 5567 54.820 52.610 66.999 1.00 0.00 WT2 O ATOM 32174 H1 TIP3 5567 53.905 52.396 67.180 1.00 0.00 WT2 H ATOM 32175 H2 TIP3 5567 55.291 51.788 67.134 1.00 0.00 WT2 H ATOM 32176 OH2 TIP3 5568 71.969 74.983 22.835 1.00 0.00 WT2 O ATOM 32177 H1 TIP3 5568 72.869 74.660 22.788 1.00 0.00 WT2 H ATOM 32178 H2 TIP3 5568 71.435 74.254 22.519 1.00 0.00 WT2 H ATOM 32179 OH2 TIP3 5569 71.909 31.711 42.812 1.00 0.00 WT2 O ATOM 32180 H1 TIP3 5569 70.956 31.641 42.856 1.00 0.00 WT2 H ATOM 32181 H2 TIP3 5569 72.106 31.724 41.876 1.00 0.00 WT2 H ATOM 32182 OH2 TIP3 5571 49.035 92.308 -10.958 1.00 0.00 WT2 O ATOM 32183 H1 TIP3 5571 49.502 92.758 -11.661 1.00 0.00 WT2 H ATOM 32184 H2 TIP3 5571 48.333 91.832 -11.402 1.00 0.00 WT2 H ATOM 32185 OH2 TIP3 5572 81.749 89.388 60.009 1.00 0.00 WT2 O ATOM 32186 H1 TIP3 5572 82.681 89.244 59.841 1.00 0.00 WT2 H ATOM 32187 H2 TIP3 5572 81.342 88.538 59.844 1.00 0.00 WT2 H ATOM 32188 OH2 TIP3 5585 82.645 22.541 56.017 1.00 0.00 WT2 O ATOM 32189 H1 TIP3 5585 81.905 22.186 55.525 1.00 0.00 WT2 H ATOM 32190 H2 TIP3 5585 82.622 23.481 55.840 1.00 0.00 WT2 H ATOM 32191 OH2 TIP3 5590 86.007 35.806 32.755 1.00 0.00 WT2 O ATOM 32192 H1 TIP3 5590 85.737 35.584 31.864 1.00 0.00 WT2 H ATOM 32193 H2 TIP3 5590 86.015 34.969 33.220 1.00 0.00 WT2 H ATOM 32194 OH2 TIP3 5591 58.314 0.642 47.884 1.00 0.00 WT2 O ATOM 32195 H1 TIP3 5591 58.163 0.115 47.099 1.00 0.00 WT2 H ATOM 32196 H2 TIP3 5591 58.534 0.004 48.563 1.00 0.00 WT2 H ATOM 32197 OH2 TIP3 5592 31.163 60.592 27.640 1.00 0.00 WT2 O ATOM 32198 H1 TIP3 5592 31.717 59.922 28.041 1.00 0.00 WT2 H ATOM 32199 H2 TIP3 5592 31.775 61.167 27.182 1.00 0.00 WT2 H ATOM 32200 OH2 TIP3 5595 78.537 82.056 0.908 1.00 0.00 WT2 O ATOM 32201 H1 TIP3 5595 78.998 82.777 0.479 1.00 0.00 WT2 H ATOM 32202 H2 TIP3 5595 78.518 82.300 1.833 1.00 0.00 WT2 H ATOM 32203 OH2 TIP3 5596 87.390 61.716 -3.492 1.00 0.00 WT2 O ATOM 32204 H1 TIP3 5596 87.602 60.870 -3.096 1.00 0.00 WT2 H ATOM 32205 H2 TIP3 5596 87.648 62.361 -2.833 1.00 0.00 WT2 H ATOM 32206 OH2 TIP3 5606 36.139 52.750 59.982 1.00 0.00 WT2 O ATOM 32207 H1 TIP3 5606 35.926 51.909 60.385 1.00 0.00 WT2 H ATOM 32208 H2 TIP3 5606 36.481 52.523 59.117 1.00 0.00 WT2 H ATOM 32209 OH2 TIP3 5607 51.508 26.335 13.903 1.00 0.00 WT2 O ATOM 32210 H1 TIP3 5607 52.244 26.944 13.965 1.00 0.00 WT2 H ATOM 32211 H2 TIP3 5607 51.492 26.072 12.982 1.00 0.00 WT2 H ATOM 32212 OH2 TIP3 5609 90.126 67.871 -5.537 1.00 0.00 WT2 O ATOM 32213 H1 TIP3 5609 89.887 67.498 -4.689 1.00 0.00 WT2 H ATOM 32214 H2 TIP3 5609 90.707 67.220 -5.931 1.00 0.00 WT2 H ATOM 32215 OH2 TIP3 5610 57.673 60.639 55.931 1.00 0.00 WT2 O ATOM 32216 H1 TIP3 5610 58.049 60.446 56.790 1.00 0.00 WT2 H ATOM 32217 H2 TIP3 5610 58.315 60.301 55.307 1.00 0.00 WT2 H ATOM 32218 OH2 TIP3 5611 28.938 30.513 -9.512 1.00 0.00 WT2 O ATOM 32219 H1 TIP3 5611 28.585 31.402 -9.512 1.00 0.00 WT2 H ATOM 32220 H2 TIP3 5611 29.030 30.291 -10.438 1.00 0.00 WT2 H ATOM 32221 OH2 TIP3 5612 83.239 51.735 65.892 1.00 0.00 WT2 O ATOM 32222 H1 TIP3 5612 82.571 52.349 65.587 1.00 0.00 WT2 H ATOM 32223 H2 TIP3 5612 83.929 51.785 65.230 1.00 0.00 WT2 H ATOM 32224 OH2 TIP3 5614 39.567 39.089 -12.562 1.00 0.00 WT2 O ATOM 32225 H1 TIP3 5614 38.918 39.740 -12.295 1.00 0.00 WT2 H ATOM 32226 H2 TIP3 5614 40.320 39.255 -11.994 1.00 0.00 WT2 H ATOM 32227 OH2 TIP3 5615 46.773 12.841 66.800 1.00 0.00 WT2 O ATOM 32228 H1 TIP3 5615 46.323 13.441 66.205 1.00 0.00 WT2 H ATOM 32229 H2 TIP3 5615 47.702 12.960 66.603 1.00 0.00 WT2 H ATOM 32230 OH2 TIP3 5616 25.172 42.480 45.163 1.00 0.00 WT2 O ATOM 32231 H1 TIP3 5616 24.980 43.414 45.247 1.00 0.00 WT2 H ATOM 32232 H2 TIP3 5616 24.873 42.252 44.282 1.00 0.00 WT2 H ATOM 32233 OH2 TIP3 5618 75.722 18.292 -19.045 1.00 0.00 WT2 O ATOM 32234 H1 TIP3 5618 75.376 17.459 -18.724 1.00 0.00 WT2 H ATOM 32235 H2 TIP3 5618 75.940 18.125 -19.962 1.00 0.00 WT2 H ATOM 32236 OH2 TIP3 5626 86.836 68.278 35.871 1.00 0.00 WT2 O ATOM 32237 H1 TIP3 5626 86.606 67.664 35.174 1.00 0.00 WT2 H ATOM 32238 H2 TIP3 5626 87.793 68.305 35.862 1.00 0.00 WT2 H ATOM 32239 OH2 TIP3 5630 58.962 51.856 -9.159 1.00 0.00 WT2 O ATOM 32240 H1 TIP3 5630 58.149 51.749 -8.665 1.00 0.00 WT2 H ATOM 32241 H2 TIP3 5630 59.536 52.349 -8.572 1.00 0.00 WT2 H ATOM 32242 OH2 TIP3 5631 70.589 88.628 32.884 1.00 0.00 WT2 O ATOM 32243 H1 TIP3 5631 70.050 88.533 32.099 1.00 0.00 WT2 H ATOM 32244 H2 TIP3 5631 70.579 87.761 33.289 1.00 0.00 WT2 H ATOM 32245 OH2 TIP3 5633 44.799 76.396 -13.607 1.00 0.00 WT2 O ATOM 32246 H1 TIP3 5633 44.967 75.545 -14.012 1.00 0.00 WT2 H ATOM 32247 H2 TIP3 5633 43.920 76.632 -13.901 1.00 0.00 WT2 H ATOM 32248 OH2 TIP3 5635 67.727 5.962 -3.047 1.00 0.00 WT2 O ATOM 32249 H1 TIP3 5635 68.163 5.825 -2.206 1.00 0.00 WT2 H ATOM 32250 H2 TIP3 5635 67.375 6.851 -2.992 1.00 0.00 WT2 H ATOM 32251 OH2 TIP3 5647 86.943 76.696 34.582 1.00 0.00 WT2 O ATOM 32252 H1 TIP3 5647 87.059 76.107 33.836 1.00 0.00 WT2 H ATOM 32253 H2 TIP3 5647 87.802 76.721 35.003 1.00 0.00 WT2 H ATOM 32254 OH2 TIP3 5650 56.464 32.760 64.600 1.00 0.00 WT2 O ATOM 32255 H1 TIP3 5650 56.723 33.666 64.426 1.00 0.00 WT2 H ATOM 32256 H2 TIP3 5650 56.101 32.451 63.770 1.00 0.00 WT2 H ATOM 32257 OH2 TIP3 5651 32.932 55.077 54.010 1.00 0.00 WT2 O ATOM 32258 H1 TIP3 5651 32.984 54.602 54.840 1.00 0.00 WT2 H ATOM 32259 H2 TIP3 5651 32.081 54.833 53.646 1.00 0.00 WT2 H ATOM 32260 OH2 TIP3 5653 45.436 95.848 27.938 1.00 0.00 WT2 O ATOM 32261 H1 TIP3 5653 45.769 94.969 28.121 1.00 0.00 WT2 H ATOM 32262 H2 TIP3 5653 45.814 96.074 27.088 1.00 0.00 WT2 H ATOM 32263 OH2 TIP3 5654 39.934 95.972 51.314 1.00 0.00 WT2 O ATOM 32264 H1 TIP3 5654 39.816 96.676 50.676 1.00 0.00 WT2 H ATOM 32265 H2 TIP3 5654 39.873 96.406 52.164 1.00 0.00 WT2 H ATOM 32266 OH2 TIP3 5655 64.559 45.557 44.317 1.00 0.00 WT2 O ATOM 32267 H1 TIP3 5655 63.877 45.719 44.968 1.00 0.00 WT2 H ATOM 32268 H2 TIP3 5655 64.370 46.177 43.612 1.00 0.00 WT2 H ATOM 32269 OH2 TIP3 5656 67.877 31.202 49.510 1.00 0.00 WT2 O ATOM 32270 H1 TIP3 5656 66.928 31.082 49.466 1.00 0.00 WT2 H ATOM 32271 H2 TIP3 5656 68.026 32.068 49.130 1.00 0.00 WT2 H ATOM 32272 OH2 TIP3 5669 52.102 71.645 -3.250 1.00 0.00 WT2 O ATOM 32273 H1 TIP3 5669 52.733 71.769 -2.540 1.00 0.00 WT2 H ATOM 32274 H2 TIP3 5669 52.539 71.046 -3.856 1.00 0.00 WT2 H ATOM 32275 OH2 TIP3 5673 88.180 96.462 31.554 1.00 0.00 WT2 O ATOM 32276 H1 TIP3 5673 88.567 95.629 31.285 1.00 0.00 WT2 H ATOM 32277 H2 TIP3 5673 87.593 96.697 30.835 1.00 0.00 WT2 H ATOM 32278 OH2 TIP3 5674 21.771 34.604 -8.466 1.00 0.00 WT2 O ATOM 32279 H1 TIP3 5674 22.123 34.714 -7.583 1.00 0.00 WT2 H ATOM 32280 H2 TIP3 5674 21.724 33.656 -8.589 1.00 0.00 WT2 H ATOM 32281 OH2 TIP3 5675 86.890 44.839 17.168 1.00 0.00 WT2 O ATOM 32282 H1 TIP3 5675 86.767 44.588 16.253 1.00 0.00 WT2 H ATOM 32283 H2 TIP3 5675 87.836 44.792 17.306 1.00 0.00 WT2 H ATOM 32284 OH2 TIP3 5676 60.723 12.457 26.136 1.00 0.00 WT2 O ATOM 32285 H1 TIP3 5676 60.966 11.582 25.835 1.00 0.00 WT2 H ATOM 32286 H2 TIP3 5676 61.551 12.934 26.183 1.00 0.00 WT2 H ATOM 32287 OH2 TIP3 5678 76.534 24.492 -17.940 1.00 0.00 WT2 O ATOM 32288 H1 TIP3 5678 76.118 25.273 -17.573 1.00 0.00 WT2 H ATOM 32289 H2 TIP3 5678 75.952 24.223 -18.650 1.00 0.00 WT2 H ATOM 32290 OH2 TIP3 5679 62.559 28.129 -16.027 1.00 0.00 WT2 O ATOM 32291 H1 TIP3 5679 63.321 28.298 -15.472 1.00 0.00 WT2 H ATOM 32292 H2 TIP3 5679 61.886 28.724 -15.698 1.00 0.00 WT2 H ATOM 32293 OH2 TIP3 5687 39.253 4.603 23.416 1.00 0.00 WT2 O ATOM 32294 H1 TIP3 5687 39.762 4.973 22.695 1.00 0.00 WT2 H ATOM 32295 H2 TIP3 5687 38.896 5.364 23.874 1.00 0.00 WT2 H ATOM 32296 OH2 TIP3 5690 63.960 93.875 1.345 1.00 0.00 WT2 O ATOM 32297 H1 TIP3 5690 64.185 94.768 1.606 1.00 0.00 WT2 H ATOM 32298 H2 TIP3 5690 63.003 93.860 1.340 1.00 0.00 WT2 H ATOM 32299 OH2 TIP3 5692 50.875 15.712 -16.876 1.00 0.00 WT2 O ATOM 32300 H1 TIP3 5692 51.155 16.526 -16.456 1.00 0.00 WT2 H ATOM 32301 H2 TIP3 5692 51.492 15.053 -16.556 1.00 0.00 WT2 H ATOM 32302 OH2 TIP3 5693 48.912 49.052 5.268 1.00 0.00 WT2 O ATOM 32303 H1 TIP3 5693 48.616 49.515 6.052 1.00 0.00 WT2 H ATOM 32304 H2 TIP3 5693 49.838 49.282 5.189 1.00 0.00 WT2 H ATOM 32305 OH2 TIP3 5694 47.384 54.643 61.100 1.00 0.00 WT2 O ATOM 32306 H1 TIP3 5694 47.174 54.962 60.222 1.00 0.00 WT2 H ATOM 32307 H2 TIP3 5694 46.747 53.946 61.260 1.00 0.00 WT2 H ATOM 32308 OH2 TIP3 5695 56.730 31.636 47.674 1.00 0.00 WT2 O ATOM 32309 H1 TIP3 5695 56.381 30.752 47.555 1.00 0.00 WT2 H ATOM 32310 H2 TIP3 5695 56.307 32.154 46.989 1.00 0.00 WT2 H ATOM 32311 OH2 TIP3 5697 61.489 30.273 16.876 1.00 0.00 WT2 O ATOM 32312 H1 TIP3 5697 61.760 29.400 16.591 1.00 0.00 WT2 H ATOM 32313 H2 TIP3 5697 60.709 30.120 17.410 1.00 0.00 WT2 H ATOM 32314 OH2 TIP3 5702 71.380 57.009 54.962 1.00 0.00 WT2 O ATOM 32315 H1 TIP3 5702 70.780 57.291 54.271 1.00 0.00 WT2 H ATOM 32316 H2 TIP3 5702 72.005 57.729 55.046 1.00 0.00 WT2 H ATOM 32317 OH2 TIP3 5710 40.942 56.094 52.126 1.00 0.00 WT2 O ATOM 32318 H1 TIP3 5710 41.344 56.292 51.281 1.00 0.00 WT2 H ATOM 32319 H2 TIP3 5710 41.360 56.699 52.739 1.00 0.00 WT2 H ATOM 32320 OH2 TIP3 5711 53.416 23.060 45.091 1.00 0.00 WT2 O ATOM 32321 H1 TIP3 5711 53.213 22.148 45.302 1.00 0.00 WT2 H ATOM 32322 H2 TIP3 5711 54.369 23.115 45.156 1.00 0.00 WT2 H ATOM 32323 OH2 TIP3 5713 59.875 68.332 43.810 1.00 0.00 WT2 O ATOM 32324 H1 TIP3 5713 59.448 68.903 43.171 1.00 0.00 WT2 H ATOM 32325 H2 TIP3 5713 59.168 68.054 44.393 1.00 0.00 WT2 H ATOM 32326 OH2 TIP3 5714 49.635 96.881 36.521 1.00 0.00 WT2 O ATOM 32327 H1 TIP3 5714 50.581 96.843 36.382 1.00 0.00 WT2 H ATOM 32328 H2 TIP3 5714 49.498 96.431 37.355 1.00 0.00 WT2 H ATOM 32329 OH2 TIP3 5716 51.379 26.147 30.738 1.00 0.00 WT2 O ATOM 32330 H1 TIP3 5716 51.445 26.714 29.970 1.00 0.00 WT2 H ATOM 32331 H2 TIP3 5716 51.436 26.744 31.484 1.00 0.00 WT2 H ATOM 32332 OH2 TIP3 5717 63.770 31.116 39.615 1.00 0.00 WT2 O ATOM 32333 H1 TIP3 5717 64.460 31.618 40.049 1.00 0.00 WT2 H ATOM 32334 H2 TIP3 5717 62.983 31.650 39.719 1.00 0.00 WT2 H ATOM 32335 OH2 TIP3 5720 69.455 40.890 2.295 1.00 0.00 WT2 O ATOM 32336 H1 TIP3 5720 69.852 40.672 3.138 1.00 0.00 WT2 H ATOM 32337 H2 TIP3 5720 69.803 41.756 2.083 1.00 0.00 WT2 H ATOM 32338 OH2 TIP3 5730 58.626 43.848 59.545 1.00 0.00 WT2 O ATOM 32339 H1 TIP3 5730 58.085 44.119 60.286 1.00 0.00 WT2 H ATOM 32340 H2 TIP3 5730 59.368 44.452 59.555 1.00 0.00 WT2 H ATOM 32341 OH2 TIP3 5734 29.744 14.776 -16.720 1.00 0.00 WT2 O ATOM 32342 H1 TIP3 5734 29.709 14.396 -17.598 1.00 0.00 WT2 H ATOM 32343 H2 TIP3 5734 28.862 14.649 -16.369 1.00 0.00 WT2 H ATOM 32344 OH2 TIP3 5735 41.678 71.478 -18.947 1.00 0.00 WT2 O ATOM 32345 H1 TIP3 5735 41.082 71.886 -18.319 1.00 0.00 WT2 H ATOM 32346 H2 TIP3 5735 42.495 71.969 -18.857 1.00 0.00 WT2 H ATOM 32347 OH2 TIP3 5736 60.497 87.303 33.875 1.00 0.00 WT2 O ATOM 32348 H1 TIP3 5736 61.177 87.789 34.340 1.00 0.00 WT2 H ATOM 32349 H2 TIP3 5736 60.422 86.477 34.354 1.00 0.00 WT2 H ATOM 32350 OH2 TIP3 5738 83.575 83.399 33.245 1.00 0.00 WT2 O ATOM 32351 H1 TIP3 5738 84.530 83.385 33.312 1.00 0.00 WT2 H ATOM 32352 H2 TIP3 5738 83.310 82.493 33.402 1.00 0.00 WT2 H ATOM 32353 OH2 TIP3 5740 53.816 94.699 7.052 1.00 0.00 WT2 O ATOM 32354 H1 TIP3 5740 53.987 95.323 7.758 1.00 0.00 WT2 H ATOM 32355 H2 TIP3 5740 54.685 94.419 6.764 1.00 0.00 WT2 H ATOM 32356 OH2 TIP3 5743 68.660 39.907 -17.009 1.00 0.00 WT2 O ATOM 32357 H1 TIP3 5743 67.914 39.553 -16.524 1.00 0.00 WT2 H ATOM 32358 H2 TIP3 5743 68.266 40.469 -17.676 1.00 0.00 WT2 H ATOM 32359 OH2 TIP3 5755 85.556 95.522 42.226 1.00 0.00 WT2 O ATOM 32360 H1 TIP3 5755 84.900 94.834 42.121 1.00 0.00 WT2 H ATOM 32361 H2 TIP3 5755 86.332 95.186 41.777 1.00 0.00 WT2 H ATOM 32362 OH2 TIP3 5756 80.162 18.433 -6.508 1.00 0.00 WT2 O ATOM 32363 H1 TIP3 5756 79.211 18.322 -6.518 1.00 0.00 WT2 H ATOM 32364 H2 TIP3 5756 80.507 17.541 -6.466 1.00 0.00 WT2 H ATOM 32365 OH2 TIP3 5758 63.653 24.207 -8.826 1.00 0.00 WT2 O ATOM 32366 H1 TIP3 5758 63.207 23.984 -9.643 1.00 0.00 WT2 H ATOM 32367 H2 TIP3 5758 63.668 23.388 -8.330 1.00 0.00 WT2 H ATOM 32368 OH2 TIP3 5759 79.508 88.381 -20.068 1.00 0.00 WT2 O ATOM 32369 H1 TIP3 5759 79.788 87.732 -19.422 1.00 0.00 WT2 H ATOM 32370 H2 TIP3 5759 80.284 88.922 -20.215 1.00 0.00 WT2 H ATOM 32371 OH2 TIP3 5761 31.413 65.772 62.215 1.00 0.00 WT2 O ATOM 32372 H1 TIP3 5761 31.164 64.893 61.928 1.00 0.00 WT2 H ATOM 32373 H2 TIP3 5761 32.316 65.875 61.916 1.00 0.00 WT2 H ATOM 32374 OH2 TIP3 5762 45.129 11.097 -19.111 1.00 0.00 WT2 O ATOM 32375 H1 TIP3 5762 45.058 10.250 -19.552 1.00 0.00 WT2 H ATOM 32376 H2 TIP3 5762 45.917 11.495 -19.481 1.00 0.00 WT2 H ATOM 32377 OH2 TIP3 5764 86.940 85.509 -7.387 1.00 0.00 WT2 O ATOM 32378 H1 TIP3 5764 87.592 86.172 -7.614 1.00 0.00 WT2 H ATOM 32379 H2 TIP3 5764 87.120 85.299 -6.471 1.00 0.00 WT2 H ATOM 32380 OH2 TIP3 5767 35.986 28.730 45.881 1.00 0.00 WT2 O ATOM 32381 H1 TIP3 5767 36.867 28.581 45.539 1.00 0.00 WT2 H ATOM 32382 H2 TIP3 5767 35.664 27.856 46.103 1.00 0.00 WT2 H ATOM 32383 OH2 TIP3 5768 70.968 85.829 67.182 1.00 0.00 WT2 O ATOM 32384 H1 TIP3 5768 70.088 86.008 66.851 1.00 0.00 WT2 H ATOM 32385 H2 TIP3 5768 71.524 86.476 66.747 1.00 0.00 WT2 H ATOM 32386 OH2 TIP3 5775 65.722 47.102 47.598 1.00 0.00 WT2 O ATOM 32387 H1 TIP3 5775 65.654 46.971 46.652 1.00 0.00 WT2 H ATOM 32388 H2 TIP3 5775 66.570 46.725 47.832 1.00 0.00 WT2 H ATOM 32389 OH2 TIP3 5777 72.775 89.865 0.783 1.00 0.00 WT2 O ATOM 32390 H1 TIP3 5777 73.243 90.422 0.161 1.00 0.00 WT2 H ATOM 32391 H2 TIP3 5777 72.341 90.479 1.376 1.00 0.00 WT2 H ATOM 32392 OH2 TIP3 5778 77.690 4.614 54.599 1.00 0.00 WT2 O ATOM 32393 H1 TIP3 5778 77.388 4.490 53.699 1.00 0.00 WT2 H ATOM 32394 H2 TIP3 5778 78.029 3.758 54.859 1.00 0.00 WT2 H ATOM 32395 OH2 TIP3 5779 71.255 31.985 51.766 1.00 0.00 WT2 O ATOM 32396 H1 TIP3 5779 71.602 32.864 51.612 1.00 0.00 WT2 H ATOM 32397 H2 TIP3 5779 72.031 31.429 51.832 1.00 0.00 WT2 H ATOM 32398 OH2 TIP3 5780 81.734 75.710 64.144 1.00 0.00 WT2 O ATOM 32399 H1 TIP3 5780 82.224 75.308 63.427 1.00 0.00 WT2 H ATOM 32400 H2 TIP3 5780 82.405 75.986 64.768 1.00 0.00 WT2 H ATOM 32401 OH2 TIP3 5795 31.755 89.642 57.516 1.00 0.00 WT2 O ATOM 32402 H1 TIP3 5795 31.714 88.764 57.138 1.00 0.00 WT2 H ATOM 32403 H2 TIP3 5795 30.865 89.811 57.827 1.00 0.00 WT2 H ATOM 32404 OH2 TIP3 5797 59.315 2.021 -2.322 1.00 0.00 WT2 O ATOM 32405 H1 TIP3 5797 60.267 2.116 -2.286 1.00 0.00 WT2 H ATOM 32406 H2 TIP3 5797 58.993 2.556 -1.596 1.00 0.00 WT2 H ATOM 32407 OH2 TIP3 5798 56.331 29.239 51.460 1.00 0.00 WT2 O ATOM 32408 H1 TIP3 5798 56.651 30.134 51.345 1.00 0.00 WT2 H ATOM 32409 H2 TIP3 5798 55.379 29.315 51.390 1.00 0.00 WT2 H ATOM 32410 OH2 TIP3 5799 34.835 41.723 42.091 1.00 0.00 WT2 O ATOM 32411 H1 TIP3 5799 35.609 42.069 41.645 1.00 0.00 WT2 H ATOM 32412 H2 TIP3 5799 34.210 41.551 41.386 1.00 0.00 WT2 H ATOM 32413 OH2 TIP3 5800 50.015 23.022 48.096 1.00 0.00 WT2 O ATOM 32414 H1 TIP3 5800 49.329 23.625 47.808 1.00 0.00 WT2 H ATOM 32415 H2 TIP3 5800 49.948 22.279 47.496 1.00 0.00 WT2 H ATOM 32416 OH2 TIP3 5801 58.230 85.013 -8.907 1.00 0.00 WT2 O ATOM 32417 H1 TIP3 5801 58.860 84.341 -9.166 1.00 0.00 WT2 H ATOM 32418 H2 TIP3 5801 57.889 84.711 -8.065 1.00 0.00 WT2 H ATOM 32419 OH2 TIP3 5802 69.927 7.709 -15.976 1.00 0.00 WT2 O ATOM 32420 H1 TIP3 5802 69.708 6.781 -16.058 1.00 0.00 WT2 H ATOM 32421 H2 TIP3 5802 70.711 7.820 -16.514 1.00 0.00 WT2 H ATOM 32422 OH2 TIP3 5818 75.340 14.415 42.185 1.00 0.00 WT2 O ATOM 32423 H1 TIP3 5818 75.360 13.844 41.417 1.00 0.00 WT2 H ATOM 32424 H2 TIP3 5818 74.856 15.189 41.896 1.00 0.00 WT2 H ATOM 32425 OH2 TIP3 5819 20.517 1.971 31.055 1.00 0.00 WT2 O ATOM 32426 H1 TIP3 5819 20.753 1.979 31.982 1.00 0.00 WT2 H ATOM 32427 H2 TIP3 5819 20.167 2.846 30.888 1.00 0.00 WT2 H ATOM 32428 OH2 TIP3 5820 74.355 52.043 38.091 1.00 0.00 WT2 O ATOM 32429 H1 TIP3 5820 74.725 52.346 37.261 1.00 0.00 WT2 H ATOM 32430 H2 TIP3 5820 73.772 52.751 38.366 1.00 0.00 WT2 H ATOM 32431 OH2 TIP3 5821 65.985 24.010 0.111 1.00 0.00 WT2 O ATOM 32432 H1 TIP3 5821 66.508 24.762 -0.164 1.00 0.00 WT2 H ATOM 32433 H2 TIP3 5821 65.098 24.212 -0.187 1.00 0.00 WT2 H ATOM 32434 OH2 TIP3 5822 23.957 53.562 22.831 1.00 0.00 WT2 O ATOM 32435 H1 TIP3 5822 24.093 53.991 23.675 1.00 0.00 WT2 H ATOM 32436 H2 TIP3 5822 24.574 52.830 22.831 1.00 0.00 WT2 H ATOM 32437 OH2 TIP3 5823 23.026 27.380 55.018 1.00 0.00 WT2 O ATOM 32438 H1 TIP3 5823 23.487 26.650 55.432 1.00 0.00 WT2 H ATOM 32439 H2 TIP3 5823 23.582 27.626 54.278 1.00 0.00 WT2 H ATOM 32440 OH2 TIP3 5825 69.516 80.899 3.740 1.00 0.00 WT2 O ATOM 32441 H1 TIP3 5825 68.712 80.392 3.625 1.00 0.00 WT2 H ATOM 32442 H2 TIP3 5825 69.573 81.442 2.954 1.00 0.00 WT2 H ATOM 32443 OH2 TIP3 5828 42.775 62.876 59.727 1.00 0.00 WT2 O ATOM 32444 H1 TIP3 5828 43.265 63.537 60.216 1.00 0.00 WT2 H ATOM 32445 H2 TIP3 5828 43.146 62.907 58.845 1.00 0.00 WT2 H ATOM 32446 OH2 TIP3 5836 65.376 78.607 49.746 1.00 0.00 WT2 O ATOM 32447 H1 TIP3 5836 64.520 78.199 49.613 1.00 0.00 WT2 H ATOM 32448 H2 TIP3 5836 65.870 78.392 48.954 1.00 0.00 WT2 H ATOM 32449 OH2 TIP3 5837 79.621 52.157 50.737 1.00 0.00 WT2 O ATOM 32450 H1 TIP3 5837 79.857 52.290 49.819 1.00 0.00 WT2 H ATOM 32451 H2 TIP3 5837 78.764 52.575 50.827 1.00 0.00 WT2 H ATOM 32452 OH2 TIP3 5839 43.454 23.794 30.143 1.00 0.00 WT2 O ATOM 32453 H1 TIP3 5839 42.767 23.479 29.555 1.00 0.00 WT2 H ATOM 32454 H2 TIP3 5839 44.032 24.311 29.583 1.00 0.00 WT2 H ATOM 32455 OH2 TIP3 5840 56.263 49.830 40.591 1.00 0.00 WT2 O ATOM 32456 H1 TIP3 5840 56.388 50.753 40.810 1.00 0.00 WT2 H ATOM 32457 H2 TIP3 5840 56.377 49.791 39.641 1.00 0.00 WT2 H ATOM 32458 OH2 TIP3 5841 74.952 2.293 -12.120 1.00 0.00 WT2 O ATOM 32459 H1 TIP3 5841 74.521 1.452 -12.275 1.00 0.00 WT2 H ATOM 32460 H2 TIP3 5841 74.459 2.685 -11.399 1.00 0.00 WT2 H ATOM 32461 OH2 TIP3 5843 84.216 5.473 31.828 1.00 0.00 WT2 O ATOM 32462 H1 TIP3 5843 84.284 4.652 32.315 1.00 0.00 WT2 H ATOM 32463 H2 TIP3 5843 83.413 5.879 32.153 1.00 0.00 WT2 H ATOM 32464 OH2 TIP3 5844 37.041 47.989 46.593 1.00 0.00 WT2 O ATOM 32465 H1 TIP3 5844 36.402 48.702 46.627 1.00 0.00 WT2 H ATOM 32466 H2 TIP3 5844 37.057 47.639 47.483 1.00 0.00 WT2 H ATOM 32467 OH2 TIP3 5846 57.379 30.762 43.798 1.00 0.00 WT2 O ATOM 32468 H1 TIP3 5846 57.868 30.555 44.595 1.00 0.00 WT2 H ATOM 32469 H2 TIP3 5846 56.800 31.480 44.052 1.00 0.00 WT2 H ATOM 32470 OH2 TIP3 5859 60.998 15.720 54.962 1.00 0.00 WT2 O ATOM 32471 H1 TIP3 5859 61.751 15.804 55.547 1.00 0.00 WT2 H ATOM 32472 H2 TIP3 5859 60.418 16.439 55.212 1.00 0.00 WT2 H ATOM 32473 OH2 TIP3 5860 45.205 80.905 36.763 1.00 0.00 WT2 O ATOM 32474 H1 TIP3 5860 46.105 80.583 36.813 1.00 0.00 WT2 H ATOM 32475 H2 TIP3 5860 45.034 80.992 35.825 1.00 0.00 WT2 H ATOM 32476 OH2 TIP3 5861 44.527 12.693 36.900 1.00 0.00 WT2 O ATOM 32477 H1 TIP3 5861 44.857 11.878 37.280 1.00 0.00 WT2 H ATOM 32478 H2 TIP3 5861 45.282 13.280 36.899 1.00 0.00 WT2 H ATOM 32479 OH2 TIP3 5862 44.939 81.033 -13.872 1.00 0.00 WT2 O ATOM 32480 H1 TIP3 5862 45.237 80.130 -13.986 1.00 0.00 WT2 H ATOM 32481 H2 TIP3 5862 44.332 80.993 -13.132 1.00 0.00 WT2 H ATOM 32482 OH2 TIP3 5863 58.147 39.479 60.141 1.00 0.00 WT2 O ATOM 32483 H1 TIP3 5863 58.538 38.797 59.593 1.00 0.00 WT2 H ATOM 32484 H2 TIP3 5863 57.282 39.138 60.368 1.00 0.00 WT2 H ATOM 32485 OH2 TIP3 5865 51.753 16.287 66.867 1.00 0.00 WT2 O ATOM 32486 H1 TIP3 5865 52.637 16.633 66.985 1.00 0.00 WT2 H ATOM 32487 H2 TIP3 5865 51.207 17.063 66.739 1.00 0.00 WT2 H ATOM 32488 OH2 TIP3 5866 83.438 86.332 33.558 1.00 0.00 WT2 O ATOM 32489 H1 TIP3 5866 83.280 85.410 33.353 1.00 0.00 WT2 H ATOM 32490 H2 TIP3 5866 82.564 86.703 33.686 1.00 0.00 WT2 H ATOM 32491 OH2 TIP3 5869 43.321 22.580 63.711 1.00 0.00 WT2 O ATOM 32492 H1 TIP3 5869 42.742 22.842 64.427 1.00 0.00 WT2 H ATOM 32493 H2 TIP3 5869 42.986 23.049 62.947 1.00 0.00 WT2 H ATOM 32494 OH2 TIP3 5881 42.464 17.600 32.037 1.00 0.00 WT2 O ATOM 32495 H1 TIP3 5881 42.546 18.554 32.036 1.00 0.00 WT2 H ATOM 32496 H2 TIP3 5881 42.249 17.376 31.132 1.00 0.00 WT2 H ATOM 32497 OH2 TIP3 5883 19.860 51.937 18.607 1.00 0.00 WT2 O ATOM 32498 H1 TIP3 5883 20.719 52.355 18.552 1.00 0.00 WT2 H ATOM 32499 H2 TIP3 5883 20.026 51.017 18.401 1.00 0.00 WT2 H ATOM 32500 OH2 TIP3 5884 58.621 63.304 62.004 1.00 0.00 WT2 O ATOM 32501 H1 TIP3 5884 57.846 63.438 61.457 1.00 0.00 WT2 H ATOM 32502 H2 TIP3 5884 58.271 63.080 62.866 1.00 0.00 WT2 H ATOM 32503 OH2 TIP3 5885 59.982 39.190 49.184 1.00 0.00 WT2 O ATOM 32504 H1 TIP3 5885 59.378 38.556 48.795 1.00 0.00 WT2 H ATOM 32505 H2 TIP3 5885 60.645 39.335 48.509 1.00 0.00 WT2 H ATOM 32506 OH2 TIP3 5886 29.132 73.112 24.138 1.00 0.00 WT2 O ATOM 32507 H1 TIP3 5886 29.245 73.882 24.696 1.00 0.00 WT2 H ATOM 32508 H2 TIP3 5886 29.801 72.497 24.439 1.00 0.00 WT2 H ATOM 32509 OH2 TIP3 5887 70.919 9.835 64.724 1.00 0.00 WT2 O ATOM 32510 H1 TIP3 5887 70.172 10.383 64.964 1.00 0.00 WT2 H ATOM 32511 H2 TIP3 5887 71.564 10.449 64.373 1.00 0.00 WT2 H ATOM 32512 OH2 TIP3 5889 81.834 3.236 35.896 1.00 0.00 WT2 O ATOM 32513 H1 TIP3 5889 81.196 3.134 36.602 1.00 0.00 WT2 H ATOM 32514 H2 TIP3 5889 82.088 2.341 35.671 1.00 0.00 WT2 H ATOM 32515 OH2 TIP3 5899 67.087 26.151 49.882 1.00 0.00 WT2 O ATOM 32516 H1 TIP3 5899 66.384 26.364 49.268 1.00 0.00 WT2 H ATOM 32517 H2 TIP3 5899 67.084 26.873 50.510 1.00 0.00 WT2 H ATOM 32518 OH2 TIP3 5901 34.808 47.374 5.148 1.00 0.00 WT2 O ATOM 32519 H1 TIP3 5901 35.207 47.043 5.953 1.00 0.00 WT2 H ATOM 32520 H2 TIP3 5901 35.550 47.595 4.586 1.00 0.00 WT2 H ATOM 32521 OH2 TIP3 5903 48.268 56.124 52.205 1.00 0.00 WT2 O ATOM 32522 H1 TIP3 5903 47.506 56.050 51.631 1.00 0.00 WT2 H ATOM 32523 H2 TIP3 5903 48.635 56.985 52.007 1.00 0.00 WT2 H ATOM 32524 OH2 TIP3 5904 52.753 60.361 -13.853 1.00 0.00 WT2 O ATOM 32525 H1 TIP3 5904 52.534 59.988 -14.707 1.00 0.00 WT2 H ATOM 32526 H2 TIP3 5904 52.274 61.189 -13.823 1.00 0.00 WT2 H ATOM 32527 OH2 TIP3 5905 57.986 9.252 41.596 1.00 0.00 WT2 O ATOM 32528 H1 TIP3 5905 58.108 9.987 40.995 1.00 0.00 WT2 H ATOM 32529 H2 TIP3 5905 57.949 8.482 41.029 1.00 0.00 WT2 H ATOM 32530 OH2 TIP3 5906 55.449 29.819 59.218 1.00 0.00 WT2 O ATOM 32531 H1 TIP3 5906 55.697 29.964 58.305 1.00 0.00 WT2 H ATOM 32532 H2 TIP3 5906 55.079 30.656 59.502 1.00 0.00 WT2 H ATOM 32533 OH2 TIP3 5909 38.262 35.163 31.613 1.00 0.00 WT2 O ATOM 32534 H1 TIP3 5909 38.789 35.922 31.365 1.00 0.00 WT2 H ATOM 32535 H2 TIP3 5909 38.204 34.640 30.814 1.00 0.00 WT2 H ATOM 32536 OH2 TIP3 5911 21.549 90.035 -18.831 1.00 0.00 WT2 O ATOM 32537 H1 TIP3 5911 20.804 90.538 -19.159 1.00 0.00 WT2 H ATOM 32538 H2 TIP3 5911 21.806 90.484 -18.025 1.00 0.00 WT2 H ATOM 32539 OH2 TIP3 5920 86.297 71.801 4.559 1.00 0.00 WT2 O ATOM 32540 H1 TIP3 5920 85.882 71.191 3.950 1.00 0.00 WT2 H ATOM 32541 H2 TIP3 5920 85.656 71.914 5.261 1.00 0.00 WT2 H ATOM 32542 OH2 TIP3 5925 70.568 18.323 -18.890 1.00 0.00 WT2 O ATOM 32543 H1 TIP3 5925 71.128 18.538 -18.144 1.00 0.00 WT2 H ATOM 32544 H2 TIP3 5925 70.548 17.366 -18.907 1.00 0.00 WT2 H ATOM 32545 OH2 TIP3 5926 60.617 67.648 -2.013 1.00 0.00 WT2 O ATOM 32546 H1 TIP3 5926 59.744 67.956 -1.771 1.00 0.00 WT2 H ATOM 32547 H2 TIP3 5926 60.625 67.678 -2.970 1.00 0.00 WT2 H ATOM 32548 OH2 TIP3 5927 50.652 4.370 52.094 1.00 0.00 WT2 O ATOM 32549 H1 TIP3 5927 50.552 4.434 51.144 1.00 0.00 WT2 H ATOM 32550 H2 TIP3 5927 51.180 5.132 52.332 1.00 0.00 WT2 H ATOM 32551 OH2 TIP3 5928 53.433 38.183 -15.205 1.00 0.00 WT2 O ATOM 32552 H1 TIP3 5928 53.341 38.974 -14.674 1.00 0.00 WT2 H ATOM 32553 H2 TIP3 5928 53.803 38.491 -16.032 1.00 0.00 WT2 H ATOM 32554 OH2 TIP3 5941 63.062 44.632 -16.855 1.00 0.00 WT2 O ATOM 32555 H1 TIP3 5941 63.857 44.421 -16.364 1.00 0.00 WT2 H ATOM 32556 H2 TIP3 5941 62.353 44.524 -16.220 1.00 0.00 WT2 H ATOM 32557 OH2 TIP3 5945 69.896 40.025 -1.396 1.00 0.00 WT2 O ATOM 32558 H1 TIP3 5945 70.561 40.162 -0.722 1.00 0.00 WT2 H ATOM 32559 H2 TIP3 5945 69.064 40.056 -0.923 1.00 0.00 WT2 H ATOM 32560 OH2 TIP3 5946 34.431 38.608 64.744 1.00 0.00 WT2 O ATOM 32561 H1 TIP3 5946 34.373 37.918 65.405 1.00 0.00 WT2 H ATOM 32562 H2 TIP3 5946 34.231 39.414 65.220 1.00 0.00 WT2 H ATOM 32563 OH2 TIP3 5947 43.672 36.724 6.795 1.00 0.00 WT2 O ATOM 32564 H1 TIP3 5947 43.477 37.263 7.561 1.00 0.00 WT2 H ATOM 32565 H2 TIP3 5947 43.518 35.826 7.088 1.00 0.00 WT2 H ATOM 32566 OH2 TIP3 5948 30.737 95.141 9.844 1.00 0.00 WT2 O ATOM 32567 H1 TIP3 5948 30.499 94.858 10.726 1.00 0.00 WT2 H ATOM 32568 H2 TIP3 5948 31.370 95.846 9.981 1.00 0.00 WT2 H ATOM 32569 OH2 TIP3 5949 63.490 87.955 37.658 1.00 0.00 WT2 O ATOM 32570 H1 TIP3 5949 63.401 88.452 38.471 1.00 0.00 WT2 H ATOM 32571 H2 TIP3 5949 63.552 87.043 37.940 1.00 0.00 WT2 H ATOM 32572 OH2 TIP3 5950 83.301 74.495 14.914 1.00 0.00 WT2 O ATOM 32573 H1 TIP3 5950 83.058 73.654 15.301 1.00 0.00 WT2 H ATOM 32574 H2 TIP3 5950 84.149 74.333 14.500 1.00 0.00 WT2 H ATOM 32575 OH2 TIP3 5964 63.279 15.277 62.460 1.00 0.00 WT2 O ATOM 32576 H1 TIP3 5964 62.561 15.856 62.206 1.00 0.00 WT2 H ATOM 32577 H2 TIP3 5964 62.923 14.756 63.180 1.00 0.00 WT2 H ATOM 32578 OH2 TIP3 5965 67.439 17.986 18.622 1.00 0.00 WT2 O ATOM 32579 H1 TIP3 5965 67.033 18.162 17.773 1.00 0.00 WT2 H ATOM 32580 H2 TIP3 5965 67.449 17.031 18.689 1.00 0.00 WT2 H ATOM 32581 OH2 TIP3 5966 85.311 94.967 26.655 1.00 0.00 WT2 O ATOM 32582 H1 TIP3 5966 85.642 95.768 27.060 1.00 0.00 WT2 H ATOM 32583 H2 TIP3 5966 85.068 95.230 25.767 1.00 0.00 WT2 H ATOM 32584 OH2 TIP3 5968 47.726 26.435 33.743 1.00 0.00 WT2 O ATOM 32585 H1 TIP3 5968 48.071 25.953 32.992 1.00 0.00 WT2 H ATOM 32586 H2 TIP3 5968 47.886 27.355 33.533 1.00 0.00 WT2 H ATOM 32587 OH2 TIP3 5969 54.871 37.935 53.346 1.00 0.00 WT2 O ATOM 32588 H1 TIP3 5969 54.402 38.515 52.746 1.00 0.00 WT2 H ATOM 32589 H2 TIP3 5969 54.187 37.394 53.741 1.00 0.00 WT2 H ATOM 32590 OH2 TIP3 5970 74.993 6.920 11.104 1.00 0.00 WT2 O ATOM 32591 H1 TIP3 5970 75.230 7.799 10.806 1.00 0.00 WT2 H ATOM 32592 H2 TIP3 5970 75.186 6.354 10.357 1.00 0.00 WT2 H ATOM 32593 OH2 TIP3 5986 83.247 28.372 16.569 1.00 0.00 WT2 O ATOM 32594 H1 TIP3 5986 82.391 28.276 16.986 1.00 0.00 WT2 H ATOM 32595 H2 TIP3 5986 83.597 29.189 16.922 1.00 0.00 WT2 H ATOM 32596 OH2 TIP3 5987 78.099 52.084 -12.427 1.00 0.00 WT2 O ATOM 32597 H1 TIP3 5987 78.563 52.250 -11.606 1.00 0.00 WT2 H ATOM 32598 H2 TIP3 5987 77.397 51.479 -12.187 1.00 0.00 WT2 H ATOM 32599 OH2 TIP3 5988 53.199 39.175 51.252 1.00 0.00 WT2 O ATOM 32600 H1 TIP3 5988 52.854 38.986 50.380 1.00 0.00 WT2 H ATOM 32601 H2 TIP3 5988 52.440 39.107 51.831 1.00 0.00 WT2 H ATOM 32602 OH2 TIP3 5989 48.807 35.783 51.006 1.00 0.00 WT2 O ATOM 32603 H1 TIP3 5989 49.041 34.858 51.084 1.00 0.00 WT2 H ATOM 32604 H2 TIP3 5989 48.639 35.910 50.072 1.00 0.00 WT2 H ATOM 32605 OH2 TIP3 5990 40.698 37.019 -5.694 1.00 0.00 WT2 O ATOM 32606 H1 TIP3 5990 39.752 37.145 -5.617 1.00 0.00 WT2 H ATOM 32607 H2 TIP3 5990 40.795 36.314 -6.334 1.00 0.00 WT2 H ATOM 32608 OH2 TIP3 5991 61.454 34.385 -15.979 1.00 0.00 WT2 O ATOM 32609 H1 TIP3 5991 61.241 34.891 -15.195 1.00 0.00 WT2 H ATOM 32610 H2 TIP3 5991 60.604 34.173 -16.366 1.00 0.00 WT2 H ATOM 32611 OH2 TIP3 5992 71.980 38.959 -9.402 1.00 0.00 WT2 O ATOM 32612 H1 TIP3 5992 71.202 38.475 -9.680 1.00 0.00 WT2 H ATOM 32613 H2 TIP3 5992 71.636 39.760 -9.007 1.00 0.00 WT2 H ATOM 32614 OH2 TIP3 5994 78.888 26.657 53.387 1.00 0.00 WT2 O ATOM 32615 H1 TIP3 5994 78.093 26.172 53.167 1.00 0.00 WT2 H ATOM 32616 H2 TIP3 5994 79.595 26.154 52.984 1.00 0.00 WT2 H ATOM 32617 OH2 TIP3 6006 35.188 43.934 44.596 1.00 0.00 WT2 O ATOM 32618 H1 TIP3 6006 34.336 43.514 44.479 1.00 0.00 WT2 H ATOM 32619 H2 TIP3 6006 35.001 44.713 45.120 1.00 0.00 WT2 H ATOM 32620 OH2 TIP3 6009 48.064 33.587 1.460 1.00 0.00 WT2 O ATOM 32621 H1 TIP3 6009 47.684 32.809 1.053 1.00 0.00 WT2 H ATOM 32622 H2 TIP3 6009 47.363 34.238 1.436 1.00 0.00 WT2 H ATOM 32623 OH2 TIP3 6011 83.017 58.629 29.551 1.00 0.00 WT2 O ATOM 32624 H1 TIP3 6011 82.110 58.700 29.253 1.00 0.00 WT2 H ATOM 32625 H2 TIP3 6011 83.485 59.304 29.060 1.00 0.00 WT2 H ATOM 32626 OH2 TIP3 6013 36.191 35.717 -7.675 1.00 0.00 WT2 O ATOM 32627 H1 TIP3 6013 35.293 35.738 -7.344 1.00 0.00 WT2 H ATOM 32628 H2 TIP3 6013 36.645 36.401 -7.181 1.00 0.00 WT2 H ATOM 32629 OH2 TIP3 6014 82.681 84.249 17.774 1.00 0.00 WT2 O ATOM 32630 H1 TIP3 6014 83.039 83.424 18.102 1.00 0.00 WT2 H ATOM 32631 H2 TIP3 6014 83.335 84.564 17.151 1.00 0.00 WT2 H ATOM 32632 OH2 TIP3 6019 55.445 25.335 58.214 1.00 0.00 WT2 O ATOM 32633 H1 TIP3 6019 55.051 25.518 57.361 1.00 0.00 WT2 H ATOM 32634 H2 TIP3 6019 54.870 25.772 58.842 1.00 0.00 WT2 H ATOM 32635 OH2 TIP3 6027 58.604 14.936 -13.159 1.00 0.00 WT2 O ATOM 32636 H1 TIP3 6027 59.072 14.365 -13.768 1.00 0.00 WT2 H ATOM 32637 H2 TIP3 6027 59.075 15.769 -13.202 1.00 0.00 WT2 H ATOM 32638 OH2 TIP3 6028 28.020 48.608 9.363 1.00 0.00 WT2 O ATOM 32639 H1 TIP3 6028 28.310 49.107 10.127 1.00 0.00 WT2 H ATOM 32640 H2 TIP3 6028 28.594 48.900 8.655 1.00 0.00 WT2 H ATOM 32641 OH2 TIP3 6029 64.873 32.241 15.626 1.00 0.00 WT2 O ATOM 32642 H1 TIP3 6029 64.212 32.901 15.415 1.00 0.00 WT2 H ATOM 32643 H2 TIP3 6029 64.880 32.205 16.582 1.00 0.00 WT2 H ATOM 32644 OH2 TIP3 6030 78.307 65.962 64.008 1.00 0.00 WT2 O ATOM 32645 H1 TIP3 6030 77.568 65.506 63.605 1.00 0.00 WT2 H ATOM 32646 H2 TIP3 6030 78.730 65.298 64.553 1.00 0.00 WT2 H ATOM 32647 OH2 TIP3 6031 40.687 95.582 -1.625 1.00 0.00 WT2 O ATOM 32648 H1 TIP3 6031 40.164 94.789 -1.738 1.00 0.00 WT2 H ATOM 32649 H2 TIP3 6031 41.090 95.483 -0.763 1.00 0.00 WT2 H ATOM 32650 OH2 TIP3 6034 35.473 39.865 15.007 1.00 0.00 WT2 O ATOM 32651 H1 TIP3 6034 36.370 39.956 15.328 1.00 0.00 WT2 H ATOM 32652 H2 TIP3 6034 35.443 38.988 14.624 1.00 0.00 WT2 H ATOM 32653 OH2 TIP3 6035 43.675 55.262 49.085 1.00 0.00 WT2 O ATOM 32654 H1 TIP3 6035 43.796 54.328 49.255 1.00 0.00 WT2 H ATOM 32655 H2 TIP3 6035 44.009 55.390 48.197 1.00 0.00 WT2 H ATOM 32656 OH2 TIP3 6036 80.075 34.803 -17.180 1.00 0.00 WT2 O ATOM 32657 H1 TIP3 6036 80.791 35.438 -17.197 1.00 0.00 WT2 H ATOM 32658 H2 TIP3 6036 80.034 34.511 -16.269 1.00 0.00 WT2 H ATOM 32659 OH2 TIP3 6037 72.886 24.036 38.235 1.00 0.00 WT2 O ATOM 32660 H1 TIP3 6037 73.451 24.792 38.078 1.00 0.00 WT2 H ATOM 32661 H2 TIP3 6037 72.569 23.789 37.366 1.00 0.00 WT2 H ATOM 32662 OH2 TIP3 6046 70.323 62.585 40.163 1.00 0.00 WT2 O ATOM 32663 H1 TIP3 6046 69.475 62.926 40.446 1.00 0.00 WT2 H ATOM 32664 H2 TIP3 6046 70.403 62.867 39.252 1.00 0.00 WT2 H ATOM 32665 OH2 TIP3 6048 43.842 41.192 63.041 1.00 0.00 WT2 O ATOM 32666 H1 TIP3 6048 44.459 41.283 63.767 1.00 0.00 WT2 H ATOM 32667 H2 TIP3 6048 43.851 40.258 62.834 1.00 0.00 WT2 H ATOM 32668 OH2 TIP3 6049 26.522 45.053 38.059 1.00 0.00 WT2 O ATOM 32669 H1 TIP3 6049 27.091 45.638 37.559 1.00 0.00 WT2 H ATOM 32670 H2 TIP3 6049 26.333 44.331 37.459 1.00 0.00 WT2 H ATOM 32671 OH2 TIP3 6051 22.413 23.997 51.825 1.00 0.00 WT2 O ATOM 32672 H1 TIP3 6051 21.728 23.345 51.674 1.00 0.00 WT2 H ATOM 32673 H2 TIP3 6051 23.151 23.495 52.170 1.00 0.00 WT2 H ATOM 32674 OH2 TIP3 6054 30.470 34.139 60.959 1.00 0.00 WT2 O ATOM 32675 H1 TIP3 6054 31.241 34.044 60.399 1.00 0.00 WT2 H ATOM 32676 H2 TIP3 6054 29.959 33.345 60.801 1.00 0.00 WT2 H ATOM 32677 OH2 TIP3 6068 56.795 56.621 54.653 1.00 0.00 WT2 O ATOM 32678 H1 TIP3 6068 56.155 57.266 54.953 1.00 0.00 WT2 H ATOM 32679 H2 TIP3 6068 56.736 56.652 53.698 1.00 0.00 WT2 H ATOM 32680 OH2 TIP3 6070 85.318 76.122 8.184 1.00 0.00 WT2 O ATOM 32681 H1 TIP3 6070 84.728 75.493 7.768 1.00 0.00 WT2 H ATOM 32682 H2 TIP3 6070 86.106 75.617 8.383 1.00 0.00 WT2 H ATOM 32683 OH2 TIP3 6072 57.502 14.466 50.732 1.00 0.00 WT2 O ATOM 32684 H1 TIP3 6072 56.558 14.350 50.845 1.00 0.00 WT2 H ATOM 32685 H2 TIP3 6072 57.777 14.963 51.502 1.00 0.00 WT2 H ATOM 32686 OH2 TIP3 6073 50.401 32.254 41.093 1.00 0.00 WT2 O ATOM 32687 H1 TIP3 6073 49.920 31.807 40.397 1.00 0.00 WT2 H ATOM 32688 H2 TIP3 6073 50.763 33.033 40.671 1.00 0.00 WT2 H ATOM 32689 OH2 TIP3 6074 36.494 31.083 -8.394 1.00 0.00 WT2 O ATOM 32690 H1 TIP3 6074 36.955 30.865 -9.204 1.00 0.00 WT2 H ATOM 32691 H2 TIP3 6074 36.431 30.253 -7.922 1.00 0.00 WT2 H ATOM 32692 OH2 TIP3 6075 54.377 82.297 -19.471 1.00 0.00 WT2 O ATOM 32693 H1 TIP3 6075 55.108 81.701 -19.311 1.00 0.00 WT2 H ATOM 32694 H2 TIP3 6075 53.704 82.024 -18.848 1.00 0.00 WT2 H ATOM 32695 OH2 TIP3 6077 64.379 96.109 -7.392 1.00 0.00 WT2 O ATOM 32696 H1 TIP3 6077 64.765 95.348 -7.826 1.00 0.00 WT2 H ATOM 32697 H2 TIP3 6077 64.764 96.862 -7.841 1.00 0.00 WT2 H ATOM 32698 OH2 TIP3 6079 76.713 21.557 58.230 1.00 0.00 WT2 O ATOM 32699 H1 TIP3 6079 77.604 21.260 58.044 1.00 0.00 WT2 H ATOM 32700 H2 TIP3 6079 76.245 21.441 57.403 1.00 0.00 WT2 H ATOM 32701 OH2 TIP3 6090 59.017 86.915 58.533 1.00 0.00 WT2 O ATOM 32702 H1 TIP3 6090 58.147 86.830 58.922 1.00 0.00 WT2 H ATOM 32703 H2 TIP3 6090 59.463 86.100 58.761 1.00 0.00 WT2 H ATOM 32704 OH2 TIP3 6091 71.943 93.839 20.293 1.00 0.00 WT2 O ATOM 32705 H1 TIP3 6091 71.676 94.537 20.891 1.00 0.00 WT2 H ATOM 32706 H2 TIP3 6091 71.444 94.004 19.493 1.00 0.00 WT2 H ATOM 32707 OH2 TIP3 6093 79.593 35.945 -19.698 1.00 0.00 WT2 O ATOM 32708 H1 TIP3 6093 80.471 36.159 -20.014 1.00 0.00 WT2 H ATOM 32709 H2 TIP3 6093 79.715 35.745 -18.770 1.00 0.00 WT2 H ATOM 32710 OH2 TIP3 6095 86.487 58.327 18.013 1.00 0.00 WT2 O ATOM 32711 H1 TIP3 6095 86.649 58.620 17.116 1.00 0.00 WT2 H ATOM 32712 H2 TIP3 6095 86.514 59.129 18.536 1.00 0.00 WT2 H ATOM 32713 OH2 TIP3 6096 80.998 47.228 -12.432 1.00 0.00 WT2 O ATOM 32714 H1 TIP3 6096 81.752 47.770 -12.200 1.00 0.00 WT2 H ATOM 32715 H2 TIP3 6096 80.410 47.301 -11.680 1.00 0.00 WT2 H ATOM 32716 OH2 TIP3 6097 22.382 59.803 28.646 1.00 0.00 WT2 O ATOM 32717 H1 TIP3 6097 22.169 60.400 29.364 1.00 0.00 WT2 H ATOM 32718 H2 TIP3 6097 23.339 59.775 28.635 1.00 0.00 WT2 H ATOM 32719 OH2 TIP3 6098 44.406 37.175 24.635 1.00 0.00 WT2 O ATOM 32720 H1 TIP3 6098 43.799 36.689 24.076 1.00 0.00 WT2 H ATOM 32721 H2 TIP3 6098 44.968 37.649 24.022 1.00 0.00 WT2 H ATOM 32722 OH2 TIP3 6100 70.805 41.069 -8.202 1.00 0.00 WT2 O ATOM 32723 H1 TIP3 6100 70.030 41.358 -8.684 1.00 0.00 WT2 H ATOM 32724 H2 TIP3 6100 70.765 41.548 -7.374 1.00 0.00 WT2 H ATOM 32725 OH2 TIP3 6102 44.961 44.794 37.639 1.00 0.00 WT2 O ATOM 32726 H1 TIP3 6102 45.085 45.720 37.431 1.00 0.00 WT2 H ATOM 32727 H2 TIP3 6102 44.273 44.788 38.305 1.00 0.00 WT2 H ATOM 32728 OH2 TIP3 6110 43.371 24.295 50.597 1.00 0.00 WT2 O ATOM 32729 H1 TIP3 6110 42.794 24.754 51.207 1.00 0.00 WT2 H ATOM 32730 H2 TIP3 6110 43.253 24.752 49.765 1.00 0.00 WT2 H ATOM 32731 OH2 TIP3 6112 78.317 11.451 -15.497 1.00 0.00 WT2 O ATOM 32732 H1 TIP3 6112 78.958 11.182 -16.155 1.00 0.00 WT2 H ATOM 32733 H2 TIP3 6112 78.708 11.194 -14.662 1.00 0.00 WT2 H ATOM 32734 OH2 TIP3 6113 86.794 25.572 10.058 1.00 0.00 WT2 O ATOM 32735 H1 TIP3 6113 86.174 26.046 10.612 1.00 0.00 WT2 H ATOM 32736 H2 TIP3 6113 86.823 26.076 9.245 1.00 0.00 WT2 H ATOM 32737 OH2 TIP3 6115 51.574 46.481 -17.546 1.00 0.00 WT2 O ATOM 32738 H1 TIP3 6115 51.174 46.121 -16.754 1.00 0.00 WT2 H ATOM 32739 H2 TIP3 6115 51.662 47.417 -17.367 1.00 0.00 WT2 H ATOM 32740 OH2 TIP3 6116 85.888 5.968 65.222 1.00 0.00 WT2 O ATOM 32741 H1 TIP3 6116 85.738 6.901 65.374 1.00 0.00 WT2 H ATOM 32742 H2 TIP3 6116 86.804 5.831 65.461 1.00 0.00 WT2 H ATOM 32743 OH2 TIP3 6117 59.488 36.852 -0.774 1.00 0.00 WT2 O ATOM 32744 H1 TIP3 6117 59.345 37.798 -0.748 1.00 0.00 WT2 H ATOM 32745 H2 TIP3 6117 59.475 36.583 0.144 1.00 0.00 WT2 H ATOM 32746 OH2 TIP3 6120 60.357 62.107 41.428 1.00 0.00 WT2 O ATOM 32747 H1 TIP3 6120 60.012 62.930 41.775 1.00 0.00 WT2 H ATOM 32748 H2 TIP3 6120 59.611 61.701 40.987 1.00 0.00 WT2 H ATOM 32749 OH2 TIP3 6132 87.462 77.459 37.625 1.00 0.00 WT2 O ATOM 32750 H1 TIP3 6132 87.550 77.099 36.743 1.00 0.00 WT2 H ATOM 32751 H2 TIP3 6132 86.810 78.153 37.538 1.00 0.00 WT2 H ATOM 32752 OH2 TIP3 6133 55.639 57.717 -16.183 1.00 0.00 WT2 O ATOM 32753 H1 TIP3 6133 54.695 57.753 -16.339 1.00 0.00 WT2 H ATOM 32754 H2 TIP3 6133 55.958 58.581 -16.445 1.00 0.00 WT2 H ATOM 32755 OH2 TIP3 6134 80.148 95.581 53.423 1.00 0.00 WT2 O ATOM 32756 H1 TIP3 6134 79.194 95.662 53.450 1.00 0.00 WT2 H ATOM 32757 H2 TIP3 6134 80.429 95.761 54.320 1.00 0.00 WT2 H ATOM 32758 OH2 TIP3 6136 82.250 75.387 -13.413 1.00 0.00 WT2 O ATOM 32759 H1 TIP3 6136 83.192 75.548 -13.356 1.00 0.00 WT2 H ATOM 32760 H2 TIP3 6136 81.943 75.997 -14.084 1.00 0.00 WT2 H ATOM 32761 OH2 TIP3 6137 60.049 6.415 -17.639 1.00 0.00 WT2 O ATOM 32762 H1 TIP3 6137 60.111 5.462 -17.693 1.00 0.00 WT2 H ATOM 32763 H2 TIP3 6137 60.488 6.729 -18.430 1.00 0.00 WT2 H ATOM 32764 OH2 TIP3 6138 64.409 15.723 -4.463 1.00 0.00 WT2 O ATOM 32765 H1 TIP3 6138 63.757 16.029 -3.832 1.00 0.00 WT2 H ATOM 32766 H2 TIP3 6138 64.716 16.519 -4.896 1.00 0.00 WT2 H ATOM 32767 OH2 TIP3 6141 52.219 78.882 54.994 1.00 0.00 WT2 O ATOM 32768 H1 TIP3 6141 51.468 78.434 54.606 1.00 0.00 WT2 H ATOM 32769 H2 TIP3 6141 51.905 79.181 55.847 1.00 0.00 WT2 H ATOM 32770 OH2 TIP3 6155 42.676 88.387 67.663 1.00 0.00 WT2 O ATOM 32771 H1 TIP3 6155 42.316 89.055 67.079 1.00 0.00 WT2 H ATOM 32772 H2 TIP3 6155 42.777 87.613 67.109 1.00 0.00 WT2 H ATOM 32773 OH2 TIP3 6158 41.068 36.039 50.318 1.00 0.00 WT2 O ATOM 32774 H1 TIP3 6158 41.304 35.174 50.654 1.00 0.00 WT2 H ATOM 32775 H2 TIP3 6158 40.311 35.879 49.755 1.00 0.00 WT2 H ATOM 32776 OH2 TIP3 6159 63.728 9.503 55.661 1.00 0.00 WT2 O ATOM 32777 H1 TIP3 6159 63.176 8.934 56.197 1.00 0.00 WT2 H ATOM 32778 H2 TIP3 6159 63.279 10.348 55.667 1.00 0.00 WT2 H ATOM 32779 OH2 TIP3 6160 33.503 4.902 39.731 1.00 0.00 WT2 O ATOM 32780 H1 TIP3 6160 33.623 5.803 40.030 1.00 0.00 WT2 H ATOM 32781 H2 TIP3 6160 34.389 4.542 39.694 1.00 0.00 WT2 H ATOM 32782 OH2 TIP3 6162 22.168 49.404 30.063 1.00 0.00 WT2 O ATOM 32783 H1 TIP3 6162 21.221 49.353 30.198 1.00 0.00 WT2 H ATOM 32784 H2 TIP3 6162 22.266 49.823 29.208 1.00 0.00 WT2 H ATOM 32785 OH2 TIP3 6176 88.164 54.294 39.981 1.00 0.00 WT2 O ATOM 32786 H1 TIP3 6176 88.366 54.718 39.147 1.00 0.00 WT2 H ATOM 32787 H2 TIP3 6176 88.762 54.700 40.608 1.00 0.00 WT2 H ATOM 32788 OH2 TIP3 6177 58.188 23.297 46.073 1.00 0.00 WT2 O ATOM 32789 H1 TIP3 6177 58.017 22.611 46.719 1.00 0.00 WT2 H ATOM 32790 H2 TIP3 6177 57.635 23.067 45.327 1.00 0.00 WT2 H ATOM 32791 OH2 TIP3 6178 67.338 32.176 38.047 1.00 0.00 WT2 O ATOM 32792 H1 TIP3 6178 67.382 33.122 37.907 1.00 0.00 WT2 H ATOM 32793 H2 TIP3 6178 66.682 32.065 38.734 1.00 0.00 WT2 H ATOM 32794 OH2 TIP3 6181 62.410 85.964 55.666 1.00 0.00 WT2 O ATOM 32795 H1 TIP3 6181 62.164 85.082 55.942 1.00 0.00 WT2 H ATOM 32796 H2 TIP3 6181 63.089 85.829 55.005 1.00 0.00 WT2 H ATOM 32797 OH2 TIP3 6182 36.512 88.353 26.050 1.00 0.00 WT2 O ATOM 32798 H1 TIP3 6182 37.222 88.100 25.459 1.00 0.00 WT2 H ATOM 32799 H2 TIP3 6182 35.926 87.597 26.059 1.00 0.00 WT2 H ATOM 32800 OH2 TIP3 6183 42.840 5.634 42.459 1.00 0.00 WT2 O ATOM 32801 H1 TIP3 6183 42.650 4.921 43.069 1.00 0.00 WT2 H ATOM 32802 H2 TIP3 6183 43.769 5.822 42.592 1.00 0.00 WT2 H ATOM 32803 OH2 TIP3 6190 86.564 57.637 -3.169 1.00 0.00 WT2 O ATOM 32804 H1 TIP3 6190 87.120 57.213 -2.515 1.00 0.00 WT2 H ATOM 32805 H2 TIP3 6190 86.035 58.257 -2.668 1.00 0.00 WT2 H ATOM 32806 OH2 TIP3 6195 35.432 58.044 49.087 1.00 0.00 WT2 O ATOM 32807 H1 TIP3 6195 35.806 58.192 49.956 1.00 0.00 WT2 H ATOM 32808 H2 TIP3 6195 36.131 58.289 48.480 1.00 0.00 WT2 H ATOM 32809 OH2 TIP3 6197 74.710 83.105 -14.256 1.00 0.00 WT2 O ATOM 32810 H1 TIP3 6197 75.514 82.996 -14.765 1.00 0.00 WT2 H ATOM 32811 H2 TIP3 6197 74.567 84.051 -14.233 1.00 0.00 WT2 H ATOM 32812 OH2 TIP3 6198 53.963 1.809 52.478 1.00 0.00 WT2 O ATOM 32813 H1 TIP3 6198 53.642 0.939 52.238 1.00 0.00 WT2 H ATOM 32814 H2 TIP3 6198 53.380 2.094 53.182 1.00 0.00 WT2 H ATOM 32815 OH2 TIP3 6200 87.046 74.627 -15.169 1.00 0.00 WT2 O ATOM 32816 H1 TIP3 6200 86.460 75.364 -14.998 1.00 0.00 WT2 H ATOM 32817 H2 TIP3 6200 86.989 74.087 -14.380 1.00 0.00 WT2 H ATOM 32818 OH2 TIP3 6201 33.721 60.196 48.268 1.00 0.00 WT2 O ATOM 32819 H1 TIP3 6201 34.045 59.605 48.948 1.00 0.00 WT2 H ATOM 32820 H2 TIP3 6201 34.495 60.411 47.748 1.00 0.00 WT2 H ATOM 32821 OH2 TIP3 6215 21.309 80.247 32.871 1.00 0.00 WT2 O ATOM 32822 H1 TIP3 6215 21.127 79.725 32.090 1.00 0.00 WT2 H ATOM 32823 H2 TIP3 6215 21.466 81.131 32.538 1.00 0.00 WT2 H ATOM 32824 OH2 TIP3 6216 61.673 83.760 8.586 1.00 0.00 WT2 O ATOM 32825 H1 TIP3 6216 61.249 84.043 7.776 1.00 0.00 WT2 H ATOM 32826 H2 TIP3 6216 60.961 83.706 9.224 1.00 0.00 WT2 H ATOM 32827 OH2 TIP3 6218 77.014 30.386 59.018 1.00 0.00 WT2 O ATOM 32828 H1 TIP3 6218 77.666 30.670 58.377 1.00 0.00 WT2 H ATOM 32829 H2 TIP3 6218 77.272 29.493 59.244 1.00 0.00 WT2 H ATOM 32830 OH2 TIP3 6219 81.448 14.941 54.349 1.00 0.00 WT2 O ATOM 32831 H1 TIP3 6219 80.761 14.552 53.808 1.00 0.00 WT2 H ATOM 32832 H2 TIP3 6219 82.212 14.981 53.774 1.00 0.00 WT2 H ATOM 32833 OH2 TIP3 6220 62.535 72.385 -11.857 1.00 0.00 WT2 O ATOM 32834 H1 TIP3 6220 63.311 72.234 -11.318 1.00 0.00 WT2 H ATOM 32835 H2 TIP3 6220 61.859 72.654 -11.234 1.00 0.00 WT2 H ATOM 32836 OH2 TIP3 6221 29.462 11.097 5.001 1.00 0.00 WT2 O ATOM 32837 H1 TIP3 6221 29.530 11.875 4.447 1.00 0.00 WT2 H ATOM 32838 H2 TIP3 6221 30.339 10.989 5.371 1.00 0.00 WT2 H ATOM 32839 OH2 TIP3 6225 39.237 6.644 63.463 1.00 0.00 WT2 O ATOM 32840 H1 TIP3 6225 39.297 5.697 63.338 1.00 0.00 WT2 H ATOM 32841 H2 TIP3 6225 40.072 6.982 63.141 1.00 0.00 WT2 H ATOM 32842 OH2 TIP3 6238 52.430 74.969 2.185 1.00 0.00 WT2 O ATOM 32843 H1 TIP3 6238 52.672 75.626 2.839 1.00 0.00 WT2 H ATOM 32844 H2 TIP3 6238 52.535 74.132 2.636 1.00 0.00 WT2 H ATOM 32845 OH2 TIP3 6240 52.782 86.004 -10.869 1.00 0.00 WT2 O ATOM 32846 H1 TIP3 6240 52.860 85.057 -10.988 1.00 0.00 WT2 H ATOM 32847 H2 TIP3 6240 51.882 86.205 -11.124 1.00 0.00 WT2 H ATOM 32848 OH2 TIP3 6241 33.694 82.393 60.292 1.00 0.00 WT2 O ATOM 32849 H1 TIP3 6241 32.991 82.039 60.837 1.00 0.00 WT2 H ATOM 32850 H2 TIP3 6241 33.539 83.337 60.283 1.00 0.00 WT2 H ATOM 32851 OH2 TIP3 6242 88.279 62.829 -1.196 1.00 0.00 WT2 O ATOM 32852 H1 TIP3 6242 88.397 63.090 -0.283 1.00 0.00 WT2 H ATOM 32853 H2 TIP3 6242 88.090 61.892 -1.155 1.00 0.00 WT2 H ATOM 32854 OH2 TIP3 6243 29.658 15.465 58.027 1.00 0.00 WT2 O ATOM 32855 H1 TIP3 6243 30.491 15.859 58.284 1.00 0.00 WT2 H ATOM 32856 H2 TIP3 6243 29.043 16.198 58.004 1.00 0.00 WT2 H ATOM 32857 OH2 TIP3 6245 24.471 82.123 -9.898 1.00 0.00 WT2 O ATOM 32858 H1 TIP3 6245 24.385 82.900 -10.451 1.00 0.00 WT2 H ATOM 32859 H2 TIP3 6245 25.131 81.587 -10.338 1.00 0.00 WT2 H ATOM 32860 OH2 TIP3 6246 76.360 75.127 37.686 1.00 0.00 WT2 O ATOM 32861 H1 TIP3 6246 75.638 75.035 37.064 1.00 0.00 WT2 H ATOM 32862 H2 TIP3 6246 77.111 74.735 37.242 1.00 0.00 WT2 H ATOM 32863 OH2 TIP3 6256 27.506 57.113 -3.626 1.00 0.00 WT2 O ATOM 32864 H1 TIP3 6256 27.141 57.732 -2.994 1.00 0.00 WT2 H ATOM 32865 H2 TIP3 6256 27.274 56.251 -3.279 1.00 0.00 WT2 H ATOM 32866 OH2 TIP3 6258 48.500 58.632 -17.207 1.00 0.00 WT2 O ATOM 32867 H1 TIP3 6258 48.410 59.580 -17.302 1.00 0.00 WT2 H ATOM 32868 H2 TIP3 6258 49.170 58.521 -16.532 1.00 0.00 WT2 H ATOM 32869 OH2 TIP3 6259 65.007 96.245 48.082 1.00 0.00 WT2 O ATOM 32870 H1 TIP3 6259 64.455 95.547 47.729 1.00 0.00 WT2 H ATOM 32871 H2 TIP3 6259 65.001 96.101 49.028 1.00 0.00 WT2 H ATOM 32872 OH2 TIP3 6261 21.555 21.516 64.485 1.00 0.00 WT2 O ATOM 32873 H1 TIP3 6261 21.980 20.676 64.314 1.00 0.00 WT2 H ATOM 32874 H2 TIP3 6261 20.618 21.321 64.458 1.00 0.00 WT2 H ATOM 32875 OH2 TIP3 6263 37.490 43.968 52.896 1.00 0.00 WT2 O ATOM 32876 H1 TIP3 6263 38.334 43.568 52.683 1.00 0.00 WT2 H ATOM 32877 H2 TIP3 6263 37.716 44.746 53.405 1.00 0.00 WT2 H ATOM 32878 OH2 TIP3 6264 63.989 58.689 23.242 1.00 0.00 WT2 O ATOM 32879 H1 TIP3 6264 64.018 58.677 22.285 1.00 0.00 WT2 H ATOM 32880 H2 TIP3 6264 63.093 58.432 23.459 1.00 0.00 WT2 H ATOM 32881 OH2 TIP3 6269 34.558 41.343 50.965 1.00 0.00 WT2 O ATOM 32882 H1 TIP3 6269 35.250 41.731 50.429 1.00 0.00 WT2 H ATOM 32883 H2 TIP3 6269 33.777 41.381 50.413 1.00 0.00 WT2 H ATOM 32884 OH2 TIP3 6281 36.481 91.187 55.001 1.00 0.00 WT2 O ATOM 32885 H1 TIP3 6281 37.309 90.810 55.299 1.00 0.00 WT2 H ATOM 32886 H2 TIP3 6281 36.257 90.686 54.217 1.00 0.00 WT2 H ATOM 32887 OH2 TIP3 6283 60.686 68.399 52.196 1.00 0.00 WT2 O ATOM 32888 H1 TIP3 6283 60.092 68.055 52.863 1.00 0.00 WT2 H ATOM 32889 H2 TIP3 6283 60.540 67.838 51.434 1.00 0.00 WT2 H ATOM 32890 OH2 TIP3 6284 64.378 68.071 42.060 1.00 0.00 WT2 O ATOM 32891 H1 TIP3 6284 64.331 69.006 41.860 1.00 0.00 WT2 H ATOM 32892 H2 TIP3 6284 64.738 67.674 41.267 1.00 0.00 WT2 H ATOM 32893 OH2 TIP3 6285 58.245 39.258 64.582 1.00 0.00 WT2 O ATOM 32894 H1 TIP3 6285 57.706 39.608 65.292 1.00 0.00 WT2 H ATOM 32895 H2 TIP3 6285 59.143 39.471 64.836 1.00 0.00 WT2 H ATOM 32896 OH2 TIP3 6286 63.931 82.320 8.661 1.00 0.00 WT2 O ATOM 32897 H1 TIP3 6286 63.616 81.549 8.191 1.00 0.00 WT2 H ATOM 32898 H2 TIP3 6286 63.185 82.919 8.669 1.00 0.00 WT2 H ATOM 32899 OH2 TIP3 6288 40.589 46.606 -8.193 1.00 0.00 WT2 O ATOM 32900 H1 TIP3 6288 41.412 46.886 -7.792 1.00 0.00 WT2 H ATOM 32901 H2 TIP3 6288 39.909 47.021 -7.661 1.00 0.00 WT2 H ATOM 32902 OH2 TIP3 6297 20.510 34.177 50.052 1.00 0.00 WT2 O ATOM 32903 H1 TIP3 6297 21.194 34.826 49.888 1.00 0.00 WT2 H ATOM 32904 H2 TIP3 6297 19.794 34.678 50.443 1.00 0.00 WT2 H ATOM 32905 OH2 TIP3 6300 38.214 16.325 34.281 1.00 0.00 WT2 O ATOM 32906 H1 TIP3 6300 37.376 16.704 34.545 1.00 0.00 WT2 H ATOM 32907 H2 TIP3 6300 38.838 17.047 34.356 1.00 0.00 WT2 H ATOM 32908 OH2 TIP3 6302 82.984 59.263 32.250 1.00 0.00 WT2 O ATOM 32909 H1 TIP3 6302 83.031 58.694 31.482 1.00 0.00 WT2 H ATOM 32910 H2 TIP3 6302 82.742 60.121 31.899 1.00 0.00 WT2 H ATOM 32911 OH2 TIP3 6303 64.753 8.035 18.072 1.00 0.00 WT2 O ATOM 32912 H1 TIP3 6303 65.374 8.759 17.998 1.00 0.00 WT2 H ATOM 32913 H2 TIP3 6303 64.694 7.677 17.186 1.00 0.00 WT2 H ATOM 32914 OH2 TIP3 6305 28.316 14.716 27.089 1.00 0.00 WT2 O ATOM 32915 H1 TIP3 6305 28.608 15.137 27.898 1.00 0.00 WT2 H ATOM 32916 H2 TIP3 6305 28.946 15.005 26.428 1.00 0.00 WT2 H ATOM 32917 OH2 TIP3 6309 79.736 22.839 -14.666 1.00 0.00 WT2 O ATOM 32918 H1 TIP3 6309 80.649 23.126 -14.690 1.00 0.00 WT2 H ATOM 32919 H2 TIP3 6309 79.785 21.900 -14.485 1.00 0.00 WT2 H ATOM 32920 OH2 TIP3 6311 57.660 19.737 18.014 1.00 0.00 WT2 O ATOM 32921 H1 TIP3 6311 57.855 20.673 17.973 1.00 0.00 WT2 H ATOM 32922 H2 TIP3 6311 56.744 19.695 18.288 1.00 0.00 WT2 H ATOM 32923 OH2 TIP3 6319 72.728 67.022 63.793 1.00 0.00 WT2 O ATOM 32924 H1 TIP3 6319 72.613 66.562 64.624 1.00 0.00 WT2 H ATOM 32925 H2 TIP3 6319 72.559 67.941 64.002 1.00 0.00 WT2 H ATOM 32926 OH2 TIP3 6321 24.939 69.674 65.818 1.00 0.00 WT2 O ATOM 32927 H1 TIP3 6321 25.761 69.546 66.292 1.00 0.00 WT2 H ATOM 32928 H2 TIP3 6321 24.849 68.890 65.277 1.00 0.00 WT2 H ATOM 32929 OH2 TIP3 6322 80.683 63.733 -3.226 1.00 0.00 WT2 O ATOM 32930 H1 TIP3 6322 81.358 63.329 -2.682 1.00 0.00 WT2 H ATOM 32931 H2 TIP3 6322 80.907 63.472 -4.120 1.00 0.00 WT2 H ATOM 32932 OH2 TIP3 6323 53.843 95.091 55.956 1.00 0.00 WT2 O ATOM 32933 H1 TIP3 6323 53.039 94.573 55.926 1.00 0.00 WT2 H ATOM 32934 H2 TIP3 6323 53.622 95.844 56.505 1.00 0.00 WT2 H ATOM 32935 OH2 TIP3 6324 44.408 23.616 -18.739 1.00 0.00 WT2 O ATOM 32936 H1 TIP3 6324 44.006 23.817 -19.584 1.00 0.00 WT2 H ATOM 32937 H2 TIP3 6324 43.681 23.315 -18.193 1.00 0.00 WT2 H ATOM 32938 OH2 TIP3 6325 26.834 17.191 37.868 1.00 0.00 WT2 O ATOM 32939 H1 TIP3 6325 26.920 18.138 37.974 1.00 0.00 WT2 H ATOM 32940 H2 TIP3 6325 27.617 16.931 37.384 1.00 0.00 WT2 H ATOM 32941 OH2 TIP3 6326 21.663 63.803 36.237 1.00 0.00 WT2 O ATOM 32942 H1 TIP3 6326 21.670 64.192 37.111 1.00 0.00 WT2 H ATOM 32943 H2 TIP3 6326 20.942 64.241 35.785 1.00 0.00 WT2 H ATOM 32944 OH2 TIP3 6328 77.698 90.760 15.058 1.00 0.00 WT2 O ATOM 32945 H1 TIP3 6328 78.273 90.625 15.811 1.00 0.00 WT2 H ATOM 32946 H2 TIP3 6328 78.160 90.350 14.327 1.00 0.00 WT2 H ATOM 32947 OH2 TIP3 6329 59.298 19.461 -6.398 1.00 0.00 WT2 O ATOM 32948 H1 TIP3 6329 59.887 19.250 -5.674 1.00 0.00 WT2 H ATOM 32949 H2 TIP3 6329 59.119 20.396 -6.297 1.00 0.00 WT2 H ATOM 32950 OH2 TIP3 6341 39.062 63.091 61.176 1.00 0.00 WT2 O ATOM 32951 H1 TIP3 6341 38.680 62.371 61.678 1.00 0.00 WT2 H ATOM 32952 H2 TIP3 6341 39.700 62.670 60.599 1.00 0.00 WT2 H ATOM 32953 OH2 TIP3 6345 42.558 8.608 32.877 1.00 0.00 WT2 O ATOM 32954 H1 TIP3 6345 42.040 9.410 32.949 1.00 0.00 WT2 H ATOM 32955 H2 TIP3 6345 43.467 8.906 32.917 1.00 0.00 WT2 H ATOM 32956 OH2 TIP3 6347 53.221 26.782 44.532 1.00 0.00 WT2 O ATOM 32957 H1 TIP3 6347 53.717 27.581 44.712 1.00 0.00 WT2 H ATOM 32958 H2 TIP3 6347 53.619 26.120 45.098 1.00 0.00 WT2 H ATOM 32959 OH2 TIP3 6348 26.075 18.211 -11.359 1.00 0.00 WT2 O ATOM 32960 H1 TIP3 6348 26.262 18.592 -12.217 1.00 0.00 WT2 H ATOM 32961 H2 TIP3 6348 26.873 17.736 -11.128 1.00 0.00 WT2 H ATOM 32962 OH2 TIP3 6353 71.258 27.982 53.987 1.00 0.00 WT2 O ATOM 32963 H1 TIP3 6353 71.935 27.704 53.371 1.00 0.00 WT2 H ATOM 32964 H2 TIP3 6353 70.485 27.472 53.742 1.00 0.00 WT2 H ATOM 32965 OH2 TIP3 6357 69.924 91.668 -0.227 1.00 0.00 WT2 O ATOM 32966 H1 TIP3 6357 69.307 91.505 0.487 1.00 0.00 WT2 H ATOM 32967 H2 TIP3 6357 69.484 92.312 -0.781 1.00 0.00 WT2 H ATOM 32968 OH2 TIP3 6364 35.191 87.536 -15.684 1.00 0.00 WT2 O ATOM 32969 H1 TIP3 6364 35.937 88.134 -15.635 1.00 0.00 WT2 H ATOM 32970 H2 TIP3 6364 34.822 87.539 -14.801 1.00 0.00 WT2 H ATOM 32971 OH2 TIP3 6366 55.363 85.416 52.594 1.00 0.00 WT2 O ATOM 32972 H1 TIP3 6366 55.232 85.216 51.668 1.00 0.00 WT2 H ATOM 32973 H2 TIP3 6366 55.577 84.573 52.994 1.00 0.00 WT2 H ATOM 32974 OH2 TIP3 6368 22.473 34.369 12.218 1.00 0.00 WT2 O ATOM 32975 H1 TIP3 6368 22.214 34.339 13.139 1.00 0.00 WT2 H ATOM 32976 H2 TIP3 6368 21.821 34.933 11.803 1.00 0.00 WT2 H ATOM 32977 OH2 TIP3 6369 76.125 71.155 -10.224 1.00 0.00 WT2 O ATOM 32978 H1 TIP3 6369 76.754 71.691 -9.742 1.00 0.00 WT2 H ATOM 32979 H2 TIP3 6369 75.491 70.876 -9.563 1.00 0.00 WT2 H ATOM 32980 OH2 TIP3 6381 75.157 88.595 36.606 1.00 0.00 WT2 O ATOM 32981 H1 TIP3 6381 75.019 89.370 37.150 1.00 0.00 WT2 H ATOM 32982 H2 TIP3 6381 74.448 88.624 35.964 1.00 0.00 WT2 H ATOM 32983 OH2 TIP3 6385 60.526 18.075 -10.969 1.00 0.00 WT2 O ATOM 32984 H1 TIP3 6385 61.477 18.009 -11.052 1.00 0.00 WT2 H ATOM 32985 H2 TIP3 6385 60.304 18.896 -11.408 1.00 0.00 WT2 H ATOM 32986 OH2 TIP3 6388 45.303 42.472 50.870 1.00 0.00 WT2 O ATOM 32987 H1 TIP3 6388 44.383 42.432 51.132 1.00 0.00 WT2 H ATOM 32988 H2 TIP3 6388 45.783 42.560 51.694 1.00 0.00 WT2 H ATOM 32989 OH2 TIP3 6389 46.191 51.625 47.328 1.00 0.00 WT2 O ATOM 32990 H1 TIP3 6389 46.846 50.960 47.542 1.00 0.00 WT2 H ATOM 32991 H2 TIP3 6389 46.430 51.925 46.452 1.00 0.00 WT2 H ATOM 32992 OH2 TIP3 6390 20.666 75.150 57.078 1.00 0.00 WT2 O ATOM 32993 H1 TIP3 6390 21.348 75.733 57.411 1.00 0.00 WT2 H ATOM 32994 H2 TIP3 6390 20.627 74.437 57.716 1.00 0.00 WT2 H ATOM 32995 OH2 TIP3 6403 55.454 83.495 -1.274 1.00 0.00 WT2 O ATOM 32996 H1 TIP3 6403 55.654 84.042 -0.515 1.00 0.00 WT2 H ATOM 32997 H2 TIP3 6403 56.064 82.760 -1.208 1.00 0.00 WT2 H ATOM 32998 OH2 TIP3 6404 24.555 86.865 -5.540 1.00 0.00 WT2 O ATOM 32999 H1 TIP3 6404 25.456 86.764 -5.232 1.00 0.00 WT2 H ATOM 33000 H2 TIP3 6404 24.615 86.771 -6.490 1.00 0.00 WT2 H ATOM 33001 OH2 TIP3 6407 30.411 16.317 47.373 1.00 0.00 WT2 O ATOM 33002 H1 TIP3 6407 31.302 16.342 47.722 1.00 0.00 WT2 H ATOM 33003 H2 TIP3 6407 30.255 17.204 47.050 1.00 0.00 WT2 H ATOM 33004 OH2 TIP3 6408 34.322 63.239 51.961 1.00 0.00 WT2 O ATOM 33005 H1 TIP3 6408 33.696 62.989 51.282 1.00 0.00 WT2 H ATOM 33006 H2 TIP3 6408 35.098 63.525 51.479 1.00 0.00 WT2 H ATOM 33007 OH2 TIP3 6409 51.807 85.432 62.232 1.00 0.00 WT2 O ATOM 33008 H1 TIP3 6409 51.243 85.512 63.001 1.00 0.00 WT2 H ATOM 33009 H2 TIP3 6409 51.763 86.291 61.811 1.00 0.00 WT2 H ATOM 33010 OH2 TIP3 6410 48.559 10.921 39.976 1.00 0.00 WT2 O ATOM 33011 H1 TIP3 6410 48.876 10.135 39.532 1.00 0.00 WT2 H ATOM 33012 H2 TIP3 6410 49.129 11.013 40.739 1.00 0.00 WT2 H ATOM 33013 OH2 TIP3 6412 21.881 34.880 64.718 1.00 0.00 WT2 O ATOM 33014 H1 TIP3 6412 21.197 35.055 64.071 1.00 0.00 WT2 H ATOM 33015 H2 TIP3 6412 21.830 35.617 65.327 1.00 0.00 WT2 H ATOM 33016 OH2 TIP3 6413 43.373 23.223 -13.934 1.00 0.00 WT2 O ATOM 33017 H1 TIP3 6413 42.771 22.643 -14.401 1.00 0.00 WT2 H ATOM 33018 H2 TIP3 6413 43.531 23.945 -14.541 1.00 0.00 WT2 H ATOM 33019 OH2 TIP3 6417 49.653 17.583 -18.522 1.00 0.00 WT2 O ATOM 33020 H1 TIP3 6417 50.147 18.046 -19.198 1.00 0.00 WT2 H ATOM 33021 H2 TIP3 6417 50.193 16.821 -18.309 1.00 0.00 WT2 H ATOM 33022 OH2 TIP3 6425 44.204 2.621 32.328 1.00 0.00 WT2 O ATOM 33023 H1 TIP3 6425 45.091 2.766 31.999 1.00 0.00 WT2 H ATOM 33024 H2 TIP3 6425 43.799 3.488 32.316 1.00 0.00 WT2 H ATOM 33025 OH2 TIP3 6428 29.780 66.435 -0.517 1.00 0.00 WT2 O ATOM 33026 H1 TIP3 6428 29.456 65.952 -1.277 1.00 0.00 WT2 H ATOM 33027 H2 TIP3 6428 29.338 66.032 0.230 1.00 0.00 WT2 H ATOM 33028 OH2 TIP3 6429 81.359 28.565 36.267 1.00 0.00 WT2 O ATOM 33029 H1 TIP3 6429 80.608 28.108 36.645 1.00 0.00 WT2 H ATOM 33030 H2 TIP3 6429 81.772 29.004 37.011 1.00 0.00 WT2 H ATOM 33031 OH2 TIP3 6430 60.973 32.207 44.455 1.00 0.00 WT2 O ATOM 33032 H1 TIP3 6430 60.454 31.779 43.774 1.00 0.00 WT2 H ATOM 33033 H2 TIP3 6430 61.427 32.917 44.000 1.00 0.00 WT2 H ATOM 33034 OH2 TIP3 6431 83.911 87.574 7.321 1.00 0.00 WT2 O ATOM 33035 H1 TIP3 6431 84.381 87.368 6.513 1.00 0.00 WT2 H ATOM 33036 H2 TIP3 6431 83.068 87.130 7.227 1.00 0.00 WT2 H ATOM 33037 OH2 TIP3 6433 24.432 89.682 17.514 1.00 0.00 WT2 O ATOM 33038 H1 TIP3 6433 24.271 90.612 17.674 1.00 0.00 WT2 H ATOM 33039 H2 TIP3 6433 25.381 89.617 17.410 1.00 0.00 WT2 H ATOM 33040 OH2 TIP3 6436 27.108 34.306 18.292 1.00 0.00 WT2 O ATOM 33041 H1 TIP3 6436 27.031 35.228 18.536 1.00 0.00 WT2 H ATOM 33042 H2 TIP3 6436 27.584 34.316 17.462 1.00 0.00 WT2 H ATOM 33043 OH2 TIP3 6444 61.308 19.038 36.111 1.00 0.00 WT2 O ATOM 33044 H1 TIP3 6444 61.850 18.535 36.718 1.00 0.00 WT2 H ATOM 33045 H2 TIP3 6444 61.923 19.619 35.664 1.00 0.00 WT2 H ATOM 33046 OH2 TIP3 6446 21.467 59.261 33.004 1.00 0.00 WT2 O ATOM 33047 H1 TIP3 6446 22.196 59.714 32.580 1.00 0.00 WT2 H ATOM 33048 H2 TIP3 6446 21.046 59.934 33.539 1.00 0.00 WT2 H ATOM 33049 OH2 TIP3 6450 70.955 63.253 54.617 1.00 0.00 WT2 O ATOM 33050 H1 TIP3 6450 70.335 63.212 53.889 1.00 0.00 WT2 H ATOM 33051 H2 TIP3 6450 70.832 62.427 55.084 1.00 0.00 WT2 H ATOM 33052 OH2 TIP3 6452 69.463 90.399 39.396 1.00 0.00 WT2 O ATOM 33053 H1 TIP3 6452 69.315 90.789 38.534 1.00 0.00 WT2 H ATOM 33054 H2 TIP3 6452 69.126 89.507 39.317 1.00 0.00 WT2 H ATOM 33055 OH2 TIP3 6454 78.273 87.441 43.594 1.00 0.00 WT2 O ATOM 33056 H1 TIP3 6454 78.914 87.899 43.050 1.00 0.00 WT2 H ATOM 33057 H2 TIP3 6454 77.517 87.317 43.020 1.00 0.00 WT2 H ATOM 33058 OH2 TIP3 6455 25.412 10.923 37.652 1.00 0.00 WT2 O ATOM 33059 H1 TIP3 6455 25.304 11.201 38.561 1.00 0.00 WT2 H ATOM 33060 H2 TIP3 6455 25.071 10.028 37.632 1.00 0.00 WT2 H ATOM 33061 OH2 TIP3 6469 22.229 62.516 13.449 1.00 0.00 WT2 O ATOM 33062 H1 TIP3 6469 22.382 63.048 12.668 1.00 0.00 WT2 H ATOM 33063 H2 TIP3 6469 23.105 62.270 13.747 1.00 0.00 WT2 H ATOM 33064 OH2 TIP3 6470 68.624 10.187 -15.229 1.00 0.00 WT2 O ATOM 33065 H1 TIP3 6470 69.297 9.510 -15.157 1.00 0.00 WT2 H ATOM 33066 H2 TIP3 6470 67.934 9.905 -14.628 1.00 0.00 WT2 H ATOM 33067 OH2 TIP3 6471 39.749 55.723 43.070 1.00 0.00 WT2 O ATOM 33068 H1 TIP3 6471 39.387 56.577 42.834 1.00 0.00 WT2 H ATOM 33069 H2 TIP3 6471 40.394 55.539 42.387 1.00 0.00 WT2 H ATOM 33070 OH2 TIP3 6472 48.890 40.571 47.935 1.00 0.00 WT2 O ATOM 33071 H1 TIP3 6472 49.082 41.201 47.240 1.00 0.00 WT2 H ATOM 33072 H2 TIP3 6472 48.741 41.109 48.713 1.00 0.00 WT2 H ATOM 33073 OH2 TIP3 6473 67.441 20.959 43.553 1.00 0.00 WT2 O ATOM 33074 H1 TIP3 6473 66.936 21.171 44.338 1.00 0.00 WT2 H ATOM 33075 H2 TIP3 6473 68.170 21.580 43.562 1.00 0.00 WT2 H ATOM 33076 OH2 TIP3 6474 41.876 85.998 66.181 1.00 0.00 WT2 O ATOM 33077 H1 TIP3 6474 41.948 85.529 65.350 1.00 0.00 WT2 H ATOM 33078 H2 TIP3 6474 41.140 85.580 66.629 1.00 0.00 WT2 H ATOM 33079 OH2 TIP3 6475 59.572 56.872 -1.901 1.00 0.00 WT2 O ATOM 33080 H1 TIP3 6475 58.816 57.458 -1.885 1.00 0.00 WT2 H ATOM 33081 H2 TIP3 6475 59.974 56.975 -1.039 1.00 0.00 WT2 H ATOM 33082 OH2 TIP3 6476 70.728 59.629 4.379 1.00 0.00 WT2 O ATOM 33083 H1 TIP3 6476 70.803 60.528 4.699 1.00 0.00 WT2 H ATOM 33084 H2 TIP3 6476 70.104 59.213 4.974 1.00 0.00 WT2 H ATOM 33085 OH2 TIP3 6490 83.038 75.563 60.584 1.00 0.00 WT2 O ATOM 33086 H1 TIP3 6490 83.649 76.296 60.659 1.00 0.00 WT2 H ATOM 33087 H2 TIP3 6490 83.232 75.012 61.342 1.00 0.00 WT2 H ATOM 33088 OH2 TIP3 6491 64.633 33.462 44.511 1.00 0.00 WT2 O ATOM 33089 H1 TIP3 6491 64.999 34.257 44.898 1.00 0.00 WT2 H ATOM 33090 H2 TIP3 6491 64.428 32.902 45.260 1.00 0.00 WT2 H ATOM 33091 OH2 TIP3 6492 82.728 41.296 22.113 1.00 0.00 WT2 O ATOM 33092 H1 TIP3 6492 82.759 41.834 21.322 1.00 0.00 WT2 H ATOM 33093 H2 TIP3 6492 82.847 40.400 21.799 1.00 0.00 WT2 H ATOM 33094 OH2 TIP3 6493 31.172 59.189 31.911 1.00 0.00 WT2 O ATOM 33095 H1 TIP3 6493 31.966 59.240 31.378 1.00 0.00 WT2 H ATOM 33096 H2 TIP3 6493 30.731 60.026 31.765 1.00 0.00 WT2 H ATOM 33097 OH2 TIP3 6497 59.078 36.824 5.769 1.00 0.00 WT2 O ATOM 33098 H1 TIP3 6497 58.481 37.491 6.106 1.00 0.00 WT2 H ATOM 33099 H2 TIP3 6497 59.372 37.168 4.926 1.00 0.00 WT2 H ATOM 33100 OH2 TIP3 6499 58.400 49.798 -6.289 1.00 0.00 WT2 O ATOM 33101 H1 TIP3 6499 58.467 50.751 -6.222 1.00 0.00 WT2 H ATOM 33102 H2 TIP3 6499 57.950 49.647 -7.120 1.00 0.00 WT2 H ATOM 33103 OH2 TIP3 6509 35.506 47.402 65.678 1.00 0.00 WT2 O ATOM 33104 H1 TIP3 6509 35.594 47.916 64.875 1.00 0.00 WT2 H ATOM 33105 H2 TIP3 6509 34.926 46.680 65.439 1.00 0.00 WT2 H ATOM 33106 OH2 TIP3 6512 28.404 57.448 -8.560 1.00 0.00 WT2 O ATOM 33107 H1 TIP3 6512 28.817 56.645 -8.880 1.00 0.00 WT2 H ATOM 33108 H2 TIP3 6512 29.134 57.993 -8.267 1.00 0.00 WT2 H ATOM 33109 OH2 TIP3 6513 70.142 52.438 52.818 1.00 0.00 WT2 O ATOM 33110 H1 TIP3 6513 69.256 52.759 52.986 1.00 0.00 WT2 H ATOM 33111 H2 TIP3 6513 70.055 51.890 52.038 1.00 0.00 WT2 H ATOM 33112 OH2 TIP3 6514 45.888 58.419 44.825 1.00 0.00 WT2 O ATOM 33113 H1 TIP3 6514 46.538 58.937 44.350 1.00 0.00 WT2 H ATOM 33114 H2 TIP3 6514 45.045 58.779 44.550 1.00 0.00 WT2 H ATOM 33115 OH2 TIP3 6515 43.144 36.336 65.111 1.00 0.00 WT2 O ATOM 33116 H1 TIP3 6515 42.798 36.002 64.284 1.00 0.00 WT2 H ATOM 33117 H2 TIP3 6515 42.524 36.028 65.772 1.00 0.00 WT2 H ATOM 33118 OH2 TIP3 6516 58.889 59.283 57.948 1.00 0.00 WT2 O ATOM 33119 H1 TIP3 6516 59.018 58.557 57.337 1.00 0.00 WT2 H ATOM 33120 H2 TIP3 6516 58.209 58.974 58.547 1.00 0.00 WT2 H ATOM 33121 OH2 TIP3 6519 24.476 66.813 32.660 1.00 0.00 WT2 O ATOM 33122 H1 TIP3 6519 25.402 67.052 32.614 1.00 0.00 WT2 H ATOM 33123 H2 TIP3 6519 24.176 66.841 31.751 1.00 0.00 WT2 H ATOM 33124 OH2 TIP3 6528 34.126 42.583 10.660 1.00 0.00 WT2 O ATOM 33125 H1 TIP3 6528 33.242 42.385 10.352 1.00 0.00 WT2 H ATOM 33126 H2 TIP3 6528 33.998 42.983 11.519 1.00 0.00 WT2 H ATOM 33127 OH2 TIP3 6534 33.867 78.784 67.313 1.00 0.00 WT2 O ATOM 33128 H1 TIP3 6534 33.607 79.666 67.577 1.00 0.00 WT2 H ATOM 33129 H2 TIP3 6534 33.048 78.358 67.059 1.00 0.00 WT2 H ATOM 33130 OH2 TIP3 6535 51.537 26.507 -7.581 1.00 0.00 WT2 O ATOM 33131 H1 TIP3 6535 52.011 27.100 -6.998 1.00 0.00 WT2 H ATOM 33132 H2 TIP3 6535 52.180 25.841 -7.820 1.00 0.00 WT2 H ATOM 33133 OH2 TIP3 6536 62.849 15.658 48.900 1.00 0.00 WT2 O ATOM 33134 H1 TIP3 6536 63.750 15.824 48.625 1.00 0.00 WT2 H ATOM 33135 H2 TIP3 6536 62.448 15.214 48.152 1.00 0.00 WT2 H ATOM 33136 OH2 TIP3 6537 47.573 1.521 59.488 1.00 0.00 WT2 O ATOM 33137 H1 TIP3 6537 48.184 2.253 59.571 1.00 0.00 WT2 H ATOM 33138 H2 TIP3 6537 47.266 1.362 60.380 1.00 0.00 WT2 H ATOM 33139 OH2 TIP3 6538 77.319 63.717 14.792 1.00 0.00 WT2 O ATOM 33140 H1 TIP3 6538 77.219 63.350 13.914 1.00 0.00 WT2 H ATOM 33141 H2 TIP3 6538 77.973 63.159 15.213 1.00 0.00 WT2 H ATOM 33142 OH2 TIP3 6549 48.986 46.992 62.060 1.00 0.00 WT2 O ATOM 33143 H1 TIP3 6549 48.846 47.919 62.251 1.00 0.00 WT2 H ATOM 33144 H2 TIP3 6549 48.109 46.645 61.896 1.00 0.00 WT2 H ATOM 33145 OH2 TIP3 6551 22.741 29.261 -5.805 1.00 0.00 WT2 O ATOM 33146 H1 TIP3 6551 23.215 29.378 -4.982 1.00 0.00 WT2 H ATOM 33147 H2 TIP3 6551 22.661 30.145 -6.164 1.00 0.00 WT2 H ATOM 33148 OH2 TIP3 6552 22.898 80.805 -8.303 1.00 0.00 WT2 O ATOM 33149 H1 TIP3 6552 23.348 81.375 -8.926 1.00 0.00 WT2 H ATOM 33150 H2 TIP3 6552 23.438 80.838 -7.513 1.00 0.00 WT2 H ATOM 33151 OH2 TIP3 6555 81.709 94.918 46.532 1.00 0.00 WT2 O ATOM 33152 H1 TIP3 6555 80.863 95.359 46.612 1.00 0.00 WT2 H ATOM 33153 H2 TIP3 6555 82.255 95.323 47.205 1.00 0.00 WT2 H ATOM 33154 OH2 TIP3 6556 55.666 67.059 61.285 1.00 0.00 WT2 O ATOM 33155 H1 TIP3 6556 56.520 67.470 61.420 1.00 0.00 WT2 H ATOM 33156 H2 TIP3 6556 55.392 67.356 60.417 1.00 0.00 WT2 H ATOM 33157 OH2 TIP3 6559 25.887 44.515 19.646 1.00 0.00 WT2 O ATOM 33158 H1 TIP3 6559 25.343 44.540 20.434 1.00 0.00 WT2 H ATOM 33159 H2 TIP3 6559 26.308 45.374 19.618 1.00 0.00 WT2 H ATOM 33160 OH2 TIP3 6560 51.726 19.408 33.853 1.00 0.00 WT2 O ATOM 33161 H1 TIP3 6560 51.563 18.639 34.399 1.00 0.00 WT2 H ATOM 33162 H2 TIP3 6560 51.881 19.052 32.978 1.00 0.00 WT2 H ATOM 33163 OH2 TIP3 6575 73.935 90.862 -14.294 1.00 0.00 WT2 O ATOM 33164 H1 TIP3 6575 73.092 90.790 -14.741 1.00 0.00 WT2 H ATOM 33165 H2 TIP3 6575 74.279 89.969 -14.286 1.00 0.00 WT2 H ATOM 33166 OH2 TIP3 6576 21.087 90.615 -6.533 1.00 0.00 WT2 O ATOM 33167 H1 TIP3 6576 22.002 90.372 -6.394 1.00 0.00 WT2 H ATOM 33168 H2 TIP3 6576 20.663 90.447 -5.691 1.00 0.00 WT2 H ATOM 33169 OH2 TIP3 6577 88.731 44.083 25.832 1.00 0.00 WT2 O ATOM 33170 H1 TIP3 6577 88.237 44.903 25.840 1.00 0.00 WT2 H ATOM 33171 H2 TIP3 6577 89.511 44.278 25.312 1.00 0.00 WT2 H ATOM 33172 OH2 TIP3 6579 21.166 1.212 39.153 1.00 0.00 WT2 O ATOM 33173 H1 TIP3 6579 20.700 0.583 39.705 1.00 0.00 WT2 H ATOM 33174 H2 TIP3 6579 21.089 2.043 39.621 1.00 0.00 WT2 H ATOM 33175 OH2 TIP3 6580 34.032 76.601 47.505 1.00 0.00 WT2 O ATOM 33176 H1 TIP3 6580 33.128 76.764 47.772 1.00 0.00 WT2 H ATOM 33177 H2 TIP3 6580 34.534 77.305 47.915 1.00 0.00 WT2 H ATOM 33178 OH2 TIP3 6595 84.856 36.145 26.112 1.00 0.00 WT2 O ATOM 33179 H1 TIP3 6595 84.425 35.451 26.611 1.00 0.00 WT2 H ATOM 33180 H2 TIP3 6595 84.223 36.381 25.434 1.00 0.00 WT2 H ATOM 33181 OH2 TIP3 6597 63.774 85.481 51.311 1.00 0.00 WT2 O ATOM 33182 H1 TIP3 6597 63.101 84.810 51.198 1.00 0.00 WT2 H ATOM 33183 H2 TIP3 6597 63.872 85.871 50.443 1.00 0.00 WT2 H ATOM 33184 OH2 TIP3 6598 73.212 63.061 36.102 1.00 0.00 WT2 O ATOM 33185 H1 TIP3 6598 73.775 63.598 35.546 1.00 0.00 WT2 H ATOM 33186 H2 TIP3 6598 73.816 62.617 36.697 1.00 0.00 WT2 H ATOM 33187 OH2 TIP3 6599 87.131 89.900 64.946 1.00 0.00 WT2 O ATOM 33188 H1 TIP3 6599 87.398 90.670 65.449 1.00 0.00 WT2 H ATOM 33189 H2 TIP3 6599 87.364 89.157 65.503 1.00 0.00 WT2 H ATOM 33190 OH2 TIP3 6600 75.905 74.739 5.532 1.00 0.00 WT2 O ATOM 33191 H1 TIP3 6600 76.849 74.602 5.602 1.00 0.00 WT2 H ATOM 33192 H2 TIP3 6600 75.520 73.925 5.859 1.00 0.00 WT2 H ATOM 33193 OH2 TIP3 6602 70.945 16.622 -8.423 1.00 0.00 WT2 O ATOM 33194 H1 TIP3 6602 70.262 16.490 -7.765 1.00 0.00 WT2 H ATOM 33195 H2 TIP3 6602 70.470 16.705 -9.249 1.00 0.00 WT2 H ATOM 33196 OH2 TIP3 6603 62.137 35.387 53.523 1.00 0.00 WT2 O ATOM 33197 H1 TIP3 6603 62.277 35.269 54.463 1.00 0.00 WT2 H ATOM 33198 H2 TIP3 6603 61.250 35.061 53.370 1.00 0.00 WT2 H ATOM 33199 OH2 TIP3 6615 73.967 33.635 9.589 1.00 0.00 WT2 O ATOM 33200 H1 TIP3 6615 74.434 33.732 10.419 1.00 0.00 WT2 H ATOM 33201 H2 TIP3 6615 73.041 33.671 9.829 1.00 0.00 WT2 H ATOM 33202 OH2 TIP3 6616 64.269 93.541 -11.975 1.00 0.00 WT2 O ATOM 33203 H1 TIP3 6616 63.349 93.653 -12.214 1.00 0.00 WT2 H ATOM 33204 H2 TIP3 6616 64.749 93.692 -12.789 1.00 0.00 WT2 H ATOM 33205 OH2 TIP3 6618 43.383 89.814 31.054 1.00 0.00 WT2 O ATOM 33206 H1 TIP3 6618 42.808 89.053 31.128 1.00 0.00 WT2 H ATOM 33207 H2 TIP3 6618 42.926 90.508 31.530 1.00 0.00 WT2 H ATOM 33208 OH2 TIP3 6620 71.151 4.213 -13.832 1.00 0.00 WT2 O ATOM 33209 H1 TIP3 6620 71.632 5.022 -14.006 1.00 0.00 WT2 H ATOM 33210 H2 TIP3 6620 71.458 3.932 -12.970 1.00 0.00 WT2 H ATOM 33211 OH2 TIP3 6621 68.760 50.303 54.497 1.00 0.00 WT2 O ATOM 33212 H1 TIP3 6621 67.841 50.054 54.409 1.00 0.00 WT2 H ATOM 33213 H2 TIP3 6621 69.181 49.952 53.712 1.00 0.00 WT2 H ATOM 33214 OH2 TIP3 6623 40.163 28.390 28.662 1.00 0.00 WT2 O ATOM 33215 H1 TIP3 6623 40.698 28.800 29.342 1.00 0.00 WT2 H ATOM 33216 H2 TIP3 6623 39.311 28.819 28.737 1.00 0.00 WT2 H ATOM 33217 OH2 TIP3 6633 88.600 27.570 -18.118 1.00 0.00 WT2 O ATOM 33218 H1 TIP3 6633 89.190 27.847 -17.416 1.00 0.00 WT2 H ATOM 33219 H2 TIP3 6633 87.725 27.779 -17.792 1.00 0.00 WT2 H ATOM 33220 OH2 TIP3 6637 90.174 85.928 24.911 1.00 0.00 WT2 O ATOM 33221 H1 TIP3 6637 90.686 86.001 24.105 1.00 0.00 WT2 H ATOM 33222 H2 TIP3 6637 90.217 86.801 25.302 1.00 0.00 WT2 H ATOM 33223 OH2 TIP3 6638 52.880 28.051 54.540 1.00 0.00 WT2 O ATOM 33224 H1 TIP3 6638 52.413 28.886 54.498 1.00 0.00 WT2 H ATOM 33225 H2 TIP3 6638 52.198 27.389 54.431 1.00 0.00 WT2 H ATOM 33226 OH2 TIP3 6639 76.775 1.130 47.411 1.00 0.00 WT2 O ATOM 33227 H1 TIP3 6639 76.312 0.318 47.202 1.00 0.00 WT2 H ATOM 33228 H2 TIP3 6639 77.697 0.874 47.457 1.00 0.00 WT2 H ATOM 33229 OH2 TIP3 6640 22.241 9.677 -6.072 1.00 0.00 WT2 O ATOM 33230 H1 TIP3 6640 21.891 10.250 -5.390 1.00 0.00 WT2 H ATOM 33231 H2 TIP3 6640 23.141 9.976 -6.198 1.00 0.00 WT2 H ATOM 33232 OH2 TIP3 6641 40.502 25.324 27.609 1.00 0.00 WT2 O ATOM 33233 H1 TIP3 6641 39.905 25.947 28.023 1.00 0.00 WT2 H ATOM 33234 H2 TIP3 6641 40.348 25.433 26.670 1.00 0.00 WT2 H ATOM 33235 OH2 TIP3 6642 45.636 96.208 16.864 1.00 0.00 WT2 O ATOM 33236 H1 TIP3 6642 45.951 95.666 17.588 1.00 0.00 WT2 H ATOM 33237 H2 TIP3 6642 45.674 95.632 16.100 1.00 0.00 WT2 H ATOM 33238 OH2 TIP3 6645 63.877 34.729 14.359 1.00 0.00 WT2 O ATOM 33239 H1 TIP3 6645 62.984 35.062 14.275 1.00 0.00 WT2 H ATOM 33240 H2 TIP3 6645 64.254 34.827 13.485 1.00 0.00 WT2 H ATOM 33241 OH2 TIP3 6656 71.508 56.100 64.063 1.00 0.00 WT2 O ATOM 33242 H1 TIP3 6656 71.084 55.291 64.349 1.00 0.00 WT2 H ATOM 33243 H2 TIP3 6656 72.305 56.153 64.591 1.00 0.00 WT2 H ATOM 33244 OH2 TIP3 6659 79.167 40.126 52.885 1.00 0.00 WT2 O ATOM 33245 H1 TIP3 6659 78.215 40.097 52.986 1.00 0.00 WT2 H ATOM 33246 H2 TIP3 6659 79.322 39.836 51.986 1.00 0.00 WT2 H ATOM 33247 OH2 TIP3 6660 44.377 22.132 52.327 1.00 0.00 WT2 O ATOM 33248 H1 TIP3 6660 45.152 22.024 51.776 1.00 0.00 WT2 H ATOM 33249 H2 TIP3 6660 43.891 22.849 51.920 1.00 0.00 WT2 H ATOM 33250 OH2 TIP3 6661 59.619 37.354 41.498 1.00 0.00 WT2 O ATOM 33251 H1 TIP3 6661 59.109 37.391 40.689 1.00 0.00 WT2 H ATOM 33252 H2 TIP3 6661 59.245 36.618 41.984 1.00 0.00 WT2 H ATOM 33253 OH2 TIP3 6662 37.286 3.386 -6.550 1.00 0.00 WT2 O ATOM 33254 H1 TIP3 6662 36.434 3.247 -6.963 1.00 0.00 WT2 H ATOM 33255 H2 TIP3 6662 37.254 4.288 -6.232 1.00 0.00 WT2 H ATOM 33256 OH2 TIP3 6664 42.335 17.178 29.116 1.00 0.00 WT2 O ATOM 33257 H1 TIP3 6664 42.463 16.337 28.678 1.00 0.00 WT2 H ATOM 33258 H2 TIP3 6664 42.024 17.764 28.425 1.00 0.00 WT2 H ATOM 33259 OH2 TIP3 6671 23.875 80.473 -5.858 1.00 0.00 WT2 O ATOM 33260 H1 TIP3 6671 23.430 81.094 -5.281 1.00 0.00 WT2 H ATOM 33261 H2 TIP3 6671 23.866 79.647 -5.376 1.00 0.00 WT2 H ATOM 33262 OH2 TIP3 6679 29.783 25.705 23.835 1.00 0.00 WT2 O ATOM 33263 H1 TIP3 6679 29.819 26.011 24.742 1.00 0.00 WT2 H ATOM 33264 H2 TIP3 6679 28.983 25.181 23.790 1.00 0.00 WT2 H ATOM 33265 OH2 TIP3 6681 63.469 83.343 -12.659 1.00 0.00 WT2 O ATOM 33266 H1 TIP3 6681 64.423 83.344 -12.734 1.00 0.00 WT2 H ATOM 33267 H2 TIP3 6681 63.303 83.295 -11.717 1.00 0.00 WT2 H ATOM 33268 OH2 TIP3 6684 21.569 0.668 14.633 1.00 0.00 WT2 O ATOM 33269 H1 TIP3 6684 21.865 -0.208 14.384 1.00 0.00 WT2 H ATOM 33270 H2 TIP3 6684 22.300 1.242 14.404 1.00 0.00 WT2 H ATOM 33271 OH2 TIP3 6686 58.169 12.548 66.993 1.00 0.00 WT2 O ATOM 33272 H1 TIP3 6686 57.256 12.337 67.186 1.00 0.00 WT2 H ATOM 33273 H2 TIP3 6686 58.153 12.892 66.100 1.00 0.00 WT2 H ATOM 33274 OH2 TIP3 6698 67.020 59.948 64.568 1.00 0.00 WT2 O ATOM 33275 H1 TIP3 6698 67.310 59.927 65.480 1.00 0.00 WT2 H ATOM 33276 H2 TIP3 6698 66.157 59.536 64.581 1.00 0.00 WT2 H ATOM 33277 OH2 TIP3 6700 46.734 55.802 58.243 1.00 0.00 WT2 O ATOM 33278 H1 TIP3 6700 46.688 55.899 57.292 1.00 0.00 WT2 H ATOM 33279 H2 TIP3 6700 47.547 56.243 58.490 1.00 0.00 WT2 H ATOM 33280 OH2 TIP3 6701 69.034 25.235 38.686 1.00 0.00 WT2 O ATOM 33281 H1 TIP3 6701 68.453 24.712 39.237 1.00 0.00 WT2 H ATOM 33282 H2 TIP3 6701 69.604 24.594 38.260 1.00 0.00 WT2 H ATOM 33283 OH2 TIP3 6703 25.390 55.223 -3.138 1.00 0.00 WT2 O ATOM 33284 H1 TIP3 6703 25.352 54.622 -3.882 1.00 0.00 WT2 H ATOM 33285 H2 TIP3 6703 24.586 55.738 -3.205 1.00 0.00 WT2 H ATOM 33286 OH2 TIP3 6704 24.644 11.181 -0.856 1.00 0.00 WT2 O ATOM 33287 H1 TIP3 6704 24.846 10.979 0.057 1.00 0.00 WT2 H ATOM 33288 H2 TIP3 6704 25.041 12.040 -1.005 1.00 0.00 WT2 H ATOM 33289 OH2 TIP3 6705 88.550 79.604 22.743 1.00 0.00 WT2 O ATOM 33290 H1 TIP3 6705 87.779 80.167 22.813 1.00 0.00 WT2 H ATOM 33291 H2 TIP3 6705 88.504 79.037 23.512 1.00 0.00 WT2 H ATOM 33292 OH2 TIP3 6706 31.657 34.590 40.472 1.00 0.00 WT2 O ATOM 33293 H1 TIP3 6706 31.661 35.481 40.821 1.00 0.00 WT2 H ATOM 33294 H2 TIP3 6706 32.440 34.183 40.843 1.00 0.00 WT2 H ATOM 33295 OH2 TIP3 6721 23.618 17.703 56.222 1.00 0.00 WT2 O ATOM 33296 H1 TIP3 6721 23.577 18.436 56.836 1.00 0.00 WT2 H ATOM 33297 H2 TIP3 6721 23.290 16.955 56.719 1.00 0.00 WT2 H ATOM 33298 OH2 TIP3 6722 86.728 73.244 24.649 1.00 0.00 WT2 O ATOM 33299 H1 TIP3 6722 86.272 74.085 24.617 1.00 0.00 WT2 H ATOM 33300 H2 TIP3 6722 86.318 72.722 23.959 1.00 0.00 WT2 H ATOM 33301 OH2 TIP3 6726 61.692 22.352 -9.972 1.00 0.00 WT2 O ATOM 33302 H1 TIP3 6726 62.148 22.402 -9.132 1.00 0.00 WT2 H ATOM 33303 H2 TIP3 6726 60.774 22.214 -9.740 1.00 0.00 WT2 H ATOM 33304 OH2 TIP3 6727 28.788 71.326 -0.808 1.00 0.00 WT2 O ATOM 33305 H1 TIP3 6727 28.979 71.510 0.112 1.00 0.00 WT2 H ATOM 33306 H2 TIP3 6727 29.434 70.667 -1.061 1.00 0.00 WT2 H ATOM 33307 OH2 TIP3 6730 35.268 11.767 3.171 1.00 0.00 WT2 O ATOM 33308 H1 TIP3 6730 34.460 11.565 2.699 1.00 0.00 WT2 H ATOM 33309 H2 TIP3 6730 35.956 11.335 2.663 1.00 0.00 WT2 H ATOM 33310 OH2 TIP3 6731 36.007 14.632 19.032 1.00 0.00 WT2 O ATOM 33311 H1 TIP3 6731 35.143 14.757 18.641 1.00 0.00 WT2 H ATOM 33312 H2 TIP3 6731 36.005 15.198 19.804 1.00 0.00 WT2 H ATOM 33313 OH2 TIP3 6740 70.853 38.998 7.407 1.00 0.00 WT2 O ATOM 33314 H1 TIP3 6740 71.476 38.384 7.796 1.00 0.00 WT2 H ATOM 33315 H2 TIP3 6740 70.585 39.561 8.133 1.00 0.00 WT2 H ATOM 33316 OH2 TIP3 6742 54.280 21.232 53.619 1.00 0.00 WT2 O ATOM 33317 H1 TIP3 6742 53.476 20.742 53.796 1.00 0.00 WT2 H ATOM 33318 H2 TIP3 6742 54.333 21.269 52.664 1.00 0.00 WT2 H ATOM 33319 OH2 TIP3 6743 84.516 40.502 26.449 1.00 0.00 WT2 O ATOM 33320 H1 TIP3 6743 84.433 41.175 27.124 1.00 0.00 WT2 H ATOM 33321 H2 TIP3 6743 84.113 40.891 25.672 1.00 0.00 WT2 H ATOM 33322 OH2 TIP3 6745 84.468 43.897 45.079 1.00 0.00 WT2 O ATOM 33323 H1 TIP3 6745 85.126 43.379 45.542 1.00 0.00 WT2 H ATOM 33324 H2 TIP3 6745 83.644 43.436 45.238 1.00 0.00 WT2 H ATOM 33325 OH2 TIP3 6748 77.606 57.032 60.420 1.00 0.00 WT2 O ATOM 33326 H1 TIP3 6748 77.144 56.199 60.325 1.00 0.00 WT2 H ATOM 33327 H2 TIP3 6748 78.522 56.820 60.239 1.00 0.00 WT2 H ATOM 33328 OH2 TIP3 6750 73.967 36.982 57.205 1.00 0.00 WT2 O ATOM 33329 H1 TIP3 6750 73.907 37.344 56.321 1.00 0.00 WT2 H ATOM 33330 H2 TIP3 6750 74.897 36.789 57.323 1.00 0.00 WT2 H ATOM 33331 OH2 TIP3 6762 53.772 89.321 46.943 1.00 0.00 WT2 O ATOM 33332 H1 TIP3 6762 53.627 89.740 47.792 1.00 0.00 WT2 H ATOM 33333 H2 TIP3 6762 52.952 89.451 46.468 1.00 0.00 WT2 H ATOM 33334 OH2 TIP3 6763 32.507 17.099 55.730 1.00 0.00 WT2 O ATOM 33335 H1 TIP3 6763 33.167 17.411 55.111 1.00 0.00 WT2 H ATOM 33336 H2 TIP3 6763 33.008 16.624 56.393 1.00 0.00 WT2 H ATOM 33337 OH2 TIP3 6765 66.188 84.889 14.447 1.00 0.00 WT2 O ATOM 33338 H1 TIP3 6765 66.671 85.641 14.790 1.00 0.00 WT2 H ATOM 33339 H2 TIP3 6765 66.866 84.280 14.155 1.00 0.00 WT2 H ATOM 33340 OH2 TIP3 6767 74.612 23.523 53.197 1.00 0.00 WT2 O ATOM 33341 H1 TIP3 6767 74.763 23.600 52.255 1.00 0.00 WT2 H ATOM 33342 H2 TIP3 6767 74.272 22.636 53.313 1.00 0.00 WT2 H ATOM 33343 OH2 TIP3 6768 27.045 52.552 -20.164 1.00 0.00 WT2 O ATOM 33344 H1 TIP3 6768 28.001 52.584 -20.147 1.00 0.00 WT2 H ATOM 33345 H2 TIP3 6768 26.783 52.742 -19.263 1.00 0.00 WT2 H ATOM 33346 OH2 TIP3 6769 25.725 83.149 -5.490 1.00 0.00 WT2 O ATOM 33347 H1 TIP3 6769 26.047 83.234 -4.593 1.00 0.00 WT2 H ATOM 33348 H2 TIP3 6769 24.777 83.055 -5.397 1.00 0.00 WT2 H ATOM 33349 OH2 TIP3 6770 88.477 31.381 55.504 1.00 0.00 WT2 O ATOM 33350 H1 TIP3 6770 87.971 31.583 56.291 1.00 0.00 WT2 H ATOM 33351 H2 TIP3 6770 88.668 32.234 55.116 1.00 0.00 WT2 H ATOM 33352 OH2 TIP3 6771 39.153 52.241 40.068 1.00 0.00 WT2 O ATOM 33353 H1 TIP3 6771 38.425 52.827 39.862 1.00 0.00 WT2 H ATOM 33354 H2 TIP3 6771 39.802 52.804 40.490 1.00 0.00 WT2 H ATOM 33355 OH2 TIP3 6786 26.814 4.474 23.254 1.00 0.00 WT2 O ATOM 33356 H1 TIP3 6786 26.640 4.589 22.320 1.00 0.00 WT2 H ATOM 33357 H2 TIP3 6786 26.140 3.862 23.551 1.00 0.00 WT2 H ATOM 33358 OH2 TIP3 6788 22.341 88.510 62.802 1.00 0.00 WT2 O ATOM 33359 H1 TIP3 6788 22.585 88.009 63.580 1.00 0.00 WT2 H ATOM 33360 H2 TIP3 6788 23.154 88.927 62.520 1.00 0.00 WT2 H ATOM 33361 OH2 TIP3 6790 71.651 64.708 -4.531 1.00 0.00 WT2 O ATOM 33362 H1 TIP3 6790 70.712 64.824 -4.674 1.00 0.00 WT2 H ATOM 33363 H2 TIP3 6790 71.860 65.307 -3.814 1.00 0.00 WT2 H ATOM 33364 OH2 TIP3 6791 44.789 92.819 6.725 1.00 0.00 WT2 O ATOM 33365 H1 TIP3 6791 45.606 92.865 6.228 1.00 0.00 WT2 H ATOM 33366 H2 TIP3 6791 44.588 91.884 6.771 1.00 0.00 WT2 H ATOM 33367 OH2 TIP3 6792 81.927 64.223 22.129 1.00 0.00 WT2 O ATOM 33368 H1 TIP3 6792 82.773 63.836 21.901 1.00 0.00 WT2 H ATOM 33369 H2 TIP3 6792 81.301 63.785 21.552 1.00 0.00 WT2 H ATOM 33370 OH2 TIP3 6803 56.262 36.042 49.170 1.00 0.00 WT2 O ATOM 33371 H1 TIP3 6803 55.431 36.208 48.726 1.00 0.00 WT2 H ATOM 33372 H2 TIP3 6803 56.079 36.213 50.094 1.00 0.00 WT2 H ATOM 33373 OH2 TIP3 6807 87.771 52.425 -5.303 1.00 0.00 WT2 O ATOM 33374 H1 TIP3 6807 88.245 53.230 -5.511 1.00 0.00 WT2 H ATOM 33375 H2 TIP3 6807 87.585 52.029 -6.155 1.00 0.00 WT2 H ATOM 33376 OH2 TIP3 6810 84.462 21.265 12.365 1.00 0.00 WT2 O ATOM 33377 H1 TIP3 6810 83.940 20.463 12.370 1.00 0.00 WT2 H ATOM 33378 H2 TIP3 6810 84.251 21.683 11.530 1.00 0.00 WT2 H ATOM 33379 OH2 TIP3 6811 60.590 90.328 -15.530 1.00 0.00 WT2 O ATOM 33380 H1 TIP3 6811 61.271 90.124 -16.172 1.00 0.00 WT2 H ATOM 33381 H2 TIP3 6811 59.806 90.488 -16.055 1.00 0.00 WT2 H ATOM 33382 OH2 TIP3 6813 25.950 26.918 57.949 1.00 0.00 WT2 O ATOM 33383 H1 TIP3 6813 25.528 26.403 57.261 1.00 0.00 WT2 H ATOM 33384 H2 TIP3 6813 26.823 27.107 57.607 1.00 0.00 WT2 H ATOM 33385 OH2 TIP3 6815 21.705 40.211 3.428 1.00 0.00 WT2 O ATOM 33386 H1 TIP3 6815 22.291 39.766 2.816 1.00 0.00 WT2 H ATOM 33387 H2 TIP3 6815 22.228 40.327 4.221 1.00 0.00 WT2 H ATOM 33388 OH2 TIP3 6825 32.554 41.859 48.955 1.00 0.00 WT2 O ATOM 33389 H1 TIP3 6825 32.900 42.423 48.264 1.00 0.00 WT2 H ATOM 33390 H2 TIP3 6825 31.604 41.901 48.846 1.00 0.00 WT2 H ATOM 33391 OH2 TIP3 6826 45.433 83.905 56.229 1.00 0.00 WT2 O ATOM 33392 H1 TIP3 6826 44.589 84.062 56.652 1.00 0.00 WT2 H ATOM 33393 H2 TIP3 6826 46.016 83.650 56.943 1.00 0.00 WT2 H ATOM 33394 OH2 TIP3 6827 22.175 3.013 46.942 1.00 0.00 WT2 O ATOM 33395 H1 TIP3 6827 21.413 2.508 46.659 1.00 0.00 WT2 H ATOM 33396 H2 TIP3 6827 22.775 2.360 47.302 1.00 0.00 WT2 H ATOM 33397 OH2 TIP3 6828 61.344 67.723 30.749 1.00 0.00 WT2 O ATOM 33398 H1 TIP3 6828 60.468 67.900 31.093 1.00 0.00 WT2 H ATOM 33399 H2 TIP3 6828 61.213 67.021 30.112 1.00 0.00 WT2 H ATOM 33400 OH2 TIP3 6831 60.046 26.369 51.226 1.00 0.00 WT2 O ATOM 33401 H1 TIP3 6831 59.702 27.198 50.892 1.00 0.00 WT2 H ATOM 33402 H2 TIP3 6831 60.912 26.290 50.827 1.00 0.00 WT2 H ATOM 33403 OH2 TIP3 6834 57.338 67.065 -4.394 1.00 0.00 WT2 O ATOM 33404 H1 TIP3 6834 57.427 66.257 -4.900 1.00 0.00 WT2 H ATOM 33405 H2 TIP3 6834 57.165 66.770 -3.500 1.00 0.00 WT2 H ATOM 33406 OH2 TIP3 6836 24.468 43.713 -9.559 1.00 0.00 WT2 O ATOM 33407 H1 TIP3 6836 24.200 44.025 -8.695 1.00 0.00 WT2 H ATOM 33408 H2 TIP3 6836 25.196 44.283 -9.805 1.00 0.00 WT2 H ATOM 33409 OH2 TIP3 6846 55.728 63.057 26.525 1.00 0.00 WT2 O ATOM 33410 H1 TIP3 6846 55.733 63.089 25.568 1.00 0.00 WT2 H ATOM 33411 H2 TIP3 6846 55.647 62.127 26.734 1.00 0.00 WT2 H ATOM 33412 OH2 TIP3 6848 32.194 61.568 61.337 1.00 0.00 WT2 O ATOM 33413 H1 TIP3 6848 32.641 61.913 60.563 1.00 0.00 WT2 H ATOM 33414 H2 TIP3 6848 31.506 62.208 61.521 1.00 0.00 WT2 H ATOM 33415 OH2 TIP3 6849 88.816 45.901 32.836 1.00 0.00 WT2 O ATOM 33416 H1 TIP3 6849 89.117 45.221 32.232 1.00 0.00 WT2 H ATOM 33417 H2 TIP3 6849 89.188 46.712 32.488 1.00 0.00 WT2 H ATOM 33418 OH2 TIP3 6850 69.640 70.267 58.999 1.00 0.00 WT2 O ATOM 33419 H1 TIP3 6850 69.634 69.336 59.219 1.00 0.00 WT2 H ATOM 33420 H2 TIP3 6850 68.716 70.491 58.882 1.00 0.00 WT2 H ATOM 33421 OH2 TIP3 6851 47.732 52.482 -5.077 1.00 0.00 WT2 O ATOM 33422 H1 TIP3 6851 48.295 52.138 -4.384 1.00 0.00 WT2 H ATOM 33423 H2 TIP3 6851 46.842 52.364 -4.745 1.00 0.00 WT2 H ATOM 33424 OH2 TIP3 6852 73.164 62.011 -7.936 1.00 0.00 WT2 O ATOM 33425 H1 TIP3 6852 73.473 61.156 -7.638 1.00 0.00 WT2 H ATOM 33426 H2 TIP3 6852 73.445 62.620 -7.253 1.00 0.00 WT2 H ATOM 33427 OH2 TIP3 6853 42.100 29.534 -10.825 1.00 0.00 WT2 O ATOM 33428 H1 TIP3 6853 42.148 30.387 -10.394 1.00 0.00 WT2 H ATOM 33429 H2 TIP3 6853 41.734 29.721 -11.689 1.00 0.00 WT2 H ATOM 33430 OH2 TIP3 6854 46.152 6.057 20.599 1.00 0.00 WT2 O ATOM 33431 H1 TIP3 6854 45.222 6.195 20.420 1.00 0.00 WT2 H ATOM 33432 H2 TIP3 6854 46.413 5.361 19.996 1.00 0.00 WT2 H ATOM 33433 OH2 TIP3 6855 69.427 16.618 0.976 1.00 0.00 WT2 O ATOM 33434 H1 TIP3 6855 68.969 16.779 1.801 1.00 0.00 WT2 H ATOM 33435 H2 TIP3 6855 70.060 17.332 0.909 1.00 0.00 WT2 H ATOM 33436 OH2 TIP3 6866 36.377 67.008 50.333 1.00 0.00 WT2 O ATOM 33437 H1 TIP3 6866 35.635 67.453 49.924 1.00 0.00 WT2 H ATOM 33438 H2 TIP3 6866 36.739 66.457 49.639 1.00 0.00 WT2 H ATOM 33439 OH2 TIP3 6867 85.682 26.208 52.364 1.00 0.00 WT2 O ATOM 33440 H1 TIP3 6867 84.956 25.591 52.269 1.00 0.00 WT2 H ATOM 33441 H2 TIP3 6867 86.299 25.766 52.947 1.00 0.00 WT2 H ATOM 33442 OH2 TIP3 6869 59.485 69.960 -9.159 1.00 0.00 WT2 O ATOM 33443 H1 TIP3 6869 60.357 69.610 -8.977 1.00 0.00 WT2 H ATOM 33444 H2 TIP3 6869 59.116 70.144 -8.295 1.00 0.00 WT2 H ATOM 33445 OH2 TIP3 6870 36.194 32.334 42.531 1.00 0.00 WT2 O ATOM 33446 H1 TIP3 6870 36.705 33.074 42.201 1.00 0.00 WT2 H ATOM 33447 H2 TIP3 6870 36.661 32.052 43.317 1.00 0.00 WT2 H ATOM 33448 OH2 TIP3 6872 64.134 49.980 41.760 1.00 0.00 WT2 O ATOM 33449 H1 TIP3 6872 63.756 50.842 41.589 1.00 0.00 WT2 H ATOM 33450 H2 TIP3 6872 64.771 50.131 42.458 1.00 0.00 WT2 H ATOM 33451 OH2 TIP3 6874 29.635 22.843 24.767 1.00 0.00 WT2 O ATOM 33452 H1 TIP3 6874 30.057 23.295 25.497 1.00 0.00 WT2 H ATOM 33453 H2 TIP3 6874 30.238 22.960 24.032 1.00 0.00 WT2 H ATOM 33454 OH2 TIP3 6886 24.546 47.476 38.254 1.00 0.00 WT2 O ATOM 33455 H1 TIP3 6886 23.897 47.625 37.567 1.00 0.00 WT2 H ATOM 33456 H2 TIP3 6886 25.055 46.726 37.945 1.00 0.00 WT2 H ATOM 33457 OH2 TIP3 6887 74.198 28.847 11.224 1.00 0.00 WT2 O ATOM 33458 H1 TIP3 6887 74.016 27.909 11.285 1.00 0.00 WT2 H ATOM 33459 H2 TIP3 6887 74.028 29.066 10.308 1.00 0.00 WT2 H ATOM 33460 OH2 TIP3 6889 49.060 64.151 -11.844 1.00 0.00 WT2 O ATOM 33461 H1 TIP3 6889 48.371 63.492 -11.753 1.00 0.00 WT2 H ATOM 33462 H2 TIP3 6889 49.219 64.457 -10.950 1.00 0.00 WT2 H ATOM 33463 OH2 TIP3 6890 44.444 77.611 27.623 1.00 0.00 WT2 O ATOM 33464 H1 TIP3 6890 45.329 77.476 27.284 1.00 0.00 WT2 H ATOM 33465 H2 TIP3 6890 44.007 76.769 27.494 1.00 0.00 WT2 H ATOM 33466 OH2 TIP3 6893 84.646 11.710 -2.100 1.00 0.00 WT2 O ATOM 33467 H1 TIP3 6893 85.311 11.930 -2.751 1.00 0.00 WT2 H ATOM 33468 H2 TIP3 6893 83.815 11.791 -2.569 1.00 0.00 WT2 H ATOM 33469 OH2 TIP3 6896 44.903 75.784 6.346 1.00 0.00 WT2 O ATOM 33470 H1 TIP3 6896 44.603 74.918 6.069 1.00 0.00 WT2 H ATOM 33471 H2 TIP3 6896 45.807 75.646 6.629 1.00 0.00 WT2 H ATOM 33472 OH2 TIP3 6910 20.274 50.743 14.964 1.00 0.00 WT2 O ATOM 33473 H1 TIP3 6910 20.915 51.438 14.810 1.00 0.00 WT2 H ATOM 33474 H2 TIP3 6910 20.415 50.124 14.247 1.00 0.00 WT2 H ATOM 33475 OH2 TIP3 6911 29.857 41.561 41.939 1.00 0.00 WT2 O ATOM 33476 H1 TIP3 6911 30.329 42.391 41.869 1.00 0.00 WT2 H ATOM 33477 H2 TIP3 6911 29.237 41.576 41.210 1.00 0.00 WT2 H ATOM 33478 OH2 TIP3 6913 38.683 87.633 28.578 1.00 0.00 WT2 O ATOM 33479 H1 TIP3 6913 39.114 88.028 27.820 1.00 0.00 WT2 H ATOM 33480 H2 TIP3 6913 39.110 86.783 28.683 1.00 0.00 WT2 H ATOM 33481 OH2 TIP3 6914 75.365 10.814 -19.469 1.00 0.00 WT2 O ATOM 33482 H1 TIP3 6914 74.594 10.451 -19.904 1.00 0.00 WT2 H ATOM 33483 H2 TIP3 6914 75.080 10.973 -18.569 1.00 0.00 WT2 H ATOM 33484 OH2 TIP3 6915 57.030 8.420 -16.539 1.00 0.00 WT2 O ATOM 33485 H1 TIP3 6915 57.719 8.270 -17.187 1.00 0.00 WT2 H ATOM 33486 H2 TIP3 6915 57.501 8.578 -15.721 1.00 0.00 WT2 H ATOM 33487 OH2 TIP3 6916 66.819 96.063 20.958 1.00 0.00 WT2 O ATOM 33488 H1 TIP3 6916 67.115 96.085 20.048 1.00 0.00 WT2 H ATOM 33489 H2 TIP3 6916 66.050 95.494 20.947 1.00 0.00 WT2 H ATOM 33490 OH2 TIP3 6919 83.004 79.800 39.131 1.00 0.00 WT2 O ATOM 33491 H1 TIP3 6919 82.053 79.864 39.224 1.00 0.00 WT2 H ATOM 33492 H2 TIP3 6919 83.227 78.956 39.523 1.00 0.00 WT2 H ATOM 33493 OH2 TIP3 6928 58.489 51.566 -15.581 1.00 0.00 WT2 O ATOM 33494 H1 TIP3 6928 59.000 51.020 -14.983 1.00 0.00 WT2 H ATOM 33495 H2 TIP3 6928 58.830 51.355 -16.450 1.00 0.00 WT2 H ATOM 33496 OH2 TIP3 6932 68.246 35.776 51.811 1.00 0.00 WT2 O ATOM 33497 H1 TIP3 6932 67.606 35.124 52.098 1.00 0.00 WT2 H ATOM 33498 H2 TIP3 6932 67.718 36.495 51.464 1.00 0.00 WT2 H ATOM 33499 OH2 TIP3 6933 69.957 76.149 30.392 1.00 0.00 WT2 O ATOM 33500 H1 TIP3 6933 69.243 76.593 29.935 1.00 0.00 WT2 H ATOM 33501 H2 TIP3 6933 69.835 76.383 31.312 1.00 0.00 WT2 H ATOM 33502 OH2 TIP3 6935 68.236 54.914 8.988 1.00 0.00 WT2 O ATOM 33503 H1 TIP3 6935 68.136 55.538 9.707 1.00 0.00 WT2 H ATOM 33504 H2 TIP3 6935 68.471 54.091 9.415 1.00 0.00 WT2 H ATOM 33505 OH2 TIP3 6936 65.567 24.729 43.732 1.00 0.00 WT2 O ATOM 33506 H1 TIP3 6936 65.320 24.294 42.916 1.00 0.00 WT2 H ATOM 33507 H2 TIP3 6936 65.787 25.623 43.470 1.00 0.00 WT2 H ATOM 33508 OH2 TIP3 6952 78.668 2.417 -13.355 1.00 0.00 WT2 O ATOM 33509 H1 TIP3 6952 78.120 2.195 -12.603 1.00 0.00 WT2 H ATOM 33510 H2 TIP3 6952 78.164 2.126 -14.115 1.00 0.00 WT2 H ATOM 33511 OH2 TIP3 6953 52.949 29.364 36.342 1.00 0.00 WT2 O ATOM 33512 H1 TIP3 6953 53.827 29.425 35.966 1.00 0.00 WT2 H ATOM 33513 H2 TIP3 6953 52.360 29.440 35.591 1.00 0.00 WT2 H ATOM 33514 OH2 TIP3 6955 43.729 70.422 30.735 1.00 0.00 WT2 O ATOM 33515 H1 TIP3 6955 43.705 70.608 31.674 1.00 0.00 WT2 H ATOM 33516 H2 TIP3 6955 44.627 70.628 30.473 1.00 0.00 WT2 H ATOM 33517 OH2 TIP3 6957 71.321 30.791 27.157 1.00 0.00 WT2 O ATOM 33518 H1 TIP3 6957 70.408 30.598 26.944 1.00 0.00 WT2 H ATOM 33519 H2 TIP3 6957 71.815 30.471 26.402 1.00 0.00 WT2 H ATOM 33520 OH2 TIP3 6959 43.935 53.156 -17.057 1.00 0.00 WT2 O ATOM 33521 H1 TIP3 6959 43.066 53.545 -17.148 1.00 0.00 WT2 H ATOM 33522 H2 TIP3 6959 44.227 53.423 -16.185 1.00 0.00 WT2 H ATOM 33523 OH2 TIP3 6970 20.053 89.961 37.975 1.00 0.00 WT2 O ATOM 33524 H1 TIP3 6970 20.090 89.310 37.274 1.00 0.00 WT2 H ATOM 33525 H2 TIP3 6970 20.946 90.299 38.036 1.00 0.00 WT2 H ATOM 33526 OH2 TIP3 6973 64.757 49.917 -5.853 1.00 0.00 WT2 O ATOM 33527 H1 TIP3 6973 65.217 49.498 -5.126 1.00 0.00 WT2 H ATOM 33528 H2 TIP3 6973 63.829 49.823 -5.637 1.00 0.00 WT2 H ATOM 33529 OH2 TIP3 6975 62.455 91.008 -17.883 1.00 0.00 WT2 O ATOM 33530 H1 TIP3 6975 63.082 91.731 -17.894 1.00 0.00 WT2 H ATOM 33531 H2 TIP3 6975 61.623 91.408 -18.137 1.00 0.00 WT2 H ATOM 33532 OH2 TIP3 6977 48.127 31.782 34.758 1.00 0.00 WT2 O ATOM 33533 H1 TIP3 6977 47.598 32.114 35.484 1.00 0.00 WT2 H ATOM 33534 H2 TIP3 6977 48.408 32.568 34.288 1.00 0.00 WT2 H ATOM 33535 OH2 TIP3 6978 58.861 43.207 44.114 1.00 0.00 WT2 O ATOM 33536 H1 TIP3 6978 59.709 43.646 44.188 1.00 0.00 WT2 H ATOM 33537 H2 TIP3 6978 59.063 42.361 43.714 1.00 0.00 WT2 H ATOM 33538 OH2 TIP3 6980 37.041 30.591 1.695 1.00 0.00 WT2 O ATOM 33539 H1 TIP3 6980 36.091 30.596 1.578 1.00 0.00 WT2 H ATOM 33540 H2 TIP3 6980 37.214 29.810 2.222 1.00 0.00 WT2 H ATOM 33541 OH2 TIP3 6993 50.478 55.013 43.983 1.00 0.00 WT2 O ATOM 33542 H1 TIP3 6993 50.998 55.817 43.978 1.00 0.00 WT2 H ATOM 33543 H2 TIP3 6993 49.651 55.260 43.567 1.00 0.00 WT2 H ATOM 33544 OH2 TIP3 6995 39.434 37.979 55.803 1.00 0.00 WT2 O ATOM 33545 H1 TIP3 6995 39.109 38.824 56.114 1.00 0.00 WT2 H ATOM 33546 H2 TIP3 6995 40.086 38.203 55.138 1.00 0.00 WT2 H ATOM 33547 OH2 TIP3 6997 36.729 56.292 24.718 1.00 0.00 WT2 O ATOM 33548 H1 TIP3 6997 36.296 57.140 24.625 1.00 0.00 WT2 H ATOM 33549 H2 TIP3 6997 37.571 56.497 25.125 1.00 0.00 WT2 H ATOM 33550 OH2 TIP3 6998 77.722 53.992 57.257 1.00 0.00 WT2 O ATOM 33551 H1 TIP3 6998 77.903 53.982 58.197 1.00 0.00 WT2 H ATOM 33552 H2 TIP3 6998 77.385 54.872 57.087 1.00 0.00 WT2 H ATOM 33553 OH2 TIP3 6999 75.627 39.985 47.151 1.00 0.00 WT2 O ATOM 33554 H1 TIP3 6999 75.378 39.706 46.270 1.00 0.00 WT2 H ATOM 33555 H2 TIP3 6999 75.694 39.171 47.650 1.00 0.00 WT2 H ATOM 33556 OH2 TIP3 7000 55.304 40.540 -10.874 1.00 0.00 WT2 O ATOM 33557 H1 TIP3 7000 55.070 41.298 -10.340 1.00 0.00 WT2 H ATOM 33558 H2 TIP3 7000 54.967 40.747 -11.746 1.00 0.00 WT2 H ATOM 33559 OH2 TIP3 7002 60.460 53.495 -19.296 1.00 0.00 WT2 O ATOM 33560 H1 TIP3 7002 59.814 53.951 -18.756 1.00 0.00 WT2 H ATOM 33561 H2 TIP3 7002 61.255 54.021 -19.216 1.00 0.00 WT2 H ATOM 33562 OH2 TIP3 7015 54.126 16.421 52.966 1.00 0.00 WT2 O ATOM 33563 H1 TIP3 7015 54.851 16.967 53.271 1.00 0.00 WT2 H ATOM 33564 H2 TIP3 7015 54.164 16.484 52.011 1.00 0.00 WT2 H ATOM 33565 OH2 TIP3 7017 44.996 24.803 47.617 1.00 0.00 WT2 O ATOM 33566 H1 TIP3 7017 44.805 25.344 48.383 1.00 0.00 WT2 H ATOM 33567 H2 TIP3 7017 45.394 25.407 46.990 1.00 0.00 WT2 H ATOM 33568 OH2 TIP3 7018 60.747 83.365 -17.272 1.00 0.00 WT2 O ATOM 33569 H1 TIP3 7018 60.283 82.705 -17.787 1.00 0.00 WT2 H ATOM 33570 H2 TIP3 7018 61.407 83.715 -17.871 1.00 0.00 WT2 H ATOM 33571 OH2 TIP3 7019 37.079 89.341 5.555 1.00 0.00 WT2 O ATOM 33572 H1 TIP3 7019 36.481 89.801 6.144 1.00 0.00 WT2 H ATOM 33573 H2 TIP3 7019 37.490 90.035 5.039 1.00 0.00 WT2 H ATOM 33574 OH2 TIP3 7020 25.653 85.243 -13.513 1.00 0.00 WT2 O ATOM 33575 H1 TIP3 7020 25.628 84.864 -14.392 1.00 0.00 WT2 H ATOM 33576 H2 TIP3 7020 26.561 85.523 -13.399 1.00 0.00 WT2 H ATOM 33577 OH2 TIP3 7021 63.454 20.661 -10.735 1.00 0.00 WT2 O ATOM 33578 H1 TIP3 7021 62.799 21.336 -10.558 1.00 0.00 WT2 H ATOM 33579 H2 TIP3 7021 64.256 21.149 -10.923 1.00 0.00 WT2 H ATOM 33580 OH2 TIP3 7023 89.351 56.970 26.357 1.00 0.00 WT2 O ATOM 33581 H1 TIP3 7023 89.875 56.338 26.849 1.00 0.00 WT2 H ATOM 33582 H2 TIP3 7023 88.889 56.444 25.705 1.00 0.00 WT2 H ATOM 33583 OH2 TIP3 7024 40.000 94.399 6.140 1.00 0.00 WT2 O ATOM 33584 H1 TIP3 7024 39.898 93.946 6.977 1.00 0.00 WT2 H ATOM 33585 H2 TIP3 7024 39.122 94.400 5.758 1.00 0.00 WT2 H ATOM 33586 OH2 TIP3 7035 80.360 21.010 46.688 1.00 0.00 WT2 O ATOM 33587 H1 TIP3 7035 80.863 21.452 46.004 1.00 0.00 WT2 H ATOM 33588 H2 TIP3 7035 80.010 20.228 46.261 1.00 0.00 WT2 H ATOM 33589 OH2 TIP3 7038 84.277 81.876 -16.652 1.00 0.00 WT2 O ATOM 33590 H1 TIP3 7038 84.974 82.522 -16.535 1.00 0.00 WT2 H ATOM 33591 H2 TIP3 7038 84.721 81.030 -16.592 1.00 0.00 WT2 H ATOM 33592 OH2 TIP3 7040 50.209 43.890 65.397 1.00 0.00 WT2 O ATOM 33593 H1 TIP3 7040 51.081 44.008 65.774 1.00 0.00 WT2 H ATOM 33594 H2 TIP3 7040 50.342 43.975 64.453 1.00 0.00 WT2 H ATOM 33595 OH2 TIP3 7041 76.049 33.115 7.799 1.00 0.00 WT2 O ATOM 33596 H1 TIP3 7041 76.762 33.329 8.402 1.00 0.00 WT2 H ATOM 33597 H2 TIP3 7041 75.252 33.269 8.306 1.00 0.00 WT2 H ATOM 33598 OH2 TIP3 7042 59.464 5.639 -3.016 1.00 0.00 WT2 O ATOM 33599 H1 TIP3 7042 59.019 5.816 -2.188 1.00 0.00 WT2 H ATOM 33600 H2 TIP3 7042 60.382 5.515 -2.773 1.00 0.00 WT2 H ATOM 33601 OH2 TIP3 7043 37.673 18.592 45.063 1.00 0.00 WT2 O ATOM 33602 H1 TIP3 7043 36.721 18.656 44.989 1.00 0.00 WT2 H ATOM 33603 H2 TIP3 7043 37.858 17.656 44.987 1.00 0.00 WT2 H ATOM 33604 OH2 TIP3 7044 40.288 37.610 -9.006 1.00 0.00 WT2 O ATOM 33605 H1 TIP3 7044 40.664 38.475 -8.844 1.00 0.00 WT2 H ATOM 33606 H2 TIP3 7044 39.386 37.787 -9.274 1.00 0.00 WT2 H ATOM 33607 OH2 TIP3 7052 75.833 76.459 33.954 1.00 0.00 WT2 O ATOM 33608 H1 TIP3 7052 76.376 75.777 34.348 1.00 0.00 WT2 H ATOM 33609 H2 TIP3 7052 75.903 77.200 34.556 1.00 0.00 WT2 H ATOM 33610 OH2 TIP3 7058 20.937 25.930 24.465 1.00 0.00 WT2 O ATOM 33611 H1 TIP3 7058 20.494 26.663 24.037 1.00 0.00 WT2 H ATOM 33612 H2 TIP3 7058 20.473 25.154 24.153 1.00 0.00 WT2 H ATOM 33613 OH2 TIP3 7059 34.126 75.804 41.737 1.00 0.00 WT2 O ATOM 33614 H1 TIP3 7059 34.264 74.871 41.903 1.00 0.00 WT2 H ATOM 33615 H2 TIP3 7059 34.225 75.896 40.790 1.00 0.00 WT2 H ATOM 33616 OH2 TIP3 7061 27.148 55.571 43.686 1.00 0.00 WT2 O ATOM 33617 H1 TIP3 7061 26.247 55.335 43.906 1.00 0.00 WT2 H ATOM 33618 H2 TIP3 7061 27.086 55.974 42.820 1.00 0.00 WT2 H ATOM 33619 OH2 TIP3 7062 81.836 0.939 -0.274 1.00 0.00 WT2 O ATOM 33620 H1 TIP3 7062 81.504 1.252 -1.115 1.00 0.00 WT2 H ATOM 33621 H2 TIP3 7062 82.786 0.909 -0.388 1.00 0.00 WT2 H ATOM 33622 OH2 TIP3 7063 74.536 13.327 57.145 1.00 0.00 WT2 O ATOM 33623 H1 TIP3 7063 74.874 13.554 58.011 1.00 0.00 WT2 H ATOM 33624 H2 TIP3 7063 74.774 12.408 57.027 1.00 0.00 WT2 H ATOM 33625 OH2 TIP3 7064 45.766 8.313 -19.553 1.00 0.00 WT2 O ATOM 33626 H1 TIP3 7064 45.511 7.466 -19.186 1.00 0.00 WT2 H ATOM 33627 H2 TIP3 7064 46.469 8.620 -18.981 1.00 0.00 WT2 H ATOM 33628 OH2 TIP3 7065 39.066 73.975 65.578 1.00 0.00 WT2 O ATOM 33629 H1 TIP3 7065 39.028 73.133 65.123 1.00 0.00 WT2 H ATOM 33630 H2 TIP3 7065 39.989 74.226 65.542 1.00 0.00 WT2 H ATOM 33631 OH2 TIP3 7066 76.688 74.330 -14.126 1.00 0.00 WT2 O ATOM 33632 H1 TIP3 7066 76.433 73.415 -14.241 1.00 0.00 WT2 H ATOM 33633 H2 TIP3 7066 76.192 74.623 -13.361 1.00 0.00 WT2 H ATOM 33634 OH2 TIP3 7076 87.835 0.928 41.982 1.00 0.00 WT2 O ATOM 33635 H1 TIP3 7076 88.412 1.304 41.318 1.00 0.00 WT2 H ATOM 33636 H2 TIP3 7076 88.172 0.042 42.119 1.00 0.00 WT2 H ATOM 33637 OH2 TIP3 7078 71.537 40.838 13.238 1.00 0.00 WT2 O ATOM 33638 H1 TIP3 7078 70.700 41.225 13.497 1.00 0.00 WT2 H ATOM 33639 H2 TIP3 7078 72.196 41.381 13.670 1.00 0.00 WT2 H ATOM 33640 OH2 TIP3 7081 51.365 24.744 44.582 1.00 0.00 WT2 O ATOM 33641 H1 TIP3 7081 52.014 25.446 44.534 1.00 0.00 WT2 H ATOM 33642 H2 TIP3 7081 51.873 23.962 44.799 1.00 0.00 WT2 H ATOM 33643 OH2 TIP3 7100 72.951 4.108 12.494 1.00 0.00 WT2 O ATOM 33644 H1 TIP3 7100 73.870 4.339 12.627 1.00 0.00 WT2 H ATOM 33645 H2 TIP3 7100 72.763 3.469 13.181 1.00 0.00 WT2 H ATOM 33646 OH2 TIP3 7101 21.835 82.695 29.379 1.00 0.00 WT2 O ATOM 33647 H1 TIP3 7101 22.743 82.804 29.098 1.00 0.00 WT2 H ATOM 33648 H2 TIP3 7101 21.351 83.363 28.895 1.00 0.00 WT2 H ATOM 33649 OH2 TIP3 7102 32.444 96.420 3.746 1.00 0.00 WT2 O ATOM 33650 H1 TIP3 7102 32.230 96.315 2.819 1.00 0.00 WT2 H ATOM 33651 H2 TIP3 7102 32.689 95.542 4.037 1.00 0.00 WT2 H ATOM 33652 OH2 TIP3 7104 79.469 12.262 -4.737 1.00 0.00 WT2 O ATOM 33653 H1 TIP3 7104 78.562 12.427 -4.995 1.00 0.00 WT2 H ATOM 33654 H2 TIP3 7104 79.531 12.607 -3.846 1.00 0.00 WT2 H ATOM 33655 OH2 TIP3 7107 22.272 8.064 39.969 1.00 0.00 WT2 O ATOM 33656 H1 TIP3 7107 22.807 8.847 40.104 1.00 0.00 WT2 H ATOM 33657 H2 TIP3 7107 22.414 7.831 39.052 1.00 0.00 WT2 H ATOM 33658 OH2 TIP3 7120 48.295 75.923 40.677 1.00 0.00 WT2 O ATOM 33659 H1 TIP3 7120 48.073 76.812 40.955 1.00 0.00 WT2 H ATOM 33660 H2 TIP3 7120 48.128 75.917 39.735 1.00 0.00 WT2 H ATOM 33661 OH2 TIP3 7121 49.649 83.082 30.009 1.00 0.00 WT2 O ATOM 33662 H1 TIP3 7121 49.222 82.755 29.218 1.00 0.00 WT2 H ATOM 33663 H2 TIP3 7121 50.504 82.651 30.016 1.00 0.00 WT2 H ATOM 33664 OH2 TIP3 7122 35.239 57.666 10.287 1.00 0.00 WT2 O ATOM 33665 H1 TIP3 7122 35.467 58.278 10.987 1.00 0.00 WT2 H ATOM 33666 H2 TIP3 7122 35.891 56.969 10.355 1.00 0.00 WT2 H ATOM 33667 OH2 TIP3 7123 52.652 5.815 31.812 1.00 0.00 WT2 O ATOM 33668 H1 TIP3 7123 52.753 5.609 30.882 1.00 0.00 WT2 H ATOM 33669 H2 TIP3 7123 53.164 5.143 32.263 1.00 0.00 WT2 H ATOM 33670 OH2 TIP3 7124 69.280 52.708 26.529 1.00 0.00 WT2 O ATOM 33671 H1 TIP3 7124 68.587 52.617 27.184 1.00 0.00 WT2 H ATOM 33672 H2 TIP3 7124 69.050 52.075 25.849 1.00 0.00 WT2 H ATOM 33673 OH2 TIP3 7125 80.653 43.004 56.900 1.00 0.00 WT2 O ATOM 33674 H1 TIP3 7125 80.513 42.944 55.956 1.00 0.00 WT2 H ATOM 33675 H2 TIP3 7125 80.185 43.797 57.162 1.00 0.00 WT2 H ATOM 33676 OH2 TIP3 7128 76.792 1.280 61.867 1.00 0.00 WT2 O ATOM 33677 H1 TIP3 7128 76.149 1.450 61.180 1.00 0.00 WT2 H ATOM 33678 H2 TIP3 7128 77.072 0.377 61.717 1.00 0.00 WT2 H ATOM 33679 OH2 TIP3 7141 28.052 23.954 0.388 1.00 0.00 WT2 O ATOM 33680 H1 TIP3 7141 27.626 24.512 1.039 1.00 0.00 WT2 H ATOM 33681 H2 TIP3 7141 28.980 23.983 0.618 1.00 0.00 WT2 H ATOM 33682 OH2 TIP3 7142 28.123 46.466 4.498 1.00 0.00 WT2 O ATOM 33683 H1 TIP3 7142 28.096 45.640 4.981 1.00 0.00 WT2 H ATOM 33684 H2 TIP3 7142 27.521 47.040 4.970 1.00 0.00 WT2 H ATOM 33685 OH2 TIP3 7143 30.114 23.457 13.841 1.00 0.00 WT2 O ATOM 33686 H1 TIP3 7143 30.591 23.845 14.574 1.00 0.00 WT2 H ATOM 33687 H2 TIP3 7143 30.641 22.700 13.584 1.00 0.00 WT2 H ATOM 33688 OH2 TIP3 7144 53.026 12.418 50.228 1.00 0.00 WT2 O ATOM 33689 H1 TIP3 7144 52.907 12.138 49.321 1.00 0.00 WT2 H ATOM 33690 H2 TIP3 7144 52.271 12.057 50.692 1.00 0.00 WT2 H ATOM 33691 OH2 TIP3 7145 78.453 53.485 32.649 1.00 0.00 WT2 O ATOM 33692 H1 TIP3 7145 77.737 54.072 32.890 1.00 0.00 WT2 H ATOM 33693 H2 TIP3 7145 78.469 53.505 31.693 1.00 0.00 WT2 H ATOM 33694 OH2 TIP3 7146 46.188 85.585 63.332 1.00 0.00 WT2 O ATOM 33695 H1 TIP3 7146 46.064 85.453 64.272 1.00 0.00 WT2 H ATOM 33696 H2 TIP3 7146 46.998 85.117 63.129 1.00 0.00 WT2 H ATOM 33697 OH2 TIP3 7147 43.112 10.176 53.754 1.00 0.00 WT2 O ATOM 33698 H1 TIP3 7147 43.353 10.868 53.138 1.00 0.00 WT2 H ATOM 33699 H2 TIP3 7147 43.213 10.578 54.617 1.00 0.00 WT2 H ATOM 33700 OH2 TIP3 7148 87.198 23.022 35.153 1.00 0.00 WT2 O ATOM 33701 H1 TIP3 7148 87.060 22.374 34.462 1.00 0.00 WT2 H ATOM 33702 H2 TIP3 7148 87.783 23.670 34.762 1.00 0.00 WT2 H ATOM 33703 OH2 TIP3 7161 51.527 41.190 -7.281 1.00 0.00 WT2 O ATOM 33704 H1 TIP3 7161 50.788 41.395 -6.708 1.00 0.00 WT2 H ATOM 33705 H2 TIP3 7161 51.930 42.038 -7.467 1.00 0.00 WT2 H ATOM 33706 OH2 TIP3 7166 34.608 80.461 21.065 1.00 0.00 WT2 O ATOM 33707 H1 TIP3 7166 35.462 80.048 20.940 1.00 0.00 WT2 H ATOM 33708 H2 TIP3 7166 34.159 79.899 21.696 1.00 0.00 WT2 H ATOM 33709 OH2 TIP3 7179 76.097 74.691 -18.246 1.00 0.00 WT2 O ATOM 33710 H1 TIP3 7179 75.965 74.693 -19.194 1.00 0.00 WT2 H ATOM 33711 H2 TIP3 7179 75.229 74.517 -17.883 1.00 0.00 WT2 H ATOM 33712 OH2 TIP3 7181 30.163 74.797 33.443 1.00 0.00 WT2 O ATOM 33713 H1 TIP3 7181 29.933 75.276 32.646 1.00 0.00 WT2 H ATOM 33714 H2 TIP3 7181 31.002 75.171 33.714 1.00 0.00 WT2 H ATOM 33715 OH2 TIP3 7182 85.154 2.919 66.477 1.00 0.00 WT2 O ATOM 33716 H1 TIP3 7182 85.299 3.833 66.235 1.00 0.00 WT2 H ATOM 33717 H2 TIP3 7182 85.021 2.939 67.424 1.00 0.00 WT2 H ATOM 33718 OH2 TIP3 7183 67.958 24.222 62.003 1.00 0.00 WT2 O ATOM 33719 H1 TIP3 7183 67.432 23.603 61.496 1.00 0.00 WT2 H ATOM 33720 H2 TIP3 7183 67.316 24.750 62.478 1.00 0.00 WT2 H ATOM 33721 OH2 TIP3 7184 31.763 32.299 -14.876 1.00 0.00 WT2 O ATOM 33722 H1 TIP3 7184 31.988 32.242 -13.948 1.00 0.00 WT2 H ATOM 33723 H2 TIP3 7184 32.541 31.977 -15.332 1.00 0.00 WT2 H ATOM 33724 OH2 TIP3 7185 30.939 3.228 24.579 1.00 0.00 WT2 O ATOM 33725 H1 TIP3 7185 31.026 3.631 23.715 1.00 0.00 WT2 H ATOM 33726 H2 TIP3 7185 30.027 2.942 24.620 1.00 0.00 WT2 H ATOM 33727 OH2 TIP3 7186 73.605 5.178 -0.155 1.00 0.00 WT2 O ATOM 33728 H1 TIP3 7186 74.047 6.008 -0.332 1.00 0.00 WT2 H ATOM 33729 H2 TIP3 7186 73.431 4.809 -1.021 1.00 0.00 WT2 H ATOM 33730 OH2 TIP3 7187 65.134 56.291 -14.694 1.00 0.00 WT2 O ATOM 33731 H1 TIP3 7187 64.861 56.889 -13.999 1.00 0.00 WT2 H ATOM 33732 H2 TIP3 7187 66.084 56.400 -14.745 1.00 0.00 WT2 H ATOM 33733 OH2 TIP3 7188 81.028 18.409 58.848 1.00 0.00 WT2 O ATOM 33734 H1 TIP3 7188 81.014 17.492 59.122 1.00 0.00 WT2 H ATOM 33735 H2 TIP3 7188 80.612 18.882 59.569 1.00 0.00 WT2 H ATOM 33736 OH2 TIP3 7189 26.419 10.384 49.525 1.00 0.00 WT2 O ATOM 33737 H1 TIP3 7189 27.346 10.149 49.515 1.00 0.00 WT2 H ATOM 33738 H2 TIP3 7189 26.094 10.046 50.359 1.00 0.00 WT2 H ATOM 33739 OH2 TIP3 7200 61.700 4.163 21.669 1.00 0.00 WT2 O ATOM 33740 H1 TIP3 7200 60.799 4.314 21.386 1.00 0.00 WT2 H ATOM 33741 H2 TIP3 7200 61.712 4.429 22.588 1.00 0.00 WT2 H ATOM 33742 OH2 TIP3 7203 74.277 60.291 44.177 1.00 0.00 WT2 O ATOM 33743 H1 TIP3 7203 74.649 60.755 44.927 1.00 0.00 WT2 H ATOM 33744 H2 TIP3 7203 73.513 59.835 44.532 1.00 0.00 WT2 H ATOM 33745 OH2 TIP3 7206 64.979 67.568 -18.886 1.00 0.00 WT2 O ATOM 33746 H1 TIP3 7206 65.468 67.110 -19.570 1.00 0.00 WT2 H ATOM 33747 H2 TIP3 7206 65.358 68.447 -18.869 1.00 0.00 WT2 H ATOM 33748 OH2 TIP3 7207 78.685 38.014 38.026 1.00 0.00 WT2 O ATOM 33749 H1 TIP3 7207 79.335 37.602 38.595 1.00 0.00 WT2 H ATOM 33750 H2 TIP3 7207 78.948 37.762 37.140 1.00 0.00 WT2 H ATOM 33751 OH2 TIP3 7210 53.517 90.201 -15.403 1.00 0.00 WT2 O ATOM 33752 H1 TIP3 7210 54.384 89.886 -15.147 1.00 0.00 WT2 H ATOM 33753 H2 TIP3 7210 52.908 89.673 -14.888 1.00 0.00 WT2 H ATOM 33754 OH2 TIP3 7211 85.687 19.183 57.128 1.00 0.00 WT2 O ATOM 33755 H1 TIP3 7211 86.026 18.936 57.989 1.00 0.00 WT2 H ATOM 33756 H2 TIP3 7211 84.741 19.058 57.197 1.00 0.00 WT2 H ATOM 33757 OH2 TIP3 7212 49.378 53.950 -0.424 1.00 0.00 WT2 O ATOM 33758 H1 TIP3 7212 49.522 53.491 0.404 1.00 0.00 WT2 H ATOM 33759 H2 TIP3 7212 49.247 54.864 -0.172 1.00 0.00 WT2 H ATOM 33760 OH2 TIP3 7213 24.814 18.949 46.986 1.00 0.00 WT2 O ATOM 33761 H1 TIP3 7213 24.614 18.221 46.398 1.00 0.00 WT2 H ATOM 33762 H2 TIP3 7213 25.221 19.607 46.422 1.00 0.00 WT2 H ATOM 33763 OH2 TIP3 7222 86.986 94.737 5.445 1.00 0.00 WT2 O ATOM 33764 H1 TIP3 7222 87.199 94.490 6.345 1.00 0.00 WT2 H ATOM 33765 H2 TIP3 7222 86.046 94.916 5.461 1.00 0.00 WT2 H ATOM 33766 OH2 TIP3 7226 25.897 31.167 65.011 1.00 0.00 WT2 O ATOM 33767 H1 TIP3 7226 26.655 31.593 65.413 1.00 0.00 WT2 H ATOM 33768 H2 TIP3 7226 25.149 31.692 65.294 1.00 0.00 WT2 H ATOM 33769 OH2 TIP3 7227 50.699 21.565 31.042 1.00 0.00 WT2 O ATOM 33770 H1 TIP3 7227 51.078 20.749 30.717 1.00 0.00 WT2 H ATOM 33771 H2 TIP3 7227 49.845 21.621 30.613 1.00 0.00 WT2 H ATOM 33772 OH2 TIP3 7228 21.505 9.006 -11.843 1.00 0.00 WT2 O ATOM 33773 H1 TIP3 7228 22.062 9.537 -12.412 1.00 0.00 WT2 H ATOM 33774 H2 TIP3 7228 21.500 8.141 -12.253 1.00 0.00 WT2 H ATOM 33775 OH2 TIP3 7229 60.541 53.037 58.129 1.00 0.00 WT2 O ATOM 33776 H1 TIP3 7229 59.990 53.788 58.350 1.00 0.00 WT2 H ATOM 33777 H2 TIP3 7229 60.343 52.856 57.210 1.00 0.00 WT2 H ATOM 33778 OH2 TIP3 7230 34.178 23.558 -5.331 1.00 0.00 WT2 O ATOM 33779 H1 TIP3 7230 35.029 23.291 -4.985 1.00 0.00 WT2 H ATOM 33780 H2 TIP3 7230 33.950 22.875 -5.961 1.00 0.00 WT2 H ATOM 33781 OH2 TIP3 7246 42.686 43.566 26.497 1.00 0.00 WT2 O ATOM 33782 H1 TIP3 7246 43.196 43.479 25.692 1.00 0.00 WT2 H ATOM 33783 H2 TIP3 7246 42.777 44.487 26.740 1.00 0.00 WT2 H ATOM 33784 OH2 TIP3 7247 62.133 95.118 -15.911 1.00 0.00 WT2 O ATOM 33785 H1 TIP3 7247 61.778 94.399 -15.388 1.00 0.00 WT2 H ATOM 33786 H2 TIP3 7247 61.527 95.844 -15.763 1.00 0.00 WT2 H ATOM 33787 OH2 TIP3 7248 76.414 17.466 65.640 1.00 0.00 WT2 O ATOM 33788 H1 TIP3 7248 77.262 17.173 65.305 1.00 0.00 WT2 H ATOM 33789 H2 TIP3 7248 75.868 16.681 65.631 1.00 0.00 WT2 H ATOM 33790 OH2 TIP3 7249 26.093 36.529 39.662 1.00 0.00 WT2 O ATOM 33791 H1 TIP3 7249 25.857 37.412 39.377 1.00 0.00 WT2 H ATOM 33792 H2 TIP3 7249 25.556 35.951 39.120 1.00 0.00 WT2 H ATOM 33793 OH2 TIP3 7250 78.823 94.252 65.531 1.00 0.00 WT2 O ATOM 33794 H1 TIP3 7250 78.794 94.391 64.584 1.00 0.00 WT2 H ATOM 33795 H2 TIP3 7250 78.279 94.952 65.893 1.00 0.00 WT2 H ATOM 33796 OH2 TIP3 7251 42.373 23.519 41.983 1.00 0.00 WT2 O ATOM 33797 H1 TIP3 7251 41.450 23.421 41.750 1.00 0.00 WT2 H ATOM 33798 H2 TIP3 7251 42.802 23.770 41.165 1.00 0.00 WT2 H ATOM 33799 OH2 TIP3 7253 56.163 93.770 41.083 1.00 0.00 WT2 O ATOM 33800 H1 TIP3 7253 55.861 93.740 40.176 1.00 0.00 WT2 H ATOM 33801 H2 TIP3 7253 56.807 93.064 41.145 1.00 0.00 WT2 H ATOM 33802 OH2 TIP3 7254 53.073 91.401 65.868 1.00 0.00 WT2 O ATOM 33803 H1 TIP3 7254 52.820 90.538 66.196 1.00 0.00 WT2 H ATOM 33804 H2 TIP3 7254 53.680 91.740 66.526 1.00 0.00 WT2 H ATOM 33805 OH2 TIP3 7264 55.261 42.813 -9.533 1.00 0.00 WT2 O ATOM 33806 H1 TIP3 7264 54.823 43.414 -10.136 1.00 0.00 WT2 H ATOM 33807 H2 TIP3 7264 55.398 43.329 -8.738 1.00 0.00 WT2 H ATOM 33808 OH2 TIP3 7267 77.071 66.702 38.240 1.00 0.00 WT2 O ATOM 33809 H1 TIP3 7267 76.706 67.357 37.645 1.00 0.00 WT2 H ATOM 33810 H2 TIP3 7267 76.333 66.128 38.447 1.00 0.00 WT2 H ATOM 33811 OH2 TIP3 7268 38.433 50.709 57.276 1.00 0.00 WT2 O ATOM 33812 H1 TIP3 7268 37.968 50.833 56.449 1.00 0.00 WT2 H ATOM 33813 H2 TIP3 7268 39.293 51.104 57.129 1.00 0.00 WT2 H ATOM 33814 OH2 TIP3 7269 72.826 12.472 38.837 1.00 0.00 WT2 O ATOM 33815 H1 TIP3 7269 73.583 12.412 38.254 1.00 0.00 WT2 H ATOM 33816 H2 TIP3 7269 73.145 12.150 39.680 1.00 0.00 WT2 H ATOM 33817 OH2 TIP3 7270 32.446 21.744 49.443 1.00 0.00 WT2 O ATOM 33818 H1 TIP3 7270 31.493 21.649 49.439 1.00 0.00 WT2 H ATOM 33819 H2 TIP3 7270 32.641 22.170 50.278 1.00 0.00 WT2 H ATOM 33820 OH2 TIP3 7271 87.277 68.425 -16.242 1.00 0.00 WT2 O ATOM 33821 H1 TIP3 7271 86.358 68.555 -16.474 1.00 0.00 WT2 H ATOM 33822 H2 TIP3 7271 87.259 68.185 -15.315 1.00 0.00 WT2 H ATOM 33823 OH2 TIP3 7272 52.780 22.534 15.851 1.00 0.00 WT2 O ATOM 33824 H1 TIP3 7272 51.834 22.572 15.993 1.00 0.00 WT2 H ATOM 33825 H2 TIP3 7272 53.128 23.273 16.350 1.00 0.00 WT2 H ATOM 33826 OH2 TIP3 7273 23.403 49.113 16.764 1.00 0.00 WT2 O ATOM 33827 H1 TIP3 7273 24.010 49.678 17.241 1.00 0.00 WT2 H ATOM 33828 H2 TIP3 7273 22.636 49.048 17.333 1.00 0.00 WT2 H ATOM 33829 OH2 TIP3 7276 88.692 80.495 -7.662 1.00 0.00 WT2 O ATOM 33830 H1 TIP3 7276 89.321 80.094 -8.261 1.00 0.00 WT2 H ATOM 33831 H2 TIP3 7276 88.112 79.778 -7.407 1.00 0.00 WT2 H ATOM 33832 OH2 TIP3 7287 76.561 9.596 -11.218 1.00 0.00 WT2 O ATOM 33833 H1 TIP3 7287 76.077 10.421 -11.182 1.00 0.00 WT2 H ATOM 33834 H2 TIP3 7287 76.976 9.598 -12.081 1.00 0.00 WT2 H ATOM 33835 OH2 TIP3 7291 85.395 24.968 3.945 1.00 0.00 WT2 O ATOM 33836 H1 TIP3 7291 85.115 24.181 4.413 1.00 0.00 WT2 H ATOM 33837 H2 TIP3 7291 86.234 25.198 4.345 1.00 0.00 WT2 H ATOM 33838 OH2 TIP3 7293 53.413 28.755 -13.232 1.00 0.00 WT2 O ATOM 33839 H1 TIP3 7293 53.222 29.693 -13.260 1.00 0.00 WT2 H ATOM 33840 H2 TIP3 7293 52.997 28.449 -12.426 1.00 0.00 WT2 H ATOM 33841 OH2 TIP3 7294 43.298 30.173 -18.557 1.00 0.00 WT2 O ATOM 33842 H1 TIP3 7294 43.334 30.771 -17.810 1.00 0.00 WT2 H ATOM 33843 H2 TIP3 7294 42.952 30.704 -19.274 1.00 0.00 WT2 H ATOM 33844 OH2 TIP3 7297 33.758 7.160 -10.060 1.00 0.00 WT2 O ATOM 33845 H1 TIP3 7297 34.189 7.223 -10.912 1.00 0.00 WT2 H ATOM 33846 H2 TIP3 7297 33.217 7.948 -10.005 1.00 0.00 WT2 H ATOM 33847 OH2 TIP3 7307 25.687 25.416 34.573 1.00 0.00 WT2 O ATOM 33848 H1 TIP3 7307 26.005 24.652 34.092 1.00 0.00 WT2 H ATOM 33849 H2 TIP3 7307 25.129 25.879 33.948 1.00 0.00 WT2 H ATOM 33850 OH2 TIP3 7310 71.756 27.007 45.733 1.00 0.00 WT2 O ATOM 33851 H1 TIP3 7310 72.188 26.800 44.904 1.00 0.00 WT2 H ATOM 33852 H2 TIP3 7310 72.116 26.376 46.356 1.00 0.00 WT2 H ATOM 33853 OH2 TIP3 7311 80.418 12.037 46.625 1.00 0.00 WT2 O ATOM 33854 H1 TIP3 7311 81.066 11.890 47.314 1.00 0.00 WT2 H ATOM 33855 H2 TIP3 7311 79.775 12.624 47.023 1.00 0.00 WT2 H ATOM 33856 OH2 TIP3 7312 42.163 38.737 50.253 1.00 0.00 WT2 O ATOM 33857 H1 TIP3 7312 41.676 39.369 49.725 1.00 0.00 WT2 H ATOM 33858 H2 TIP3 7312 41.647 37.932 50.202 1.00 0.00 WT2 H ATOM 33859 OH2 TIP3 7313 87.110 -0.078 45.140 1.00 0.00 WT2 O ATOM 33860 H1 TIP3 7313 86.354 0.220 44.634 1.00 0.00 WT2 H ATOM 33861 H2 TIP3 7313 86.846 0.031 46.054 1.00 0.00 WT2 H ATOM 33862 OH2 TIP3 7314 29.474 14.179 0.064 1.00 0.00 WT2 O ATOM 33863 H1 TIP3 7314 29.719 14.630 -0.745 1.00 0.00 WT2 H ATOM 33864 H2 TIP3 7314 30.278 13.745 0.348 1.00 0.00 WT2 H ATOM 33865 OH2 TIP3 7315 78.512 60.697 28.233 1.00 0.00 WT2 O ATOM 33866 H1 TIP3 7315 77.710 61.101 28.564 1.00 0.00 WT2 H ATOM 33867 H2 TIP3 7315 78.786 61.264 27.512 1.00 0.00 WT2 H ATOM 33868 OH2 TIP3 7328 80.318 14.880 -2.277 1.00 0.00 WT2 O ATOM 33869 H1 TIP3 7328 79.602 14.246 -2.316 1.00 0.00 WT2 H ATOM 33870 H2 TIP3 7328 80.237 15.281 -1.412 1.00 0.00 WT2 H ATOM 33871 OH2 TIP3 7331 51.226 50.100 -17.680 1.00 0.00 WT2 O ATOM 33872 H1 TIP3 7331 50.347 49.790 -17.463 1.00 0.00 WT2 H ATOM 33873 H2 TIP3 7331 51.812 49.518 -17.197 1.00 0.00 WT2 H ATOM 33874 OH2 TIP3 7333 89.506 30.744 -11.607 1.00 0.00 WT2 O ATOM 33875 H1 TIP3 7333 90.079 30.010 -11.826 1.00 0.00 WT2 H ATOM 33876 H2 TIP3 7333 89.143 31.025 -12.447 1.00 0.00 WT2 H ATOM 33877 OH2 TIP3 7334 82.331 59.928 25.052 1.00 0.00 WT2 O ATOM 33878 H1 TIP3 7334 82.908 59.190 25.252 1.00 0.00 WT2 H ATOM 33879 H2 TIP3 7334 82.121 59.824 24.124 1.00 0.00 WT2 H ATOM 33880 OH2 TIP3 7335 45.800 35.506 64.525 1.00 0.00 WT2 O ATOM 33881 H1 TIP3 7335 46.262 35.200 65.306 1.00 0.00 WT2 H ATOM 33882 H2 TIP3 7335 44.885 35.575 64.799 1.00 0.00 WT2 H ATOM 33883 OH2 TIP3 7336 30.270 25.132 -8.359 1.00 0.00 WT2 O ATOM 33884 H1 TIP3 7336 30.278 24.602 -7.563 1.00 0.00 WT2 H ATOM 33885 H2 TIP3 7336 30.888 25.840 -8.183 1.00 0.00 WT2 H ATOM 33886 OH2 TIP3 7339 66.501 39.213 53.541 1.00 0.00 WT2 O ATOM 33887 H1 TIP3 7339 66.197 40.060 53.217 1.00 0.00 WT2 H ATOM 33888 H2 TIP3 7339 65.715 38.792 53.890 1.00 0.00 WT2 H ATOM 33889 OH2 TIP3 7351 70.941 27.703 62.926 1.00 0.00 WT2 O ATOM 33890 H1 TIP3 7351 70.903 27.723 61.970 1.00 0.00 WT2 H ATOM 33891 H2 TIP3 7351 70.887 28.623 63.188 1.00 0.00 WT2 H ATOM 33892 OH2 TIP3 7352 79.114 79.409 0.706 1.00 0.00 WT2 O ATOM 33893 H1 TIP3 7352 79.054 80.361 0.629 1.00 0.00 WT2 H ATOM 33894 H2 TIP3 7352 79.230 79.251 1.643 1.00 0.00 WT2 H ATOM 33895 OH2 TIP3 7353 39.295 0.070 57.058 1.00 0.00 WT2 O ATOM 33896 H1 TIP3 7353 39.800 0.058 56.245 1.00 0.00 WT2 H ATOM 33897 H2 TIP3 7353 38.438 -0.278 56.814 1.00 0.00 WT2 H ATOM 33898 OH2 TIP3 7354 29.877 16.718 54.036 1.00 0.00 WT2 O ATOM 33899 H1 TIP3 7354 29.965 16.401 53.137 1.00 0.00 WT2 H ATOM 33900 H2 TIP3 7354 30.654 16.387 54.485 1.00 0.00 WT2 H ATOM 33901 OH2 TIP3 7355 88.569 11.183 48.006 1.00 0.00 WT2 O ATOM 33902 H1 TIP3 7355 89.443 10.808 47.902 1.00 0.00 WT2 H ATOM 33903 H2 TIP3 7355 88.547 11.493 48.911 1.00 0.00 WT2 H ATOM 33904 OH2 TIP3 7356 47.894 45.837 -10.035 1.00 0.00 WT2 O ATOM 33905 H1 TIP3 7356 48.033 44.895 -10.128 1.00 0.00 WT2 H ATOM 33906 H2 TIP3 7356 48.718 46.167 -9.675 1.00 0.00 WT2 H ATOM 33907 OH2 TIP3 7357 43.013 34.170 59.010 1.00 0.00 WT2 O ATOM 33908 H1 TIP3 7357 42.178 34.366 58.584 1.00 0.00 WT2 H ATOM 33909 H2 TIP3 7357 43.324 35.018 59.328 1.00 0.00 WT2 H ATOM 33910 OH2 TIP3 7359 43.970 60.951 -18.326 1.00 0.00 WT2 O ATOM 33911 H1 TIP3 7359 44.803 61.196 -18.728 1.00 0.00 WT2 H ATOM 33912 H2 TIP3 7359 44.191 60.755 -17.416 1.00 0.00 WT2 H ATOM 33913 OH2 TIP3 7370 23.248 39.047 -13.927 1.00 0.00 WT2 O ATOM 33914 H1 TIP3 7370 22.964 38.281 -13.427 1.00 0.00 WT2 H ATOM 33915 H2 TIP3 7370 23.561 39.663 -13.264 1.00 0.00 WT2 H ATOM 33916 OH2 TIP3 7371 88.285 21.734 -7.642 1.00 0.00 WT2 O ATOM 33917 H1 TIP3 7371 89.058 21.468 -8.139 1.00 0.00 WT2 H ATOM 33918 H2 TIP3 7371 87.986 20.932 -7.214 1.00 0.00 WT2 H ATOM 33919 OH2 TIP3 7374 24.105 62.428 63.669 1.00 0.00 WT2 O ATOM 33920 H1 TIP3 7374 23.262 62.371 63.219 1.00 0.00 WT2 H ATOM 33921 H2 TIP3 7374 23.939 62.063 64.538 1.00 0.00 WT2 H ATOM 33922 OH2 TIP3 7376 57.007 48.481 -3.586 1.00 0.00 WT2 O ATOM 33923 H1 TIP3 7376 56.951 49.409 -3.360 1.00 0.00 WT2 H ATOM 33924 H2 TIP3 7376 56.502 48.037 -2.905 1.00 0.00 WT2 H ATOM 33925 OH2 TIP3 7378 56.386 9.793 53.721 1.00 0.00 WT2 O ATOM 33926 H1 TIP3 7378 56.327 10.581 53.181 1.00 0.00 WT2 H ATOM 33927 H2 TIP3 7378 56.999 9.226 53.253 1.00 0.00 WT2 H ATOM 33928 OH2 TIP3 7379 52.788 24.210 48.182 1.00 0.00 WT2 O ATOM 33929 H1 TIP3 7379 53.404 23.479 48.137 1.00 0.00 WT2 H ATOM 33930 H2 TIP3 7379 51.924 23.798 48.143 1.00 0.00 WT2 H ATOM 33931 OH2 TIP3 7380 64.854 91.593 2.530 1.00 0.00 WT2 O ATOM 33932 H1 TIP3 7380 64.801 92.337 1.931 1.00 0.00 WT2 H ATOM 33933 H2 TIP3 7380 64.137 91.731 3.149 1.00 0.00 WT2 H ATOM 33934 OH2 TIP3 7382 20.720 75.880 66.520 1.00 0.00 WT2 O ATOM 33935 H1 TIP3 7382 20.811 76.279 67.385 1.00 0.00 WT2 H ATOM 33936 H2 TIP3 7382 21.526 76.114 66.061 1.00 0.00 WT2 H ATOM 33937 OH2 TIP3 7393 90.364 23.990 49.966 1.00 0.00 WT2 O ATOM 33938 H1 TIP3 7393 91.083 23.975 49.334 1.00 0.00 WT2 H ATOM 33939 H2 TIP3 7393 90.384 23.124 50.373 1.00 0.00 WT2 H ATOM 33940 OH2 TIP3 7394 26.238 65.186 -14.074 1.00 0.00 WT2 O ATOM 33941 H1 TIP3 7394 27.110 65.541 -13.901 1.00 0.00 WT2 H ATOM 33942 H2 TIP3 7394 26.367 64.238 -14.101 1.00 0.00 WT2 H ATOM 33943 OH2 TIP3 7395 44.743 34.706 3.001 1.00 0.00 WT2 O ATOM 33944 H1 TIP3 7395 43.928 34.218 3.125 1.00 0.00 WT2 H ATOM 33945 H2 TIP3 7395 45.241 34.548 3.803 1.00 0.00 WT2 H ATOM 33946 OH2 TIP3 7396 79.149 59.055 25.240 1.00 0.00 WT2 O ATOM 33947 H1 TIP3 7396 79.997 59.337 24.899 1.00 0.00 WT2 H ATOM 33948 H2 TIP3 7396 78.883 59.758 25.833 1.00 0.00 WT2 H ATOM 33949 OH2 TIP3 7397 41.656 39.511 54.433 1.00 0.00 WT2 O ATOM 33950 H1 TIP3 7397 41.442 40.252 54.999 1.00 0.00 WT2 H ATOM 33951 H2 TIP3 7397 42.324 39.850 53.837 1.00 0.00 WT2 H ATOM 33952 OH2 TIP3 7398 32.324 86.601 64.647 1.00 0.00 WT2 O ATOM 33953 H1 TIP3 7398 32.992 87.282 64.572 1.00 0.00 WT2 H ATOM 33954 H2 TIP3 7398 32.370 86.320 65.561 1.00 0.00 WT2 H ATOM 33955 OH2 TIP3 7399 62.050 64.640 52.523 1.00 0.00 WT2 O ATOM 33956 H1 TIP3 7399 61.842 64.060 53.255 1.00 0.00 WT2 H ATOM 33957 H2 TIP3 7399 61.694 64.193 51.754 1.00 0.00 WT2 H ATOM 33958 OH2 TIP3 7400 69.339 60.500 12.700 1.00 0.00 WT2 O ATOM 33959 H1 TIP3 7400 69.463 59.646 12.286 1.00 0.00 WT2 H ATOM 33960 H2 TIP3 7400 68.851 60.310 13.501 1.00 0.00 WT2 H ATOM 33961 OH2 TIP3 7415 88.910 80.655 -16.789 1.00 0.00 WT2 O ATOM 33962 H1 TIP3 7415 88.655 79.732 -16.768 1.00 0.00 WT2 H ATOM 33963 H2 TIP3 7415 88.112 81.129 -16.555 1.00 0.00 WT2 H ATOM 33964 OH2 TIP3 7416 76.320 13.054 63.847 1.00 0.00 WT2 O ATOM 33965 H1 TIP3 7416 76.728 12.723 63.047 1.00 0.00 WT2 H ATOM 33966 H2 TIP3 7416 76.893 12.752 64.551 1.00 0.00 WT2 H ATOM 33967 OH2 TIP3 7418 24.868 16.366 -14.259 1.00 0.00 WT2 O ATOM 33968 H1 TIP3 7418 25.249 17.230 -14.099 1.00 0.00 WT2 H ATOM 33969 H2 TIP3 7418 24.888 16.267 -15.210 1.00 0.00 WT2 H ATOM 33970 OH2 TIP3 7419 39.985 36.896 53.182 1.00 0.00 WT2 O ATOM 33971 H1 TIP3 7419 40.143 35.986 52.928 1.00 0.00 WT2 H ATOM 33972 H2 TIP3 7419 40.857 37.288 53.225 1.00 0.00 WT2 H ATOM 33973 OH2 TIP3 7420 66.192 31.662 46.658 1.00 0.00 WT2 O ATOM 33974 H1 TIP3 7420 66.778 30.906 46.631 1.00 0.00 WT2 H ATOM 33975 H2 TIP3 7420 66.778 32.418 46.694 1.00 0.00 WT2 H ATOM 33976 OH2 TIP3 7421 39.154 18.498 59.753 1.00 0.00 WT2 O ATOM 33977 H1 TIP3 7421 40.052 18.233 59.950 1.00 0.00 WT2 H ATOM 33978 H2 TIP3 7421 38.840 18.902 60.562 1.00 0.00 WT2 H ATOM 33979 OH2 TIP3 7422 30.163 18.869 56.853 1.00 0.00 WT2 O ATOM 33980 H1 TIP3 7422 29.348 18.390 56.703 1.00 0.00 WT2 H ATOM 33981 H2 TIP3 7422 30.821 18.383 56.356 1.00 0.00 WT2 H ATOM 33982 OH2 TIP3 7434 28.468 61.142 -7.287 1.00 0.00 WT2 O ATOM 33983 H1 TIP3 7434 27.849 60.626 -6.771 1.00 0.00 WT2 H ATOM 33984 H2 TIP3 7434 27.995 61.351 -8.092 1.00 0.00 WT2 H ATOM 33985 OH2 TIP3 7435 41.919 92.288 -8.116 1.00 0.00 WT2 O ATOM 33986 H1 TIP3 7435 41.879 92.543 -9.038 1.00 0.00 WT2 H ATOM 33987 H2 TIP3 7435 41.232 91.627 -8.021 1.00 0.00 WT2 H ATOM 33988 OH2 TIP3 7437 20.695 17.267 2.409 1.00 0.00 WT2 O ATOM 33989 H1 TIP3 7437 20.314 18.081 2.080 1.00 0.00 WT2 H ATOM 33990 H2 TIP3 7437 20.135 16.578 2.053 1.00 0.00 WT2 H ATOM 33991 OH2 TIP3 7438 47.270 22.576 32.706 1.00 0.00 WT2 O ATOM 33992 H1 TIP3 7438 47.556 23.437 32.400 1.00 0.00 WT2 H ATOM 33993 H2 TIP3 7438 47.043 22.101 31.906 1.00 0.00 WT2 H ATOM 33994 OH2 TIP3 7439 86.701 93.939 -14.081 1.00 0.00 WT2 O ATOM 33995 H1 TIP3 7439 86.413 93.053 -14.302 1.00 0.00 WT2 H ATOM 33996 H2 TIP3 7439 87.641 93.938 -14.262 1.00 0.00 WT2 H ATOM 33997 OH2 TIP3 7440 46.496 5.917 17.323 1.00 0.00 WT2 O ATOM 33998 H1 TIP3 7440 47.140 6.455 17.783 1.00 0.00 WT2 H ATOM 33999 H2 TIP3 7440 45.755 6.504 17.173 1.00 0.00 WT2 H ATOM 34000 OH2 TIP3 7441 37.414 29.188 32.820 1.00 0.00 WT2 O ATOM 34001 H1 TIP3 7441 37.466 29.672 33.644 1.00 0.00 WT2 H ATOM 34002 H2 TIP3 7441 38.232 28.692 32.781 1.00 0.00 WT2 H ATOM 34003 OH2 TIP3 7443 64.712 74.583 54.737 1.00 0.00 WT2 O ATOM 34004 H1 TIP3 7443 64.439 75.493 54.856 1.00 0.00 WT2 H ATOM 34005 H2 TIP3 7443 65.388 74.621 54.061 1.00 0.00 WT2 H ATOM 34006 OH2 TIP3 7454 88.164 60.985 46.273 1.00 0.00 WT2 O ATOM 34007 H1 TIP3 7454 88.452 61.321 47.121 1.00 0.00 WT2 H ATOM 34008 H2 TIP3 7454 87.352 60.515 46.464 1.00 0.00 WT2 H ATOM 34009 OH2 TIP3 7455 81.161 12.758 56.938 1.00 0.00 WT2 O ATOM 34010 H1 TIP3 7455 81.645 13.119 57.680 1.00 0.00 WT2 H ATOM 34011 H2 TIP3 7455 80.575 13.464 56.667 1.00 0.00 WT2 H ATOM 34012 OH2 TIP3 7457 82.200 58.216 19.866 1.00 0.00 WT2 O ATOM 34013 H1 TIP3 7457 81.882 57.740 20.634 1.00 0.00 WT2 H ATOM 34014 H2 TIP3 7457 82.017 59.135 20.060 1.00 0.00 WT2 H ATOM 34015 OH2 TIP3 7461 68.148 22.989 -3.101 1.00 0.00 WT2 O ATOM 34016 H1 TIP3 7461 68.888 22.454 -3.388 1.00 0.00 WT2 H ATOM 34017 H2 TIP3 7461 68.515 23.568 -2.434 1.00 0.00 WT2 H ATOM 34018 OH2 TIP3 7463 21.895 23.943 48.191 1.00 0.00 WT2 O ATOM 34019 H1 TIP3 7463 22.482 23.730 47.464 1.00 0.00 WT2 H ATOM 34020 H2 TIP3 7463 22.227 24.774 48.531 1.00 0.00 WT2 H ATOM 34021 OH2 TIP3 7475 27.470 68.759 34.174 1.00 0.00 WT2 O ATOM 34022 H1 TIP3 7475 28.009 68.015 33.903 1.00 0.00 WT2 H ATOM 34023 H2 TIP3 7475 27.291 69.234 33.363 1.00 0.00 WT2 H ATOM 34024 OH2 TIP3 7477 59.889 19.017 49.982 1.00 0.00 WT2 O ATOM 34025 H1 TIP3 7477 60.402 18.852 49.191 1.00 0.00 WT2 H ATOM 34026 H2 TIP3 7477 59.539 19.900 49.861 1.00 0.00 WT2 H ATOM 34027 OH2 TIP3 7479 27.555 55.029 33.832 1.00 0.00 WT2 O ATOM 34028 H1 TIP3 7479 26.796 54.464 33.976 1.00 0.00 WT2 H ATOM 34029 H2 TIP3 7479 27.263 55.898 34.107 1.00 0.00 WT2 H ATOM 34030 OH2 TIP3 7480 57.249 16.383 35.043 1.00 0.00 WT2 O ATOM 34031 H1 TIP3 7480 57.757 16.777 35.752 1.00 0.00 WT2 H ATOM 34032 H2 TIP3 7480 57.241 17.049 34.355 1.00 0.00 WT2 H ATOM 34033 OH2 TIP3 7481 89.637 64.368 -12.931 1.00 0.00 WT2 O ATOM 34034 H1 TIP3 7481 89.989 65.189 -13.276 1.00 0.00 WT2 H ATOM 34035 H2 TIP3 7481 88.715 64.377 -13.185 1.00 0.00 WT2 H ATOM 34036 OH2 TIP3 7489 26.346 75.267 1.169 1.00 0.00 WT2 O ATOM 34037 H1 TIP3 7489 26.091 74.604 1.810 1.00 0.00 WT2 H ATOM 34038 H2 TIP3 7489 27.167 75.625 1.508 1.00 0.00 WT2 H ATOM 34039 OH2 TIP3 7493 85.042 10.844 58.958 1.00 0.00 WT2 O ATOM 34040 H1 TIP3 7493 85.750 11.428 59.227 1.00 0.00 WT2 H ATOM 34041 H2 TIP3 7493 85.071 10.124 59.589 1.00 0.00 WT2 H ATOM 34042 OH2 TIP3 7496 89.686 78.573 -10.787 1.00 0.00 WT2 O ATOM 34043 H1 TIP3 7496 90.443 78.380 -10.234 1.00 0.00 WT2 H ATOM 34044 H2 TIP3 7496 88.930 78.326 -10.254 1.00 0.00 WT2 H ATOM 34045 OH2 TIP3 7498 66.105 22.534 34.569 1.00 0.00 WT2 O ATOM 34046 H1 TIP3 7498 66.029 23.210 35.243 1.00 0.00 WT2 H ATOM 34047 H2 TIP3 7498 66.982 22.655 34.206 1.00 0.00 WT2 H ATOM 34048 OH2 TIP3 7499 65.266 86.583 56.655 1.00 0.00 WT2 O ATOM 34049 H1 TIP3 7499 65.063 86.087 55.862 1.00 0.00 WT2 H ATOM 34050 H2 TIP3 7499 64.952 87.468 56.470 1.00 0.00 WT2 H ATOM 34051 OH2 TIP3 7500 82.435 87.881 62.719 1.00 0.00 WT2 O ATOM 34052 H1 TIP3 7500 81.820 88.614 62.705 1.00 0.00 WT2 H ATOM 34053 H2 TIP3 7500 82.682 87.792 63.640 1.00 0.00 WT2 H ATOM 34054 OH2 TIP3 7501 20.423 87.797 53.997 1.00 0.00 WT2 O ATOM 34055 H1 TIP3 7501 20.046 88.498 54.528 1.00 0.00 WT2 H ATOM 34056 H2 TIP3 7501 21.065 88.237 53.440 1.00 0.00 WT2 H ATOM 34057 OH2 TIP3 7502 23.020 66.287 -3.061 1.00 0.00 WT2 O ATOM 34058 H1 TIP3 7502 22.412 66.840 -3.551 1.00 0.00 WT2 H ATOM 34059 H2 TIP3 7502 22.996 65.444 -3.515 1.00 0.00 WT2 H ATOM 34060 OH2 TIP3 7503 40.282 20.824 -18.708 1.00 0.00 WT2 O ATOM 34061 H1 TIP3 7503 39.915 20.319 -17.983 1.00 0.00 WT2 H ATOM 34062 H2 TIP3 7503 39.950 21.712 -18.576 1.00 0.00 WT2 H ATOM 34063 OH2 TIP3 7504 84.066 23.691 -5.259 1.00 0.00 WT2 O ATOM 34064 H1 TIP3 7504 83.324 23.223 -5.642 1.00 0.00 WT2 H ATOM 34065 H2 TIP3 7504 84.333 23.150 -4.516 1.00 0.00 WT2 H ATOM 34066 OH2 TIP3 7510 55.031 37.279 6.723 1.00 0.00 WT2 O ATOM 34067 H1 TIP3 7510 55.331 37.972 7.310 1.00 0.00 WT2 H ATOM 34068 H2 TIP3 7510 55.054 36.485 7.257 1.00 0.00 WT2 H ATOM 34069 OH2 TIP3 7515 22.226 7.706 -2.021 1.00 0.00 WT2 O ATOM 34070 H1 TIP3 7515 22.959 7.352 -2.526 1.00 0.00 WT2 H ATOM 34071 H2 TIP3 7515 22.277 8.652 -2.156 1.00 0.00 WT2 H ATOM 34072 OH2 TIP3 7518 86.840 0.529 11.784 1.00 0.00 WT2 O ATOM 34073 H1 TIP3 7518 87.172 0.528 10.886 1.00 0.00 WT2 H ATOM 34074 H2 TIP3 7518 87.625 0.479 12.330 1.00 0.00 WT2 H ATOM 34075 OH2 TIP3 7519 26.591 32.058 42.680 1.00 0.00 WT2 O ATOM 34076 H1 TIP3 7519 26.802 32.237 41.764 1.00 0.00 WT2 H ATOM 34077 H2 TIP3 7519 26.226 31.173 42.674 1.00 0.00 WT2 H ATOM 34078 OH2 TIP3 7521 77.709 49.850 44.382 1.00 0.00 WT2 O ATOM 34079 H1 TIP3 7521 76.924 49.303 44.351 1.00 0.00 WT2 H ATOM 34080 H2 TIP3 7521 77.934 50.000 43.464 1.00 0.00 WT2 H ATOM 34081 OH2 TIP3 7522 37.472 81.479 -15.882 1.00 0.00 WT2 O ATOM 34082 H1 TIP3 7522 37.865 81.913 -15.125 1.00 0.00 WT2 H ATOM 34083 H2 TIP3 7522 37.781 81.982 -16.635 1.00 0.00 WT2 H ATOM 34084 OH2 TIP3 7523 68.905 8.109 58.860 1.00 0.00 WT2 O ATOM 34085 H1 TIP3 7523 69.437 8.820 59.217 1.00 0.00 WT2 H ATOM 34086 H2 TIP3 7523 68.009 8.329 59.111 1.00 0.00 WT2 H ATOM 34087 OH2 TIP3 7525 72.937 56.032 -15.931 1.00 0.00 WT2 O ATOM 34088 H1 TIP3 7525 73.094 55.555 -15.116 1.00 0.00 WT2 H ATOM 34089 H2 TIP3 7525 73.811 56.193 -16.286 1.00 0.00 WT2 H ATOM 34090 OH2 TIP3 7526 58.937 14.509 64.321 1.00 0.00 WT2 O ATOM 34091 H1 TIP3 7526 58.683 15.058 65.063 1.00 0.00 WT2 H ATOM 34092 H2 TIP3 7526 58.385 14.811 63.599 1.00 0.00 WT2 H ATOM 34093 OH2 TIP3 7541 61.548 78.530 -14.760 1.00 0.00 WT2 O ATOM 34094 H1 TIP3 7541 62.454 78.366 -14.497 1.00 0.00 WT2 H ATOM 34095 H2 TIP3 7541 61.410 79.459 -14.578 1.00 0.00 WT2 H ATOM 34096 OH2 TIP3 7543 86.294 69.394 42.678 1.00 0.00 WT2 O ATOM 34097 H1 TIP3 7543 86.103 69.074 43.560 1.00 0.00 WT2 H ATOM 34098 H2 TIP3 7543 85.562 69.084 42.146 1.00 0.00 WT2 H ATOM 34099 OH2 TIP3 7544 56.963 54.590 0.832 1.00 0.00 WT2 O ATOM 34100 H1 TIP3 7544 56.919 53.983 1.571 1.00 0.00 WT2 H ATOM 34101 H2 TIP3 7544 56.249 55.208 0.985 1.00 0.00 WT2 H ATOM 34102 OH2 TIP3 7545 69.518 39.911 19.387 1.00 0.00 WT2 O ATOM 34103 H1 TIP3 7545 69.399 40.757 19.820 1.00 0.00 WT2 H ATOM 34104 H2 TIP3 7545 69.827 40.131 18.509 1.00 0.00 WT2 H ATOM 34105 OH2 TIP3 7549 63.127 88.718 -1.833 1.00 0.00 WT2 O ATOM 34106 H1 TIP3 7549 63.276 88.332 -2.696 1.00 0.00 WT2 H ATOM 34107 H2 TIP3 7549 64.004 88.827 -1.464 1.00 0.00 WT2 H ATOM 34108 OH2 TIP3 7559 72.725 86.571 -1.976 1.00 0.00 WT2 O ATOM 34109 H1 TIP3 7559 73.585 86.806 -2.323 1.00 0.00 WT2 H ATOM 34110 H2 TIP3 7559 72.103 87.010 -2.557 1.00 0.00 WT2 H ATOM 34111 OH2 TIP3 7561 56.989 4.298 52.940 1.00 0.00 WT2 O ATOM 34112 H1 TIP3 7561 56.142 4.529 52.559 1.00 0.00 WT2 H ATOM 34113 H2 TIP3 7561 56.798 3.562 53.521 1.00 0.00 WT2 H ATOM 34114 OH2 TIP3 7563 83.243 5.606 52.975 1.00 0.00 WT2 O ATOM 34115 H1 TIP3 7563 84.068 5.629 52.489 1.00 0.00 WT2 H ATOM 34116 H2 TIP3 7563 83.208 6.449 53.427 1.00 0.00 WT2 H ATOM 34117 OH2 TIP3 7564 85.263 93.718 47.711 1.00 0.00 WT2 O ATOM 34118 H1 TIP3 7564 85.660 93.391 48.519 1.00 0.00 WT2 H ATOM 34119 H2 TIP3 7564 84.785 94.503 47.979 1.00 0.00 WT2 H ATOM 34120 OH2 TIP3 7565 46.533 85.107 49.101 1.00 0.00 WT2 O ATOM 34121 H1 TIP3 7565 46.419 85.353 48.183 1.00 0.00 WT2 H ATOM 34122 H2 TIP3 7565 45.656 84.858 49.393 1.00 0.00 WT2 H ATOM 34123 OH2 TIP3 7566 36.782 65.880 37.699 1.00 0.00 WT2 O ATOM 34124 H1 TIP3 7566 36.457 66.110 36.829 1.00 0.00 WT2 H ATOM 34125 H2 TIP3 7566 37.475 65.240 37.536 1.00 0.00 WT2 H ATOM 34126 OH2 TIP3 7567 39.959 6.754 -19.510 1.00 0.00 WT2 O ATOM 34127 H1 TIP3 7567 40.692 7.065 -20.041 1.00 0.00 WT2 H ATOM 34128 H2 TIP3 7567 40.148 5.828 -19.358 1.00 0.00 WT2 H ATOM 34129 OH2 TIP3 7582 47.546 25.661 64.211 1.00 0.00 WT2 O ATOM 34130 H1 TIP3 7582 47.809 26.223 64.940 1.00 0.00 WT2 H ATOM 34131 H2 TIP3 7582 47.033 26.234 63.640 1.00 0.00 WT2 H ATOM 34132 OH2 TIP3 7584 46.528 37.430 31.308 1.00 0.00 WT2 O ATOM 34133 H1 TIP3 7584 45.923 36.711 31.126 1.00 0.00 WT2 H ATOM 34134 H2 TIP3 7584 47.159 37.402 30.589 1.00 0.00 WT2 H ATOM 34135 OH2 TIP3 7586 71.240 84.533 -0.982 1.00 0.00 WT2 O ATOM 34136 H1 TIP3 7586 71.499 83.874 -1.626 1.00 0.00 WT2 H ATOM 34137 H2 TIP3 7586 71.436 85.370 -1.403 1.00 0.00 WT2 H ATOM 34138 OH2 TIP3 7587 67.233 50.469 -10.024 1.00 0.00 WT2 O ATOM 34139 H1 TIP3 7587 66.529 50.322 -9.392 1.00 0.00 WT2 H ATOM 34140 H2 TIP3 7587 67.596 51.322 -9.785 1.00 0.00 WT2 H ATOM 34141 OH2 TIP3 7594 30.620 34.872 2.884 1.00 0.00 WT2 O ATOM 34142 H1 TIP3 7594 30.320 35.306 2.085 1.00 0.00 WT2 H ATOM 34143 H2 TIP3 7594 30.802 35.588 3.493 1.00 0.00 WT2 H ATOM 34144 OH2 TIP3 7602 72.560 52.769 -3.438 1.00 0.00 WT2 O ATOM 34145 H1 TIP3 7602 72.341 53.611 -3.039 1.00 0.00 WT2 H ATOM 34146 H2 TIP3 7602 72.662 52.965 -4.370 1.00 0.00 WT2 H ATOM 34147 OH2 TIP3 7603 68.896 23.566 45.625 1.00 0.00 WT2 O ATOM 34148 H1 TIP3 7603 69.712 23.122 45.858 1.00 0.00 WT2 H ATOM 34149 H2 TIP3 7603 69.076 24.494 45.777 1.00 0.00 WT2 H ATOM 34150 OH2 TIP3 7605 88.140 15.600 63.223 1.00 0.00 WT2 O ATOM 34151 H1 TIP3 7605 88.348 16.439 63.634 1.00 0.00 WT2 H ATOM 34152 H2 TIP3 7605 88.692 15.573 62.441 1.00 0.00 WT2 H ATOM 34153 OH2 TIP3 7608 54.730 84.284 62.655 1.00 0.00 WT2 O ATOM 34154 H1 TIP3 7608 54.896 83.525 62.096 1.00 0.00 WT2 H ATOM 34155 H2 TIP3 7608 53.876 84.609 62.372 1.00 0.00 WT2 H ATOM 34156 OH2 TIP3 7612 74.821 71.459 42.423 1.00 0.00 WT2 O ATOM 34157 H1 TIP3 7612 75.596 70.955 42.174 1.00 0.00 WT2 H ATOM 34158 H2 TIP3 7612 74.498 71.826 41.600 1.00 0.00 WT2 H ATOM 34159 OH2 TIP3 7625 74.750 32.790 -0.426 1.00 0.00 WT2 O ATOM 34160 H1 TIP3 7625 74.800 32.242 0.358 1.00 0.00 WT2 H ATOM 34161 H2 TIP3 7625 74.239 33.552 -0.154 1.00 0.00 WT2 H ATOM 34162 OH2 TIP3 7626 29.785 6.553 -8.318 1.00 0.00 WT2 O ATOM 34163 H1 TIP3 7626 28.835 6.462 -8.385 1.00 0.00 WT2 H ATOM 34164 H2 TIP3 7626 29.930 6.930 -7.451 1.00 0.00 WT2 H ATOM 34165 OH2 TIP3 7628 43.194 19.037 49.197 1.00 0.00 WT2 O ATOM 34166 H1 TIP3 7628 42.912 19.947 49.104 1.00 0.00 WT2 H ATOM 34167 H2 TIP3 7628 42.977 18.631 48.358 1.00 0.00 WT2 H ATOM 34168 OH2 TIP3 7630 36.889 94.696 15.987 1.00 0.00 WT2 O ATOM 34169 H1 TIP3 7630 37.817 94.726 16.221 1.00 0.00 WT2 H ATOM 34170 H2 TIP3 7630 36.430 94.695 16.827 1.00 0.00 WT2 H ATOM 34171 OH2 TIP3 7631 30.887 34.700 -16.054 1.00 0.00 WT2 O ATOM 34172 H1 TIP3 7631 31.254 33.918 -15.641 1.00 0.00 WT2 H ATOM 34173 H2 TIP3 7631 30.078 34.870 -15.570 1.00 0.00 WT2 H ATOM 34174 OH2 TIP3 7643 70.426 82.030 -14.388 1.00 0.00 WT2 O ATOM 34175 H1 TIP3 7643 69.949 81.961 -15.215 1.00 0.00 WT2 H ATOM 34176 H2 TIP3 7643 71.332 81.824 -14.616 1.00 0.00 WT2 H ATOM 34177 OH2 TIP3 7644 28.009 71.065 13.370 1.00 0.00 WT2 O ATOM 34178 H1 TIP3 7644 27.852 71.140 14.312 1.00 0.00 WT2 H ATOM 34179 H2 TIP3 7644 28.611 70.327 13.285 1.00 0.00 WT2 H ATOM 34180 OH2 TIP3 7645 73.748 22.447 61.136 1.00 0.00 WT2 O ATOM 34181 H1 TIP3 7645 72.814 22.300 61.284 1.00 0.00 WT2 H ATOM 34182 H2 TIP3 7645 74.175 21.679 61.515 1.00 0.00 WT2 H ATOM 34183 OH2 TIP3 7646 36.908 32.164 45.227 1.00 0.00 WT2 O ATOM 34184 H1 TIP3 7646 36.678 32.527 46.082 1.00 0.00 WT2 H ATOM 34185 H2 TIP3 7646 37.863 32.212 45.194 1.00 0.00 WT2 H ATOM 34186 OH2 TIP3 7647 37.206 31.277 48.522 1.00 0.00 WT2 O ATOM 34187 H1 TIP3 7647 36.541 30.609 48.686 1.00 0.00 WT2 H ATOM 34188 H2 TIP3 7647 37.547 31.069 47.652 1.00 0.00 WT2 H ATOM 34189 OH2 TIP3 7648 75.244 62.030 19.757 1.00 0.00 WT2 O ATOM 34190 H1 TIP3 7648 74.340 61.714 19.741 1.00 0.00 WT2 H ATOM 34191 H2 TIP3 7648 75.435 62.256 18.846 1.00 0.00 WT2 H ATOM 34192 OH2 TIP3 7649 43.352 3.207 65.429 1.00 0.00 WT2 O ATOM 34193 H1 TIP3 7649 43.107 3.308 66.349 1.00 0.00 WT2 H ATOM 34194 H2 TIP3 7649 42.946 2.382 65.162 1.00 0.00 WT2 H ATOM 34195 OH2 TIP3 7650 37.752 25.261 66.439 1.00 0.00 WT2 O ATOM 34196 H1 TIP3 7650 37.557 25.961 67.062 1.00 0.00 WT2 H ATOM 34197 H2 TIP3 7650 36.963 25.193 65.900 1.00 0.00 WT2 H ATOM 34198 OH2 TIP3 7652 37.955 94.867 24.426 1.00 0.00 WT2 O ATOM 34199 H1 TIP3 7652 38.558 95.096 25.133 1.00 0.00 WT2 H ATOM 34200 H2 TIP3 7652 37.109 95.212 24.710 1.00 0.00 WT2 H ATOM 34201 OH2 TIP3 7653 59.311 35.680 -7.248 1.00 0.00 WT2 O ATOM 34202 H1 TIP3 7653 58.495 36.073 -6.937 1.00 0.00 WT2 H ATOM 34203 H2 TIP3 7653 59.588 36.244 -7.971 1.00 0.00 WT2 H ATOM 34204 OH2 TIP3 7663 79.051 33.670 42.746 1.00 0.00 WT2 O ATOM 34205 H1 TIP3 7663 79.063 32.910 42.164 1.00 0.00 WT2 H ATOM 34206 H2 TIP3 7663 79.495 33.371 43.540 1.00 0.00 WT2 H ATOM 34207 OH2 TIP3 7668 37.946 35.526 19.358 1.00 0.00 WT2 O ATOM 34208 H1 TIP3 7668 38.116 36.274 19.931 1.00 0.00 WT2 H ATOM 34209 H2 TIP3 7668 38.686 35.516 18.750 1.00 0.00 WT2 H ATOM 34210 OH2 TIP3 7669 88.033 68.131 23.716 1.00 0.00 WT2 O ATOM 34211 H1 TIP3 7669 87.436 68.308 22.989 1.00 0.00 WT2 H ATOM 34212 H2 TIP3 7669 87.606 67.432 24.212 1.00 0.00 WT2 H ATOM 34213 OH2 TIP3 7670 64.104 93.850 61.679 1.00 0.00 WT2 O ATOM 34214 H1 TIP3 7670 63.289 94.149 62.083 1.00 0.00 WT2 H ATOM 34215 H2 TIP3 7670 63.830 93.455 60.851 1.00 0.00 WT2 H ATOM 34216 OH2 TIP3 7673 74.262 40.088 57.120 1.00 0.00 WT2 O ATOM 34217 H1 TIP3 7673 73.665 40.829 57.010 1.00 0.00 WT2 H ATOM 34218 H2 TIP3 7673 73.825 39.522 57.757 1.00 0.00 WT2 H ATOM 34219 OH2 TIP3 7686 50.703 50.804 62.728 1.00 0.00 WT2 O ATOM 34220 H1 TIP3 7686 50.411 51.644 63.081 1.00 0.00 WT2 H ATOM 34221 H2 TIP3 7686 50.059 50.589 62.054 1.00 0.00 WT2 H ATOM 34222 OH2 TIP3 7688 73.574 5.760 -11.095 1.00 0.00 WT2 O ATOM 34223 H1 TIP3 7688 74.002 6.456 -11.594 1.00 0.00 WT2 H ATOM 34224 H2 TIP3 7688 74.296 5.266 -10.706 1.00 0.00 WT2 H ATOM 34225 OH2 TIP3 7689 44.405 94.940 -12.018 1.00 0.00 WT2 O ATOM 34226 H1 TIP3 7689 44.863 95.446 -12.690 1.00 0.00 WT2 H ATOM 34227 H2 TIP3 7689 43.689 95.508 -11.736 1.00 0.00 WT2 H ATOM 34228 OH2 TIP3 7690 63.950 38.167 54.716 1.00 0.00 WT2 O ATOM 34229 H1 TIP3 7690 63.441 38.976 54.756 1.00 0.00 WT2 H ATOM 34230 H2 TIP3 7690 63.296 37.469 54.777 1.00 0.00 WT2 H ATOM 34231 OH2 TIP3 7691 29.686 45.463 6.619 1.00 0.00 WT2 O ATOM 34232 H1 TIP3 7691 29.534 45.061 7.475 1.00 0.00 WT2 H ATOM 34233 H2 TIP3 7691 30.495 45.963 6.729 1.00 0.00 WT2 H ATOM 34234 OH2 TIP3 7692 43.683 85.199 45.585 1.00 0.00 WT2 O ATOM 34235 H1 TIP3 7692 43.866 84.354 45.996 1.00 0.00 WT2 H ATOM 34236 H2 TIP3 7692 42.729 85.274 45.604 1.00 0.00 WT2 H ATOM 34237 OH2 TIP3 7694 33.504 40.010 58.014 1.00 0.00 WT2 O ATOM 34238 H1 TIP3 7694 33.627 40.599 57.269 1.00 0.00 WT2 H ATOM 34239 H2 TIP3 7694 33.550 39.132 57.636 1.00 0.00 WT2 H ATOM 34240 OH2 TIP3 7695 33.370 36.486 37.216 1.00 0.00 WT2 O ATOM 34241 H1 TIP3 7695 32.696 36.492 36.537 1.00 0.00 WT2 H ATOM 34242 H2 TIP3 7695 34.177 36.716 36.755 1.00 0.00 WT2 H ATOM 34243 OH2 TIP3 7696 72.519 56.339 43.479 1.00 0.00 WT2 O ATOM 34244 H1 TIP3 7696 71.991 55.549 43.361 1.00 0.00 WT2 H ATOM 34245 H2 TIP3 7696 72.666 56.664 42.591 1.00 0.00 WT2 H ATOM 34246 OH2 TIP3 7698 89.666 33.020 53.773 1.00 0.00 WT2 O ATOM 34247 H1 TIP3 7698 88.972 32.987 53.115 1.00 0.00 WT2 H ATOM 34248 H2 TIP3 7698 90.261 33.702 53.461 1.00 0.00 WT2 H ATOM 34249 OH2 TIP3 7705 84.297 0.560 46.949 1.00 0.00 WT2 O ATOM 34250 H1 TIP3 7705 84.311 0.198 46.063 1.00 0.00 WT2 H ATOM 34251 H2 TIP3 7705 83.393 0.846 47.078 1.00 0.00 WT2 H ATOM 34252 OH2 TIP3 7707 62.036 70.523 53.497 1.00 0.00 WT2 O ATOM 34253 H1 TIP3 7707 61.679 69.931 52.836 1.00 0.00 WT2 H ATOM 34254 H2 TIP3 7707 61.692 70.192 54.327 1.00 0.00 WT2 H ATOM 34255 OH2 TIP3 7708 35.269 57.945 28.640 1.00 0.00 WT2 O ATOM 34256 H1 TIP3 7708 35.602 58.834 28.767 1.00 0.00 WT2 H ATOM 34257 H2 TIP3 7708 36.052 57.395 28.628 1.00 0.00 WT2 H ATOM 34258 OH2 TIP3 7710 90.214 87.824 50.699 1.00 0.00 WT2 O ATOM 34259 H1 TIP3 7710 89.724 88.643 50.781 1.00 0.00 WT2 H ATOM 34260 H2 TIP3 7710 90.187 87.440 51.575 1.00 0.00 WT2 H ATOM 34261 OH2 TIP3 7711 86.828 49.386 51.512 1.00 0.00 WT2 O ATOM 34262 H1 TIP3 7711 87.123 50.049 50.887 1.00 0.00 WT2 H ATOM 34263 H2 TIP3 7711 86.348 49.880 52.177 1.00 0.00 WT2 H ATOM 34264 OH2 TIP3 7712 36.625 33.383 2.656 1.00 0.00 WT2 O ATOM 34265 H1 TIP3 7712 37.163 34.173 2.611 1.00 0.00 WT2 H ATOM 34266 H2 TIP3 7712 36.286 33.374 3.551 1.00 0.00 WT2 H ATOM 34267 OH2 TIP3 7713 72.959 29.623 56.951 1.00 0.00 WT2 O ATOM 34268 H1 TIP3 7713 72.482 29.947 56.187 1.00 0.00 WT2 H ATOM 34269 H2 TIP3 7713 73.618 29.030 56.588 1.00 0.00 WT2 H ATOM 34270 OH2 TIP3 7716 28.567 27.217 -14.159 1.00 0.00 WT2 O ATOM 34271 H1 TIP3 7716 28.239 27.995 -14.610 1.00 0.00 WT2 H ATOM 34272 H2 TIP3 7716 28.016 27.141 -13.380 1.00 0.00 WT2 H ATOM 34273 OH2 TIP3 7718 89.234 61.331 58.607 1.00 0.00 WT2 O ATOM 34274 H1 TIP3 7718 89.342 61.461 57.665 1.00 0.00 WT2 H ATOM 34275 H2 TIP3 7718 88.535 61.935 58.854 1.00 0.00 WT2 H ATOM 34276 OH2 TIP3 7730 34.999 4.197 -15.329 1.00 0.00 WT2 O ATOM 34277 H1 TIP3 7730 34.607 5.041 -15.553 1.00 0.00 WT2 H ATOM 34278 H2 TIP3 7730 34.278 3.571 -15.402 1.00 0.00 WT2 H ATOM 34279 OH2 TIP3 7731 61.583 44.135 43.935 1.00 0.00 WT2 O ATOM 34280 H1 TIP3 7731 61.917 44.432 43.088 1.00 0.00 WT2 H ATOM 34281 H2 TIP3 7731 62.135 43.387 44.162 1.00 0.00 WT2 H ATOM 34282 OH2 TIP3 7734 84.243 22.238 52.791 1.00 0.00 WT2 O ATOM 34283 H1 TIP3 7734 84.279 21.687 53.573 1.00 0.00 WT2 H ATOM 34284 H2 TIP3 7734 84.171 21.620 52.064 1.00 0.00 WT2 H ATOM 34285 OH2 TIP3 7735 59.035 1.822 28.479 1.00 0.00 WT2 O ATOM 34286 H1 TIP3 7735 58.316 1.396 28.945 1.00 0.00 WT2 H ATOM 34287 H2 TIP3 7735 59.312 1.180 27.826 1.00 0.00 WT2 H ATOM 34288 OH2 TIP3 7736 30.224 21.963 1.285 1.00 0.00 WT2 O ATOM 34289 H1 TIP3 7736 30.667 22.770 1.025 1.00 0.00 WT2 H ATOM 34290 H2 TIP3 7736 29.954 22.118 2.190 1.00 0.00 WT2 H ATOM 34291 OH2 TIP3 7737 80.581 40.919 46.399 1.00 0.00 WT2 O ATOM 34292 H1 TIP3 7737 79.852 41.331 46.863 1.00 0.00 WT2 H ATOM 34293 H2 TIP3 7737 81.051 41.648 45.994 1.00 0.00 WT2 H ATOM 34294 OH2 TIP3 7748 70.246 24.295 -12.733 1.00 0.00 WT2 O ATOM 34295 H1 TIP3 7748 69.772 24.262 -13.564 1.00 0.00 WT2 H ATOM 34296 H2 TIP3 7748 71.169 24.240 -12.980 1.00 0.00 WT2 H ATOM 34297 OH2 TIP3 7750 20.928 53.003 8.725 1.00 0.00 WT2 O ATOM 34298 H1 TIP3 7750 19.984 52.846 8.719 1.00 0.00 WT2 H ATOM 34299 H2 TIP3 7750 21.020 53.920 8.466 1.00 0.00 WT2 H ATOM 34300 OH2 TIP3 7751 37.996 73.776 16.943 1.00 0.00 WT2 O ATOM 34301 H1 TIP3 7751 37.668 73.400 17.760 1.00 0.00 WT2 H ATOM 34302 H2 TIP3 7751 38.944 73.830 17.068 1.00 0.00 WT2 H ATOM 34303 OH2 TIP3 7752 75.977 83.975 -6.339 1.00 0.00 WT2 O ATOM 34304 H1 TIP3 7752 75.603 83.810 -5.473 1.00 0.00 WT2 H ATOM 34305 H2 TIP3 7752 75.642 84.837 -6.585 1.00 0.00 WT2 H ATOM 34306 OH2 TIP3 7753 77.134 28.426 64.644 1.00 0.00 WT2 O ATOM 34307 H1 TIP3 7753 76.633 29.129 64.231 1.00 0.00 WT2 H ATOM 34308 H2 TIP3 7753 77.443 28.804 65.467 1.00 0.00 WT2 H ATOM 34309 OH2 TIP3 7754 89.852 48.176 -17.369 1.00 0.00 WT2 O ATOM 34310 H1 TIP3 7754 90.228 47.354 -17.053 1.00 0.00 WT2 H ATOM 34311 H2 TIP3 7754 89.235 47.910 -18.051 1.00 0.00 WT2 H ATOM 34312 OH2 TIP3 7755 54.592 17.877 64.063 1.00 0.00 WT2 O ATOM 34313 H1 TIP3 7755 53.680 18.153 64.157 1.00 0.00 WT2 H ATOM 34314 H2 TIP3 7755 54.756 17.910 63.121 1.00 0.00 WT2 H ATOM 34315 OH2 TIP3 7757 68.694 23.452 11.108 1.00 0.00 WT2 O ATOM 34316 H1 TIP3 7757 68.427 22.579 11.397 1.00 0.00 WT2 H ATOM 34317 H2 TIP3 7757 68.026 24.038 11.464 1.00 0.00 WT2 H ATOM 34318 OH2 TIP3 7772 42.024 48.184 66.173 1.00 0.00 WT2 O ATOM 34319 H1 TIP3 7772 41.986 47.935 67.096 1.00 0.00 WT2 H ATOM 34320 H2 TIP3 7772 41.292 48.790 66.058 1.00 0.00 WT2 H ATOM 34321 OH2 TIP3 7773 72.348 9.504 5.837 1.00 0.00 WT2 O ATOM 34322 H1 TIP3 7773 72.679 9.366 6.724 1.00 0.00 WT2 H ATOM 34323 H2 TIP3 7773 72.770 8.822 5.315 1.00 0.00 WT2 H ATOM 34324 OH2 TIP3 7774 26.185 49.119 -15.476 1.00 0.00 WT2 O ATOM 34325 H1 TIP3 7774 26.978 49.655 -15.480 1.00 0.00 WT2 H ATOM 34326 H2 TIP3 7774 25.492 49.717 -15.196 1.00 0.00 WT2 H ATOM 34327 OH2 TIP3 7776 75.546 76.827 -15.872 1.00 0.00 WT2 O ATOM 34328 H1 TIP3 7776 74.858 76.980 -16.519 1.00 0.00 WT2 H ATOM 34329 H2 TIP3 7776 75.122 76.987 -15.029 1.00 0.00 WT2 H ATOM 34330 OH2 TIP3 7780 72.197 37.361 62.018 1.00 0.00 WT2 O ATOM 34331 H1 TIP3 7780 71.335 37.596 62.362 1.00 0.00 WT2 H ATOM 34332 H2 TIP3 7780 72.044 36.563 61.511 1.00 0.00 WT2 H ATOM 34333 OH2 TIP3 7791 30.243 89.210 13.053 1.00 0.00 WT2 O ATOM 34334 H1 TIP3 7791 30.162 90.054 12.608 1.00 0.00 WT2 H ATOM 34335 H2 TIP3 7791 31.159 89.172 13.330 1.00 0.00 WT2 H ATOM 34336 OH2 TIP3 7793 66.825 65.424 48.684 1.00 0.00 WT2 O ATOM 34337 H1 TIP3 7793 67.025 64.495 48.571 1.00 0.00 WT2 H ATOM 34338 H2 TIP3 7793 66.412 65.683 47.860 1.00 0.00 WT2 H ATOM 34339 OH2 TIP3 7795 78.304 68.567 30.852 1.00 0.00 WT2 O ATOM 34340 H1 TIP3 7795 77.881 69.401 31.058 1.00 0.00 WT2 H ATOM 34341 H2 TIP3 7795 77.708 68.141 30.236 1.00 0.00 WT2 H ATOM 34342 OH2 TIP3 7796 58.967 69.717 32.340 1.00 0.00 WT2 O ATOM 34343 H1 TIP3 7796 58.312 69.612 31.649 1.00 0.00 WT2 H ATOM 34344 H2 TIP3 7796 58.726 69.067 32.999 1.00 0.00 WT2 H ATOM 34345 OH2 TIP3 7797 88.185 8.106 -12.861 1.00 0.00 WT2 O ATOM 34346 H1 TIP3 7797 87.619 7.638 -12.246 1.00 0.00 WT2 H ATOM 34347 H2 TIP3 7797 88.577 8.807 -12.341 1.00 0.00 WT2 H ATOM 34348 OH2 TIP3 7798 38.858 42.150 60.660 1.00 0.00 WT2 O ATOM 34349 H1 TIP3 7798 38.789 41.216 60.463 1.00 0.00 WT2 H ATOM 34350 H2 TIP3 7798 39.716 42.246 61.073 1.00 0.00 WT2 H ATOM 34351 OH2 TIP3 7799 49.441 51.346 65.835 1.00 0.00 WT2 O ATOM 34352 H1 TIP3 7799 48.631 51.416 65.331 1.00 0.00 WT2 H ATOM 34353 H2 TIP3 7799 49.318 51.944 66.572 1.00 0.00 WT2 H ATOM 34354 OH2 TIP3 7806 57.029 8.702 37.059 1.00 0.00 WT2 O ATOM 34355 H1 TIP3 7806 56.245 8.587 37.595 1.00 0.00 WT2 H ATOM 34356 H2 TIP3 7806 57.101 9.649 36.940 1.00 0.00 WT2 H ATOM 34357 OH2 TIP3 7811 55.111 79.733 40.344 1.00 0.00 WT2 O ATOM 34358 H1 TIP3 7811 54.516 80.289 39.841 1.00 0.00 WT2 H ATOM 34359 H2 TIP3 7811 55.701 79.359 39.689 1.00 0.00 WT2 H ATOM 34360 OH2 TIP3 7813 35.792 44.169 -17.525 1.00 0.00 WT2 O ATOM 34361 H1 TIP3 7813 36.491 44.315 -18.163 1.00 0.00 WT2 H ATOM 34362 H2 TIP3 7813 36.178 44.418 -16.685 1.00 0.00 WT2 H ATOM 34363 OH2 TIP3 7815 88.554 41.024 46.901 1.00 0.00 WT2 O ATOM 34364 H1 TIP3 7815 89.068 40.409 46.378 1.00 0.00 WT2 H ATOM 34365 H2 TIP3 7815 89.080 41.169 47.687 1.00 0.00 WT2 H ATOM 34366 OH2 TIP3 7816 60.134 87.312 30.818 1.00 0.00 WT2 O ATOM 34367 H1 TIP3 7816 60.119 88.263 30.710 1.00 0.00 WT2 H ATOM 34368 H2 TIP3 7816 60.318 87.179 31.748 1.00 0.00 WT2 H ATOM 34369 OH2 TIP3 7817 59.986 73.984 62.164 1.00 0.00 WT2 O ATOM 34370 H1 TIP3 7817 60.686 73.339 62.272 1.00 0.00 WT2 H ATOM 34371 H2 TIP3 7817 59.225 73.469 61.897 1.00 0.00 WT2 H ATOM 34372 OH2 TIP3 7818 21.433 85.660 45.070 1.00 0.00 WT2 O ATOM 34373 H1 TIP3 7818 21.141 86.439 44.596 1.00 0.00 WT2 H ATOM 34374 H2 TIP3 7818 22.350 85.838 45.281 1.00 0.00 WT2 H ATOM 34375 OH2 TIP3 7820 69.059 8.898 35.457 1.00 0.00 WT2 O ATOM 34376 H1 TIP3 7820 69.826 8.508 35.039 1.00 0.00 WT2 H ATOM 34377 H2 TIP3 7820 69.377 9.726 35.818 1.00 0.00 WT2 H ATOM 34378 OH2 TIP3 7833 27.404 57.748 -17.794 1.00 0.00 WT2 O ATOM 34379 H1 TIP3 7833 27.136 57.933 -16.894 1.00 0.00 WT2 H ATOM 34380 H2 TIP3 7833 26.664 57.272 -18.172 1.00 0.00 WT2 H ATOM 34381 OH2 TIP3 7835 68.022 89.403 23.786 1.00 0.00 WT2 O ATOM 34382 H1 TIP3 7835 67.631 88.620 23.396 1.00 0.00 WT2 H ATOM 34383 H2 TIP3 7835 68.296 89.932 23.037 1.00 0.00 WT2 H ATOM 34384 OH2 TIP3 7836 71.359 51.815 28.077 1.00 0.00 WT2 O ATOM 34385 H1 TIP3 7836 71.263 50.863 28.085 1.00 0.00 WT2 H ATOM 34386 H2 TIP3 7836 70.728 52.115 27.423 1.00 0.00 WT2 H ATOM 34387 OH2 TIP3 7837 54.345 63.221 63.597 1.00 0.00 WT2 O ATOM 34388 H1 TIP3 7837 54.798 62.380 63.541 1.00 0.00 WT2 H ATOM 34389 H2 TIP3 7837 53.424 62.989 63.718 1.00 0.00 WT2 H ATOM 34390 OH2 TIP3 7838 80.823 48.121 58.952 1.00 0.00 WT2 O ATOM 34391 H1 TIP3 7838 79.902 47.922 58.785 1.00 0.00 WT2 H ATOM 34392 H2 TIP3 7838 80.804 48.813 59.613 1.00 0.00 WT2 H ATOM 34393 OH2 TIP3 7839 75.568 53.083 -10.572 1.00 0.00 WT2 O ATOM 34394 H1 TIP3 7839 76.367 53.107 -10.046 1.00 0.00 WT2 H ATOM 34395 H2 TIP3 7839 74.909 53.514 -10.028 1.00 0.00 WT2 H ATOM 34396 OH2 TIP3 7840 33.900 7.903 33.866 1.00 0.00 WT2 O ATOM 34397 H1 TIP3 7840 33.414 7.194 33.445 1.00 0.00 WT2 H ATOM 34398 H2 TIP3 7840 33.298 8.249 34.525 1.00 0.00 WT2 H ATOM 34399 OH2 TIP3 7842 76.219 51.779 -19.356 1.00 0.00 WT2 O ATOM 34400 H1 TIP3 7842 77.126 51.950 -19.610 1.00 0.00 WT2 H ATOM 34401 H2 TIP3 7842 76.288 51.328 -18.514 1.00 0.00 WT2 H ATOM 34402 OH2 TIP3 7853 20.196 8.519 65.220 1.00 0.00 WT2 O ATOM 34403 H1 TIP3 7853 20.580 9.049 65.919 1.00 0.00 WT2 H ATOM 34404 H2 TIP3 7853 20.540 8.900 64.413 1.00 0.00 WT2 H ATOM 34405 OH2 TIP3 7854 23.574 25.117 3.000 1.00 0.00 WT2 O ATOM 34406 H1 TIP3 7854 22.787 25.174 3.541 1.00 0.00 WT2 H ATOM 34407 H2 TIP3 7854 23.567 25.922 2.482 1.00 0.00 WT2 H ATOM 34408 OH2 TIP3 7856 72.058 60.285 40.423 1.00 0.00 WT2 O ATOM 34409 H1 TIP3 7856 71.583 59.568 40.002 1.00 0.00 WT2 H ATOM 34410 H2 TIP3 7856 71.456 61.028 40.384 1.00 0.00 WT2 H ATOM 34411 OH2 TIP3 7858 39.495 72.492 55.104 1.00 0.00 WT2 O ATOM 34412 H1 TIP3 7858 39.249 73.005 54.335 1.00 0.00 WT2 H ATOM 34413 H2 TIP3 7858 38.764 71.888 55.234 1.00 0.00 WT2 H ATOM 34414 OH2 TIP3 7859 34.593 40.156 53.411 1.00 0.00 WT2 O ATOM 34415 H1 TIP3 7859 34.827 40.651 52.625 1.00 0.00 WT2 H ATOM 34416 H2 TIP3 7859 34.855 40.721 54.137 1.00 0.00 WT2 H ATOM 34417 OH2 TIP3 7861 76.169 50.103 65.751 1.00 0.00 WT2 O ATOM 34418 H1 TIP3 7861 75.596 50.696 66.236 1.00 0.00 WT2 H ATOM 34419 H2 TIP3 7861 76.362 50.568 64.937 1.00 0.00 WT2 H ATOM 34420 OH2 TIP3 7864 44.017 1.360 20.192 1.00 0.00 WT2 O ATOM 34421 H1 TIP3 7864 43.832 0.490 20.545 1.00 0.00 WT2 H ATOM 34422 H2 TIP3 7864 43.274 1.895 20.470 1.00 0.00 WT2 H ATOM 34423 OH2 TIP3 7865 78.551 3.538 61.008 1.00 0.00 WT2 O ATOM 34424 H1 TIP3 7865 78.106 2.801 61.427 1.00 0.00 WT2 H ATOM 34425 H2 TIP3 7865 78.049 4.307 61.279 1.00 0.00 WT2 H ATOM 34426 OH2 TIP3 7872 85.211 69.570 59.968 1.00 0.00 WT2 O ATOM 34427 H1 TIP3 7872 85.908 70.186 59.742 1.00 0.00 WT2 H ATOM 34428 H2 TIP3 7872 85.497 68.736 59.596 1.00 0.00 WT2 H ATOM 34429 OH2 TIP3 7875 46.206 65.118 57.777 1.00 0.00 WT2 O ATOM 34430 H1 TIP3 7875 46.155 64.698 56.919 1.00 0.00 WT2 H ATOM 34431 H2 TIP3 7875 46.830 65.834 57.657 1.00 0.00 WT2 H ATOM 34432 OH2 TIP3 7878 31.245 95.104 45.554 1.00 0.00 WT2 O ATOM 34433 H1 TIP3 7878 32.028 95.550 45.231 1.00 0.00 WT2 H ATOM 34434 H2 TIP3 7878 31.327 95.135 46.507 1.00 0.00 WT2 H ATOM 34435 OH2 TIP3 7880 73.358 84.123 43.275 1.00 0.00 WT2 O ATOM 34436 H1 TIP3 7880 72.980 85.002 43.280 1.00 0.00 WT2 H ATOM 34437 H2 TIP3 7880 73.605 83.963 44.186 1.00 0.00 WT2 H ATOM 34438 OH2 TIP3 7882 72.723 34.976 58.914 1.00 0.00 WT2 O ATOM 34439 H1 TIP3 7882 72.853 35.746 58.360 1.00 0.00 WT2 H ATOM 34440 H2 TIP3 7882 72.534 34.267 58.299 1.00 0.00 WT2 H ATOM 34441 OH2 TIP3 7884 62.154 58.763 -18.570 1.00 0.00 WT2 O ATOM 34442 H1 TIP3 7884 62.150 58.518 -17.644 1.00 0.00 WT2 H ATOM 34443 H2 TIP3 7884 61.279 59.117 -18.728 1.00 0.00 WT2 H ATOM 34444 OH2 TIP3 7895 40.656 69.089 16.412 1.00 0.00 WT2 O ATOM 34445 H1 TIP3 7895 40.224 68.394 15.915 1.00 0.00 WT2 H ATOM 34446 H2 TIP3 7895 41.302 68.632 16.951 1.00 0.00 WT2 H ATOM 34447 OH2 TIP3 7899 62.926 47.422 -18.181 1.00 0.00 WT2 O ATOM 34448 H1 TIP3 7899 63.185 46.587 -17.789 1.00 0.00 WT2 H ATOM 34449 H2 TIP3 7899 62.114 47.656 -17.732 1.00 0.00 WT2 H ATOM 34450 OH2 TIP3 7900 59.966 21.975 65.956 1.00 0.00 WT2 O ATOM 34451 H1 TIP3 7900 59.755 22.495 66.732 1.00 0.00 WT2 H ATOM 34452 H2 TIP3 7900 60.542 21.283 66.281 1.00 0.00 WT2 H ATOM 34453 OH2 TIP3 7905 66.909 53.355 -14.190 1.00 0.00 WT2 O ATOM 34454 H1 TIP3 7905 67.271 53.603 -15.041 1.00 0.00 WT2 H ATOM 34455 H2 TIP3 7905 66.732 54.188 -13.752 1.00 0.00 WT2 H ATOM 34456 OH2 TIP3 7919 76.012 78.951 48.682 1.00 0.00 WT2 O ATOM 34457 H1 TIP3 7919 76.533 78.456 48.050 1.00 0.00 WT2 H ATOM 34458 H2 TIP3 7919 75.210 79.174 48.210 1.00 0.00 WT2 H ATOM 34459 OH2 TIP3 7920 39.725 41.864 15.605 1.00 0.00 WT2 O ATOM 34460 H1 TIP3 7920 40.323 41.749 16.344 1.00 0.00 WT2 H ATOM 34461 H2 TIP3 7920 39.711 42.809 15.452 1.00 0.00 WT2 H ATOM 34462 OH2 TIP3 7921 67.329 25.652 57.903 1.00 0.00 WT2 O ATOM 34463 H1 TIP3 7921 66.792 25.426 57.144 1.00 0.00 WT2 H ATOM 34464 H2 TIP3 7921 67.817 24.853 58.098 1.00 0.00 WT2 H ATOM 34465 OH2 TIP3 7922 23.663 86.144 29.631 1.00 0.00 WT2 O ATOM 34466 H1 TIP3 7922 23.206 86.395 28.828 1.00 0.00 WT2 H ATOM 34467 H2 TIP3 7922 23.160 86.558 30.333 1.00 0.00 WT2 H ATOM 34468 OH2 TIP3 7933 24.388 59.273 42.858 1.00 0.00 WT2 O ATOM 34469 H1 TIP3 7933 23.716 59.301 42.177 1.00 0.00 WT2 H ATOM 34470 H2 TIP3 7933 24.749 58.388 42.802 1.00 0.00 WT2 H ATOM 34471 OH2 TIP3 7938 73.297 58.443 3.946 1.00 0.00 WT2 O ATOM 34472 H1 TIP3 7938 72.371 58.675 3.878 1.00 0.00 WT2 H ATOM 34473 H2 TIP3 7938 73.670 59.112 4.520 1.00 0.00 WT2 H ATOM 34474 OH2 TIP3 7939 58.181 96.672 38.148 1.00 0.00 WT2 O ATOM 34475 H1 TIP3 7939 58.955 96.788 37.596 1.00 0.00 WT2 H ATOM 34476 H2 TIP3 7939 58.409 95.948 38.731 1.00 0.00 WT2 H ATOM 34477 OH2 TIP3 7940 73.653 59.557 62.379 1.00 0.00 WT2 O ATOM 34478 H1 TIP3 7940 73.012 58.883 62.155 1.00 0.00 WT2 H ATOM 34479 H2 TIP3 7940 73.249 60.377 62.094 1.00 0.00 WT2 H ATOM 34480 OH2 TIP3 7941 70.968 9.961 -8.880 1.00 0.00 WT2 O ATOM 34481 H1 TIP3 7941 70.919 10.907 -9.016 1.00 0.00 WT2 H ATOM 34482 H2 TIP3 7941 71.135 9.861 -7.943 1.00 0.00 WT2 H ATOM 34483 OH2 TIP3 7942 85.136 65.402 19.134 1.00 0.00 WT2 O ATOM 34484 H1 TIP3 7942 85.103 65.035 18.250 1.00 0.00 WT2 H ATOM 34485 H2 TIP3 7942 85.110 66.349 19.001 1.00 0.00 WT2 H ATOM 34486 OH2 TIP3 7944 32.946 23.605 5.854 1.00 0.00 WT2 O ATOM 34487 H1 TIP3 7944 33.084 23.672 6.799 1.00 0.00 WT2 H ATOM 34488 H2 TIP3 7944 33.822 23.687 5.477 1.00 0.00 WT2 H ATOM 34489 OH2 TIP3 7946 88.570 25.303 43.774 1.00 0.00 WT2 O ATOM 34490 H1 TIP3 7946 87.720 25.724 43.903 1.00 0.00 WT2 H ATOM 34491 H2 TIP3 7946 88.381 24.365 43.802 1.00 0.00 WT2 H ATOM 34492 OH2 TIP3 7947 30.781 18.713 36.688 1.00 0.00 WT2 O ATOM 34493 H1 TIP3 7947 30.903 19.464 36.107 1.00 0.00 WT2 H ATOM 34494 H2 TIP3 7947 30.452 19.092 37.504 1.00 0.00 WT2 H ATOM 34495 OH2 TIP3 7949 55.293 19.116 7.387 1.00 0.00 WT2 O ATOM 34496 H1 TIP3 7949 55.245 18.457 8.080 1.00 0.00 WT2 H ATOM 34497 H2 TIP3 7949 54.657 18.825 6.734 1.00 0.00 WT2 H ATOM 34498 OH2 TIP3 7959 37.751 59.581 65.641 1.00 0.00 WT2 O ATOM 34499 H1 TIP3 7959 38.500 60.155 65.803 1.00 0.00 WT2 H ATOM 34500 H2 TIP3 7959 37.895 58.830 66.216 1.00 0.00 WT2 H ATOM 34501 OH2 TIP3 7962 33.763 67.540 23.235 1.00 0.00 WT2 O ATOM 34502 H1 TIP3 7962 34.549 67.045 23.467 1.00 0.00 WT2 H ATOM 34503 H2 TIP3 7962 33.096 66.871 23.079 1.00 0.00 WT2 H ATOM 34504 OH2 TIP3 7963 46.457 13.992 54.897 1.00 0.00 WT2 O ATOM 34505 H1 TIP3 7963 46.579 13.338 54.209 1.00 0.00 WT2 H ATOM 34506 H2 TIP3 7963 46.937 13.643 55.648 1.00 0.00 WT2 H ATOM 34507 OH2 TIP3 7964 58.258 19.551 -13.738 1.00 0.00 WT2 O ATOM 34508 H1 TIP3 7964 58.561 19.901 -14.576 1.00 0.00 WT2 H ATOM 34509 H2 TIP3 7964 58.805 19.984 -13.084 1.00 0.00 WT2 H ATOM 34510 OH2 TIP3 7965 86.308 23.958 1.123 1.00 0.00 WT2 O ATOM 34511 H1 TIP3 7965 85.640 24.631 0.992 1.00 0.00 WT2 H ATOM 34512 H2 TIP3 7965 86.847 23.999 0.333 1.00 0.00 WT2 H ATOM 34513 OH2 TIP3 7967 65.871 9.834 -13.870 1.00 0.00 WT2 O ATOM 34514 H1 TIP3 7967 65.656 9.549 -12.982 1.00 0.00 WT2 H ATOM 34515 H2 TIP3 7967 66.006 10.779 -13.792 1.00 0.00 WT2 H ATOM 34516 OH2 TIP3 7969 75.754 21.527 48.521 1.00 0.00 WT2 O ATOM 34517 H1 TIP3 7969 75.942 21.897 47.658 1.00 0.00 WT2 H ATOM 34518 H2 TIP3 7969 74.866 21.179 48.444 1.00 0.00 WT2 H ATOM 34519 OH2 TIP3 7972 60.027 81.352 -7.861 1.00 0.00 WT2 O ATOM 34520 H1 TIP3 7972 60.852 81.114 -7.439 1.00 0.00 WT2 H ATOM 34521 H2 TIP3 7972 59.426 81.524 -7.136 1.00 0.00 WT2 H ATOM 34522 OH2 TIP3 7979 41.812 49.869 16.636 1.00 0.00 WT2 O ATOM 34523 H1 TIP3 7979 42.200 50.678 16.302 1.00 0.00 WT2 H ATOM 34524 H2 TIP3 7979 42.027 49.867 17.569 1.00 0.00 WT2 H ATOM 34525 OH2 TIP3 7981 64.298 3.397 57.096 1.00 0.00 WT2 O ATOM 34526 H1 TIP3 7981 64.856 3.909 57.682 1.00 0.00 WT2 H ATOM 34527 H2 TIP3 7981 64.882 3.120 56.390 1.00 0.00 WT2 H ATOM 34528 OH2 TIP3 7983 38.269 24.182 44.739 1.00 0.00 WT2 O ATOM 34529 H1 TIP3 7983 38.348 24.970 44.202 1.00 0.00 WT2 H ATOM 34530 H2 TIP3 7983 37.386 23.857 44.561 1.00 0.00 WT2 H ATOM 34531 OH2 TIP3 7984 22.596 63.837 10.892 1.00 0.00 WT2 O ATOM 34532 H1 TIP3 7984 23.441 64.286 10.928 1.00 0.00 WT2 H ATOM 34533 H2 TIP3 7984 22.068 64.367 10.295 1.00 0.00 WT2 H ATOM 34534 OH2 TIP3 7985 75.681 85.766 36.225 1.00 0.00 WT2 O ATOM 34535 H1 TIP3 7985 74.792 85.411 36.223 1.00 0.00 WT2 H ATOM 34536 H2 TIP3 7985 75.561 86.715 36.188 1.00 0.00 WT2 H ATOM 34537 OH2 TIP3 7986 24.634 95.903 -18.856 1.00 0.00 WT2 O ATOM 34538 H1 TIP3 7986 24.593 95.323 -19.616 1.00 0.00 WT2 H ATOM 34539 H2 TIP3 7986 24.033 95.512 -18.222 1.00 0.00 WT2 H ATOM 34540 OH2 TIP3 7987 81.765 83.426 -4.669 1.00 0.00 WT2 O ATOM 34541 H1 TIP3 7987 82.515 83.959 -4.405 1.00 0.00 WT2 H ATOM 34542 H2 TIP3 7987 81.988 83.114 -5.546 1.00 0.00 WT2 H ATOM 34543 OH2 TIP3 8003 89.099 46.349 43.036 1.00 0.00 WT2 O ATOM 34544 H1 TIP3 8003 88.353 45.753 43.101 1.00 0.00 WT2 H ATOM 34545 H2 TIP3 8003 88.802 47.044 42.448 1.00 0.00 WT2 H ATOM 34546 OH2 TIP3 8004 89.475 73.335 -2.602 1.00 0.00 WT2 O ATOM 34547 H1 TIP3 8004 89.582 72.513 -2.124 1.00 0.00 WT2 H ATOM 34548 H2 TIP3 8004 90.347 73.525 -2.950 1.00 0.00 WT2 H ATOM 34549 OH2 TIP3 8005 67.269 19.645 9.883 1.00 0.00 WT2 O ATOM 34550 H1 TIP3 8005 66.887 20.101 10.632 1.00 0.00 WT2 H ATOM 34551 H2 TIP3 8005 67.108 20.226 9.140 1.00 0.00 WT2 H ATOM 34552 OH2 TIP3 8007 81.516 60.199 -10.461 1.00 0.00 WT2 O ATOM 34553 H1 TIP3 8007 81.275 59.290 -10.643 1.00 0.00 WT2 H ATOM 34554 H2 TIP3 8007 80.824 60.520 -9.884 1.00 0.00 WT2 H ATOM 34555 OH2 TIP3 8012 44.387 44.263 14.439 1.00 0.00 WT2 O ATOM 34556 H1 TIP3 8012 44.546 45.204 14.362 1.00 0.00 WT2 H ATOM 34557 H2 TIP3 8012 44.189 44.127 15.365 1.00 0.00 WT2 H ATOM 34558 OH2 TIP3 8020 39.137 71.935 12.865 1.00 0.00 WT2 O ATOM 34559 H1 TIP3 8020 39.899 71.675 13.382 1.00 0.00 WT2 H ATOM 34560 H2 TIP3 8020 38.953 71.176 12.311 1.00 0.00 WT2 H ATOM 34561 OH2 TIP3 8022 20.200 4.943 50.561 1.00 0.00 WT2 O ATOM 34562 H1 TIP3 8022 20.110 4.700 49.640 1.00 0.00 WT2 H ATOM 34563 H2 TIP3 8022 20.998 4.499 50.850 1.00 0.00 WT2 H ATOM 34564 OH2 TIP3 8023 62.386 11.154 58.669 1.00 0.00 WT2 O ATOM 34565 H1 TIP3 8023 63.231 11.603 58.643 1.00 0.00 WT2 H ATOM 34566 H2 TIP3 8023 62.385 10.692 59.507 1.00 0.00 WT2 H ATOM 34567 OH2 TIP3 8024 77.134 61.315 32.730 1.00 0.00 WT2 O ATOM 34568 H1 TIP3 8024 76.839 61.987 32.115 1.00 0.00 WT2 H ATOM 34569 H2 TIP3 8024 76.551 60.572 32.572 1.00 0.00 WT2 H ATOM 34570 OH2 TIP3 8027 29.964 54.658 15.483 1.00 0.00 WT2 O ATOM 34571 H1 TIP3 8027 30.861 54.977 15.378 1.00 0.00 WT2 H ATOM 34572 H2 TIP3 8027 30.047 53.894 16.053 1.00 0.00 WT2 H ATOM 34573 OH2 TIP3 8029 20.519 65.439 38.961 1.00 0.00 WT2 O ATOM 34574 H1 TIP3 8029 21.376 65.859 39.032 1.00 0.00 WT2 H ATOM 34575 H2 TIP3 8029 20.053 65.953 38.302 1.00 0.00 WT2 H ATOM 34576 OH2 TIP3 8030 41.785 15.143 12.176 1.00 0.00 WT2 O ATOM 34577 H1 TIP3 8030 41.329 15.619 12.869 1.00 0.00 WT2 H ATOM 34578 H2 TIP3 8030 42.703 15.143 12.448 1.00 0.00 WT2 H ATOM 34579 OH2 TIP3 8040 61.786 40.287 42.228 1.00 0.00 WT2 O ATOM 34580 H1 TIP3 8040 61.873 40.410 41.282 1.00 0.00 WT2 H ATOM 34581 H2 TIP3 8040 61.860 39.341 42.355 1.00 0.00 WT2 H ATOM 34582 OH2 TIP3 8041 39.056 10.415 43.721 1.00 0.00 WT2 O ATOM 34583 H1 TIP3 8041 39.129 9.485 43.937 1.00 0.00 WT2 H ATOM 34584 H2 TIP3 8041 39.959 10.698 43.573 1.00 0.00 WT2 H ATOM 34585 OH2 TIP3 8045 28.792 68.230 44.726 1.00 0.00 WT2 O ATOM 34586 H1 TIP3 8045 29.669 68.045 45.064 1.00 0.00 WT2 H ATOM 34587 H2 TIP3 8045 28.929 68.429 43.800 1.00 0.00 WT2 H ATOM 34588 OH2 TIP3 8046 20.765 1.677 33.963 1.00 0.00 WT2 O ATOM 34589 H1 TIP3 8046 20.024 1.089 34.111 1.00 0.00 WT2 H ATOM 34590 H2 TIP3 8046 21.493 1.269 34.431 1.00 0.00 WT2 H ATOM 34591 OH2 TIP3 8047 79.737 45.338 46.457 1.00 0.00 WT2 O ATOM 34592 H1 TIP3 8047 79.814 45.796 47.294 1.00 0.00 WT2 H ATOM 34593 H2 TIP3 8047 78.867 45.573 46.134 1.00 0.00 WT2 H ATOM 34594 OH2 TIP3 8050 22.883 67.881 43.800 1.00 0.00 WT2 O ATOM 34595 H1 TIP3 8050 23.775 67.886 44.149 1.00 0.00 WT2 H ATOM 34596 H2 TIP3 8050 22.322 67.857 44.576 1.00 0.00 WT2 H ATOM 34597 OH2 TIP3 8052 65.225 96.832 10.412 1.00 0.00 WT2 O ATOM 34598 H1 TIP3 8052 64.874 96.004 10.740 1.00 0.00 WT2 H ATOM 34599 H2 TIP3 8052 65.113 96.781 9.462 1.00 0.00 WT2 H ATOM 34600 OH2 TIP3 8063 45.727 76.579 -11.090 1.00 0.00 WT2 O ATOM 34601 H1 TIP3 8063 45.750 76.632 -12.046 1.00 0.00 WT2 H ATOM 34602 H2 TIP3 8063 46.328 75.866 -10.875 1.00 0.00 WT2 H ATOM 34603 OH2 TIP3 8064 82.302 20.289 40.737 1.00 0.00 WT2 O ATOM 34604 H1 TIP3 8064 83.208 20.599 40.710 1.00 0.00 WT2 H ATOM 34605 H2 TIP3 8064 81.833 20.964 41.228 1.00 0.00 WT2 H ATOM 34606 OH2 TIP3 8067 46.376 42.715 4.503 1.00 0.00 WT2 O ATOM 34607 H1 TIP3 8067 46.468 42.947 5.427 1.00 0.00 WT2 H ATOM 34608 H2 TIP3 8067 45.890 41.891 4.509 1.00 0.00 WT2 H ATOM 34609 OH2 TIP3 8068 66.015 21.878 -11.052 1.00 0.00 WT2 O ATOM 34610 H1 TIP3 8068 66.453 22.250 -10.286 1.00 0.00 WT2 H ATOM 34611 H2 TIP3 8068 66.540 22.174 -11.795 1.00 0.00 WT2 H ATOM 34612 OH2 TIP3 8069 64.136 15.008 43.831 1.00 0.00 WT2 O ATOM 34613 H1 TIP3 8069 63.953 15.544 43.060 1.00 0.00 WT2 H ATOM 34614 H2 TIP3 8069 64.795 14.380 43.536 1.00 0.00 WT2 H ATOM 34615 OH2 TIP3 8070 82.891 18.340 47.814 1.00 0.00 WT2 O ATOM 34616 H1 TIP3 8070 82.975 18.919 47.056 1.00 0.00 WT2 H ATOM 34617 H2 TIP3 8070 82.920 17.457 47.445 1.00 0.00 WT2 H ATOM 34618 OH2 TIP3 8071 23.997 65.281 -12.445 1.00 0.00 WT2 O ATOM 34619 H1 TIP3 8071 23.648 66.134 -12.705 1.00 0.00 WT2 H ATOM 34620 H2 TIP3 8071 24.775 65.163 -12.991 1.00 0.00 WT2 H ATOM 34621 OH2 TIP3 8075 69.849 38.207 52.543 1.00 0.00 WT2 O ATOM 34622 H1 TIP3 8075 69.079 37.717 52.254 1.00 0.00 WT2 H ATOM 34623 H2 TIP3 8075 70.050 37.850 53.408 1.00 0.00 WT2 H ATOM 34624 OH2 TIP3 8084 45.345 80.224 -7.705 1.00 0.00 WT2 O ATOM 34625 H1 TIP3 8084 45.234 80.087 -6.764 1.00 0.00 WT2 H ATOM 34626 H2 TIP3 8084 45.358 79.342 -8.076 1.00 0.00 WT2 H ATOM 34627 OH2 TIP3 8085 59.243 26.604 20.529 1.00 0.00 WT2 O ATOM 34628 H1 TIP3 8085 58.659 26.497 21.280 1.00 0.00 WT2 H ATOM 34629 H2 TIP3 8085 58.716 27.072 19.881 1.00 0.00 WT2 H ATOM 34630 OH2 TIP3 8087 61.244 90.027 29.237 1.00 0.00 WT2 O ATOM 34631 H1 TIP3 8087 60.331 89.760 29.130 1.00 0.00 WT2 H ATOM 34632 H2 TIP3 8087 61.235 90.974 29.096 1.00 0.00 WT2 H ATOM 34633 OH2 TIP3 8088 21.407 69.140 9.126 1.00 0.00 WT2 O ATOM 34634 H1 TIP3 8088 22.248 69.467 8.806 1.00 0.00 WT2 H ATOM 34635 H2 TIP3 8088 20.818 69.218 8.376 1.00 0.00 WT2 H ATOM 34636 OH2 TIP3 8089 44.421 14.462 18.804 1.00 0.00 WT2 O ATOM 34637 H1 TIP3 8089 44.731 15.329 19.063 1.00 0.00 WT2 H ATOM 34638 H2 TIP3 8089 43.788 14.632 18.106 1.00 0.00 WT2 H ATOM 34639 OH2 TIP3 8091 44.157 49.110 62.655 1.00 0.00 WT2 O ATOM 34640 H1 TIP3 8091 43.636 49.781 63.096 1.00 0.00 WT2 H ATOM 34641 H2 TIP3 8091 44.725 48.759 63.340 1.00 0.00 WT2 H ATOM 34642 OH2 TIP3 8092 63.440 8.507 -4.923 1.00 0.00 WT2 O ATOM 34643 H1 TIP3 8092 64.348 8.561 -4.625 1.00 0.00 WT2 H ATOM 34644 H2 TIP3 8092 62.920 8.591 -4.124 1.00 0.00 WT2 H ATOM 34645 OH2 TIP3 8093 64.747 31.711 24.536 1.00 0.00 WT2 O ATOM 34646 H1 TIP3 8093 64.426 31.645 23.636 1.00 0.00 WT2 H ATOM 34647 H2 TIP3 8093 65.683 31.520 24.471 1.00 0.00 WT2 H ATOM 34648 OH2 TIP3 8095 70.480 35.042 27.825 1.00 0.00 WT2 O ATOM 34649 H1 TIP3 8095 70.003 35.694 27.311 1.00 0.00 WT2 H ATOM 34650 H2 TIP3 8095 71.398 35.171 27.585 1.00 0.00 WT2 H ATOM 34651 OH2 TIP3 8096 30.829 62.843 -1.667 1.00 0.00 WT2 O ATOM 34652 H1 TIP3 8096 31.224 62.438 -0.894 1.00 0.00 WT2 H ATOM 34653 H2 TIP3 8096 31.544 63.333 -2.073 1.00 0.00 WT2 H ATOM 34654 OH2 TIP3 8104 59.263 34.557 26.302 1.00 0.00 WT2 O ATOM 34655 H1 TIP3 8104 60.003 34.293 25.755 1.00 0.00 WT2 H ATOM 34656 H2 TIP3 8104 58.815 35.231 25.790 1.00 0.00 WT2 H ATOM 34657 OH2 TIP3 8106 80.392 65.841 14.905 1.00 0.00 WT2 O ATOM 34658 H1 TIP3 8106 80.316 64.918 14.662 1.00 0.00 WT2 H ATOM 34659 H2 TIP3 8106 79.488 66.140 14.997 1.00 0.00 WT2 H ATOM 34660 OH2 TIP3 8107 50.943 14.562 31.951 1.00 0.00 WT2 O ATOM 34661 H1 TIP3 8107 50.518 15.390 32.178 1.00 0.00 WT2 H ATOM 34662 H2 TIP3 8107 50.343 14.147 31.331 1.00 0.00 WT2 H ATOM 34663 OH2 TIP3 8109 51.968 31.963 -16.196 1.00 0.00 WT2 O ATOM 34664 H1 TIP3 8109 51.323 32.664 -16.098 1.00 0.00 WT2 H ATOM 34665 H2 TIP3 8109 52.602 32.121 -15.497 1.00 0.00 WT2 H ATOM 34666 OH2 TIP3 8110 35.692 43.303 38.463 1.00 0.00 WT2 O ATOM 34667 H1 TIP3 8110 36.402 43.734 38.939 1.00 0.00 WT2 H ATOM 34668 H2 TIP3 8110 35.665 43.748 37.616 1.00 0.00 WT2 H ATOM 34669 OH2 TIP3 8111 79.526 27.634 10.994 1.00 0.00 WT2 O ATOM 34670 H1 TIP3 8111 80.092 27.641 11.766 1.00 0.00 WT2 H ATOM 34671 H2 TIP3 8111 79.774 28.421 10.508 1.00 0.00 WT2 H ATOM 34672 OH2 TIP3 8112 53.030 30.141 8.269 1.00 0.00 WT2 O ATOM 34673 H1 TIP3 8112 53.593 29.522 8.734 1.00 0.00 WT2 H ATOM 34674 H2 TIP3 8112 52.168 30.029 8.669 1.00 0.00 WT2 H ATOM 34675 OH2 TIP3 8113 84.881 31.402 20.489 1.00 0.00 WT2 O ATOM 34676 H1 TIP3 8113 85.175 32.082 21.094 1.00 0.00 WT2 H ATOM 34677 H2 TIP3 8113 84.055 31.091 20.860 1.00 0.00 WT2 H ATOM 34678 OH2 TIP3 8114 90.010 32.551 34.334 1.00 0.00 WT2 O ATOM 34679 H1 TIP3 8114 90.762 33.138 34.258 1.00 0.00 WT2 H ATOM 34680 H2 TIP3 8114 89.466 32.945 35.015 1.00 0.00 WT2 H ATOM 34681 OH2 TIP3 8126 78.768 65.411 -13.733 1.00 0.00 WT2 O ATOM 34682 H1 TIP3 8126 79.167 65.675 -12.904 1.00 0.00 WT2 H ATOM 34683 H2 TIP3 8126 79.510 65.265 -14.320 1.00 0.00 WT2 H ATOM 34684 OH2 TIP3 8129 59.383 59.438 54.404 1.00 0.00 WT2 O ATOM 34685 H1 TIP3 8129 59.199 58.554 54.087 1.00 0.00 WT2 H ATOM 34686 H2 TIP3 8129 60.205 59.679 53.977 1.00 0.00 WT2 H ATOM 34687 OH2 TIP3 8131 70.487 9.687 61.284 1.00 0.00 WT2 O ATOM 34688 H1 TIP3 8131 71.332 9.241 61.234 1.00 0.00 WT2 H ATOM 34689 H2 TIP3 8131 69.883 9.020 61.611 1.00 0.00 WT2 H ATOM 34690 OH2 TIP3 8135 26.674 94.957 60.627 1.00 0.00 WT2 O ATOM 34691 H1 TIP3 8135 27.546 95.175 60.297 1.00 0.00 WT2 H ATOM 34692 H2 TIP3 8135 26.665 95.292 61.523 1.00 0.00 WT2 H ATOM 34693 OH2 TIP3 8136 23.023 89.304 15.015 1.00 0.00 WT2 O ATOM 34694 H1 TIP3 8136 22.564 88.466 14.962 1.00 0.00 WT2 H ATOM 34695 H2 TIP3 8136 23.266 89.387 15.937 1.00 0.00 WT2 H ATOM 34696 OH2 TIP3 8150 73.444 86.540 -8.493 1.00 0.00 WT2 O ATOM 34697 H1 TIP3 8150 74.143 87.167 -8.680 1.00 0.00 WT2 H ATOM 34698 H2 TIP3 8150 72.701 87.082 -8.225 1.00 0.00 WT2 H ATOM 34699 OH2 TIP3 8152 51.592 51.262 56.448 1.00 0.00 WT2 O ATOM 34700 H1 TIP3 8152 51.921 51.326 55.551 1.00 0.00 WT2 H ATOM 34701 H2 TIP3 8152 50.685 51.562 56.393 1.00 0.00 WT2 H ATOM 34702 OH2 TIP3 8154 25.687 31.901 29.037 1.00 0.00 WT2 O ATOM 34703 H1 TIP3 8154 26.262 32.397 29.619 1.00 0.00 WT2 H ATOM 34704 H2 TIP3 8154 26.264 31.261 28.618 1.00 0.00 WT2 H ATOM 34705 OH2 TIP3 8155 31.464 86.034 57.951 1.00 0.00 WT2 O ATOM 34706 H1 TIP3 8155 31.065 85.199 58.196 1.00 0.00 WT2 H ATOM 34707 H2 TIP3 8155 30.990 86.306 57.165 1.00 0.00 WT2 H ATOM 34708 OH2 TIP3 8157 86.515 91.745 -9.595 1.00 0.00 WT2 O ATOM 34709 H1 TIP3 8157 85.569 91.596 -9.623 1.00 0.00 WT2 H ATOM 34710 H2 TIP3 8157 86.854 91.034 -9.052 1.00 0.00 WT2 H ATOM 34711 OH2 TIP3 8159 30.982 86.438 10.373 1.00 0.00 WT2 O ATOM 34712 H1 TIP3 8159 31.879 86.393 10.705 1.00 0.00 WT2 H ATOM 34713 H2 TIP3 8159 30.584 87.165 10.852 1.00 0.00 WT2 H ATOM 34714 OH2 TIP3 8169 84.113 69.047 4.230 1.00 0.00 WT2 O ATOM 34715 H1 TIP3 8169 84.327 69.468 3.397 1.00 0.00 WT2 H ATOM 34716 H2 TIP3 8169 84.260 68.114 4.072 1.00 0.00 WT2 H ATOM 34717 OH2 TIP3 8171 39.570 59.446 -8.958 1.00 0.00 WT2 O ATOM 34718 H1 TIP3 8171 40.227 60.135 -9.059 1.00 0.00 WT2 H ATOM 34719 H2 TIP3 8171 39.670 59.151 -8.053 1.00 0.00 WT2 H ATOM 34720 OH2 TIP3 8173 53.414 42.154 42.692 1.00 0.00 WT2 O ATOM 34721 H1 TIP3 8173 54.011 42.471 42.014 1.00 0.00 WT2 H ATOM 34722 H2 TIP3 8173 52.897 41.475 42.259 1.00 0.00 WT2 H ATOM 34723 OH2 TIP3 8174 34.742 45.598 61.171 1.00 0.00 WT2 O ATOM 34724 H1 TIP3 8174 34.568 44.867 61.764 1.00 0.00 WT2 H ATOM 34725 H2 TIP3 8174 33.884 45.997 61.024 1.00 0.00 WT2 H ATOM 34726 OH2 TIP3 8178 37.666 36.296 9.692 1.00 0.00 WT2 O ATOM 34727 H1 TIP3 8178 36.737 36.068 9.679 1.00 0.00 WT2 H ATOM 34728 H2 TIP3 8178 37.700 37.184 9.335 1.00 0.00 WT2 H ATOM 34729 OH2 TIP3 8181 82.771 6.046 60.700 1.00 0.00 WT2 O ATOM 34730 H1 TIP3 8181 82.385 5.213 60.973 1.00 0.00 WT2 H ATOM 34731 H2 TIP3 8181 83.487 6.192 61.318 1.00 0.00 WT2 H ATOM 34732 OH2 TIP3 8192 25.318 33.812 35.770 1.00 0.00 WT2 O ATOM 34733 H1 TIP3 8192 26.214 33.812 36.107 1.00 0.00 WT2 H ATOM 34734 H2 TIP3 8192 25.024 34.718 35.867 1.00 0.00 WT2 H ATOM 34735 OH2 TIP3 8193 43.291 96.759 42.146 1.00 0.00 WT2 O ATOM 34736 H1 TIP3 8193 43.107 97.482 42.746 1.00 0.00 WT2 H ATOM 34737 H2 TIP3 8193 42.727 96.047 42.447 1.00 0.00 WT2 H ATOM 34738 OH2 TIP3 8194 66.383 22.276 49.995 1.00 0.00 WT2 O ATOM 34739 H1 TIP3 8194 66.608 23.061 50.493 1.00 0.00 WT2 H ATOM 34740 H2 TIP3 8194 66.253 22.588 49.099 1.00 0.00 WT2 H ATOM 34741 OH2 TIP3 8196 59.513 29.719 62.344 1.00 0.00 WT2 O ATOM 34742 H1 TIP3 8196 58.968 29.234 61.723 1.00 0.00 WT2 H ATOM 34743 H2 TIP3 8196 59.817 30.481 61.851 1.00 0.00 WT2 H ATOM 34744 OH2 TIP3 8198 35.213 17.308 30.489 1.00 0.00 WT2 O ATOM 34745 H1 TIP3 8198 35.700 17.448 29.678 1.00 0.00 WT2 H ATOM 34746 H2 TIP3 8198 35.089 18.186 30.849 1.00 0.00 WT2 H ATOM 34747 OH2 TIP3 8200 21.182 47.483 50.148 1.00 0.00 WT2 O ATOM 34748 H1 TIP3 8200 22.010 47.720 49.731 1.00 0.00 WT2 H ATOM 34749 H2 TIP3 8200 20.798 46.828 49.564 1.00 0.00 WT2 H ATOM 34750 OH2 TIP3 8211 53.490 36.940 -7.741 1.00 0.00 WT2 O ATOM 34751 H1 TIP3 8211 54.213 37.257 -8.281 1.00 0.00 WT2 H ATOM 34752 H2 TIP3 8211 53.913 36.580 -6.961 1.00 0.00 WT2 H ATOM 34753 OH2 TIP3 8212 40.079 24.452 61.689 1.00 0.00 WT2 O ATOM 34754 H1 TIP3 8212 40.117 24.952 62.505 1.00 0.00 WT2 H ATOM 34755 H2 TIP3 8212 40.013 23.539 61.969 1.00 0.00 WT2 H ATOM 34756 OH2 TIP3 8215 28.653 40.890 54.154 1.00 0.00 WT2 O ATOM 34757 H1 TIP3 8215 28.615 40.348 53.367 1.00 0.00 WT2 H ATOM 34758 H2 TIP3 8215 27.737 41.068 54.368 1.00 0.00 WT2 H ATOM 34759 OH2 TIP3 8216 59.142 93.167 8.159 1.00 0.00 WT2 O ATOM 34760 H1 TIP3 8216 58.332 92.655 8.156 1.00 0.00 WT2 H ATOM 34761 H2 TIP3 8216 58.866 94.050 8.405 1.00 0.00 WT2 H ATOM 34762 OH2 TIP3 8218 68.790 92.700 37.529 1.00 0.00 WT2 O ATOM 34763 H1 TIP3 8218 69.600 93.187 37.678 1.00 0.00 WT2 H ATOM 34764 H2 TIP3 8218 68.161 93.089 38.137 1.00 0.00 WT2 H ATOM 34765 OH2 TIP3 8219 65.448 48.061 2.168 1.00 0.00 WT2 O ATOM 34766 H1 TIP3 8219 65.496 48.873 2.673 1.00 0.00 WT2 H ATOM 34767 H2 TIP3 8219 64.888 47.486 2.690 1.00 0.00 WT2 H ATOM 34768 OH2 TIP3 8231 49.361 3.686 58.874 1.00 0.00 WT2 O ATOM 34769 H1 TIP3 8231 49.564 4.497 59.341 1.00 0.00 WT2 H ATOM 34770 H2 TIP3 8231 50.205 3.385 58.538 1.00 0.00 WT2 H ATOM 34771 OH2 TIP3 8233 39.026 84.924 -1.175 1.00 0.00 WT2 O ATOM 34772 H1 TIP3 8233 39.918 85.190 -0.954 1.00 0.00 WT2 H ATOM 34773 H2 TIP3 8233 39.085 84.609 -2.078 1.00 0.00 WT2 H ATOM 34774 OH2 TIP3 8234 43.853 26.231 -2.621 1.00 0.00 WT2 O ATOM 34775 H1 TIP3 8234 43.115 25.708 -2.933 1.00 0.00 WT2 H ATOM 34776 H2 TIP3 8234 44.531 25.589 -2.409 1.00 0.00 WT2 H ATOM 34777 OH2 TIP3 8235 28.939 92.272 42.699 1.00 0.00 WT2 O ATOM 34778 H1 TIP3 8235 29.145 93.206 42.696 1.00 0.00 WT2 H ATOM 34779 H2 TIP3 8235 28.285 92.168 42.008 1.00 0.00 WT2 H ATOM 34780 OH2 TIP3 8239 71.505 71.141 -12.993 1.00 0.00 WT2 O ATOM 34781 H1 TIP3 8239 71.224 70.939 -12.100 1.00 0.00 WT2 H ATOM 34782 H2 TIP3 8239 72.385 71.505 -12.891 1.00 0.00 WT2 H ATOM 34783 OH2 TIP3 8240 28.896 76.123 1.811 1.00 0.00 WT2 O ATOM 34784 H1 TIP3 8240 29.458 75.527 1.317 1.00 0.00 WT2 H ATOM 34785 H2 TIP3 8240 29.465 76.481 2.492 1.00 0.00 WT2 H ATOM 34786 OH2 TIP3 8242 36.145 23.547 31.415 1.00 0.00 WT2 O ATOM 34787 H1 TIP3 8242 36.610 22.788 31.061 1.00 0.00 WT2 H ATOM 34788 H2 TIP3 8242 36.784 24.259 31.377 1.00 0.00 WT2 H ATOM 34789 OH2 TIP3 8256 70.399 35.228 53.198 1.00 0.00 WT2 O ATOM 34790 H1 TIP3 8256 71.007 34.916 52.529 1.00 0.00 WT2 H ATOM 34791 H2 TIP3 8256 69.586 35.400 52.722 1.00 0.00 WT2 H ATOM 34792 OH2 TIP3 8257 79.553 9.351 -4.372 1.00 0.00 WT2 O ATOM 34793 H1 TIP3 8257 79.501 10.235 -4.734 1.00 0.00 WT2 H ATOM 34794 H2 TIP3 8257 78.879 9.329 -3.693 1.00 0.00 WT2 H ATOM 34795 OH2 TIP3 8258 53.206 3.324 28.868 1.00 0.00 WT2 O ATOM 34796 H1 TIP3 8258 52.350 2.977 28.616 1.00 0.00 WT2 H ATOM 34797 H2 TIP3 8258 53.613 3.582 28.041 1.00 0.00 WT2 H ATOM 34798 OH2 TIP3 8259 82.214 70.400 59.013 1.00 0.00 WT2 O ATOM 34799 H1 TIP3 8259 83.015 70.111 58.576 1.00 0.00 WT2 H ATOM 34800 H2 TIP3 8259 82.049 71.274 58.658 1.00 0.00 WT2 H ATOM 34801 OH2 TIP3 8260 38.204 39.690 15.781 1.00 0.00 WT2 O ATOM 34802 H1 TIP3 8260 38.249 39.570 16.729 1.00 0.00 WT2 H ATOM 34803 H2 TIP3 8260 38.845 40.376 15.595 1.00 0.00 WT2 H ATOM 34804 OH2 TIP3 8276 56.076 24.362 21.814 1.00 0.00 WT2 O ATOM 34805 H1 TIP3 8276 56.306 25.253 22.078 1.00 0.00 WT2 H ATOM 34806 H2 TIP3 8276 55.189 24.233 22.149 1.00 0.00 WT2 H ATOM 34807 OH2 TIP3 8277 68.282 70.685 -14.094 1.00 0.00 WT2 O ATOM 34808 H1 TIP3 8277 67.761 71.403 -14.453 1.00 0.00 WT2 H ATOM 34809 H2 TIP3 8277 68.502 70.145 -14.852 1.00 0.00 WT2 H ATOM 34810 OH2 TIP3 8278 81.416 85.435 14.433 1.00 0.00 WT2 O ATOM 34811 H1 TIP3 8278 81.102 84.555 14.641 1.00 0.00 WT2 H ATOM 34812 H2 TIP3 8278 82.330 85.438 14.718 1.00 0.00 WT2 H ATOM 34813 OH2 TIP3 8279 57.569 21.892 -3.226 1.00 0.00 WT2 O ATOM 34814 H1 TIP3 8279 56.765 21.377 -3.295 1.00 0.00 WT2 H ATOM 34815 H2 TIP3 8279 57.285 22.798 -3.341 1.00 0.00 WT2 H ATOM 34816 OH2 TIP3 8280 68.387 13.134 -7.490 1.00 0.00 WT2 O ATOM 34817 H1 TIP3 8280 68.673 14.035 -7.339 1.00 0.00 WT2 H ATOM 34818 H2 TIP3 8280 68.623 12.670 -6.687 1.00 0.00 WT2 H ATOM 34819 OH2 TIP3 8281 62.690 39.182 58.045 1.00 0.00 WT2 O ATOM 34820 H1 TIP3 8281 63.265 39.133 57.281 1.00 0.00 WT2 H ATOM 34821 H2 TIP3 8281 63.243 38.912 58.778 1.00 0.00 WT2 H ATOM 34822 OH2 TIP3 8297 59.817 47.208 -13.506 1.00 0.00 WT2 O ATOM 34823 H1 TIP3 8297 60.105 47.155 -12.595 1.00 0.00 WT2 H ATOM 34824 H2 TIP3 8297 60.103 48.074 -13.798 1.00 0.00 WT2 H ATOM 34825 OH2 TIP3 8300 64.075 91.045 39.642 1.00 0.00 WT2 O ATOM 34826 H1 TIP3 8300 64.474 91.150 38.778 1.00 0.00 WT2 H ATOM 34827 H2 TIP3 8300 64.138 90.107 39.823 1.00 0.00 WT2 H ATOM 34828 OH2 TIP3 8301 68.632 51.284 -19.917 1.00 0.00 WT2 O ATOM 34829 H1 TIP3 8301 69.187 51.276 -19.138 1.00 0.00 WT2 H ATOM 34830 H2 TIP3 8301 68.113 52.084 -19.835 1.00 0.00 WT2 H ATOM 34831 OH2 TIP3 8302 45.930 38.619 43.713 1.00 0.00 WT2 O ATOM 34832 H1 TIP3 8302 45.471 38.556 44.551 1.00 0.00 WT2 H ATOM 34833 H2 TIP3 8302 45.610 37.873 43.207 1.00 0.00 WT2 H ATOM 34834 OH2 TIP3 8305 52.357 8.318 9.318 1.00 0.00 WT2 O ATOM 34835 H1 TIP3 8305 51.789 7.660 9.718 1.00 0.00 WT2 H ATOM 34836 H2 TIP3 8305 52.375 9.036 9.951 1.00 0.00 WT2 H ATOM 34837 OH2 TIP3 8315 35.410 34.998 -3.302 1.00 0.00 WT2 O ATOM 34838 H1 TIP3 8315 35.954 35.785 -3.271 1.00 0.00 WT2 H ATOM 34839 H2 TIP3 8315 35.021 35.010 -4.177 1.00 0.00 WT2 H ATOM 34840 OH2 TIP3 8317 59.911 67.633 -4.636 1.00 0.00 WT2 O ATOM 34841 H1 TIP3 8317 58.976 67.550 -4.821 1.00 0.00 WT2 H ATOM 34842 H2 TIP3 8317 60.304 66.854 -5.030 1.00 0.00 WT2 H ATOM 34843 OH2 TIP3 8319 78.022 32.959 26.501 1.00 0.00 WT2 O ATOM 34844 H1 TIP3 8319 78.598 33.608 26.905 1.00 0.00 WT2 H ATOM 34845 H2 TIP3 8319 77.312 33.473 26.118 1.00 0.00 WT2 H ATOM 34846 OH2 TIP3 8322 29.723 73.861 56.772 1.00 0.00 WT2 O ATOM 34847 H1 TIP3 8322 30.106 74.433 57.437 1.00 0.00 WT2 H ATOM 34848 H2 TIP3 8322 30.473 73.417 56.376 1.00 0.00 WT2 H ATOM 34849 OH2 TIP3 8323 58.098 49.142 47.309 1.00 0.00 WT2 O ATOM 34850 H1 TIP3 8323 57.881 48.305 46.899 1.00 0.00 WT2 H ATOM 34851 H2 TIP3 8323 58.765 48.925 47.960 1.00 0.00 WT2 H ATOM 34852 OH2 TIP3 8324 71.701 16.815 52.640 1.00 0.00 WT2 O ATOM 34853 H1 TIP3 8324 72.111 17.576 52.230 1.00 0.00 WT2 H ATOM 34854 H2 TIP3 8324 71.835 16.947 53.579 1.00 0.00 WT2 H ATOM 34855 OH2 TIP3 8325 59.932 61.537 -5.916 1.00 0.00 WT2 O ATOM 34856 H1 TIP3 8325 60.172 61.869 -5.051 1.00 0.00 WT2 H ATOM 34857 H2 TIP3 8325 60.186 60.614 -5.897 1.00 0.00 WT2 H ATOM 34858 OH2 TIP3 8338 30.022 62.658 2.381 1.00 0.00 WT2 O ATOM 34859 H1 TIP3 8338 29.826 62.514 3.307 1.00 0.00 WT2 H ATOM 34860 H2 TIP3 8338 30.338 61.811 2.067 1.00 0.00 WT2 H ATOM 34861 OH2 TIP3 8339 41.573 2.008 55.450 1.00 0.00 WT2 O ATOM 34862 H1 TIP3 8339 42.001 1.152 55.447 1.00 0.00 WT2 H ATOM 34863 H2 TIP3 8339 42.215 2.597 55.847 1.00 0.00 WT2 H ATOM 34864 OH2 TIP3 8344 90.209 90.826 7.828 1.00 0.00 WT2 O ATOM 34865 H1 TIP3 8344 90.796 90.689 8.572 1.00 0.00 WT2 H ATOM 34866 H2 TIP3 8344 89.767 89.985 7.713 1.00 0.00 WT2 H ATOM 34867 OH2 TIP3 8345 24.355 17.045 -0.844 1.00 0.00 WT2 O ATOM 34868 H1 TIP3 8345 23.832 16.492 -0.264 1.00 0.00 WT2 H ATOM 34869 H2 TIP3 8345 25.071 17.361 -0.293 1.00 0.00 WT2 H ATOM 34870 OH2 TIP3 8347 65.051 25.263 38.371 1.00 0.00 WT2 O ATOM 34871 H1 TIP3 8347 65.147 24.328 38.187 1.00 0.00 WT2 H ATOM 34872 H2 TIP3 8347 64.435 25.302 39.103 1.00 0.00 WT2 H ATOM 34873 OH2 TIP3 8362 73.105 95.206 41.164 1.00 0.00 WT2 O ATOM 34874 H1 TIP3 8362 73.126 96.127 41.424 1.00 0.00 WT2 H ATOM 34875 H2 TIP3 8362 72.183 95.030 40.977 1.00 0.00 WT2 H ATOM 34876 OH2 TIP3 8363 75.016 68.014 -7.589 1.00 0.00 WT2 O ATOM 34877 H1 TIP3 8363 75.112 67.840 -8.525 1.00 0.00 WT2 H ATOM 34878 H2 TIP3 8363 74.283 67.462 -7.317 1.00 0.00 WT2 H ATOM 34879 OH2 TIP3 8364 73.263 63.251 16.446 1.00 0.00 WT2 O ATOM 34880 H1 TIP3 8364 72.598 62.773 16.942 1.00 0.00 WT2 H ATOM 34881 H2 TIP3 8364 74.094 62.866 16.726 1.00 0.00 WT2 H ATOM 34882 OH2 TIP3 8365 69.181 77.203 14.106 1.00 0.00 WT2 O ATOM 34883 H1 TIP3 8365 68.526 77.273 14.800 1.00 0.00 WT2 H ATOM 34884 H2 TIP3 8365 68.701 76.848 13.357 1.00 0.00 WT2 H ATOM 34885 OH2 TIP3 8366 70.056 84.622 64.520 1.00 0.00 WT2 O ATOM 34886 H1 TIP3 8366 70.738 83.983 64.312 1.00 0.00 WT2 H ATOM 34887 H2 TIP3 8366 70.367 85.440 64.133 1.00 0.00 WT2 H ATOM 34888 OH2 TIP3 8367 70.554 77.249 22.949 1.00 0.00 WT2 O ATOM 34889 H1 TIP3 8367 69.814 76.941 22.426 1.00 0.00 WT2 H ATOM 34890 H2 TIP3 8367 71.219 76.568 22.849 1.00 0.00 WT2 H ATOM 34891 OH2 TIP3 8377 68.464 83.764 13.103 1.00 0.00 WT2 O ATOM 34892 H1 TIP3 8377 68.803 83.048 13.640 1.00 0.00 WT2 H ATOM 34893 H2 TIP3 8377 69.077 83.824 12.370 1.00 0.00 WT2 H ATOM 34894 OH2 TIP3 8378 44.580 34.315 9.710 1.00 0.00 WT2 O ATOM 34895 H1 TIP3 8378 43.937 34.953 10.021 1.00 0.00 WT2 H ATOM 34896 H2 TIP3 8378 44.907 33.896 10.505 1.00 0.00 WT2 H ATOM 34897 OH2 TIP3 8379 30.012 26.332 3.598 1.00 0.00 WT2 O ATOM 34898 H1 TIP3 8379 30.014 26.777 2.751 1.00 0.00 WT2 H ATOM 34899 H2 TIP3 8379 30.008 27.041 4.241 1.00 0.00 WT2 H ATOM 34900 OH2 TIP3 8380 74.663 31.831 58.002 1.00 0.00 WT2 O ATOM 34901 H1 TIP3 8380 75.399 31.704 58.601 1.00 0.00 WT2 H ATOM 34902 H2 TIP3 8380 73.905 31.491 58.478 1.00 0.00 WT2 H ATOM 34903 OH2 TIP3 8381 82.106 23.873 31.188 1.00 0.00 WT2 O ATOM 34904 H1 TIP3 8381 82.963 24.206 31.452 1.00 0.00 WT2 H ATOM 34905 H2 TIP3 8381 81.482 24.366 31.721 1.00 0.00 WT2 H ATOM 34906 OH2 TIP3 8382 39.981 25.044 -8.624 1.00 0.00 WT2 O ATOM 34907 H1 TIP3 8382 40.708 24.471 -8.866 1.00 0.00 WT2 H ATOM 34908 H2 TIP3 8382 39.788 24.817 -7.715 1.00 0.00 WT2 H ATOM 34909 OH2 TIP3 8383 61.466 57.617 0.231 1.00 0.00 WT2 O ATOM 34910 H1 TIP3 8383 62.132 57.983 0.812 1.00 0.00 WT2 H ATOM 34911 H2 TIP3 8383 60.711 57.463 0.798 1.00 0.00 WT2 H ATOM 34912 OH2 TIP3 8384 56.631 17.961 32.969 1.00 0.00 WT2 O ATOM 34913 H1 TIP3 8384 57.104 18.666 32.527 1.00 0.00 WT2 H ATOM 34914 H2 TIP3 8384 56.156 17.515 32.268 1.00 0.00 WT2 H ATOM 34915 OH2 TIP3 8385 72.049 42.872 -1.942 1.00 0.00 WT2 O ATOM 34916 H1 TIP3 8385 71.905 43.811 -1.826 1.00 0.00 WT2 H ATOM 34917 H2 TIP3 8385 72.355 42.568 -1.087 1.00 0.00 WT2 H ATOM 34918 OH2 TIP3 8386 79.080 21.161 -5.830 1.00 0.00 WT2 O ATOM 34919 H1 TIP3 8386 78.596 21.554 -6.557 1.00 0.00 WT2 H ATOM 34920 H2 TIP3 8386 79.249 20.262 -6.112 1.00 0.00 WT2 H ATOM 34921 OH2 TIP3 8388 39.021 23.974 4.093 1.00 0.00 WT2 O ATOM 34922 H1 TIP3 8388 38.385 24.350 4.701 1.00 0.00 WT2 H ATOM 34923 H2 TIP3 8388 39.647 24.681 3.934 1.00 0.00 WT2 H ATOM 34924 OH2 TIP3 8389 64.074 27.633 -11.454 1.00 0.00 WT2 O ATOM 34925 H1 TIP3 8389 64.806 28.206 -11.227 1.00 0.00 WT2 H ATOM 34926 H2 TIP3 8389 63.396 28.225 -11.778 1.00 0.00 WT2 H ATOM 34927 OH2 TIP3 8390 79.711 79.201 26.564 1.00 0.00 WT2 O ATOM 34928 H1 TIP3 8390 80.086 78.348 26.784 1.00 0.00 WT2 H ATOM 34929 H2 TIP3 8390 78.811 79.007 26.305 1.00 0.00 WT2 H ATOM 34930 OH2 TIP3 8403 38.656 78.860 60.313 1.00 0.00 WT2 O ATOM 34931 H1 TIP3 8403 38.872 78.126 59.737 1.00 0.00 WT2 H ATOM 34932 H2 TIP3 8403 38.397 79.563 59.718 1.00 0.00 WT2 H ATOM 34933 OH2 TIP3 8405 37.147 80.643 32.083 1.00 0.00 WT2 O ATOM 34934 H1 TIP3 8405 36.986 80.542 31.145 1.00 0.00 WT2 H ATOM 34935 H2 TIP3 8405 37.867 80.041 32.269 1.00 0.00 WT2 H ATOM 34936 OH2 TIP3 8411 26.025 15.513 52.441 1.00 0.00 WT2 O ATOM 34937 H1 TIP3 8411 25.535 15.321 51.641 1.00 0.00 WT2 H ATOM 34938 H2 TIP3 8411 26.836 15.013 52.351 1.00 0.00 WT2 H ATOM 34939 OH2 TIP3 8425 49.097 95.451 63.245 1.00 0.00 WT2 O ATOM 34940 H1 TIP3 8425 48.531 96.081 63.690 1.00 0.00 WT2 H ATOM 34941 H2 TIP3 8425 48.522 94.711 63.046 1.00 0.00 WT2 H ATOM 34942 OH2 TIP3 8427 59.894 20.853 -11.818 1.00 0.00 WT2 O ATOM 34943 H1 TIP3 8427 59.403 21.140 -11.048 1.00 0.00 WT2 H ATOM 34944 H2 TIP3 8427 60.452 21.599 -12.039 1.00 0.00 WT2 H ATOM 34945 OH2 TIP3 8428 69.254 62.726 27.569 1.00 0.00 WT2 O ATOM 34946 H1 TIP3 8428 68.871 63.039 28.389 1.00 0.00 WT2 H ATOM 34947 H2 TIP3 8428 69.079 61.785 27.566 1.00 0.00 WT2 H ATOM 34948 OH2 TIP3 8431 82.068 52.903 30.130 1.00 0.00 WT2 O ATOM 34949 H1 TIP3 8431 81.953 53.322 30.983 1.00 0.00 WT2 H ATOM 34950 H2 TIP3 8431 81.177 52.744 29.819 1.00 0.00 WT2 H ATOM 34951 OH2 TIP3 8441 60.916 43.339 47.468 1.00 0.00 WT2 O ATOM 34952 H1 TIP3 8441 61.477 42.777 46.934 1.00 0.00 WT2 H ATOM 34953 H2 TIP3 8441 61.079 43.056 48.368 1.00 0.00 WT2 H ATOM 34954 OH2 TIP3 8442 90.468 6.152 33.280 1.00 0.00 WT2 O ATOM 34955 H1 TIP3 8442 90.068 5.371 33.661 1.00 0.00 WT2 H ATOM 34956 H2 TIP3 8442 90.381 6.822 33.958 1.00 0.00 WT2 H ATOM 34957 OH2 TIP3 8444 77.399 11.761 65.967 1.00 0.00 WT2 O ATOM 34958 H1 TIP3 8444 78.014 11.046 65.801 1.00 0.00 WT2 H ATOM 34959 H2 TIP3 8444 76.718 11.369 66.513 1.00 0.00 WT2 H ATOM 34960 OH2 TIP3 8445 31.621 66.274 48.191 1.00 0.00 WT2 O ATOM 34961 H1 TIP3 8445 32.023 65.475 47.849 1.00 0.00 WT2 H ATOM 34962 H2 TIP3 8445 31.390 66.779 47.412 1.00 0.00 WT2 H ATOM 34963 OH2 TIP3 8446 27.902 1.145 -19.546 1.00 0.00 WT2 O ATOM 34964 H1 TIP3 8446 27.278 1.356 -18.852 1.00 0.00 WT2 H ATOM 34965 H2 TIP3 8446 28.497 0.508 -19.148 1.00 0.00 WT2 H ATOM 34966 OH2 TIP3 8449 42.040 17.169 21.181 1.00 0.00 WT2 O ATOM 34967 H1 TIP3 8449 42.090 17.774 20.441 1.00 0.00 WT2 H ATOM 34968 H2 TIP3 8449 42.372 17.671 21.925 1.00 0.00 WT2 H ATOM 34969 OH2 TIP3 8455 34.468 93.795 54.428 1.00 0.00 WT2 O ATOM 34970 H1 TIP3 8455 34.852 93.615 55.287 1.00 0.00 WT2 H ATOM 34971 H2 TIP3 8455 35.108 93.454 53.803 1.00 0.00 WT2 H ATOM 34972 OH2 TIP3 8462 47.540 29.226 46.118 1.00 0.00 WT2 O ATOM 34973 H1 TIP3 8462 47.437 30.134 46.403 1.00 0.00 WT2 H ATOM 34974 H2 TIP3 8462 48.447 29.170 45.819 1.00 0.00 WT2 H ATOM 34975 OH2 TIP3 8463 83.525 13.039 -18.348 1.00 0.00 WT2 O ATOM 34976 H1 TIP3 8463 82.611 12.939 -18.613 1.00 0.00 WT2 H ATOM 34977 H2 TIP3 8463 83.597 13.954 -18.076 1.00 0.00 WT2 H ATOM 34978 OH2 TIP3 8465 28.490 26.269 49.108 1.00 0.00 WT2 O ATOM 34979 H1 TIP3 8465 27.665 26.447 48.657 1.00 0.00 WT2 H ATOM 34980 H2 TIP3 8465 29.135 26.189 48.406 1.00 0.00 WT2 H ATOM 34981 OH2 TIP3 8466 84.294 6.914 63.110 1.00 0.00 WT2 O ATOM 34982 H1 TIP3 8466 83.425 6.535 63.241 1.00 0.00 WT2 H ATOM 34983 H2 TIP3 8466 84.816 6.574 63.836 1.00 0.00 WT2 H ATOM 34984 OH2 TIP3 8468 58.300 54.502 -5.441 1.00 0.00 WT2 O ATOM 34985 H1 TIP3 8468 57.397 54.188 -5.395 1.00 0.00 WT2 H ATOM 34986 H2 TIP3 8468 58.245 55.427 -5.201 1.00 0.00 WT2 H ATOM 34987 OH2 TIP3 8471 44.188 65.349 -13.673 1.00 0.00 WT2 O ATOM 34988 H1 TIP3 8471 43.612 65.688 -14.358 1.00 0.00 WT2 H ATOM 34989 H2 TIP3 8471 44.514 66.129 -13.225 1.00 0.00 WT2 H ATOM 34990 OH2 TIP3 8486 67.957 19.201 -2.853 1.00 0.00 WT2 O ATOM 34991 H1 TIP3 8486 67.721 19.638 -2.034 1.00 0.00 WT2 H ATOM 34992 H2 TIP3 8486 67.688 18.291 -2.726 1.00 0.00 WT2 H ATOM 34993 OH2 TIP3 8487 50.252 14.944 -1.811 1.00 0.00 WT2 O ATOM 34994 H1 TIP3 8487 50.567 14.150 -1.379 1.00 0.00 WT2 H ATOM 34995 H2 TIP3 8487 50.254 15.609 -1.122 1.00 0.00 WT2 H ATOM 34996 OH2 TIP3 8488 49.814 52.557 45.006 1.00 0.00 WT2 O ATOM 34997 H1 TIP3 8488 50.003 51.926 44.312 1.00 0.00 WT2 H ATOM 34998 H2 TIP3 8488 50.021 53.408 44.620 1.00 0.00 WT2 H ATOM 34999 OH2 TIP3 8489 84.791 3.601 -2.817 1.00 0.00 WT2 O ATOM 35000 H1 TIP3 8489 85.447 3.396 -2.150 1.00 0.00 WT2 H ATOM 35001 H2 TIP3 8489 84.324 4.360 -2.468 1.00 0.00 WT2 H ATOM 35002 OH2 TIP3 8490 65.265 94.499 -9.398 1.00 0.00 WT2 O ATOM 35003 H1 TIP3 8490 64.913 94.533 -10.287 1.00 0.00 WT2 H ATOM 35004 H2 TIP3 8490 66.087 94.016 -9.483 1.00 0.00 WT2 H ATOM 35005 OH2 TIP3 8493 70.022 56.898 -6.704 1.00 0.00 WT2 O ATOM 35006 H1 TIP3 8493 70.598 57.373 -7.303 1.00 0.00 WT2 H ATOM 35007 H2 TIP3 8493 70.554 56.755 -5.922 1.00 0.00 WT2 H ATOM 35008 OH2 TIP3 8504 88.177 58.838 -5.245 1.00 0.00 WT2 O ATOM 35009 H1 TIP3 8504 88.962 58.501 -4.814 1.00 0.00 WT2 H ATOM 35010 H2 TIP3 8504 87.456 58.567 -4.678 1.00 0.00 WT2 H ATOM 35011 OH2 TIP3 8505 50.969 45.922 -5.849 1.00 0.00 WT2 O ATOM 35012 H1 TIP3 8505 50.316 46.592 -6.051 1.00 0.00 WT2 H ATOM 35013 H2 TIP3 8505 51.522 46.321 -5.177 1.00 0.00 WT2 H ATOM 35014 OH2 TIP3 8506 54.586 47.978 1.485 1.00 0.00 WT2 O ATOM 35015 H1 TIP3 8506 55.488 48.188 1.728 1.00 0.00 WT2 H ATOM 35016 H2 TIP3 8506 54.384 47.182 1.976 1.00 0.00 WT2 H ATOM 35017 OH2 TIP3 8507 41.940 39.608 65.655 1.00 0.00 WT2 O ATOM 35018 H1 TIP3 8507 41.636 40.477 65.916 1.00 0.00 WT2 H ATOM 35019 H2 TIP3 8507 41.630 39.505 64.755 1.00 0.00 WT2 H ATOM 35020 OH2 TIP3 8508 41.306 38.431 39.456 1.00 0.00 WT2 O ATOM 35021 H1 TIP3 8508 41.507 37.505 39.322 1.00 0.00 WT2 H ATOM 35022 H2 TIP3 8508 42.011 38.897 39.005 1.00 0.00 WT2 H ATOM 35023 OH2 TIP3 8509 31.108 82.974 38.937 1.00 0.00 WT2 O ATOM 35024 H1 TIP3 8509 32.022 83.254 38.886 1.00 0.00 WT2 H ATOM 35025 H2 TIP3 8509 30.751 83.455 39.683 1.00 0.00 WT2 H ATOM 35026 OH2 TIP3 8513 53.714 11.875 -11.297 1.00 0.00 WT2 O ATOM 35027 H1 TIP3 8513 53.543 12.569 -10.660 1.00 0.00 WT2 H ATOM 35028 H2 TIP3 8513 52.928 11.849 -11.841 1.00 0.00 WT2 H ATOM 35029 OH2 TIP3 8515 51.945 0.082 40.889 1.00 0.00 WT2 O ATOM 35030 H1 TIP3 8515 52.280 -0.534 40.238 1.00 0.00 WT2 H ATOM 35031 H2 TIP3 8515 51.561 0.791 40.373 1.00 0.00 WT2 H ATOM 35032 OH2 TIP3 8516 54.175 9.253 -13.889 1.00 0.00 WT2 O ATOM 35033 H1 TIP3 8516 54.992 8.773 -13.751 1.00 0.00 WT2 H ATOM 35034 H2 TIP3 8516 54.390 9.903 -14.558 1.00 0.00 WT2 H ATOM 35035 OH2 TIP3 8528 76.910 38.401 23.353 1.00 0.00 WT2 O ATOM 35036 H1 TIP3 8528 76.289 37.703 23.149 1.00 0.00 WT2 H ATOM 35037 H2 TIP3 8528 76.639 38.720 24.214 1.00 0.00 WT2 H ATOM 35038 OH2 TIP3 8529 79.975 39.111 56.787 1.00 0.00 WT2 O ATOM 35039 H1 TIP3 8529 80.840 39.451 56.556 1.00 0.00 WT2 H ATOM 35040 H2 TIP3 8529 79.718 38.577 56.036 1.00 0.00 WT2 H ATOM 35041 OH2 TIP3 8530 77.824 71.441 0.356 1.00 0.00 WT2 O ATOM 35042 H1 TIP3 8530 78.580 70.983 0.724 1.00 0.00 WT2 H ATOM 35043 H2 TIP3 8530 77.358 71.785 1.118 1.00 0.00 WT2 H ATOM 35044 OH2 TIP3 8531 35.337 54.540 -11.977 1.00 0.00 WT2 O ATOM 35045 H1 TIP3 8531 36.038 54.300 -11.372 1.00 0.00 WT2 H ATOM 35046 H2 TIP3 8531 34.866 53.722 -12.136 1.00 0.00 WT2 H ATOM 35047 OH2 TIP3 8532 76.979 44.428 -13.244 1.00 0.00 WT2 O ATOM 35048 H1 TIP3 8532 76.923 44.691 -12.325 1.00 0.00 WT2 H ATOM 35049 H2 TIP3 8532 77.402 43.569 -13.221 1.00 0.00 WT2 H ATOM 35050 OH2 TIP3 8533 58.304 23.117 24.242 1.00 0.00 WT2 O ATOM 35051 H1 TIP3 8533 57.971 23.191 23.347 1.00 0.00 WT2 H ATOM 35052 H2 TIP3 8533 58.617 23.997 24.455 1.00 0.00 WT2 H ATOM 35053 OH2 TIP3 8534 22.094 87.440 57.489 1.00 0.00 WT2 O ATOM 35054 H1 TIP3 8534 22.273 86.997 58.318 1.00 0.00 WT2 H ATOM 35055 H2 TIP3 8534 21.756 88.298 57.744 1.00 0.00 WT2 H ATOM 35056 OH2 TIP3 8535 73.661 55.850 60.077 1.00 0.00 WT2 O ATOM 35057 H1 TIP3 8535 73.307 55.153 59.525 1.00 0.00 WT2 H ATOM 35058 H2 TIP3 8535 72.917 56.137 60.607 1.00 0.00 WT2 H ATOM 35059 OH2 TIP3 8536 72.307 82.739 5.986 1.00 0.00 WT2 O ATOM 35060 H1 TIP3 8536 71.500 83.157 6.284 1.00 0.00 WT2 H ATOM 35061 H2 TIP3 8536 72.453 82.026 6.608 1.00 0.00 WT2 H ATOM 35062 OH2 TIP3 8539 68.438 58.047 -18.786 1.00 0.00 WT2 O ATOM 35063 H1 TIP3 8539 68.194 57.380 -19.427 1.00 0.00 WT2 H ATOM 35064 H2 TIP3 8539 69.136 58.545 -19.212 1.00 0.00 WT2 H ATOM 35065 OH2 TIP3 8543 60.976 42.911 55.071 1.00 0.00 WT2 O ATOM 35066 H1 TIP3 8543 60.218 42.413 55.377 1.00 0.00 WT2 H ATOM 35067 H2 TIP3 8543 61.023 43.664 55.660 1.00 0.00 WT2 H ATOM 35068 OH2 TIP3 8548 21.594 10.837 41.664 1.00 0.00 WT2 O ATOM 35069 H1 TIP3 8548 22.515 10.581 41.616 1.00 0.00 WT2 H ATOM 35070 H2 TIP3 8548 21.281 10.776 40.761 1.00 0.00 WT2 H ATOM 35071 OH2 TIP3 8549 50.710 14.716 42.039 1.00 0.00 WT2 O ATOM 35072 H1 TIP3 8549 50.222 15.528 41.903 1.00 0.00 WT2 H ATOM 35073 H2 TIP3 8549 50.084 14.127 42.461 1.00 0.00 WT2 H ATOM 35074 OH2 TIP3 8550 42.066 80.099 25.281 1.00 0.00 WT2 O ATOM 35075 H1 TIP3 8550 42.494 79.251 25.157 1.00 0.00 WT2 H ATOM 35076 H2 TIP3 8550 42.628 80.563 25.901 1.00 0.00 WT2 H ATOM 35077 OH2 TIP3 8551 34.499 0.854 41.085 1.00 0.00 WT2 O ATOM 35078 H1 TIP3 8551 33.805 0.501 40.527 1.00 0.00 WT2 H ATOM 35079 H2 TIP3 8551 35.159 1.175 40.471 1.00 0.00 WT2 H ATOM 35080 OH2 TIP3 8553 32.275 4.438 57.128 1.00 0.00 WT2 O ATOM 35081 H1 TIP3 8553 32.488 3.777 57.786 1.00 0.00 WT2 H ATOM 35082 H2 TIP3 8553 32.257 5.263 57.613 1.00 0.00 WT2 H ATOM 35083 OH2 TIP3 8554 67.679 35.211 60.736 1.00 0.00 WT2 O ATOM 35084 H1 TIP3 8554 67.058 35.766 61.208 1.00 0.00 WT2 H ATOM 35085 H2 TIP3 8554 68.125 35.808 60.135 1.00 0.00 WT2 H ATOM 35086 OH2 TIP3 8556 36.767 26.079 34.729 1.00 0.00 WT2 O ATOM 35087 H1 TIP3 8556 35.977 26.179 34.198 1.00 0.00 WT2 H ATOM 35088 H2 TIP3 8556 36.984 26.970 35.005 1.00 0.00 WT2 H ATOM 35089 OH2 TIP3 8558 73.096 50.941 65.821 1.00 0.00 WT2 O ATOM 35090 H1 TIP3 8558 73.138 51.684 66.423 1.00 0.00 WT2 H ATOM 35091 H2 TIP3 8558 73.238 51.325 64.956 1.00 0.00 WT2 H ATOM 35092 OH2 TIP3 8571 90.593 62.106 -11.986 1.00 0.00 WT2 O ATOM 35093 H1 TIP3 8571 91.272 61.977 -12.648 1.00 0.00 WT2 H ATOM 35094 H2 TIP3 8571 90.273 62.995 -12.142 1.00 0.00 WT2 H ATOM 35095 OH2 TIP3 8572 80.793 23.265 12.559 1.00 0.00 WT2 O ATOM 35096 H1 TIP3 8572 81.366 23.118 13.312 1.00 0.00 WT2 H ATOM 35097 H2 TIP3 8572 80.818 24.211 12.419 1.00 0.00 WT2 H ATOM 35098 OH2 TIP3 8573 48.787 24.918 31.816 1.00 0.00 WT2 O ATOM 35099 H1 TIP3 8573 49.714 25.021 31.600 1.00 0.00 WT2 H ATOM 35100 H2 TIP3 8573 48.324 25.188 31.022 1.00 0.00 WT2 H ATOM 35101 OH2 TIP3 8574 52.284 25.022 38.316 1.00 0.00 WT2 O ATOM 35102 H1 TIP3 8574 51.734 24.945 39.096 1.00 0.00 WT2 H ATOM 35103 H2 TIP3 8574 51.703 25.386 37.648 1.00 0.00 WT2 H ATOM 35104 OH2 TIP3 8576 25.251 60.918 24.740 1.00 0.00 WT2 O ATOM 35105 H1 TIP3 8576 24.681 60.289 24.296 1.00 0.00 WT2 H ATOM 35106 H2 TIP3 8576 24.663 61.620 25.019 1.00 0.00 WT2 H ATOM 35107 OH2 TIP3 8589 52.437 51.705 -19.813 1.00 0.00 WT2 O ATOM 35108 H1 TIP3 8589 52.207 51.209 -20.599 1.00 0.00 WT2 H ATOM 35109 H2 TIP3 8589 52.147 51.152 -19.087 1.00 0.00 WT2 H ATOM 35110 OH2 TIP3 8590 77.534 89.097 35.777 1.00 0.00 WT2 O ATOM 35111 H1 TIP3 8590 77.399 89.942 35.347 1.00 0.00 WT2 H ATOM 35112 H2 TIP3 8590 76.703 88.914 36.215 1.00 0.00 WT2 H ATOM 35113 OH2 TIP3 8592 72.187 68.728 46.363 1.00 0.00 WT2 O ATOM 35114 H1 TIP3 8592 72.749 68.796 47.134 1.00 0.00 WT2 H ATOM 35115 H2 TIP3 8592 72.730 68.290 45.708 1.00 0.00 WT2 H ATOM 35116 OH2 TIP3 8593 86.316 36.665 39.041 1.00 0.00 WT2 O ATOM 35117 H1 TIP3 8593 86.680 36.136 39.751 1.00 0.00 WT2 H ATOM 35118 H2 TIP3 8593 87.073 36.892 38.499 1.00 0.00 WT2 H ATOM 35119 OH2 TIP3 8594 68.220 7.290 17.326 1.00 0.00 WT2 O ATOM 35120 H1 TIP3 8594 67.818 7.355 16.460 1.00 0.00 WT2 H ATOM 35121 H2 TIP3 8594 67.523 6.956 17.890 1.00 0.00 WT2 H ATOM 35122 OH2 TIP3 8611 30.614 12.774 24.098 1.00 0.00 WT2 O ATOM 35123 H1 TIP3 8611 30.242 13.580 24.457 1.00 0.00 WT2 H ATOM 35124 H2 TIP3 8611 31.475 13.033 23.769 1.00 0.00 WT2 H ATOM 35125 OH2 TIP3 8613 76.352 87.917 5.579 1.00 0.00 WT2 O ATOM 35126 H1 TIP3 8613 77.103 88.313 5.137 1.00 0.00 WT2 H ATOM 35127 H2 TIP3 8613 75.610 88.469 5.334 1.00 0.00 WT2 H ATOM 35128 OH2 TIP3 8616 71.167 65.357 -0.160 1.00 0.00 WT2 O ATOM 35129 H1 TIP3 8616 70.692 65.716 0.590 1.00 0.00 WT2 H ATOM 35130 H2 TIP3 8616 70.675 64.573 -0.402 1.00 0.00 WT2 H ATOM 35131 OH2 TIP3 8617 74.076 45.162 56.708 1.00 0.00 WT2 O ATOM 35132 H1 TIP3 8617 74.439 44.579 56.041 1.00 0.00 WT2 H ATOM 35133 H2 TIP3 8617 73.144 45.216 56.497 1.00 0.00 WT2 H ATOM 35134 OH2 TIP3 8618 81.093 15.703 60.438 1.00 0.00 WT2 O ATOM 35135 H1 TIP3 8618 81.299 14.769 60.472 1.00 0.00 WT2 H ATOM 35136 H2 TIP3 8618 81.925 16.125 60.222 1.00 0.00 WT2 H ATOM 35137 OH2 TIP3 8619 88.834 30.128 44.189 1.00 0.00 WT2 O ATOM 35138 H1 TIP3 8619 88.318 29.572 44.774 1.00 0.00 WT2 H ATOM 35139 H2 TIP3 8619 89.400 29.519 43.715 1.00 0.00 WT2 H ATOM 35140 OH2 TIP3 8631 84.507 44.450 52.045 1.00 0.00 WT2 O ATOM 35141 H1 TIP3 8631 83.699 44.821 51.691 1.00 0.00 WT2 H ATOM 35142 H2 TIP3 8631 85.065 44.313 51.280 1.00 0.00 WT2 H ATOM 35143 OH2 TIP3 8632 69.121 43.043 45.000 1.00 0.00 WT2 O ATOM 35144 H1 TIP3 8632 69.441 43.877 45.342 1.00 0.00 WT2 H ATOM 35145 H2 TIP3 8632 68.215 43.219 44.745 1.00 0.00 WT2 H ATOM 35146 OH2 TIP3 8633 51.642 17.561 59.196 1.00 0.00 WT2 O ATOM 35147 H1 TIP3 8633 52.229 18.132 58.700 1.00 0.00 WT2 H ATOM 35148 H2 TIP3 8633 50.906 18.124 59.436 1.00 0.00 WT2 H ATOM 35149 OH2 TIP3 8634 80.266 19.026 42.246 1.00 0.00 WT2 O ATOM 35150 H1 TIP3 8634 81.118 18.590 42.264 1.00 0.00 WT2 H ATOM 35151 H2 TIP3 8634 79.645 18.350 42.517 1.00 0.00 WT2 H ATOM 35152 OH2 TIP3 8636 61.482 51.097 54.548 1.00 0.00 WT2 O ATOM 35153 H1 TIP3 8636 60.981 50.359 54.200 1.00 0.00 WT2 H ATOM 35154 H2 TIP3 8636 60.828 51.780 54.700 1.00 0.00 WT2 H ATOM 35155 OH2 TIP3 8638 26.919 30.466 53.721 1.00 0.00 WT2 O ATOM 35156 H1 TIP3 8638 27.222 30.253 54.604 1.00 0.00 WT2 H ATOM 35157 H2 TIP3 8638 27.191 31.374 53.587 1.00 0.00 WT2 H ATOM 35158 OH2 TIP3 8640 67.475 23.653 40.298 1.00 0.00 WT2 O ATOM 35159 H1 TIP3 8640 67.877 23.662 41.167 1.00 0.00 WT2 H ATOM 35160 H2 TIP3 8640 67.678 22.786 39.948 1.00 0.00 WT2 H ATOM 35161 OH2 TIP3 8653 25.705 36.406 19.193 1.00 0.00 WT2 O ATOM 35162 H1 TIP3 8653 25.817 36.962 19.965 1.00 0.00 WT2 H ATOM 35163 H2 TIP3 8653 25.789 37.006 18.452 1.00 0.00 WT2 H ATOM 35164 OH2 TIP3 8654 72.380 57.350 -8.027 1.00 0.00 WT2 O ATOM 35165 H1 TIP3 8654 71.826 57.070 -8.756 1.00 0.00 WT2 H ATOM 35166 H2 TIP3 8654 73.191 56.855 -8.139 1.00 0.00 WT2 H ATOM 35167 OH2 TIP3 8655 87.032 71.207 34.006 1.00 0.00 WT2 O ATOM 35168 H1 TIP3 8655 87.709 71.860 33.828 1.00 0.00 WT2 H ATOM 35169 H2 TIP3 8655 86.225 71.605 33.681 1.00 0.00 WT2 H ATOM 35170 OH2 TIP3 8656 87.119 12.506 -14.710 1.00 0.00 WT2 O ATOM 35171 H1 TIP3 8656 86.438 12.134 -14.150 1.00 0.00 WT2 H ATOM 35172 H2 TIP3 8656 87.387 13.309 -14.263 1.00 0.00 WT2 H ATOM 35173 OH2 TIP3 8657 31.180 40.420 38.087 1.00 0.00 WT2 O ATOM 35174 H1 TIP3 8657 30.505 41.095 38.152 1.00 0.00 WT2 H ATOM 35175 H2 TIP3 8657 30.694 39.606 37.954 1.00 0.00 WT2 H ATOM 35176 OH2 TIP3 8659 34.456 49.806 67.033 1.00 0.00 WT2 O ATOM 35177 H1 TIP3 8659 34.762 48.960 66.706 1.00 0.00 WT2 H ATOM 35178 H2 TIP3 8659 34.311 49.663 67.969 1.00 0.00 WT2 H ATOM 35179 OH2 TIP3 8660 58.149 61.176 45.183 1.00 0.00 WT2 O ATOM 35180 H1 TIP3 8660 57.477 60.929 44.547 1.00 0.00 WT2 H ATOM 35181 H2 TIP3 8660 58.388 60.354 45.610 1.00 0.00 WT2 H ATOM 35182 OH2 TIP3 8662 88.491 51.082 -2.605 1.00 0.00 WT2 O ATOM 35183 H1 TIP3 8662 88.280 51.554 -3.411 1.00 0.00 WT2 H ATOM 35184 H2 TIP3 8662 87.646 50.768 -2.282 1.00 0.00 WT2 H ATOM 35185 OH2 TIP3 8675 66.540 58.244 49.906 1.00 0.00 WT2 O ATOM 35186 H1 TIP3 8675 65.613 58.484 49.923 1.00 0.00 WT2 H ATOM 35187 H2 TIP3 8675 66.562 57.407 49.442 1.00 0.00 WT2 H ATOM 35188 OH2 TIP3 8676 70.443 87.078 -12.390 1.00 0.00 WT2 O ATOM 35189 H1 TIP3 8676 70.472 86.155 -12.137 1.00 0.00 WT2 H ATOM 35190 H2 TIP3 8676 69.904 87.494 -11.718 1.00 0.00 WT2 H ATOM 35191 OH2 TIP3 8677 32.239 61.165 -17.146 1.00 0.00 WT2 O ATOM 35192 H1 TIP3 8677 31.974 62.072 -17.297 1.00 0.00 WT2 H ATOM 35193 H2 TIP3 8677 33.104 61.098 -17.550 1.00 0.00 WT2 H ATOM 35194 OH2 TIP3 8678 49.022 37.018 -18.411 1.00 0.00 WT2 O ATOM 35195 H1 TIP3 8678 49.811 36.669 -17.996 1.00 0.00 WT2 H ATOM 35196 H2 TIP3 8678 49.115 36.785 -19.335 1.00 0.00 WT2 H ATOM 35197 OH2 TIP3 8679 21.551 47.010 41.744 1.00 0.00 WT2 O ATOM 35198 H1 TIP3 8679 21.280 46.939 42.660 1.00 0.00 WT2 H ATOM 35199 H2 TIP3 8679 21.304 47.899 41.490 1.00 0.00 WT2 H ATOM 35200 OH2 TIP3 8681 37.195 94.865 -5.775 1.00 0.00 WT2 O ATOM 35201 H1 TIP3 8681 36.584 95.272 -5.161 1.00 0.00 WT2 H ATOM 35202 H2 TIP3 8681 38.021 95.327 -5.634 1.00 0.00 WT2 H ATOM 35203 OH2 TIP3 8682 40.691 32.352 -3.005 1.00 0.00 WT2 O ATOM 35204 H1 TIP3 8682 40.127 32.963 -3.481 1.00 0.00 WT2 H ATOM 35205 H2 TIP3 8682 40.688 31.558 -3.539 1.00 0.00 WT2 H ATOM 35206 OH2 TIP3 8683 25.545 10.749 43.114 1.00 0.00 WT2 O ATOM 35207 H1 TIP3 8683 26.486 10.576 43.109 1.00 0.00 WT2 H ATOM 35208 H2 TIP3 8683 25.259 10.550 42.223 1.00 0.00 WT2 H ATOM 35209 OH2 TIP3 8684 80.559 28.337 58.801 1.00 0.00 WT2 O ATOM 35210 H1 TIP3 8684 81.018 29.002 58.288 1.00 0.00 WT2 H ATOM 35211 H2 TIP3 8684 80.848 27.504 58.429 1.00 0.00 WT2 H ATOM 35212 OH2 TIP3 8691 67.175 1.309 -4.578 1.00 0.00 WT2 O ATOM 35213 H1 TIP3 8691 66.352 1.296 -5.066 1.00 0.00 WT2 H ATOM 35214 H2 TIP3 8691 67.836 1.544 -5.230 1.00 0.00 WT2 H ATOM 35215 OH2 TIP3 8694 26.078 80.439 6.080 1.00 0.00 WT2 O ATOM 35216 H1 TIP3 8694 26.286 80.851 5.242 1.00 0.00 WT2 H ATOM 35217 H2 TIP3 8694 26.630 79.658 6.107 1.00 0.00 WT2 H ATOM 35218 OH2 TIP3 8695 71.616 39.939 21.308 1.00 0.00 WT2 O ATOM 35219 H1 TIP3 8695 71.144 40.405 21.998 1.00 0.00 WT2 H ATOM 35220 H2 TIP3 8695 70.946 39.732 20.657 1.00 0.00 WT2 H ATOM 35221 OH2 TIP3 8696 28.618 52.377 42.707 1.00 0.00 WT2 O ATOM 35222 H1 TIP3 8696 29.379 52.803 42.313 1.00 0.00 WT2 H ATOM 35223 H2 TIP3 8696 28.649 51.478 42.379 1.00 0.00 WT2 H ATOM 35224 OH2 TIP3 8697 71.323 0.953 52.137 1.00 0.00 WT2 O ATOM 35225 H1 TIP3 8697 70.507 1.285 51.763 1.00 0.00 WT2 H ATOM 35226 H2 TIP3 8697 72.007 1.487 51.732 1.00 0.00 WT2 H ATOM 35227 OH2 TIP3 8699 36.837 66.625 8.167 1.00 0.00 WT2 O ATOM 35228 H1 TIP3 8699 37.694 66.810 8.552 1.00 0.00 WT2 H ATOM 35229 H2 TIP3 8699 36.804 65.670 8.103 1.00 0.00 WT2 H ATOM 35230 OH2 TIP3 8700 46.653 8.280 43.052 1.00 0.00 WT2 O ATOM 35231 H1 TIP3 8700 45.939 8.918 43.025 1.00 0.00 WT2 H ATOM 35232 H2 TIP3 8700 47.449 8.809 43.011 1.00 0.00 WT2 H ATOM 35233 OH2 TIP3 8702 76.195 40.587 65.635 1.00 0.00 WT2 O ATOM 35234 H1 TIP3 8702 76.330 40.960 64.765 1.00 0.00 WT2 H ATOM 35235 H2 TIP3 8702 75.265 40.361 65.658 1.00 0.00 WT2 H ATOM 35236 OH2 TIP3 8704 54.137 92.245 57.356 1.00 0.00 WT2 O ATOM 35237 H1 TIP3 8704 54.689 92.751 56.759 1.00 0.00 WT2 H ATOM 35238 H2 TIP3 8704 53.245 92.524 57.153 1.00 0.00 WT2 H ATOM 35239 OH2 TIP3 8715 37.588 27.659 22.038 1.00 0.00 WT2 O ATOM 35240 H1 TIP3 8715 36.995 28.002 21.369 1.00 0.00 WT2 H ATOM 35241 H2 TIP3 8715 37.225 26.802 22.263 1.00 0.00 WT2 H ATOM 35242 OH2 TIP3 8716 63.441 43.240 -5.210 1.00 0.00 WT2 O ATOM 35243 H1 TIP3 8716 63.641 44.104 -4.849 1.00 0.00 WT2 H ATOM 35244 H2 TIP3 8716 62.518 43.291 -5.457 1.00 0.00 WT2 H ATOM 35245 OH2 TIP3 8717 57.634 78.982 43.271 1.00 0.00 WT2 O ATOM 35246 H1 TIP3 8717 57.386 78.337 42.609 1.00 0.00 WT2 H ATOM 35247 H2 TIP3 8717 58.083 78.474 43.946 1.00 0.00 WT2 H ATOM 35248 OH2 TIP3 8718 67.967 52.499 31.193 1.00 0.00 WT2 O ATOM 35249 H1 TIP3 8718 67.166 53.022 31.162 1.00 0.00 WT2 H ATOM 35250 H2 TIP3 8718 67.663 51.605 31.348 1.00 0.00 WT2 H ATOM 35251 OH2 TIP3 8720 66.681 55.906 21.004 1.00 0.00 WT2 O ATOM 35252 H1 TIP3 8720 66.190 55.156 20.667 1.00 0.00 WT2 H ATOM 35253 H2 TIP3 8720 66.471 56.620 20.402 1.00 0.00 WT2 H ATOM 35254 OH2 TIP3 8721 68.485 2.790 47.740 1.00 0.00 WT2 O ATOM 35255 H1 TIP3 8721 68.020 2.092 48.201 1.00 0.00 WT2 H ATOM 35256 H2 TIP3 8721 68.808 3.363 48.435 1.00 0.00 WT2 H ATOM 35257 OH2 TIP3 8722 27.283 37.844 20.758 1.00 0.00 WT2 O ATOM 35258 H1 TIP3 8722 27.823 38.088 21.510 1.00 0.00 WT2 H ATOM 35259 H2 TIP3 8722 26.627 38.539 20.698 1.00 0.00 WT2 H ATOM 35260 OH2 TIP3 8737 63.043 88.575 52.176 1.00 0.00 WT2 O ATOM 35261 H1 TIP3 8737 62.521 88.676 51.380 1.00 0.00 WT2 H ATOM 35262 H2 TIP3 8737 63.526 87.760 52.045 1.00 0.00 WT2 H ATOM 35263 OH2 TIP3 8739 48.295 36.365 -14.351 1.00 0.00 WT2 O ATOM 35264 H1 TIP3 8739 47.982 35.931 -15.144 1.00 0.00 WT2 H ATOM 35265 H2 TIP3 8739 47.839 35.918 -13.637 1.00 0.00 WT2 H ATOM 35266 OH2 TIP3 8740 85.359 65.549 67.252 1.00 0.00 WT2 O ATOM 35267 H1 TIP3 8740 84.598 65.244 67.746 1.00 0.00 WT2 H ATOM 35268 H2 TIP3 8740 85.035 65.665 66.359 1.00 0.00 WT2 H ATOM 35269 OH2 TIP3 8741 79.354 56.189 25.666 1.00 0.00 WT2 O ATOM 35270 H1 TIP3 8741 78.988 57.037 25.415 1.00 0.00 WT2 H ATOM 35271 H2 TIP3 8741 78.724 55.548 25.334 1.00 0.00 WT2 H ATOM 35272 OH2 TIP3 8742 70.530 20.445 38.805 1.00 0.00 WT2 O ATOM 35273 H1 TIP3 8742 69.835 20.894 38.323 1.00 0.00 WT2 H ATOM 35274 H2 TIP3 8742 71.155 20.177 38.131 1.00 0.00 WT2 H ATOM 35275 OH2 TIP3 8743 23.235 3.080 31.610 1.00 0.00 WT2 O ATOM 35276 H1 TIP3 8743 22.513 3.707 31.649 1.00 0.00 WT2 H ATOM 35277 H2 TIP3 8743 23.134 2.548 32.399 1.00 0.00 WT2 H ATOM 35278 OH2 TIP3 8744 50.722 33.798 56.552 1.00 0.00 WT2 O ATOM 35279 H1 TIP3 8744 50.446 33.756 55.636 1.00 0.00 WT2 H ATOM 35280 H2 TIP3 8744 51.532 33.289 56.582 1.00 0.00 WT2 H ATOM 35281 OH2 TIP3 8746 45.195 36.133 21.094 1.00 0.00 WT2 O ATOM 35282 H1 TIP3 8746 45.983 35.792 20.670 1.00 0.00 WT2 H ATOM 35283 H2 TIP3 8746 45.510 36.518 21.912 1.00 0.00 WT2 H ATOM 35284 OH2 TIP3 8754 42.432 58.642 47.334 1.00 0.00 WT2 O ATOM 35285 H1 TIP3 8754 42.693 58.118 46.577 1.00 0.00 WT2 H ATOM 35286 H2 TIP3 8754 42.556 59.549 47.053 1.00 0.00 WT2 H ATOM 35287 OH2 TIP3 8757 65.294 48.012 34.555 1.00 0.00 WT2 O ATOM 35288 H1 TIP3 8757 64.603 47.381 34.350 1.00 0.00 WT2 H ATOM 35289 H2 TIP3 8757 65.561 48.359 33.704 1.00 0.00 WT2 H ATOM 35290 OH2 TIP3 8759 26.154 46.636 -16.620 1.00 0.00 WT2 O ATOM 35291 H1 TIP3 8759 27.049 46.311 -16.517 1.00 0.00 WT2 H ATOM 35292 H2 TIP3 8759 26.189 47.539 -16.304 1.00 0.00 WT2 H ATOM 35293 OH2 TIP3 8760 81.848 9.422 -1.225 1.00 0.00 WT2 O ATOM 35294 H1 TIP3 8760 82.177 9.310 -2.116 1.00 0.00 WT2 H ATOM 35295 H2 TIP3 8760 82.614 9.287 -0.667 1.00 0.00 WT2 H ATOM 35296 OH2 TIP3 8761 35.798 47.474 -18.302 1.00 0.00 WT2 O ATOM 35297 H1 TIP3 8761 36.078 46.637 -18.674 1.00 0.00 WT2 H ATOM 35298 H2 TIP3 8761 35.550 47.265 -17.402 1.00 0.00 WT2 H ATOM 35299 OH2 TIP3 8763 72.655 52.990 -19.612 1.00 0.00 WT2 O ATOM 35300 H1 TIP3 8763 72.220 53.841 -19.551 1.00 0.00 WT2 H ATOM 35301 H2 TIP3 8763 72.148 52.420 -19.033 1.00 0.00 WT2 H ATOM 35302 OH2 TIP3 8764 53.607 63.899 -11.885 1.00 0.00 WT2 O ATOM 35303 H1 TIP3 8764 53.916 64.582 -11.290 1.00 0.00 WT2 H ATOM 35304 H2 TIP3 8764 52.960 63.412 -11.375 1.00 0.00 WT2 H ATOM 35305 OH2 TIP3 8767 24.805 93.074 27.808 1.00 0.00 WT2 O ATOM 35306 H1 TIP3 8767 23.985 93.369 27.412 1.00 0.00 WT2 H ATOM 35307 H2 TIP3 8767 24.774 92.120 27.742 1.00 0.00 WT2 H ATOM 35308 OH2 TIP3 8777 71.724 71.322 57.445 1.00 0.00 WT2 O ATOM 35309 H1 TIP3 8777 70.956 71.049 57.946 1.00 0.00 WT2 H ATOM 35310 H2 TIP3 8777 71.421 72.067 56.926 1.00 0.00 WT2 H ATOM 35311 OH2 TIP3 8778 50.808 91.031 24.791 1.00 0.00 WT2 O ATOM 35312 H1 TIP3 8778 51.068 90.411 25.473 1.00 0.00 WT2 H ATOM 35313 H2 TIP3 8778 50.626 91.844 25.262 1.00 0.00 WT2 H ATOM 35314 OH2 TIP3 8780 82.047 93.015 64.529 1.00 0.00 WT2 O ATOM 35315 H1 TIP3 8780 82.380 92.402 63.872 1.00 0.00 WT2 H ATOM 35316 H2 TIP3 8780 81.102 92.864 64.541 1.00 0.00 WT2 H ATOM 35317 OH2 TIP3 8783 33.262 31.414 -12.709 1.00 0.00 WT2 O ATOM 35318 H1 TIP3 8783 33.936 32.036 -12.983 1.00 0.00 WT2 H ATOM 35319 H2 TIP3 8783 33.268 31.460 -11.753 1.00 0.00 WT2 H ATOM 35320 OH2 TIP3 8785 82.728 24.492 46.018 1.00 0.00 WT2 O ATOM 35321 H1 TIP3 8785 82.621 25.443 46.045 1.00 0.00 WT2 H ATOM 35322 H2 TIP3 8785 83.666 24.352 46.145 1.00 0.00 WT2 H ATOM 35323 OH2 TIP3 8786 84.525 76.671 57.111 1.00 0.00 WT2 O ATOM 35324 H1 TIP3 8786 84.043 77.100 57.818 1.00 0.00 WT2 H ATOM 35325 H2 TIP3 8786 84.073 76.944 56.312 1.00 0.00 WT2 H ATOM 35326 OH2 TIP3 8787 48.752 6.063 2.853 1.00 0.00 WT2 O ATOM 35327 H1 TIP3 8787 49.588 5.824 2.452 1.00 0.00 WT2 H ATOM 35328 H2 TIP3 8787 48.142 5.388 2.555 1.00 0.00 WT2 H ATOM 35329 OH2 TIP3 8790 51.661 37.552 -1.134 1.00 0.00 WT2 O ATOM 35330 H1 TIP3 8790 50.840 37.918 -0.806 1.00 0.00 WT2 H ATOM 35331 H2 TIP3 8790 51.553 36.605 -1.049 1.00 0.00 WT2 H ATOM 35332 OH2 TIP3 8797 26.021 56.744 -8.924 1.00 0.00 WT2 O ATOM 35333 H1 TIP3 8797 26.961 56.921 -8.886 1.00 0.00 WT2 H ATOM 35334 H2 TIP3 8797 25.622 57.458 -8.427 1.00 0.00 WT2 H ATOM 35335 OH2 TIP3 8800 43.958 82.020 -16.964 1.00 0.00 WT2 O ATOM 35336 H1 TIP3 8800 44.416 82.247 -16.154 1.00 0.00 WT2 H ATOM 35337 H2 TIP3 8800 43.123 81.655 -16.673 1.00 0.00 WT2 H ATOM 35338 OH2 TIP3 8801 33.248 17.161 51.337 1.00 0.00 WT2 O ATOM 35339 H1 TIP3 8801 34.177 17.138 51.567 1.00 0.00 WT2 H ATOM 35340 H2 TIP3 8801 32.877 16.386 51.758 1.00 0.00 WT2 H ATOM 35341 OH2 TIP3 8802 85.407 58.343 65.468 1.00 0.00 WT2 O ATOM 35342 H1 TIP3 8802 85.707 57.434 65.446 1.00 0.00 WT2 H ATOM 35343 H2 TIP3 8802 84.467 58.289 65.294 1.00 0.00 WT2 H ATOM 35344 OH2 TIP3 8803 71.507 5.715 29.409 1.00 0.00 WT2 O ATOM 35345 H1 TIP3 8803 71.278 6.626 29.225 1.00 0.00 WT2 H ATOM 35346 H2 TIP3 8803 71.093 5.530 30.252 1.00 0.00 WT2 H ATOM 35347 OH2 TIP3 8804 61.770 76.452 65.095 1.00 0.00 WT2 O ATOM 35348 H1 TIP3 8804 60.915 76.023 65.068 1.00 0.00 WT2 H ATOM 35349 H2 TIP3 8804 62.159 76.162 65.920 1.00 0.00 WT2 H ATOM 35350 OH2 TIP3 8806 29.003 29.554 47.312 1.00 0.00 WT2 O ATOM 35351 H1 TIP3 8806 28.692 30.193 46.670 1.00 0.00 WT2 H ATOM 35352 H2 TIP3 8806 28.951 28.713 46.858 1.00 0.00 WT2 H ATOM 35353 OH2 TIP3 8808 41.235 73.364 -11.723 1.00 0.00 WT2 O ATOM 35354 H1 TIP3 8808 41.004 73.701 -10.857 1.00 0.00 WT2 H ATOM 35355 H2 TIP3 8808 41.519 72.464 -11.562 1.00 0.00 WT2 H ATOM 35356 OH2 TIP3 8809 54.882 61.461 55.993 1.00 0.00 WT2 O ATOM 35357 H1 TIP3 8809 54.905 62.174 55.355 1.00 0.00 WT2 H ATOM 35358 H2 TIP3 8809 55.803 61.245 56.145 1.00 0.00 WT2 H ATOM 35359 OH2 TIP3 8811 71.266 56.349 33.732 1.00 0.00 WT2 O ATOM 35360 H1 TIP3 8811 71.107 56.962 34.450 1.00 0.00 WT2 H ATOM 35361 H2 TIP3 8811 70.403 56.202 33.346 1.00 0.00 WT2 H ATOM 35362 OH2 TIP3 8819 29.198 35.790 -14.000 1.00 0.00 WT2 O ATOM 35363 H1 TIP3 8819 28.428 36.324 -14.196 1.00 0.00 WT2 H ATOM 35364 H2 TIP3 8819 29.870 36.423 -13.749 1.00 0.00 WT2 H ATOM 35365 OH2 TIP3 8820 46.267 15.683 21.288 1.00 0.00 WT2 O ATOM 35366 H1 TIP3 8820 45.559 15.545 21.918 1.00 0.00 WT2 H ATOM 35367 H2 TIP3 8820 45.881 16.236 20.610 1.00 0.00 WT2 H ATOM 35368 OH2 TIP3 8822 24.929 4.719 38.688 1.00 0.00 WT2 O ATOM 35369 H1 TIP3 8822 24.031 4.798 38.366 1.00 0.00 WT2 H ATOM 35370 H2 TIP3 8822 25.467 5.099 37.994 1.00 0.00 WT2 H ATOM 35371 OH2 TIP3 8823 70.495 87.030 50.948 1.00 0.00 WT2 O ATOM 35372 H1 TIP3 8823 71.123 86.344 50.724 1.00 0.00 WT2 H ATOM 35373 H2 TIP3 8823 69.746 86.866 50.376 1.00 0.00 WT2 H ATOM 35374 OH2 TIP3 8827 84.932 76.437 -14.680 1.00 0.00 WT2 O ATOM 35375 H1 TIP3 8827 85.253 77.273 -14.341 1.00 0.00 WT2 H ATOM 35376 H2 TIP3 8827 84.215 76.676 -15.269 1.00 0.00 WT2 H ATOM 35377 OH2 TIP3 8829 21.346 81.904 16.515 1.00 0.00 WT2 O ATOM 35378 H1 TIP3 8829 21.236 81.849 17.464 1.00 0.00 WT2 H ATOM 35379 H2 TIP3 8829 20.489 81.665 16.160 1.00 0.00 WT2 H ATOM 35380 OH2 TIP3 8830 20.368 15.086 -12.250 1.00 0.00 WT2 O ATOM 35381 H1 TIP3 8830 21.242 15.040 -12.636 1.00 0.00 WT2 H ATOM 35382 H2 TIP3 8830 20.422 15.801 -11.616 1.00 0.00 WT2 H ATOM 35383 OH2 TIP3 8842 46.739 9.009 34.750 1.00 0.00 WT2 O ATOM 35384 H1 TIP3 8842 46.422 9.774 34.269 1.00 0.00 WT2 H ATOM 35385 H2 TIP3 8842 47.583 8.806 34.347 1.00 0.00 WT2 H ATOM 35386 OH2 TIP3 8843 78.923 85.920 -18.155 1.00 0.00 WT2 O ATOM 35387 H1 TIP3 8843 78.916 85.322 -18.903 1.00 0.00 WT2 H ATOM 35388 H2 TIP3 8843 79.847 86.138 -18.032 1.00 0.00 WT2 H ATOM 35389 OH2 TIP3 8844 45.762 84.110 41.217 1.00 0.00 WT2 O ATOM 35390 H1 TIP3 8844 45.627 83.785 40.326 1.00 0.00 WT2 H ATOM 35391 H2 TIP3 8844 46.135 84.983 41.101 1.00 0.00 WT2 H ATOM 35392 OH2 TIP3 8845 71.098 34.610 47.418 1.00 0.00 WT2 O ATOM 35393 H1 TIP3 8845 70.504 35.210 47.869 1.00 0.00 WT2 H ATOM 35394 H2 TIP3 8845 70.975 33.771 47.863 1.00 0.00 WT2 H ATOM 35395 OH2 TIP3 8846 25.896 19.388 -14.427 1.00 0.00 WT2 O ATOM 35396 H1 TIP3 8846 25.176 19.442 -15.054 1.00 0.00 WT2 H ATOM 35397 H2 TIP3 8846 25.834 20.197 -13.920 1.00 0.00 WT2 H ATOM 35398 OH2 TIP3 8847 23.335 95.807 -9.194 1.00 0.00 WT2 O ATOM 35399 H1 TIP3 8847 24.215 96.095 -8.951 1.00 0.00 WT2 H ATOM 35400 H2 TIP3 8847 23.121 95.127 -8.556 1.00 0.00 WT2 H ATOM 35401 OH2 TIP3 8849 57.857 75.034 43.442 1.00 0.00 WT2 O ATOM 35402 H1 TIP3 8849 58.040 74.663 42.579 1.00 0.00 WT2 H ATOM 35403 H2 TIP3 8849 56.982 74.713 43.661 1.00 0.00 WT2 H ATOM 35404 OH2 TIP3 8863 66.952 81.508 61.002 1.00 0.00 WT2 O ATOM 35405 H1 TIP3 8863 67.757 81.738 60.538 1.00 0.00 WT2 H ATOM 35406 H2 TIP3 8863 66.708 82.307 61.470 1.00 0.00 WT2 H ATOM 35407 OH2 TIP3 8865 30.387 48.252 47.737 1.00 0.00 WT2 O ATOM 35408 H1 TIP3 8865 31.171 47.748 47.519 1.00 0.00 WT2 H ATOM 35409 H2 TIP3 8865 30.576 49.138 47.427 1.00 0.00 WT2 H ATOM 35410 OH2 TIP3 8866 89.449 17.777 -4.765 1.00 0.00 WT2 O ATOM 35411 H1 TIP3 8866 90.082 18.127 -5.392 1.00 0.00 WT2 H ATOM 35412 H2 TIP3 8866 89.606 18.275 -3.962 1.00 0.00 WT2 H ATOM 35413 OH2 TIP3 8867 56.066 79.129 -2.990 1.00 0.00 WT2 O ATOM 35414 H1 TIP3 8867 56.536 78.385 -2.613 1.00 0.00 WT2 H ATOM 35415 H2 TIP3 8867 55.210 79.114 -2.563 1.00 0.00 WT2 H ATOM 35416 OH2 TIP3 8868 87.881 58.822 41.120 1.00 0.00 WT2 O ATOM 35417 H1 TIP3 8868 88.483 59.526 40.880 1.00 0.00 WT2 H ATOM 35418 H2 TIP3 8868 87.308 58.727 40.360 1.00 0.00 WT2 H ATOM 35419 OH2 TIP3 8869 78.634 63.780 22.350 1.00 0.00 WT2 O ATOM 35420 H1 TIP3 8869 78.317 64.271 23.107 1.00 0.00 WT2 H ATOM 35421 H2 TIP3 8869 78.230 64.211 21.597 1.00 0.00 WT2 H ATOM 35422 OH2 TIP3 8883 73.131 50.255 61.194 1.00 0.00 WT2 O ATOM 35423 H1 TIP3 8883 73.905 50.557 60.721 1.00 0.00 WT2 H ATOM 35424 H2 TIP3 8883 72.527 49.969 60.509 1.00 0.00 WT2 H ATOM 35425 OH2 TIP3 8884 35.255 41.667 -16.807 1.00 0.00 WT2 O ATOM 35426 H1 TIP3 8884 35.364 42.517 -17.232 1.00 0.00 WT2 H ATOM 35427 H2 TIP3 8884 36.137 41.425 -16.525 1.00 0.00 WT2 H ATOM 35428 OH2 TIP3 8885 24.218 42.579 48.824 1.00 0.00 WT2 O ATOM 35429 H1 TIP3 8885 25.049 42.984 48.576 1.00 0.00 WT2 H ATOM 35430 H2 TIP3 8885 24.306 42.404 49.761 1.00 0.00 WT2 H ATOM 35431 OH2 TIP3 8886 79.313 3.102 8.086 1.00 0.00 WT2 O ATOM 35432 H1 TIP3 8886 79.223 2.596 8.893 1.00 0.00 WT2 H ATOM 35433 H2 TIP3 8886 80.235 3.358 8.065 1.00 0.00 WT2 H ATOM 35434 OH2 TIP3 8887 26.335 45.148 59.268 1.00 0.00 WT2 O ATOM 35435 H1 TIP3 8887 26.500 45.453 58.376 1.00 0.00 WT2 H ATOM 35436 H2 TIP3 8887 25.495 45.543 59.505 1.00 0.00 WT2 H ATOM 35437 OH2 TIP3 8889 68.889 65.534 -2.903 1.00 0.00 WT2 O ATOM 35438 H1 TIP3 8889 69.485 66.276 -2.999 1.00 0.00 WT2 H ATOM 35439 H2 TIP3 8889 69.446 64.815 -2.605 1.00 0.00 WT2 H ATOM 35440 OH2 TIP3 8890 75.946 17.924 -8.370 1.00 0.00 WT2 O ATOM 35441 H1 TIP3 8890 76.732 17.966 -8.914 1.00 0.00 WT2 H ATOM 35442 H2 TIP3 8890 76.278 17.856 -7.474 1.00 0.00 WT2 H ATOM 35443 OH2 TIP3 8891 88.969 78.905 8.945 1.00 0.00 WT2 O ATOM 35444 H1 TIP3 8891 88.288 79.290 9.496 1.00 0.00 WT2 H ATOM 35445 H2 TIP3 8891 89.600 78.538 9.565 1.00 0.00 WT2 H ATOM 35446 OH2 TIP3 8901 30.662 94.475 -1.633 1.00 0.00 WT2 O ATOM 35447 H1 TIP3 8901 31.157 94.011 -2.308 1.00 0.00 WT2 H ATOM 35448 H2 TIP3 8901 30.743 93.924 -0.854 1.00 0.00 WT2 H ATOM 35449 OH2 TIP3 8903 57.521 53.751 53.867 1.00 0.00 WT2 O ATOM 35450 H1 TIP3 8903 56.799 53.676 53.242 1.00 0.00 WT2 H ATOM 35451 H2 TIP3 8903 57.816 54.658 53.785 1.00 0.00 WT2 H ATOM 35452 OH2 TIP3 8905 69.249 4.623 11.215 1.00 0.00 WT2 O ATOM 35453 H1 TIP3 8905 69.862 4.164 10.641 1.00 0.00 WT2 H ATOM 35454 H2 TIP3 8905 69.236 5.521 10.884 1.00 0.00 WT2 H ATOM 35455 OH2 TIP3 8906 84.838 51.569 63.631 1.00 0.00 WT2 O ATOM 35456 H1 TIP3 8906 85.738 51.652 63.315 1.00 0.00 WT2 H ATOM 35457 H2 TIP3 8906 84.442 50.913 63.058 1.00 0.00 WT2 H ATOM 35458 OH2 TIP3 8907 65.030 9.416 53.305 1.00 0.00 WT2 O ATOM 35459 H1 TIP3 8907 64.905 9.133 54.211 1.00 0.00 WT2 H ATOM 35460 H2 TIP3 8907 65.925 9.754 53.281 1.00 0.00 WT2 H ATOM 35461 OH2 TIP3 8908 71.885 5.198 44.321 1.00 0.00 WT2 O ATOM 35462 H1 TIP3 8908 72.804 5.366 44.533 1.00 0.00 WT2 H ATOM 35463 H2 TIP3 8908 71.406 5.460 45.108 1.00 0.00 WT2 H ATOM 35464 OH2 TIP3 8909 83.668 93.920 40.673 1.00 0.00 WT2 O ATOM 35465 H1 TIP3 8909 84.355 94.170 40.055 1.00 0.00 WT2 H ATOM 35466 H2 TIP3 8909 83.994 93.119 41.083 1.00 0.00 WT2 H ATOM 35467 OH2 TIP3 8911 51.526 26.844 47.839 1.00 0.00 WT2 O ATOM 35468 H1 TIP3 8911 51.974 26.007 47.715 1.00 0.00 WT2 H ATOM 35469 H2 TIP3 8911 50.722 26.618 48.307 1.00 0.00 WT2 H ATOM 35470 OH2 TIP3 8913 36.873 88.035 30.831 1.00 0.00 WT2 O ATOM 35471 H1 TIP3 8913 37.339 87.442 30.242 1.00 0.00 WT2 H ATOM 35472 H2 TIP3 8913 36.717 88.820 30.307 1.00 0.00 WT2 H ATOM 35473 OH2 TIP3 8914 47.427 84.730 10.489 1.00 0.00 WT2 O ATOM 35474 H1 TIP3 8914 47.696 84.204 11.241 1.00 0.00 WT2 H ATOM 35475 H2 TIP3 8914 47.248 85.597 10.854 1.00 0.00 WT2 H ATOM 35476 OH2 TIP3 8925 65.417 94.037 30.786 1.00 0.00 WT2 O ATOM 35477 H1 TIP3 8925 64.923 93.275 30.485 1.00 0.00 WT2 H ATOM 35478 H2 TIP3 8925 64.915 94.371 31.529 1.00 0.00 WT2 H ATOM 35479 OH2 TIP3 8926 23.504 13.018 -14.334 1.00 0.00 WT2 O ATOM 35480 H1 TIP3 8926 23.102 13.537 -15.031 1.00 0.00 WT2 H ATOM 35481 H2 TIP3 8926 23.392 13.548 -13.545 1.00 0.00 WT2 H ATOM 35482 OH2 TIP3 8927 24.017 47.180 65.275 1.00 0.00 WT2 O ATOM 35483 H1 TIP3 8927 23.773 46.408 64.764 1.00 0.00 WT2 H ATOM 35484 H2 TIP3 8927 24.327 46.827 66.109 1.00 0.00 WT2 H ATOM 35485 OH2 TIP3 8929 60.352 20.289 63.647 1.00 0.00 WT2 O ATOM 35486 H1 TIP3 8929 60.734 19.889 64.428 1.00 0.00 WT2 H ATOM 35487 H2 TIP3 8929 59.621 19.716 63.417 1.00 0.00 WT2 H ATOM 35488 OH2 TIP3 8930 32.257 89.893 10.168 1.00 0.00 WT2 O ATOM 35489 H1 TIP3 8930 31.967 89.983 11.076 1.00 0.00 WT2 H ATOM 35490 H2 TIP3 8930 32.982 90.512 10.085 1.00 0.00 WT2 H ATOM 35491 OH2 TIP3 8931 80.704 1.101 51.868 1.00 0.00 WT2 O ATOM 35492 H1 TIP3 8931 80.340 0.252 52.118 1.00 0.00 WT2 H ATOM 35493 H2 TIP3 8931 81.326 1.310 52.565 1.00 0.00 WT2 H ATOM 35494 OH2 TIP3 8932 70.919 91.145 -2.691 1.00 0.00 WT2 O ATOM 35495 H1 TIP3 8932 70.959 91.033 -1.741 1.00 0.00 WT2 H ATOM 35496 H2 TIP3 8932 70.055 91.524 -2.852 1.00 0.00 WT2 H ATOM 35497 OH2 TIP3 8935 68.990 4.515 -11.122 1.00 0.00 WT2 O ATOM 35498 H1 TIP3 8935 69.728 3.910 -11.052 1.00 0.00 WT2 H ATOM 35499 H2 TIP3 8935 69.389 5.355 -11.350 1.00 0.00 WT2 H ATOM 35500 OH2 TIP3 8944 66.849 25.302 6.727 1.00 0.00 WT2 O ATOM 35501 H1 TIP3 8944 67.313 26.038 7.126 1.00 0.00 WT2 H ATOM 35502 H2 TIP3 8944 66.782 24.653 7.428 1.00 0.00 WT2 H ATOM 35503 OH2 TIP3 8949 75.909 34.145 17.115 1.00 0.00 WT2 O ATOM 35504 H1 TIP3 8949 75.218 33.697 17.602 1.00 0.00 WT2 H ATOM 35505 H2 TIP3 8949 76.632 33.518 17.091 1.00 0.00 WT2 H ATOM 35506 OH2 TIP3 8950 33.103 62.170 -8.526 1.00 0.00 WT2 O ATOM 35507 H1 TIP3 8950 32.214 62.363 -8.229 1.00 0.00 WT2 H ATOM 35508 H2 TIP3 8950 33.087 61.238 -8.744 1.00 0.00 WT2 H ATOM 35509 OH2 TIP3 8951 39.250 29.666 19.403 1.00 0.00 WT2 O ATOM 35510 H1 TIP3 8951 38.450 30.178 19.528 1.00 0.00 WT2 H ATOM 35511 H2 TIP3 8951 39.715 29.741 20.236 1.00 0.00 WT2 H ATOM 35512 OH2 TIP3 8953 36.729 94.390 18.892 1.00 0.00 WT2 O ATOM 35513 H1 TIP3 8953 36.071 95.084 18.922 1.00 0.00 WT2 H ATOM 35514 H2 TIP3 8953 36.553 93.859 19.669 1.00 0.00 WT2 H ATOM 35515 OH2 TIP3 8954 59.806 96.727 -16.551 1.00 0.00 WT2 O ATOM 35516 H1 TIP3 8954 59.268 95.938 -16.606 1.00 0.00 WT2 H ATOM 35517 H2 TIP3 8954 59.940 96.991 -17.461 1.00 0.00 WT2 H ATOM 35518 OH2 TIP3 8967 78.506 94.194 5.982 1.00 0.00 WT2 O ATOM 35519 H1 TIP3 8967 77.643 94.400 6.341 1.00 0.00 WT2 H ATOM 35520 H2 TIP3 8967 78.879 95.045 5.752 1.00 0.00 WT2 H ATOM 35521 OH2 TIP3 8969 80.464 9.856 67.578 1.00 0.00 WT2 O ATOM 35522 H1 TIP3 8969 80.007 10.349 66.896 1.00 0.00 WT2 H ATOM 35523 H2 TIP3 8969 80.953 9.186 67.101 1.00 0.00 WT2 H ATOM 35524 OH2 TIP3 8970 43.321 85.520 -18.937 1.00 0.00 WT2 O ATOM 35525 H1 TIP3 8970 42.959 84.811 -18.406 1.00 0.00 WT2 H ATOM 35526 H2 TIP3 8970 42.767 85.542 -19.717 1.00 0.00 WT2 H ATOM 35527 OH2 TIP3 8972 53.923 33.342 65.838 1.00 0.00 WT2 O ATOM 35528 H1 TIP3 8972 54.626 33.387 65.189 1.00 0.00 WT2 H ATOM 35529 H2 TIP3 8972 53.951 32.441 66.159 1.00 0.00 WT2 H ATOM 35530 OH2 TIP3 8973 41.877 44.052 46.264 1.00 0.00 WT2 O ATOM 35531 H1 TIP3 8973 41.670 43.931 45.338 1.00 0.00 WT2 H ATOM 35532 H2 TIP3 8973 42.643 44.626 46.267 1.00 0.00 WT2 H ATOM 35533 OH2 TIP3 8974 90.269 49.417 61.282 1.00 0.00 WT2 O ATOM 35534 H1 TIP3 8974 89.957 49.931 62.027 1.00 0.00 WT2 H ATOM 35535 H2 TIP3 8974 89.648 48.692 61.213 1.00 0.00 WT2 H ATOM 35536 OH2 TIP3 8975 68.109 73.200 -3.657 1.00 0.00 WT2 O ATOM 35537 H1 TIP3 8975 68.551 73.895 -4.145 1.00 0.00 WT2 H ATOM 35538 H2 TIP3 8975 67.687 73.651 -2.926 1.00 0.00 WT2 H ATOM 35539 OH2 TIP3 8976 45.558 41.138 66.800 1.00 0.00 WT2 O ATOM 35540 H1 TIP3 8976 45.515 41.399 67.719 1.00 0.00 WT2 H ATOM 35541 H2 TIP3 8976 46.248 41.685 66.426 1.00 0.00 WT2 H ATOM 35542 OH2 TIP3 8977 70.832 36.412 66.363 1.00 0.00 WT2 O ATOM 35543 H1 TIP3 8977 71.405 35.797 66.821 1.00 0.00 WT2 H ATOM 35544 H2 TIP3 8977 70.371 35.876 65.719 1.00 0.00 WT2 H ATOM 35545 OH2 TIP3 8978 75.301 48.393 11.959 1.00 0.00 WT2 O ATOM 35546 H1 TIP3 8978 75.511 48.598 12.870 1.00 0.00 WT2 H ATOM 35547 H2 TIP3 8978 76.058 48.705 11.463 1.00 0.00 WT2 H ATOM 35548 OH2 TIP3 8988 23.539 23.602 43.741 1.00 0.00 WT2 O ATOM 35549 H1 TIP3 8988 23.938 24.472 43.722 1.00 0.00 WT2 H ATOM 35550 H2 TIP3 8988 24.197 23.028 43.349 1.00 0.00 WT2 H ATOM 35551 OH2 TIP3 8990 30.835 54.354 6.418 1.00 0.00 WT2 O ATOM 35552 H1 TIP3 8990 31.087 54.292 7.339 1.00 0.00 WT2 H ATOM 35553 H2 TIP3 8990 31.287 53.624 5.995 1.00 0.00 WT2 H ATOM 35554 OH2 TIP3 8991 19.883 24.617 58.164 1.00 0.00 WT2 O ATOM 35555 H1 TIP3 8991 20.274 25.114 57.446 1.00 0.00 WT2 H ATOM 35556 H2 TIP3 8991 20.529 24.663 58.868 1.00 0.00 WT2 H ATOM 35557 OH2 TIP3 8992 65.396 77.198 -0.247 1.00 0.00 WT2 O ATOM 35558 H1 TIP3 8992 64.470 77.122 -0.016 1.00 0.00 WT2 H ATOM 35559 H2 TIP3 8992 65.738 77.863 0.351 1.00 0.00 WT2 H ATOM 35560 OH2 TIP3 8995 40.203 45.675 47.859 1.00 0.00 WT2 O ATOM 35561 H1 TIP3 8995 40.744 46.306 48.334 1.00 0.00 WT2 H ATOM 35562 H2 TIP3 8995 40.831 45.101 47.422 1.00 0.00 WT2 H ATOM 35563 OH2 TIP3 8996 79.164 65.274 17.859 1.00 0.00 WT2 O ATOM 35564 H1 TIP3 8996 79.359 66.181 17.622 1.00 0.00 WT2 H ATOM 35565 H2 TIP3 8996 79.078 64.820 17.021 1.00 0.00 WT2 H ATOM 35566 OH2 TIP3 8997 82.310 78.652 17.885 1.00 0.00 WT2 O ATOM 35567 H1 TIP3 8997 82.879 78.966 18.587 1.00 0.00 WT2 H ATOM 35568 H2 TIP3 8997 81.907 77.859 18.239 1.00 0.00 WT2 H ATOM 35569 OH2 TIP3 8999 79.861 39.408 -18.009 1.00 0.00 WT2 O ATOM 35570 H1 TIP3 8999 80.219 40.142 -17.510 1.00 0.00 WT2 H ATOM 35571 H2 TIP3 8999 78.912 39.527 -17.964 1.00 0.00 WT2 H ATOM 35572 OH2 TIP3 9008 23.103 8.110 6.245 1.00 0.00 WT2 O ATOM 35573 H1 TIP3 9008 22.155 8.179 6.129 1.00 0.00 WT2 H ATOM 35574 H2 TIP3 9008 23.325 8.831 6.835 1.00 0.00 WT2 H ATOM 35575 OH2 TIP3 9009 28.172 66.679 -12.538 1.00 0.00 WT2 O ATOM 35576 H1 TIP3 9009 28.348 66.272 -11.690 1.00 0.00 WT2 H ATOM 35577 H2 TIP3 9009 29.017 66.670 -12.988 1.00 0.00 WT2 H ATOM 35578 OH2 TIP3 9013 31.465 10.980 67.021 1.00 0.00 WT2 O ATOM 35579 H1 TIP3 9013 30.570 10.652 67.111 1.00 0.00 WT2 H ATOM 35580 H2 TIP3 9013 31.397 11.917 67.207 1.00 0.00 WT2 H ATOM 35581 OH2 TIP3 9014 57.873 62.244 64.276 1.00 0.00 WT2 O ATOM 35582 H1 TIP3 9014 57.673 62.551 65.160 1.00 0.00 WT2 H ATOM 35583 H2 TIP3 9014 57.093 61.760 64.007 1.00 0.00 WT2 H ATOM 35584 OH2 TIP3 9015 40.835 4.368 37.036 1.00 0.00 WT2 O ATOM 35585 H1 TIP3 9015 41.490 4.946 37.426 1.00 0.00 WT2 H ATOM 35586 H2 TIP3 9015 40.806 3.609 37.619 1.00 0.00 WT2 H ATOM 35587 OH2 TIP3 9016 37.908 18.902 -5.132 1.00 0.00 WT2 O ATOM 35588 H1 TIP3 9016 38.759 18.814 -4.703 1.00 0.00 WT2 H ATOM 35589 H2 TIP3 9016 38.118 19.160 -6.029 1.00 0.00 WT2 H ATOM 35590 OH2 TIP3 9019 62.575 92.938 43.230 1.00 0.00 WT2 O ATOM 35591 H1 TIP3 9019 62.543 92.089 43.670 1.00 0.00 WT2 H ATOM 35592 H2 TIP3 9019 63.509 93.131 43.149 1.00 0.00 WT2 H ATOM 35593 OH2 TIP3 9024 49.982 8.016 66.751 1.00 0.00 WT2 O ATOM 35594 H1 TIP3 9024 50.639 7.321 66.785 1.00 0.00 WT2 H ATOM 35595 H2 TIP3 9024 49.246 7.627 66.279 1.00 0.00 WT2 H ATOM 35596 OH2 TIP3 9031 65.543 51.504 19.118 1.00 0.00 WT2 O ATOM 35597 H1 TIP3 9031 65.512 51.486 18.161 1.00 0.00 WT2 H ATOM 35598 H2 TIP3 9031 64.917 50.834 19.391 1.00 0.00 WT2 H ATOM 35599 OH2 TIP3 9033 64.739 13.310 59.137 1.00 0.00 WT2 O ATOM 35600 H1 TIP3 9033 65.108 14.030 58.626 1.00 0.00 WT2 H ATOM 35601 H2 TIP3 9033 65.117 13.416 60.010 1.00 0.00 WT2 H ATOM 35602 OH2 TIP3 9034 30.944 54.144 -17.114 1.00 0.00 WT2 O ATOM 35603 H1 TIP3 9034 31.567 54.158 -16.388 1.00 0.00 WT2 H ATOM 35604 H2 TIP3 9034 30.880 55.058 -17.393 1.00 0.00 WT2 H ATOM 35605 OH2 TIP3 9035 73.041 69.953 63.160 1.00 0.00 WT2 O ATOM 35606 H1 TIP3 9035 72.434 70.296 63.816 1.00 0.00 WT2 H ATOM 35607 H2 TIP3 9035 72.514 69.875 62.364 1.00 0.00 WT2 H ATOM 35608 OH2 TIP3 9036 71.753 84.571 -16.648 1.00 0.00 WT2 O ATOM 35609 H1 TIP3 9036 71.357 84.425 -17.507 1.00 0.00 WT2 H ATOM 35610 H2 TIP3 9036 72.659 84.279 -16.748 1.00 0.00 WT2 H ATOM 35611 OH2 TIP3 9039 20.649 53.843 -16.867 1.00 0.00 WT2 O ATOM 35612 H1 TIP3 9039 20.265 54.412 -17.535 1.00 0.00 WT2 H ATOM 35613 H2 TIP3 9039 20.295 52.975 -17.059 1.00 0.00 WT2 H ATOM 35614 OH2 TIP3 9047 84.734 21.903 38.764 1.00 0.00 WT2 O ATOM 35615 H1 TIP3 9047 84.456 22.538 39.424 1.00 0.00 WT2 H ATOM 35616 H2 TIP3 9047 85.641 21.701 38.992 1.00 0.00 WT2 H ATOM 35617 OH2 TIP3 9051 63.799 66.170 28.632 1.00 0.00 WT2 O ATOM 35618 H1 TIP3 9051 63.386 65.700 29.357 1.00 0.00 WT2 H ATOM 35619 H2 TIP3 9051 63.360 65.837 27.849 1.00 0.00 WT2 H ATOM 35620 OH2 TIP3 9052 68.889 63.512 52.515 1.00 0.00 WT2 O ATOM 35621 H1 TIP3 9052 68.620 62.856 51.872 1.00 0.00 WT2 H ATOM 35622 H2 TIP3 9052 68.068 63.839 52.883 1.00 0.00 WT2 H ATOM 35623 OH2 TIP3 9054 77.069 16.872 57.494 1.00 0.00 WT2 O ATOM 35624 H1 TIP3 9054 76.438 16.494 56.883 1.00 0.00 WT2 H ATOM 35625 H2 TIP3 9054 77.376 17.668 57.060 1.00 0.00 WT2 H ATOM 35626 OH2 TIP3 9055 34.430 53.547 47.700 1.00 0.00 WT2 O ATOM 35627 H1 TIP3 9055 34.991 53.167 48.376 1.00 0.00 WT2 H ATOM 35628 H2 TIP3 9055 35.040 53.870 47.036 1.00 0.00 WT2 H ATOM 35629 OH2 TIP3 9058 54.841 62.378 -6.611 1.00 0.00 WT2 O ATOM 35630 H1 TIP3 9058 55.335 62.282 -5.796 1.00 0.00 WT2 H ATOM 35631 H2 TIP3 9058 54.056 62.864 -6.359 1.00 0.00 WT2 H ATOM 35632 OH2 TIP3 9072 21.748 18.910 62.286 1.00 0.00 WT2 O ATOM 35633 H1 TIP3 9072 22.036 18.343 63.002 1.00 0.00 WT2 H ATOM 35634 H2 TIP3 9072 22.522 19.429 62.066 1.00 0.00 WT2 H ATOM 35635 OH2 TIP3 9073 86.151 49.946 36.659 1.00 0.00 WT2 O ATOM 35636 H1 TIP3 9073 85.478 50.461 37.105 1.00 0.00 WT2 H ATOM 35637 H2 TIP3 9073 85.985 50.091 35.728 1.00 0.00 WT2 H ATOM 35638 OH2 TIP3 9075 41.903 75.766 59.583 1.00 0.00 WT2 O ATOM 35639 H1 TIP3 9075 42.586 75.275 59.127 1.00 0.00 WT2 H ATOM 35640 H2 TIP3 9075 42.375 76.449 60.059 1.00 0.00 WT2 H ATOM 35641 OH2 TIP3 9078 88.070 1.166 64.043 1.00 0.00 WT2 O ATOM 35642 H1 TIP3 9078 87.317 0.731 64.444 1.00 0.00 WT2 H ATOM 35643 H2 TIP3 9078 88.029 2.065 64.370 1.00 0.00 WT2 H ATOM 35644 OH2 TIP3 9079 70.456 13.042 -19.534 1.00 0.00 WT2 O ATOM 35645 H1 TIP3 9079 70.931 12.333 -19.100 1.00 0.00 WT2 H ATOM 35646 H2 TIP3 9079 70.010 13.503 -18.823 1.00 0.00 WT2 H ATOM 35647 OH2 TIP3 9080 29.359 92.482 -9.115 1.00 0.00 WT2 O ATOM 35648 H1 TIP3 9080 28.816 93.157 -8.709 1.00 0.00 WT2 H ATOM 35649 H2 TIP3 9080 29.281 92.645 -10.055 1.00 0.00 WT2 H ATOM 35650 OH2 TIP3 9082 61.937 12.003 -4.415 1.00 0.00 WT2 O ATOM 35651 H1 TIP3 9082 61.278 11.360 -4.677 1.00 0.00 WT2 H ATOM 35652 H2 TIP3 9082 62.774 11.568 -4.580 1.00 0.00 WT2 H ATOM 35653 OH2 TIP3 9092 58.208 45.877 35.290 1.00 0.00 WT2 O ATOM 35654 H1 TIP3 9092 57.787 46.018 34.442 1.00 0.00 WT2 H ATOM 35655 H2 TIP3 9092 58.613 46.719 35.500 1.00 0.00 WT2 H ATOM 35656 OH2 TIP3 9093 23.950 53.766 40.450 1.00 0.00 WT2 O ATOM 35657 H1 TIP3 9093 24.431 53.323 41.149 1.00 0.00 WT2 H ATOM 35658 H2 TIP3 9093 24.627 54.194 39.926 1.00 0.00 WT2 H ATOM 35659 OH2 TIP3 9094 75.612 46.660 54.193 1.00 0.00 WT2 O ATOM 35660 H1 TIP3 9094 75.009 47.367 54.424 1.00 0.00 WT2 H ATOM 35661 H2 TIP3 9094 75.257 46.299 53.381 1.00 0.00 WT2 H ATOM 35662 OH2 TIP3 9096 80.330 21.836 54.681 1.00 0.00 WT2 O ATOM 35663 H1 TIP3 9096 80.258 20.943 54.344 1.00 0.00 WT2 H ATOM 35664 H2 TIP3 9096 80.317 22.390 53.901 1.00 0.00 WT2 H ATOM 35665 OH2 TIP3 9097 29.146 50.071 -12.477 1.00 0.00 WT2 O ATOM 35666 H1 TIP3 9097 29.765 50.595 -11.968 1.00 0.00 WT2 H ATOM 35667 H2 TIP3 9097 28.545 50.712 -12.857 1.00 0.00 WT2 H ATOM 35668 OH2 TIP3 9098 64.311 40.727 37.942 1.00 0.00 WT2 O ATOM 35669 H1 TIP3 9098 64.642 41.312 37.261 1.00 0.00 WT2 H ATOM 35670 H2 TIP3 9098 64.886 39.962 37.902 1.00 0.00 WT2 H ATOM 35671 OH2 TIP3 9099 50.908 9.273 -12.751 1.00 0.00 WT2 O ATOM 35672 H1 TIP3 9099 51.312 10.140 -12.745 1.00 0.00 WT2 H ATOM 35673 H2 TIP3 9099 50.427 9.226 -11.925 1.00 0.00 WT2 H ATOM 35674 OH2 TIP3 9100 85.339 43.801 22.582 1.00 0.00 WT2 O ATOM 35675 H1 TIP3 9100 85.663 44.058 21.719 1.00 0.00 WT2 H ATOM 35676 H2 TIP3 9100 84.397 43.682 22.458 1.00 0.00 WT2 H ATOM 35677 OH2 TIP3 9103 71.874 11.659 4.430 1.00 0.00 WT2 O ATOM 35678 H1 TIP3 9103 71.970 10.821 4.883 1.00 0.00 WT2 H ATOM 35679 H2 TIP3 9103 72.302 11.524 3.584 1.00 0.00 WT2 H ATOM 35680 OH2 TIP3 9110 21.259 52.741 40.588 1.00 0.00 WT2 O ATOM 35681 H1 TIP3 9110 22.104 53.190 40.590 1.00 0.00 WT2 H ATOM 35682 H2 TIP3 9110 21.464 51.843 40.329 1.00 0.00 WT2 H ATOM 35683 OH2 TIP3 9116 21.938 31.720 -1.707 1.00 0.00 WT2 O ATOM 35684 H1 TIP3 9116 21.220 31.202 -1.344 1.00 0.00 WT2 H ATOM 35685 H2 TIP3 9116 22.699 31.141 -1.658 1.00 0.00 WT2 H ATOM 35686 OH2 TIP3 9117 30.879 55.991 27.760 1.00 0.00 WT2 O ATOM 35687 H1 TIP3 9117 29.983 56.296 27.618 1.00 0.00 WT2 H ATOM 35688 H2 TIP3 9117 31.403 56.791 27.791 1.00 0.00 WT2 H ATOM 35689 OH2 TIP3 9120 68.074 78.765 25.362 1.00 0.00 WT2 O ATOM 35690 H1 TIP3 9120 68.789 79.170 24.870 1.00 0.00 WT2 H ATOM 35691 H2 TIP3 9120 67.354 78.707 24.734 1.00 0.00 WT2 H ATOM 35692 OH2 TIP3 9122 79.564 24.516 43.697 1.00 0.00 WT2 O ATOM 35693 H1 TIP3 9122 78.661 24.270 43.495 1.00 0.00 WT2 H ATOM 35694 H2 TIP3 9122 79.589 24.573 44.652 1.00 0.00 WT2 H ATOM 35695 OH2 TIP3 9123 39.402 35.654 15.374 1.00 0.00 WT2 O ATOM 35696 H1 TIP3 9123 39.949 35.818 16.142 1.00 0.00 WT2 H ATOM 35697 H2 TIP3 9123 39.733 36.259 14.710 1.00 0.00 WT2 H ATOM 35698 OH2 TIP3 9124 70.961 47.991 42.841 1.00 0.00 WT2 O ATOM 35699 H1 TIP3 9124 70.449 48.799 42.867 1.00 0.00 WT2 H ATOM 35700 H2 TIP3 9124 70.565 47.479 42.136 1.00 0.00 WT2 H ATOM 35701 OH2 TIP3 9136 86.533 66.958 39.127 1.00 0.00 WT2 O ATOM 35702 H1 TIP3 9136 87.390 67.378 39.205 1.00 0.00 WT2 H ATOM 35703 H2 TIP3 9136 86.613 66.389 38.361 1.00 0.00 WT2 H ATOM 35704 OH2 TIP3 9138 41.774 90.588 -18.215 1.00 0.00 WT2 O ATOM 35705 H1 TIP3 9138 41.909 89.793 -18.731 1.00 0.00 WT2 H ATOM 35706 H2 TIP3 9138 42.658 90.890 -18.005 1.00 0.00 WT2 H ATOM 35707 OH2 TIP3 9139 90.220 6.993 43.206 1.00 0.00 WT2 O ATOM 35708 H1 TIP3 9139 90.345 6.449 43.983 1.00 0.00 WT2 H ATOM 35709 H2 TIP3 9139 91.025 6.879 42.701 1.00 0.00 WT2 H ATOM 35710 OH2 TIP3 9140 88.938 66.537 20.591 1.00 0.00 WT2 O ATOM 35711 H1 TIP3 9140 88.157 66.463 21.141 1.00 0.00 WT2 H ATOM 35712 H2 TIP3 9140 88.672 67.111 19.873 1.00 0.00 WT2 H ATOM 35713 OH2 TIP3 9144 87.596 47.955 53.893 1.00 0.00 WT2 O ATOM 35714 H1 TIP3 9144 87.436 47.861 52.954 1.00 0.00 WT2 H ATOM 35715 H2 TIP3 9144 88.141 48.739 53.965 1.00 0.00 WT2 H ATOM 35716 OH2 TIP3 9145 38.781 26.720 -16.147 1.00 0.00 WT2 O ATOM 35717 H1 TIP3 9145 39.073 25.890 -16.524 1.00 0.00 WT2 H ATOM 35718 H2 TIP3 9145 37.968 26.502 -15.692 1.00 0.00 WT2 H ATOM 35719 OH2 TIP3 9157 26.600 66.407 50.436 1.00 0.00 WT2 O ATOM 35720 H1 TIP3 9157 26.999 65.539 50.496 1.00 0.00 WT2 H ATOM 35721 H2 TIP3 9157 26.219 66.436 49.558 1.00 0.00 WT2 H ATOM 35722 OH2 TIP3 9158 87.877 65.157 50.370 1.00 0.00 WT2 O ATOM 35723 H1 TIP3 9158 87.657 64.620 49.609 1.00 0.00 WT2 H ATOM 35724 H2 TIP3 9158 87.958 66.045 50.021 1.00 0.00 WT2 H ATOM 35725 OH2 TIP3 9159 76.906 92.717 -4.649 1.00 0.00 WT2 O ATOM 35726 H1 TIP3 9159 76.801 93.558 -4.204 1.00 0.00 WT2 H ATOM 35727 H2 TIP3 9159 76.143 92.652 -5.223 1.00 0.00 WT2 H ATOM 35728 OH2 TIP3 9160 40.072 2.346 34.974 1.00 0.00 WT2 O ATOM 35729 H1 TIP3 9160 40.947 2.070 34.699 1.00 0.00 WT2 H ATOM 35730 H2 TIP3 9160 40.063 2.205 35.921 1.00 0.00 WT2 H ATOM 35731 OH2 TIP3 9161 60.673 87.811 62.620 1.00 0.00 WT2 O ATOM 35732 H1 TIP3 9161 61.231 87.978 63.380 1.00 0.00 WT2 H ATOM 35733 H2 TIP3 9161 60.386 86.904 62.727 1.00 0.00 WT2 H ATOM 35734 OH2 TIP3 9162 89.199 38.101 39.811 1.00 0.00 WT2 O ATOM 35735 H1 TIP3 9162 88.440 38.349 40.339 1.00 0.00 WT2 H ATOM 35736 H2 TIP3 9162 88.894 38.172 38.906 1.00 0.00 WT2 H ATOM 35737 OH2 TIP3 9163 36.031 33.814 51.347 1.00 0.00 WT2 O ATOM 35738 H1 TIP3 9163 36.230 32.991 51.794 1.00 0.00 WT2 H ATOM 35739 H2 TIP3 9163 36.842 34.318 51.399 1.00 0.00 WT2 H ATOM 35740 OH2 TIP3 9167 57.142 91.098 31.053 1.00 0.00 WT2 O ATOM 35741 H1 TIP3 9167 56.471 90.724 31.624 1.00 0.00 WT2 H ATOM 35742 H2 TIP3 9167 56.651 91.583 30.391 1.00 0.00 WT2 H ATOM 35743 OH2 TIP3 9170 27.066 29.696 59.101 1.00 0.00 WT2 O ATOM 35744 H1 TIP3 9170 26.355 29.156 59.445 1.00 0.00 WT2 H ATOM 35745 H2 TIP3 9170 27.723 29.699 59.798 1.00 0.00 WT2 H ATOM 35746 OH2 TIP3 9177 90.241 65.896 59.407 1.00 0.00 WT2 O ATOM 35747 H1 TIP3 9177 90.562 65.419 58.641 1.00 0.00 WT2 H ATOM 35748 H2 TIP3 9177 89.323 66.081 59.206 1.00 0.00 WT2 H ATOM 35749 OH2 TIP3 9180 85.373 39.341 53.891 1.00 0.00 WT2 O ATOM 35750 H1 TIP3 9180 85.012 40.078 54.383 1.00 0.00 WT2 H ATOM 35751 H2 TIP3 9180 84.749 39.199 53.179 1.00 0.00 WT2 H ATOM 35752 OH2 TIP3 9181 46.000 12.656 33.905 1.00 0.00 WT2 O ATOM 35753 H1 TIP3 9181 45.621 12.154 34.626 1.00 0.00 WT2 H ATOM 35754 H2 TIP3 9181 46.433 12.000 33.358 1.00 0.00 WT2 H ATOM 35755 OH2 TIP3 9183 26.335 74.200 44.538 1.00 0.00 WT2 O ATOM 35756 H1 TIP3 9183 25.471 74.277 44.135 1.00 0.00 WT2 H ATOM 35757 H2 TIP3 9183 26.592 73.291 44.383 1.00 0.00 WT2 H ATOM 35758 OH2 TIP3 9184 23.753 78.837 23.194 1.00 0.00 WT2 O ATOM 35759 H1 TIP3 9184 22.968 79.371 23.077 1.00 0.00 WT2 H ATOM 35760 H2 TIP3 9184 23.571 78.033 22.706 1.00 0.00 WT2 H ATOM 35761 OH2 TIP3 9185 31.716 29.260 18.477 1.00 0.00 WT2 O ATOM 35762 H1 TIP3 9185 32.383 28.886 17.901 1.00 0.00 WT2 H ATOM 35763 H2 TIP3 9185 30.891 29.114 18.015 1.00 0.00 WT2 H ATOM 35764 OH2 TIP3 9186 57.601 93.408 -15.401 1.00 0.00 WT2 O ATOM 35765 H1 TIP3 9186 57.537 92.796 -14.667 1.00 0.00 WT2 H ATOM 35766 H2 TIP3 9186 56.762 93.325 -15.855 1.00 0.00 WT2 H ATOM 35767 OH2 TIP3 9198 63.018 39.209 47.925 1.00 0.00 WT2 O ATOM 35768 H1 TIP3 9198 62.974 38.352 48.349 1.00 0.00 WT2 H ATOM 35769 H2 TIP3 9198 63.818 39.606 48.270 1.00 0.00 WT2 H ATOM 35770 OH2 TIP3 9200 20.529 59.832 -15.202 1.00 0.00 WT2 O ATOM 35771 H1 TIP3 9200 19.642 60.072 -14.932 1.00 0.00 WT2 H ATOM 35772 H2 TIP3 9200 21.100 60.383 -14.668 1.00 0.00 WT2 H ATOM 35773 OH2 TIP3 9201 88.512 89.150 46.777 1.00 0.00 WT2 O ATOM 35774 H1 TIP3 9201 89.308 88.745 47.119 1.00 0.00 WT2 H ATOM 35775 H2 TIP3 9201 87.880 89.080 47.492 1.00 0.00 WT2 H ATOM 35776 OH2 TIP3 9202 57.872 81.860 30.775 1.00 0.00 WT2 O ATOM 35777 H1 TIP3 9202 57.757 82.562 30.134 1.00 0.00 WT2 H ATOM 35778 H2 TIP3 9202 57.063 81.867 31.286 1.00 0.00 WT2 H ATOM 35779 OH2 TIP3 9203 75.140 62.835 -19.442 1.00 0.00 WT2 O ATOM 35780 H1 TIP3 9203 74.259 62.703 -19.093 1.00 0.00 WT2 H ATOM 35781 H2 TIP3 9203 75.720 62.484 -18.765 1.00 0.00 WT2 H ATOM 35782 OH2 TIP3 9204 64.413 30.346 36.859 1.00 0.00 WT2 O ATOM 35783 H1 TIP3 9204 63.743 30.716 36.285 1.00 0.00 WT2 H ATOM 35784 H2 TIP3 9204 64.322 30.833 37.678 1.00 0.00 WT2 H ATOM 35785 OH2 TIP3 9205 86.150 50.806 6.461 1.00 0.00 WT2 O ATOM 35786 H1 TIP3 9205 86.551 51.445 7.051 1.00 0.00 WT2 H ATOM 35787 H2 TIP3 9205 86.060 50.014 6.990 1.00 0.00 WT2 H ATOM 35788 OH2 TIP3 9219 80.889 4.546 -5.079 1.00 0.00 WT2 O ATOM 35789 H1 TIP3 9219 79.965 4.353 -4.922 1.00 0.00 WT2 H ATOM 35790 H2 TIP3 9219 81.048 5.362 -4.604 1.00 0.00 WT2 H ATOM 35791 OH2 TIP3 9222 43.107 44.908 1.468 1.00 0.00 WT2 O ATOM 35792 H1 TIP3 9222 43.481 45.705 1.093 1.00 0.00 WT2 H ATOM 35793 H2 TIP3 9222 43.319 44.959 2.400 1.00 0.00 WT2 H ATOM 35794 OH2 TIP3 9223 67.551 93.845 45.122 1.00 0.00 WT2 O ATOM 35795 H1 TIP3 9223 67.694 94.515 44.453 1.00 0.00 WT2 H ATOM 35796 H2 TIP3 9223 67.923 94.219 45.920 1.00 0.00 WT2 H ATOM 35797 OH2 TIP3 9225 85.184 26.432 46.880 1.00 0.00 WT2 O ATOM 35798 H1 TIP3 9225 86.097 26.541 47.145 1.00 0.00 WT2 H ATOM 35799 H2 TIP3 9225 84.678 26.796 47.607 1.00 0.00 WT2 H ATOM 35800 OH2 TIP3 9226 89.380 51.624 -19.530 1.00 0.00 WT2 O ATOM 35801 H1 TIP3 9226 88.567 51.175 -19.762 1.00 0.00 WT2 H ATOM 35802 H2 TIP3 9226 89.672 51.194 -18.726 1.00 0.00 WT2 H ATOM 35803 OH2 TIP3 9227 29.241 60.577 -15.548 1.00 0.00 WT2 O ATOM 35804 H1 TIP3 9227 29.758 59.792 -15.364 1.00 0.00 WT2 H ATOM 35805 H2 TIP3 9227 29.356 60.724 -16.487 1.00 0.00 WT2 H ATOM 35806 OH2 TIP3 9228 87.594 32.903 51.846 1.00 0.00 WT2 O ATOM 35807 H1 TIP3 9228 87.343 33.400 51.067 1.00 0.00 WT2 H ATOM 35808 H2 TIP3 9228 88.057 32.138 51.504 1.00 0.00 WT2 H ATOM 35809 OH2 TIP3 9241 60.589 4.257 3.198 1.00 0.00 WT2 O ATOM 35810 H1 TIP3 9241 61.244 3.648 3.539 1.00 0.00 WT2 H ATOM 35811 H2 TIP3 9241 61.086 5.046 2.980 1.00 0.00 WT2 H ATOM 35812 OH2 TIP3 9242 25.932 32.661 15.885 1.00 0.00 WT2 O ATOM 35813 H1 TIP3 9242 26.166 32.852 14.977 1.00 0.00 WT2 H ATOM 35814 H2 TIP3 9242 25.292 33.335 16.114 1.00 0.00 WT2 H ATOM 35815 OH2 TIP3 9243 34.308 16.029 57.315 1.00 0.00 WT2 O ATOM 35816 H1 TIP3 9243 34.351 15.087 57.477 1.00 0.00 WT2 H ATOM 35817 H2 TIP3 9243 35.214 16.328 57.397 1.00 0.00 WT2 H ATOM 35818 OH2 TIP3 9244 89.966 54.809 47.113 1.00 0.00 WT2 O ATOM 35819 H1 TIP3 9244 90.822 54.501 46.815 1.00 0.00 WT2 H ATOM 35820 H2 TIP3 9244 89.963 55.744 46.912 1.00 0.00 WT2 H ATOM 35821 OH2 TIP3 9245 57.014 96.414 -19.201 1.00 0.00 WT2 O ATOM 35822 H1 TIP3 9245 56.734 96.086 -18.347 1.00 0.00 WT2 H ATOM 35823 H2 TIP3 9245 56.673 97.308 -19.239 1.00 0.00 WT2 H ATOM 35824 OH2 TIP3 9246 83.644 9.570 57.110 1.00 0.00 WT2 O ATOM 35825 H1 TIP3 9246 84.227 9.854 57.815 1.00 0.00 WT2 H ATOM 35826 H2 TIP3 9246 83.535 10.346 56.561 1.00 0.00 WT2 H ATOM 35827 OH2 TIP3 9247 33.881 13.422 54.297 1.00 0.00 WT2 O ATOM 35828 H1 TIP3 9247 33.627 14.102 53.673 1.00 0.00 WT2 H ATOM 35829 H2 TIP3 9247 34.799 13.607 54.493 1.00 0.00 WT2 H ATOM 35830 OH2 TIP3 9250 84.786 36.311 0.551 1.00 0.00 WT2 O ATOM 35831 H1 TIP3 9250 84.390 35.859 1.296 1.00 0.00 WT2 H ATOM 35832 H2 TIP3 9250 85.397 35.674 0.182 1.00 0.00 WT2 H ATOM 35833 OH2 TIP3 9259 38.621 80.093 45.911 1.00 0.00 WT2 O ATOM 35834 H1 TIP3 9259 39.154 80.382 45.170 1.00 0.00 WT2 H ATOM 35835 H2 TIP3 9259 38.150 79.327 45.584 1.00 0.00 WT2 H ATOM 35836 OH2 TIP3 9261 58.659 1.384 2.883 1.00 0.00 WT2 O ATOM 35837 H1 TIP3 9261 57.808 0.946 2.876 1.00 0.00 WT2 H ATOM 35838 H2 TIP3 9261 58.895 1.435 3.809 1.00 0.00 WT2 H ATOM 35839 OH2 TIP3 4 61.582 11.209 -1.665 1.00 0.00 WT3 O ATOM 35840 H1 TIP3 4 60.752 11.611 -1.410 1.00 0.00 WT3 H ATOM 35841 H2 TIP3 4 62.000 11.859 -2.230 1.00 0.00 WT3 H ATOM 35842 OH2 TIP3 5 71.629 82.437 45.720 1.00 0.00 WT3 O ATOM 35843 H1 TIP3 5 71.474 82.341 44.780 1.00 0.00 WT3 H ATOM 35844 H2 TIP3 5 70.807 82.167 46.128 1.00 0.00 WT3 H ATOM 35845 OH2 TIP3 6 74.974 41.008 4.304 1.00 0.00 WT3 O ATOM 35846 H1 TIP3 6 74.172 40.830 4.795 1.00 0.00 WT3 H ATOM 35847 H2 TIP3 6 75.437 41.662 4.829 1.00 0.00 WT3 H ATOM 35848 OH2 TIP3 7 59.753 83.352 53.517 1.00 0.00 WT3 O ATOM 35849 H1 TIP3 7 60.612 83.029 53.789 1.00 0.00 WT3 H ATOM 35850 H2 TIP3 7 59.175 83.141 54.250 1.00 0.00 WT3 H ATOM 35851 OH2 TIP3 8 41.691 63.338 43.082 1.00 0.00 WT3 O ATOM 35852 H1 TIP3 8 42.646 63.391 43.120 1.00 0.00 WT3 H ATOM 35853 H2 TIP3 8 41.391 64.193 43.389 1.00 0.00 WT3 H ATOM 35854 OH2 TIP3 10 49.631 0.360 12.607 1.00 0.00 WT3 O ATOM 35855 H1 TIP3 10 50.270 1.073 12.607 1.00 0.00 WT3 H ATOM 35856 H2 TIP3 10 48.892 0.701 13.111 1.00 0.00 WT3 H ATOM 35857 OH2 TIP3 11 77.477 53.256 15.840 1.00 0.00 WT3 O ATOM 35858 H1 TIP3 11 77.571 54.034 16.390 1.00 0.00 WT3 H ATOM 35859 H2 TIP3 11 77.288 52.548 16.456 1.00 0.00 WT3 H ATOM 35860 OH2 TIP3 12 44.469 3.018 6.123 1.00 0.00 WT3 O ATOM 35861 H1 TIP3 12 44.757 3.514 6.889 1.00 0.00 WT3 H ATOM 35862 H2 TIP3 12 44.613 2.102 6.363 1.00 0.00 WT3 H ATOM 35863 OH2 TIP3 13 46.468 49.857 -14.577 1.00 0.00 WT3 O ATOM 35864 H1 TIP3 13 46.870 50.709 -14.408 1.00 0.00 WT3 H ATOM 35865 H2 TIP3 13 45.909 49.701 -13.815 1.00 0.00 WT3 H ATOM 35866 OH2 TIP3 15 72.959 61.447 29.949 1.00 0.00 WT3 O ATOM 35867 H1 TIP3 15 73.117 60.644 29.452 1.00 0.00 WT3 H ATOM 35868 H2 TIP3 15 72.635 61.144 30.798 1.00 0.00 WT3 H ATOM 35869 OH2 TIP3 16 23.544 75.024 57.957 1.00 0.00 WT3 O ATOM 35870 H1 TIP3 16 23.499 74.169 57.529 1.00 0.00 WT3 H ATOM 35871 H2 TIP3 16 24.137 74.891 58.697 1.00 0.00 WT3 H ATOM 35872 OH2 TIP3 17 23.780 51.257 58.229 1.00 0.00 WT3 O ATOM 35873 H1 TIP3 17 23.923 50.727 57.444 1.00 0.00 WT3 H ATOM 35874 H2 TIP3 17 22.993 51.766 58.035 1.00 0.00 WT3 H ATOM 35875 OH2 TIP3 18 40.158 71.653 57.823 1.00 0.00 WT3 O ATOM 35876 H1 TIP3 18 40.466 72.293 57.180 1.00 0.00 WT3 H ATOM 35877 H2 TIP3 18 40.874 71.583 58.454 1.00 0.00 WT3 H ATOM 35878 OH2 TIP3 19 76.186 63.801 62.968 1.00 0.00 WT3 O ATOM 35879 H1 TIP3 19 76.709 63.189 62.449 1.00 0.00 WT3 H ATOM 35880 H2 TIP3 19 75.521 63.254 63.386 1.00 0.00 WT3 H ATOM 35881 OH2 TIP3 20 59.957 27.795 39.225 1.00 0.00 WT3 O ATOM 35882 H1 TIP3 20 60.068 27.839 38.275 1.00 0.00 WT3 H ATOM 35883 H2 TIP3 20 59.031 27.988 39.368 1.00 0.00 WT3 H ATOM 35884 OH2 TIP3 21 23.919 81.525 9.632 1.00 0.00 WT3 O ATOM 35885 H1 TIP3 21 23.729 81.877 10.501 1.00 0.00 WT3 H ATOM 35886 H2 TIP3 21 23.059 81.331 9.258 1.00 0.00 WT3 H ATOM 35887 OH2 TIP3 22 77.669 75.650 43.672 1.00 0.00 WT3 O ATOM 35888 H1 TIP3 22 78.580 75.395 43.824 1.00 0.00 WT3 H ATOM 35889 H2 TIP3 22 77.275 74.888 43.248 1.00 0.00 WT3 H ATOM 35890 OH2 TIP3 23 69.470 67.975 45.684 1.00 0.00 WT3 O ATOM 35891 H1 TIP3 23 68.803 68.481 46.147 1.00 0.00 WT3 H ATOM 35892 H2 TIP3 23 70.300 68.282 46.049 1.00 0.00 WT3 H ATOM 35893 OH2 TIP3 24 35.591 68.644 38.915 1.00 0.00 WT3 O ATOM 35894 H1 TIP3 24 36.350 68.293 38.449 1.00 0.00 WT3 H ATOM 35895 H2 TIP3 24 35.671 68.295 39.802 1.00 0.00 WT3 H ATOM 35896 OH2 TIP3 25 66.165 2.446 -14.930 1.00 0.00 WT3 O ATOM 35897 H1 TIP3 25 65.314 2.287 -14.521 1.00 0.00 WT3 H ATOM 35898 H2 TIP3 25 66.736 2.701 -14.205 1.00 0.00 WT3 H ATOM 35899 OH2 TIP3 26 75.592 93.296 7.261 1.00 0.00 WT3 O ATOM 35900 H1 TIP3 26 75.472 94.245 7.213 1.00 0.00 WT3 H ATOM 35901 H2 TIP3 26 76.369 93.180 7.808 1.00 0.00 WT3 H ATOM 35902 OH2 TIP3 27 80.448 67.207 32.348 1.00 0.00 WT3 O ATOM 35903 H1 TIP3 27 80.017 67.429 33.174 1.00 0.00 WT3 H ATOM 35904 H2 TIP3 27 79.761 67.298 31.687 1.00 0.00 WT3 H ATOM 35905 OH2 TIP3 29 29.269 32.889 54.652 1.00 0.00 WT3 O ATOM 35906 H1 TIP3 29 29.835 33.194 55.361 1.00 0.00 WT3 H ATOM 35907 H2 TIP3 29 29.037 33.684 54.172 1.00 0.00 WT3 H ATOM 35908 OH2 TIP3 30 28.515 72.484 28.338 1.00 0.00 WT3 O ATOM 35909 H1 TIP3 30 27.820 71.893 28.047 1.00 0.00 WT3 H ATOM 35910 H2 TIP3 30 28.296 72.682 29.248 1.00 0.00 WT3 H ATOM 35911 OH2 TIP3 31 74.871 78.749 23.169 1.00 0.00 WT3 O ATOM 35912 H1 TIP3 31 74.281 78.438 23.855 1.00 0.00 WT3 H ATOM 35913 H2 TIP3 31 75.702 78.307 23.347 1.00 0.00 WT3 H ATOM 35914 OH2 TIP3 32 76.632 77.294 -12.646 1.00 0.00 WT3 O ATOM 35915 H1 TIP3 32 76.496 76.992 -11.748 1.00 0.00 WT3 H ATOM 35916 H2 TIP3 32 77.583 77.305 -12.754 1.00 0.00 WT3 H ATOM 35917 OH2 TIP3 33 20.579 94.042 51.883 1.00 0.00 WT3 O ATOM 35918 H1 TIP3 33 20.208 94.922 51.954 1.00 0.00 WT3 H ATOM 35919 H2 TIP3 33 21.464 94.182 51.548 1.00 0.00 WT3 H ATOM 35920 OH2 TIP3 34 52.196 33.836 -18.585 1.00 0.00 WT3 O ATOM 35921 H1 TIP3 34 52.468 32.966 -18.294 1.00 0.00 WT3 H ATOM 35922 H2 TIP3 34 52.916 34.142 -19.136 1.00 0.00 WT3 H ATOM 35923 OH2 TIP3 35 41.473 8.465 -3.928 1.00 0.00 WT3 O ATOM 35924 H1 TIP3 35 41.504 9.419 -4.004 1.00 0.00 WT3 H ATOM 35925 H2 TIP3 35 40.653 8.288 -3.468 1.00 0.00 WT3 H ATOM 35926 OH2 TIP3 37 69.476 87.675 43.841 1.00 0.00 WT3 O ATOM 35927 H1 TIP3 37 69.482 88.117 44.690 1.00 0.00 WT3 H ATOM 35928 H2 TIP3 37 68.836 88.163 43.322 1.00 0.00 WT3 H ATOM 35929 OH2 TIP3 39 34.711 93.132 33.887 1.00 0.00 WT3 O ATOM 35930 H1 TIP3 39 34.027 93.351 34.520 1.00 0.00 WT3 H ATOM 35931 H2 TIP3 39 35.496 92.999 34.419 1.00 0.00 WT3 H ATOM 35932 OH2 TIP3 41 51.500 55.909 64.401 1.00 0.00 WT3 O ATOM 35933 H1 TIP3 41 51.389 55.565 65.287 1.00 0.00 WT3 H ATOM 35934 H2 TIP3 41 50.672 55.711 63.962 1.00 0.00 WT3 H ATOM 35935 OH2 TIP3 42 64.764 93.992 44.434 1.00 0.00 WT3 O ATOM 35936 H1 TIP3 42 64.094 94.015 45.117 1.00 0.00 WT3 H ATOM 35937 H2 TIP3 42 65.554 93.693 44.885 1.00 0.00 WT3 H ATOM 35938 OH2 TIP3 43 77.341 -0.407 66.069 1.00 0.00 WT3 O ATOM 35939 H1 TIP3 43 77.802 0.260 65.560 1.00 0.00 WT3 H ATOM 35940 H2 TIP3 43 76.632 0.070 66.502 1.00 0.00 WT3 H ATOM 35941 OH2 TIP3 44 20.355 12.374 58.260 1.00 0.00 WT3 O ATOM 35942 H1 TIP3 44 21.102 12.523 58.839 1.00 0.00 WT3 H ATOM 35943 H2 TIP3 44 19.767 13.109 58.432 1.00 0.00 WT3 H ATOM 35944 OH2 TIP3 45 69.066 76.273 35.782 1.00 0.00 WT3 O ATOM 35945 H1 TIP3 45 68.171 75.941 35.712 1.00 0.00 WT3 H ATOM 35946 H2 TIP3 45 69.332 76.057 36.676 1.00 0.00 WT3 H ATOM 35947 OH2 TIP3 46 28.249 2.958 46.193 1.00 0.00 WT3 O ATOM 35948 H1 TIP3 46 27.838 3.603 45.618 1.00 0.00 WT3 H ATOM 35949 H2 TIP3 46 29.005 3.413 46.563 1.00 0.00 WT3 H ATOM 35950 OH2 TIP3 47 89.848 0.327 12.527 1.00 0.00 WT3 O ATOM 35951 H1 TIP3 47 90.408 0.560 13.268 1.00 0.00 WT3 H ATOM 35952 H2 TIP3 47 90.191 -0.513 12.222 1.00 0.00 WT3 H ATOM 35953 OH2 TIP3 48 81.088 50.926 9.237 1.00 0.00 WT3 O ATOM 35954 H1 TIP3 48 81.998 51.220 9.192 1.00 0.00 WT3 H ATOM 35955 H2 TIP3 48 80.582 51.652 8.874 1.00 0.00 WT3 H ATOM 35956 OH2 TIP3 50 85.235 69.433 30.400 1.00 0.00 WT3 O ATOM 35957 H1 TIP3 50 84.383 69.535 30.824 1.00 0.00 WT3 H ATOM 35958 H2 TIP3 50 85.826 69.172 31.107 1.00 0.00 WT3 H ATOM 35959 OH2 TIP3 52 48.214 36.255 4.895 1.00 0.00 WT3 O ATOM 35960 H1 TIP3 52 48.979 36.188 4.324 1.00 0.00 WT3 H ATOM 35961 H2 TIP3 52 48.540 36.688 5.684 1.00 0.00 WT3 H ATOM 35962 OH2 TIP3 53 77.646 48.703 52.737 1.00 0.00 WT3 O ATOM 35963 H1 TIP3 53 76.995 49.403 52.684 1.00 0.00 WT3 H ATOM 35964 H2 TIP3 53 78.049 48.683 51.869 1.00 0.00 WT3 H ATOM 35965 OH2 TIP3 55 34.520 67.799 46.890 1.00 0.00 WT3 O ATOM 35966 H1 TIP3 55 34.706 66.878 46.706 1.00 0.00 WT3 H ATOM 35967 H2 TIP3 55 34.721 67.903 47.820 1.00 0.00 WT3 H ATOM 35968 OH2 TIP3 56 78.131 49.080 11.311 1.00 0.00 WT3 O ATOM 35969 H1 TIP3 56 79.084 49.032 11.386 1.00 0.00 WT3 H ATOM 35970 H2 TIP3 56 77.903 49.926 11.698 1.00 0.00 WT3 H ATOM 35971 OH2 TIP3 58 24.081 88.098 26.163 1.00 0.00 WT3 O ATOM 35972 H1 TIP3 58 23.871 88.222 25.238 1.00 0.00 WT3 H ATOM 35973 H2 TIP3 58 24.566 87.274 26.191 1.00 0.00 WT3 H ATOM 35974 OH2 TIP3 59 38.131 96.749 -8.319 1.00 0.00 WT3 O ATOM 35975 H1 TIP3 59 38.137 97.177 -7.462 1.00 0.00 WT3 H ATOM 35976 H2 TIP3 59 39.012 96.387 -8.413 1.00 0.00 WT3 H ATOM 35977 OH2 TIP3 60 45.371 5.828 -18.252 1.00 0.00 WT3 O ATOM 35978 H1 TIP3 60 44.748 5.904 -18.975 1.00 0.00 WT3 H ATOM 35979 H2 TIP3 60 44.837 5.921 -17.463 1.00 0.00 WT3 H ATOM 35980 OH2 TIP3 61 68.925 92.929 65.579 1.00 0.00 WT3 O ATOM 35981 H1 TIP3 61 69.375 93.221 66.371 1.00 0.00 WT3 H ATOM 35982 H2 TIP3 61 68.868 93.713 65.032 1.00 0.00 WT3 H ATOM 35983 OH2 TIP3 62 69.054 67.597 -14.411 1.00 0.00 WT3 O ATOM 35984 H1 TIP3 62 69.308 66.795 -14.868 1.00 0.00 WT3 H ATOM 35985 H2 TIP3 62 68.557 68.095 -15.060 1.00 0.00 WT3 H ATOM 35986 OH2 TIP3 63 27.810 76.045 22.182 1.00 0.00 WT3 O ATOM 35987 H1 TIP3 63 27.437 76.788 21.709 1.00 0.00 WT3 H ATOM 35988 H2 TIP3 63 27.254 75.304 21.942 1.00 0.00 WT3 H ATOM 35989 OH2 TIP3 64 79.940 61.724 -0.319 1.00 0.00 WT3 O ATOM 35990 H1 TIP3 64 79.334 61.252 0.251 1.00 0.00 WT3 H ATOM 35991 H2 TIP3 64 79.381 62.310 -0.830 1.00 0.00 WT3 H ATOM 35992 OH2 TIP3 66 39.252 1.592 -6.327 1.00 0.00 WT3 O ATOM 35993 H1 TIP3 66 39.710 1.434 -5.501 1.00 0.00 WT3 H ATOM 35994 H2 TIP3 66 38.567 2.223 -6.105 1.00 0.00 WT3 H ATOM 35995 OH2 TIP3 67 74.847 53.886 2.302 1.00 0.00 WT3 O ATOM 35996 H1 TIP3 67 74.785 53.678 1.370 1.00 0.00 WT3 H ATOM 35997 H2 TIP3 67 74.261 53.259 2.727 1.00 0.00 WT3 H ATOM 35998 OH2 TIP3 68 65.897 58.143 4.326 1.00 0.00 WT3 O ATOM 35999 H1 TIP3 68 65.555 58.872 4.844 1.00 0.00 WT3 H ATOM 36000 H2 TIP3 68 66.787 58.012 4.654 1.00 0.00 WT3 H ATOM 36001 OH2 TIP3 69 28.473 65.646 47.941 1.00 0.00 WT3 O ATOM 36002 H1 TIP3 69 29.341 65.989 48.153 1.00 0.00 WT3 H ATOM 36003 H2 TIP3 69 28.278 65.033 48.651 1.00 0.00 WT3 H ATOM 36004 OH2 TIP3 70 32.901 82.544 65.475 1.00 0.00 WT3 O ATOM 36005 H1 TIP3 70 33.355 81.703 65.428 1.00 0.00 WT3 H ATOM 36006 H2 TIP3 70 32.363 82.570 64.684 1.00 0.00 WT3 H ATOM 36007 OH2 TIP3 71 32.158 77.351 39.235 1.00 0.00 WT3 O ATOM 36008 H1 TIP3 71 31.729 76.543 39.518 1.00 0.00 WT3 H ATOM 36009 H2 TIP3 71 31.534 77.757 38.634 1.00 0.00 WT3 H ATOM 36010 OH2 TIP3 72 27.346 57.085 49.688 1.00 0.00 WT3 O ATOM 36011 H1 TIP3 72 27.136 57.451 48.829 1.00 0.00 WT3 H ATOM 36012 H2 TIP3 72 26.974 56.203 49.670 1.00 0.00 WT3 H ATOM 36013 OH2 TIP3 74 84.335 70.680 -12.641 1.00 0.00 WT3 O ATOM 36014 H1 TIP3 74 84.291 71.457 -12.085 1.00 0.00 WT3 H ATOM 36015 H2 TIP3 74 84.328 69.945 -12.027 1.00 0.00 WT3 H ATOM 36016 OH2 TIP3 75 20.891 76.328 49.705 1.00 0.00 WT3 O ATOM 36017 H1 TIP3 75 20.072 76.823 49.735 1.00 0.00 WT3 H ATOM 36018 H2 TIP3 75 20.716 75.612 49.094 1.00 0.00 WT3 H ATOM 36019 OH2 TIP3 76 89.215 67.525 0.630 1.00 0.00 WT3 O ATOM 36020 H1 TIP3 76 88.472 67.200 0.122 1.00 0.00 WT3 H ATOM 36021 H2 TIP3 76 89.804 66.773 0.701 1.00 0.00 WT3 H ATOM 36022 OH2 TIP3 78 34.274 68.532 49.846 1.00 0.00 WT3 O ATOM 36023 H1 TIP3 78 33.642 68.989 49.291 1.00 0.00 WT3 H ATOM 36024 H2 TIP3 78 33.736 68.052 50.477 1.00 0.00 WT3 H ATOM 36025 OH2 TIP3 79 41.399 89.995 57.103 1.00 0.00 WT3 O ATOM 36026 H1 TIP3 79 40.890 89.924 57.911 1.00 0.00 WT3 H ATOM 36027 H2 TIP3 79 42.066 89.313 57.179 1.00 0.00 WT3 H ATOM 36028 OH2 TIP3 80 81.620 58.635 3.294 1.00 0.00 WT3 O ATOM 36029 H1 TIP3 80 81.414 58.688 4.227 1.00 0.00 WT3 H ATOM 36030 H2 TIP3 80 80.935 58.076 2.928 1.00 0.00 WT3 H ATOM 36031 OH2 TIP3 81 50.444 4.861 49.327 1.00 0.00 WT3 O ATOM 36032 H1 TIP3 81 49.660 4.318 49.411 1.00 0.00 WT3 H ATOM 36033 H2 TIP3 81 50.157 5.619 48.818 1.00 0.00 WT3 H ATOM 36034 OH2 TIP3 82 53.719 29.453 30.717 1.00 0.00 WT3 O ATOM 36035 H1 TIP3 82 54.096 29.652 31.574 1.00 0.00 WT3 H ATOM 36036 H2 TIP3 82 52.876 29.046 30.914 1.00 0.00 WT3 H ATOM 36037 OH2 TIP3 83 75.873 21.949 1.646 1.00 0.00 WT3 O ATOM 36038 H1 TIP3 83 75.602 22.738 2.115 1.00 0.00 WT3 H ATOM 36039 H2 TIP3 83 76.675 21.671 2.088 1.00 0.00 WT3 H ATOM 36040 OH2 TIP3 84 42.337 96.471 16.365 1.00 0.00 WT3 O ATOM 36041 H1 TIP3 84 42.143 95.557 16.571 1.00 0.00 WT3 H ATOM 36042 H2 TIP3 84 43.281 96.487 16.208 1.00 0.00 WT3 H ATOM 36043 OH2 TIP3 86 74.752 5.546 -17.201 1.00 0.00 WT3 O ATOM 36044 H1 TIP3 86 74.180 4.781 -17.149 1.00 0.00 WT3 H ATOM 36045 H2 TIP3 86 74.775 5.767 -18.132 1.00 0.00 WT3 H ATOM 36046 OH2 TIP3 87 73.496 64.958 51.349 1.00 0.00 WT3 O ATOM 36047 H1 TIP3 87 73.065 65.349 50.589 1.00 0.00 WT3 H ATOM 36048 H2 TIP3 87 74.395 65.285 51.310 1.00 0.00 WT3 H ATOM 36049 OH2 TIP3 88 42.238 67.306 -3.033 1.00 0.00 WT3 O ATOM 36050 H1 TIP3 88 41.467 66.823 -2.736 1.00 0.00 WT3 H ATOM 36051 H2 TIP3 88 42.931 67.051 -2.424 1.00 0.00 WT3 H ATOM 36052 OH2 TIP3 90 71.078 91.541 62.426 1.00 0.00 WT3 O ATOM 36053 H1 TIP3 90 71.932 91.490 62.854 1.00 0.00 WT3 H ATOM 36054 H2 TIP3 90 70.529 90.926 62.912 1.00 0.00 WT3 H ATOM 36055 OH2 TIP3 91 60.458 88.105 -2.145 1.00 0.00 WT3 O ATOM 36056 H1 TIP3 91 61.335 88.446 -1.973 1.00 0.00 WT3 H ATOM 36057 H2 TIP3 91 60.604 87.325 -2.680 1.00 0.00 WT3 H ATOM 36058 OH2 TIP3 92 48.067 34.842 12.295 1.00 0.00 WT3 O ATOM 36059 H1 TIP3 92 47.335 34.284 12.560 1.00 0.00 WT3 H ATOM 36060 H2 TIP3 92 48.279 35.347 13.080 1.00 0.00 WT3 H ATOM 36061 OH2 TIP3 93 63.778 13.435 -2.642 1.00 0.00 WT3 O ATOM 36062 H1 TIP3 93 63.578 14.148 -3.248 1.00 0.00 WT3 H ATOM 36063 H2 TIP3 93 64.212 12.775 -3.182 1.00 0.00 WT3 H ATOM 36064 OH2 TIP3 94 38.077 65.715 59.840 1.00 0.00 WT3 O ATOM 36065 H1 TIP3 94 38.492 64.922 60.180 1.00 0.00 WT3 H ATOM 36066 H2 TIP3 94 38.574 66.432 60.233 1.00 0.00 WT3 H ATOM 36067 OH2 TIP3 95 34.599 19.660 -12.397 1.00 0.00 WT3 O ATOM 36068 H1 TIP3 95 33.974 20.386 -12.382 1.00 0.00 WT3 H ATOM 36069 H2 TIP3 95 34.064 18.881 -12.246 1.00 0.00 WT3 H ATOM 36070 OH2 TIP3 97 31.615 21.040 8.249 1.00 0.00 WT3 O ATOM 36071 H1 TIP3 97 32.344 21.660 8.276 1.00 0.00 WT3 H ATOM 36072 H2 TIP3 97 32.031 20.185 8.138 1.00 0.00 WT3 H ATOM 36073 OH2 TIP3 98 70.324 79.136 28.720 1.00 0.00 WT3 O ATOM 36074 H1 TIP3 98 69.907 78.288 28.568 1.00 0.00 WT3 H ATOM 36075 H2 TIP3 98 70.615 79.101 29.631 1.00 0.00 WT3 H ATOM 36076 OH2 TIP3 99 88.259 90.006 16.017 1.00 0.00 WT3 O ATOM 36077 H1 TIP3 99 87.753 89.368 16.520 1.00 0.00 WT3 H ATOM 36078 H2 TIP3 99 88.674 90.559 16.679 1.00 0.00 WT3 H ATOM 36079 OH2 TIP3 100 72.372 22.086 -16.278 1.00 0.00 WT3 O ATOM 36080 H1 TIP3 100 72.284 22.258 -17.215 1.00 0.00 WT3 H ATOM 36081 H2 TIP3 100 73.199 22.501 -16.034 1.00 0.00 WT3 H ATOM 36082 OH2 TIP3 101 72.868 76.103 -18.085 1.00 0.00 WT3 O ATOM 36083 H1 TIP3 101 72.970 75.708 -18.951 1.00 0.00 WT3 H ATOM 36084 H2 TIP3 101 73.043 75.388 -17.473 1.00 0.00 WT3 H ATOM 36085 OH2 TIP3 102 28.132 18.668 30.314 1.00 0.00 WT3 O ATOM 36086 H1 TIP3 102 28.314 19.256 29.581 1.00 0.00 WT3 H ATOM 36087 H2 TIP3 102 27.371 19.053 30.748 1.00 0.00 WT3 H ATOM 36088 OH2 TIP3 104 64.849 8.678 10.393 1.00 0.00 WT3 O ATOM 36089 H1 TIP3 104 63.909 8.727 10.220 1.00 0.00 WT3 H ATOM 36090 H2 TIP3 104 65.013 9.373 11.029 1.00 0.00 WT3 H ATOM 36091 OH2 TIP3 105 47.995 81.158 -14.924 1.00 0.00 WT3 O ATOM 36092 H1 TIP3 105 47.169 80.716 -14.729 1.00 0.00 WT3 H ATOM 36093 H2 TIP3 105 47.768 82.087 -14.960 1.00 0.00 WT3 H ATOM 36094 OH2 TIP3 106 75.120 86.163 25.749 1.00 0.00 WT3 O ATOM 36095 H1 TIP3 106 75.838 86.601 26.205 1.00 0.00 WT3 H ATOM 36096 H2 TIP3 106 75.475 85.957 24.884 1.00 0.00 WT3 H ATOM 36097 OH2 TIP3 107 80.553 52.063 58.146 1.00 0.00 WT3 O ATOM 36098 H1 TIP3 107 80.837 51.749 57.288 1.00 0.00 WT3 H ATOM 36099 H2 TIP3 107 80.556 53.017 58.066 1.00 0.00 WT3 H ATOM 36100 OH2 TIP3 108 36.724 36.207 60.210 1.00 0.00 WT3 O ATOM 36101 H1 TIP3 108 37.192 36.312 61.039 1.00 0.00 WT3 H ATOM 36102 H2 TIP3 108 36.311 35.346 60.275 1.00 0.00 WT3 H ATOM 36103 OH2 TIP3 109 29.388 57.103 31.457 1.00 0.00 WT3 O ATOM 36104 H1 TIP3 109 30.118 57.716 31.369 1.00 0.00 WT3 H ATOM 36105 H2 TIP3 109 29.802 56.240 31.485 1.00 0.00 WT3 H ATOM 36106 OH2 TIP3 110 83.407 83.711 -0.795 1.00 0.00 WT3 O ATOM 36107 H1 TIP3 110 84.045 84.299 -0.392 1.00 0.00 WT3 H ATOM 36108 H2 TIP3 110 83.842 83.390 -1.585 1.00 0.00 WT3 H ATOM 36109 OH2 TIP3 111 39.060 11.954 -0.614 1.00 0.00 WT3 O ATOM 36110 H1 TIP3 111 38.260 11.462 -0.800 1.00 0.00 WT3 H ATOM 36111 H2 TIP3 111 38.827 12.865 -0.791 1.00 0.00 WT3 H ATOM 36112 OH2 TIP3 112 48.520 53.448 -20.057 1.00 0.00 WT3 O ATOM 36113 H1 TIP3 112 48.219 54.164 -20.616 1.00 0.00 WT3 H ATOM 36114 H2 TIP3 112 47.959 53.496 -19.283 1.00 0.00 WT3 H ATOM 36115 OH2 TIP3 113 42.154 37.252 27.702 1.00 0.00 WT3 O ATOM 36116 H1 TIP3 113 42.967 37.038 28.161 1.00 0.00 WT3 H ATOM 36117 H2 TIP3 113 42.422 37.398 26.795 1.00 0.00 WT3 H ATOM 36118 OH2 TIP3 114 88.409 90.093 62.079 1.00 0.00 WT3 O ATOM 36119 H1 TIP3 114 89.072 89.893 62.740 1.00 0.00 WT3 H ATOM 36120 H2 TIP3 114 88.613 89.507 61.350 1.00 0.00 WT3 H ATOM 36121 OH2 TIP3 115 70.668 69.515 14.043 1.00 0.00 WT3 O ATOM 36122 H1 TIP3 115 71.333 70.133 14.346 1.00 0.00 WT3 H ATOM 36123 H2 TIP3 115 70.674 68.817 14.699 1.00 0.00 WT3 H ATOM 36124 OH2 TIP3 118 69.197 56.001 37.232 1.00 0.00 WT3 O ATOM 36125 H1 TIP3 118 68.453 55.762 37.784 1.00 0.00 WT3 H ATOM 36126 H2 TIP3 118 69.220 55.327 36.553 1.00 0.00 WT3 H ATOM 36127 OH2 TIP3 119 63.044 68.900 -11.500 1.00 0.00 WT3 O ATOM 36128 H1 TIP3 119 62.887 69.712 -11.018 1.00 0.00 WT3 H ATOM 36129 H2 TIP3 119 63.992 68.880 -11.633 1.00 0.00 WT3 H ATOM 36130 OH2 TIP3 120 85.630 76.954 51.328 1.00 0.00 WT3 O ATOM 36131 H1 TIP3 120 85.893 77.865 51.463 1.00 0.00 WT3 H ATOM 36132 H2 TIP3 120 84.674 76.970 51.385 1.00 0.00 WT3 H ATOM 36133 OH2 TIP3 121 67.609 49.661 27.713 1.00 0.00 WT3 O ATOM 36134 H1 TIP3 121 67.490 50.575 27.970 1.00 0.00 WT3 H ATOM 36135 H2 TIP3 121 67.172 49.591 26.864 1.00 0.00 WT3 H ATOM 36136 OH2 TIP3 122 85.773 89.857 35.338 1.00 0.00 WT3 O ATOM 36137 H1 TIP3 122 84.824 89.960 35.405 1.00 0.00 WT3 H ATOM 36138 H2 TIP3 122 85.984 90.141 34.449 1.00 0.00 WT3 H ATOM 36139 OH2 TIP3 124 65.734 62.437 -8.836 1.00 0.00 WT3 O ATOM 36140 H1 TIP3 124 65.634 62.577 -7.894 1.00 0.00 WT3 H ATOM 36141 H2 TIP3 124 64.943 62.815 -9.220 1.00 0.00 WT3 H ATOM 36142 OH2 TIP3 125 71.329 65.498 5.898 1.00 0.00 WT3 O ATOM 36143 H1 TIP3 125 70.545 65.954 5.591 1.00 0.00 WT3 H ATOM 36144 H2 TIP3 125 71.893 65.447 5.127 1.00 0.00 WT3 H ATOM 36145 OH2 TIP3 126 86.428 81.782 58.278 1.00 0.00 WT3 O ATOM 36146 H1 TIP3 126 85.670 82.352 58.411 1.00 0.00 WT3 H ATOM 36147 H2 TIP3 126 87.129 82.374 58.007 1.00 0.00 WT3 H ATOM 36148 OH2 TIP3 127 37.379 69.192 51.778 1.00 0.00 WT3 O ATOM 36149 H1 TIP3 127 38.284 69.332 52.057 1.00 0.00 WT3 H ATOM 36150 H2 TIP3 127 37.453 68.686 50.969 1.00 0.00 WT3 H ATOM 36151 OH2 TIP3 128 48.333 6.059 -16.821 1.00 0.00 WT3 O ATOM 36152 H1 TIP3 128 47.812 5.784 -17.576 1.00 0.00 WT3 H ATOM 36153 H2 TIP3 128 48.297 7.016 -16.841 1.00 0.00 WT3 H ATOM 36154 OH2 TIP3 129 42.017 64.602 50.937 1.00 0.00 WT3 O ATOM 36155 H1 TIP3 129 42.237 65.371 51.462 1.00 0.00 WT3 H ATOM 36156 H2 TIP3 129 42.751 64.508 50.329 1.00 0.00 WT3 H ATOM 36157 OH2 TIP3 130 49.764 16.402 23.253 1.00 0.00 WT3 O ATOM 36158 H1 TIP3 130 50.431 17.020 23.549 1.00 0.00 WT3 H ATOM 36159 H2 TIP3 130 49.389 16.808 22.471 1.00 0.00 WT3 H ATOM 36160 OH2 TIP3 131 27.131 2.204 20.048 1.00 0.00 WT3 O ATOM 36161 H1 TIP3 131 26.469 1.517 20.125 1.00 0.00 WT3 H ATOM 36162 H2 TIP3 131 27.218 2.350 19.106 1.00 0.00 WT3 H ATOM 36163 OH2 TIP3 132 64.814 3.732 -8.624 1.00 0.00 WT3 O ATOM 36164 H1 TIP3 132 64.020 3.254 -8.387 1.00 0.00 WT3 H ATOM 36165 H2 TIP3 132 65.294 3.132 -9.195 1.00 0.00 WT3 H ATOM 36166 OH2 TIP3 133 33.964 59.576 61.123 1.00 0.00 WT3 O ATOM 36167 H1 TIP3 133 33.543 58.739 60.928 1.00 0.00 WT3 H ATOM 36168 H2 TIP3 133 33.307 60.066 61.618 1.00 0.00 WT3 H ATOM 36169 OH2 TIP3 134 89.984 91.831 -18.980 1.00 0.00 WT3 O ATOM 36170 H1 TIP3 134 90.421 92.662 -19.166 1.00 0.00 WT3 H ATOM 36171 H2 TIP3 134 89.182 91.859 -19.502 1.00 0.00 WT3 H ATOM 36172 OH2 TIP3 135 54.024 94.310 50.679 1.00 0.00 WT3 O ATOM 36173 H1 TIP3 135 54.293 93.708 49.985 1.00 0.00 WT3 H ATOM 36174 H2 TIP3 135 53.918 95.152 50.238 1.00 0.00 WT3 H ATOM 36175 OH2 TIP3 136 81.041 86.422 31.279 1.00 0.00 WT3 O ATOM 36176 H1 TIP3 136 80.149 86.552 30.956 1.00 0.00 WT3 H ATOM 36177 H2 TIP3 136 81.002 86.679 32.200 1.00 0.00 WT3 H ATOM 36178 OH2 TIP3 137 51.307 7.208 55.305 1.00 0.00 WT3 O ATOM 36179 H1 TIP3 137 51.767 7.847 55.848 1.00 0.00 WT3 H ATOM 36180 H2 TIP3 137 50.441 7.131 55.706 1.00 0.00 WT3 H ATOM 36181 OH2 TIP3 138 71.150 30.795 19.832 1.00 0.00 WT3 O ATOM 36182 H1 TIP3 138 70.796 31.639 19.552 1.00 0.00 WT3 H ATOM 36183 H2 TIP3 138 72.070 30.973 20.027 1.00 0.00 WT3 H ATOM 36184 OH2 TIP3 139 23.648 73.673 11.995 1.00 0.00 WT3 O ATOM 36185 H1 TIP3 139 22.692 73.680 12.033 1.00 0.00 WT3 H ATOM 36186 H2 TIP3 139 23.865 72.839 11.578 1.00 0.00 WT3 H ATOM 36187 OH2 TIP3 140 31.935 49.488 20.439 1.00 0.00 WT3 O ATOM 36188 H1 TIP3 140 32.479 49.376 21.219 1.00 0.00 WT3 H ATOM 36189 H2 TIP3 140 32.047 50.408 20.199 1.00 0.00 WT3 H ATOM 36190 OH2 TIP3 141 77.737 84.319 37.394 1.00 0.00 WT3 O ATOM 36191 H1 TIP3 141 76.845 84.382 37.052 1.00 0.00 WT3 H ATOM 36192 H2 TIP3 141 77.810 85.047 38.010 1.00 0.00 WT3 H ATOM 36193 OH2 TIP3 142 81.436 94.204 24.126 1.00 0.00 WT3 O ATOM 36194 H1 TIP3 142 80.816 94.795 23.700 1.00 0.00 WT3 H ATOM 36195 H2 TIP3 142 80.889 93.521 24.515 1.00 0.00 WT3 H ATOM 36196 OH2 TIP3 143 39.072 73.990 52.777 1.00 0.00 WT3 O ATOM 36197 H1 TIP3 143 39.598 73.211 52.596 1.00 0.00 WT3 H ATOM 36198 H2 TIP3 143 39.215 74.557 52.019 1.00 0.00 WT3 H ATOM 36199 OH2 TIP3 144 62.908 88.025 60.774 1.00 0.00 WT3 O ATOM 36200 H1 TIP3 144 62.272 87.922 61.482 1.00 0.00 WT3 H ATOM 36201 H2 TIP3 144 62.802 87.237 60.240 1.00 0.00 WT3 H ATOM 36202 OH2 TIP3 145 68.457 69.754 3.458 1.00 0.00 WT3 O ATOM 36203 H1 TIP3 145 67.543 69.993 3.303 1.00 0.00 WT3 H ATOM 36204 H2 TIP3 145 68.458 68.797 3.456 1.00 0.00 WT3 H ATOM 36205 OH2 TIP3 147 48.409 87.019 20.617 1.00 0.00 WT3 O ATOM 36206 H1 TIP3 147 48.460 86.140 20.243 1.00 0.00 WT3 H ATOM 36207 H2 TIP3 147 48.401 87.603 19.858 1.00 0.00 WT3 H ATOM 36208 OH2 TIP3 148 32.402 2.603 42.396 1.00 0.00 WT3 O ATOM 36209 H1 TIP3 148 33.168 2.110 42.102 1.00 0.00 WT3 H ATOM 36210 H2 TIP3 148 32.763 3.307 42.936 1.00 0.00 WT3 H ATOM 36211 OH2 TIP3 149 85.249 85.753 -14.663 1.00 0.00 WT3 O ATOM 36212 H1 TIP3 149 84.685 85.317 -14.023 1.00 0.00 WT3 H ATOM 36213 H2 TIP3 149 86.039 85.214 -14.693 1.00 0.00 WT3 H ATOM 36214 OH2 TIP3 150 42.371 63.301 -18.817 1.00 0.00 WT3 O ATOM 36215 H1 TIP3 150 43.101 62.681 -18.801 1.00 0.00 WT3 H ATOM 36216 H2 TIP3 150 42.061 63.329 -17.912 1.00 0.00 WT3 H ATOM 36217 OH2 TIP3 151 42.907 56.199 -12.947 1.00 0.00 WT3 O ATOM 36218 H1 TIP3 151 43.856 56.168 -12.828 1.00 0.00 WT3 H ATOM 36219 H2 TIP3 151 42.609 56.868 -12.330 1.00 0.00 WT3 H ATOM 36220 OH2 TIP3 152 80.725 57.015 -10.479 1.00 0.00 WT3 O ATOM 36221 H1 TIP3 152 80.379 56.363 -11.089 1.00 0.00 WT3 H ATOM 36222 H2 TIP3 152 81.676 56.937 -10.560 1.00 0.00 WT3 H ATOM 36223 OH2 TIP3 154 27.679 73.104 31.112 1.00 0.00 WT3 O ATOM 36224 H1 TIP3 154 27.976 72.634 31.891 1.00 0.00 WT3 H ATOM 36225 H2 TIP3 154 28.080 73.970 31.187 1.00 0.00 WT3 H ATOM 36226 OH2 TIP3 155 82.098 80.045 29.472 1.00 0.00 WT3 O ATOM 36227 H1 TIP3 155 81.243 80.471 29.411 1.00 0.00 WT3 H ATOM 36228 H2 TIP3 155 81.909 79.176 29.825 1.00 0.00 WT3 H ATOM 36229 OH2 TIP3 156 90.516 58.993 -18.051 1.00 0.00 WT3 O ATOM 36230 H1 TIP3 156 89.612 58.680 -18.091 1.00 0.00 WT3 H ATOM 36231 H2 TIP3 156 90.693 59.096 -17.116 1.00 0.00 WT3 H ATOM 36232 OH2 TIP3 157 35.508 25.511 -2.286 1.00 0.00 WT3 O ATOM 36233 H1 TIP3 157 35.992 26.314 -2.092 1.00 0.00 WT3 H ATOM 36234 H2 TIP3 157 36.184 24.870 -2.505 1.00 0.00 WT3 H ATOM 36235 OH2 TIP3 158 30.715 59.422 14.878 1.00 0.00 WT3 O ATOM 36236 H1 TIP3 158 31.642 59.553 15.078 1.00 0.00 WT3 H ATOM 36237 H2 TIP3 158 30.699 58.654 14.306 1.00 0.00 WT3 H ATOM 36238 OH2 TIP3 159 65.301 65.187 36.545 1.00 0.00 WT3 O ATOM 36239 H1 TIP3 159 64.715 64.898 37.245 1.00 0.00 WT3 H ATOM 36240 H2 TIP3 159 64.865 64.913 35.738 1.00 0.00 WT3 H ATOM 36241 OH2 TIP3 160 62.977 74.549 46.561 1.00 0.00 WT3 O ATOM 36242 H1 TIP3 160 63.388 74.151 47.328 1.00 0.00 WT3 H ATOM 36243 H2 TIP3 160 63.626 74.452 45.864 1.00 0.00 WT3 H ATOM 36244 OH2 TIP3 161 71.893 34.488 -9.903 1.00 0.00 WT3 O ATOM 36245 H1 TIP3 161 72.758 34.525 -10.311 1.00 0.00 WT3 H ATOM 36246 H2 TIP3 161 71.909 33.687 -9.379 1.00 0.00 WT3 H ATOM 36247 OH2 TIP3 162 86.950 34.111 16.064 1.00 0.00 WT3 O ATOM 36248 H1 TIP3 162 86.826 33.492 15.344 1.00 0.00 WT3 H ATOM 36249 H2 TIP3 162 87.894 34.263 16.090 1.00 0.00 WT3 H ATOM 36250 OH2 TIP3 164 45.337 18.038 -5.888 1.00 0.00 WT3 O ATOM 36251 H1 TIP3 164 44.594 17.554 -6.249 1.00 0.00 WT3 H ATOM 36252 H2 TIP3 164 45.993 17.366 -5.704 1.00 0.00 WT3 H ATOM 36253 OH2 TIP3 165 20.084 40.345 45.354 1.00 0.00 WT3 O ATOM 36254 H1 TIP3 165 20.595 40.745 44.651 1.00 0.00 WT3 H ATOM 36255 H2 TIP3 165 20.238 39.405 45.258 1.00 0.00 WT3 H ATOM 36256 OH2 TIP3 166 28.324 22.718 -10.827 1.00 0.00 WT3 O ATOM 36257 H1 TIP3 166 27.751 22.027 -11.159 1.00 0.00 WT3 H ATOM 36258 H2 TIP3 166 29.147 22.272 -10.626 1.00 0.00 WT3 H ATOM 36259 OH2 TIP3 167 46.627 71.591 58.637 1.00 0.00 WT3 O ATOM 36260 H1 TIP3 167 46.505 71.844 57.721 1.00 0.00 WT3 H ATOM 36261 H2 TIP3 167 47.142 70.785 58.596 1.00 0.00 WT3 H ATOM 36262 OH2 TIP3 169 50.825 55.638 57.658 1.00 0.00 WT3 O ATOM 36263 H1 TIP3 169 50.236 56.220 58.139 1.00 0.00 WT3 H ATOM 36264 H2 TIP3 169 50.767 55.935 56.750 1.00 0.00 WT3 H ATOM 36265 OH2 TIP3 171 41.483 40.401 -11.140 1.00 0.00 WT3 O ATOM 36266 H1 TIP3 171 42.283 40.925 -11.139 1.00 0.00 WT3 H ATOM 36267 H2 TIP3 171 40.836 40.948 -10.694 1.00 0.00 WT3 H ATOM 36268 OH2 TIP3 176 67.052 72.923 36.095 1.00 0.00 WT3 O ATOM 36269 H1 TIP3 176 66.498 72.218 36.431 1.00 0.00 WT3 H ATOM 36270 H2 TIP3 176 66.821 72.987 35.168 1.00 0.00 WT3 H ATOM 36271 OH2 TIP3 177 87.891 2.798 56.734 1.00 0.00 WT3 O ATOM 36272 H1 TIP3 177 87.487 3.097 57.549 1.00 0.00 WT3 H ATOM 36273 H2 TIP3 177 88.766 2.510 56.992 1.00 0.00 WT3 H ATOM 36274 OH2 TIP3 180 77.062 62.244 -17.355 1.00 0.00 WT3 O ATOM 36275 H1 TIP3 180 76.754 62.717 -16.582 1.00 0.00 WT3 H ATOM 36276 H2 TIP3 180 78.013 62.348 -17.336 1.00 0.00 WT3 H ATOM 36277 OH2 TIP3 182 24.234 34.921 30.417 1.00 0.00 WT3 O ATOM 36278 H1 TIP3 182 24.705 35.077 29.599 1.00 0.00 WT3 H ATOM 36279 H2 TIP3 182 24.034 35.796 30.749 1.00 0.00 WT3 H ATOM 36280 OH2 TIP3 183 46.331 75.272 28.863 1.00 0.00 WT3 O ATOM 36281 H1 TIP3 183 45.523 75.180 28.358 1.00 0.00 WT3 H ATOM 36282 H2 TIP3 183 46.405 74.450 29.349 1.00 0.00 WT3 H ATOM 36283 OH2 TIP3 184 51.861 93.093 -10.073 1.00 0.00 WT3 O ATOM 36284 H1 TIP3 184 52.114 92.239 -10.424 1.00 0.00 WT3 H ATOM 36285 H2 TIP3 184 51.217 92.892 -9.394 1.00 0.00 WT3 H ATOM 36286 OH2 TIP3 186 64.462 85.455 -17.047 1.00 0.00 WT3 O ATOM 36287 H1 TIP3 186 63.615 85.634 -16.638 1.00 0.00 WT3 H ATOM 36288 H2 TIP3 186 64.474 86.010 -17.827 1.00 0.00 WT3 H ATOM 36289 OH2 TIP3 187 34.601 59.716 22.137 1.00 0.00 WT3 O ATOM 36290 H1 TIP3 187 34.699 59.946 23.061 1.00 0.00 WT3 H ATOM 36291 H2 TIP3 187 35.088 60.393 21.667 1.00 0.00 WT3 H ATOM 36292 OH2 TIP3 188 23.881 50.346 -4.069 1.00 0.00 WT3 O ATOM 36293 H1 TIP3 188 23.753 50.202 -5.007 1.00 0.00 WT3 H ATOM 36294 H2 TIP3 188 23.359 49.663 -3.648 1.00 0.00 WT3 H ATOM 36295 OH2 TIP3 192 70.494 21.451 -3.391 1.00 0.00 WT3 O ATOM 36296 H1 TIP3 192 69.928 20.678 -3.405 1.00 0.00 WT3 H ATOM 36297 H2 TIP3 192 70.857 21.466 -2.506 1.00 0.00 WT3 H ATOM 36298 OH2 TIP3 193 63.105 34.955 2.837 1.00 0.00 WT3 O ATOM 36299 H1 TIP3 193 63.848 35.549 2.730 1.00 0.00 WT3 H ATOM 36300 H2 TIP3 193 62.750 35.167 3.701 1.00 0.00 WT3 H ATOM 36301 OH2 TIP3 197 41.649 74.585 62.604 1.00 0.00 WT3 O ATOM 36302 H1 TIP3 197 40.777 74.940 62.430 1.00 0.00 WT3 H ATOM 36303 H2 TIP3 197 42.227 75.066 62.011 1.00 0.00 WT3 H ATOM 36304 OH2 TIP3 200 60.644 29.631 33.844 1.00 0.00 WT3 O ATOM 36305 H1 TIP3 200 60.567 29.916 32.934 1.00 0.00 WT3 H ATOM 36306 H2 TIP3 200 59.925 29.012 33.964 1.00 0.00 WT3 H ATOM 36307 OH2 TIP3 201 56.310 1.674 8.118 1.00 0.00 WT3 O ATOM 36308 H1 TIP3 201 55.709 1.820 7.387 1.00 0.00 WT3 H ATOM 36309 H2 TIP3 201 56.356 2.520 8.563 1.00 0.00 WT3 H ATOM 36310 OH2 TIP3 203 72.590 65.377 55.791 1.00 0.00 WT3 O ATOM 36311 H1 TIP3 203 72.110 66.156 55.510 1.00 0.00 WT3 H ATOM 36312 H2 TIP3 203 72.333 64.699 55.166 1.00 0.00 WT3 H ATOM 36313 OH2 TIP3 204 43.889 10.682 22.775 1.00 0.00 WT3 O ATOM 36314 H1 TIP3 204 44.602 10.063 22.934 1.00 0.00 WT3 H ATOM 36315 H2 TIP3 204 44.267 11.339 22.191 1.00 0.00 WT3 H ATOM 36316 OH2 TIP3 210 72.404 51.158 31.937 1.00 0.00 WT3 O ATOM 36317 H1 TIP3 210 73.112 50.825 31.386 1.00 0.00 WT3 H ATOM 36318 H2 TIP3 210 72.081 51.929 31.472 1.00 0.00 WT3 H ATOM 36319 OH2 TIP3 212 89.032 76.788 6.932 1.00 0.00 WT3 O ATOM 36320 H1 TIP3 212 88.848 77.703 7.146 1.00 0.00 WT3 H ATOM 36321 H2 TIP3 212 89.943 76.659 7.196 1.00 0.00 WT3 H ATOM 36322 OH2 TIP3 215 53.833 46.831 49.238 1.00 0.00 WT3 O ATOM 36323 H1 TIP3 215 53.918 46.214 49.965 1.00 0.00 WT3 H ATOM 36324 H2 TIP3 215 52.914 47.097 49.255 1.00 0.00 WT3 H ATOM 36325 OH2 TIP3 221 86.699 59.221 28.408 1.00 0.00 WT3 O ATOM 36326 H1 TIP3 221 87.112 58.739 29.124 1.00 0.00 WT3 H ATOM 36327 H2 TIP3 221 87.416 59.417 27.805 1.00 0.00 WT3 H ATOM 36328 OH2 TIP3 223 67.219 51.533 40.597 1.00 0.00 WT3 O ATOM 36329 H1 TIP3 223 66.458 51.548 40.016 1.00 0.00 WT3 H ATOM 36330 H2 TIP3 223 66.857 51.679 41.471 1.00 0.00 WT3 H ATOM 36331 OH2 TIP3 225 67.416 39.827 -0.282 1.00 0.00 WT3 O ATOM 36332 H1 TIP3 225 67.006 38.967 -0.370 1.00 0.00 WT3 H ATOM 36333 H2 TIP3 225 66.967 40.374 -0.928 1.00 0.00 WT3 H ATOM 36334 OH2 TIP3 232 51.170 0.139 32.862 1.00 0.00 WT3 O ATOM 36335 H1 TIP3 232 50.856 1.040 32.944 1.00 0.00 WT3 H ATOM 36336 H2 TIP3 232 50.631 -0.240 32.168 1.00 0.00 WT3 H ATOM 36337 OH2 TIP3 234 80.283 91.887 2.693 1.00 0.00 WT3 O ATOM 36338 H1 TIP3 234 80.949 91.750 2.019 1.00 0.00 WT3 H ATOM 36339 H2 TIP3 234 79.823 92.681 2.419 1.00 0.00 WT3 H ATOM 36340 OH2 TIP3 236 66.381 78.330 -5.176 1.00 0.00 WT3 O ATOM 36341 H1 TIP3 236 66.516 78.390 -4.230 1.00 0.00 WT3 H ATOM 36342 H2 TIP3 236 67.091 77.767 -5.485 1.00 0.00 WT3 H ATOM 36343 OH2 TIP3 237 36.497 24.587 37.263 1.00 0.00 WT3 O ATOM 36344 H1 TIP3 237 37.382 24.359 37.549 1.00 0.00 WT3 H ATOM 36345 H2 TIP3 237 36.605 25.406 36.779 1.00 0.00 WT3 H ATOM 36346 OH2 TIP3 239 45.296 77.734 -8.629 1.00 0.00 WT3 O ATOM 36347 H1 TIP3 239 45.395 76.856 -8.259 1.00 0.00 WT3 H ATOM 36348 H2 TIP3 239 45.519 77.631 -9.554 1.00 0.00 WT3 H ATOM 36349 OH2 TIP3 241 90.863 0.790 65.190 1.00 0.00 WT3 O ATOM 36350 H1 TIP3 241 91.230 0.207 64.526 1.00 0.00 WT3 H ATOM 36351 H2 TIP3 241 89.930 0.835 64.981 1.00 0.00 WT3 H ATOM 36352 OH2 TIP3 245 64.292 61.994 35.096 1.00 0.00 WT3 O ATOM 36353 H1 TIP3 245 63.614 61.450 34.696 1.00 0.00 WT3 H ATOM 36354 H2 TIP3 245 64.871 62.227 34.371 1.00 0.00 WT3 H ATOM 36355 OH2 TIP3 256 45.323 88.005 -18.490 1.00 0.00 WT3 O ATOM 36356 H1 TIP3 256 45.523 88.063 -19.424 1.00 0.00 WT3 H ATOM 36357 H2 TIP3 256 44.407 87.728 -18.457 1.00 0.00 WT3 H ATOM 36358 OH2 TIP3 261 78.033 27.196 -15.545 1.00 0.00 WT3 O ATOM 36359 H1 TIP3 261 77.316 27.430 -16.133 1.00 0.00 WT3 H ATOM 36360 H2 TIP3 261 78.733 26.897 -16.126 1.00 0.00 WT3 H ATOM 36361 OH2 TIP3 268 87.048 74.591 41.468 1.00 0.00 WT3 O ATOM 36362 H1 TIP3 268 87.040 74.791 40.532 1.00 0.00 WT3 H ATOM 36363 H2 TIP3 268 87.583 73.802 41.540 1.00 0.00 WT3 H ATOM 36364 OH2 TIP3 270 33.939 92.192 9.595 1.00 0.00 WT3 O ATOM 36365 H1 TIP3 270 33.940 93.066 9.985 1.00 0.00 WT3 H ATOM 36366 H2 TIP3 270 34.460 91.660 10.196 1.00 0.00 WT3 H ATOM 36367 OH2 TIP3 272 75.939 69.713 53.849 1.00 0.00 WT3 O ATOM 36368 H1 TIP3 272 75.218 69.736 53.219 1.00 0.00 WT3 H ATOM 36369 H2 TIP3 272 76.277 68.820 53.794 1.00 0.00 WT3 H ATOM 36370 OH2 TIP3 282 44.870 83.044 0.072 1.00 0.00 WT3 O ATOM 36371 H1 TIP3 282 45.640 82.495 -0.079 1.00 0.00 WT3 H ATOM 36372 H2 TIP3 282 44.390 83.018 -0.755 1.00 0.00 WT3 H ATOM 36373 OH2 TIP3 287 79.850 43.677 37.351 1.00 0.00 WT3 O ATOM 36374 H1 TIP3 287 79.449 42.997 36.810 1.00 0.00 WT3 H ATOM 36375 H2 TIP3 287 80.218 43.203 38.097 1.00 0.00 WT3 H ATOM 36376 OH2 TIP3 290 70.783 60.427 -0.259 1.00 0.00 WT3 O ATOM 36377 H1 TIP3 290 70.949 61.216 0.257 1.00 0.00 WT3 H ATOM 36378 H2 TIP3 290 70.779 59.717 0.382 1.00 0.00 WT3 H ATOM 36379 OH2 TIP3 313 22.627 32.885 25.568 1.00 0.00 WT3 O ATOM 36380 H1 TIP3 313 23.408 33.124 26.068 1.00 0.00 WT3 H ATOM 36381 H2 TIP3 313 22.968 32.489 24.766 1.00 0.00 WT3 H ATOM 36382 OH2 TIP3 360 62.037 24.126 2.024 1.00 0.00 WT3 O ATOM 36383 H1 TIP3 360 61.454 23.484 2.429 1.00 0.00 WT3 H ATOM 36384 H2 TIP3 360 61.528 24.936 2.010 1.00 0.00 WT3 H ATOM 36385 OH2 TIP3 365 89.122 50.855 3.556 1.00 0.00 WT3 O ATOM 36386 H1 TIP3 365 89.695 51.050 4.298 1.00 0.00 WT3 H ATOM 36387 H2 TIP3 365 88.419 50.322 3.929 1.00 0.00 WT3 H ATOM 36388 OH2 TIP3 370 49.146 82.573 27.233 1.00 0.00 WT3 O ATOM 36389 H1 TIP3 370 50.003 82.607 26.808 1.00 0.00 WT3 H ATOM 36390 H2 TIP3 370 48.942 81.640 27.289 1.00 0.00 WT3 H ATOM 36391 OH2 TIP3 379 85.308 11.270 63.140 1.00 0.00 WT3 O ATOM 36392 H1 TIP3 379 86.204 11.432 63.434 1.00 0.00 WT3 H ATOM 36393 H2 TIP3 379 85.376 10.499 62.577 1.00 0.00 WT3 H ATOM 36394 OH2 TIP3 400 76.296 21.622 51.103 1.00 0.00 WT3 O ATOM 36395 H1 TIP3 400 76.630 21.483 50.217 1.00 0.00 WT3 H ATOM 36396 H2 TIP3 400 75.893 22.490 51.074 1.00 0.00 WT3 H ATOM 36397 OH2 TIP3 407 47.436 56.429 -0.317 1.00 0.00 WT3 O ATOM 36398 H1 TIP3 407 47.700 57.212 0.167 1.00 0.00 WT3 H ATOM 36399 H2 TIP3 407 47.207 56.751 -1.189 1.00 0.00 WT3 H ATOM 36400 OH2 TIP3 408 31.462 37.597 31.632 1.00 0.00 WT3 O ATOM 36401 H1 TIP3 408 30.639 37.118 31.532 1.00 0.00 WT3 H ATOM 36402 H2 TIP3 408 31.812 37.662 30.744 1.00 0.00 WT3 H ATOM 36403 OH2 TIP3 411 54.817 1.256 23.155 1.00 0.00 WT3 O ATOM 36404 H1 TIP3 411 54.936 0.341 23.411 1.00 0.00 WT3 H ATOM 36405 H2 TIP3 411 54.072 1.556 23.676 1.00 0.00 WT3 H ATOM 36406 OH2 TIP3 412 78.089 15.868 64.159 1.00 0.00 WT3 O ATOM 36407 H1 TIP3 412 78.649 15.280 64.664 1.00 0.00 WT3 H ATOM 36408 H2 TIP3 412 78.685 16.304 63.550 1.00 0.00 WT3 H ATOM 36409 OH2 TIP3 413 84.043 41.105 46.148 1.00 0.00 WT3 O ATOM 36410 H1 TIP3 413 83.729 40.847 45.281 1.00 0.00 WT3 H ATOM 36411 H2 TIP3 413 83.768 40.392 46.724 1.00 0.00 WT3 H ATOM 36412 OH2 TIP3 417 36.014 2.294 30.165 1.00 0.00 WT3 O ATOM 36413 H1 TIP3 417 36.888 1.975 29.938 1.00 0.00 WT3 H ATOM 36414 H2 TIP3 417 36.137 2.762 30.991 1.00 0.00 WT3 H ATOM 36415 OH2 TIP3 421 58.104 67.182 -17.005 1.00 0.00 WT3 O ATOM 36416 H1 TIP3 421 58.154 68.097 -16.729 1.00 0.00 WT3 H ATOM 36417 H2 TIP3 421 57.227 66.900 -16.745 1.00 0.00 WT3 H ATOM 36418 OH2 TIP3 424 24.355 73.854 18.728 1.00 0.00 WT3 O ATOM 36419 H1 TIP3 424 25.293 74.045 18.694 1.00 0.00 WT3 H ATOM 36420 H2 TIP3 424 24.215 73.496 19.604 1.00 0.00 WT3 H ATOM 36421 OH2 TIP3 429 52.373 15.059 6.213 1.00 0.00 WT3 O ATOM 36422 H1 TIP3 429 52.206 14.400 5.540 1.00 0.00 WT3 H ATOM 36423 H2 TIP3 429 51.705 15.728 6.064 1.00 0.00 WT3 H ATOM 36424 OH2 TIP3 430 86.450 57.176 22.662 1.00 0.00 WT3 O ATOM 36425 H1 TIP3 430 86.183 56.259 22.592 1.00 0.00 WT3 H ATOM 36426 H2 TIP3 430 85.656 57.673 22.464 1.00 0.00 WT3 H ATOM 36427 OH2 TIP3 432 65.493 49.371 38.745 1.00 0.00 WT3 O ATOM 36428 H1 TIP3 432 65.498 49.034 39.641 1.00 0.00 WT3 H ATOM 36429 H2 TIP3 432 64.668 49.058 38.375 1.00 0.00 WT3 H ATOM 36430 OH2 TIP3 434 40.997 41.776 55.614 1.00 0.00 WT3 O ATOM 36431 H1 TIP3 434 40.927 41.758 56.568 1.00 0.00 WT3 H ATOM 36432 H2 TIP3 434 41.613 42.485 55.431 1.00 0.00 WT3 H ATOM 36433 OH2 TIP3 436 50.297 35.844 23.636 1.00 0.00 WT3 O ATOM 36434 H1 TIP3 436 50.548 35.163 24.261 1.00 0.00 WT3 H ATOM 36435 H2 TIP3 436 50.657 35.547 22.800 1.00 0.00 WT3 H ATOM 36436 OH2 TIP3 437 89.646 36.228 -15.650 1.00 0.00 WT3 O ATOM 36437 H1 TIP3 437 90.265 36.377 -16.364 1.00 0.00 WT3 H ATOM 36438 H2 TIP3 437 89.966 36.777 -14.935 1.00 0.00 WT3 H ATOM 36439 OH2 TIP3 438 61.163 70.960 30.460 1.00 0.00 WT3 O ATOM 36440 H1 TIP3 438 60.397 70.434 30.692 1.00 0.00 WT3 H ATOM 36441 H2 TIP3 438 61.443 70.615 29.612 1.00 0.00 WT3 H ATOM 36442 OH2 TIP3 440 52.221 77.126 50.599 1.00 0.00 WT3 O ATOM 36443 H1 TIP3 440 53.104 76.796 50.768 1.00 0.00 WT3 H ATOM 36444 H2 TIP3 440 52.308 78.078 50.640 1.00 0.00 WT3 H ATOM 36445 OH2 TIP3 441 27.159 36.635 45.628 1.00 0.00 WT3 O ATOM 36446 H1 TIP3 441 27.980 37.123 45.690 1.00 0.00 WT3 H ATOM 36447 H2 TIP3 441 26.942 36.647 44.696 1.00 0.00 WT3 H ATOM 36448 OH2 TIP3 442 24.598 6.078 -17.253 1.00 0.00 WT3 O ATOM 36449 H1 TIP3 442 25.034 6.748 -17.780 1.00 0.00 WT3 H ATOM 36450 H2 TIP3 442 24.561 5.310 -17.825 1.00 0.00 WT3 H ATOM 36451 OH2 TIP3 443 69.235 72.877 0.597 1.00 0.00 WT3 O ATOM 36452 H1 TIP3 443 68.348 72.559 0.428 1.00 0.00 WT3 H ATOM 36453 H2 TIP3 443 69.806 72.204 0.226 1.00 0.00 WT3 H ATOM 36454 OH2 TIP3 444 82.368 56.927 58.988 1.00 0.00 WT3 O ATOM 36455 H1 TIP3 444 81.607 57.486 59.145 1.00 0.00 WT3 H ATOM 36456 H2 TIP3 444 83.020 57.513 58.602 1.00 0.00 WT3 H ATOM 36457 OH2 TIP3 447 51.599 92.871 31.741 1.00 0.00 WT3 O ATOM 36458 H1 TIP3 447 51.763 92.141 31.144 1.00 0.00 WT3 H ATOM 36459 H2 TIP3 447 51.296 93.581 31.174 1.00 0.00 WT3 H ATOM 36460 OH2 TIP3 449 47.166 89.786 12.890 1.00 0.00 WT3 O ATOM 36461 H1 TIP3 449 47.748 89.031 12.802 1.00 0.00 WT3 H ATOM 36462 H2 TIP3 449 47.688 90.438 13.359 1.00 0.00 WT3 H ATOM 36463 OH2 TIP3 450 85.302 -0.033 6.752 1.00 0.00 WT3 O ATOM 36464 H1 TIP3 450 85.549 0.784 6.319 1.00 0.00 WT3 H ATOM 36465 H2 TIP3 450 84.556 -0.356 6.246 1.00 0.00 WT3 H ATOM 36466 OH2 TIP3 451 69.850 90.782 58.837 1.00 0.00 WT3 O ATOM 36467 H1 TIP3 451 70.729 90.550 59.135 1.00 0.00 WT3 H ATOM 36468 H2 TIP3 451 69.401 89.942 58.736 1.00 0.00 WT3 H ATOM 36469 OH2 TIP3 452 79.216 91.723 5.453 1.00 0.00 WT3 O ATOM 36470 H1 TIP3 452 79.932 91.779 4.820 1.00 0.00 WT3 H ATOM 36471 H2 TIP3 452 78.975 92.634 5.623 1.00 0.00 WT3 H ATOM 36472 OH2 TIP3 453 22.900 88.330 52.632 1.00 0.00 WT3 O ATOM 36473 H1 TIP3 453 23.671 88.839 52.383 1.00 0.00 WT3 H ATOM 36474 H2 TIP3 453 23.197 87.782 53.358 1.00 0.00 WT3 H ATOM 36475 OH2 TIP3 455 24.112 38.468 20.275 1.00 0.00 WT3 O ATOM 36476 H1 TIP3 455 24.342 38.796 19.405 1.00 0.00 WT3 H ATOM 36477 H2 TIP3 455 24.189 39.231 20.847 1.00 0.00 WT3 H ATOM 36478 OH2 TIP3 457 21.967 18.817 41.775 1.00 0.00 WT3 O ATOM 36479 H1 TIP3 457 22.207 17.926 41.520 1.00 0.00 WT3 H ATOM 36480 H2 TIP3 457 21.261 18.702 42.411 1.00 0.00 WT3 H ATOM 36481 OH2 TIP3 458 26.498 80.057 44.933 1.00 0.00 WT3 O ATOM 36482 H1 TIP3 458 26.436 79.159 45.257 1.00 0.00 WT3 H ATOM 36483 H2 TIP3 458 26.435 79.973 43.981 1.00 0.00 WT3 H ATOM 36484 OH2 TIP3 459 72.769 41.734 40.579 1.00 0.00 WT3 O ATOM 36485 H1 TIP3 459 72.079 41.391 40.011 1.00 0.00 WT3 H ATOM 36486 H2 TIP3 459 73.319 42.259 39.998 1.00 0.00 WT3 H ATOM 36487 OH2 TIP3 461 50.949 5.184 -3.687 1.00 0.00 WT3 O ATOM 36488 H1 TIP3 461 51.435 5.668 -3.018 1.00 0.00 WT3 H ATOM 36489 H2 TIP3 461 50.577 4.437 -3.219 1.00 0.00 WT3 H ATOM 36490 OH2 TIP3 462 65.688 62.362 28.490 1.00 0.00 WT3 O ATOM 36491 H1 TIP3 462 66.003 62.190 27.603 1.00 0.00 WT3 H ATOM 36492 H2 TIP3 462 64.754 62.155 28.458 1.00 0.00 WT3 H ATOM 36493 OH2 TIP3 463 58.660 71.928 35.754 1.00 0.00 WT3 O ATOM 36494 H1 TIP3 463 58.384 71.210 36.323 1.00 0.00 WT3 H ATOM 36495 H2 TIP3 463 57.906 72.084 35.184 1.00 0.00 WT3 H ATOM 36496 OH2 TIP3 465 50.150 3.714 -13.771 1.00 0.00 WT3 O ATOM 36497 H1 TIP3 465 50.810 4.171 -14.292 1.00 0.00 WT3 H ATOM 36498 H2 TIP3 465 49.505 3.413 -14.411 1.00 0.00 WT3 H ATOM 36499 OH2 TIP3 466 79.924 36.577 -2.517 1.00 0.00 WT3 O ATOM 36500 H1 TIP3 466 80.772 36.896 -2.828 1.00 0.00 WT3 H ATOM 36501 H2 TIP3 466 79.841 36.938 -1.634 1.00 0.00 WT3 H ATOM 36502 OH2 TIP3 467 80.802 56.334 -1.956 1.00 0.00 WT3 O ATOM 36503 H1 TIP3 467 80.616 56.819 -2.760 1.00 0.00 WT3 H ATOM 36504 H2 TIP3 467 80.734 56.988 -1.261 1.00 0.00 WT3 H ATOM 36505 OH2 TIP3 469 72.763 29.505 -13.635 1.00 0.00 WT3 O ATOM 36506 H1 TIP3 469 73.303 29.172 -12.918 1.00 0.00 WT3 H ATOM 36507 H2 TIP3 469 73.014 30.425 -13.716 1.00 0.00 WT3 H ATOM 36508 OH2 TIP3 473 30.928 82.065 44.684 1.00 0.00 WT3 O ATOM 36509 H1 TIP3 473 31.059 82.975 44.950 1.00 0.00 WT3 H ATOM 36510 H2 TIP3 473 31.696 81.859 44.150 1.00 0.00 WT3 H ATOM 36511 OH2 TIP3 474 21.554 56.739 18.476 1.00 0.00 WT3 O ATOM 36512 H1 TIP3 474 21.279 56.276 17.685 1.00 0.00 WT3 H ATOM 36513 H2 TIP3 474 21.800 56.046 19.087 1.00 0.00 WT3 H ATOM 36514 OH2 TIP3 478 34.697 94.404 11.052 1.00 0.00 WT3 O ATOM 36515 H1 TIP3 478 34.582 95.171 10.490 1.00 0.00 WT3 H ATOM 36516 H2 TIP3 478 35.047 94.757 11.870 1.00 0.00 WT3 H ATOM 36517 OH2 TIP3 479 74.776 70.118 -12.529 1.00 0.00 WT3 O ATOM 36518 H1 TIP3 479 74.177 69.599 -11.992 1.00 0.00 WT3 H ATOM 36519 H2 TIP3 479 75.358 70.542 -11.898 1.00 0.00 WT3 H ATOM 36520 OH2 TIP3 484 59.751 53.780 -7.622 1.00 0.00 WT3 O ATOM 36521 H1 TIP3 484 59.255 54.181 -6.908 1.00 0.00 WT3 H ATOM 36522 H2 TIP3 484 60.496 54.365 -7.756 1.00 0.00 WT3 H ATOM 36523 OH2 TIP3 485 75.239 20.181 44.439 1.00 0.00 WT3 O ATOM 36524 H1 TIP3 485 75.433 19.781 43.591 1.00 0.00 WT3 H ATOM 36525 H2 TIP3 485 75.886 19.807 45.036 1.00 0.00 WT3 H ATOM 36526 OH2 TIP3 486 30.704 44.467 35.994 1.00 0.00 WT3 O ATOM 36527 H1 TIP3 486 31.505 43.956 35.872 1.00 0.00 WT3 H ATOM 36528 H2 TIP3 486 30.257 44.040 36.725 1.00 0.00 WT3 H ATOM 36529 OH2 TIP3 487 80.655 86.012 -8.274 1.00 0.00 WT3 O ATOM 36530 H1 TIP3 487 80.650 86.407 -7.403 1.00 0.00 WT3 H ATOM 36531 H2 TIP3 487 80.825 86.743 -8.869 1.00 0.00 WT3 H ATOM 36532 OH2 TIP3 488 43.915 43.863 11.254 1.00 0.00 WT3 O ATOM 36533 H1 TIP3 488 44.337 43.551 12.054 1.00 0.00 WT3 H ATOM 36534 H2 TIP3 488 44.547 44.471 10.871 1.00 0.00 WT3 H ATOM 36535 OH2 TIP3 489 28.208 24.830 55.140 1.00 0.00 WT3 O ATOM 36536 H1 TIP3 489 28.275 23.969 55.551 1.00 0.00 WT3 H ATOM 36537 H2 TIP3 489 29.040 24.942 54.680 1.00 0.00 WT3 H ATOM 36538 OH2 TIP3 490 74.544 75.398 57.334 1.00 0.00 WT3 O ATOM 36539 H1 TIP3 490 74.881 75.490 56.443 1.00 0.00 WT3 H ATOM 36540 H2 TIP3 490 74.862 74.543 57.624 1.00 0.00 WT3 H ATOM 36541 OH2 TIP3 491 60.244 62.853 47.887 1.00 0.00 WT3 O ATOM 36542 H1 TIP3 491 60.768 62.824 47.087 1.00 0.00 WT3 H ATOM 36543 H2 TIP3 491 59.436 63.297 47.628 1.00 0.00 WT3 H ATOM 36544 OH2 TIP3 492 68.395 2.696 53.404 1.00 0.00 WT3 O ATOM 36545 H1 TIP3 492 69.287 2.930 53.149 1.00 0.00 WT3 H ATOM 36546 H2 TIP3 492 68.455 2.505 54.340 1.00 0.00 WT3 H ATOM 36547 OH2 TIP3 493 64.290 37.711 29.963 1.00 0.00 WT3 O ATOM 36548 H1 TIP3 493 63.659 38.119 29.371 1.00 0.00 WT3 H ATOM 36549 H2 TIP3 493 64.360 38.322 30.697 1.00 0.00 WT3 H ATOM 36550 OH2 TIP3 494 77.903 93.728 -14.609 1.00 0.00 WT3 O ATOM 36551 H1 TIP3 494 78.714 93.991 -15.044 1.00 0.00 WT3 H ATOM 36552 H2 TIP3 494 77.917 94.193 -13.773 1.00 0.00 WT3 H ATOM 36553 OH2 TIP3 495 46.250 21.554 4.119 1.00 0.00 WT3 O ATOM 36554 H1 TIP3 495 45.784 22.345 3.848 1.00 0.00 WT3 H ATOM 36555 H2 TIP3 495 47.126 21.652 3.747 1.00 0.00 WT3 H ATOM 36556 OH2 TIP3 497 87.189 79.827 59.829 1.00 0.00 WT3 O ATOM 36557 H1 TIP3 497 86.985 80.543 59.227 1.00 0.00 WT3 H ATOM 36558 H2 TIP3 497 87.041 80.197 60.699 1.00 0.00 WT3 H ATOM 36559 OH2 TIP3 498 55.669 33.995 -10.333 1.00 0.00 WT3 O ATOM 36560 H1 TIP3 498 56.425 34.132 -9.761 1.00 0.00 WT3 H ATOM 36561 H2 TIP3 498 55.730 34.696 -10.982 1.00 0.00 WT3 H ATOM 36562 OH2 TIP3 499 73.025 41.056 43.054 1.00 0.00 WT3 O ATOM 36563 H1 TIP3 499 73.115 41.289 42.130 1.00 0.00 WT3 H ATOM 36564 H2 TIP3 499 72.701 41.854 43.472 1.00 0.00 WT3 H ATOM 36565 OH2 TIP3 500 67.892 40.627 41.625 1.00 0.00 WT3 O ATOM 36566 H1 TIP3 500 66.959 40.597 41.416 1.00 0.00 WT3 H ATOM 36567 H2 TIP3 500 68.166 41.509 41.373 1.00 0.00 WT3 H ATOM 36568 OH2 TIP3 501 32.611 46.766 19.474 1.00 0.00 WT3 O ATOM 36569 H1 TIP3 501 32.380 47.638 19.793 1.00 0.00 WT3 H ATOM 36570 H2 TIP3 501 33.145 46.388 20.173 1.00 0.00 WT3 H ATOM 36571 OH2 TIP3 502 84.578 66.313 50.931 1.00 0.00 WT3 O ATOM 36572 H1 TIP3 502 84.067 65.504 50.927 1.00 0.00 WT3 H ATOM 36573 H2 TIP3 502 84.487 66.651 51.823 1.00 0.00 WT3 H ATOM 36574 OH2 TIP3 503 63.660 46.886 63.552 1.00 0.00 WT3 O ATOM 36575 H1 TIP3 503 63.419 47.653 63.033 1.00 0.00 WT3 H ATOM 36576 H2 TIP3 503 64.033 47.248 64.356 1.00 0.00 WT3 H ATOM 36577 OH2 TIP3 504 51.231 77.347 33.587 1.00 0.00 WT3 O ATOM 36578 H1 TIP3 504 51.305 76.430 33.323 1.00 0.00 WT3 H ATOM 36579 H2 TIP3 504 50.363 77.414 33.983 1.00 0.00 WT3 H ATOM 36580 OH2 TIP3 505 27.539 70.046 49.599 1.00 0.00 WT3 O ATOM 36581 H1 TIP3 505 27.669 69.753 48.697 1.00 0.00 WT3 H ATOM 36582 H2 TIP3 505 26.778 69.553 49.905 1.00 0.00 WT3 H ATOM 36583 OH2 TIP3 506 27.626 95.880 33.698 1.00 0.00 WT3 O ATOM 36584 H1 TIP3 506 28.151 96.655 33.895 1.00 0.00 WT3 H ATOM 36585 H2 TIP3 506 27.795 95.705 32.772 1.00 0.00 WT3 H ATOM 36586 OH2 TIP3 507 46.735 92.471 1.117 1.00 0.00 WT3 O ATOM 36587 H1 TIP3 507 47.117 92.905 1.881 1.00 0.00 WT3 H ATOM 36588 H2 TIP3 507 45.914 92.937 0.963 1.00 0.00 WT3 H ATOM 36589 OH2 TIP3 508 50.344 25.322 56.982 1.00 0.00 WT3 O ATOM 36590 H1 TIP3 508 50.489 24.913 56.129 1.00 0.00 WT3 H ATOM 36591 H2 TIP3 508 49.766 26.063 56.798 1.00 0.00 WT3 H ATOM 36592 OH2 TIP3 509 69.888 72.149 25.036 1.00 0.00 WT3 O ATOM 36593 H1 TIP3 509 69.846 71.538 24.301 1.00 0.00 WT3 H ATOM 36594 H2 TIP3 509 69.056 72.621 25.004 1.00 0.00 WT3 H ATOM 36595 OH2 TIP3 510 37.927 41.076 -15.691 1.00 0.00 WT3 O ATOM 36596 H1 TIP3 510 38.445 40.271 -15.681 1.00 0.00 WT3 H ATOM 36597 H2 TIP3 510 38.572 41.777 -15.597 1.00 0.00 WT3 H ATOM 36598 OH2 TIP3 511 90.329 46.953 58.242 1.00 0.00 WT3 O ATOM 36599 H1 TIP3 511 90.142 47.879 58.397 1.00 0.00 WT3 H ATOM 36600 H2 TIP3 511 89.530 46.499 58.512 1.00 0.00 WT3 H ATOM 36601 OH2 TIP3 512 90.585 1.901 -13.991 1.00 0.00 WT3 O ATOM 36602 H1 TIP3 512 89.679 2.035 -14.270 1.00 0.00 WT3 H ATOM 36603 H2 TIP3 512 90.592 2.152 -13.068 1.00 0.00 WT3 H ATOM 36604 OH2 TIP3 513 74.250 95.737 -9.350 1.00 0.00 WT3 O ATOM 36605 H1 TIP3 513 74.122 95.048 -8.698 1.00 0.00 WT3 H ATOM 36606 H2 TIP3 513 73.545 95.602 -9.983 1.00 0.00 WT3 H ATOM 36607 OH2 TIP3 514 78.576 79.657 33.313 1.00 0.00 WT3 O ATOM 36608 H1 TIP3 514 78.714 79.554 34.255 1.00 0.00 WT3 H ATOM 36609 H2 TIP3 514 79.011 80.481 33.095 1.00 0.00 WT3 H ATOM 36610 OH2 TIP3 515 74.960 49.871 36.291 1.00 0.00 WT3 O ATOM 36611 H1 TIP3 515 75.412 50.063 37.112 1.00 0.00 WT3 H ATOM 36612 H2 TIP3 515 74.127 50.336 36.361 1.00 0.00 WT3 H ATOM 36613 OH2 TIP3 516 25.020 95.175 36.768 1.00 0.00 WT3 O ATOM 36614 H1 TIP3 516 24.467 95.138 35.987 1.00 0.00 WT3 H ATOM 36615 H2 TIP3 516 24.442 95.505 37.456 1.00 0.00 WT3 H ATOM 36616 OH2 TIP3 517 69.467 74.699 63.231 1.00 0.00 WT3 O ATOM 36617 H1 TIP3 517 69.175 74.205 63.996 1.00 0.00 WT3 H ATOM 36618 H2 TIP3 517 69.183 74.174 62.483 1.00 0.00 WT3 H ATOM 36619 OH2 TIP3 518 75.602 84.329 11.669 1.00 0.00 WT3 O ATOM 36620 H1 TIP3 518 74.836 84.716 12.093 1.00 0.00 WT3 H ATOM 36621 H2 TIP3 518 76.072 83.888 12.377 1.00 0.00 WT3 H ATOM 36622 OH2 TIP3 519 29.904 56.615 -17.689 1.00 0.00 WT3 O ATOM 36623 H1 TIP3 519 28.984 56.853 -17.574 1.00 0.00 WT3 H ATOM 36624 H2 TIP3 519 30.390 57.377 -17.373 1.00 0.00 WT3 H ATOM 36625 OH2 TIP3 522 36.609 1.295 22.770 1.00 0.00 WT3 O ATOM 36626 H1 TIP3 522 35.959 0.871 22.210 1.00 0.00 WT3 H ATOM 36627 H2 TIP3 522 36.093 1.751 23.434 1.00 0.00 WT3 H ATOM 36628 OH2 TIP3 523 54.123 69.373 61.842 1.00 0.00 WT3 O ATOM 36629 H1 TIP3 523 54.514 68.499 61.843 1.00 0.00 WT3 H ATOM 36630 H2 TIP3 523 53.335 69.283 62.378 1.00 0.00 WT3 H ATOM 36631 OH2 TIP3 524 82.114 60.891 27.511 1.00 0.00 WT3 O ATOM 36632 H1 TIP3 524 82.078 60.553 26.616 1.00 0.00 WT3 H ATOM 36633 H2 TIP3 524 81.209 60.852 27.819 1.00 0.00 WT3 H ATOM 36634 OH2 TIP3 525 73.822 32.883 18.558 1.00 0.00 WT3 O ATOM 36635 H1 TIP3 525 72.888 32.799 18.366 1.00 0.00 WT3 H ATOM 36636 H2 TIP3 525 74.010 32.161 19.157 1.00 0.00 WT3 H ATOM 36637 OH2 TIP3 526 83.747 24.758 51.735 1.00 0.00 WT3 O ATOM 36638 H1 TIP3 526 84.003 24.660 50.818 1.00 0.00 WT3 H ATOM 36639 H2 TIP3 526 83.919 23.902 52.126 1.00 0.00 WT3 H ATOM 36640 OH2 TIP3 527 52.426 66.294 41.536 1.00 0.00 WT3 O ATOM 36641 H1 TIP3 527 52.600 65.628 40.870 1.00 0.00 WT3 H ATOM 36642 H2 TIP3 527 52.051 65.807 42.270 1.00 0.00 WT3 H ATOM 36643 OH2 TIP3 528 47.840 34.590 -16.362 1.00 0.00 WT3 O ATOM 36644 H1 TIP3 528 48.042 34.734 -17.286 1.00 0.00 WT3 H ATOM 36645 H2 TIP3 528 48.679 34.352 -15.968 1.00 0.00 WT3 H ATOM 36646 OH2 TIP3 529 90.086 93.669 55.138 1.00 0.00 WT3 O ATOM 36647 H1 TIP3 529 90.180 94.511 55.584 1.00 0.00 WT3 H ATOM 36648 H2 TIP3 529 90.904 93.560 54.654 1.00 0.00 WT3 H ATOM 36649 OH2 TIP3 530 32.956 37.961 22.526 1.00 0.00 WT3 O ATOM 36650 H1 TIP3 530 32.664 37.541 21.716 1.00 0.00 WT3 H ATOM 36651 H2 TIP3 530 33.823 37.591 22.689 1.00 0.00 WT3 H ATOM 36652 OH2 TIP3 532 52.660 5.951 21.470 1.00 0.00 WT3 O ATOM 36653 H1 TIP3 532 51.893 6.310 21.916 1.00 0.00 WT3 H ATOM 36654 H2 TIP3 532 52.974 6.668 20.919 1.00 0.00 WT3 H ATOM 36655 OH2 TIP3 533 77.588 53.109 -16.370 1.00 0.00 WT3 O ATOM 36656 H1 TIP3 533 77.920 52.218 -16.266 1.00 0.00 WT3 H ATOM 36657 H2 TIP3 533 77.286 53.356 -15.496 1.00 0.00 WT3 H ATOM 36658 OH2 TIP3 534 66.399 66.224 -16.451 1.00 0.00 WT3 O ATOM 36659 H1 TIP3 534 65.781 65.787 -15.864 1.00 0.00 WT3 H ATOM 36660 H2 TIP3 534 65.880 66.899 -16.887 1.00 0.00 WT3 H ATOM 36661 OH2 TIP3 535 20.532 61.814 9.282 1.00 0.00 WT3 O ATOM 36662 H1 TIP3 535 20.735 62.252 10.109 1.00 0.00 WT3 H ATOM 36663 H2 TIP3 535 20.578 60.880 9.488 1.00 0.00 WT3 H ATOM 36664 OH2 TIP3 536 49.817 1.172 19.342 1.00 0.00 WT3 O ATOM 36665 H1 TIP3 536 50.457 0.631 19.804 1.00 0.00 WT3 H ATOM 36666 H2 TIP3 536 50.309 1.559 18.617 1.00 0.00 WT3 H ATOM 36667 OH2 TIP3 538 40.152 36.008 63.046 1.00 0.00 WT3 O ATOM 36668 H1 TIP3 538 40.097 36.267 62.126 1.00 0.00 WT3 H ATOM 36669 H2 TIP3 538 41.051 35.696 63.153 1.00 0.00 WT3 H ATOM 36670 OH2 TIP3 539 25.577 72.077 28.065 1.00 0.00 WT3 O ATOM 36671 H1 TIP3 539 25.518 72.561 27.241 1.00 0.00 WT3 H ATOM 36672 H2 TIP3 539 25.837 71.193 27.807 1.00 0.00 WT3 H ATOM 36673 OH2 TIP3 540 61.347 71.322 39.048 1.00 0.00 WT3 O ATOM 36674 H1 TIP3 540 61.096 70.425 39.272 1.00 0.00 WT3 H ATOM 36675 H2 TIP3 540 61.241 71.811 39.865 1.00 0.00 WT3 H ATOM 36676 OH2 TIP3 541 23.245 68.844 2.956 1.00 0.00 WT3 O ATOM 36677 H1 TIP3 541 22.612 68.732 3.666 1.00 0.00 WT3 H ATOM 36678 H2 TIP3 541 23.991 68.302 3.213 1.00 0.00 WT3 H ATOM 36679 OH2 TIP3 542 86.266 74.685 63.148 1.00 0.00 WT3 O ATOM 36680 H1 TIP3 542 86.856 74.022 62.791 1.00 0.00 WT3 H ATOM 36681 H2 TIP3 542 85.476 74.618 62.612 1.00 0.00 WT3 H ATOM 36682 OH2 TIP3 543 66.450 20.663 -17.408 1.00 0.00 WT3 O ATOM 36683 H1 TIP3 543 67.131 20.521 -16.751 1.00 0.00 WT3 H ATOM 36684 H2 TIP3 543 66.928 20.767 -18.230 1.00 0.00 WT3 H ATOM 36685 OH2 TIP3 544 51.568 42.086 51.058 1.00 0.00 WT3 O ATOM 36686 H1 TIP3 544 50.672 42.252 50.764 1.00 0.00 WT3 H ATOM 36687 H2 TIP3 544 51.507 41.285 51.577 1.00 0.00 WT3 H ATOM 36688 OH2 TIP3 546 35.027 96.529 -13.337 1.00 0.00 WT3 O ATOM 36689 H1 TIP3 546 34.072 96.492 -13.404 1.00 0.00 WT3 H ATOM 36690 H2 TIP3 546 35.191 97.044 -12.547 1.00 0.00 WT3 H ATOM 36691 OH2 TIP3 547 70.435 25.802 48.954 1.00 0.00 WT3 O ATOM 36692 H1 TIP3 547 69.613 26.189 49.255 1.00 0.00 WT3 H ATOM 36693 H2 TIP3 547 70.257 25.532 48.053 1.00 0.00 WT3 H ATOM 36694 OH2 TIP3 549 55.850 42.608 60.701 1.00 0.00 WT3 O ATOM 36695 H1 TIP3 549 55.927 43.556 60.800 1.00 0.00 WT3 H ATOM 36696 H2 TIP3 549 56.451 42.249 61.354 1.00 0.00 WT3 H ATOM 36697 OH2 TIP3 550 52.487 65.116 16.858 1.00 0.00 WT3 O ATOM 36698 H1 TIP3 550 52.071 64.626 16.148 1.00 0.00 WT3 H ATOM 36699 H2 TIP3 550 53.387 64.790 16.879 1.00 0.00 WT3 H ATOM 36700 OH2 TIP3 551 47.999 55.640 42.950 1.00 0.00 WT3 O ATOM 36701 H1 TIP3 551 48.032 56.006 43.834 1.00 0.00 WT3 H ATOM 36702 H2 TIP3 551 47.147 55.911 42.609 1.00 0.00 WT3 H ATOM 36703 OH2 TIP3 552 48.641 70.737 -14.698 1.00 0.00 WT3 O ATOM 36704 H1 TIP3 552 48.970 69.873 -14.450 1.00 0.00 WT3 H ATOM 36705 H2 TIP3 552 47.729 70.583 -14.947 1.00 0.00 WT3 H ATOM 36706 OH2 TIP3 553 85.099 10.632 -13.339 1.00 0.00 WT3 O ATOM 36707 H1 TIP3 553 85.025 9.949 -12.672 1.00 0.00 WT3 H ATOM 36708 H2 TIP3 553 84.245 11.064 -13.335 1.00 0.00 WT3 H ATOM 36709 OH2 TIP3 554 61.616 69.899 -4.419 1.00 0.00 WT3 O ATOM 36710 H1 TIP3 554 61.003 69.186 -4.602 1.00 0.00 WT3 H ATOM 36711 H2 TIP3 554 62.481 69.510 -4.549 1.00 0.00 WT3 H ATOM 36712 OH2 TIP3 555 32.824 46.937 29.212 1.00 0.00 WT3 O ATOM 36713 H1 TIP3 555 33.336 46.550 29.922 1.00 0.00 WT3 H ATOM 36714 H2 TIP3 555 33.459 47.441 28.704 1.00 0.00 WT3 H ATOM 36715 OH2 TIP3 556 22.791 95.446 25.141 1.00 0.00 WT3 O ATOM 36716 H1 TIP3 556 22.912 96.383 25.296 1.00 0.00 WT3 H ATOM 36717 H2 TIP3 556 23.295 95.268 24.346 1.00 0.00 WT3 H ATOM 36718 OH2 TIP3 558 81.540 47.034 33.124 1.00 0.00 WT3 O ATOM 36719 H1 TIP3 558 82.247 47.679 33.102 1.00 0.00 WT3 H ATOM 36720 H2 TIP3 558 81.983 46.196 33.255 1.00 0.00 WT3 H ATOM 36721 OH2 TIP3 559 84.486 51.545 -0.032 1.00 0.00 WT3 O ATOM 36722 H1 TIP3 559 84.276 51.836 0.856 1.00 0.00 WT3 H ATOM 36723 H2 TIP3 559 84.408 52.335 -0.568 1.00 0.00 WT3 H ATOM 36724 OH2 TIP3 560 34.361 88.670 42.327 1.00 0.00 WT3 O ATOM 36725 H1 TIP3 560 33.939 88.360 43.128 1.00 0.00 WT3 H ATOM 36726 H2 TIP3 560 34.752 87.885 41.943 1.00 0.00 WT3 H ATOM 36727 OH2 TIP3 561 44.852 76.012 13.413 1.00 0.00 WT3 O ATOM 36728 H1 TIP3 561 45.049 75.086 13.274 1.00 0.00 WT3 H ATOM 36729 H2 TIP3 561 45.577 76.334 13.948 1.00 0.00 WT3 H ATOM 36730 OH2 TIP3 562 23.326 26.766 -8.601 1.00 0.00 WT3 O ATOM 36731 H1 TIP3 562 23.189 27.506 -8.010 1.00 0.00 WT3 H ATOM 36732 H2 TIP3 562 23.836 26.140 -8.086 1.00 0.00 WT3 H ATOM 36733 OH2 TIP3 563 45.829 87.195 0.862 1.00 0.00 WT3 O ATOM 36734 H1 TIP3 563 45.926 88.145 0.921 1.00 0.00 WT3 H ATOM 36735 H2 TIP3 563 46.633 86.897 0.436 1.00 0.00 WT3 H ATOM 36736 OH2 TIP3 564 52.074 88.100 15.227 1.00 0.00 WT3 O ATOM 36737 H1 TIP3 564 51.921 87.400 15.862 1.00 0.00 WT3 H ATOM 36738 H2 TIP3 564 52.760 87.758 14.654 1.00 0.00 WT3 H ATOM 36739 OH2 TIP3 565 90.028 4.757 -3.303 1.00 0.00 WT3 O ATOM 36740 H1 TIP3 565 90.778 4.726 -2.709 1.00 0.00 WT3 H ATOM 36741 H2 TIP3 565 90.243 5.452 -3.925 1.00 0.00 WT3 H ATOM 36742 OH2 TIP3 568 71.333 52.519 24.006 1.00 0.00 WT3 O ATOM 36743 H1 TIP3 568 70.651 52.444 23.339 1.00 0.00 WT3 H ATOM 36744 H2 TIP3 568 70.869 52.800 24.795 1.00 0.00 WT3 H ATOM 36745 OH2 TIP3 569 75.287 29.483 31.321 1.00 0.00 WT3 O ATOM 36746 H1 TIP3 569 75.792 28.985 30.678 1.00 0.00 WT3 H ATOM 36747 H2 TIP3 569 75.927 30.065 31.731 1.00 0.00 WT3 H ATOM 36748 OH2 TIP3 571 41.124 1.488 -10.095 1.00 0.00 WT3 O ATOM 36749 H1 TIP3 571 40.392 1.502 -10.710 1.00 0.00 WT3 H ATOM 36750 H2 TIP3 571 41.129 2.363 -9.707 1.00 0.00 WT3 H ATOM 36751 OH2 TIP3 572 36.326 94.014 41.398 1.00 0.00 WT3 O ATOM 36752 H1 TIP3 572 35.512 93.585 41.660 1.00 0.00 WT3 H ATOM 36753 H2 TIP3 572 36.891 93.298 41.105 1.00 0.00 WT3 H ATOM 36754 OH2 TIP3 573 52.618 89.710 28.561 1.00 0.00 WT3 O ATOM 36755 H1 TIP3 573 52.643 89.512 27.625 1.00 0.00 WT3 H ATOM 36756 H2 TIP3 573 52.208 90.574 28.612 1.00 0.00 WT3 H ATOM 36757 OH2 TIP3 574 53.617 16.019 31.387 1.00 0.00 WT3 O ATOM 36758 H1 TIP3 574 53.315 15.126 31.555 1.00 0.00 WT3 H ATOM 36759 H2 TIP3 574 52.884 16.574 31.653 1.00 0.00 WT3 H ATOM 36760 OH2 TIP3 575 88.139 67.744 18.203 1.00 0.00 WT3 O ATOM 36761 H1 TIP3 575 88.120 67.066 17.527 1.00 0.00 WT3 H ATOM 36762 H2 TIP3 575 87.287 68.174 18.135 1.00 0.00 WT3 H ATOM 36763 OH2 TIP3 576 52.836 94.910 17.876 1.00 0.00 WT3 O ATOM 36764 H1 TIP3 576 52.750 94.531 17.002 1.00 0.00 WT3 H ATOM 36765 H2 TIP3 576 53.478 95.612 17.771 1.00 0.00 WT3 H ATOM 36766 OH2 TIP3 577 56.696 35.860 59.813 1.00 0.00 WT3 O ATOM 36767 H1 TIP3 577 56.294 36.697 59.580 1.00 0.00 WT3 H ATOM 36768 H2 TIP3 577 56.076 35.457 60.421 1.00 0.00 WT3 H ATOM 36769 OH2 TIP3 578 26.262 69.492 53.817 1.00 0.00 WT3 O ATOM 36770 H1 TIP3 578 26.236 70.117 54.542 1.00 0.00 WT3 H ATOM 36771 H2 TIP3 578 26.078 70.019 53.040 1.00 0.00 WT3 H ATOM 36772 OH2 TIP3 579 38.460 66.616 -7.009 1.00 0.00 WT3 O ATOM 36773 H1 TIP3 579 38.301 66.644 -6.066 1.00 0.00 WT3 H ATOM 36774 H2 TIP3 579 38.346 67.521 -7.299 1.00 0.00 WT3 H ATOM 36775 OH2 TIP3 580 57.844 4.601 3.053 1.00 0.00 WT3 O ATOM 36776 H1 TIP3 580 57.553 4.495 3.958 1.00 0.00 WT3 H ATOM 36777 H2 TIP3 580 58.783 4.415 3.079 1.00 0.00 WT3 H ATOM 36778 OH2 TIP3 581 48.288 27.439 66.529 1.00 0.00 WT3 O ATOM 36779 H1 TIP3 581 48.133 27.955 67.319 1.00 0.00 WT3 H ATOM 36780 H2 TIP3 581 48.894 27.968 66.011 1.00 0.00 WT3 H ATOM 36781 OH2 TIP3 582 67.770 10.034 53.835 1.00 0.00 WT3 O ATOM 36782 H1 TIP3 582 67.680 9.628 54.697 1.00 0.00 WT3 H ATOM 36783 H2 TIP3 582 68.265 10.837 53.998 1.00 0.00 WT3 H ATOM 36784 OH2 TIP3 583 87.210 3.269 -4.469 1.00 0.00 WT3 O ATOM 36785 H1 TIP3 583 86.284 3.336 -4.237 1.00 0.00 WT3 H ATOM 36786 H2 TIP3 583 87.240 3.484 -5.401 1.00 0.00 WT3 H ATOM 36787 OH2 TIP3 584 42.465 90.735 65.561 1.00 0.00 WT3 O ATOM 36788 H1 TIP3 584 43.264 91.101 65.939 1.00 0.00 WT3 H ATOM 36789 H2 TIP3 584 42.623 90.737 64.617 1.00 0.00 WT3 H ATOM 36790 OH2 TIP3 585 34.072 76.796 24.695 1.00 0.00 WT3 O ATOM 36791 H1 TIP3 585 33.204 77.172 24.843 1.00 0.00 WT3 H ATOM 36792 H2 TIP3 585 34.651 77.295 25.270 1.00 0.00 WT3 H ATOM 36793 OH2 TIP3 586 45.578 50.756 -17.396 1.00 0.00 WT3 O ATOM 36794 H1 TIP3 586 45.413 50.103 -16.716 1.00 0.00 WT3 H ATOM 36795 H2 TIP3 586 44.946 51.453 -17.218 1.00 0.00 WT3 H ATOM 36796 OH2 TIP3 587 42.379 71.030 17.430 1.00 0.00 WT3 O ATOM 36797 H1 TIP3 587 43.211 70.574 17.559 1.00 0.00 WT3 H ATOM 36798 H2 TIP3 587 41.940 70.536 16.738 1.00 0.00 WT3 H ATOM 36799 OH2 TIP3 590 30.346 69.348 52.180 1.00 0.00 WT3 O ATOM 36800 H1 TIP3 590 30.441 69.215 51.237 1.00 0.00 WT3 H ATOM 36801 H2 TIP3 590 29.423 69.165 52.356 1.00 0.00 WT3 H ATOM 36802 OH2 TIP3 591 35.317 21.734 -9.459 1.00 0.00 WT3 O ATOM 36803 H1 TIP3 591 34.411 21.879 -9.735 1.00 0.00 WT3 H ATOM 36804 H2 TIP3 591 35.817 22.411 -9.915 1.00 0.00 WT3 H ATOM 36805 OH2 TIP3 592 57.560 52.288 60.257 1.00 0.00 WT3 O ATOM 36806 H1 TIP3 592 56.832 51.863 60.711 1.00 0.00 WT3 H ATOM 36807 H2 TIP3 592 57.220 52.478 59.383 1.00 0.00 WT3 H ATOM 36808 OH2 TIP3 593 22.385 45.293 52.109 1.00 0.00 WT3 O ATOM 36809 H1 TIP3 593 23.336 45.383 52.164 1.00 0.00 WT3 H ATOM 36810 H2 TIP3 593 22.114 45.976 51.496 1.00 0.00 WT3 H ATOM 36811 OH2 TIP3 594 84.086 48.434 29.906 1.00 0.00 WT3 O ATOM 36812 H1 TIP3 594 83.757 48.928 29.155 1.00 0.00 WT3 H ATOM 36813 H2 TIP3 594 83.329 48.346 30.485 1.00 0.00 WT3 H ATOM 36814 OH2 TIP3 595 44.579 87.695 49.306 1.00 0.00 WT3 O ATOM 36815 H1 TIP3 595 44.028 86.916 49.231 1.00 0.00 WT3 H ATOM 36816 H2 TIP3 595 45.357 87.488 48.788 1.00 0.00 WT3 H ATOM 36817 OH2 TIP3 597 40.726 77.291 26.377 1.00 0.00 WT3 O ATOM 36818 H1 TIP3 597 40.860 78.238 26.396 1.00 0.00 WT3 H ATOM 36819 H2 TIP3 597 41.603 76.922 26.475 1.00 0.00 WT3 H ATOM 36820 OH2 TIP3 598 40.126 8.081 19.972 1.00 0.00 WT3 O ATOM 36821 H1 TIP3 598 39.438 8.609 19.567 1.00 0.00 WT3 H ATOM 36822 H2 TIP3 598 40.382 8.575 20.750 1.00 0.00 WT3 H ATOM 36823 OH2 TIP3 599 41.012 73.794 15.342 1.00 0.00 WT3 O ATOM 36824 H1 TIP3 599 41.813 74.297 15.199 1.00 0.00 WT3 H ATOM 36825 H2 TIP3 599 41.014 73.600 16.279 1.00 0.00 WT3 H ATOM 36826 OH2 TIP3 601 24.400 0.481 61.242 1.00 0.00 WT3 O ATOM 36827 H1 TIP3 601 24.762 -0.141 60.611 1.00 0.00 WT3 H ATOM 36828 H2 TIP3 601 25.074 1.154 61.329 1.00 0.00 WT3 H ATOM 36829 OH2 TIP3 602 47.182 1.666 -5.114 1.00 0.00 WT3 O ATOM 36830 H1 TIP3 602 46.674 1.005 -4.643 1.00 0.00 WT3 H ATOM 36831 H2 TIP3 602 48.073 1.567 -4.777 1.00 0.00 WT3 H ATOM 36832 OH2 TIP3 603 38.476 15.577 55.713 1.00 0.00 WT3 O ATOM 36833 H1 TIP3 603 38.840 16.004 56.489 1.00 0.00 WT3 H ATOM 36834 H2 TIP3 603 39.237 15.212 55.261 1.00 0.00 WT3 H ATOM 36835 OH2 TIP3 604 79.850 19.609 61.039 1.00 0.00 WT3 O ATOM 36836 H1 TIP3 604 80.440 19.846 61.755 1.00 0.00 WT3 H ATOM 36837 H2 TIP3 604 79.352 20.407 60.864 1.00 0.00 WT3 H ATOM 36838 OH2 TIP3 605 85.374 48.175 55.894 1.00 0.00 WT3 O ATOM 36839 H1 TIP3 605 86.026 48.582 56.465 1.00 0.00 WT3 H ATOM 36840 H2 TIP3 605 85.793 48.146 55.034 1.00 0.00 WT3 H ATOM 36841 OH2 TIP3 606 20.833 53.196 54.420 1.00 0.00 WT3 O ATOM 36842 H1 TIP3 606 20.289 52.929 55.161 1.00 0.00 WT3 H ATOM 36843 H2 TIP3 606 20.661 54.132 54.321 1.00 0.00 WT3 H ATOM 36844 OH2 TIP3 607 78.409 66.943 42.640 1.00 0.00 WT3 O ATOM 36845 H1 TIP3 607 77.536 66.856 42.256 1.00 0.00 WT3 H ATOM 36846 H2 TIP3 607 79.009 66.775 41.913 1.00 0.00 WT3 H ATOM 36847 OH2 TIP3 609 25.607 75.899 53.094 1.00 0.00 WT3 O ATOM 36848 H1 TIP3 609 26.171 75.876 53.867 1.00 0.00 WT3 H ATOM 36849 H2 TIP3 609 26.067 75.366 52.446 1.00 0.00 WT3 H ATOM 36850 OH2 TIP3 612 77.611 9.939 57.036 1.00 0.00 WT3 O ATOM 36851 H1 TIP3 612 77.592 9.042 56.701 1.00 0.00 WT3 H ATOM 36852 H2 TIP3 612 77.713 10.484 56.257 1.00 0.00 WT3 H ATOM 36853 OH2 TIP3 613 21.575 4.921 -19.721 1.00 0.00 WT3 O ATOM 36854 H1 TIP3 613 21.255 4.523 -18.912 1.00 0.00 WT3 H ATOM 36855 H2 TIP3 613 21.015 4.556 -20.406 1.00 0.00 WT3 H ATOM 36856 OH2 TIP3 615 47.690 73.660 53.088 1.00 0.00 WT3 O ATOM 36857 H1 TIP3 615 46.907 73.412 52.597 1.00 0.00 WT3 H ATOM 36858 H2 TIP3 615 47.358 74.166 53.830 1.00 0.00 WT3 H ATOM 36859 OH2 TIP3 617 34.806 1.504 64.952 1.00 0.00 WT3 O ATOM 36860 H1 TIP3 617 34.529 2.235 65.504 1.00 0.00 WT3 H ATOM 36861 H2 TIP3 617 35.355 1.906 64.279 1.00 0.00 WT3 H ATOM 36862 OH2 TIP3 618 46.448 15.075 25.130 1.00 0.00 WT3 O ATOM 36863 H1 TIP3 618 46.866 14.916 25.976 1.00 0.00 WT3 H ATOM 36864 H2 TIP3 618 46.383 16.028 25.069 1.00 0.00 WT3 H ATOM 36865 OH2 TIP3 620 65.526 50.297 14.225 1.00 0.00 WT3 O ATOM 36866 H1 TIP3 620 64.670 50.722 14.282 1.00 0.00 WT3 H ATOM 36867 H2 TIP3 620 65.549 49.703 14.976 1.00 0.00 WT3 H ATOM 36868 OH2 TIP3 621 72.056 46.960 60.057 1.00 0.00 WT3 O ATOM 36869 H1 TIP3 621 72.135 47.390 60.909 1.00 0.00 WT3 H ATOM 36870 H2 TIP3 621 72.603 47.485 59.472 1.00 0.00 WT3 H ATOM 36871 OH2 TIP3 623 23.484 17.107 39.992 1.00 0.00 WT3 O ATOM 36872 H1 TIP3 623 22.979 16.491 39.461 1.00 0.00 WT3 H ATOM 36873 H2 TIP3 623 24.100 16.557 40.477 1.00 0.00 WT3 H ATOM 36874 OH2 TIP3 624 77.055 76.273 63.501 1.00 0.00 WT3 O ATOM 36875 H1 TIP3 624 77.768 76.168 64.131 1.00 0.00 WT3 H ATOM 36876 H2 TIP3 624 77.452 76.737 62.763 1.00 0.00 WT3 H ATOM 36877 OH2 TIP3 625 82.157 81.237 53.737 1.00 0.00 WT3 O ATOM 36878 H1 TIP3 625 82.722 81.517 53.017 1.00 0.00 WT3 H ATOM 36879 H2 TIP3 625 82.618 81.519 54.527 1.00 0.00 WT3 H ATOM 36880 OH2 TIP3 626 77.757 55.517 17.606 1.00 0.00 WT3 O ATOM 36881 H1 TIP3 626 78.635 55.758 17.901 1.00 0.00 WT3 H ATOM 36882 H2 TIP3 626 77.177 55.825 18.303 1.00 0.00 WT3 H ATOM 36883 OH2 TIP3 627 32.723 87.674 20.526 1.00 0.00 WT3 O ATOM 36884 H1 TIP3 627 32.867 86.867 21.020 1.00 0.00 WT3 H ATOM 36885 H2 TIP3 627 33.267 88.326 20.968 1.00 0.00 WT3 H ATOM 36886 OH2 TIP3 628 64.589 88.200 24.078 1.00 0.00 WT3 O ATOM 36887 H1 TIP3 628 64.679 88.825 24.797 1.00 0.00 WT3 H ATOM 36888 H2 TIP3 628 63.718 87.822 24.195 1.00 0.00 WT3 H ATOM 36889 OH2 TIP3 630 50.317 88.987 66.493 1.00 0.00 WT3 O ATOM 36890 H1 TIP3 630 51.185 88.822 66.125 1.00 0.00 WT3 H ATOM 36891 H2 TIP3 630 50.400 88.754 67.418 1.00 0.00 WT3 H ATOM 36892 OH2 TIP3 632 63.731 78.677 -17.064 1.00 0.00 WT3 O ATOM 36893 H1 TIP3 632 63.521 79.258 -17.795 1.00 0.00 WT3 H ATOM 36894 H2 TIP3 632 64.070 77.884 -17.479 1.00 0.00 WT3 H ATOM 36895 OH2 TIP3 634 33.424 55.731 12.878 1.00 0.00 WT3 O ATOM 36896 H1 TIP3 634 33.535 56.012 11.970 1.00 0.00 WT3 H ATOM 36897 H2 TIP3 634 34.259 55.938 13.298 1.00 0.00 WT3 H ATOM 36898 OH2 TIP3 635 32.283 52.419 5.081 1.00 0.00 WT3 O ATOM 36899 H1 TIP3 635 32.768 52.761 4.330 1.00 0.00 WT3 H ATOM 36900 H2 TIP3 635 31.876 51.615 4.759 1.00 0.00 WT3 H ATOM 36901 OH2 TIP3 638 59.008 14.408 20.238 1.00 0.00 WT3 O ATOM 36902 H1 TIP3 638 58.929 14.800 19.369 1.00 0.00 WT3 H ATOM 36903 H2 TIP3 638 59.931 14.165 20.309 1.00 0.00 WT3 H ATOM 36904 OH2 TIP3 639 86.337 33.754 -2.753 1.00 0.00 WT3 O ATOM 36905 H1 TIP3 639 86.650 33.994 -1.881 1.00 0.00 WT3 H ATOM 36906 H2 TIP3 639 85.843 34.518 -3.049 1.00 0.00 WT3 H ATOM 36907 OH2 TIP3 640 87.163 20.012 66.608 1.00 0.00 WT3 O ATOM 36908 H1 TIP3 640 87.417 19.857 65.698 1.00 0.00 WT3 H ATOM 36909 H2 TIP3 640 87.584 19.305 67.098 1.00 0.00 WT3 H ATOM 36910 OH2 TIP3 643 22.022 58.035 24.364 1.00 0.00 WT3 O ATOM 36911 H1 TIP3 643 22.798 58.159 23.818 1.00 0.00 WT3 H ATOM 36912 H2 TIP3 643 21.387 57.613 23.786 1.00 0.00 WT3 H ATOM 36913 OH2 TIP3 644 31.682 73.905 6.976 1.00 0.00 WT3 O ATOM 36914 H1 TIP3 644 31.151 74.032 7.762 1.00 0.00 WT3 H ATOM 36915 H2 TIP3 644 31.556 74.707 6.468 1.00 0.00 WT3 H ATOM 36916 OH2 TIP3 647 73.025 57.069 31.244 1.00 0.00 WT3 O ATOM 36917 H1 TIP3 647 72.196 57.542 31.322 1.00 0.00 WT3 H ATOM 36918 H2 TIP3 647 72.786 56.148 31.350 1.00 0.00 WT3 H ATOM 36919 OH2 TIP3 648 76.804 93.406 13.695 1.00 0.00 WT3 O ATOM 36920 H1 TIP3 648 77.273 93.198 12.887 1.00 0.00 WT3 H ATOM 36921 H2 TIP3 648 76.910 92.627 14.241 1.00 0.00 WT3 H ATOM 36922 OH2 TIP3 649 38.350 90.663 1.623 1.00 0.00 WT3 O ATOM 36923 H1 TIP3 649 38.161 90.608 0.686 1.00 0.00 WT3 H ATOM 36924 H2 TIP3 649 39.033 91.330 1.691 1.00 0.00 WT3 H ATOM 36925 OH2 TIP3 650 77.547 74.745 31.950 1.00 0.00 WT3 O ATOM 36926 H1 TIP3 650 77.394 74.222 31.163 1.00 0.00 WT3 H ATOM 36927 H2 TIP3 650 77.558 75.650 31.638 1.00 0.00 WT3 H ATOM 36928 OH2 TIP3 651 61.131 78.774 -19.747 1.00 0.00 WT3 O ATOM 36929 H1 TIP3 651 62.054 78.950 -19.928 1.00 0.00 WT3 H ATOM 36930 H2 TIP3 651 61.144 78.127 -19.042 1.00 0.00 WT3 H ATOM 36931 OH2 TIP3 655 54.760 52.806 53.283 1.00 0.00 WT3 O ATOM 36932 H1 TIP3 655 54.810 51.894 52.995 1.00 0.00 WT3 H ATOM 36933 H2 TIP3 655 54.910 53.318 52.489 1.00 0.00 WT3 H ATOM 36934 OH2 TIP3 656 37.592 21.020 -7.682 1.00 0.00 WT3 O ATOM 36935 H1 TIP3 656 36.963 21.201 -8.380 1.00 0.00 WT3 H ATOM 36936 H2 TIP3 656 38.447 21.096 -8.104 1.00 0.00 WT3 H ATOM 36937 OH2 TIP3 659 25.970 69.189 -7.603 1.00 0.00 WT3 O ATOM 36938 H1 TIP3 659 25.167 68.845 -7.210 1.00 0.00 WT3 H ATOM 36939 H2 TIP3 659 26.080 70.053 -7.206 1.00 0.00 WT3 H ATOM 36940 OH2 TIP3 660 20.005 74.073 5.370 1.00 0.00 WT3 O ATOM 36941 H1 TIP3 660 20.339 74.040 4.474 1.00 0.00 WT3 H ATOM 36942 H2 TIP3 660 20.788 74.058 5.920 1.00 0.00 WT3 H ATOM 36943 OH2 TIP3 662 58.306 14.971 -8.244 1.00 0.00 WT3 O ATOM 36944 H1 TIP3 662 58.809 15.785 -8.265 1.00 0.00 WT3 H ATOM 36945 H2 TIP3 662 58.492 14.596 -7.383 1.00 0.00 WT3 H ATOM 36946 OH2 TIP3 664 24.206 43.758 21.584 1.00 0.00 WT3 O ATOM 36947 H1 TIP3 664 24.101 44.439 22.249 1.00 0.00 WT3 H ATOM 36948 H2 TIP3 664 23.842 42.970 21.988 1.00 0.00 WT3 H ATOM 36949 OH2 TIP3 666 83.311 53.400 54.188 1.00 0.00 WT3 O ATOM 36950 H1 TIP3 666 83.274 52.912 55.011 1.00 0.00 WT3 H ATOM 36951 H2 TIP3 666 82.411 53.688 54.040 1.00 0.00 WT3 H ATOM 36952 OH2 TIP3 668 83.775 89.510 19.846 1.00 0.00 WT3 O ATOM 36953 H1 TIP3 668 82.878 89.203 19.978 1.00 0.00 WT3 H ATOM 36954 H2 TIP3 668 84.068 89.060 19.053 1.00 0.00 WT3 H ATOM 36955 OH2 TIP3 669 24.746 88.405 5.661 1.00 0.00 WT3 O ATOM 36956 H1 TIP3 669 24.585 87.536 6.028 1.00 0.00 WT3 H ATOM 36957 H2 TIP3 669 24.228 88.996 6.208 1.00 0.00 WT3 H ATOM 36958 OH2 TIP3 670 49.106 18.665 -6.801 1.00 0.00 WT3 O ATOM 36959 H1 TIP3 670 48.784 18.541 -5.909 1.00 0.00 WT3 H ATOM 36960 H2 TIP3 670 48.921 17.836 -7.242 1.00 0.00 WT3 H ATOM 36961 OH2 TIP3 679 22.545 14.114 -8.767 1.00 0.00 WT3 O ATOM 36962 H1 TIP3 679 21.968 14.638 -9.323 1.00 0.00 WT3 H ATOM 36963 H2 TIP3 679 22.016 13.909 -7.997 1.00 0.00 WT3 H ATOM 36964 OH2 TIP3 682 76.163 95.868 30.519 1.00 0.00 WT3 O ATOM 36965 H1 TIP3 682 75.962 96.800 30.426 1.00 0.00 WT3 H ATOM 36966 H2 TIP3 682 75.824 95.635 31.383 1.00 0.00 WT3 H ATOM 36967 OH2 TIP3 695 67.449 83.408 17.474 1.00 0.00 WT3 O ATOM 36968 H1 TIP3 695 68.057 83.987 17.933 1.00 0.00 WT3 H ATOM 36969 H2 TIP3 695 67.007 82.922 18.170 1.00 0.00 WT3 H ATOM 36970 OH2 TIP3 697 37.019 32.763 -5.207 1.00 0.00 WT3 O ATOM 36971 H1 TIP3 697 36.728 33.153 -6.032 1.00 0.00 WT3 H ATOM 36972 H2 TIP3 697 36.287 32.209 -4.934 1.00 0.00 WT3 H ATOM 36973 OH2 TIP3 711 43.840 80.350 53.489 1.00 0.00 WT3 O ATOM 36974 H1 TIP3 711 44.378 80.471 54.272 1.00 0.00 WT3 H ATOM 36975 H2 TIP3 711 43.993 79.441 53.231 1.00 0.00 WT3 H ATOM 36976 OH2 TIP3 713 35.984 62.275 34.165 1.00 0.00 WT3 O ATOM 36977 H1 TIP3 713 36.219 61.347 34.153 1.00 0.00 WT3 H ATOM 36978 H2 TIP3 713 35.657 62.451 33.283 1.00 0.00 WT3 H ATOM 36979 OH2 TIP3 758 55.136 21.791 -13.374 1.00 0.00 WT3 O ATOM 36980 H1 TIP3 758 54.803 21.207 -12.693 1.00 0.00 WT3 H ATOM 36981 H2 TIP3 758 55.589 22.485 -12.895 1.00 0.00 WT3 H ATOM 36982 OH2 TIP3 805 32.118 66.559 58.200 1.00 0.00 WT3 O ATOM 36983 H1 TIP3 805 31.461 65.906 58.443 1.00 0.00 WT3 H ATOM 36984 H2 TIP3 805 31.887 66.809 57.305 1.00 0.00 WT3 H ATOM 36985 OH2 TIP3 821 44.326 65.297 49.535 1.00 0.00 WT3 O ATOM 36986 H1 TIP3 821 43.821 65.986 49.102 1.00 0.00 WT3 H ATOM 36987 H2 TIP3 821 45.174 65.307 49.093 1.00 0.00 WT3 H ATOM 36988 OH2 TIP3 822 64.172 88.582 9.853 1.00 0.00 WT3 O ATOM 36989 H1 TIP3 822 63.925 88.277 8.980 1.00 0.00 WT3 H ATOM 36990 H2 TIP3 822 63.401 88.413 10.394 1.00 0.00 WT3 H ATOM 36991 OH2 TIP3 825 88.782 56.430 18.089 1.00 0.00 WT3 O ATOM 36992 H1 TIP3 825 88.005 55.873 18.127 1.00 0.00 WT3 H ATOM 36993 H2 TIP3 825 88.448 57.318 18.220 1.00 0.00 WT3 H ATOM 36994 OH2 TIP3 835 39.334 5.367 20.164 1.00 0.00 WT3 O ATOM 36995 H1 TIP3 835 39.465 5.293 19.219 1.00 0.00 WT3 H ATOM 36996 H2 TIP3 835 39.629 6.252 20.379 1.00 0.00 WT3 H ATOM 36997 OH2 TIP3 836 38.699 24.287 -11.802 1.00 0.00 WT3 O ATOM 36998 H1 TIP3 836 39.637 24.101 -11.836 1.00 0.00 WT3 H ATOM 36999 H2 TIP3 836 38.636 25.122 -11.340 1.00 0.00 WT3 H ATOM 37000 OH2 TIP3 848 81.776 27.234 26.343 1.00 0.00 WT3 O ATOM 37001 H1 TIP3 848 81.803 27.867 27.060 1.00 0.00 WT3 H ATOM 37002 H2 TIP3 848 81.755 26.381 26.776 1.00 0.00 WT3 H ATOM 37003 OH2 TIP3 849 27.197 81.239 12.110 1.00 0.00 WT3 O ATOM 37004 H1 TIP3 849 27.622 81.919 12.635 1.00 0.00 WT3 H ATOM 37005 H2 TIP3 849 27.867 80.969 11.482 1.00 0.00 WT3 H ATOM 37006 OH2 TIP3 852 68.428 11.214 58.596 1.00 0.00 WT3 O ATOM 37007 H1 TIP3 852 67.927 11.283 57.784 1.00 0.00 WT3 H ATOM 37008 H2 TIP3 852 67.821 10.815 59.219 1.00 0.00 WT3 H ATOM 37009 OH2 TIP3 854 24.417 71.593 0.773 1.00 0.00 WT3 O ATOM 37010 H1 TIP3 854 23.771 71.845 1.433 1.00 0.00 WT3 H ATOM 37011 H2 TIP3 854 24.961 70.937 1.209 1.00 0.00 WT3 H ATOM 37012 OH2 TIP3 855 37.936 88.770 39.808 1.00 0.00 WT3 O ATOM 37013 H1 TIP3 855 38.741 88.447 40.213 1.00 0.00 WT3 H ATOM 37014 H2 TIP3 855 37.737 89.579 40.280 1.00 0.00 WT3 H ATOM 37015 OH2 TIP3 858 86.991 42.174 3.004 1.00 0.00 WT3 O ATOM 37016 H1 TIP3 858 87.264 42.763 2.301 1.00 0.00 WT3 H ATOM 37017 H2 TIP3 858 86.074 41.980 2.813 1.00 0.00 WT3 H ATOM 37018 OH2 TIP3 860 24.107 87.205 54.649 1.00 0.00 WT3 O ATOM 37019 H1 TIP3 860 24.084 86.447 55.232 1.00 0.00 WT3 H ATOM 37020 H2 TIP3 860 24.960 87.152 54.219 1.00 0.00 WT3 H ATOM 37021 OH2 TIP3 866 72.158 12.973 -10.276 1.00 0.00 WT3 O ATOM 37022 H1 TIP3 866 72.028 12.762 -9.352 1.00 0.00 WT3 H ATOM 37023 H2 TIP3 866 71.294 12.861 -10.672 1.00 0.00 WT3 H ATOM 37024 OH2 TIP3 867 21.587 60.670 53.864 1.00 0.00 WT3 O ATOM 37025 H1 TIP3 867 21.198 60.785 52.997 1.00 0.00 WT3 H ATOM 37026 H2 TIP3 867 22.218 59.960 53.752 1.00 0.00 WT3 H ATOM 37027 OH2 TIP3 879 57.336 25.588 43.171 1.00 0.00 WT3 O ATOM 37028 H1 TIP3 879 58.257 25.844 43.230 1.00 0.00 WT3 H ATOM 37029 H2 TIP3 879 56.854 26.413 43.220 1.00 0.00 WT3 H ATOM 37030 OH2 TIP3 881 62.025 71.302 25.668 1.00 0.00 WT3 O ATOM 37031 H1 TIP3 881 61.386 70.822 25.142 1.00 0.00 WT3 H ATOM 37032 H2 TIP3 881 61.569 72.102 25.930 1.00 0.00 WT3 H ATOM 37033 OH2 TIP3 882 88.896 65.799 47.780 1.00 0.00 WT3 O ATOM 37034 H1 TIP3 882 88.862 66.573 47.218 1.00 0.00 WT3 H ATOM 37035 H2 TIP3 882 89.809 65.514 47.742 1.00 0.00 WT3 H ATOM 37036 OH2 TIP3 886 84.676 60.345 55.160 1.00 0.00 WT3 O ATOM 37037 H1 TIP3 886 84.752 59.586 54.582 1.00 0.00 WT3 H ATOM 37038 H2 TIP3 886 84.022 60.903 54.739 1.00 0.00 WT3 H ATOM 37039 OH2 TIP3 887 44.419 92.643 -2.014 1.00 0.00 WT3 O ATOM 37040 H1 TIP3 887 44.893 92.597 -2.844 1.00 0.00 WT3 H ATOM 37041 H2 TIP3 887 44.299 91.729 -1.756 1.00 0.00 WT3 H ATOM 37042 OH2 TIP3 889 48.091 36.372 10.072 1.00 0.00 WT3 O ATOM 37043 H1 TIP3 889 48.128 35.787 10.829 1.00 0.00 WT3 H ATOM 37044 H2 TIP3 889 48.972 36.340 9.700 1.00 0.00 WT3 H ATOM 37045 OH2 TIP3 890 58.232 67.566 30.184 1.00 0.00 WT3 O ATOM 37046 H1 TIP3 890 58.275 68.456 29.833 1.00 0.00 WT3 H ATOM 37047 H2 TIP3 890 57.391 67.228 29.877 1.00 0.00 WT3 H ATOM 37048 OH2 TIP3 891 36.381 89.209 23.309 1.00 0.00 WT3 O ATOM 37049 H1 TIP3 891 36.648 89.130 24.225 1.00 0.00 WT3 H ATOM 37050 H2 TIP3 891 36.882 88.532 22.854 1.00 0.00 WT3 H ATOM 37051 OH2 TIP3 894 87.380 79.464 51.615 1.00 0.00 WT3 O ATOM 37052 H1 TIP3 894 87.911 79.864 50.925 1.00 0.00 WT3 H ATOM 37053 H2 TIP3 894 87.980 79.367 52.353 1.00 0.00 WT3 H ATOM 37054 OH2 TIP3 895 83.997 38.715 24.056 1.00 0.00 WT3 O ATOM 37055 H1 TIP3 895 84.856 39.123 24.157 1.00 0.00 WT3 H ATOM 37056 H2 TIP3 895 83.789 38.819 23.128 1.00 0.00 WT3 H ATOM 37057 OH2 TIP3 896 37.081 82.978 33.502 1.00 0.00 WT3 O ATOM 37058 H1 TIP3 896 36.998 82.135 33.057 1.00 0.00 WT3 H ATOM 37059 H2 TIP3 896 36.231 83.113 33.920 1.00 0.00 WT3 H ATOM 37060 OH2 TIP3 897 39.907 36.318 42.637 1.00 0.00 WT3 O ATOM 37061 H1 TIP3 897 39.011 36.213 42.318 1.00 0.00 WT3 H ATOM 37062 H2 TIP3 897 40.457 36.071 41.893 1.00 0.00 WT3 H ATOM 37063 OH2 TIP3 899 47.136 82.020 54.683 1.00 0.00 WT3 O ATOM 37064 H1 TIP3 899 46.567 82.763 54.484 1.00 0.00 WT3 H ATOM 37065 H2 TIP3 899 47.838 82.391 55.217 1.00 0.00 WT3 H ATOM 37066 OH2 TIP3 903 37.186 70.782 -2.383 1.00 0.00 WT3 O ATOM 37067 H1 TIP3 903 36.533 70.885 -1.691 1.00 0.00 WT3 H ATOM 37068 H2 TIP3 903 37.358 69.841 -2.413 1.00 0.00 WT3 H ATOM 37069 OH2 TIP3 906 71.847 79.755 17.579 1.00 0.00 WT3 O ATOM 37070 H1 TIP3 906 72.178 78.857 17.550 1.00 0.00 WT3 H ATOM 37071 H2 TIP3 906 72.307 80.203 16.870 1.00 0.00 WT3 H ATOM 37072 OH2 TIP3 907 70.984 8.212 49.671 1.00 0.00 WT3 O ATOM 37073 H1 TIP3 907 70.470 8.540 48.933 1.00 0.00 WT3 H ATOM 37074 H2 TIP3 907 71.374 8.995 50.059 1.00 0.00 WT3 H ATOM 37075 OH2 TIP3 908 20.890 77.706 64.112 1.00 0.00 WT3 O ATOM 37076 H1 TIP3 908 20.081 77.213 64.245 1.00 0.00 WT3 H ATOM 37077 H2 TIP3 908 21.084 78.084 64.970 1.00 0.00 WT3 H ATOM 37078 OH2 TIP3 911 40.315 70.263 7.899 1.00 0.00 WT3 O ATOM 37079 H1 TIP3 911 40.522 70.184 6.968 1.00 0.00 WT3 H ATOM 37080 H2 TIP3 911 40.731 69.501 8.303 1.00 0.00 WT3 H ATOM 37081 OH2 TIP3 912 25.820 34.438 0.122 1.00 0.00 WT3 O ATOM 37082 H1 TIP3 912 25.814 35.171 0.739 1.00 0.00 WT3 H ATOM 37083 H2 TIP3 912 26.468 34.686 -0.538 1.00 0.00 WT3 H ATOM 37084 OH2 TIP3 916 66.141 6.816 5.483 1.00 0.00 WT3 O ATOM 37085 H1 TIP3 916 66.274 7.741 5.689 1.00 0.00 WT3 H ATOM 37086 H2 TIP3 916 65.191 6.700 5.497 1.00 0.00 WT3 H ATOM 37087 OH2 TIP3 917 41.237 47.773 60.947 1.00 0.00 WT3 O ATOM 37088 H1 TIP3 917 41.118 48.690 61.194 1.00 0.00 WT3 H ATOM 37089 H2 TIP3 917 41.366 47.794 59.999 1.00 0.00 WT3 H ATOM 37090 OH2 TIP3 918 83.003 35.672 43.748 1.00 0.00 WT3 O ATOM 37091 H1 TIP3 918 83.412 36.088 42.989 1.00 0.00 WT3 H ATOM 37092 H2 TIP3 918 83.194 34.740 43.643 1.00 0.00 WT3 H ATOM 37093 OH2 TIP3 919 53.099 63.142 7.984 1.00 0.00 WT3 O ATOM 37094 H1 TIP3 919 53.798 63.755 8.212 1.00 0.00 WT3 H ATOM 37095 H2 TIP3 919 52.764 62.836 8.827 1.00 0.00 WT3 H ATOM 37096 OH2 TIP3 921 35.089 68.746 43.381 1.00 0.00 WT3 O ATOM 37097 H1 TIP3 921 34.403 69.014 43.993 1.00 0.00 WT3 H ATOM 37098 H2 TIP3 921 35.883 69.165 43.713 1.00 0.00 WT3 H ATOM 37099 OH2 TIP3 924 52.315 91.269 8.010 1.00 0.00 WT3 O ATOM 37100 H1 TIP3 924 52.370 90.364 8.317 1.00 0.00 WT3 H ATOM 37101 H2 TIP3 924 52.035 91.767 8.778 1.00 0.00 WT3 H ATOM 37102 OH2 TIP3 927 60.113 84.943 29.273 1.00 0.00 WT3 O ATOM 37103 H1 TIP3 927 60.245 85.809 29.657 1.00 0.00 WT3 H ATOM 37104 H2 TIP3 927 60.877 84.438 29.550 1.00 0.00 WT3 H ATOM 37105 OH2 TIP3 928 38.931 53.077 66.713 1.00 0.00 WT3 O ATOM 37106 H1 TIP3 928 39.683 52.900 67.277 1.00 0.00 WT3 H ATOM 37107 H2 TIP3 928 38.951 52.378 66.059 1.00 0.00 WT3 H ATOM 37108 OH2 TIP3 929 58.859 84.550 34.767 1.00 0.00 WT3 O ATOM 37109 H1 TIP3 929 57.941 84.279 34.746 1.00 0.00 WT3 H ATOM 37110 H2 TIP3 929 59.244 84.155 33.985 1.00 0.00 WT3 H ATOM 37111 OH2 TIP3 930 84.708 14.818 60.803 1.00 0.00 WT3 O ATOM 37112 H1 TIP3 930 84.578 15.766 60.789 1.00 0.00 WT3 H ATOM 37113 H2 TIP3 930 84.336 14.536 61.639 1.00 0.00 WT3 H ATOM 37114 OH2 TIP3 932 67.637 62.667 36.694 1.00 0.00 WT3 O ATOM 37115 H1 TIP3 932 67.986 62.571 35.808 1.00 0.00 WT3 H ATOM 37116 H2 TIP3 932 66.687 62.609 36.586 1.00 0.00 WT3 H ATOM 37117 OH2 TIP3 933 53.338 90.218 -18.963 1.00 0.00 WT3 O ATOM 37118 H1 TIP3 933 53.629 89.310 -18.885 1.00 0.00 WT3 H ATOM 37119 H2 TIP3 933 52.384 90.170 -18.907 1.00 0.00 WT3 H ATOM 37120 OH2 TIP3 936 90.676 49.929 58.586 1.00 0.00 WT3 O ATOM 37121 H1 TIP3 936 90.699 49.470 59.426 1.00 0.00 WT3 H ATOM 37122 H2 TIP3 936 90.715 50.857 58.819 1.00 0.00 WT3 H ATOM 37123 OH2 TIP3 937 83.053 3.579 5.590 1.00 0.00 WT3 O ATOM 37124 H1 TIP3 937 83.829 3.021 5.634 1.00 0.00 WT3 H ATOM 37125 H2 TIP3 937 83.366 4.397 5.205 1.00 0.00 WT3 H ATOM 37126 OH2 TIP3 938 33.419 74.725 50.351 1.00 0.00 WT3 O ATOM 37127 H1 TIP3 938 34.354 74.613 50.525 1.00 0.00 WT3 H ATOM 37128 H2 TIP3 938 33.334 74.598 49.406 1.00 0.00 WT3 H ATOM 37129 OH2 TIP3 939 49.773 51.468 -3.700 1.00 0.00 WT3 O ATOM 37130 H1 TIP3 939 50.012 50.754 -3.109 1.00 0.00 WT3 H ATOM 37131 H2 TIP3 939 50.200 52.240 -3.329 1.00 0.00 WT3 H ATOM 37132 OH2 TIP3 940 63.834 46.990 42.277 1.00 0.00 WT3 O ATOM 37133 H1 TIP3 940 63.014 46.577 42.003 1.00 0.00 WT3 H ATOM 37134 H2 TIP3 940 63.673 47.929 42.183 1.00 0.00 WT3 H ATOM 37135 OH2 TIP3 941 30.110 23.396 62.679 1.00 0.00 WT3 O ATOM 37136 H1 TIP3 941 30.129 22.439 62.695 1.00 0.00 WT3 H ATOM 37137 H2 TIP3 941 29.240 23.613 62.343 1.00 0.00 WT3 H ATOM 37138 OH2 TIP3 942 37.056 59.402 11.364 1.00 0.00 WT3 O ATOM 37139 H1 TIP3 942 37.926 59.131 11.068 1.00 0.00 WT3 H ATOM 37140 H2 TIP3 942 37.058 60.355 11.272 1.00 0.00 WT3 H ATOM 37141 OH2 TIP3 944 74.115 74.687 -12.664 1.00 0.00 WT3 O ATOM 37142 H1 TIP3 944 74.090 75.559 -13.058 1.00 0.00 WT3 H ATOM 37143 H2 TIP3 944 73.956 74.840 -11.732 1.00 0.00 WT3 H ATOM 37144 OH2 TIP3 946 24.027 24.321 20.839 1.00 0.00 WT3 O ATOM 37145 H1 TIP3 946 23.683 25.143 21.187 1.00 0.00 WT3 H ATOM 37146 H2 TIP3 946 23.912 23.692 21.551 1.00 0.00 WT3 H ATOM 37147 OH2 TIP3 947 42.311 96.177 9.133 1.00 0.00 WT3 O ATOM 37148 H1 TIP3 947 42.499 95.242 9.213 1.00 0.00 WT3 H ATOM 37149 H2 TIP3 947 42.149 96.309 8.199 1.00 0.00 WT3 H ATOM 37150 OH2 TIP3 948 54.212 69.432 66.258 1.00 0.00 WT3 O ATOM 37151 H1 TIP3 948 53.442 68.894 66.075 1.00 0.00 WT3 H ATOM 37152 H2 TIP3 948 54.575 69.065 67.064 1.00 0.00 WT3 H ATOM 37153 OH2 TIP3 949 35.229 61.301 46.118 1.00 0.00 WT3 O ATOM 37154 H1 TIP3 949 34.786 61.249 45.271 1.00 0.00 WT3 H ATOM 37155 H2 TIP3 949 36.153 61.152 45.915 1.00 0.00 WT3 H ATOM 37156 OH2 TIP3 950 34.563 28.939 1.451 1.00 0.00 WT3 O ATOM 37157 H1 TIP3 950 34.426 27.998 1.334 1.00 0.00 WT3 H ATOM 37158 H2 TIP3 950 33.680 29.306 1.495 1.00 0.00 WT3 H ATOM 37159 OH2 TIP3 951 33.165 37.410 -12.123 1.00 0.00 WT3 O ATOM 37160 H1 TIP3 951 34.029 37.626 -11.772 1.00 0.00 WT3 H ATOM 37161 H2 TIP3 951 33.103 36.459 -12.041 1.00 0.00 WT3 H ATOM 37162 OH2 TIP3 952 22.425 85.027 -17.603 1.00 0.00 WT3 O ATOM 37163 H1 TIP3 952 22.638 84.211 -17.151 1.00 0.00 WT3 H ATOM 37164 H2 TIP3 952 22.054 84.748 -18.440 1.00 0.00 WT3 H ATOM 37165 OH2 TIP3 953 77.551 23.471 -5.542 1.00 0.00 WT3 O ATOM 37166 H1 TIP3 953 77.986 22.692 -5.196 1.00 0.00 WT3 H ATOM 37167 H2 TIP3 953 76.721 23.147 -5.891 1.00 0.00 WT3 H ATOM 37168 OH2 TIP3 954 70.213 92.277 50.994 1.00 0.00 WT3 O ATOM 37169 H1 TIP3 954 70.774 91.667 51.473 1.00 0.00 WT3 H ATOM 37170 H2 TIP3 954 70.428 92.129 50.073 1.00 0.00 WT3 H ATOM 37171 OH2 TIP3 956 29.915 5.474 -13.847 1.00 0.00 WT3 O ATOM 37172 H1 TIP3 956 29.185 5.639 -14.444 1.00 0.00 WT3 H ATOM 37173 H2 TIP3 956 29.539 4.938 -13.149 1.00 0.00 WT3 H ATOM 37174 OH2 TIP3 957 46.844 62.358 -14.766 1.00 0.00 WT3 O ATOM 37175 H1 TIP3 957 47.105 62.192 -13.860 1.00 0.00 WT3 H ATOM 37176 H2 TIP3 957 46.626 63.289 -14.787 1.00 0.00 WT3 H ATOM 37177 OH2 TIP3 958 76.795 77.271 46.882 1.00 0.00 WT3 O ATOM 37178 H1 TIP3 958 77.706 76.978 46.895 1.00 0.00 WT3 H ATOM 37179 H2 TIP3 958 76.675 77.643 46.008 1.00 0.00 WT3 H ATOM 37180 OH2 TIP3 959 50.166 75.399 42.556 1.00 0.00 WT3 O ATOM 37181 H1 TIP3 959 49.365 75.712 42.135 1.00 0.00 WT3 H ATOM 37182 H2 TIP3 959 49.895 74.613 43.031 1.00 0.00 WT3 H ATOM 37183 OH2 TIP3 960 58.137 27.316 65.858 1.00 0.00 WT3 O ATOM 37184 H1 TIP3 960 58.381 28.242 65.852 1.00 0.00 WT3 H ATOM 37185 H2 TIP3 960 58.094 27.073 64.933 1.00 0.00 WT3 H ATOM 37186 OH2 TIP3 961 67.758 8.574 56.129 1.00 0.00 WT3 O ATOM 37187 H1 TIP3 961 68.474 8.411 56.743 1.00 0.00 WT3 H ATOM 37188 H2 TIP3 961 66.969 8.316 56.605 1.00 0.00 WT3 H ATOM 37189 OH2 TIP3 962 73.128 35.290 0.467 1.00 0.00 WT3 O ATOM 37190 H1 TIP3 962 72.340 35.743 0.165 1.00 0.00 WT3 H ATOM 37191 H2 TIP3 962 73.055 35.293 1.421 1.00 0.00 WT3 H ATOM 37192 OH2 TIP3 963 61.265 36.740 -4.492 1.00 0.00 WT3 O ATOM 37193 H1 TIP3 963 61.675 36.520 -3.656 1.00 0.00 WT3 H ATOM 37194 H2 TIP3 963 60.363 36.429 -4.407 1.00 0.00 WT3 H ATOM 37195 OH2 TIP3 964 84.795 43.473 -10.405 1.00 0.00 WT3 O ATOM 37196 H1 TIP3 964 84.124 43.033 -9.883 1.00 0.00 WT3 H ATOM 37197 H2 TIP3 964 84.328 43.790 -11.178 1.00 0.00 WT3 H ATOM 37198 OH2 TIP3 965 53.745 15.151 39.187 1.00 0.00 WT3 O ATOM 37199 H1 TIP3 965 53.417 16.048 39.250 1.00 0.00 WT3 H ATOM 37200 H2 TIP3 965 52.959 14.615 39.082 1.00 0.00 WT3 H ATOM 37201 OH2 TIP3 966 65.166 25.280 -11.866 1.00 0.00 WT3 O ATOM 37202 H1 TIP3 966 64.455 24.664 -12.046 1.00 0.00 WT3 H ATOM 37203 H2 TIP3 966 64.730 26.126 -11.765 1.00 0.00 WT3 H ATOM 37204 OH2 TIP3 967 36.811 41.859 62.752 1.00 0.00 WT3 O ATOM 37205 H1 TIP3 967 35.992 42.325 62.579 1.00 0.00 WT3 H ATOM 37206 H2 TIP3 967 37.389 42.115 62.034 1.00 0.00 WT3 H ATOM 37207 OH2 TIP3 970 83.560 73.870 38.763 1.00 0.00 WT3 O ATOM 37208 H1 TIP3 970 83.087 73.307 39.376 1.00 0.00 WT3 H ATOM 37209 H2 TIP3 970 84.484 73.695 38.941 1.00 0.00 WT3 H ATOM 37210 OH2 TIP3 971 68.535 52.469 23.410 1.00 0.00 WT3 O ATOM 37211 H1 TIP3 971 68.315 51.835 22.727 1.00 0.00 WT3 H ATOM 37212 H2 TIP3 971 67.778 53.053 23.448 1.00 0.00 WT3 H ATOM 37213 OH2 TIP3 972 57.091 96.755 18.505 1.00 0.00 WT3 O ATOM 37214 H1 TIP3 972 57.284 97.177 19.342 1.00 0.00 WT3 H ATOM 37215 H2 TIP3 972 56.620 95.956 18.742 1.00 0.00 WT3 H ATOM 37216 OH2 TIP3 973 78.909 81.805 -2.101 1.00 0.00 WT3 O ATOM 37217 H1 TIP3 973 78.635 82.164 -2.944 1.00 0.00 WT3 H ATOM 37218 H2 TIP3 973 78.559 82.418 -1.454 1.00 0.00 WT3 H ATOM 37219 OH2 TIP3 974 90.127 40.750 -5.739 1.00 0.00 WT3 O ATOM 37220 H1 TIP3 974 89.846 40.928 -6.636 1.00 0.00 WT3 H ATOM 37221 H2 TIP3 974 90.622 39.933 -5.800 1.00 0.00 WT3 H ATOM 37222 OH2 TIP3 975 74.574 91.847 29.383 1.00 0.00 WT3 O ATOM 37223 H1 TIP3 975 75.353 92.402 29.417 1.00 0.00 WT3 H ATOM 37224 H2 TIP3 975 74.259 91.821 30.287 1.00 0.00 WT3 H ATOM 37225 OH2 TIP3 976 31.620 84.735 18.181 1.00 0.00 WT3 O ATOM 37226 H1 TIP3 976 32.422 84.214 18.225 1.00 0.00 WT3 H ATOM 37227 H2 TIP3 976 31.111 84.457 18.943 1.00 0.00 WT3 H ATOM 37228 OH2 TIP3 977 50.949 60.353 45.236 1.00 0.00 WT3 O ATOM 37229 H1 TIP3 977 50.443 60.815 44.568 1.00 0.00 WT3 H ATOM 37230 H2 TIP3 977 51.816 60.241 44.846 1.00 0.00 WT3 H ATOM 37231 OH2 TIP3 978 27.252 66.690 -6.174 1.00 0.00 WT3 O ATOM 37232 H1 TIP3 978 27.055 67.459 -6.709 1.00 0.00 WT3 H ATOM 37233 H2 TIP3 978 27.849 67.014 -5.500 1.00 0.00 WT3 H ATOM 37234 OH2 TIP3 979 48.613 47.869 40.625 1.00 0.00 WT3 O ATOM 37235 H1 TIP3 979 48.299 48.247 39.804 1.00 0.00 WT3 H ATOM 37236 H2 TIP3 979 48.331 46.955 40.592 1.00 0.00 WT3 H ATOM 37237 OH2 TIP3 980 26.254 48.803 40.922 1.00 0.00 WT3 O ATOM 37238 H1 TIP3 980 26.019 48.460 41.784 1.00 0.00 WT3 H ATOM 37239 H2 TIP3 980 27.192 48.982 40.982 1.00 0.00 WT3 H ATOM 37240 OH2 TIP3 982 53.704 87.357 20.521 1.00 0.00 WT3 O ATOM 37241 H1 TIP3 982 53.221 87.508 19.709 1.00 0.00 WT3 H ATOM 37242 H2 TIP3 982 53.122 86.810 21.048 1.00 0.00 WT3 H ATOM 37243 OH2 TIP3 983 49.362 83.721 -18.107 1.00 0.00 WT3 O ATOM 37244 H1 TIP3 983 48.640 83.175 -17.796 1.00 0.00 WT3 H ATOM 37245 H2 TIP3 983 49.560 84.300 -17.371 1.00 0.00 WT3 H ATOM 37246 OH2 TIP3 984 46.420 69.255 50.705 1.00 0.00 WT3 O ATOM 37247 H1 TIP3 984 46.819 69.805 50.031 1.00 0.00 WT3 H ATOM 37248 H2 TIP3 984 46.834 68.399 50.591 1.00 0.00 WT3 H ATOM 37249 OH2 TIP3 985 42.421 58.220 7.664 1.00 0.00 WT3 O ATOM 37250 H1 TIP3 985 42.898 58.324 8.488 1.00 0.00 WT3 H ATOM 37251 H2 TIP3 985 43.071 57.875 7.052 1.00 0.00 WT3 H ATOM 37252 OH2 TIP3 986 41.296 24.920 31.841 1.00 0.00 WT3 O ATOM 37253 H1 TIP3 986 41.936 25.072 32.537 1.00 0.00 WT3 H ATOM 37254 H2 TIP3 986 41.824 24.692 31.076 1.00 0.00 WT3 H ATOM 37255 OH2 TIP3 988 80.499 94.397 -15.239 1.00 0.00 WT3 O ATOM 37256 H1 TIP3 988 80.781 94.118 -14.368 1.00 0.00 WT3 H ATOM 37257 H2 TIP3 988 81.313 94.503 -15.731 1.00 0.00 WT3 H ATOM 37258 OH2 TIP3 992 88.194 13.243 2.454 1.00 0.00 WT3 O ATOM 37259 H1 TIP3 992 87.282 13.116 2.193 1.00 0.00 WT3 H ATOM 37260 H2 TIP3 992 88.277 12.763 3.278 1.00 0.00 WT3 H ATOM 37261 OH2 TIP3 993 72.757 41.024 6.128 1.00 0.00 WT3 O ATOM 37262 H1 TIP3 993 73.161 40.717 6.940 1.00 0.00 WT3 H ATOM 37263 H2 TIP3 993 72.060 40.391 5.952 1.00 0.00 WT3 H ATOM 37264 OH2 TIP3 994 41.560 75.621 8.724 1.00 0.00 WT3 O ATOM 37265 H1 TIP3 994 41.143 75.989 9.503 1.00 0.00 WT3 H ATOM 37266 H2 TIP3 994 41.472 74.674 8.829 1.00 0.00 WT3 H ATOM 37267 OH2 TIP3 995 78.190 29.826 -13.474 1.00 0.00 WT3 O ATOM 37268 H1 TIP3 995 77.810 29.035 -13.856 1.00 0.00 WT3 H ATOM 37269 H2 TIP3 995 77.492 30.188 -12.928 1.00 0.00 WT3 H ATOM 37270 OH2 TIP3 996 33.168 71.224 -7.283 1.00 0.00 WT3 O ATOM 37271 H1 TIP3 996 32.527 70.962 -7.944 1.00 0.00 WT3 H ATOM 37272 H2 TIP3 996 33.262 72.169 -7.400 1.00 0.00 WT3 H ATOM 37273 OH2 TIP3 997 37.048 49.851 59.567 1.00 0.00 WT3 O ATOM 37274 H1 TIP3 997 37.808 50.094 59.039 1.00 0.00 WT3 H ATOM 37275 H2 TIP3 997 37.252 48.973 59.890 1.00 0.00 WT3 H ATOM 37276 OH2 TIP3 998 44.528 85.950 22.495 1.00 0.00 WT3 O ATOM 37277 H1 TIP3 998 44.153 85.999 21.616 1.00 0.00 WT3 H ATOM 37278 H2 TIP3 998 45.139 86.687 22.537 1.00 0.00 WT3 H ATOM 37279 OH2 TIP3 999 23.761 20.655 61.719 1.00 0.00 WT3 O ATOM 37280 H1 TIP3 999 24.449 20.288 61.163 1.00 0.00 WT3 H ATOM 37281 H2 TIP3 999 23.844 21.602 61.610 1.00 0.00 WT3 H ATOM 37282 OH2 TIP3 1000 25.889 71.872 12.062 1.00 0.00 WT3 O ATOM 37283 H1 TIP3 1000 26.688 71.575 12.498 1.00 0.00 WT3 H ATOM 37284 H2 TIP3 1000 25.683 72.707 12.482 1.00 0.00 WT3 H ATOM 37285 OH2 TIP3 1001 69.319 27.404 34.501 1.00 0.00 WT3 O ATOM 37286 H1 TIP3 1001 69.206 28.024 35.222 1.00 0.00 WT3 H ATOM 37287 H2 TIP3 1001 69.416 27.956 33.724 1.00 0.00 WT3 H ATOM 37288 OH2 TIP3 1002 23.448 47.803 48.384 1.00 0.00 WT3 O ATOM 37289 H1 TIP3 1002 22.725 47.501 47.835 1.00 0.00 WT3 H ATOM 37290 H2 TIP3 1002 24.205 47.302 48.081 1.00 0.00 WT3 H ATOM 37291 OH2 TIP3 1003 69.566 43.115 31.302 1.00 0.00 WT3 O ATOM 37292 H1 TIP3 1003 68.930 42.425 31.110 1.00 0.00 WT3 H ATOM 37293 H2 TIP3 1003 70.057 43.221 30.488 1.00 0.00 WT3 H ATOM 37294 OH2 TIP3 1004 48.990 91.754 22.377 1.00 0.00 WT3 O ATOM 37295 H1 TIP3 1004 49.888 91.431 22.446 1.00 0.00 WT3 H ATOM 37296 H2 TIP3 1004 48.447 91.015 22.653 1.00 0.00 WT3 H ATOM 37297 OH2 TIP3 1005 65.790 71.453 63.358 1.00 0.00 WT3 O ATOM 37298 H1 TIP3 1005 65.857 72.269 62.861 1.00 0.00 WT3 H ATOM 37299 H2 TIP3 1005 65.181 71.653 64.068 1.00 0.00 WT3 H ATOM 37300 OH2 TIP3 1006 61.280 0.594 -4.892 1.00 0.00 WT3 O ATOM 37301 H1 TIP3 1006 60.882 1.439 -5.101 1.00 0.00 WT3 H ATOM 37302 H2 TIP3 1006 60.833 0.309 -4.095 1.00 0.00 WT3 H ATOM 37303 OH2 TIP3 1007 28.169 34.136 38.491 1.00 0.00 WT3 O ATOM 37304 H1 TIP3 1007 27.603 33.707 37.849 1.00 0.00 WT3 H ATOM 37305 H2 TIP3 1007 28.987 34.296 38.020 1.00 0.00 WT3 H ATOM 37306 OH2 TIP3 1009 80.692 26.126 13.176 1.00 0.00 WT3 O ATOM 37307 H1 TIP3 1009 80.882 26.395 14.075 1.00 0.00 WT3 H ATOM 37308 H2 TIP3 1009 79.737 26.112 13.127 1.00 0.00 WT3 H ATOM 37309 OH2 TIP3 1010 80.944 85.136 51.816 1.00 0.00 WT3 O ATOM 37310 H1 TIP3 1010 80.875 84.782 52.702 1.00 0.00 WT3 H ATOM 37311 H2 TIP3 1010 80.389 84.563 51.285 1.00 0.00 WT3 H ATOM 37312 OH2 TIP3 1011 82.230 84.406 4.266 1.00 0.00 WT3 O ATOM 37313 H1 TIP3 1011 83.161 84.223 4.391 1.00 0.00 WT3 H ATOM 37314 H2 TIP3 1011 82.028 84.045 3.402 1.00 0.00 WT3 H ATOM 37315 OH2 TIP3 1012 76.412 70.630 46.896 1.00 0.00 WT3 O ATOM 37316 H1 TIP3 1012 75.717 71.064 46.400 1.00 0.00 WT3 H ATOM 37317 H2 TIP3 1012 77.213 71.085 46.634 1.00 0.00 WT3 H ATOM 37318 OH2 TIP3 1013 72.317 66.520 39.889 1.00 0.00 WT3 O ATOM 37319 H1 TIP3 1013 71.410 66.827 39.896 1.00 0.00 WT3 H ATOM 37320 H2 TIP3 1013 72.794 67.173 40.401 1.00 0.00 WT3 H ATOM 37321 OH2 TIP3 1014 65.159 51.589 30.250 1.00 0.00 WT3 O ATOM 37322 H1 TIP3 1014 64.636 51.060 29.647 1.00 0.00 WT3 H ATOM 37323 H2 TIP3 1014 64.846 52.484 30.116 1.00 0.00 WT3 H ATOM 37324 OH2 TIP3 1015 56.360 46.773 47.721 1.00 0.00 WT3 O ATOM 37325 H1 TIP3 1015 55.540 46.833 48.211 1.00 0.00 WT3 H ATOM 37326 H2 TIP3 1015 56.314 45.925 47.280 1.00 0.00 WT3 H ATOM 37327 OH2 TIP3 1017 55.434 21.452 -18.325 1.00 0.00 WT3 O ATOM 37328 H1 TIP3 1017 55.325 21.035 -19.179 1.00 0.00 WT3 H ATOM 37329 H2 TIP3 1017 54.704 22.068 -18.263 1.00 0.00 WT3 H ATOM 37330 OH2 TIP3 1018 60.396 10.411 2.132 1.00 0.00 WT3 O ATOM 37331 H1 TIP3 1018 61.004 10.970 1.648 1.00 0.00 WT3 H ATOM 37332 H2 TIP3 1018 60.572 10.605 3.052 1.00 0.00 WT3 H ATOM 37333 OH2 TIP3 1020 53.390 30.107 5.340 1.00 0.00 WT3 O ATOM 37334 H1 TIP3 1020 53.419 30.170 6.295 1.00 0.00 WT3 H ATOM 37335 H2 TIP3 1020 52.844 29.341 5.166 1.00 0.00 WT3 H ATOM 37336 OH2 TIP3 1022 44.186 15.109 -18.536 1.00 0.00 WT3 O ATOM 37337 H1 TIP3 1022 45.079 15.009 -18.205 1.00 0.00 WT3 H ATOM 37338 H2 TIP3 1022 43.974 14.257 -18.917 1.00 0.00 WT3 H ATOM 37339 OH2 TIP3 1023 39.337 36.442 -17.046 1.00 0.00 WT3 O ATOM 37340 H1 TIP3 1023 39.552 37.260 -16.597 1.00 0.00 WT3 H ATOM 37341 H2 TIP3 1023 39.778 36.510 -17.892 1.00 0.00 WT3 H ATOM 37342 OH2 TIP3 1025 30.327 73.141 -17.826 1.00 0.00 WT3 O ATOM 37343 H1 TIP3 1025 30.186 73.050 -16.884 1.00 0.00 WT3 H ATOM 37344 H2 TIP3 1025 29.445 73.171 -18.198 1.00 0.00 WT3 H ATOM 37345 OH2 TIP3 1026 43.897 87.921 14.162 1.00 0.00 WT3 O ATOM 37346 H1 TIP3 1026 44.330 87.967 13.310 1.00 0.00 WT3 H ATOM 37347 H2 TIP3 1026 43.304 87.173 14.091 1.00 0.00 WT3 H ATOM 37348 OH2 TIP3 1027 35.671 59.877 67.392 1.00 0.00 WT3 O ATOM 37349 H1 TIP3 1027 36.364 59.823 66.734 1.00 0.00 WT3 H ATOM 37350 H2 TIP3 1027 35.665 59.014 67.805 1.00 0.00 WT3 H ATOM 37351 OH2 TIP3 1028 38.461 57.810 -19.963 1.00 0.00 WT3 O ATOM 37352 H1 TIP3 1028 39.257 57.834 -19.431 1.00 0.00 WT3 H ATOM 37353 H2 TIP3 1028 38.237 56.881 -20.017 1.00 0.00 WT3 H ATOM 37354 OH2 TIP3 1029 47.456 12.510 52.346 1.00 0.00 WT3 O ATOM 37355 H1 TIP3 1029 46.664 12.386 51.823 1.00 0.00 WT3 H ATOM 37356 H2 TIP3 1029 47.994 11.742 52.154 1.00 0.00 WT3 H ATOM 37357 OH2 TIP3 1030 27.277 72.945 53.718 1.00 0.00 WT3 O ATOM 37358 H1 TIP3 1030 27.414 73.769 54.186 1.00 0.00 WT3 H ATOM 37359 H2 TIP3 1030 28.046 72.858 53.155 1.00 0.00 WT3 H ATOM 37360 OH2 TIP3 1031 37.658 80.835 18.031 1.00 0.00 WT3 O ATOM 37361 H1 TIP3 1031 37.274 80.854 18.908 1.00 0.00 WT3 H ATOM 37362 H2 TIP3 1031 37.554 79.928 17.743 1.00 0.00 WT3 H ATOM 37363 OH2 TIP3 1032 26.614 38.889 34.948 1.00 0.00 WT3 O ATOM 37364 H1 TIP3 1032 27.148 39.629 34.657 1.00 0.00 WT3 H ATOM 37365 H2 TIP3 1032 25.869 38.880 34.347 1.00 0.00 WT3 H ATOM 37366 OH2 TIP3 1033 86.316 73.542 36.590 1.00 0.00 WT3 O ATOM 37367 H1 TIP3 1033 85.722 72.845 36.870 1.00 0.00 WT3 H ATOM 37368 H2 TIP3 1033 86.363 73.449 35.639 1.00 0.00 WT3 H ATOM 37369 OH2 TIP3 1035 64.071 65.349 -10.834 1.00 0.00 WT3 O ATOM 37370 H1 TIP3 1035 63.298 65.689 -11.284 1.00 0.00 WT3 H ATOM 37371 H2 TIP3 1035 63.722 64.888 -10.071 1.00 0.00 WT3 H ATOM 37372 OH2 TIP3 1036 89.512 61.073 33.956 1.00 0.00 WT3 O ATOM 37373 H1 TIP3 1036 89.251 60.676 34.787 1.00 0.00 WT3 H ATOM 37374 H2 TIP3 1036 88.756 60.948 33.383 1.00 0.00 WT3 H ATOM 37375 OH2 TIP3 1040 57.894 38.006 2.449 1.00 0.00 WT3 O ATOM 37376 H1 TIP3 1040 57.505 38.536 3.145 1.00 0.00 WT3 H ATOM 37377 H2 TIP3 1040 57.420 37.175 2.486 1.00 0.00 WT3 H ATOM 37378 OH2 TIP3 1041 33.079 9.853 27.521 1.00 0.00 WT3 O ATOM 37379 H1 TIP3 1041 32.532 10.293 26.870 1.00 0.00 WT3 H ATOM 37380 H2 TIP3 1041 33.461 9.111 27.052 1.00 0.00 WT3 H ATOM 37381 OH2 TIP3 1042 79.190 60.453 15.150 1.00 0.00 WT3 O ATOM 37382 H1 TIP3 1042 78.432 60.118 15.628 1.00 0.00 WT3 H ATOM 37383 H2 TIP3 1042 79.748 59.686 15.018 1.00 0.00 WT3 H ATOM 37384 OH2 TIP3 1043 44.010 82.624 15.432 1.00 0.00 WT3 O ATOM 37385 H1 TIP3 1043 43.057 82.534 15.414 1.00 0.00 WT3 H ATOM 37386 H2 TIP3 1043 44.297 82.303 14.577 1.00 0.00 WT3 H ATOM 37387 OH2 TIP3 1044 84.482 72.267 34.149 1.00 0.00 WT3 O ATOM 37388 H1 TIP3 1044 84.158 73.137 34.383 1.00 0.00 WT3 H ATOM 37389 H2 TIP3 1044 84.252 72.165 33.226 1.00 0.00 WT3 H ATOM 37390 OH2 TIP3 1045 60.792 81.331 48.279 1.00 0.00 WT3 O ATOM 37391 H1 TIP3 1045 60.786 80.623 47.635 1.00 0.00 WT3 H ATOM 37392 H2 TIP3 1045 60.214 81.997 47.908 1.00 0.00 WT3 H ATOM 37393 OH2 TIP3 1046 45.192 48.375 -4.772 1.00 0.00 WT3 O ATOM 37394 H1 TIP3 1046 45.890 48.895 -5.172 1.00 0.00 WT3 H ATOM 37395 H2 TIP3 1046 45.435 48.317 -3.848 1.00 0.00 WT3 H ATOM 37396 OH2 TIP3 1047 74.746 70.567 56.314 1.00 0.00 WT3 O ATOM 37397 H1 TIP3 1047 75.519 70.293 55.820 1.00 0.00 WT3 H ATOM 37398 H2 TIP3 1047 74.039 70.572 55.669 1.00 0.00 WT3 H ATOM 37399 OH2 TIP3 1048 22.393 57.647 -14.141 1.00 0.00 WT3 O ATOM 37400 H1 TIP3 1048 21.979 58.172 -14.826 1.00 0.00 WT3 H ATOM 37401 H2 TIP3 1048 21.903 56.824 -14.141 1.00 0.00 WT3 H ATOM 37402 OH2 TIP3 1050 56.287 16.725 25.641 1.00 0.00 WT3 O ATOM 37403 H1 TIP3 1050 56.475 17.262 26.412 1.00 0.00 WT3 H ATOM 37404 H2 TIP3 1050 55.573 17.184 25.198 1.00 0.00 WT3 H ATOM 37405 OH2 TIP3 1051 81.911 61.783 37.687 1.00 0.00 WT3 O ATOM 37406 H1 TIP3 1051 81.113 62.149 37.304 1.00 0.00 WT3 H ATOM 37407 H2 TIP3 1051 81.726 60.848 37.777 1.00 0.00 WT3 H ATOM 37408 OH2 TIP3 1052 85.464 82.396 24.563 1.00 0.00 WT3 O ATOM 37409 H1 TIP3 1052 84.532 82.600 24.482 1.00 0.00 WT3 H ATOM 37410 H2 TIP3 1052 85.561 82.070 25.457 1.00 0.00 WT3 H ATOM 37411 OH2 TIP3 1053 81.288 35.122 15.599 1.00 0.00 WT3 O ATOM 37412 H1 TIP3 1053 80.595 34.890 14.980 1.00 0.00 WT3 H ATOM 37413 H2 TIP3 1053 81.812 34.325 15.683 1.00 0.00 WT3 H ATOM 37414 OH2 TIP3 1054 51.480 93.900 56.378 1.00 0.00 WT3 O ATOM 37415 H1 TIP3 1054 50.831 93.419 55.865 1.00 0.00 WT3 H ATOM 37416 H2 TIP3 1054 51.017 94.682 56.679 1.00 0.00 WT3 H ATOM 37417 OH2 TIP3 1055 33.859 15.472 17.845 1.00 0.00 WT3 O ATOM 37418 H1 TIP3 1055 33.946 15.235 16.921 1.00 0.00 WT3 H ATOM 37419 H2 TIP3 1055 33.120 16.080 17.868 1.00 0.00 WT3 H ATOM 37420 OH2 TIP3 1058 25.427 73.022 25.570 1.00 0.00 WT3 O ATOM 37421 H1 TIP3 1058 25.838 72.792 24.737 1.00 0.00 WT3 H ATOM 37422 H2 TIP3 1058 25.354 73.976 25.547 1.00 0.00 WT3 H ATOM 37423 OH2 TIP3 1059 67.830 35.691 -1.570 1.00 0.00 WT3 O ATOM 37424 H1 TIP3 1059 68.022 36.628 -1.547 1.00 0.00 WT3 H ATOM 37425 H2 TIP3 1059 66.882 35.642 -1.692 1.00 0.00 WT3 H ATOM 37426 OH2 TIP3 1060 61.879 38.573 -6.552 1.00 0.00 WT3 O ATOM 37427 H1 TIP3 1060 61.444 37.907 -6.019 1.00 0.00 WT3 H ATOM 37428 H2 TIP3 1060 62.495 38.994 -5.953 1.00 0.00 WT3 H ATOM 37429 OH2 TIP3 1061 65.308 15.243 15.087 1.00 0.00 WT3 O ATOM 37430 H1 TIP3 1061 64.643 14.879 15.672 1.00 0.00 WT3 H ATOM 37431 H2 TIP3 1061 65.324 14.644 14.340 1.00 0.00 WT3 H ATOM 37432 OH2 TIP3 1062 78.171 93.145 61.494 1.00 0.00 WT3 O ATOM 37433 H1 TIP3 1062 79.048 93.033 61.125 1.00 0.00 WT3 H ATOM 37434 H2 TIP3 1062 78.041 92.371 62.041 1.00 0.00 WT3 H ATOM 37435 OH2 TIP3 1063 66.623 50.661 -3.493 1.00 0.00 WT3 O ATOM 37436 H1 TIP3 1063 66.098 51.244 -4.041 1.00 0.00 WT3 H ATOM 37437 H2 TIP3 1063 67.485 51.075 -3.459 1.00 0.00 WT3 H ATOM 37438 OH2 TIP3 1067 76.030 91.734 49.336 1.00 0.00 WT3 O ATOM 37439 H1 TIP3 1067 76.445 92.272 48.662 1.00 0.00 WT3 H ATOM 37440 H2 TIP3 1067 76.753 91.449 49.895 1.00 0.00 WT3 H ATOM 37441 OH2 TIP3 1068 20.748 40.204 -15.425 1.00 0.00 WT3 O ATOM 37442 H1 TIP3 1068 20.993 41.109 -15.619 1.00 0.00 WT3 H ATOM 37443 H2 TIP3 1068 21.542 39.813 -15.060 1.00 0.00 WT3 H ATOM 37444 OH2 TIP3 1069 45.447 7.619 52.251 1.00 0.00 WT3 O ATOM 37445 H1 TIP3 1069 46.138 8.119 52.685 1.00 0.00 WT3 H ATOM 37446 H2 TIP3 1069 45.137 7.007 52.920 1.00 0.00 WT3 H ATOM 37447 OH2 TIP3 1070 72.069 70.524 6.703 1.00 0.00 WT3 O ATOM 37448 H1 TIP3 1070 71.705 71.346 6.374 1.00 0.00 WT3 H ATOM 37449 H2 TIP3 1070 71.334 69.910 6.679 1.00 0.00 WT3 H ATOM 37450 OH2 TIP3 1071 46.196 77.165 45.151 1.00 0.00 WT3 O ATOM 37451 H1 TIP3 1071 45.571 77.683 45.659 1.00 0.00 WT3 H ATOM 37452 H2 TIP3 1071 45.736 76.347 44.965 1.00 0.00 WT3 H ATOM 37453 OH2 TIP3 1074 23.439 79.060 -15.832 1.00 0.00 WT3 O ATOM 37454 H1 TIP3 1074 22.797 79.762 -15.724 1.00 0.00 WT3 H ATOM 37455 H2 TIP3 1074 23.048 78.477 -16.483 1.00 0.00 WT3 H ATOM 37456 OH2 TIP3 1076 50.250 39.236 58.734 1.00 0.00 WT3 O ATOM 37457 H1 TIP3 1076 49.929 39.095 59.625 1.00 0.00 WT3 H ATOM 37458 H2 TIP3 1076 50.413 40.178 58.684 1.00 0.00 WT3 H ATOM 37459 OH2 TIP3 1079 21.388 83.945 2.093 1.00 0.00 WT3 O ATOM 37460 H1 TIP3 1079 21.340 83.052 1.751 1.00 0.00 WT3 H ATOM 37461 H2 TIP3 1079 20.974 83.895 2.954 1.00 0.00 WT3 H ATOM 37462 OH2 TIP3 1080 28.434 73.950 35.617 1.00 0.00 WT3 O ATOM 37463 H1 TIP3 1080 29.044 73.546 36.234 1.00 0.00 WT3 H ATOM 37464 H2 TIP3 1080 28.982 74.222 34.881 1.00 0.00 WT3 H ATOM 37465 OH2 TIP3 1082 22.637 80.417 -0.792 1.00 0.00 WT3 O ATOM 37466 H1 TIP3 1082 21.948 79.753 -0.767 1.00 0.00 WT3 H ATOM 37467 H2 TIP3 1082 22.376 81.059 -0.132 1.00 0.00 WT3 H ATOM 37468 OH2 TIP3 1084 70.761 93.902 31.804 1.00 0.00 WT3 O ATOM 37469 H1 TIP3 1084 71.102 93.960 32.696 1.00 0.00 WT3 H ATOM 37470 H2 TIP3 1084 69.819 93.776 31.915 1.00 0.00 WT3 H ATOM 37471 OH2 TIP3 1085 56.136 85.890 48.171 1.00 0.00 WT3 O ATOM 37472 H1 TIP3 1085 56.033 86.440 47.395 1.00 0.00 WT3 H ATOM 37473 H2 TIP3 1085 56.181 84.997 47.829 1.00 0.00 WT3 H ATOM 37474 OH2 TIP3 1086 84.744 86.508 4.851 1.00 0.00 WT3 O ATOM 37475 H1 TIP3 1086 84.274 86.736 4.049 1.00 0.00 WT3 H ATOM 37476 H2 TIP3 1086 84.885 85.564 4.786 1.00 0.00 WT3 H ATOM 37477 OH2 TIP3 1087 75.051 86.595 55.373 1.00 0.00 WT3 O ATOM 37478 H1 TIP3 1087 74.204 86.150 55.399 1.00 0.00 WT3 H ATOM 37479 H2 TIP3 1087 75.662 85.971 55.764 1.00 0.00 WT3 H ATOM 37480 OH2 TIP3 1088 87.737 88.224 66.785 1.00 0.00 WT3 O ATOM 37481 H1 TIP3 1088 87.562 87.285 66.838 1.00 0.00 WT3 H ATOM 37482 H2 TIP3 1088 87.947 88.481 67.683 1.00 0.00 WT3 H ATOM 37483 OH2 TIP3 1090 26.736 77.919 20.591 1.00 0.00 WT3 O ATOM 37484 H1 TIP3 1090 26.547 78.842 20.765 1.00 0.00 WT3 H ATOM 37485 H2 TIP3 1090 26.789 77.861 19.637 1.00 0.00 WT3 H ATOM 37486 OH2 TIP3 1094 70.305 44.462 64.911 1.00 0.00 WT3 O ATOM 37487 H1 TIP3 1094 69.967 45.224 64.441 1.00 0.00 WT3 H ATOM 37488 H2 TIP3 1094 69.765 44.408 65.700 1.00 0.00 WT3 H ATOM 37489 OH2 TIP3 1096 66.945 66.889 -9.689 1.00 0.00 WT3 O ATOM 37490 H1 TIP3 1096 66.699 66.450 -8.875 1.00 0.00 WT3 H ATOM 37491 H2 TIP3 1096 66.422 66.455 -10.364 1.00 0.00 WT3 H ATOM 37492 OH2 TIP3 1098 55.872 63.802 -4.347 1.00 0.00 WT3 O ATOM 37493 H1 TIP3 1098 55.406 64.515 -3.911 1.00 0.00 WT3 H ATOM 37494 H2 TIP3 1098 55.887 63.095 -3.702 1.00 0.00 WT3 H ATOM 37495 OH2 TIP3 1100 53.827 92.918 28.384 1.00 0.00 WT3 O ATOM 37496 H1 TIP3 1100 54.540 92.295 28.248 1.00 0.00 WT3 H ATOM 37497 H2 TIP3 1100 54.263 93.767 28.466 1.00 0.00 WT3 H ATOM 37498 OH2 TIP3 1102 43.311 74.673 -7.155 1.00 0.00 WT3 O ATOM 37499 H1 TIP3 1102 43.562 74.895 -6.258 1.00 0.00 WT3 H ATOM 37500 H2 TIP3 1102 43.073 73.747 -7.116 1.00 0.00 WT3 H ATOM 37501 OH2 TIP3 1103 52.272 84.726 10.966 1.00 0.00 WT3 O ATOM 37502 H1 TIP3 1103 52.107 84.864 11.898 1.00 0.00 WT3 H ATOM 37503 H2 TIP3 1103 51.937 83.846 10.790 1.00 0.00 WT3 H ATOM 37504 OH2 TIP3 1107 63.326 83.590 -0.593 1.00 0.00 WT3 O ATOM 37505 H1 TIP3 1107 63.367 82.636 -0.656 1.00 0.00 WT3 H ATOM 37506 H2 TIP3 1107 64.166 83.842 -0.208 1.00 0.00 WT3 H ATOM 37507 OH2 TIP3 1108 88.507 48.952 41.687 1.00 0.00 WT3 O ATOM 37508 H1 TIP3 1108 88.018 48.412 41.066 1.00 0.00 WT3 H ATOM 37509 H2 TIP3 1108 87.849 49.532 42.071 1.00 0.00 WT3 H ATOM 37510 OH2 TIP3 1112 69.418 2.270 45.264 1.00 0.00 WT3 O ATOM 37511 H1 TIP3 1112 69.303 2.431 46.201 1.00 0.00 WT3 H ATOM 37512 H2 TIP3 1112 69.143 1.362 45.141 1.00 0.00 WT3 H ATOM 37513 OH2 TIP3 1115 37.118 65.126 57.408 1.00 0.00 WT3 O ATOM 37514 H1 TIP3 1115 37.462 65.488 58.224 1.00 0.00 WT3 H ATOM 37515 H2 TIP3 1115 36.338 64.638 57.671 1.00 0.00 WT3 H ATOM 37516 OH2 TIP3 1117 42.157 4.481 54.439 1.00 0.00 WT3 O ATOM 37517 H1 TIP3 1117 42.034 3.542 54.578 1.00 0.00 WT3 H ATOM 37518 H2 TIP3 1117 41.788 4.644 53.571 1.00 0.00 WT3 H ATOM 37519 OH2 TIP3 1118 76.817 77.811 6.856 1.00 0.00 WT3 O ATOM 37520 H1 TIP3 1118 76.148 77.141 6.998 1.00 0.00 WT3 H ATOM 37521 H2 TIP3 1118 77.008 77.764 5.919 1.00 0.00 WT3 H ATOM 37522 OH2 TIP3 1119 71.345 91.032 -15.737 1.00 0.00 WT3 O ATOM 37523 H1 TIP3 1119 70.576 91.572 -15.559 1.00 0.00 WT3 H ATOM 37524 H2 TIP3 1119 71.040 90.133 -15.617 1.00 0.00 WT3 H ATOM 37525 OH2 TIP3 1120 70.683 31.792 1.720 1.00 0.00 WT3 O ATOM 37526 H1 TIP3 1120 70.513 31.879 0.782 1.00 0.00 WT3 H ATOM 37527 H2 TIP3 1120 69.852 31.490 2.088 1.00 0.00 WT3 H ATOM 37528 OH2 TIP3 1122 66.838 55.370 -9.313 1.00 0.00 WT3 O ATOM 37529 H1 TIP3 1122 66.188 55.955 -8.922 1.00 0.00 WT3 H ATOM 37530 H2 TIP3 1122 66.449 55.101 -10.145 1.00 0.00 WT3 H ATOM 37531 OH2 TIP3 1124 89.372 46.793 51.344 1.00 0.00 WT3 O ATOM 37532 H1 TIP3 1124 89.402 47.683 51.695 1.00 0.00 WT3 H ATOM 37533 H2 TIP3 1124 90.284 46.584 51.143 1.00 0.00 WT3 H ATOM 37534 OH2 TIP3 1127 43.384 75.426 48.408 1.00 0.00 WT3 O ATOM 37535 H1 TIP3 1127 43.489 76.192 48.973 1.00 0.00 WT3 H ATOM 37536 H2 TIP3 1127 44.235 75.325 47.981 1.00 0.00 WT3 H ATOM 37537 OH2 TIP3 1129 47.723 7.976 -3.640 1.00 0.00 WT3 O ATOM 37538 H1 TIP3 1129 47.642 8.422 -2.797 1.00 0.00 WT3 H ATOM 37539 H2 TIP3 1129 48.266 8.560 -4.170 1.00 0.00 WT3 H ATOM 37540 OH2 TIP3 1131 72.325 58.832 50.217 1.00 0.00 WT3 O ATOM 37541 H1 TIP3 1131 72.966 58.164 50.458 1.00 0.00 WT3 H ATOM 37542 H2 TIP3 1131 72.026 58.576 49.345 1.00 0.00 WT3 H ATOM 37543 OH2 TIP3 1137 68.639 96.881 -8.414 1.00 0.00 WT3 O ATOM 37544 H1 TIP3 1137 69.329 97.411 -8.015 1.00 0.00 WT3 H ATOM 37545 H2 TIP3 1137 68.565 96.115 -7.844 1.00 0.00 WT3 H ATOM 37546 OH2 TIP3 1145 69.001 75.289 12.277 1.00 0.00 WT3 O ATOM 37547 H1 TIP3 1145 69.346 74.686 12.934 1.00 0.00 WT3 H ATOM 37548 H2 TIP3 1145 68.105 74.989 12.123 1.00 0.00 WT3 H ATOM 37549 OH2 TIP3 1147 26.599 80.928 1.657 1.00 0.00 WT3 O ATOM 37550 H1 TIP3 1147 26.883 81.142 2.545 1.00 0.00 WT3 H ATOM 37551 H2 TIP3 1147 25.947 80.236 1.774 1.00 0.00 WT3 H ATOM 37552 OH2 TIP3 1148 20.996 36.242 10.890 1.00 0.00 WT3 O ATOM 37553 H1 TIP3 1148 20.271 36.590 11.411 1.00 0.00 WT3 H ATOM 37554 H2 TIP3 1148 20.985 36.762 10.087 1.00 0.00 WT3 H ATOM 37555 OH2 TIP3 1151 73.786 87.410 19.102 1.00 0.00 WT3 O ATOM 37556 H1 TIP3 1151 73.121 86.729 19.199 1.00 0.00 WT3 H ATOM 37557 H2 TIP3 1151 73.313 88.230 19.245 1.00 0.00 WT3 H ATOM 37558 OH2 TIP3 1164 81.688 31.695 52.011 1.00 0.00 WT3 O ATOM 37559 H1 TIP3 1164 82.309 32.321 52.384 1.00 0.00 WT3 H ATOM 37560 H2 TIP3 1164 81.093 32.231 51.487 1.00 0.00 WT3 H ATOM 37561 OH2 TIP3 1165 86.695 0.934 36.090 1.00 0.00 WT3 O ATOM 37562 H1 TIP3 1165 86.111 0.198 35.907 1.00 0.00 WT3 H ATOM 37563 H2 TIP3 1165 86.183 1.514 36.653 1.00 0.00 WT3 H ATOM 37564 OH2 TIP3 1186 51.640 73.823 27.701 1.00 0.00 WT3 O ATOM 37565 H1 TIP3 1186 52.222 73.492 28.385 1.00 0.00 WT3 H ATOM 37566 H2 TIP3 1186 52.133 73.704 26.889 1.00 0.00 WT3 H ATOM 37567 OH2 TIP3 1190 31.214 88.412 25.518 1.00 0.00 WT3 O ATOM 37568 H1 TIP3 1190 31.410 87.550 25.886 1.00 0.00 WT3 H ATOM 37569 H2 TIP3 1190 32.061 88.741 25.217 1.00 0.00 WT3 H ATOM 37570 OH2 TIP3 1201 47.880 41.373 2.404 1.00 0.00 WT3 O ATOM 37571 H1 TIP3 1201 47.734 40.432 2.500 1.00 0.00 WT3 H ATOM 37572 H2 TIP3 1201 48.184 41.657 3.266 1.00 0.00 WT3 H ATOM 37573 OH2 TIP3 1253 32.401 79.153 9.050 1.00 0.00 WT3 O ATOM 37574 H1 TIP3 1253 32.017 79.737 9.704 1.00 0.00 WT3 H ATOM 37575 H2 TIP3 1253 33.209 78.838 9.455 1.00 0.00 WT3 H ATOM 37576 OH2 TIP3 1272 57.139 35.313 63.687 1.00 0.00 WT3 O ATOM 37577 H1 TIP3 1272 56.397 35.913 63.754 1.00 0.00 WT3 H ATOM 37578 H2 TIP3 1272 57.699 35.698 63.012 1.00 0.00 WT3 H ATOM 37579 OH2 TIP3 1274 46.752 82.944 34.544 1.00 0.00 WT3 O ATOM 37580 H1 TIP3 1274 46.224 82.491 33.887 1.00 0.00 WT3 H ATOM 37581 H2 TIP3 1274 47.649 82.883 34.215 1.00 0.00 WT3 H ATOM 37582 OH2 TIP3 1297 29.372 83.154 25.809 1.00 0.00 WT3 O ATOM 37583 H1 TIP3 1297 28.859 82.724 26.493 1.00 0.00 WT3 H ATOM 37584 H2 TIP3 1297 30.107 82.562 25.651 1.00 0.00 WT3 H ATOM 37585 OH2 TIP3 1298 85.899 84.799 62.583 1.00 0.00 WT3 O ATOM 37586 H1 TIP3 1298 85.578 84.367 63.375 1.00 0.00 WT3 H ATOM 37587 H2 TIP3 1298 85.139 84.828 62.001 1.00 0.00 WT3 H ATOM 37588 OH2 TIP3 1301 39.397 11.122 58.104 1.00 0.00 WT3 O ATOM 37589 H1 TIP3 1301 39.043 10.980 57.226 1.00 0.00 WT3 H ATOM 37590 H2 TIP3 1301 38.702 10.829 58.693 1.00 0.00 WT3 H ATOM 37591 OH2 TIP3 1305 22.459 91.409 59.887 1.00 0.00 WT3 O ATOM 37592 H1 TIP3 1305 22.768 92.304 59.749 1.00 0.00 WT3 H ATOM 37593 H2 TIP3 1305 21.783 91.490 60.560 1.00 0.00 WT3 H ATOM 37594 OH2 TIP3 1307 83.520 28.771 -14.190 1.00 0.00 WT3 O ATOM 37595 H1 TIP3 1307 84.041 29.098 -14.924 1.00 0.00 WT3 H ATOM 37596 H2 TIP3 1307 82.635 28.684 -14.544 1.00 0.00 WT3 H ATOM 37597 OH2 TIP3 1308 52.658 96.510 35.577 1.00 0.00 WT3 O ATOM 37598 H1 TIP3 1308 52.660 96.884 34.696 1.00 0.00 WT3 H ATOM 37599 H2 TIP3 1308 52.746 95.567 35.438 1.00 0.00 WT3 H ATOM 37600 OH2 TIP3 1311 21.733 66.259 -5.908 1.00 0.00 WT3 O ATOM 37601 H1 TIP3 1311 22.076 65.554 -5.358 1.00 0.00 WT3 H ATOM 37602 H2 TIP3 1311 21.488 65.826 -6.726 1.00 0.00 WT3 H ATOM 37603 OH2 TIP3 1313 40.034 59.480 38.307 1.00 0.00 WT3 O ATOM 37604 H1 TIP3 1313 40.579 59.958 38.930 1.00 0.00 WT3 H ATOM 37605 H2 TIP3 1313 40.654 58.968 37.788 1.00 0.00 WT3 H ATOM 37606 OH2 TIP3 1317 44.124 83.095 43.069 1.00 0.00 WT3 O ATOM 37607 H1 TIP3 1317 44.518 83.205 43.934 1.00 0.00 WT3 H ATOM 37608 H2 TIP3 1317 44.761 83.476 42.464 1.00 0.00 WT3 H ATOM 37609 OH2 TIP3 1321 45.679 83.370 45.367 1.00 0.00 WT3 O ATOM 37610 H1 TIP3 1321 45.537 82.592 45.906 1.00 0.00 WT3 H ATOM 37611 H2 TIP3 1321 46.419 83.816 45.780 1.00 0.00 WT3 H ATOM 37612 OH2 TIP3 1322 42.081 20.140 -11.687 1.00 0.00 WT3 O ATOM 37613 H1 TIP3 1322 42.435 19.303 -11.989 1.00 0.00 WT3 H ATOM 37614 H2 TIP3 1322 41.317 20.292 -12.244 1.00 0.00 WT3 H ATOM 37615 OH2 TIP3 1326 85.241 68.321 -10.861 1.00 0.00 WT3 O ATOM 37616 H1 TIP3 1326 85.333 69.111 -10.329 1.00 0.00 WT3 H ATOM 37617 H2 TIP3 1326 84.547 67.821 -10.430 1.00 0.00 WT3 H ATOM 37618 OH2 TIP3 1327 63.838 13.976 17.333 1.00 0.00 WT3 O ATOM 37619 H1 TIP3 1327 62.923 13.988 17.612 1.00 0.00 WT3 H ATOM 37620 H2 TIP3 1327 64.260 14.652 17.864 1.00 0.00 WT3 H ATOM 37621 OH2 TIP3 1328 64.770 53.453 39.904 1.00 0.00 WT3 O ATOM 37622 H1 TIP3 1328 64.266 53.994 39.297 1.00 0.00 WT3 H ATOM 37623 H2 TIP3 1328 64.154 52.782 40.198 1.00 0.00 WT3 H ATOM 37624 OH2 TIP3 1329 64.371 53.599 53.368 1.00 0.00 WT3 O ATOM 37625 H1 TIP3 1329 63.716 53.174 52.813 1.00 0.00 WT3 H ATOM 37626 H2 TIP3 1329 64.758 54.272 52.808 1.00 0.00 WT3 H ATOM 37627 OH2 TIP3 1330 75.043 94.180 53.245 1.00 0.00 WT3 O ATOM 37628 H1 TIP3 1330 74.895 93.393 53.769 1.00 0.00 WT3 H ATOM 37629 H2 TIP3 1330 74.165 94.478 53.005 1.00 0.00 WT3 H ATOM 37630 OH2 TIP3 1331 53.953 90.312 18.774 1.00 0.00 WT3 O ATOM 37631 H1 TIP3 1331 54.373 89.816 19.476 1.00 0.00 WT3 H ATOM 37632 H2 TIP3 1331 53.761 91.165 19.164 1.00 0.00 WT3 H ATOM 37633 OH2 TIP3 1332 46.961 9.037 48.433 1.00 0.00 WT3 O ATOM 37634 H1 TIP3 1332 46.194 9.027 49.005 1.00 0.00 WT3 H ATOM 37635 H2 TIP3 1332 46.620 9.300 47.578 1.00 0.00 WT3 H ATOM 37636 OH2 TIP3 1333 32.011 63.354 10.848 1.00 0.00 WT3 O ATOM 37637 H1 TIP3 1333 32.736 63.216 10.239 1.00 0.00 WT3 H ATOM 37638 H2 TIP3 1333 32.285 62.913 11.652 1.00 0.00 WT3 H ATOM 37639 OH2 TIP3 1337 68.625 49.276 7.003 1.00 0.00 WT3 O ATOM 37640 H1 TIP3 1337 69.340 49.442 7.617 1.00 0.00 WT3 H ATOM 37641 H2 TIP3 1337 67.831 49.478 7.499 1.00 0.00 WT3 H ATOM 37642 OH2 TIP3 1339 45.647 45.574 52.759 1.00 0.00 WT3 O ATOM 37643 H1 TIP3 1339 45.958 45.572 51.853 1.00 0.00 WT3 H ATOM 37644 H2 TIP3 1339 46.400 45.281 53.272 1.00 0.00 WT3 H ATOM 37645 OH2 TIP3 1340 73.791 44.208 19.110 1.00 0.00 WT3 O ATOM 37646 H1 TIP3 1340 74.037 43.363 19.485 1.00 0.00 WT3 H ATOM 37647 H2 TIP3 1340 72.850 44.277 19.269 1.00 0.00 WT3 H ATOM 37648 OH2 TIP3 1341 77.941 58.090 -1.397 1.00 0.00 WT3 O ATOM 37649 H1 TIP3 1341 77.459 57.564 -0.759 1.00 0.00 WT3 H ATOM 37650 H2 TIP3 1341 77.261 58.522 -1.914 1.00 0.00 WT3 H ATOM 37651 OH2 TIP3 1342 61.955 31.471 35.366 1.00 0.00 WT3 O ATOM 37652 H1 TIP3 1342 61.471 30.849 34.823 1.00 0.00 WT3 H ATOM 37653 H2 TIP3 1342 62.587 31.871 34.768 1.00 0.00 WT3 H ATOM 37654 OH2 TIP3 1343 48.168 67.823 30.206 1.00 0.00 WT3 O ATOM 37655 H1 TIP3 1343 48.373 67.307 29.426 1.00 0.00 WT3 H ATOM 37656 H2 TIP3 1343 48.111 67.180 30.912 1.00 0.00 WT3 H ATOM 37657 OH2 TIP3 1344 20.657 90.445 4.479 1.00 0.00 WT3 O ATOM 37658 H1 TIP3 1344 21.342 90.201 5.101 1.00 0.00 WT3 H ATOM 37659 H2 TIP3 1344 20.327 91.283 4.802 1.00 0.00 WT3 H ATOM 37660 OH2 TIP3 1346 33.483 52.851 31.432 1.00 0.00 WT3 O ATOM 37661 H1 TIP3 1346 34.170 53.374 31.844 1.00 0.00 WT3 H ATOM 37662 H2 TIP3 1346 33.272 53.324 30.627 1.00 0.00 WT3 H ATOM 37663 OH2 TIP3 1347 62.854 18.425 -11.973 1.00 0.00 WT3 O ATOM 37664 H1 TIP3 1347 63.074 19.168 -11.411 1.00 0.00 WT3 H ATOM 37665 H2 TIP3 1347 62.786 18.801 -12.851 1.00 0.00 WT3 H ATOM 37666 OH2 TIP3 1348 20.411 92.059 61.516 1.00 0.00 WT3 O ATOM 37667 H1 TIP3 1348 19.916 92.814 61.833 1.00 0.00 WT3 H ATOM 37668 H2 TIP3 1348 20.598 91.547 62.303 1.00 0.00 WT3 H ATOM 37669 OH2 TIP3 1349 39.265 60.139 62.393 1.00 0.00 WT3 O ATOM 37670 H1 TIP3 1349 39.937 59.681 62.898 1.00 0.00 WT3 H ATOM 37671 H2 TIP3 1349 39.550 60.056 61.483 1.00 0.00 WT3 H ATOM 37672 OH2 TIP3 1351 37.929 61.629 56.786 1.00 0.00 WT3 O ATOM 37673 H1 TIP3 1351 38.355 60.894 56.345 1.00 0.00 WT3 H ATOM 37674 H2 TIP3 1351 38.552 62.351 56.706 1.00 0.00 WT3 H ATOM 37675 OH2 TIP3 1352 72.946 90.863 13.673 1.00 0.00 WT3 O ATOM 37676 H1 TIP3 1352 73.270 91.664 14.086 1.00 0.00 WT3 H ATOM 37677 H2 TIP3 1352 72.647 90.321 14.403 1.00 0.00 WT3 H ATOM 37678 OH2 TIP3 1354 81.919 12.358 -2.529 1.00 0.00 WT3 O ATOM 37679 H1 TIP3 1354 81.490 13.195 -2.707 1.00 0.00 WT3 H ATOM 37680 H2 TIP3 1354 81.573 12.087 -1.678 1.00 0.00 WT3 H ATOM 37681 OH2 TIP3 1355 34.467 26.090 1.908 1.00 0.00 WT3 O ATOM 37682 H1 TIP3 1355 34.150 25.474 1.248 1.00 0.00 WT3 H ATOM 37683 H2 TIP3 1355 34.020 25.831 2.714 1.00 0.00 WT3 H ATOM 37684 OH2 TIP3 1356 83.245 92.459 35.350 1.00 0.00 WT3 O ATOM 37685 H1 TIP3 1356 82.835 93.181 34.875 1.00 0.00 WT3 H ATOM 37686 H2 TIP3 1356 83.175 91.711 34.757 1.00 0.00 WT3 H ATOM 37687 OH2 TIP3 1357 77.233 79.826 21.766 1.00 0.00 WT3 O ATOM 37688 H1 TIP3 1357 76.921 78.923 21.707 1.00 0.00 WT3 H ATOM 37689 H2 TIP3 1357 76.468 80.360 21.552 1.00 0.00 WT3 H ATOM 37690 OH2 TIP3 1359 58.286 68.623 -0.817 1.00 0.00 WT3 O ATOM 37691 H1 TIP3 1359 57.500 69.163 -0.732 1.00 0.00 WT3 H ATOM 37692 H2 TIP3 1359 57.958 67.761 -1.073 1.00 0.00 WT3 H ATOM 37693 OH2 TIP3 1360 88.251 73.007 6.308 1.00 0.00 WT3 O ATOM 37694 H1 TIP3 1360 89.004 73.462 5.930 1.00 0.00 WT3 H ATOM 37695 H2 TIP3 1360 88.022 72.342 5.659 1.00 0.00 WT3 H ATOM 37696 OH2 TIP3 1361 46.515 92.217 58.802 1.00 0.00 WT3 O ATOM 37697 H1 TIP3 1361 47.360 91.781 58.915 1.00 0.00 WT3 H ATOM 37698 H2 TIP3 1361 46.335 92.153 57.864 1.00 0.00 WT3 H ATOM 37699 OH2 TIP3 1362 65.652 80.022 35.011 1.00 0.00 WT3 O ATOM 37700 H1 TIP3 1362 65.449 80.134 34.083 1.00 0.00 WT3 H ATOM 37701 H2 TIP3 1362 65.125 79.271 35.284 1.00 0.00 WT3 H ATOM 37702 OH2 TIP3 1363 61.326 59.432 35.471 1.00 0.00 WT3 O ATOM 37703 H1 TIP3 1363 60.682 59.908 34.946 1.00 0.00 WT3 H ATOM 37704 H2 TIP3 1363 61.094 58.510 35.356 1.00 0.00 WT3 H ATOM 37705 OH2 TIP3 1365 87.467 70.064 28.341 1.00 0.00 WT3 O ATOM 37706 H1 TIP3 1365 86.512 70.033 28.405 1.00 0.00 WT3 H ATOM 37707 H2 TIP3 1365 87.668 70.988 28.194 1.00 0.00 WT3 H ATOM 37708 OH2 TIP3 1367 28.915 20.519 28.476 1.00 0.00 WT3 O ATOM 37709 H1 TIP3 1367 29.515 19.920 28.031 1.00 0.00 WT3 H ATOM 37710 H2 TIP3 1367 28.890 21.295 27.916 1.00 0.00 WT3 H ATOM 37711 OH2 TIP3 1368 27.953 68.886 19.552 1.00 0.00 WT3 O ATOM 37712 H1 TIP3 1368 27.902 69.027 20.497 1.00 0.00 WT3 H ATOM 37713 H2 TIP3 1368 28.748 68.366 19.429 1.00 0.00 WT3 H ATOM 37714 OH2 TIP3 1369 55.268 79.667 25.103 1.00 0.00 WT3 O ATOM 37715 H1 TIP3 1369 55.705 79.569 25.949 1.00 0.00 WT3 H ATOM 37716 H2 TIP3 1369 54.913 78.799 24.914 1.00 0.00 WT3 H ATOM 37717 OH2 TIP3 1370 83.495 68.844 21.474 1.00 0.00 WT3 O ATOM 37718 H1 TIP3 1370 82.706 68.304 21.428 1.00 0.00 WT3 H ATOM 37719 H2 TIP3 1370 83.846 68.684 22.350 1.00 0.00 WT3 H ATOM 37720 OH2 TIP3 1371 40.389 29.092 54.549 1.00 0.00 WT3 O ATOM 37721 H1 TIP3 1371 40.271 29.042 55.498 1.00 0.00 WT3 H ATOM 37722 H2 TIP3 1371 41.215 29.561 54.434 1.00 0.00 WT3 H ATOM 37723 OH2 TIP3 1372 57.466 56.619 -8.987 1.00 0.00 WT3 O ATOM 37724 H1 TIP3 1372 57.437 55.666 -8.906 1.00 0.00 WT3 H ATOM 37725 H2 TIP3 1372 56.589 56.862 -9.282 1.00 0.00 WT3 H ATOM 37726 OH2 TIP3 1374 35.087 3.103 24.427 1.00 0.00 WT3 O ATOM 37727 H1 TIP3 1374 35.717 3.616 24.933 1.00 0.00 WT3 H ATOM 37728 H2 TIP3 1374 35.060 3.532 23.571 1.00 0.00 WT3 H ATOM 37729 OH2 TIP3 1375 36.363 61.671 -0.115 1.00 0.00 WT3 O ATOM 37730 H1 TIP3 1375 35.946 62.379 0.376 1.00 0.00 WT3 H ATOM 37731 H2 TIP3 1375 36.033 60.870 0.292 1.00 0.00 WT3 H ATOM 37732 OH2 TIP3 1376 30.251 76.228 27.003 1.00 0.00 WT3 O ATOM 37733 H1 TIP3 1376 29.908 76.979 26.519 1.00 0.00 WT3 H ATOM 37734 H2 TIP3 1376 30.369 76.551 27.896 1.00 0.00 WT3 H ATOM 37735 OH2 TIP3 1378 34.720 0.091 -1.800 1.00 0.00 WT3 O ATOM 37736 H1 TIP3 1378 34.785 -0.493 -1.045 1.00 0.00 WT3 H ATOM 37737 H2 TIP3 1378 34.747 0.972 -1.425 1.00 0.00 WT3 H ATOM 37738 OH2 TIP3 1379 65.619 88.929 3.072 1.00 0.00 WT3 O ATOM 37739 H1 TIP3 1379 65.540 89.858 2.855 1.00 0.00 WT3 H ATOM 37740 H2 TIP3 1379 66.464 88.856 3.514 1.00 0.00 WT3 H ATOM 37741 OH2 TIP3 1380 75.163 1.362 66.304 1.00 0.00 WT3 O ATOM 37742 H1 TIP3 1380 75.310 1.924 65.543 1.00 0.00 WT3 H ATOM 37743 H2 TIP3 1380 74.468 1.800 66.795 1.00 0.00 WT3 H ATOM 37744 OH2 TIP3 1381 78.449 4.991 -0.136 1.00 0.00 WT3 O ATOM 37745 H1 TIP3 1381 77.729 4.454 -0.467 1.00 0.00 WT3 H ATOM 37746 H2 TIP3 1381 78.997 4.380 0.357 1.00 0.00 WT3 H ATOM 37747 OH2 TIP3 1382 32.518 62.216 50.114 1.00 0.00 WT3 O ATOM 37748 H1 TIP3 1382 32.418 62.149 49.164 1.00 0.00 WT3 H ATOM 37749 H2 TIP3 1382 32.952 61.402 50.368 1.00 0.00 WT3 H ATOM 37750 OH2 TIP3 1383 60.383 62.772 30.065 1.00 0.00 WT3 O ATOM 37751 H1 TIP3 1383 59.617 62.603 30.614 1.00 0.00 WT3 H ATOM 37752 H2 TIP3 1383 60.085 62.588 29.175 1.00 0.00 WT3 H ATOM 37753 OH2 TIP3 1387 24.846 33.067 55.421 1.00 0.00 WT3 O ATOM 37754 H1 TIP3 1387 25.172 32.364 55.984 1.00 0.00 WT3 H ATOM 37755 H2 TIP3 1387 25.406 33.032 54.645 1.00 0.00 WT3 H ATOM 37756 OH2 TIP3 1388 37.083 93.714 -10.917 1.00 0.00 WT3 O ATOM 37757 H1 TIP3 1388 37.344 93.626 -10.000 1.00 0.00 WT3 H ATOM 37758 H2 TIP3 1388 37.897 93.609 -11.410 1.00 0.00 WT3 H ATOM 37759 OH2 TIP3 1389 50.462 91.663 2.864 1.00 0.00 WT3 O ATOM 37760 H1 TIP3 1389 50.195 91.437 3.755 1.00 0.00 WT3 H ATOM 37761 H2 TIP3 1389 51.200 91.082 2.680 1.00 0.00 WT3 H ATOM 37762 OH2 TIP3 1390 28.631 56.979 13.205 1.00 0.00 WT3 O ATOM 37763 H1 TIP3 1390 28.232 57.753 12.807 1.00 0.00 WT3 H ATOM 37764 H2 TIP3 1390 28.220 56.913 14.067 1.00 0.00 WT3 H ATOM 37765 OH2 TIP3 1392 77.969 58.587 4.001 1.00 0.00 WT3 O ATOM 37766 H1 TIP3 1392 77.608 57.862 4.512 1.00 0.00 WT3 H ATOM 37767 H2 TIP3 1392 77.282 58.800 3.369 1.00 0.00 WT3 H ATOM 37768 OH2 TIP3 1393 22.216 47.250 -10.618 1.00 0.00 WT3 O ATOM 37769 H1 TIP3 1393 23.029 47.721 -10.798 1.00 0.00 WT3 H ATOM 37770 H2 TIP3 1393 22.501 46.407 -10.264 1.00 0.00 WT3 H ATOM 37771 OH2 TIP3 1394 58.067 19.775 7.534 1.00 0.00 WT3 O ATOM 37772 H1 TIP3 1394 57.914 20.258 8.346 1.00 0.00 WT3 H ATOM 37773 H2 TIP3 1394 57.227 19.361 7.338 1.00 0.00 WT3 H ATOM 37774 OH2 TIP3 1395 33.294 59.341 15.638 1.00 0.00 WT3 O ATOM 37775 H1 TIP3 1395 33.990 59.135 15.013 1.00 0.00 WT3 H ATOM 37776 H2 TIP3 1395 33.722 59.876 16.306 1.00 0.00 WT3 H ATOM 37777 OH2 TIP3 1396 34.545 69.511 34.909 1.00 0.00 WT3 O ATOM 37778 H1 TIP3 1396 35.447 69.455 35.225 1.00 0.00 WT3 H ATOM 37779 H2 TIP3 1396 34.541 70.275 34.332 1.00 0.00 WT3 H ATOM 37780 OH2 TIP3 1397 60.913 65.238 -5.841 1.00 0.00 WT3 O ATOM 37781 H1 TIP3 1397 60.667 64.808 -6.661 1.00 0.00 WT3 H ATOM 37782 H2 TIP3 1397 60.888 64.539 -5.187 1.00 0.00 WT3 H ATOM 37783 OH2 TIP3 1398 49.345 68.213 51.814 1.00 0.00 WT3 O ATOM 37784 H1 TIP3 1398 49.368 69.134 52.075 1.00 0.00 WT3 H ATOM 37785 H2 TIP3 1398 49.206 68.236 50.867 1.00 0.00 WT3 H ATOM 37786 OH2 TIP3 1399 83.005 73.287 -15.236 1.00 0.00 WT3 O ATOM 37787 H1 TIP3 1399 82.558 73.598 -14.449 1.00 0.00 WT3 H ATOM 37788 H2 TIP3 1399 82.971 74.029 -15.840 1.00 0.00 WT3 H ATOM 37789 OH2 TIP3 1400 35.075 15.195 7.690 1.00 0.00 WT3 O ATOM 37790 H1 TIP3 1400 34.196 15.560 7.594 1.00 0.00 WT3 H ATOM 37791 H2 TIP3 1400 35.660 15.941 7.560 1.00 0.00 WT3 H ATOM 37792 OH2 TIP3 1401 89.255 3.019 10.990 1.00 0.00 WT3 O ATOM 37793 H1 TIP3 1401 89.249 2.115 11.305 1.00 0.00 WT3 H ATOM 37794 H2 TIP3 1401 88.367 3.336 11.153 1.00 0.00 WT3 H ATOM 37795 OH2 TIP3 1402 32.021 88.525 -14.758 1.00 0.00 WT3 O ATOM 37796 H1 TIP3 1402 32.652 89.121 -15.160 1.00 0.00 WT3 H ATOM 37797 H2 TIP3 1402 31.397 88.330 -15.457 1.00 0.00 WT3 H ATOM 37798 OH2 TIP3 1403 67.902 65.280 -18.646 1.00 0.00 WT3 O ATOM 37799 H1 TIP3 1403 67.562 65.687 -17.848 1.00 0.00 WT3 H ATOM 37800 H2 TIP3 1403 68.015 64.358 -18.415 1.00 0.00 WT3 H ATOM 37801 OH2 TIP3 1404 24.436 94.956 55.569 1.00 0.00 WT3 O ATOM 37802 H1 TIP3 1404 24.501 94.623 54.674 1.00 0.00 WT3 H ATOM 37803 H2 TIP3 1404 24.999 95.730 55.578 1.00 0.00 WT3 H ATOM 37804 OH2 TIP3 1407 84.189 46.426 -1.952 1.00 0.00 WT3 O ATOM 37805 H1 TIP3 1407 83.639 45.648 -2.045 1.00 0.00 WT3 H ATOM 37806 H2 TIP3 1407 83.581 47.161 -2.035 1.00 0.00 WT3 H ATOM 37807 OH2 TIP3 1408 37.352 21.787 1.089 1.00 0.00 WT3 O ATOM 37808 H1 TIP3 1408 38.124 22.139 1.533 1.00 0.00 WT3 H ATOM 37809 H2 TIP3 1408 36.686 21.732 1.774 1.00 0.00 WT3 H ATOM 37810 OH2 TIP3 1409 69.707 70.079 48.861 1.00 0.00 WT3 O ATOM 37811 H1 TIP3 1409 68.815 70.205 48.538 1.00 0.00 WT3 H ATOM 37812 H2 TIP3 1409 70.246 70.634 48.297 1.00 0.00 WT3 H ATOM 37813 OH2 TIP3 1411 55.559 84.506 -4.073 1.00 0.00 WT3 O ATOM 37814 H1 TIP3 1411 54.904 85.169 -4.291 1.00 0.00 WT3 H ATOM 37815 H2 TIP3 1411 55.143 83.971 -3.397 1.00 0.00 WT3 H ATOM 37816 OH2 TIP3 1412 33.251 43.035 0.975 1.00 0.00 WT3 O ATOM 37817 H1 TIP3 1412 33.465 43.408 1.831 1.00 0.00 WT3 H ATOM 37818 H2 TIP3 1412 34.099 42.815 0.590 1.00 0.00 WT3 H ATOM 37819 OH2 TIP3 1413 20.937 76.718 61.203 1.00 0.00 WT3 O ATOM 37820 H1 TIP3 1413 21.262 77.435 60.659 1.00 0.00 WT3 H ATOM 37821 H2 TIP3 1413 21.423 76.799 62.023 1.00 0.00 WT3 H ATOM 37822 OH2 TIP3 1414 32.947 79.622 45.611 1.00 0.00 WT3 O ATOM 37823 H1 TIP3 1414 32.428 80.127 44.986 1.00 0.00 WT3 H ATOM 37824 H2 TIP3 1414 32.893 78.720 45.296 1.00 0.00 WT3 H ATOM 37825 OH2 TIP3 1415 81.968 32.093 28.405 1.00 0.00 WT3 O ATOM 37826 H1 TIP3 1415 81.699 32.584 27.629 1.00 0.00 WT3 H ATOM 37827 H2 TIP3 1415 81.178 32.044 28.944 1.00 0.00 WT3 H ATOM 37828 OH2 TIP3 1416 48.123 87.190 48.762 1.00 0.00 WT3 O ATOM 37829 H1 TIP3 1416 47.921 87.256 47.829 1.00 0.00 WT3 H ATOM 37830 H2 TIP3 1416 47.797 86.328 49.018 1.00 0.00 WT3 H ATOM 37831 OH2 TIP3 1417 27.897 5.065 43.951 1.00 0.00 WT3 O ATOM 37832 H1 TIP3 1417 28.197 5.958 43.782 1.00 0.00 WT3 H ATOM 37833 H2 TIP3 1417 28.378 4.527 43.322 1.00 0.00 WT3 H ATOM 37834 OH2 TIP3 1418 51.011 52.893 36.473 1.00 0.00 WT3 O ATOM 37835 H1 TIP3 1418 51.329 53.362 37.245 1.00 0.00 WT3 H ATOM 37836 H2 TIP3 1418 51.290 53.433 35.733 1.00 0.00 WT3 H ATOM 37837 OH2 TIP3 1419 83.624 39.064 44.223 1.00 0.00 WT3 O ATOM 37838 H1 TIP3 1419 84.133 38.281 44.014 1.00 0.00 WT3 H ATOM 37839 H2 TIP3 1419 82.777 38.919 43.803 1.00 0.00 WT3 H ATOM 37840 OH2 TIP3 1420 86.741 96.497 9.075 1.00 0.00 WT3 O ATOM 37841 H1 TIP3 1420 86.296 96.722 8.258 1.00 0.00 WT3 H ATOM 37842 H2 TIP3 1420 86.039 96.448 9.724 1.00 0.00 WT3 H ATOM 37843 OH2 TIP3 1421 56.497 72.927 30.274 1.00 0.00 WT3 O ATOM 37844 H1 TIP3 1421 56.221 72.167 30.787 1.00 0.00 WT3 H ATOM 37845 H2 TIP3 1421 56.144 72.767 29.399 1.00 0.00 WT3 H ATOM 37846 OH2 TIP3 1422 60.373 96.387 5.577 1.00 0.00 WT3 O ATOM 37847 H1 TIP3 1422 59.933 97.237 5.590 1.00 0.00 WT3 H ATOM 37848 H2 TIP3 1422 61.303 96.597 5.653 1.00 0.00 WT3 H ATOM 37849 OH2 TIP3 1423 25.216 18.595 9.664 1.00 0.00 WT3 O ATOM 37850 H1 TIP3 1423 25.122 18.422 8.728 1.00 0.00 WT3 H ATOM 37851 H2 TIP3 1423 26.156 18.527 9.828 1.00 0.00 WT3 H ATOM 37852 OH2 TIP3 1424 35.757 83.381 42.622 1.00 0.00 WT3 O ATOM 37853 H1 TIP3 1424 36.456 83.215 41.990 1.00 0.00 WT3 H ATOM 37854 H2 TIP3 1424 36.043 82.934 43.419 1.00 0.00 WT3 H ATOM 37855 OH2 TIP3 1426 37.188 71.356 63.987 1.00 0.00 WT3 O ATOM 37856 H1 TIP3 1426 36.362 70.881 64.077 1.00 0.00 WT3 H ATOM 37857 H2 TIP3 1426 37.128 71.783 63.133 1.00 0.00 WT3 H ATOM 37858 OH2 TIP3 1428 55.809 32.726 -16.305 1.00 0.00 WT3 O ATOM 37859 H1 TIP3 1428 56.327 33.177 -16.971 1.00 0.00 WT3 H ATOM 37860 H2 TIP3 1428 55.409 31.991 -16.769 1.00 0.00 WT3 H ATOM 37861 OH2 TIP3 1429 87.185 74.358 67.646 1.00 0.00 WT3 O ATOM 37862 H1 TIP3 1429 86.237 74.231 67.641 1.00 0.00 WT3 H ATOM 37863 H2 TIP3 1429 87.392 74.659 66.761 1.00 0.00 WT3 H ATOM 37864 OH2 TIP3 1430 66.007 75.334 47.457 1.00 0.00 WT3 O ATOM 37865 H1 TIP3 1430 66.295 74.472 47.755 1.00 0.00 WT3 H ATOM 37866 H2 TIP3 1430 66.371 75.418 46.576 1.00 0.00 WT3 H ATOM 37867 OH2 TIP3 1431 43.395 77.653 24.397 1.00 0.00 WT3 O ATOM 37868 H1 TIP3 1431 43.487 77.204 23.557 1.00 0.00 WT3 H ATOM 37869 H2 TIP3 1431 44.267 77.607 24.790 1.00 0.00 WT3 H ATOM 37870 OH2 TIP3 1433 73.877 81.938 12.831 1.00 0.00 WT3 O ATOM 37871 H1 TIP3 1433 73.051 82.128 13.275 1.00 0.00 WT3 H ATOM 37872 H2 TIP3 1433 73.650 81.918 11.901 1.00 0.00 WT3 H ATOM 37873 OH2 TIP3 1434 86.585 69.979 25.516 1.00 0.00 WT3 O ATOM 37874 H1 TIP3 1434 85.971 69.293 25.779 1.00 0.00 WT3 H ATOM 37875 H2 TIP3 1434 87.426 69.699 25.876 1.00 0.00 WT3 H ATOM 37876 OH2 TIP3 1435 63.117 6.075 31.800 1.00 0.00 WT3 O ATOM 37877 H1 TIP3 1435 62.253 6.431 31.593 1.00 0.00 WT3 H ATOM 37878 H2 TIP3 1435 62.992 5.602 32.622 1.00 0.00 WT3 H ATOM 37879 OH2 TIP3 1436 52.266 85.954 26.734 1.00 0.00 WT3 O ATOM 37880 H1 TIP3 1436 51.460 85.561 27.068 1.00 0.00 WT3 H ATOM 37881 H2 TIP3 1436 52.903 85.828 27.437 1.00 0.00 WT3 H ATOM 37882 OH2 TIP3 1437 76.519 76.447 25.303 1.00 0.00 WT3 O ATOM 37883 H1 TIP3 1437 76.813 77.357 25.256 1.00 0.00 WT3 H ATOM 37884 H2 TIP3 1437 76.219 76.338 26.206 1.00 0.00 WT3 H ATOM 37885 OH2 TIP3 1438 34.919 72.571 2.846 1.00 0.00 WT3 O ATOM 37886 H1 TIP3 1438 35.115 73.508 2.819 1.00 0.00 WT3 H ATOM 37887 H2 TIP3 1438 35.693 72.176 3.247 1.00 0.00 WT3 H ATOM 37888 OH2 TIP3 1439 65.264 52.848 -4.411 1.00 0.00 WT3 O ATOM 37889 H1 TIP3 1439 65.652 53.441 -5.055 1.00 0.00 WT3 H ATOM 37890 H2 TIP3 1439 64.320 52.981 -4.501 1.00 0.00 WT3 H ATOM 37891 OH2 TIP3 1440 86.589 27.104 -10.899 1.00 0.00 WT3 O ATOM 37892 H1 TIP3 1440 86.189 26.408 -11.420 1.00 0.00 WT3 H ATOM 37893 H2 TIP3 1440 86.753 27.809 -11.526 1.00 0.00 WT3 H ATOM 37894 OH2 TIP3 1441 35.733 89.777 -4.864 1.00 0.00 WT3 O ATOM 37895 H1 TIP3 1441 36.632 90.032 -5.073 1.00 0.00 WT3 H ATOM 37896 H2 TIP3 1441 35.759 88.821 -4.824 1.00 0.00 WT3 H ATOM 37897 OH2 TIP3 1442 39.341 64.757 37.842 1.00 0.00 WT3 O ATOM 37898 H1 TIP3 1442 40.052 64.926 37.224 1.00 0.00 WT3 H ATOM 37899 H2 TIP3 1442 39.617 63.971 38.314 1.00 0.00 WT3 H ATOM 37900 OH2 TIP3 1444 58.010 77.238 39.615 1.00 0.00 WT3 O ATOM 37901 H1 TIP3 1444 57.683 78.134 39.532 1.00 0.00 WT3 H ATOM 37902 H2 TIP3 1444 57.950 76.877 38.731 1.00 0.00 WT3 H ATOM 37903 OH2 TIP3 1445 47.865 42.530 42.487 1.00 0.00 WT3 O ATOM 37904 H1 TIP3 1445 47.089 42.783 41.988 1.00 0.00 WT3 H ATOM 37905 H2 TIP3 1445 47.874 41.574 42.448 1.00 0.00 WT3 H ATOM 37906 OH2 TIP3 1446 45.032 49.657 60.027 1.00 0.00 WT3 O ATOM 37907 H1 TIP3 1446 44.516 49.332 60.764 1.00 0.00 WT3 H ATOM 37908 H2 TIP3 1446 44.605 50.476 59.777 1.00 0.00 WT3 H ATOM 37909 OH2 TIP3 1448 43.785 81.445 10.984 1.00 0.00 WT3 O ATOM 37910 H1 TIP3 1448 44.147 82.188 10.501 1.00 0.00 WT3 H ATOM 37911 H2 TIP3 1448 43.968 80.686 10.430 1.00 0.00 WT3 H ATOM 37912 OH2 TIP3 1449 83.909 83.126 27.910 1.00 0.00 WT3 O ATOM 37913 H1 TIP3 1449 83.478 82.803 28.701 1.00 0.00 WT3 H ATOM 37914 H2 TIP3 1449 84.677 82.564 27.808 1.00 0.00 WT3 H ATOM 37915 OH2 TIP3 1450 70.616 21.478 56.788 1.00 0.00 WT3 O ATOM 37916 H1 TIP3 1450 70.112 20.781 56.368 1.00 0.00 WT3 H ATOM 37917 H2 TIP3 1450 70.028 22.233 56.786 1.00 0.00 WT3 H ATOM 37918 OH2 TIP3 1451 28.917 -0.159 -15.635 1.00 0.00 WT3 O ATOM 37919 H1 TIP3 1451 28.821 0.790 -15.552 1.00 0.00 WT3 H ATOM 37920 H2 TIP3 1451 28.477 -0.513 -14.862 1.00 0.00 WT3 H ATOM 37921 OH2 TIP3 1453 74.371 61.917 3.724 1.00 0.00 WT3 O ATOM 37922 H1 TIP3 1453 73.859 62.617 4.129 1.00 0.00 WT3 H ATOM 37923 H2 TIP3 1453 74.430 61.241 4.400 1.00 0.00 WT3 H ATOM 37924 OH2 TIP3 1454 88.589 30.694 18.609 1.00 0.00 WT3 O ATOM 37925 H1 TIP3 1454 88.774 30.414 19.505 1.00 0.00 WT3 H ATOM 37926 H2 TIP3 1454 88.407 29.881 18.137 1.00 0.00 WT3 H ATOM 37927 OH2 TIP3 1455 89.912 39.321 4.800 1.00 0.00 WT3 O ATOM 37928 H1 TIP3 1455 90.380 39.027 5.581 1.00 0.00 WT3 H ATOM 37929 H2 TIP3 1455 90.557 39.832 4.311 1.00 0.00 WT3 H ATOM 37930 OH2 TIP3 1456 89.384 84.734 51.491 1.00 0.00 WT3 O ATOM 37931 H1 TIP3 1456 88.602 85.222 51.233 1.00 0.00 WT3 H ATOM 37932 H2 TIP3 1456 89.128 84.276 52.291 1.00 0.00 WT3 H ATOM 37933 OH2 TIP3 1457 80.119 36.269 7.669 1.00 0.00 WT3 O ATOM 37934 H1 TIP3 1457 79.518 36.764 7.112 1.00 0.00 WT3 H ATOM 37935 H2 TIP3 1457 80.050 36.686 8.527 1.00 0.00 WT3 H ATOM 37936 OH2 TIP3 1458 69.396 81.768 60.170 1.00 0.00 WT3 O ATOM 37937 H1 TIP3 1458 70.036 82.371 60.548 1.00 0.00 WT3 H ATOM 37938 H2 TIP3 1458 69.728 80.897 60.390 1.00 0.00 WT3 H ATOM 37939 OH2 TIP3 1459 29.943 20.478 -20.200 1.00 0.00 WT3 O ATOM 37940 H1 TIP3 1459 29.780 21.387 -20.451 1.00 0.00 WT3 H ATOM 37941 H2 TIP3 1459 30.296 20.534 -19.312 1.00 0.00 WT3 H ATOM 37942 OH2 TIP3 1460 38.260 4.769 17.387 1.00 0.00 WT3 O ATOM 37943 H1 TIP3 1460 37.813 5.601 17.231 1.00 0.00 WT3 H ATOM 37944 H2 TIP3 1460 37.809 4.145 16.819 1.00 0.00 WT3 H ATOM 37945 OH2 TIP3 1461 30.029 82.266 -16.970 1.00 0.00 WT3 O ATOM 37946 H1 TIP3 1461 29.971 82.790 -16.171 1.00 0.00 WT3 H ATOM 37947 H2 TIP3 1461 30.737 82.670 -17.471 1.00 0.00 WT3 H ATOM 37948 OH2 TIP3 1462 90.236 85.352 34.641 1.00 0.00 WT3 O ATOM 37949 H1 TIP3 1462 90.046 85.628 33.744 1.00 0.00 WT3 H ATOM 37950 H2 TIP3 1462 89.469 84.842 34.902 1.00 0.00 WT3 H ATOM 37951 OH2 TIP3 1463 58.162 76.261 28.900 1.00 0.00 WT3 O ATOM 37952 H1 TIP3 1463 57.479 75.836 29.419 1.00 0.00 WT3 H ATOM 37953 H2 TIP3 1463 58.939 75.717 29.034 1.00 0.00 WT3 H ATOM 37954 OH2 TIP3 1464 66.745 9.212 20.718 1.00 0.00 WT3 O ATOM 37955 H1 TIP3 1464 66.650 9.141 21.668 1.00 0.00 WT3 H ATOM 37956 H2 TIP3 1464 67.589 8.800 20.530 1.00 0.00 WT3 H ATOM 37957 OH2 TIP3 1465 26.672 92.459 -14.019 1.00 0.00 WT3 O ATOM 37958 H1 TIP3 1465 26.772 91.507 -13.996 1.00 0.00 WT3 H ATOM 37959 H2 TIP3 1465 26.412 92.651 -14.920 1.00 0.00 WT3 H ATOM 37960 OH2 TIP3 1467 65.268 15.844 47.685 1.00 0.00 WT3 O ATOM 37961 H1 TIP3 1467 65.560 15.913 46.776 1.00 0.00 WT3 H ATOM 37962 H2 TIP3 1467 65.647 16.609 48.118 1.00 0.00 WT3 H ATOM 37963 OH2 TIP3 1468 27.692 10.886 -12.314 1.00 0.00 WT3 O ATOM 37964 H1 TIP3 1468 28.020 11.783 -12.243 1.00 0.00 WT3 H ATOM 37965 H2 TIP3 1468 26.746 10.984 -12.427 1.00 0.00 WT3 H ATOM 37966 OH2 TIP3 1470 25.217 57.377 47.438 1.00 0.00 WT3 O ATOM 37967 H1 TIP3 1470 25.491 56.488 47.213 1.00 0.00 WT3 H ATOM 37968 H2 TIP3 1470 24.463 57.258 48.015 1.00 0.00 WT3 H ATOM 37969 OH2 TIP3 1471 29.828 89.278 2.971 1.00 0.00 WT3 O ATOM 37970 H1 TIP3 1471 29.051 89.781 2.727 1.00 0.00 WT3 H ATOM 37971 H2 TIP3 1471 29.935 88.642 2.263 1.00 0.00 WT3 H ATOM 37972 OH2 TIP3 1474 63.642 17.981 9.315 1.00 0.00 WT3 O ATOM 37973 H1 TIP3 1474 63.041 17.533 8.719 1.00 0.00 WT3 H ATOM 37974 H2 TIP3 1474 64.502 17.880 8.908 1.00 0.00 WT3 H ATOM 37975 OH2 TIP3 1475 76.020 94.768 -0.904 1.00 0.00 WT3 O ATOM 37976 H1 TIP3 1475 75.850 95.676 -0.654 1.00 0.00 WT3 H ATOM 37977 H2 TIP3 1475 75.297 94.541 -1.489 1.00 0.00 WT3 H ATOM 37978 OH2 TIP3 1476 26.385 25.156 10.833 1.00 0.00 WT3 O ATOM 37979 H1 TIP3 1476 26.349 26.014 10.411 1.00 0.00 WT3 H ATOM 37980 H2 TIP3 1476 25.703 25.190 11.504 1.00 0.00 WT3 H ATOM 37981 OH2 TIP3 1478 26.164 96.114 53.013 1.00 0.00 WT3 O ATOM 37982 H1 TIP3 1478 26.457 95.433 53.618 1.00 0.00 WT3 H ATOM 37983 H2 TIP3 1478 26.178 95.694 52.153 1.00 0.00 WT3 H ATOM 37984 OH2 TIP3 1479 60.095 61.314 -13.645 1.00 0.00 WT3 O ATOM 37985 H1 TIP3 1479 60.846 60.863 -14.031 1.00 0.00 WT3 H ATOM 37986 H2 TIP3 1479 59.488 60.612 -13.410 1.00 0.00 WT3 H ATOM 37987 OH2 TIP3 1480 33.147 29.009 21.041 1.00 0.00 WT3 O ATOM 37988 H1 TIP3 1480 32.402 29.011 20.440 1.00 0.00 WT3 H ATOM 37989 H2 TIP3 1480 32.927 29.668 21.699 1.00 0.00 WT3 H ATOM 37990 OH2 TIP3 1481 34.614 73.295 38.757 1.00 0.00 WT3 O ATOM 37991 H1 TIP3 1481 35.435 73.235 38.267 1.00 0.00 WT3 H ATOM 37992 H2 TIP3 1481 33.989 73.664 38.133 1.00 0.00 WT3 H ATOM 37993 OH2 TIP3 1482 25.485 87.040 8.979 1.00 0.00 WT3 O ATOM 37994 H1 TIP3 1482 25.107 87.844 9.335 1.00 0.00 WT3 H ATOM 37995 H2 TIP3 1482 25.251 86.363 9.614 1.00 0.00 WT3 H ATOM 37996 OH2 TIP3 1484 55.979 71.685 43.351 1.00 0.00 WT3 O ATOM 37997 H1 TIP3 1484 55.954 72.069 42.475 1.00 0.00 WT3 H ATOM 37998 H2 TIP3 1484 55.114 71.865 43.717 1.00 0.00 WT3 H ATOM 37999 OH2 TIP3 1486 65.477 46.277 53.992 1.00 0.00 WT3 O ATOM 38000 H1 TIP3 1486 64.917 45.728 53.444 1.00 0.00 WT3 H ATOM 38001 H2 TIP3 1486 64.867 46.774 54.537 1.00 0.00 WT3 H ATOM 38002 OH2 TIP3 1487 85.522 86.727 64.827 1.00 0.00 WT3 O ATOM 38003 H1 TIP3 1487 85.798 86.483 63.944 1.00 0.00 WT3 H ATOM 38004 H2 TIP3 1487 86.316 86.650 65.357 1.00 0.00 WT3 H ATOM 38005 OH2 TIP3 1489 22.364 63.177 52.810 1.00 0.00 WT3 O ATOM 38006 H1 TIP3 1489 23.051 63.696 53.228 1.00 0.00 WT3 H ATOM 38007 H2 TIP3 1489 22.153 62.498 53.451 1.00 0.00 WT3 H ATOM 38008 OH2 TIP3 1491 56.594 34.982 -2.171 1.00 0.00 WT3 O ATOM 38009 H1 TIP3 1491 56.652 35.298 -1.269 1.00 0.00 WT3 H ATOM 38010 H2 TIP3 1491 55.674 35.101 -2.408 1.00 0.00 WT3 H ATOM 38011 OH2 TIP3 1493 42.455 4.178 28.877 1.00 0.00 WT3 O ATOM 38012 H1 TIP3 1493 42.153 4.600 28.073 1.00 0.00 WT3 H ATOM 38013 H2 TIP3 1493 43.241 4.666 29.123 1.00 0.00 WT3 H ATOM 38014 OH2 TIP3 1494 64.944 19.534 59.009 1.00 0.00 WT3 O ATOM 38015 H1 TIP3 1494 64.409 19.132 59.693 1.00 0.00 WT3 H ATOM 38016 H2 TIP3 1494 65.845 19.411 59.306 1.00 0.00 WT3 H ATOM 38017 OH2 TIP3 1495 74.670 74.720 54.811 1.00 0.00 WT3 O ATOM 38018 H1 TIP3 1495 75.338 74.285 54.282 1.00 0.00 WT3 H ATOM 38019 H2 TIP3 1495 74.262 74.014 55.311 1.00 0.00 WT3 H ATOM 38020 OH2 TIP3 1496 85.602 34.208 6.814 1.00 0.00 WT3 O ATOM 38021 H1 TIP3 1496 84.936 34.304 6.132 1.00 0.00 WT3 H ATOM 38022 H2 TIP3 1496 86.087 35.033 6.793 1.00 0.00 WT3 H ATOM 38023 OH2 TIP3 1497 88.676 23.793 53.872 1.00 0.00 WT3 O ATOM 38024 H1 TIP3 1497 89.212 24.451 53.429 1.00 0.00 WT3 H ATOM 38025 H2 TIP3 1497 89.293 23.102 54.110 1.00 0.00 WT3 H ATOM 38026 OH2 TIP3 1499 40.904 60.825 15.477 1.00 0.00 WT3 O ATOM 38027 H1 TIP3 1499 41.374 61.601 15.783 1.00 0.00 WT3 H ATOM 38028 H2 TIP3 1499 40.755 60.308 16.269 1.00 0.00 WT3 H ATOM 38029 OH2 TIP3 1501 86.299 65.861 42.501 1.00 0.00 WT3 O ATOM 38030 H1 TIP3 1501 86.831 65.639 41.736 1.00 0.00 WT3 H ATOM 38031 H2 TIP3 1501 86.161 65.026 42.948 1.00 0.00 WT3 H ATOM 38032 OH2 TIP3 1502 36.443 6.241 14.093 1.00 0.00 WT3 O ATOM 38033 H1 TIP3 1502 35.573 6.571 14.321 1.00 0.00 WT3 H ATOM 38034 H2 TIP3 1502 36.403 5.305 14.289 1.00 0.00 WT3 H ATOM 38035 OH2 TIP3 1503 85.260 51.017 59.556 1.00 0.00 WT3 O ATOM 38036 H1 TIP3 1503 84.513 51.589 59.375 1.00 0.00 WT3 H ATOM 38037 H2 TIP3 1503 85.985 51.617 59.730 1.00 0.00 WT3 H ATOM 38038 OH2 TIP3 1504 26.341 3.425 13.595 1.00 0.00 WT3 O ATOM 38039 H1 TIP3 1504 27.119 3.182 13.092 1.00 0.00 WT3 H ATOM 38040 H2 TIP3 1504 26.673 3.996 14.288 1.00 0.00 WT3 H ATOM 38041 OH2 TIP3 1505 66.797 19.640 6.057 1.00 0.00 WT3 O ATOM 38042 H1 TIP3 1505 66.847 18.839 6.580 1.00 0.00 WT3 H ATOM 38043 H2 TIP3 1505 66.040 19.507 5.486 1.00 0.00 WT3 H ATOM 38044 OH2 TIP3 1509 47.203 21.544 43.295 1.00 0.00 WT3 O ATOM 38045 H1 TIP3 1509 47.136 22.194 42.596 1.00 0.00 WT3 H ATOM 38046 H2 TIP3 1509 47.782 20.870 42.941 1.00 0.00 WT3 H ATOM 38047 OH2 TIP3 1510 50.350 84.288 35.017 1.00 0.00 WT3 O ATOM 38048 H1 TIP3 1510 51.194 83.870 34.847 1.00 0.00 WT3 H ATOM 38049 H2 TIP3 1510 49.821 84.082 34.246 1.00 0.00 WT3 H ATOM 38050 OH2 TIP3 1511 70.608 83.147 -19.114 1.00 0.00 WT3 O ATOM 38051 H1 TIP3 1511 70.769 83.891 -19.693 1.00 0.00 WT3 H ATOM 38052 H2 TIP3 1511 70.386 82.427 -19.704 1.00 0.00 WT3 H ATOM 38053 OH2 TIP3 1512 77.618 39.912 -1.069 1.00 0.00 WT3 O ATOM 38054 H1 TIP3 1512 76.997 39.877 -1.796 1.00 0.00 WT3 H ATOM 38055 H2 TIP3 1512 78.446 39.613 -1.445 1.00 0.00 WT3 H ATOM 38056 OH2 TIP3 1513 77.540 66.670 53.654 1.00 0.00 WT3 O ATOM 38057 H1 TIP3 1513 78.486 66.619 53.790 1.00 0.00 WT3 H ATOM 38058 H2 TIP3 1513 77.174 66.033 54.268 1.00 0.00 WT3 H ATOM 38059 OH2 TIP3 1515 65.924 75.084 23.630 1.00 0.00 WT3 O ATOM 38060 H1 TIP3 1515 65.806 74.570 22.831 1.00 0.00 WT3 H ATOM 38061 H2 TIP3 1515 66.475 74.536 24.189 1.00 0.00 WT3 H ATOM 38062 OH2 TIP3 1516 23.464 66.415 39.378 1.00 0.00 WT3 O ATOM 38063 H1 TIP3 1516 23.332 65.870 40.154 1.00 0.00 WT3 H ATOM 38064 H2 TIP3 1516 24.254 66.919 39.570 1.00 0.00 WT3 H ATOM 38065 OH2 TIP3 1517 83.153 75.049 43.439 1.00 0.00 WT3 O ATOM 38066 H1 TIP3 1517 82.937 75.030 44.371 1.00 0.00 WT3 H ATOM 38067 H2 TIP3 1517 84.099 75.189 43.415 1.00 0.00 WT3 H ATOM 38068 OH2 TIP3 1518 89.434 17.926 49.177 1.00 0.00 WT3 O ATOM 38069 H1 TIP3 1518 89.255 17.927 48.237 1.00 0.00 WT3 H ATOM 38070 H2 TIP3 1518 90.119 17.267 49.290 1.00 0.00 WT3 H ATOM 38071 OH2 TIP3 1519 47.041 25.449 42.195 1.00 0.00 WT3 O ATOM 38072 H1 TIP3 1519 47.874 25.775 42.536 1.00 0.00 WT3 H ATOM 38073 H2 TIP3 1519 46.596 25.083 42.959 1.00 0.00 WT3 H ATOM 38074 OH2 TIP3 1520 48.616 88.525 27.851 1.00 0.00 WT3 O ATOM 38075 H1 TIP3 1520 48.271 88.754 28.714 1.00 0.00 WT3 H ATOM 38076 H2 TIP3 1520 48.840 87.597 27.920 1.00 0.00 WT3 H ATOM 38077 OH2 TIP3 1522 37.768 29.118 41.218 1.00 0.00 WT3 O ATOM 38078 H1 TIP3 1522 38.546 29.631 41.439 1.00 0.00 WT3 H ATOM 38079 H2 TIP3 1522 37.164 29.752 40.832 1.00 0.00 WT3 H ATOM 38080 OH2 TIP3 1523 26.720 80.345 -5.584 1.00 0.00 WT3 O ATOM 38081 H1 TIP3 1523 26.875 80.061 -4.683 1.00 0.00 WT3 H ATOM 38082 H2 TIP3 1523 25.770 80.445 -5.644 1.00 0.00 WT3 H ATOM 38083 OH2 TIP3 1524 47.173 76.159 2.297 1.00 0.00 WT3 O ATOM 38084 H1 TIP3 1524 46.926 75.244 2.436 1.00 0.00 WT3 H ATOM 38085 H2 TIP3 1524 46.786 76.627 3.037 1.00 0.00 WT3 H ATOM 38086 OH2 TIP3 1525 58.466 75.003 7.277 1.00 0.00 WT3 O ATOM 38087 H1 TIP3 1525 58.004 74.165 7.252 1.00 0.00 WT3 H ATOM 38088 H2 TIP3 1525 57.923 75.559 7.836 1.00 0.00 WT3 H ATOM 38089 OH2 TIP3 1529 43.773 77.599 52.737 1.00 0.00 WT3 O ATOM 38090 H1 TIP3 1529 42.839 77.459 52.581 1.00 0.00 WT3 H ATOM 38091 H2 TIP3 1529 44.052 76.832 53.237 1.00 0.00 WT3 H ATOM 38092 OH2 TIP3 1530 88.442 69.070 39.182 1.00 0.00 WT3 O ATOM 38093 H1 TIP3 1530 88.905 68.861 39.993 1.00 0.00 WT3 H ATOM 38094 H2 TIP3 1530 88.848 69.881 38.876 1.00 0.00 WT3 H ATOM 38095 OH2 TIP3 1532 51.276 83.111 16.954 1.00 0.00 WT3 O ATOM 38096 H1 TIP3 1532 50.417 83.071 16.534 1.00 0.00 WT3 H ATOM 38097 H2 TIP3 1532 51.283 82.370 17.559 1.00 0.00 WT3 H ATOM 38098 OH2 TIP3 1533 71.454 71.884 12.285 1.00 0.00 WT3 O ATOM 38099 H1 TIP3 1533 71.012 71.221 11.755 1.00 0.00 WT3 H ATOM 38100 H2 TIP3 1533 70.813 72.123 12.954 1.00 0.00 WT3 H ATOM 38101 OH2 TIP3 1541 38.255 11.207 13.181 1.00 0.00 WT3 O ATOM 38102 H1 TIP3 1541 38.713 11.993 13.477 1.00 0.00 WT3 H ATOM 38103 H2 TIP3 1541 38.208 10.650 13.958 1.00 0.00 WT3 H ATOM 38104 OH2 TIP3 1542 84.441 66.318 4.152 1.00 0.00 WT3 O ATOM 38105 H1 TIP3 1542 84.377 65.558 4.731 1.00 0.00 WT3 H ATOM 38106 H2 TIP3 1542 84.049 66.026 3.329 1.00 0.00 WT3 H ATOM 38107 OH2 TIP3 1547 21.263 77.099 26.807 1.00 0.00 WT3 O ATOM 38108 H1 TIP3 1547 21.896 76.471 27.155 1.00 0.00 WT3 H ATOM 38109 H2 TIP3 1547 20.905 76.673 26.029 1.00 0.00 WT3 H ATOM 38110 OH2 TIP3 1548 64.034 20.057 22.342 1.00 0.00 WT3 O ATOM 38111 H1 TIP3 1548 63.591 20.872 22.577 1.00 0.00 WT3 H ATOM 38112 H2 TIP3 1548 64.888 20.334 22.011 1.00 0.00 WT3 H ATOM 38113 OH2 TIP3 1550 47.302 33.929 -13.133 1.00 0.00 WT3 O ATOM 38114 H1 TIP3 1550 48.123 33.491 -13.356 1.00 0.00 WT3 H ATOM 38115 H2 TIP3 1550 46.896 33.359 -12.479 1.00 0.00 WT3 H ATOM 38116 OH2 TIP3 1551 42.971 1.703 -6.889 1.00 0.00 WT3 O ATOM 38117 H1 TIP3 1551 43.457 0.984 -7.293 1.00 0.00 WT3 H ATOM 38118 H2 TIP3 1551 42.300 1.930 -7.533 1.00 0.00 WT3 H ATOM 38119 OH2 TIP3 1558 74.112 1.933 5.966 1.00 0.00 WT3 O ATOM 38120 H1 TIP3 1558 73.301 2.348 5.672 1.00 0.00 WT3 H ATOM 38121 H2 TIP3 1558 73.825 1.143 6.423 1.00 0.00 WT3 H ATOM 38122 OH2 TIP3 1559 61.432 24.485 55.899 1.00 0.00 WT3 O ATOM 38123 H1 TIP3 1559 60.740 23.932 56.263 1.00 0.00 WT3 H ATOM 38124 H2 TIP3 1559 61.344 24.389 54.951 1.00 0.00 WT3 H ATOM 38125 OH2 TIP3 1587 31.818 8.338 -1.132 1.00 0.00 WT3 O ATOM 38126 H1 TIP3 1587 32.537 8.778 -0.680 1.00 0.00 WT3 H ATOM 38127 H2 TIP3 1587 32.076 7.416 -1.154 1.00 0.00 WT3 H ATOM 38128 OH2 TIP3 1592 79.178 91.862 66.664 1.00 0.00 WT3 O ATOM 38129 H1 TIP3 1592 79.171 92.754 66.316 1.00 0.00 WT3 H ATOM 38130 H2 TIP3 1592 79.156 91.975 67.614 1.00 0.00 WT3 H ATOM 38131 OH2 TIP3 1593 71.992 31.920 -20.134 1.00 0.00 WT3 O ATOM 38132 H1 TIP3 1593 72.324 32.811 -20.023 1.00 0.00 WT3 H ATOM 38133 H2 TIP3 1593 71.589 31.708 -19.292 1.00 0.00 WT3 H ATOM 38134 OH2 TIP3 1609 36.468 86.755 64.556 1.00 0.00 WT3 O ATOM 38135 H1 TIP3 1609 36.486 85.933 64.066 1.00 0.00 WT3 H ATOM 38136 H2 TIP3 1609 37.058 86.607 65.295 1.00 0.00 WT3 H ATOM 38137 OH2 TIP3 1611 85.781 68.767 18.698 1.00 0.00 WT3 O ATOM 38138 H1 TIP3 1611 84.833 68.659 18.774 1.00 0.00 WT3 H ATOM 38139 H2 TIP3 1611 85.911 69.714 18.644 1.00 0.00 WT3 H ATOM 38140 OH2 TIP3 1618 68.441 21.537 4.986 1.00 0.00 WT3 O ATOM 38141 H1 TIP3 1618 67.751 22.200 5.007 1.00 0.00 WT3 H ATOM 38142 H2 TIP3 1618 68.005 20.729 5.254 1.00 0.00 WT3 H ATOM 38143 OH2 TIP3 1621 77.642 83.293 -3.807 1.00 0.00 WT3 O ATOM 38144 H1 TIP3 1621 77.813 84.210 -3.590 1.00 0.00 WT3 H ATOM 38145 H2 TIP3 1621 76.700 83.257 -3.972 1.00 0.00 WT3 H ATOM 38146 OH2 TIP3 1630 20.658 74.409 11.219 1.00 0.00 WT3 O ATOM 38147 H1 TIP3 1630 20.281 73.622 10.825 1.00 0.00 WT3 H ATOM 38148 H2 TIP3 1630 20.536 74.289 12.160 1.00 0.00 WT3 H ATOM 38149 OH2 TIP3 1650 65.966 16.634 5.543 1.00 0.00 WT3 O ATOM 38150 H1 TIP3 1650 65.464 17.426 5.349 1.00 0.00 WT3 H ATOM 38151 H2 TIP3 1650 66.191 16.714 6.470 1.00 0.00 WT3 H ATOM 38152 OH2 TIP3 1670 79.329 54.066 -7.903 1.00 0.00 WT3 O ATOM 38153 H1 TIP3 1670 78.917 53.615 -7.166 1.00 0.00 WT3 H ATOM 38154 H2 TIP3 1670 79.211 54.997 -7.711 1.00 0.00 WT3 H ATOM 38155 OH2 TIP3 1692 60.449 80.124 -1.790 1.00 0.00 WT3 O ATOM 38156 H1 TIP3 1692 60.388 80.561 -0.941 1.00 0.00 WT3 H ATOM 38157 H2 TIP3 1692 60.166 80.785 -2.422 1.00 0.00 WT3 H ATOM 38158 OH2 TIP3 1707 67.410 95.615 18.381 1.00 0.00 WT3 O ATOM 38159 H1 TIP3 1707 68.272 96.003 18.230 1.00 0.00 WT3 H ATOM 38160 H2 TIP3 1707 66.967 95.679 17.535 1.00 0.00 WT3 H ATOM 38161 OH2 TIP3 1711 29.467 84.002 55.630 1.00 0.00 WT3 O ATOM 38162 H1 TIP3 1711 29.265 84.937 55.597 1.00 0.00 WT3 H ATOM 38163 H2 TIP3 1711 28.652 83.571 55.372 1.00 0.00 WT3 H ATOM 38164 OH2 TIP3 1712 24.631 22.827 23.352 1.00 0.00 WT3 O ATOM 38165 H1 TIP3 1712 24.227 22.039 22.991 1.00 0.00 WT3 H ATOM 38166 H2 TIP3 1712 25.386 22.506 23.845 1.00 0.00 WT3 H ATOM 38167 OH2 TIP3 1714 36.940 11.278 62.745 1.00 0.00 WT3 O ATOM 38168 H1 TIP3 1714 36.201 10.680 62.860 1.00 0.00 WT3 H ATOM 38169 H2 TIP3 1714 37.382 11.279 63.593 1.00 0.00 WT3 H ATOM 38170 OH2 TIP3 1715 32.060 32.866 -18.553 1.00 0.00 WT3 O ATOM 38171 H1 TIP3 1715 31.765 33.738 -18.817 1.00 0.00 WT3 H ATOM 38172 H2 TIP3 1715 31.337 32.515 -18.033 1.00 0.00 WT3 H ATOM 38173 OH2 TIP3 1718 68.421 59.317 15.411 1.00 0.00 WT3 O ATOM 38174 H1 TIP3 1718 67.701 58.814 15.029 1.00 0.00 WT3 H ATOM 38175 H2 TIP3 1718 67.993 60.047 15.858 1.00 0.00 WT3 H ATOM 38176 OH2 TIP3 1722 59.449 57.424 31.459 1.00 0.00 WT3 O ATOM 38177 H1 TIP3 1722 59.411 56.800 30.734 1.00 0.00 WT3 H ATOM 38178 H2 TIP3 1722 58.984 58.196 31.135 1.00 0.00 WT3 H ATOM 38179 OH2 TIP3 1723 79.571 45.966 64.577 1.00 0.00 WT3 O ATOM 38180 H1 TIP3 1723 79.018 45.207 64.763 1.00 0.00 WT3 H ATOM 38181 H2 TIP3 1723 79.250 46.297 63.738 1.00 0.00 WT3 H ATOM 38182 OH2 TIP3 1725 79.939 38.522 4.961 1.00 0.00 WT3 O ATOM 38183 H1 TIP3 1725 79.117 38.644 5.437 1.00 0.00 WT3 H ATOM 38184 H2 TIP3 1725 80.514 39.212 5.294 1.00 0.00 WT3 H ATOM 38185 OH2 TIP3 1727 33.771 74.021 -7.525 1.00 0.00 WT3 O ATOM 38186 H1 TIP3 1727 33.420 74.660 -8.145 1.00 0.00 WT3 H ATOM 38187 H2 TIP3 1727 34.676 74.297 -7.382 1.00 0.00 WT3 H ATOM 38188 OH2 TIP3 1729 33.729 15.209 15.275 1.00 0.00 WT3 O ATOM 38189 H1 TIP3 1729 34.479 15.541 14.782 1.00 0.00 WT3 H ATOM 38190 H2 TIP3 1729 33.124 14.890 14.606 1.00 0.00 WT3 H ATOM 38191 OH2 TIP3 1730 62.458 74.815 -10.005 1.00 0.00 WT3 O ATOM 38192 H1 TIP3 1730 63.050 74.989 -9.273 1.00 0.00 WT3 H ATOM 38193 H2 TIP3 1730 61.665 74.471 -9.595 1.00 0.00 WT3 H ATOM 38194 OH2 TIP3 1733 45.669 70.490 -15.226 1.00 0.00 WT3 O ATOM 38195 H1 TIP3 1733 45.042 70.718 -14.540 1.00 0.00 WT3 H ATOM 38196 H2 TIP3 1733 45.686 71.255 -15.801 1.00 0.00 WT3 H ATOM 38197 OH2 TIP3 1736 61.766 66.044 45.392 1.00 0.00 WT3 O ATOM 38198 H1 TIP3 1736 62.420 65.433 45.730 1.00 0.00 WT3 H ATOM 38199 H2 TIP3 1736 61.201 65.506 44.836 1.00 0.00 WT3 H ATOM 38200 OH2 TIP3 1741 59.162 89.919 23.035 1.00 0.00 WT3 O ATOM 38201 H1 TIP3 1741 58.240 90.164 22.955 1.00 0.00 WT3 H ATOM 38202 H2 TIP3 1741 59.170 89.230 23.700 1.00 0.00 WT3 H ATOM 38203 OH2 TIP3 1744 32.546 43.336 -6.308 1.00 0.00 WT3 O ATOM 38204 H1 TIP3 1744 32.838 43.474 -5.407 1.00 0.00 WT3 H ATOM 38205 H2 TIP3 1744 31.653 43.679 -6.326 1.00 0.00 WT3 H ATOM 38206 OH2 TIP3 1746 53.001 67.471 -10.517 1.00 0.00 WT3 O ATOM 38207 H1 TIP3 1746 52.082 67.336 -10.286 1.00 0.00 WT3 H ATOM 38208 H2 TIP3 1746 53.473 67.378 -9.689 1.00 0.00 WT3 H ATOM 38209 OH2 TIP3 1748 82.596 9.908 -10.132 1.00 0.00 WT3 O ATOM 38210 H1 TIP3 1748 83.233 10.598 -10.319 1.00 0.00 WT3 H ATOM 38211 H2 TIP3 1748 81.958 10.322 -9.551 1.00 0.00 WT3 H ATOM 38212 OH2 TIP3 1750 46.601 49.893 54.344 1.00 0.00 WT3 O ATOM 38213 H1 TIP3 1750 46.513 49.975 53.394 1.00 0.00 WT3 H ATOM 38214 H2 TIP3 1750 46.564 50.793 54.667 1.00 0.00 WT3 H ATOM 38215 OH2 TIP3 1752 60.578 79.657 22.595 1.00 0.00 WT3 O ATOM 38216 H1 TIP3 1752 60.094 79.575 21.774 1.00 0.00 WT3 H ATOM 38217 H2 TIP3 1752 60.769 78.755 22.852 1.00 0.00 WT3 H ATOM 38218 OH2 TIP3 1755 51.117 63.826 15.101 1.00 0.00 WT3 O ATOM 38219 H1 TIP3 1755 51.881 63.331 14.804 1.00 0.00 WT3 H ATOM 38220 H2 TIP3 1755 50.538 63.167 15.484 1.00 0.00 WT3 H ATOM 38221 OH2 TIP3 1756 65.800 83.355 50.092 1.00 0.00 WT3 O ATOM 38222 H1 TIP3 1756 66.632 83.366 50.565 1.00 0.00 WT3 H ATOM 38223 H2 TIP3 1756 65.274 84.034 50.516 1.00 0.00 WT3 H ATOM 38224 OH2 TIP3 1757 74.451 88.822 -2.661 1.00 0.00 WT3 O ATOM 38225 H1 TIP3 1757 74.834 89.193 -1.866 1.00 0.00 WT3 H ATOM 38226 H2 TIP3 1757 73.941 89.538 -3.039 1.00 0.00 WT3 H ATOM 38227 OH2 TIP3 1764 62.854 64.362 26.791 1.00 0.00 WT3 O ATOM 38228 H1 TIP3 1764 62.228 64.206 26.083 1.00 0.00 WT3 H ATOM 38229 H2 TIP3 1764 62.862 63.544 27.289 1.00 0.00 WT3 H ATOM 38230 OH2 TIP3 1766 35.118 82.877 -18.291 1.00 0.00 WT3 O ATOM 38231 H1 TIP3 1766 35.203 83.298 -19.147 1.00 0.00 WT3 H ATOM 38232 H2 TIP3 1766 34.936 83.597 -17.687 1.00 0.00 WT3 H ATOM 38233 OH2 TIP3 1768 47.325 72.363 27.496 1.00 0.00 WT3 O ATOM 38234 H1 TIP3 1768 48.081 71.778 27.440 1.00 0.00 WT3 H ATOM 38235 H2 TIP3 1768 47.552 73.102 26.932 1.00 0.00 WT3 H ATOM 38236 OH2 TIP3 1771 29.363 63.420 17.573 1.00 0.00 WT3 O ATOM 38237 H1 TIP3 1771 28.456 63.525 17.286 1.00 0.00 WT3 H ATOM 38238 H2 TIP3 1771 29.601 62.534 17.298 1.00 0.00 WT3 H ATOM 38239 OH2 TIP3 1772 40.940 49.392 8.013 1.00 0.00 WT3 O ATOM 38240 H1 TIP3 1772 41.072 48.870 8.804 1.00 0.00 WT3 H ATOM 38241 H2 TIP3 1772 41.693 49.983 7.987 1.00 0.00 WT3 H ATOM 38242 OH2 TIP3 1773 88.066 38.667 37.304 1.00 0.00 WT3 O ATOM 38243 H1 TIP3 1773 87.342 38.887 36.719 1.00 0.00 WT3 H ATOM 38244 H2 TIP3 1773 88.535 39.493 37.426 1.00 0.00 WT3 H ATOM 38245 OH2 TIP3 1775 27.797 27.388 -11.716 1.00 0.00 WT3 O ATOM 38246 H1 TIP3 1775 28.029 26.493 -11.467 1.00 0.00 WT3 H ATOM 38247 H2 TIP3 1775 27.549 27.810 -10.894 1.00 0.00 WT3 H ATOM 38248 OH2 TIP3 1776 79.683 81.085 28.470 1.00 0.00 WT3 O ATOM 38249 H1 TIP3 1776 78.852 81.061 28.946 1.00 0.00 WT3 H ATOM 38250 H2 TIP3 1776 79.631 80.349 27.860 1.00 0.00 WT3 H ATOM 38251 OH2 TIP3 1778 81.892 91.785 -16.807 1.00 0.00 WT3 O ATOM 38252 H1 TIP3 1778 82.240 92.270 -17.555 1.00 0.00 WT3 H ATOM 38253 H2 TIP3 1778 80.942 91.817 -16.921 1.00 0.00 WT3 H ATOM 38254 OH2 TIP3 1779 57.833 77.694 50.827 1.00 0.00 WT3 O ATOM 38255 H1 TIP3 1779 57.717 77.395 49.925 1.00 0.00 WT3 H ATOM 38256 H2 TIP3 1779 57.903 78.646 50.757 1.00 0.00 WT3 H ATOM 38257 OH2 TIP3 1782 43.828 61.791 55.823 1.00 0.00 WT3 O ATOM 38258 H1 TIP3 1782 43.610 62.650 56.185 1.00 0.00 WT3 H ATOM 38259 H2 TIP3 1782 43.563 61.843 54.905 1.00 0.00 WT3 H ATOM 38260 OH2 TIP3 1786 42.109 3.607 19.621 1.00 0.00 WT3 O ATOM 38261 H1 TIP3 1786 42.438 3.441 18.738 1.00 0.00 WT3 H ATOM 38262 H2 TIP3 1786 41.211 3.276 19.608 1.00 0.00 WT3 H ATOM 38263 OH2 TIP3 1788 44.222 57.494 54.929 1.00 0.00 WT3 O ATOM 38264 H1 TIP3 1788 44.250 57.529 55.885 1.00 0.00 WT3 H ATOM 38265 H2 TIP3 1788 43.290 57.438 54.718 1.00 0.00 WT3 H ATOM 38266 OH2 TIP3 1789 44.847 5.989 54.535 1.00 0.00 WT3 O ATOM 38267 H1 TIP3 1789 45.396 5.251 54.800 1.00 0.00 WT3 H ATOM 38268 H2 TIP3 1789 44.047 5.584 54.199 1.00 0.00 WT3 H ATOM 38269 OH2 TIP3 1790 80.504 75.711 -5.205 1.00 0.00 WT3 O ATOM 38270 H1 TIP3 1790 80.793 75.667 -4.293 1.00 0.00 WT3 H ATOM 38271 H2 TIP3 1790 81.244 76.099 -5.672 1.00 0.00 WT3 H ATOM 38272 OH2 TIP3 1794 51.479 9.723 28.655 1.00 0.00 WT3 O ATOM 38273 H1 TIP3 1794 52.080 9.189 28.137 1.00 0.00 WT3 H ATOM 38274 H2 TIP3 1794 51.666 10.623 28.388 1.00 0.00 WT3 H ATOM 38275 OH2 TIP3 1795 58.259 70.216 42.722 1.00 0.00 WT3 O ATOM 38276 H1 TIP3 1795 57.553 70.749 43.086 1.00 0.00 WT3 H ATOM 38277 H2 TIP3 1795 58.298 70.468 41.799 1.00 0.00 WT3 H ATOM 38278 OH2 TIP3 1796 82.725 54.916 63.987 1.00 0.00 WT3 O ATOM 38279 H1 TIP3 1796 81.948 54.462 64.313 1.00 0.00 WT3 H ATOM 38280 H2 TIP3 1796 82.589 54.974 63.042 1.00 0.00 WT3 H ATOM 38281 OH2 TIP3 1798 65.623 42.904 27.443 1.00 0.00 WT3 O ATOM 38282 H1 TIP3 1798 65.061 42.840 26.671 1.00 0.00 WT3 H ATOM 38283 H2 TIP3 1798 65.049 43.243 28.130 1.00 0.00 WT3 H ATOM 38284 OH2 TIP3 1800 31.696 72.791 28.581 1.00 0.00 WT3 O ATOM 38285 H1 TIP3 1800 31.937 73.470 29.211 1.00 0.00 WT3 H ATOM 38286 H2 TIP3 1800 30.740 72.760 28.615 1.00 0.00 WT3 H ATOM 38287 OH2 TIP3 1804 20.276 14.248 -7.251 1.00 0.00 WT3 O ATOM 38288 H1 TIP3 1804 19.843 13.579 -6.721 1.00 0.00 WT3 H ATOM 38289 H2 TIP3 1804 20.707 14.818 -6.614 1.00 0.00 WT3 H ATOM 38290 OH2 TIP3 1805 57.136 93.761 66.700 1.00 0.00 WT3 O ATOM 38291 H1 TIP3 1805 57.296 94.705 66.690 1.00 0.00 WT3 H ATOM 38292 H2 TIP3 1805 56.218 93.671 66.446 1.00 0.00 WT3 H ATOM 38293 OH2 TIP3 1808 55.328 30.210 -3.821 1.00 0.00 WT3 O ATOM 38294 H1 TIP3 1808 55.627 31.042 -4.188 1.00 0.00 WT3 H ATOM 38295 H2 TIP3 1808 54.445 30.393 -3.500 1.00 0.00 WT3 H ATOM 38296 OH2 TIP3 1810 42.326 24.437 67.142 1.00 0.00 WT3 O ATOM 38297 H1 TIP3 1810 42.251 23.803 66.429 1.00 0.00 WT3 H ATOM 38298 H2 TIP3 1810 42.428 25.282 66.703 1.00 0.00 WT3 H ATOM 38299 OH2 TIP3 1811 31.621 90.970 41.845 1.00 0.00 WT3 O ATOM 38300 H1 TIP3 1811 31.312 90.088 41.637 1.00 0.00 WT3 H ATOM 38301 H2 TIP3 1811 30.827 91.504 41.863 1.00 0.00 WT3 H ATOM 38302 OH2 TIP3 1812 38.004 47.455 66.513 1.00 0.00 WT3 O ATOM 38303 H1 TIP3 1812 38.036 46.598 66.089 1.00 0.00 WT3 H ATOM 38304 H2 TIP3 1812 37.120 47.779 66.335 1.00 0.00 WT3 H ATOM 38305 OH2 TIP3 1813 86.716 12.903 59.655 1.00 0.00 WT3 O ATOM 38306 H1 TIP3 1813 86.077 13.562 59.926 1.00 0.00 WT3 H ATOM 38307 H2 TIP3 1813 87.527 13.161 60.093 1.00 0.00 WT3 H ATOM 38308 OH2 TIP3 1814 30.892 52.988 17.304 1.00 0.00 WT3 O ATOM 38309 H1 TIP3 1814 31.408 53.134 18.096 1.00 0.00 WT3 H ATOM 38310 H2 TIP3 1814 31.520 52.645 16.668 1.00 0.00 WT3 H ATOM 38311 OH2 TIP3 1815 89.794 73.863 17.555 1.00 0.00 WT3 O ATOM 38312 H1 TIP3 1815 89.184 73.735 16.828 1.00 0.00 WT3 H ATOM 38313 H2 TIP3 1815 90.360 73.091 17.532 1.00 0.00 WT3 H ATOM 38314 OH2 TIP3 1816 49.272 0.044 58.269 1.00 0.00 WT3 O ATOM 38315 H1 TIP3 1816 48.607 0.575 58.709 1.00 0.00 WT3 H ATOM 38316 H2 TIP3 1816 50.105 0.386 58.594 1.00 0.00 WT3 H ATOM 38317 OH2 TIP3 1817 49.750 11.995 60.885 1.00 0.00 WT3 O ATOM 38318 H1 TIP3 1817 50.672 11.785 60.739 1.00 0.00 WT3 H ATOM 38319 H2 TIP3 1817 49.705 12.253 61.806 1.00 0.00 WT3 H ATOM 38320 OH2 TIP3 1818 85.558 30.032 38.493 1.00 0.00 WT3 O ATOM 38321 H1 TIP3 1818 85.984 29.981 39.348 1.00 0.00 WT3 H ATOM 38322 H2 TIP3 1818 85.624 29.145 38.139 1.00 0.00 WT3 H ATOM 38323 OH2 TIP3 1819 52.578 77.894 -12.331 1.00 0.00 WT3 O ATOM 38324 H1 TIP3 1819 52.450 77.128 -11.772 1.00 0.00 WT3 H ATOM 38325 H2 TIP3 1819 53.516 77.899 -12.520 1.00 0.00 WT3 H ATOM 38326 OH2 TIP3 1820 31.056 63.511 34.981 1.00 0.00 WT3 O ATOM 38327 H1 TIP3 1820 30.622 63.280 34.160 1.00 0.00 WT3 H ATOM 38328 H2 TIP3 1820 31.942 63.159 34.891 1.00 0.00 WT3 H ATOM 38329 OH2 TIP3 1821 48.574 83.176 1.765 1.00 0.00 WT3 O ATOM 38330 H1 TIP3 1821 47.972 83.770 2.214 1.00 0.00 WT3 H ATOM 38331 H2 TIP3 1821 48.005 82.572 1.288 1.00 0.00 WT3 H ATOM 38332 OH2 TIP3 1824 34.344 85.349 27.644 1.00 0.00 WT3 O ATOM 38333 H1 TIP3 1824 34.323 85.665 28.547 1.00 0.00 WT3 H ATOM 38334 H2 TIP3 1824 35.240 85.036 27.519 1.00 0.00 WT3 H ATOM 38335 OH2 TIP3 1825 49.506 50.280 52.744 1.00 0.00 WT3 O ATOM 38336 H1 TIP3 1825 49.429 50.764 51.921 1.00 0.00 WT3 H ATOM 38337 H2 TIP3 1825 50.440 50.085 52.821 1.00 0.00 WT3 H ATOM 38338 OH2 TIP3 1828 62.767 50.823 14.774 1.00 0.00 WT3 O ATOM 38339 H1 TIP3 1828 62.864 51.759 14.949 1.00 0.00 WT3 H ATOM 38340 H2 TIP3 1828 62.422 50.461 15.589 1.00 0.00 WT3 H ATOM 38341 OH2 TIP3 1829 45.157 78.381 -17.012 1.00 0.00 WT3 O ATOM 38342 H1 TIP3 1829 45.243 78.642 -17.929 1.00 0.00 WT3 H ATOM 38343 H2 TIP3 1829 44.224 78.200 -16.900 1.00 0.00 WT3 H ATOM 38344 OH2 TIP3 1830 48.136 29.717 0.889 1.00 0.00 WT3 O ATOM 38345 H1 TIP3 1830 48.815 29.742 1.564 1.00 0.00 WT3 H ATOM 38346 H2 TIP3 1830 47.595 30.486 1.063 1.00 0.00 WT3 H ATOM 38347 OH2 TIP3 1831 35.929 44.549 9.644 1.00 0.00 WT3 O ATOM 38348 H1 TIP3 1831 36.702 44.505 10.207 1.00 0.00 WT3 H ATOM 38349 H2 TIP3 1831 35.198 44.338 10.225 1.00 0.00 WT3 H ATOM 38350 OH2 TIP3 1832 85.754 2.982 6.069 1.00 0.00 WT3 O ATOM 38351 H1 TIP3 1832 86.690 2.906 5.883 1.00 0.00 WT3 H ATOM 38352 H2 TIP3 1832 85.709 3.534 6.850 1.00 0.00 WT3 H ATOM 38353 OH2 TIP3 1833 66.554 9.362 45.511 1.00 0.00 WT3 O ATOM 38354 H1 TIP3 1833 66.739 8.428 45.414 1.00 0.00 WT3 H ATOM 38355 H2 TIP3 1833 65.663 9.466 45.177 1.00 0.00 WT3 H ATOM 38356 OH2 TIP3 1835 76.083 56.009 66.082 1.00 0.00 WT3 O ATOM 38357 H1 TIP3 1835 75.714 55.214 66.467 1.00 0.00 WT3 H ATOM 38358 H2 TIP3 1835 76.272 56.574 66.832 1.00 0.00 WT3 H ATOM 38359 OH2 TIP3 1836 27.403 94.641 54.738 1.00 0.00 WT3 O ATOM 38360 H1 TIP3 1836 28.032 93.988 54.430 1.00 0.00 WT3 H ATOM 38361 H2 TIP3 1836 27.601 94.744 55.669 1.00 0.00 WT3 H ATOM 38362 OH2 TIP3 1837 37.765 2.287 57.629 1.00 0.00 WT3 O ATOM 38363 H1 TIP3 1837 36.892 1.999 57.364 1.00 0.00 WT3 H ATOM 38364 H2 TIP3 1837 38.324 1.524 57.483 1.00 0.00 WT3 H ATOM 38365 OH2 TIP3 1838 77.997 24.489 61.542 1.00 0.00 WT3 O ATOM 38366 H1 TIP3 1838 77.215 24.209 61.067 1.00 0.00 WT3 H ATOM 38367 H2 TIP3 1838 77.700 25.219 62.085 1.00 0.00 WT3 H ATOM 38368 OH2 TIP3 1839 24.890 71.496 22.952 1.00 0.00 WT3 O ATOM 38369 H1 TIP3 1839 24.043 71.938 22.893 1.00 0.00 WT3 H ATOM 38370 H2 TIP3 1839 24.694 70.576 22.776 1.00 0.00 WT3 H ATOM 38371 OH2 TIP3 1840 68.660 82.206 15.482 1.00 0.00 WT3 O ATOM 38372 H1 TIP3 1840 68.803 81.331 15.842 1.00 0.00 WT3 H ATOM 38373 H2 TIP3 1840 68.311 82.714 16.215 1.00 0.00 WT3 H ATOM 38374 OH2 TIP3 1841 89.080 92.320 63.917 1.00 0.00 WT3 O ATOM 38375 H1 TIP3 1841 89.651 91.701 64.373 1.00 0.00 WT3 H ATOM 38376 H2 TIP3 1841 89.224 93.153 64.365 1.00 0.00 WT3 H ATOM 38377 OH2 TIP3 1842 73.452 93.720 13.542 1.00 0.00 WT3 O ATOM 38378 H1 TIP3 1842 74.103 93.909 14.218 1.00 0.00 WT3 H ATOM 38379 H2 TIP3 1842 73.099 94.576 13.303 1.00 0.00 WT3 H ATOM 38380 OH2 TIP3 1843 45.044 32.945 36.469 1.00 0.00 WT3 O ATOM 38381 H1 TIP3 1843 45.828 32.973 37.017 1.00 0.00 WT3 H ATOM 38382 H2 TIP3 1843 44.955 33.837 36.132 1.00 0.00 WT3 H ATOM 38383 OH2 TIP3 1844 46.851 67.021 32.715 1.00 0.00 WT3 O ATOM 38384 H1 TIP3 1844 47.431 66.553 33.316 1.00 0.00 WT3 H ATOM 38385 H2 TIP3 1844 46.247 66.352 32.394 1.00 0.00 WT3 H ATOM 38386 OH2 TIP3 1845 73.498 44.988 26.205 1.00 0.00 WT3 O ATOM 38387 H1 TIP3 1845 73.312 45.804 26.669 1.00 0.00 WT3 H ATOM 38388 H2 TIP3 1845 74.186 44.568 26.722 1.00 0.00 WT3 H ATOM 38389 OH2 TIP3 1846 66.834 53.881 -17.101 1.00 0.00 WT3 O ATOM 38390 H1 TIP3 1846 67.255 54.223 -17.890 1.00 0.00 WT3 H ATOM 38391 H2 TIP3 1846 65.949 53.650 -17.382 1.00 0.00 WT3 H ATOM 38392 OH2 TIP3 1847 75.549 24.345 -11.996 1.00 0.00 WT3 O ATOM 38393 H1 TIP3 1847 75.644 23.417 -11.781 1.00 0.00 WT3 H ATOM 38394 H2 TIP3 1847 76.383 24.584 -12.400 1.00 0.00 WT3 H ATOM 38395 OH2 TIP3 1848 48.624 85.370 -5.492 1.00 0.00 WT3 O ATOM 38396 H1 TIP3 1848 48.711 84.501 -5.099 1.00 0.00 WT3 H ATOM 38397 H2 TIP3 1848 47.691 85.570 -5.428 1.00 0.00 WT3 H ATOM 38398 OH2 TIP3 1850 48.640 29.321 -1.999 1.00 0.00 WT3 O ATOM 38399 H1 TIP3 1850 48.729 30.211 -2.342 1.00 0.00 WT3 H ATOM 38400 H2 TIP3 1850 48.464 29.440 -1.066 1.00 0.00 WT3 H ATOM 38401 OH2 TIP3 1851 54.557 79.171 32.226 1.00 0.00 WT3 O ATOM 38402 H1 TIP3 1851 54.887 78.561 32.887 1.00 0.00 WT3 H ATOM 38403 H2 TIP3 1851 53.930 78.658 31.717 1.00 0.00 WT3 H ATOM 38404 OH2 TIP3 1852 77.804 92.248 23.371 1.00 0.00 WT3 O ATOM 38405 H1 TIP3 1852 77.289 92.947 22.969 1.00 0.00 WT3 H ATOM 38406 H2 TIP3 1852 77.317 91.447 23.175 1.00 0.00 WT3 H ATOM 38407 OH2 TIP3 1853 75.280 46.892 28.738 1.00 0.00 WT3 O ATOM 38408 H1 TIP3 1853 74.359 47.150 28.707 1.00 0.00 WT3 H ATOM 38409 H2 TIP3 1853 75.762 47.708 28.600 1.00 0.00 WT3 H ATOM 38410 OH2 TIP3 1854 89.895 95.283 66.978 1.00 0.00 WT3 O ATOM 38411 H1 TIP3 1854 90.476 95.768 67.565 1.00 0.00 WT3 H ATOM 38412 H2 TIP3 1854 90.486 94.828 66.378 1.00 0.00 WT3 H ATOM 38413 OH2 TIP3 1856 86.792 61.534 3.334 1.00 0.00 WT3 O ATOM 38414 H1 TIP3 1856 86.528 60.774 3.852 1.00 0.00 WT3 H ATOM 38415 H2 TIP3 1856 87.339 62.050 3.927 1.00 0.00 WT3 H ATOM 38416 OH2 TIP3 1857 30.996 81.705 33.886 1.00 0.00 WT3 O ATOM 38417 H1 TIP3 1857 30.717 81.932 34.773 1.00 0.00 WT3 H ATOM 38418 H2 TIP3 1857 30.405 80.999 33.623 1.00 0.00 WT3 H ATOM 38419 OH2 TIP3 1858 23.098 9.381 -9.141 1.00 0.00 WT3 O ATOM 38420 H1 TIP3 1858 22.891 9.755 -8.284 1.00 0.00 WT3 H ATOM 38421 H2 TIP3 1858 22.868 10.069 -9.765 1.00 0.00 WT3 H ATOM 38422 OH2 TIP3 1859 55.523 54.762 -3.334 1.00 0.00 WT3 O ATOM 38423 H1 TIP3 1859 55.146 55.240 -2.596 1.00 0.00 WT3 H ATOM 38424 H2 TIP3 1859 56.431 54.601 -3.078 1.00 0.00 WT3 H ATOM 38425 OH2 TIP3 1860 84.333 66.111 -16.462 1.00 0.00 WT3 O ATOM 38426 H1 TIP3 1860 83.969 65.933 -15.595 1.00 0.00 WT3 H ATOM 38427 H2 TIP3 1860 84.338 67.065 -16.530 1.00 0.00 WT3 H ATOM 38428 OH2 TIP3 1861 40.124 5.307 8.147 1.00 0.00 WT3 O ATOM 38429 H1 TIP3 1861 39.552 5.170 8.903 1.00 0.00 WT3 H ATOM 38430 H2 TIP3 1861 39.724 6.036 7.673 1.00 0.00 WT3 H ATOM 38431 OH2 TIP3 1863 34.040 60.376 4.089 1.00 0.00 WT3 O ATOM 38432 H1 TIP3 1863 33.104 60.503 4.245 1.00 0.00 WT3 H ATOM 38433 H2 TIP3 1863 34.458 60.640 4.909 1.00 0.00 WT3 H ATOM 38434 OH2 TIP3 1864 44.780 63.798 -9.908 1.00 0.00 WT3 O ATOM 38435 H1 TIP3 1864 43.826 63.848 -9.843 1.00 0.00 WT3 H ATOM 38436 H2 TIP3 1864 45.077 64.694 -9.751 1.00 0.00 WT3 H ATOM 38437 OH2 TIP3 1866 53.966 72.532 51.932 1.00 0.00 WT3 O ATOM 38438 H1 TIP3 1866 54.909 72.460 52.080 1.00 0.00 WT3 H ATOM 38439 H2 TIP3 1866 53.846 72.278 51.017 1.00 0.00 WT3 H ATOM 38440 OH2 TIP3 1869 80.539 82.879 5.740 1.00 0.00 WT3 O ATOM 38441 H1 TIP3 1869 80.842 83.633 5.234 1.00 0.00 WT3 H ATOM 38442 H2 TIP3 1869 81.338 82.401 5.961 1.00 0.00 WT3 H ATOM 38443 OH2 TIP3 1870 77.400 64.495 32.573 1.00 0.00 WT3 O ATOM 38444 H1 TIP3 1870 76.712 64.419 33.234 1.00 0.00 WT3 H ATOM 38445 H2 TIP3 1870 76.930 64.656 31.755 1.00 0.00 WT3 H ATOM 38446 OH2 TIP3 1871 22.165 61.162 35.087 1.00 0.00 WT3 O ATOM 38447 H1 TIP3 1871 23.067 60.953 34.845 1.00 0.00 WT3 H ATOM 38448 H2 TIP3 1871 22.230 61.988 35.565 1.00 0.00 WT3 H ATOM 38449 OH2 TIP3 1872 74.057 51.153 16.408 1.00 0.00 WT3 O ATOM 38450 H1 TIP3 1872 73.757 51.669 17.156 1.00 0.00 WT3 H ATOM 38451 H2 TIP3 1872 73.409 50.453 16.324 1.00 0.00 WT3 H ATOM 38452 OH2 TIP3 1873 76.862 95.605 60.968 1.00 0.00 WT3 O ATOM 38453 H1 TIP3 1873 77.336 94.840 61.293 1.00 0.00 WT3 H ATOM 38454 H2 TIP3 1873 76.014 95.261 60.687 1.00 0.00 WT3 H ATOM 38455 OH2 TIP3 1874 23.233 70.149 -9.155 1.00 0.00 WT3 O ATOM 38456 H1 TIP3 1874 23.874 70.177 -8.444 1.00 0.00 WT3 H ATOM 38457 H2 TIP3 1874 23.324 69.271 -9.525 1.00 0.00 WT3 H ATOM 38458 OH2 TIP3 1875 42.717 71.957 -6.087 1.00 0.00 WT3 O ATOM 38459 H1 TIP3 1875 43.258 71.900 -5.299 1.00 0.00 WT3 H ATOM 38460 H2 TIP3 1875 42.974 71.197 -6.609 1.00 0.00 WT3 H ATOM 38461 OH2 TIP3 1876 32.883 13.802 -7.114 1.00 0.00 WT3 O ATOM 38462 H1 TIP3 1876 31.977 13.826 -6.805 1.00 0.00 WT3 H ATOM 38463 H2 TIP3 1876 32.931 14.495 -7.772 1.00 0.00 WT3 H ATOM 38464 OH2 TIP3 1878 76.049 90.262 62.876 1.00 0.00 WT3 O ATOM 38465 H1 TIP3 1878 75.755 90.275 61.965 1.00 0.00 WT3 H ATOM 38466 H2 TIP3 1878 77.000 90.357 62.823 1.00 0.00 WT3 H ATOM 38467 OH2 TIP3 1879 41.318 72.537 -16.099 1.00 0.00 WT3 O ATOM 38468 H1 TIP3 1879 41.119 71.643 -15.823 1.00 0.00 WT3 H ATOM 38469 H2 TIP3 1879 40.488 73.007 -16.010 1.00 0.00 WT3 H ATOM 38470 OH2 TIP3 1880 63.647 87.799 7.126 1.00 0.00 WT3 O ATOM 38471 H1 TIP3 1880 63.735 86.888 6.844 1.00 0.00 WT3 H ATOM 38472 H2 TIP3 1880 63.559 88.294 6.311 1.00 0.00 WT3 H ATOM 38473 OH2 TIP3 1881 31.975 55.876 -15.222 1.00 0.00 WT3 O ATOM 38474 H1 TIP3 1881 31.837 56.711 -15.670 1.00 0.00 WT3 H ATOM 38475 H2 TIP3 1881 32.080 56.113 -14.300 1.00 0.00 WT3 H ATOM 38476 OH2 TIP3 1882 50.415 69.362 32.405 1.00 0.00 WT3 O ATOM 38477 H1 TIP3 1882 51.298 69.043 32.218 1.00 0.00 WT3 H ATOM 38478 H2 TIP3 1882 49.867 68.577 32.387 1.00 0.00 WT3 H ATOM 38479 OH2 TIP3 1883 84.048 33.288 50.125 1.00 0.00 WT3 O ATOM 38480 H1 TIP3 1883 84.017 33.394 51.075 1.00 0.00 WT3 H ATOM 38481 H2 TIP3 1883 84.218 32.355 49.992 1.00 0.00 WT3 H ATOM 38482 OH2 TIP3 1885 47.668 86.430 41.679 1.00 0.00 WT3 O ATOM 38483 H1 TIP3 1885 48.050 86.157 42.514 1.00 0.00 WT3 H ATOM 38484 H2 TIP3 1885 48.288 87.071 41.330 1.00 0.00 WT3 H ATOM 38485 OH2 TIP3 1886 38.584 16.159 61.371 1.00 0.00 WT3 O ATOM 38486 H1 TIP3 1886 37.948 15.796 60.754 1.00 0.00 WT3 H ATOM 38487 H2 TIP3 1886 39.336 16.396 60.829 1.00 0.00 WT3 H ATOM 38488 OH2 TIP3 1887 20.375 72.792 -8.129 1.00 0.00 WT3 O ATOM 38489 H1 TIP3 1887 19.478 72.920 -7.821 1.00 0.00 WT3 H ATOM 38490 H2 TIP3 1887 20.798 73.640 -7.994 1.00 0.00 WT3 H ATOM 38491 OH2 TIP3 1888 59.564 95.736 50.077 1.00 0.00 WT3 O ATOM 38492 H1 TIP3 1888 59.128 96.428 50.574 1.00 0.00 WT3 H ATOM 38493 H2 TIP3 1888 58.863 95.124 49.852 1.00 0.00 WT3 H ATOM 38494 OH2 TIP3 1889 37.791 65.207 48.706 1.00 0.00 WT3 O ATOM 38495 H1 TIP3 1889 38.466 64.845 49.280 1.00 0.00 WT3 H ATOM 38496 H2 TIP3 1889 38.044 64.922 47.828 1.00 0.00 WT3 H ATOM 38497 OH2 TIP3 1890 73.700 56.453 15.347 1.00 0.00 WT3 O ATOM 38498 H1 TIP3 1890 73.956 57.185 15.908 1.00 0.00 WT3 H ATOM 38499 H2 TIP3 1890 73.164 55.894 15.909 1.00 0.00 WT3 H ATOM 38500 OH2 TIP3 1891 26.666 30.756 -13.167 1.00 0.00 WT3 O ATOM 38501 H1 TIP3 1891 27.059 31.424 -13.729 1.00 0.00 WT3 H ATOM 38502 H2 TIP3 1891 27.352 30.097 -13.062 1.00 0.00 WT3 H ATOM 38503 OH2 TIP3 1893 44.954 5.241 34.096 1.00 0.00 WT3 O ATOM 38504 H1 TIP3 1893 45.477 4.943 34.841 1.00 0.00 WT3 H ATOM 38505 H2 TIP3 1893 44.512 6.028 34.413 1.00 0.00 WT3 H ATOM 38506 OH2 TIP3 1894 89.287 87.416 -7.899 1.00 0.00 WT3 O ATOM 38507 H1 TIP3 1894 89.643 88.197 -8.323 1.00 0.00 WT3 H ATOM 38508 H2 TIP3 1894 90.056 86.885 -7.689 1.00 0.00 WT3 H ATOM 38509 OH2 TIP3 1895 45.518 18.940 50.676 1.00 0.00 WT3 O ATOM 38510 H1 TIP3 1895 44.632 18.972 50.316 1.00 0.00 WT3 H ATOM 38511 H2 TIP3 1895 45.999 18.364 50.082 1.00 0.00 WT3 H ATOM 38512 OH2 TIP3 1896 77.671 66.617 66.717 1.00 0.00 WT3 O ATOM 38513 H1 TIP3 1896 77.185 65.807 66.870 1.00 0.00 WT3 H ATOM 38514 H2 TIP3 1896 77.793 66.648 65.768 1.00 0.00 WT3 H ATOM 38515 OH2 TIP3 1897 36.910 75.821 15.601 1.00 0.00 WT3 O ATOM 38516 H1 TIP3 1897 37.264 75.151 16.186 1.00 0.00 WT3 H ATOM 38517 H2 TIP3 1897 37.172 75.537 14.725 1.00 0.00 WT3 H ATOM 38518 OH2 TIP3 1898 85.312 67.850 26.984 1.00 0.00 WT3 O ATOM 38519 H1 TIP3 1898 84.887 67.403 27.716 1.00 0.00 WT3 H ATOM 38520 H2 TIP3 1898 85.829 67.168 26.555 1.00 0.00 WT3 H ATOM 38521 OH2 TIP3 1899 30.598 73.068 1.635 1.00 0.00 WT3 O ATOM 38522 H1 TIP3 1899 30.917 72.165 1.622 1.00 0.00 WT3 H ATOM 38523 H2 TIP3 1899 30.229 73.179 2.511 1.00 0.00 WT3 H ATOM 38524 OH2 TIP3 1900 54.615 63.682 54.352 1.00 0.00 WT3 O ATOM 38525 H1 TIP3 1900 54.694 63.330 53.466 1.00 0.00 WT3 H ATOM 38526 H2 TIP3 1900 53.674 63.681 54.529 1.00 0.00 WT3 H ATOM 38527 OH2 TIP3 1901 27.634 87.805 62.363 1.00 0.00 WT3 O ATOM 38528 H1 TIP3 1901 26.940 88.383 62.681 1.00 0.00 WT3 H ATOM 38529 H2 TIP3 1901 28.376 88.388 62.201 1.00 0.00 WT3 H ATOM 38530 OH2 TIP3 1902 29.276 65.452 25.677 1.00 0.00 WT3 O ATOM 38531 H1 TIP3 1902 30.196 65.714 25.675 1.00 0.00 WT3 H ATOM 38532 H2 TIP3 1902 28.855 66.058 26.287 1.00 0.00 WT3 H ATOM 38533 OH2 TIP3 1903 50.800 22.688 21.653 1.00 0.00 WT3 O ATOM 38534 H1 TIP3 1903 50.791 22.792 20.702 1.00 0.00 WT3 H ATOM 38535 H2 TIP3 1903 51.432 23.338 21.959 1.00 0.00 WT3 H ATOM 38536 OH2 TIP3 1904 65.396 55.082 -11.921 1.00 0.00 WT3 O ATOM 38537 H1 TIP3 1904 64.901 54.375 -11.507 1.00 0.00 WT3 H ATOM 38538 H2 TIP3 1904 64.727 55.687 -12.243 1.00 0.00 WT3 H ATOM 38539 OH2 TIP3 1905 23.112 93.435 39.163 1.00 0.00 WT3 O ATOM 38540 H1 TIP3 1905 23.476 92.554 39.257 1.00 0.00 WT3 H ATOM 38541 H2 TIP3 1905 22.514 93.369 38.419 1.00 0.00 WT3 H ATOM 38542 OH2 TIP3 1906 33.439 82.078 -5.700 1.00 0.00 WT3 O ATOM 38543 H1 TIP3 1906 33.056 82.288 -4.848 1.00 0.00 WT3 H ATOM 38544 H2 TIP3 1906 33.806 81.201 -5.589 1.00 0.00 WT3 H ATOM 38545 OH2 TIP3 1907 89.327 88.284 7.364 1.00 0.00 WT3 O ATOM 38546 H1 TIP3 1907 89.959 87.659 7.720 1.00 0.00 WT3 H ATOM 38547 H2 TIP3 1907 88.799 87.769 6.754 1.00 0.00 WT3 H ATOM 38548 OH2 TIP3 1908 34.880 24.584 19.088 1.00 0.00 WT3 O ATOM 38549 H1 TIP3 1908 34.997 24.086 18.279 1.00 0.00 WT3 H ATOM 38550 H2 TIP3 1908 35.770 24.754 19.396 1.00 0.00 WT3 H ATOM 38551 OH2 TIP3 1909 62.469 88.721 -12.180 1.00 0.00 WT3 O ATOM 38552 H1 TIP3 1909 62.267 88.877 -11.257 1.00 0.00 WT3 H ATOM 38553 H2 TIP3 1909 61.626 88.803 -12.627 1.00 0.00 WT3 H ATOM 38554 OH2 TIP3 1911 74.289 28.461 -11.522 1.00 0.00 WT3 O ATOM 38555 H1 TIP3 1911 75.078 28.996 -11.432 1.00 0.00 WT3 H ATOM 38556 H2 TIP3 1911 73.762 28.679 -10.753 1.00 0.00 WT3 H ATOM 38557 OH2 TIP3 1912 56.726 92.429 13.167 1.00 0.00 WT3 O ATOM 38558 H1 TIP3 1912 57.014 93.001 13.879 1.00 0.00 WT3 H ATOM 38559 H2 TIP3 1912 57.486 92.363 12.589 1.00 0.00 WT3 H ATOM 38560 OH2 TIP3 1914 84.050 59.999 -7.520 1.00 0.00 WT3 O ATOM 38561 H1 TIP3 1914 84.327 59.407 -6.820 1.00 0.00 WT3 H ATOM 38562 H2 TIP3 1914 84.408 59.611 -8.318 1.00 0.00 WT3 H ATOM 38563 OH2 TIP3 1915 52.425 6.765 64.618 1.00 0.00 WT3 O ATOM 38564 H1 TIP3 1915 53.259 6.473 64.250 1.00 0.00 WT3 H ATOM 38565 H2 TIP3 1915 52.287 6.199 65.377 1.00 0.00 WT3 H ATOM 38566 OH2 TIP3 1917 48.350 17.652 36.703 1.00 0.00 WT3 O ATOM 38567 H1 TIP3 1917 48.552 16.719 36.771 1.00 0.00 WT3 H ATOM 38568 H2 TIP3 1917 48.369 17.834 35.764 1.00 0.00 WT3 H ATOM 38569 OH2 TIP3 1919 86.595 39.119 40.781 1.00 0.00 WT3 O ATOM 38570 H1 TIP3 1919 86.397 39.983 41.143 1.00 0.00 WT3 H ATOM 38571 H2 TIP3 1919 86.496 38.520 41.521 1.00 0.00 WT3 H ATOM 38572 OH2 TIP3 1920 24.386 74.244 -11.589 1.00 0.00 WT3 O ATOM 38573 H1 TIP3 1920 24.979 74.992 -11.521 1.00 0.00 WT3 H ATOM 38574 H2 TIP3 1920 24.850 73.529 -11.153 1.00 0.00 WT3 H ATOM 38575 OH2 TIP3 1921 20.215 73.904 28.946 1.00 0.00 WT3 O ATOM 38576 H1 TIP3 1921 20.593 73.126 29.358 1.00 0.00 WT3 H ATOM 38577 H2 TIP3 1921 20.717 74.015 28.139 1.00 0.00 WT3 H ATOM 38578 OH2 TIP3 1922 25.260 68.348 40.364 1.00 0.00 WT3 O ATOM 38579 H1 TIP3 1922 26.157 68.270 40.039 1.00 0.00 WT3 H ATOM 38580 H2 TIP3 1922 24.839 68.962 39.762 1.00 0.00 WT3 H ATOM 38581 OH2 TIP3 1923 50.516 52.488 47.598 1.00 0.00 WT3 O ATOM 38582 H1 TIP3 1923 51.298 52.882 47.211 1.00 0.00 WT3 H ATOM 38583 H2 TIP3 1923 49.994 52.203 46.848 1.00 0.00 WT3 H ATOM 38584 OH2 TIP3 1925 24.048 55.393 5.328 1.00 0.00 WT3 O ATOM 38585 H1 TIP3 1925 24.690 55.091 5.971 1.00 0.00 WT3 H ATOM 38586 H2 TIP3 1925 24.077 56.347 5.391 1.00 0.00 WT3 H ATOM 38587 OH2 TIP3 1926 21.829 56.651 57.172 1.00 0.00 WT3 O ATOM 38588 H1 TIP3 1926 21.941 56.968 58.068 1.00 0.00 WT3 H ATOM 38589 H2 TIP3 1926 20.979 56.997 56.900 1.00 0.00 WT3 H ATOM 38590 OH2 TIP3 1927 23.314 28.833 42.710 1.00 0.00 WT3 O ATOM 38591 H1 TIP3 1927 23.027 29.520 42.109 1.00 0.00 WT3 H ATOM 38592 H2 TIP3 1927 22.723 28.907 43.459 1.00 0.00 WT3 H ATOM 38593 OH2 TIP3 1928 74.050 75.046 -1.658 1.00 0.00 WT3 O ATOM 38594 H1 TIP3 1928 73.567 74.260 -1.912 1.00 0.00 WT3 H ATOM 38595 H2 TIP3 1928 73.691 75.283 -0.803 1.00 0.00 WT3 H ATOM 38596 OH2 TIP3 1929 73.696 82.890 22.397 1.00 0.00 WT3 O ATOM 38597 H1 TIP3 1929 73.357 83.755 22.169 1.00 0.00 WT3 H ATOM 38598 H2 TIP3 1929 74.090 82.565 21.587 1.00 0.00 WT3 H ATOM 38599 OH2 TIP3 1930 28.710 -0.306 59.598 1.00 0.00 WT3 O ATOM 38600 H1 TIP3 1930 29.007 0.216 60.343 1.00 0.00 WT3 H ATOM 38601 H2 TIP3 1930 27.913 0.133 59.300 1.00 0.00 WT3 H ATOM 38602 OH2 TIP3 1931 27.099 65.169 64.713 1.00 0.00 WT3 O ATOM 38603 H1 TIP3 1931 27.572 65.186 63.881 1.00 0.00 WT3 H ATOM 38604 H2 TIP3 1931 27.266 66.028 65.101 1.00 0.00 WT3 H ATOM 38605 OH2 TIP3 1932 59.369 47.590 -3.232 1.00 0.00 WT3 O ATOM 38606 H1 TIP3 1932 58.592 48.107 -3.445 1.00 0.00 WT3 H ATOM 38607 H2 TIP3 1932 59.651 47.919 -2.379 1.00 0.00 WT3 H ATOM 38608 OH2 TIP3 1935 75.136 26.757 -14.517 1.00 0.00 WT3 O ATOM 38609 H1 TIP3 1935 75.437 27.457 -13.938 1.00 0.00 WT3 H ATOM 38610 H2 TIP3 1935 75.436 25.952 -14.096 1.00 0.00 WT3 H ATOM 38611 OH2 TIP3 1936 80.828 82.406 -13.501 1.00 0.00 WT3 O ATOM 38612 H1 TIP3 1936 80.781 83.362 -13.489 1.00 0.00 WT3 H ATOM 38613 H2 TIP3 1936 79.917 82.122 -13.577 1.00 0.00 WT3 H ATOM 38614 OH2 TIP3 1937 38.941 96.014 46.435 1.00 0.00 WT3 O ATOM 38615 H1 TIP3 1937 39.158 95.119 46.175 1.00 0.00 WT3 H ATOM 38616 H2 TIP3 1937 38.853 96.489 45.609 1.00 0.00 WT3 H ATOM 38617 OH2 TIP3 1938 27.391 81.474 60.686 1.00 0.00 WT3 O ATOM 38618 H1 TIP3 1938 27.981 80.966 61.242 1.00 0.00 WT3 H ATOM 38619 H2 TIP3 1938 27.964 81.886 60.039 1.00 0.00 WT3 H ATOM 38620 OH2 TIP3 1940 55.423 4.401 56.413 1.00 0.00 WT3 O ATOM 38621 H1 TIP3 1940 54.486 4.451 56.602 1.00 0.00 WT3 H ATOM 38622 H2 TIP3 1940 55.468 4.172 55.484 1.00 0.00 WT3 H ATOM 38623 OH2 TIP3 1941 32.586 44.881 -14.717 1.00 0.00 WT3 O ATOM 38624 H1 TIP3 1941 33.227 44.316 -14.287 1.00 0.00 WT3 H ATOM 38625 H2 TIP3 1941 31.768 44.717 -14.248 1.00 0.00 WT3 H ATOM 38626 OH2 TIP3 1943 33.823 37.821 18.400 1.00 0.00 WT3 O ATOM 38627 H1 TIP3 1943 33.358 37.664 19.222 1.00 0.00 WT3 H ATOM 38628 H2 TIP3 1943 34.541 38.407 18.639 1.00 0.00 WT3 H ATOM 38629 OH2 TIP3 1944 89.464 95.528 8.614 1.00 0.00 WT3 O ATOM 38630 H1 TIP3 1944 88.663 96.049 8.668 1.00 0.00 WT3 H ATOM 38631 H2 TIP3 1944 89.295 94.902 7.909 1.00 0.00 WT3 H ATOM 38632 OH2 TIP3 1945 29.561 76.501 11.832 1.00 0.00 WT3 O ATOM 38633 H1 TIP3 1945 29.505 77.296 12.361 1.00 0.00 WT3 H ATOM 38634 H2 TIP3 1945 28.782 75.998 12.070 1.00 0.00 WT3 H ATOM 38635 OH2 TIP3 1947 32.075 43.002 45.043 1.00 0.00 WT3 O ATOM 38636 H1 TIP3 1947 31.927 42.178 45.505 1.00 0.00 WT3 H ATOM 38637 H2 TIP3 1947 31.800 42.826 44.143 1.00 0.00 WT3 H ATOM 38638 OH2 TIP3 1948 58.411 87.651 24.647 1.00 0.00 WT3 O ATOM 38639 H1 TIP3 1948 58.908 86.885 24.937 1.00 0.00 WT3 H ATOM 38640 H2 TIP3 1948 57.902 87.911 25.415 1.00 0.00 WT3 H ATOM 38641 OH2 TIP3 1949 22.677 52.953 18.550 1.00 0.00 WT3 O ATOM 38642 H1 TIP3 1949 23.633 52.912 18.542 1.00 0.00 WT3 H ATOM 38643 H2 TIP3 1949 22.448 53.386 17.728 1.00 0.00 WT3 H ATOM 38644 OH2 TIP3 1950 23.899 83.025 55.186 1.00 0.00 WT3 O ATOM 38645 H1 TIP3 1950 23.237 82.720 55.807 1.00 0.00 WT3 H ATOM 38646 H2 TIP3 1950 23.395 83.431 54.480 1.00 0.00 WT3 H ATOM 38647 OH2 TIP3 1951 88.487 83.236 57.273 1.00 0.00 WT3 O ATOM 38648 H1 TIP3 1951 89.089 83.276 56.531 1.00 0.00 WT3 H ATOM 38649 H2 TIP3 1951 89.051 83.085 58.032 1.00 0.00 WT3 H ATOM 38650 OH2 TIP3 1952 90.554 81.506 -3.955 1.00 0.00 WT3 O ATOM 38651 H1 TIP3 1952 90.366 82.121 -3.246 1.00 0.00 WT3 H ATOM 38652 H2 TIP3 1952 89.693 81.255 -4.290 1.00 0.00 WT3 H ATOM 38653 OH2 TIP3 1954 23.598 91.417 66.630 1.00 0.00 WT3 O ATOM 38654 H1 TIP3 1954 22.945 91.062 67.233 1.00 0.00 WT3 H ATOM 38655 H2 TIP3 1954 24.220 90.701 66.500 1.00 0.00 WT3 H ATOM 38656 OH2 TIP3 1955 64.888 89.941 61.081 1.00 0.00 WT3 O ATOM 38657 H1 TIP3 1955 64.384 89.160 60.850 1.00 0.00 WT3 H ATOM 38658 H2 TIP3 1955 64.317 90.428 61.675 1.00 0.00 WT3 H ATOM 38659 OH2 TIP3 1956 27.551 25.655 63.116 1.00 0.00 WT3 O ATOM 38660 H1 TIP3 1956 27.746 26.381 62.524 1.00 0.00 WT3 H ATOM 38661 H2 TIP3 1956 27.291 26.076 63.935 1.00 0.00 WT3 H ATOM 38662 OH2 TIP3 1957 27.749 92.297 51.378 1.00 0.00 WT3 O ATOM 38663 H1 TIP3 1957 28.408 91.741 50.963 1.00 0.00 WT3 H ATOM 38664 H2 TIP3 1957 26.911 91.922 51.106 1.00 0.00 WT3 H ATOM 38665 OH2 TIP3 1958 40.130 36.974 46.247 1.00 0.00 WT3 O ATOM 38666 H1 TIP3 1958 40.821 37.065 45.591 1.00 0.00 WT3 H ATOM 38667 H2 TIP3 1958 39.365 36.683 45.752 1.00 0.00 WT3 H ATOM 38668 OH2 TIP3 1960 63.778 79.625 -20.002 1.00 0.00 WT3 O ATOM 38669 H1 TIP3 1960 64.421 80.189 -19.571 1.00 0.00 WT3 H ATOM 38670 H2 TIP3 1960 64.125 78.740 -19.896 1.00 0.00 WT3 H ATOM 38671 OH2 TIP3 1961 67.009 13.725 23.538 1.00 0.00 WT3 O ATOM 38672 H1 TIP3 1961 67.954 13.687 23.687 1.00 0.00 WT3 H ATOM 38673 H2 TIP3 1961 66.690 14.356 24.183 1.00 0.00 WT3 H ATOM 38674 OH2 TIP3 1962 31.633 19.370 30.677 1.00 0.00 WT3 O ATOM 38675 H1 TIP3 1962 31.048 20.002 31.095 1.00 0.00 WT3 H ATOM 38676 H2 TIP3 1962 31.803 19.738 29.810 1.00 0.00 WT3 H ATOM 38677 OH2 TIP3 1965 65.212 9.283 6.320 1.00 0.00 WT3 O ATOM 38678 H1 TIP3 1965 64.330 9.388 6.676 1.00 0.00 WT3 H ATOM 38679 H2 TIP3 1965 65.788 9.631 7.000 1.00 0.00 WT3 H ATOM 38680 OH2 TIP3 1966 81.970 81.147 2.504 1.00 0.00 WT3 O ATOM 38681 H1 TIP3 1966 81.626 81.981 2.182 1.00 0.00 WT3 H ATOM 38682 H2 TIP3 1966 81.193 80.648 2.755 1.00 0.00 WT3 H ATOM 38683 OH2 TIP3 1967 85.931 81.366 27.691 1.00 0.00 WT3 O ATOM 38684 H1 TIP3 1967 86.150 80.484 27.392 1.00 0.00 WT3 H ATOM 38685 H2 TIP3 1967 86.761 81.841 27.668 1.00 0.00 WT3 H ATOM 38686 OH2 TIP3 1969 26.764 58.654 -1.450 1.00 0.00 WT3 O ATOM 38687 H1 TIP3 1969 26.740 58.024 -0.730 1.00 0.00 WT3 H ATOM 38688 H2 TIP3 1969 27.438 59.285 -1.195 1.00 0.00 WT3 H ATOM 38689 OH2 TIP3 1970 37.944 94.417 0.044 1.00 0.00 WT3 O ATOM 38690 H1 TIP3 1970 37.936 93.982 -0.808 1.00 0.00 WT3 H ATOM 38691 H2 TIP3 1970 38.735 94.090 0.473 1.00 0.00 WT3 H ATOM 38692 OH2 TIP3 1971 62.546 56.657 32.860 1.00 0.00 WT3 O ATOM 38693 H1 TIP3 1971 62.129 56.066 33.487 1.00 0.00 WT3 H ATOM 38694 H2 TIP3 1971 61.845 57.245 32.580 1.00 0.00 WT3 H ATOM 38695 OH2 TIP3 1973 89.226 89.893 30.815 1.00 0.00 WT3 O ATOM 38696 H1 TIP3 1973 89.661 89.345 30.161 1.00 0.00 WT3 H ATOM 38697 H2 TIP3 1973 88.799 90.582 30.305 1.00 0.00 WT3 H ATOM 38698 OH2 TIP3 1974 22.594 77.712 -3.574 1.00 0.00 WT3 O ATOM 38699 H1 TIP3 1974 23.523 77.683 -3.344 1.00 0.00 WT3 H ATOM 38700 H2 TIP3 1974 22.142 77.809 -2.735 1.00 0.00 WT3 H ATOM 38701 OH2 TIP3 1977 22.817 19.434 0.741 1.00 0.00 WT3 O ATOM 38702 H1 TIP3 1977 21.908 19.147 0.825 1.00 0.00 WT3 H ATOM 38703 H2 TIP3 1977 22.766 20.258 0.258 1.00 0.00 WT3 H ATOM 38704 OH2 TIP3 1982 59.510 17.748 39.066 1.00 0.00 WT3 O ATOM 38705 H1 TIP3 1982 59.058 18.260 38.395 1.00 0.00 WT3 H ATOM 38706 H2 TIP3 1982 59.032 16.920 39.099 1.00 0.00 WT3 H ATOM 38707 OH2 TIP3 1983 51.796 78.140 1.892 1.00 0.00 WT3 O ATOM 38708 H1 TIP3 1983 51.704 77.508 2.605 1.00 0.00 WT3 H ATOM 38709 H2 TIP3 1983 51.379 78.936 2.222 1.00 0.00 WT3 H ATOM 38710 OH2 TIP3 1987 22.117 61.241 -18.993 1.00 0.00 WT3 O ATOM 38711 H1 TIP3 1987 22.325 61.563 -19.870 1.00 0.00 WT3 H ATOM 38712 H2 TIP3 1987 21.787 60.354 -19.135 1.00 0.00 WT3 H ATOM 38713 OH2 TIP3 1988 38.227 96.679 34.710 1.00 0.00 WT3 O ATOM 38714 H1 TIP3 1988 38.198 96.057 33.983 1.00 0.00 WT3 H ATOM 38715 H2 TIP3 1988 38.793 97.385 34.399 1.00 0.00 WT3 H ATOM 38716 OH2 TIP3 1991 25.926 87.541 38.829 1.00 0.00 WT3 O ATOM 38717 H1 TIP3 1991 25.309 86.810 38.791 1.00 0.00 WT3 H ATOM 38718 H2 TIP3 1991 25.497 88.243 38.339 1.00 0.00 WT3 H ATOM 38719 OH2 TIP3 1993 71.356 96.631 -7.207 1.00 0.00 WT3 O ATOM 38720 H1 TIP3 1993 71.149 95.719 -7.004 1.00 0.00 WT3 H ATOM 38721 H2 TIP3 1993 71.961 96.900 -6.516 1.00 0.00 WT3 H ATOM 38722 OH2 TIP3 1994 21.787 72.960 -0.119 1.00 0.00 WT3 O ATOM 38723 H1 TIP3 1994 21.644 72.617 -1.001 1.00 0.00 WT3 H ATOM 38724 H2 TIP3 1994 22.484 73.608 -0.224 1.00 0.00 WT3 H ATOM 38725 OH2 TIP3 1995 30.622 36.560 5.828 1.00 0.00 WT3 O ATOM 38726 H1 TIP3 1995 30.572 37.166 5.088 1.00 0.00 WT3 H ATOM 38727 H2 TIP3 1995 31.163 37.013 6.474 1.00 0.00 WT3 H ATOM 38728 OH2 TIP3 1997 69.215 26.222 46.065 1.00 0.00 WT3 O ATOM 38729 H1 TIP3 1997 68.698 27.008 46.240 1.00 0.00 WT3 H ATOM 38730 H2 TIP3 1997 70.032 26.550 45.689 1.00 0.00 WT3 H ATOM 38731 OH2 TIP3 2002 49.485 66.663 -5.825 1.00 0.00 WT3 O ATOM 38732 H1 TIP3 2002 49.845 67.550 -5.831 1.00 0.00 WT3 H ATOM 38733 H2 TIP3 2002 48.621 66.757 -5.423 1.00 0.00 WT3 H ATOM 38734 OH2 TIP3 2003 34.720 26.157 40.092 1.00 0.00 WT3 O ATOM 38735 H1 TIP3 2003 35.479 25.605 40.283 1.00 0.00 WT3 H ATOM 38736 H2 TIP3 2003 34.820 26.392 39.170 1.00 0.00 WT3 H ATOM 38737 OH2 TIP3 2008 65.803 69.540 26.542 1.00 0.00 WT3 O ATOM 38738 H1 TIP3 2008 65.409 68.920 25.928 1.00 0.00 WT3 H ATOM 38739 H2 TIP3 2008 65.396 69.337 27.384 1.00 0.00 WT3 H ATOM 38740 OH2 TIP3 2009 72.086 10.540 43.216 1.00 0.00 WT3 O ATOM 38741 H1 TIP3 2009 72.543 9.741 43.479 1.00 0.00 WT3 H ATOM 38742 H2 TIP3 2009 71.184 10.260 43.061 1.00 0.00 WT3 H ATOM 38743 OH2 TIP3 2012 85.687 7.082 47.360 1.00 0.00 WT3 O ATOM 38744 H1 TIP3 2012 86.441 6.962 46.783 1.00 0.00 WT3 H ATOM 38745 H2 TIP3 2012 84.932 6.849 46.819 1.00 0.00 WT3 H ATOM 38746 OH2 TIP3 2020 34.667 52.242 66.171 1.00 0.00 WT3 O ATOM 38747 H1 TIP3 2020 34.632 51.326 66.448 1.00 0.00 WT3 H ATOM 38748 H2 TIP3 2020 35.587 52.391 65.952 1.00 0.00 WT3 H ATOM 38749 OH2 TIP3 2021 24.812 59.571 52.179 1.00 0.00 WT3 O ATOM 38750 H1 TIP3 2021 24.663 59.750 53.107 1.00 0.00 WT3 H ATOM 38751 H2 TIP3 2021 25.268 60.347 51.854 1.00 0.00 WT3 H ATOM 38752 OH2 TIP3 2028 43.331 5.063 51.463 1.00 0.00 WT3 O ATOM 38753 H1 TIP3 2028 43.723 5.499 50.706 1.00 0.00 WT3 H ATOM 38754 H2 TIP3 2028 43.784 4.221 51.515 1.00 0.00 WT3 H ATOM 38755 OH2 TIP3 2035 63.420 70.612 46.500 1.00 0.00 WT3 O ATOM 38756 H1 TIP3 2035 63.155 70.736 45.589 1.00 0.00 WT3 H ATOM 38757 H2 TIP3 2035 63.370 69.666 46.638 1.00 0.00 WT3 H ATOM 38758 OH2 TIP3 2049 76.667 90.536 45.677 1.00 0.00 WT3 O ATOM 38759 H1 TIP3 2049 77.398 90.054 46.063 1.00 0.00 WT3 H ATOM 38760 H2 TIP3 2049 76.940 90.705 44.775 1.00 0.00 WT3 H ATOM 38761 OH2 TIP3 2105 20.421 96.252 30.042 1.00 0.00 WT3 O ATOM 38762 H1 TIP3 2105 20.195 97.181 30.089 1.00 0.00 WT3 H ATOM 38763 H2 TIP3 2105 21.375 96.241 29.956 1.00 0.00 WT3 H ATOM 38764 OH2 TIP3 2123 85.685 81.464 12.130 1.00 0.00 WT3 O ATOM 38765 H1 TIP3 2123 85.178 82.260 12.292 1.00 0.00 WT3 H ATOM 38766 H2 TIP3 2123 85.120 80.754 12.434 1.00 0.00 WT3 H ATOM 38767 OH2 TIP3 2127 53.407 66.118 -7.677 1.00 0.00 WT3 O ATOM 38768 H1 TIP3 2127 53.425 66.267 -6.732 1.00 0.00 WT3 H ATOM 38769 H2 TIP3 2127 53.905 65.310 -7.802 1.00 0.00 WT3 H ATOM 38770 OH2 TIP3 2133 69.020 15.680 38.737 1.00 0.00 WT3 O ATOM 38771 H1 TIP3 2133 68.195 15.265 38.988 1.00 0.00 WT3 H ATOM 38772 H2 TIP3 2133 69.198 15.348 37.858 1.00 0.00 WT3 H ATOM 38773 OH2 TIP3 2145 27.160 84.995 4.415 1.00 0.00 WT3 O ATOM 38774 H1 TIP3 2145 27.929 85.071 3.850 1.00 0.00 WT3 H ATOM 38775 H2 TIP3 2145 27.393 85.485 5.204 1.00 0.00 WT3 H ATOM 38776 OH2 TIP3 2147 29.394 74.549 -8.564 1.00 0.00 WT3 O ATOM 38777 H1 TIP3 2147 28.691 74.021 -8.184 1.00 0.00 WT3 H ATOM 38778 H2 TIP3 2147 30.029 74.647 -7.855 1.00 0.00 WT3 H ATOM 38779 OH2 TIP3 2151 23.738 86.439 65.212 1.00 0.00 WT3 O ATOM 38780 H1 TIP3 2151 24.286 87.222 65.158 1.00 0.00 WT3 H ATOM 38781 H2 TIP3 2151 23.441 86.416 66.121 1.00 0.00 WT3 H ATOM 38782 OH2 TIP3 2163 59.995 35.398 44.242 1.00 0.00 WT3 O ATOM 38783 H1 TIP3 2163 60.137 36.340 44.337 1.00 0.00 WT3 H ATOM 38784 H2 TIP3 2163 60.862 35.043 44.045 1.00 0.00 WT3 H ATOM 38785 OH2 TIP3 2165 57.756 23.503 61.160 1.00 0.00 WT3 O ATOM 38786 H1 TIP3 2165 56.909 23.195 60.836 1.00 0.00 WT3 H ATOM 38787 H2 TIP3 2165 57.716 23.366 62.106 1.00 0.00 WT3 H ATOM 38788 OH2 TIP3 2167 39.631 95.852 -5.057 1.00 0.00 WT3 O ATOM 38789 H1 TIP3 2167 40.315 95.447 -4.525 1.00 0.00 WT3 H ATOM 38790 H2 TIP3 2167 40.090 96.510 -5.578 1.00 0.00 WT3 H ATOM 38791 OH2 TIP3 2172 31.377 10.322 6.742 1.00 0.00 WT3 O ATOM 38792 H1 TIP3 2172 31.149 9.557 7.271 1.00 0.00 WT3 H ATOM 38793 H2 TIP3 2172 32.065 10.762 7.241 1.00 0.00 WT3 H ATOM 38794 OH2 TIP3 2180 54.671 25.147 30.518 1.00 0.00 WT3 O ATOM 38795 H1 TIP3 2180 54.096 24.411 30.726 1.00 0.00 WT3 H ATOM 38796 H2 TIP3 2180 54.247 25.581 29.778 1.00 0.00 WT3 H ATOM 38797 OH2 TIP3 2184 41.977 24.765 48.083 1.00 0.00 WT3 O ATOM 38798 H1 TIP3 2184 42.551 25.275 47.511 1.00 0.00 WT3 H ATOM 38799 H2 TIP3 2184 41.462 24.224 47.484 1.00 0.00 WT3 H ATOM 38800 OH2 TIP3 2185 60.085 63.808 44.759 1.00 0.00 WT3 O ATOM 38801 H1 TIP3 2185 59.406 63.709 45.426 1.00 0.00 WT3 H ATOM 38802 H2 TIP3 2185 59.612 64.081 43.973 1.00 0.00 WT3 H ATOM 38803 OH2 TIP3 2186 25.955 71.510 55.800 1.00 0.00 WT3 O ATOM 38804 H1 TIP3 2186 26.430 71.833 56.566 1.00 0.00 WT3 H ATOM 38805 H2 TIP3 2186 26.326 71.996 55.065 1.00 0.00 WT3 H ATOM 38806 OH2 TIP3 2187 33.209 74.167 14.010 1.00 0.00 WT3 O ATOM 38807 H1 TIP3 2187 33.520 74.477 14.861 1.00 0.00 WT3 H ATOM 38808 H2 TIP3 2187 33.834 73.487 13.759 1.00 0.00 WT3 H ATOM 38809 OH2 TIP3 2197 23.765 42.676 55.750 1.00 0.00 WT3 O ATOM 38810 H1 TIP3 2197 23.158 43.073 55.125 1.00 0.00 WT3 H ATOM 38811 H2 TIP3 2197 23.654 43.188 56.551 1.00 0.00 WT3 H ATOM 38812 OH2 TIP3 2198 38.869 54.319 -14.876 1.00 0.00 WT3 O ATOM 38813 H1 TIP3 2198 39.426 54.919 -14.380 1.00 0.00 WT3 H ATOM 38814 H2 TIP3 2198 39.483 53.761 -15.353 1.00 0.00 WT3 H ATOM 38815 OH2 TIP3 2200 40.454 80.198 35.196 1.00 0.00 WT3 O ATOM 38816 H1 TIP3 2200 40.056 79.401 34.847 1.00 0.00 WT3 H ATOM 38817 H2 TIP3 2200 41.124 80.433 34.554 1.00 0.00 WT3 H ATOM 38818 OH2 TIP3 2201 46.111 86.808 58.409 1.00 0.00 WT3 O ATOM 38819 H1 TIP3 2201 45.588 87.314 59.030 1.00 0.00 WT3 H ATOM 38820 H2 TIP3 2201 46.439 86.067 58.919 1.00 0.00 WT3 H ATOM 38821 OH2 TIP3 2203 78.820 94.537 27.091 1.00 0.00 WT3 O ATOM 38822 H1 TIP3 2203 78.490 95.391 27.368 1.00 0.00 WT3 H ATOM 38823 H2 TIP3 2203 79.574 94.375 27.658 1.00 0.00 WT3 H ATOM 38824 OH2 TIP3 2208 25.972 92.384 61.822 1.00 0.00 WT3 O ATOM 38825 H1 TIP3 2208 25.723 93.003 62.509 1.00 0.00 WT3 H ATOM 38826 H2 TIP3 2208 25.483 92.672 61.051 1.00 0.00 WT3 H ATOM 38827 OH2 TIP3 2211 76.429 77.991 56.284 1.00 0.00 WT3 O ATOM 38828 H1 TIP3 2211 76.240 77.498 55.486 1.00 0.00 WT3 H ATOM 38829 H2 TIP3 2211 75.582 78.066 56.725 1.00 0.00 WT3 H ATOM 38830 OH2 TIP3 2212 77.723 26.456 67.060 1.00 0.00 WT3 O ATOM 38831 H1 TIP3 2212 78.337 25.801 66.729 1.00 0.00 WT3 H ATOM 38832 H2 TIP3 2212 78.118 26.766 67.875 1.00 0.00 WT3 H ATOM 38833 OH2 TIP3 2213 54.197 17.178 66.846 1.00 0.00 WT3 O ATOM 38834 H1 TIP3 2213 54.364 17.326 65.915 1.00 0.00 WT3 H ATOM 38835 H2 TIP3 2213 55.067 17.123 67.240 1.00 0.00 WT3 H ATOM 38836 OH2 TIP3 2217 78.745 76.000 1.485 1.00 0.00 WT3 O ATOM 38837 H1 TIP3 2217 78.826 75.097 1.180 1.00 0.00 WT3 H ATOM 38838 H2 TIP3 2217 78.788 76.528 0.688 1.00 0.00 WT3 H ATOM 38839 OH2 TIP3 2219 74.484 37.688 26.904 1.00 0.00 WT3 O ATOM 38840 H1 TIP3 2219 75.208 38.173 26.508 1.00 0.00 WT3 H ATOM 38841 H2 TIP3 2219 74.895 37.160 27.589 1.00 0.00 WT3 H ATOM 38842 OH2 TIP3 2227 85.126 85.560 0.648 1.00 0.00 WT3 O ATOM 38843 H1 TIP3 2227 85.618 85.023 1.268 1.00 0.00 WT3 H ATOM 38844 H2 TIP3 2227 85.796 85.954 0.088 1.00 0.00 WT3 H ATOM 38845 OH2 TIP3 2229 65.750 21.691 -2.642 1.00 0.00 WT3 O ATOM 38846 H1 TIP3 2229 65.914 21.452 -1.730 1.00 0.00 WT3 H ATOM 38847 H2 TIP3 2229 66.510 22.215 -2.894 1.00 0.00 WT3 H ATOM 38848 OH2 TIP3 2231 73.360 96.615 47.809 1.00 0.00 WT3 O ATOM 38849 H1 TIP3 2231 73.241 95.839 47.262 1.00 0.00 WT3 H ATOM 38850 H2 TIP3 2231 74.147 96.428 48.322 1.00 0.00 WT3 H ATOM 38851 OH2 TIP3 2232 29.984 81.800 36.582 1.00 0.00 WT3 O ATOM 38852 H1 TIP3 2232 29.258 81.446 37.096 1.00 0.00 WT3 H ATOM 38853 H2 TIP3 2232 30.231 82.605 37.039 1.00 0.00 WT3 H ATOM 38854 OH2 TIP3 2234 44.171 14.458 9.504 1.00 0.00 WT3 O ATOM 38855 H1 TIP3 2234 44.974 14.037 9.197 1.00 0.00 WT3 H ATOM 38856 H2 TIP3 2234 44.158 14.289 10.446 1.00 0.00 WT3 H ATOM 38857 OH2 TIP3 2236 40.102 95.872 27.859 1.00 0.00 WT3 O ATOM 38858 H1 TIP3 2236 39.406 96.342 27.399 1.00 0.00 WT3 H ATOM 38859 H2 TIP3 2236 40.716 96.556 28.126 1.00 0.00 WT3 H ATOM 38860 OH2 TIP3 2238 44.763 8.014 -6.137 1.00 0.00 WT3 O ATOM 38861 H1 TIP3 2238 44.971 7.225 -6.636 1.00 0.00 WT3 H ATOM 38862 H2 TIP3 2238 44.312 8.581 -6.762 1.00 0.00 WT3 H ATOM 38863 OH2 TIP3 2240 29.170 40.796 25.896 1.00 0.00 WT3 O ATOM 38864 H1 TIP3 2240 29.079 41.068 24.983 1.00 0.00 WT3 H ATOM 38865 H2 TIP3 2240 30.062 41.049 26.135 1.00 0.00 WT3 H ATOM 38866 OH2 TIP3 2241 31.713 34.338 -8.492 1.00 0.00 WT3 O ATOM 38867 H1 TIP3 2241 30.946 34.725 -8.070 1.00 0.00 WT3 H ATOM 38868 H2 TIP3 2241 31.724 33.431 -8.184 1.00 0.00 WT3 H ATOM 38869 OH2 TIP3 2242 29.084 71.140 16.384 1.00 0.00 WT3 O ATOM 38870 H1 TIP3 2242 29.683 71.452 17.063 1.00 0.00 WT3 H ATOM 38871 H2 TIP3 2242 29.279 70.207 16.303 1.00 0.00 WT3 H ATOM 38872 OH2 TIP3 2244 80.802 54.388 54.652 1.00 0.00 WT3 O ATOM 38873 H1 TIP3 2244 80.054 53.889 54.979 1.00 0.00 WT3 H ATOM 38874 H2 TIP3 2244 80.604 55.296 54.881 1.00 0.00 WT3 H ATOM 38875 OH2 TIP3 2247 52.405 87.360 32.382 1.00 0.00 WT3 O ATOM 38876 H1 TIP3 2247 51.661 87.203 31.800 1.00 0.00 WT3 H ATOM 38877 H2 TIP3 2247 52.176 88.161 32.853 1.00 0.00 WT3 H ATOM 38878 OH2 TIP3 2248 44.213 91.230 60.130 1.00 0.00 WT3 O ATOM 38879 H1 TIP3 2248 45.027 91.733 60.108 1.00 0.00 WT3 H ATOM 38880 H2 TIP3 2248 43.909 91.226 59.223 1.00 0.00 WT3 H ATOM 38881 OH2 TIP3 2249 32.134 53.290 28.778 1.00 0.00 WT3 O ATOM 38882 H1 TIP3 2249 32.812 53.161 28.114 1.00 0.00 WT3 H ATOM 38883 H2 TIP3 2249 31.517 53.901 28.376 1.00 0.00 WT3 H ATOM 38884 OH2 TIP3 2250 59.442 58.905 19.724 1.00 0.00 WT3 O ATOM 38885 H1 TIP3 2250 58.540 58.928 19.403 1.00 0.00 WT3 H ATOM 38886 H2 TIP3 2250 59.764 59.797 19.597 1.00 0.00 WT3 H ATOM 38887 OH2 TIP3 2251 60.444 28.382 -8.862 1.00 0.00 WT3 O ATOM 38888 H1 TIP3 2251 59.811 28.325 -9.578 1.00 0.00 WT3 H ATOM 38889 H2 TIP3 2251 59.910 28.374 -8.068 1.00 0.00 WT3 H ATOM 38890 OH2 TIP3 2253 24.386 96.656 1.274 1.00 0.00 WT3 O ATOM 38891 H1 TIP3 2253 24.880 97.102 1.962 1.00 0.00 WT3 H ATOM 38892 H2 TIP3 2253 23.617 96.302 1.722 1.00 0.00 WT3 H ATOM 38893 OH2 TIP3 2254 84.299 95.622 -7.721 1.00 0.00 WT3 O ATOM 38894 H1 TIP3 2254 83.507 95.087 -7.784 1.00 0.00 WT3 H ATOM 38895 H2 TIP3 2254 84.597 95.716 -8.625 1.00 0.00 WT3 H ATOM 38896 OH2 TIP3 2256 85.774 14.775 -8.428 1.00 0.00 WT3 O ATOM 38897 H1 TIP3 2256 84.827 14.680 -8.538 1.00 0.00 WT3 H ATOM 38898 H2 TIP3 2256 85.871 15.467 -7.773 1.00 0.00 WT3 H ATOM 38899 OH2 TIP3 2257 39.599 64.119 56.928 1.00 0.00 WT3 O ATOM 38900 H1 TIP3 2257 38.728 64.498 57.049 1.00 0.00 WT3 H ATOM 38901 H2 TIP3 2257 40.066 64.325 57.737 1.00 0.00 WT3 H ATOM 38902 OH2 TIP3 2260 51.097 93.101 43.646 1.00 0.00 WT3 O ATOM 38903 H1 TIP3 2260 51.741 93.535 43.086 1.00 0.00 WT3 H ATOM 38904 H2 TIP3 2260 50.514 92.649 43.037 1.00 0.00 WT3 H ATOM 38905 OH2 TIP3 2261 69.220 88.501 27.436 1.00 0.00 WT3 O ATOM 38906 H1 TIP3 2261 70.067 88.219 27.781 1.00 0.00 WT3 H ATOM 38907 H2 TIP3 2261 68.752 87.687 27.252 1.00 0.00 WT3 H ATOM 38908 OH2 TIP3 2263 88.832 56.984 44.206 1.00 0.00 WT3 O ATOM 38909 H1 TIP3 2263 89.368 56.641 43.491 1.00 0.00 WT3 H ATOM 38910 H2 TIP3 2263 89.458 57.405 44.795 1.00 0.00 WT3 H ATOM 38911 OH2 TIP3 2264 59.488 56.754 40.484 1.00 0.00 WT3 O ATOM 38912 H1 TIP3 2264 58.758 57.334 40.267 1.00 0.00 WT3 H ATOM 38913 H2 TIP3 2264 59.081 56.014 40.935 1.00 0.00 WT3 H ATOM 38914 OH2 TIP3 2265 47.496 50.345 34.340 1.00 0.00 WT3 O ATOM 38915 H1 TIP3 2265 47.266 50.681 33.474 1.00 0.00 WT3 H ATOM 38916 H2 TIP3 2265 46.966 49.554 34.439 1.00 0.00 WT3 H ATOM 38917 OH2 TIP3 2268 80.271 15.358 42.091 1.00 0.00 WT3 O ATOM 38918 H1 TIP3 2268 80.964 15.632 41.489 1.00 0.00 WT3 H ATOM 38919 H2 TIP3 2268 80.704 14.755 42.696 1.00 0.00 WT3 H ATOM 38920 OH2 TIP3 2269 90.633 89.641 64.073 1.00 0.00 WT3 O ATOM 38921 H1 TIP3 2269 91.276 89.134 63.578 1.00 0.00 WT3 H ATOM 38922 H2 TIP3 2269 90.319 89.038 64.747 1.00 0.00 WT3 H ATOM 38923 OH2 TIP3 2270 83.473 90.899 -10.991 1.00 0.00 WT3 O ATOM 38924 H1 TIP3 2270 82.726 91.437 -10.727 1.00 0.00 WT3 H ATOM 38925 H2 TIP3 2270 83.927 91.426 -11.649 1.00 0.00 WT3 H ATOM 38926 OH2 TIP3 2271 85.145 18.639 -5.469 1.00 0.00 WT3 O ATOM 38927 H1 TIP3 2271 84.907 18.365 -4.583 1.00 0.00 WT3 H ATOM 38928 H2 TIP3 2271 84.646 19.443 -5.613 1.00 0.00 WT3 H ATOM 38929 OH2 TIP3 2272 23.717 75.696 -13.949 1.00 0.00 WT3 O ATOM 38930 H1 TIP3 2272 23.840 75.257 -13.107 1.00 0.00 WT3 H ATOM 38931 H2 TIP3 2272 24.094 76.567 -13.822 1.00 0.00 WT3 H ATOM 38932 OH2 TIP3 2273 78.426 15.298 -5.200 1.00 0.00 WT3 O ATOM 38933 H1 TIP3 2273 78.846 15.148 -4.353 1.00 0.00 WT3 H ATOM 38934 H2 TIP3 2273 77.611 14.798 -5.155 1.00 0.00 WT3 H ATOM 38935 OH2 TIP3 2274 80.147 45.247 18.853 1.00 0.00 WT3 O ATOM 38936 H1 TIP3 2274 79.980 45.520 19.755 1.00 0.00 WT3 H ATOM 38937 H2 TIP3 2274 79.345 45.474 18.382 1.00 0.00 WT3 H ATOM 38938 OH2 TIP3 2275 46.253 92.817 38.114 1.00 0.00 WT3 O ATOM 38939 H1 TIP3 2275 45.754 93.565 37.786 1.00 0.00 WT3 H ATOM 38940 H2 TIP3 2275 45.830 92.054 37.720 1.00 0.00 WT3 H ATOM 38941 OH2 TIP3 2277 43.830 80.862 1.544 1.00 0.00 WT3 O ATOM 38942 H1 TIP3 2277 43.544 80.073 1.082 1.00 0.00 WT3 H ATOM 38943 H2 TIP3 2277 44.322 81.358 0.890 1.00 0.00 WT3 H ATOM 38944 OH2 TIP3 2279 33.681 83.933 31.721 1.00 0.00 WT3 O ATOM 38945 H1 TIP3 2279 33.802 83.693 32.640 1.00 0.00 WT3 H ATOM 38946 H2 TIP3 2279 33.570 83.098 31.267 1.00 0.00 WT3 H ATOM 38947 OH2 TIP3 2280 64.095 64.956 -5.662 1.00 0.00 WT3 O ATOM 38948 H1 TIP3 2280 63.779 65.856 -5.741 1.00 0.00 WT3 H ATOM 38949 H2 TIP3 2280 63.892 64.708 -4.761 1.00 0.00 WT3 H ATOM 38950 OH2 TIP3 2281 26.938 85.163 36.204 1.00 0.00 WT3 O ATOM 38951 H1 TIP3 2281 27.105 84.299 35.827 1.00 0.00 WT3 H ATOM 38952 H2 TIP3 2281 27.762 85.405 36.626 1.00 0.00 WT3 H ATOM 38953 OH2 TIP3 2282 70.261 43.612 28.649 1.00 0.00 WT3 O ATOM 38954 H1 TIP3 2282 69.487 44.172 28.712 1.00 0.00 WT3 H ATOM 38955 H2 TIP3 2282 70.289 43.343 27.731 1.00 0.00 WT3 H ATOM 38956 OH2 TIP3 2283 62.699 9.829 61.099 1.00 0.00 WT3 O ATOM 38957 H1 TIP3 2283 62.631 8.911 61.362 1.00 0.00 WT3 H ATOM 38958 H2 TIP3 2283 63.111 10.262 61.847 1.00 0.00 WT3 H ATOM 38959 OH2 TIP3 2284 57.233 88.352 -5.516 1.00 0.00 WT3 O ATOM 38960 H1 TIP3 2284 56.420 88.067 -5.931 1.00 0.00 WT3 H ATOM 38961 H2 TIP3 2284 56.983 88.564 -4.617 1.00 0.00 WT3 H ATOM 38962 OH2 TIP3 2286 61.361 29.003 29.807 1.00 0.00 WT3 O ATOM 38963 H1 TIP3 2286 60.622 29.488 30.173 1.00 0.00 WT3 H ATOM 38964 H2 TIP3 2286 61.510 29.402 28.950 1.00 0.00 WT3 H ATOM 38965 OH2 TIP3 2287 23.008 12.705 59.250 1.00 0.00 WT3 O ATOM 38966 H1 TIP3 2287 23.650 13.054 58.632 1.00 0.00 WT3 H ATOM 38967 H2 TIP3 2287 23.467 12.689 60.090 1.00 0.00 WT3 H ATOM 38968 OH2 TIP3 2288 89.852 13.057 54.455 1.00 0.00 WT3 O ATOM 38969 H1 TIP3 2288 89.919 13.649 53.706 1.00 0.00 WT3 H ATOM 38970 H2 TIP3 2288 89.066 13.345 54.919 1.00 0.00 WT3 H ATOM 38971 OH2 TIP3 2289 25.645 64.076 33.486 1.00 0.00 WT3 O ATOM 38972 H1 TIP3 2289 25.382 64.912 33.103 1.00 0.00 WT3 H ATOM 38973 H2 TIP3 2289 25.313 63.417 32.876 1.00 0.00 WT3 H ATOM 38974 OH2 TIP3 2291 43.964 81.463 26.722 1.00 0.00 WT3 O ATOM 38975 H1 TIP3 2291 44.090 80.957 27.524 1.00 0.00 WT3 H ATOM 38976 H2 TIP3 2291 43.923 82.373 27.016 1.00 0.00 WT3 H ATOM 38977 OH2 TIP3 2292 33.274 63.105 67.132 1.00 0.00 WT3 O ATOM 38978 H1 TIP3 2292 33.639 62.398 67.665 1.00 0.00 WT3 H ATOM 38979 H2 TIP3 2292 32.327 63.028 67.247 1.00 0.00 WT3 H ATOM 38980 OH2 TIP3 2293 49.111 82.973 32.755 1.00 0.00 WT3 O ATOM 38981 H1 TIP3 2293 49.836 82.658 32.215 1.00 0.00 WT3 H ATOM 38982 H2 TIP3 2293 48.335 82.554 32.383 1.00 0.00 WT3 H ATOM 38983 OH2 TIP3 2294 82.892 85.787 58.988 1.00 0.00 WT3 O ATOM 38984 H1 TIP3 2294 82.664 86.034 58.091 1.00 0.00 WT3 H ATOM 38985 H2 TIP3 2294 82.295 86.296 59.536 1.00 0.00 WT3 H ATOM 38986 OH2 TIP3 2295 36.141 19.204 -9.592 1.00 0.00 WT3 O ATOM 38987 H1 TIP3 2295 35.629 20.003 -9.464 1.00 0.00 WT3 H ATOM 38988 H2 TIP3 2295 36.072 18.739 -8.759 1.00 0.00 WT3 H ATOM 38989 OH2 TIP3 2296 66.499 89.708 -14.890 1.00 0.00 WT3 O ATOM 38990 H1 TIP3 2296 66.615 90.276 -15.652 1.00 0.00 WT3 H ATOM 38991 H2 TIP3 2296 65.595 89.399 -14.957 1.00 0.00 WT3 H ATOM 38992 OH2 TIP3 2297 79.846 57.405 12.338 1.00 0.00 WT3 O ATOM 38993 H1 TIP3 2297 80.503 57.440 13.033 1.00 0.00 WT3 H ATOM 38994 H2 TIP3 2297 79.191 56.785 12.658 1.00 0.00 WT3 H ATOM 38995 OH2 TIP3 2299 50.845 94.634 61.338 1.00 0.00 WT3 O ATOM 38996 H1 TIP3 2299 50.219 94.691 60.616 1.00 0.00 WT3 H ATOM 38997 H2 TIP3 2299 50.443 95.137 62.046 1.00 0.00 WT3 H ATOM 38998 OH2 TIP3 2300 71.268 80.063 -6.974 1.00 0.00 WT3 O ATOM 38999 H1 TIP3 2300 71.926 80.304 -6.322 1.00 0.00 WT3 H ATOM 39000 H2 TIP3 2300 71.496 80.580 -7.747 1.00 0.00 WT3 H ATOM 39001 OH2 TIP3 2301 77.601 54.559 24.351 1.00 0.00 WT3 O ATOM 39002 H1 TIP3 2301 76.757 54.451 24.790 1.00 0.00 WT3 H ATOM 39003 H2 TIP3 2301 77.863 53.670 24.112 1.00 0.00 WT3 H ATOM 39004 OH2 TIP3 2302 76.531 21.098 55.074 1.00 0.00 WT3 O ATOM 39005 H1 TIP3 2302 77.192 21.480 54.497 1.00 0.00 WT3 H ATOM 39006 H2 TIP3 2302 76.168 20.368 54.573 1.00 0.00 WT3 H ATOM 39007 OH2 TIP3 2303 80.631 25.796 57.342 1.00 0.00 WT3 O ATOM 39008 H1 TIP3 2303 79.856 25.574 56.825 1.00 0.00 WT3 H ATOM 39009 H2 TIP3 2303 80.714 25.078 57.969 1.00 0.00 WT3 H ATOM 39010 OH2 TIP3 2304 31.028 50.271 31.359 1.00 0.00 WT3 O ATOM 39011 H1 TIP3 2304 30.260 50.702 31.735 1.00 0.00 WT3 H ATOM 39012 H2 TIP3 2304 30.694 49.821 30.583 1.00 0.00 WT3 H ATOM 39013 OH2 TIP3 2306 34.293 23.232 37.222 1.00 0.00 WT3 O ATOM 39014 H1 TIP3 2306 35.099 23.748 37.218 1.00 0.00 WT3 H ATOM 39015 H2 TIP3 2306 34.444 22.546 36.572 1.00 0.00 WT3 H ATOM 39016 OH2 TIP3 2307 34.958 76.477 39.174 1.00 0.00 WT3 O ATOM 39017 H1 TIP3 2307 34.152 76.952 39.374 1.00 0.00 WT3 H ATOM 39018 H2 TIP3 2307 35.190 76.760 38.289 1.00 0.00 WT3 H ATOM 39019 OH2 TIP3 2309 45.358 94.020 14.141 1.00 0.00 WT3 O ATOM 39020 H1 TIP3 2309 44.777 94.092 13.384 1.00 0.00 WT3 H ATOM 39021 H2 TIP3 2309 46.189 94.390 13.842 1.00 0.00 WT3 H ATOM 39022 OH2 TIP3 2310 87.795 16.991 67.049 1.00 0.00 WT3 O ATOM 39023 H1 TIP3 2310 88.546 16.417 67.201 1.00 0.00 WT3 H ATOM 39024 H2 TIP3 2310 87.807 17.156 66.106 1.00 0.00 WT3 H ATOM 39025 OH2 TIP3 2311 20.745 54.919 -4.310 1.00 0.00 WT3 O ATOM 39026 H1 TIP3 2311 21.212 54.132 -4.029 1.00 0.00 WT3 H ATOM 39027 H2 TIP3 2311 21.347 55.352 -4.915 1.00 0.00 WT3 H ATOM 39028 OH2 TIP3 2313 76.137 33.732 24.815 1.00 0.00 WT3 O ATOM 39029 H1 TIP3 2313 75.858 33.562 23.916 1.00 0.00 WT3 H ATOM 39030 H2 TIP3 2313 76.747 34.465 24.743 1.00 0.00 WT3 H ATOM 39031 OH2 TIP3 2314 64.764 72.013 26.788 1.00 0.00 WT3 O ATOM 39032 H1 TIP3 2314 65.153 71.238 26.381 1.00 0.00 WT3 H ATOM 39033 H2 TIP3 2314 63.834 71.957 26.568 1.00 0.00 WT3 H ATOM 39034 OH2 TIP3 2315 27.767 14.016 38.663 1.00 0.00 WT3 O ATOM 39035 H1 TIP3 2315 28.034 13.383 37.997 1.00 0.00 WT3 H ATOM 39036 H2 TIP3 2315 28.256 14.810 38.449 1.00 0.00 WT3 H ATOM 39037 OH2 TIP3 2316 73.069 93.014 -0.815 1.00 0.00 WT3 O ATOM 39038 H1 TIP3 2316 72.542 93.644 -1.306 1.00 0.00 WT3 H ATOM 39039 H2 TIP3 2316 73.285 93.465 0.001 1.00 0.00 WT3 H ATOM 39040 OH2 TIP3 2317 31.813 91.861 12.436 1.00 0.00 WT3 O ATOM 39041 H1 TIP3 2317 30.972 92.318 12.414 1.00 0.00 WT3 H ATOM 39042 H2 TIP3 2317 32.435 92.518 12.748 1.00 0.00 WT3 H ATOM 39043 OH2 TIP3 2318 51.355 12.276 35.818 1.00 0.00 WT3 O ATOM 39044 H1 TIP3 2318 50.605 11.813 35.444 1.00 0.00 WT3 H ATOM 39045 H2 TIP3 2318 51.024 12.651 36.633 1.00 0.00 WT3 H ATOM 39046 OH2 TIP3 2319 32.103 10.842 25.269 1.00 0.00 WT3 O ATOM 39047 H1 TIP3 2319 32.321 10.517 24.396 1.00 0.00 WT3 H ATOM 39048 H2 TIP3 2319 31.331 11.392 25.135 1.00 0.00 WT3 H ATOM 39049 OH2 TIP3 2320 29.577 90.682 55.786 1.00 0.00 WT3 O ATOM 39050 H1 TIP3 2320 30.301 91.234 56.081 1.00 0.00 WT3 H ATOM 39051 H2 TIP3 2320 28.949 91.295 55.403 1.00 0.00 WT3 H ATOM 39052 OH2 TIP3 2321 56.257 21.942 14.249 1.00 0.00 WT3 O ATOM 39053 H1 TIP3 2321 55.345 21.654 14.292 1.00 0.00 WT3 H ATOM 39054 H2 TIP3 2321 56.332 22.606 14.934 1.00 0.00 WT3 H ATOM 39055 OH2 TIP3 2322 63.905 88.763 -15.072 1.00 0.00 WT3 O ATOM 39056 H1 TIP3 2322 63.370 88.115 -15.530 1.00 0.00 WT3 H ATOM 39057 H2 TIP3 2322 63.539 88.793 -14.187 1.00 0.00 WT3 H ATOM 39058 OH2 TIP3 2324 28.037 75.635 54.587 1.00 0.00 WT3 O ATOM 39059 H1 TIP3 2324 28.753 75.186 55.034 1.00 0.00 WT3 H ATOM 39060 H2 TIP3 2324 28.430 76.443 54.255 1.00 0.00 WT3 H ATOM 39061 OH2 TIP3 2325 52.864 94.129 12.621 1.00 0.00 WT3 O ATOM 39062 H1 TIP3 2325 53.392 94.857 12.294 1.00 0.00 WT3 H ATOM 39063 H2 TIP3 2325 52.987 93.434 11.974 1.00 0.00 WT3 H ATOM 39064 OH2 TIP3 2326 21.411 76.996 4.237 1.00 0.00 WT3 O ATOM 39065 H1 TIP3 2326 21.245 76.954 5.179 1.00 0.00 WT3 H ATOM 39066 H2 TIP3 2326 21.877 76.184 4.038 1.00 0.00 WT3 H ATOM 39067 OH2 TIP3 2327 83.029 48.132 -7.463 1.00 0.00 WT3 O ATOM 39068 H1 TIP3 2327 83.502 48.964 -7.466 1.00 0.00 WT3 H ATOM 39069 H2 TIP3 2327 82.105 48.381 -7.479 1.00 0.00 WT3 H ATOM 39070 OH2 TIP3 2328 29.019 92.621 53.866 1.00 0.00 WT3 O ATOM 39071 H1 TIP3 2328 29.965 92.578 53.724 1.00 0.00 WT3 H ATOM 39072 H2 TIP3 2328 28.640 92.531 52.992 1.00 0.00 WT3 H ATOM 39073 OH2 TIP3 2329 71.844 42.929 0.841 1.00 0.00 WT3 O ATOM 39074 H1 TIP3 2329 71.985 43.645 1.462 1.00 0.00 WT3 H ATOM 39075 H2 TIP3 2329 72.705 42.521 0.746 1.00 0.00 WT3 H ATOM 39076 OH2 TIP3 2330 30.838 82.559 57.247 1.00 0.00 WT3 O ATOM 39077 H1 TIP3 2330 30.897 81.604 57.229 1.00 0.00 WT3 H ATOM 39078 H2 TIP3 2330 30.213 82.774 56.554 1.00 0.00 WT3 H ATOM 39079 OH2 TIP3 2331 26.044 70.898 -17.609 1.00 0.00 WT3 O ATOM 39080 H1 TIP3 2331 25.873 70.084 -17.135 1.00 0.00 WT3 H ATOM 39081 H2 TIP3 2331 26.634 71.390 -17.037 1.00 0.00 WT3 H ATOM 39082 OH2 TIP3 2332 86.990 42.298 64.993 1.00 0.00 WT3 O ATOM 39083 H1 TIP3 2332 87.078 41.843 64.156 1.00 0.00 WT3 H ATOM 39084 H2 TIP3 2332 87.601 43.032 64.933 1.00 0.00 WT3 H ATOM 39085 OH2 TIP3 2333 43.563 57.091 67.288 1.00 0.00 WT3 O ATOM 39086 H1 TIP3 2333 44.492 56.861 67.323 1.00 0.00 WT3 H ATOM 39087 H2 TIP3 2333 43.516 57.802 66.649 1.00 0.00 WT3 H ATOM 39088 OH2 TIP3 2334 70.435 11.016 36.779 1.00 0.00 WT3 O ATOM 39089 H1 TIP3 2334 71.305 11.412 36.827 1.00 0.00 WT3 H ATOM 39090 H2 TIP3 2334 69.862 11.730 36.496 1.00 0.00 WT3 H ATOM 39091 OH2 TIP3 2335 31.924 2.247 66.011 1.00 0.00 WT3 O ATOM 39092 H1 TIP3 2335 31.962 1.345 65.695 1.00 0.00 WT3 H ATOM 39093 H2 TIP3 2335 32.222 2.196 66.920 1.00 0.00 WT3 H ATOM 39094 OH2 TIP3 2339 48.777 65.447 62.902 1.00 0.00 WT3 O ATOM 39095 H1 TIP3 2339 48.417 66.332 62.956 1.00 0.00 WT3 H ATOM 39096 H2 TIP3 2339 49.381 65.479 62.160 1.00 0.00 WT3 H ATOM 39097 OH2 TIP3 2340 71.866 91.929 -12.195 1.00 0.00 WT3 O ATOM 39098 H1 TIP3 2340 72.526 91.260 -12.013 1.00 0.00 WT3 H ATOM 39099 H2 TIP3 2340 72.233 92.439 -12.916 1.00 0.00 WT3 H ATOM 39100 OH2 TIP3 2341 22.441 80.052 48.529 1.00 0.00 WT3 O ATOM 39101 H1 TIP3 2341 21.982 79.969 47.692 1.00 0.00 WT3 H ATOM 39102 H2 TIP3 2341 22.493 79.157 48.863 1.00 0.00 WT3 H ATOM 39103 OH2 TIP3 2342 78.322 91.177 -6.680 1.00 0.00 WT3 O ATOM 39104 H1 TIP3 2342 78.388 91.659 -5.855 1.00 0.00 WT3 H ATOM 39105 H2 TIP3 2342 77.468 91.425 -7.035 1.00 0.00 WT3 H ATOM 39106 OH2 TIP3 2345 81.882 62.054 64.960 1.00 0.00 WT3 O ATOM 39107 H1 TIP3 2345 81.591 61.244 65.380 1.00 0.00 WT3 H ATOM 39108 H2 TIP3 2345 82.768 62.192 65.296 1.00 0.00 WT3 H ATOM 39109 OH2 TIP3 2346 67.195 59.097 -11.100 1.00 0.00 WT3 O ATOM 39110 H1 TIP3 2346 67.304 58.641 -11.934 1.00 0.00 WT3 H ATOM 39111 H2 TIP3 2346 67.123 60.021 -11.339 1.00 0.00 WT3 H ATOM 39112 OH2 TIP3 2347 83.706 54.760 35.916 1.00 0.00 WT3 O ATOM 39113 H1 TIP3 2347 83.081 55.133 35.295 1.00 0.00 WT3 H ATOM 39114 H2 TIP3 2347 83.415 55.078 36.770 1.00 0.00 WT3 H ATOM 39115 OH2 TIP3 2348 43.814 20.628 -9.505 1.00 0.00 WT3 O ATOM 39116 H1 TIP3 2348 44.369 21.405 -9.449 1.00 0.00 WT3 H ATOM 39117 H2 TIP3 2348 43.133 20.864 -10.134 1.00 0.00 WT3 H ATOM 39118 OH2 TIP3 2349 44.700 52.467 54.450 1.00 0.00 WT3 O ATOM 39119 H1 TIP3 2349 43.764 52.665 54.410 1.00 0.00 WT3 H ATOM 39120 H2 TIP3 2349 44.889 52.386 55.385 1.00 0.00 WT3 H ATOM 39121 OH2 TIP3 2350 38.672 76.785 64.898 1.00 0.00 WT3 O ATOM 39122 H1 TIP3 2350 38.500 76.583 63.978 1.00 0.00 WT3 H ATOM 39123 H2 TIP3 2350 38.818 75.932 65.307 1.00 0.00 WT3 H ATOM 39124 OH2 TIP3 2351 55.876 55.662 58.398 1.00 0.00 WT3 O ATOM 39125 H1 TIP3 2351 55.025 55.819 57.988 1.00 0.00 WT3 H ATOM 39126 H2 TIP3 2351 55.793 54.797 58.800 1.00 0.00 WT3 H ATOM 39127 OH2 TIP3 2352 88.313 33.044 32.233 1.00 0.00 WT3 O ATOM 39128 H1 TIP3 2352 88.899 32.830 32.959 1.00 0.00 WT3 H ATOM 39129 H2 TIP3 2352 88.588 33.918 31.953 1.00 0.00 WT3 H ATOM 39130 OH2 TIP3 2353 40.482 24.379 6.938 1.00 0.00 WT3 O ATOM 39131 H1 TIP3 2353 41.400 24.288 7.192 1.00 0.00 WT3 H ATOM 39132 H2 TIP3 2353 40.332 25.325 6.916 1.00 0.00 WT3 H ATOM 39133 OH2 TIP3 2355 89.596 17.589 5.403 1.00 0.00 WT3 O ATOM 39134 H1 TIP3 2355 90.174 18.269 5.058 1.00 0.00 WT3 H ATOM 39135 H2 TIP3 2355 89.247 17.960 6.214 1.00 0.00 WT3 H ATOM 39136 OH2 TIP3 2356 76.813 73.993 45.733 1.00 0.00 WT3 O ATOM 39137 H1 TIP3 2356 77.092 74.909 45.708 1.00 0.00 WT3 H ATOM 39138 H2 TIP3 2356 77.368 73.591 46.401 1.00 0.00 WT3 H ATOM 39139 OH2 TIP3 2357 86.397 3.910 -7.146 1.00 0.00 WT3 O ATOM 39140 H1 TIP3 2357 85.796 4.535 -7.552 1.00 0.00 WT3 H ATOM 39141 H2 TIP3 2357 86.692 3.356 -7.869 1.00 0.00 WT3 H ATOM 39142 OH2 TIP3 2358 87.806 37.883 -9.096 1.00 0.00 WT3 O ATOM 39143 H1 TIP3 2358 87.007 37.782 -9.614 1.00 0.00 WT3 H ATOM 39144 H2 TIP3 2358 87.885 37.060 -8.614 1.00 0.00 WT3 H ATOM 39145 OH2 TIP3 2359 27.781 5.459 66.011 1.00 0.00 WT3 O ATOM 39146 H1 TIP3 2359 28.528 4.931 66.293 1.00 0.00 WT3 H ATOM 39147 H2 TIP3 2359 27.336 4.917 65.360 1.00 0.00 WT3 H ATOM 39148 OH2 TIP3 2360 57.438 25.563 -5.693 1.00 0.00 WT3 O ATOM 39149 H1 TIP3 2360 56.523 25.730 -5.466 1.00 0.00 WT3 H ATOM 39150 H2 TIP3 2360 57.879 25.457 -4.850 1.00 0.00 WT3 H ATOM 39151 OH2 TIP3 2361 45.436 93.646 30.918 1.00 0.00 WT3 O ATOM 39152 H1 TIP3 2361 45.685 94.494 31.285 1.00 0.00 WT3 H ATOM 39153 H2 TIP3 2361 44.500 93.730 30.734 1.00 0.00 WT3 H ATOM 39154 OH2 TIP3 2362 68.442 44.246 57.387 1.00 0.00 WT3 O ATOM 39155 H1 TIP3 2362 69.282 44.703 57.437 1.00 0.00 WT3 H ATOM 39156 H2 TIP3 2362 67.815 44.853 57.779 1.00 0.00 WT3 H ATOM 39157 OH2 TIP3 2363 24.452 49.340 3.544 1.00 0.00 WT3 O ATOM 39158 H1 TIP3 2363 25.140 49.163 2.902 1.00 0.00 WT3 H ATOM 39159 H2 TIP3 2363 24.302 48.497 3.973 1.00 0.00 WT3 H ATOM 39160 OH2 TIP3 2365 52.278 89.859 33.353 1.00 0.00 WT3 O ATOM 39161 H1 TIP3 2365 52.290 90.814 33.293 1.00 0.00 WT3 H ATOM 39162 H2 TIP3 2365 51.659 89.671 34.059 1.00 0.00 WT3 H ATOM 39163 OH2 TIP3 2366 82.461 71.166 8.467 1.00 0.00 WT3 O ATOM 39164 H1 TIP3 2366 81.719 71.407 9.022 1.00 0.00 WT3 H ATOM 39165 H2 TIP3 2366 82.334 70.235 8.287 1.00 0.00 WT3 H ATOM 39166 OH2 TIP3 2367 21.682 71.262 23.400 1.00 0.00 WT3 O ATOM 39167 H1 TIP3 2367 21.370 71.024 22.527 1.00 0.00 WT3 H ATOM 39168 H2 TIP3 2367 21.464 70.508 23.947 1.00 0.00 WT3 H ATOM 39169 OH2 TIP3 2368 36.570 81.290 48.014 1.00 0.00 WT3 O ATOM 39170 H1 TIP3 2368 36.451 81.174 47.072 1.00 0.00 WT3 H ATOM 39171 H2 TIP3 2368 36.054 82.067 48.227 1.00 0.00 WT3 H ATOM 39172 OH2 TIP3 2374 21.821 71.138 48.732 1.00 0.00 WT3 O ATOM 39173 H1 TIP3 2374 21.175 70.874 48.077 1.00 0.00 WT3 H ATOM 39174 H2 TIP3 2374 22.353 71.800 48.289 1.00 0.00 WT3 H ATOM 39175 OH2 TIP3 2375 21.695 16.000 46.809 1.00 0.00 WT3 O ATOM 39176 H1 TIP3 2375 21.640 16.950 46.706 1.00 0.00 WT3 H ATOM 39177 H2 TIP3 2375 22.140 15.698 46.018 1.00 0.00 WT3 H ATOM 39178 OH2 TIP3 2376 20.242 26.194 19.394 1.00 0.00 WT3 O ATOM 39179 H1 TIP3 2376 20.161 25.461 18.784 1.00 0.00 WT3 H ATOM 39180 H2 TIP3 2376 20.349 26.962 18.833 1.00 0.00 WT3 H ATOM 39181 OH2 TIP3 2377 54.568 -0.260 45.104 1.00 0.00 WT3 O ATOM 39182 H1 TIP3 2377 55.454 0.048 44.910 1.00 0.00 WT3 H ATOM 39183 H2 TIP3 2377 54.002 0.264 44.537 1.00 0.00 WT3 H ATOM 39184 OH2 TIP3 2379 62.640 72.244 62.077 1.00 0.00 WT3 O ATOM 39185 H1 TIP3 2379 62.742 71.293 62.056 1.00 0.00 WT3 H ATOM 39186 H2 TIP3 2379 62.880 72.531 61.196 1.00 0.00 WT3 H ATOM 39187 OH2 TIP3 2380 43.002 4.868 4.548 1.00 0.00 WT3 O ATOM 39188 H1 TIP3 2380 43.268 3.958 4.680 1.00 0.00 WT3 H ATOM 39189 H2 TIP3 2380 43.217 5.303 5.373 1.00 0.00 WT3 H ATOM 39190 OH2 TIP3 2381 30.854 13.592 53.955 1.00 0.00 WT3 O ATOM 39191 H1 TIP3 2381 30.072 13.610 53.404 1.00 0.00 WT3 H ATOM 39192 H2 TIP3 2381 31.523 13.177 53.409 1.00 0.00 WT3 H ATOM 39193 OH2 TIP3 2384 33.468 33.133 42.071 1.00 0.00 WT3 O ATOM 39194 H1 TIP3 2384 32.864 32.420 42.281 1.00 0.00 WT3 H ATOM 39195 H2 TIP3 2384 34.292 32.879 42.486 1.00 0.00 WT3 H ATOM 39196 OH2 TIP3 2388 28.030 13.782 53.077 1.00 0.00 WT3 O ATOM 39197 H1 TIP3 2388 27.832 14.176 53.927 1.00 0.00 WT3 H ATOM 39198 H2 TIP3 2388 27.321 13.155 52.932 1.00 0.00 WT3 H ATOM 39199 OH2 TIP3 2390 50.435 83.898 3.963 1.00 0.00 WT3 O ATOM 39200 H1 TIP3 2390 51.059 83.233 4.252 1.00 0.00 WT3 H ATOM 39201 H2 TIP3 2390 49.974 83.492 3.229 1.00 0.00 WT3 H ATOM 39202 OH2 TIP3 2393 73.985 27.330 -4.791 1.00 0.00 WT3 O ATOM 39203 H1 TIP3 2393 74.752 27.607 -4.289 1.00 0.00 WT3 H ATOM 39204 H2 TIP3 2393 73.261 27.836 -4.423 1.00 0.00 WT3 H ATOM 39205 OH2 TIP3 2394 41.651 74.334 66.146 1.00 0.00 WT3 O ATOM 39206 H1 TIP3 2394 42.252 73.672 65.804 1.00 0.00 WT3 H ATOM 39207 H2 TIP3 2394 42.220 75.046 66.438 1.00 0.00 WT3 H ATOM 39208 OH2 TIP3 2396 88.727 14.385 40.333 1.00 0.00 WT3 O ATOM 39209 H1 TIP3 2396 89.681 14.354 40.404 1.00 0.00 WT3 H ATOM 39210 H2 TIP3 2396 88.506 15.305 40.479 1.00 0.00 WT3 H ATOM 39211 OH2 TIP3 2397 46.338 82.505 20.484 1.00 0.00 WT3 O ATOM 39212 H1 TIP3 2397 46.694 81.636 20.299 1.00 0.00 WT3 H ATOM 39213 H2 TIP3 2397 45.689 82.357 21.171 1.00 0.00 WT3 H ATOM 39214 OH2 TIP3 2398 29.886 30.998 -16.526 1.00 0.00 WT3 O ATOM 39215 H1 TIP3 2398 30.513 31.208 -15.834 1.00 0.00 WT3 H ATOM 39216 H2 TIP3 2398 29.029 31.101 -16.112 1.00 0.00 WT3 H ATOM 39217 OH2 TIP3 2402 52.093 72.953 62.254 1.00 0.00 WT3 O ATOM 39218 H1 TIP3 2402 51.789 73.781 61.884 1.00 0.00 WT3 H ATOM 39219 H2 TIP3 2402 52.117 72.351 61.510 1.00 0.00 WT3 H ATOM 39220 OH2 TIP3 2405 63.680 69.368 31.346 1.00 0.00 WT3 O ATOM 39221 H1 TIP3 2405 63.460 69.286 32.274 1.00 0.00 WT3 H ATOM 39222 H2 TIP3 2405 62.859 69.190 30.888 1.00 0.00 WT3 H ATOM 39223 OH2 TIP3 2406 76.417 76.614 -6.975 1.00 0.00 WT3 O ATOM 39224 H1 TIP3 2406 75.862 77.363 -7.196 1.00 0.00 WT3 H ATOM 39225 H2 TIP3 2406 75.991 76.215 -6.217 1.00 0.00 WT3 H ATOM 39226 OH2 TIP3 2407 69.028 69.557 63.117 1.00 0.00 WT3 O ATOM 39227 H1 TIP3 2407 69.617 68.936 62.688 1.00 0.00 WT3 H ATOM 39228 H2 TIP3 2407 68.441 69.851 62.420 1.00 0.00 WT3 H ATOM 39229 OH2 TIP3 2408 73.192 80.303 26.007 1.00 0.00 WT3 O ATOM 39230 H1 TIP3 2408 72.853 79.452 25.731 1.00 0.00 WT3 H ATOM 39231 H2 TIP3 2408 73.853 80.523 25.350 1.00 0.00 WT3 H ATOM 39232 OH2 TIP3 2409 23.100 94.240 57.932 1.00 0.00 WT3 O ATOM 39233 H1 TIP3 2409 23.044 95.174 58.135 1.00 0.00 WT3 H ATOM 39234 H2 TIP3 2409 23.406 94.210 57.025 1.00 0.00 WT3 H ATOM 39235 OH2 TIP3 2411 27.546 84.657 63.593 1.00 0.00 WT3 O ATOM 39236 H1 TIP3 2411 27.097 85.391 64.011 1.00 0.00 WT3 H ATOM 39237 H2 TIP3 2411 26.846 84.044 63.368 1.00 0.00 WT3 H ATOM 39238 OH2 TIP3 2412 64.967 88.503 28.331 1.00 0.00 WT3 O ATOM 39239 H1 TIP3 2412 64.027 88.334 28.275 1.00 0.00 WT3 H ATOM 39240 H2 TIP3 2412 65.257 88.548 27.419 1.00 0.00 WT3 H ATOM 39241 OH2 TIP3 2413 53.340 1.481 -9.129 1.00 0.00 WT3 O ATOM 39242 H1 TIP3 2413 53.021 0.584 -9.227 1.00 0.00 WT3 H ATOM 39243 H2 TIP3 2413 54.292 1.404 -9.185 1.00 0.00 WT3 H ATOM 39244 OH2 TIP3 2414 35.301 79.850 43.252 1.00 0.00 WT3 O ATOM 39245 H1 TIP3 2414 35.625 79.284 43.952 1.00 0.00 WT3 H ATOM 39246 H2 TIP3 2414 35.033 79.246 42.560 1.00 0.00 WT3 H ATOM 39247 OH2 TIP3 2415 76.910 11.360 51.298 1.00 0.00 WT3 O ATOM 39248 H1 TIP3 2415 76.568 10.903 52.066 1.00 0.00 WT3 H ATOM 39249 H2 TIP3 2415 76.583 12.255 51.386 1.00 0.00 WT3 H ATOM 39250 OH2 TIP3 2418 26.674 72.722 -6.991 1.00 0.00 WT3 O ATOM 39251 H1 TIP3 2418 27.117 71.956 -6.625 1.00 0.00 WT3 H ATOM 39252 H2 TIP3 2418 25.862 72.376 -7.362 1.00 0.00 WT3 H ATOM 39253 OH2 TIP3 2426 31.329 30.037 13.905 1.00 0.00 WT3 O ATOM 39254 H1 TIP3 2426 31.996 30.671 14.170 1.00 0.00 WT3 H ATOM 39255 H2 TIP3 2426 30.552 30.567 13.728 1.00 0.00 WT3 H ATOM 39256 OH2 TIP3 2427 70.491 0.383 8.273 1.00 0.00 WT3 O ATOM 39257 H1 TIP3 2427 70.029 1.217 8.196 1.00 0.00 WT3 H ATOM 39258 H2 TIP3 2427 71.334 0.535 7.845 1.00 0.00 WT3 H ATOM 39259 OH2 TIP3 2432 87.014 37.084 -19.953 1.00 0.00 WT3 O ATOM 39260 H1 TIP3 2432 86.814 37.441 -19.087 1.00 0.00 WT3 H ATOM 39261 H2 TIP3 2432 86.158 36.908 -20.343 1.00 0.00 WT3 H ATOM 39262 OH2 TIP3 2434 32.358 67.825 -15.318 1.00 0.00 WT3 O ATOM 39263 H1 TIP3 2434 33.123 68.398 -15.277 1.00 0.00 WT3 H ATOM 39264 H2 TIP3 2434 31.780 68.241 -15.957 1.00 0.00 WT3 H ATOM 39265 OH2 TIP3 2435 70.658 71.152 64.802 1.00 0.00 WT3 O ATOM 39266 H1 TIP3 2435 70.325 70.744 64.003 1.00 0.00 WT3 H ATOM 39267 H2 TIP3 2435 69.966 71.757 65.069 1.00 0.00 WT3 H ATOM 39268 OH2 TIP3 2436 86.385 71.182 -19.618 1.00 0.00 WT3 O ATOM 39269 H1 TIP3 2436 86.162 70.262 -19.759 1.00 0.00 WT3 H ATOM 39270 H2 TIP3 2436 85.543 71.637 -19.627 1.00 0.00 WT3 H ATOM 39271 OH2 TIP3 2444 86.937 59.592 15.261 1.00 0.00 WT3 O ATOM 39272 H1 TIP3 2444 87.361 58.841 14.846 1.00 0.00 WT3 H ATOM 39273 H2 TIP3 2444 86.683 60.157 14.532 1.00 0.00 WT3 H ATOM 39274 OH2 TIP3 2445 48.281 58.354 -4.034 1.00 0.00 WT3 O ATOM 39275 H1 TIP3 2445 48.443 57.591 -4.588 1.00 0.00 WT3 H ATOM 39276 H2 TIP3 2445 49.031 58.384 -3.441 1.00 0.00 WT3 H ATOM 39277 OH2 TIP3 2449 45.226 54.319 29.309 1.00 0.00 WT3 O ATOM 39278 H1 TIP3 2449 44.882 53.720 28.646 1.00 0.00 WT3 H ATOM 39279 H2 TIP3 2449 45.240 55.173 28.876 1.00 0.00 WT3 H ATOM 39280 OH2 TIP3 2451 22.561 77.328 -17.618 1.00 0.00 WT3 O ATOM 39281 H1 TIP3 2451 21.997 76.560 -17.530 1.00 0.00 WT3 H ATOM 39282 H2 TIP3 2451 23.315 77.017 -18.119 1.00 0.00 WT3 H ATOM 39283 OH2 TIP3 2453 80.366 0.508 61.355 1.00 0.00 WT3 O ATOM 39284 H1 TIP3 2453 81.250 0.832 61.180 1.00 0.00 WT3 H ATOM 39285 H2 TIP3 2453 80.440 0.053 62.195 1.00 0.00 WT3 H ATOM 39286 OH2 TIP3 2457 86.160 48.529 -12.018 1.00 0.00 WT3 O ATOM 39287 H1 TIP3 2457 86.553 48.522 -11.145 1.00 0.00 WT3 H ATOM 39288 H2 TIP3 2457 86.425 47.695 -12.407 1.00 0.00 WT3 H ATOM 39289 OH2 TIP3 2464 87.925 63.286 41.910 1.00 0.00 WT3 O ATOM 39290 H1 TIP3 2464 87.542 63.384 41.038 1.00 0.00 WT3 H ATOM 39291 H2 TIP3 2464 87.704 62.391 42.169 1.00 0.00 WT3 H ATOM 39292 OH2 TIP3 2469 78.189 24.117 2.776 1.00 0.00 WT3 O ATOM 39293 H1 TIP3 2469 78.291 24.960 3.218 1.00 0.00 WT3 H ATOM 39294 H2 TIP3 2469 79.038 23.959 2.363 1.00 0.00 WT3 H ATOM 39295 OH2 TIP3 2473 30.709 81.122 14.268 1.00 0.00 WT3 O ATOM 39296 H1 TIP3 2473 30.889 81.683 15.023 1.00 0.00 WT3 H ATOM 39297 H2 TIP3 2473 31.048 81.612 13.519 1.00 0.00 WT3 H ATOM 39298 OH2 TIP3 2475 76.551 64.023 -13.456 1.00 0.00 WT3 O ATOM 39299 H1 TIP3 2475 77.341 64.553 -13.565 1.00 0.00 WT3 H ATOM 39300 H2 TIP3 2475 75.913 64.621 -13.066 1.00 0.00 WT3 H ATOM 39301 OH2 TIP3 2476 78.660 72.661 54.840 1.00 0.00 WT3 O ATOM 39302 H1 TIP3 2476 79.381 72.584 55.466 1.00 0.00 WT3 H ATOM 39303 H2 TIP3 2476 78.247 73.499 55.052 1.00 0.00 WT3 H ATOM 39304 OH2 TIP3 2508 61.031 9.272 40.659 1.00 0.00 WT3 O ATOM 39305 H1 TIP3 2508 60.348 9.806 40.254 1.00 0.00 WT3 H ATOM 39306 H2 TIP3 2508 61.780 9.862 40.741 1.00 0.00 WT3 H ATOM 39307 OH2 TIP3 2513 21.901 75.189 -11.001 1.00 0.00 WT3 O ATOM 39308 H1 TIP3 2513 22.213 75.742 -11.717 1.00 0.00 WT3 H ATOM 39309 H2 TIP3 2513 22.618 74.575 -10.842 1.00 0.00 WT3 H ATOM 39310 OH2 TIP3 2561 90.182 28.428 5.380 1.00 0.00 WT3 O ATOM 39311 H1 TIP3 2561 90.058 28.370 6.328 1.00 0.00 WT3 H ATOM 39312 H2 TIP3 2561 90.376 29.351 5.220 1.00 0.00 WT3 H ATOM 39313 OH2 TIP3 2587 89.206 51.088 -16.865 1.00 0.00 WT3 O ATOM 39314 H1 TIP3 2587 88.383 51.072 -17.355 1.00 0.00 WT3 H ATOM 39315 H2 TIP3 2587 89.304 50.196 -16.533 1.00 0.00 WT3 H ATOM 39316 OH2 TIP3 2591 46.248 32.548 -5.447 1.00 0.00 WT3 O ATOM 39317 H1 TIP3 2591 45.689 33.183 -5.000 1.00 0.00 WT3 H ATOM 39318 H2 TIP3 2591 46.534 32.997 -6.242 1.00 0.00 WT3 H ATOM 39319 OH2 TIP3 2606 68.450 63.387 -8.703 1.00 0.00 WT3 O ATOM 39320 H1 TIP3 2606 68.400 63.457 -7.750 1.00 0.00 WT3 H ATOM 39321 H2 TIP3 2606 67.605 63.020 -8.962 1.00 0.00 WT3 H ATOM 39322 OH2 TIP3 2607 64.429 51.643 58.390 1.00 0.00 WT3 O ATOM 39323 H1 TIP3 2607 64.028 52.502 58.526 1.00 0.00 WT3 H ATOM 39324 H2 TIP3 2607 64.427 51.526 57.440 1.00 0.00 WT3 H ATOM 39325 OH2 TIP3 2608 45.302 49.981 -11.388 1.00 0.00 WT3 O ATOM 39326 H1 TIP3 2608 45.697 49.875 -10.523 1.00 0.00 WT3 H ATOM 39327 H2 TIP3 2608 44.665 50.687 -11.277 1.00 0.00 WT3 H ATOM 39328 OH2 TIP3 2610 44.542 91.104 26.432 1.00 0.00 WT3 O ATOM 39329 H1 TIP3 2610 45.112 91.873 26.409 1.00 0.00 WT3 H ATOM 39330 H2 TIP3 2610 43.847 91.338 27.047 1.00 0.00 WT3 H ATOM 39331 OH2 TIP3 2616 82.205 40.994 -9.067 1.00 0.00 WT3 O ATOM 39332 H1 TIP3 2616 82.163 40.298 -8.412 1.00 0.00 WT3 H ATOM 39333 H2 TIP3 2616 82.583 41.740 -8.601 1.00 0.00 WT3 H ATOM 39334 OH2 TIP3 2617 27.881 82.688 -19.138 1.00 0.00 WT3 O ATOM 39335 H1 TIP3 2617 28.378 82.070 -18.602 1.00 0.00 WT3 H ATOM 39336 H2 TIP3 2617 27.773 82.243 -19.978 1.00 0.00 WT3 H ATOM 39337 OH2 TIP3 2624 89.197 64.542 52.745 1.00 0.00 WT3 O ATOM 39338 H1 TIP3 2624 88.927 64.659 51.834 1.00 0.00 WT3 H ATOM 39339 H2 TIP3 2624 88.377 64.423 53.224 1.00 0.00 WT3 H ATOM 39340 OH2 TIP3 2626 28.954 80.435 66.333 1.00 0.00 WT3 O ATOM 39341 H1 TIP3 2626 29.642 79.774 66.419 1.00 0.00 WT3 H ATOM 39342 H2 TIP3 2626 29.414 81.271 66.410 1.00 0.00 WT3 H ATOM 39343 OH2 TIP3 2628 71.383 58.403 -14.236 1.00 0.00 WT3 O ATOM 39344 H1 TIP3 2628 72.070 58.864 -14.717 1.00 0.00 WT3 H ATOM 39345 H2 TIP3 2628 71.136 57.676 -14.808 1.00 0.00 WT3 H ATOM 39346 OH2 TIP3 2629 21.635 79.691 35.651 1.00 0.00 WT3 O ATOM 39347 H1 TIP3 2629 20.907 79.324 36.153 1.00 0.00 WT3 H ATOM 39348 H2 TIP3 2629 21.266 79.864 34.785 1.00 0.00 WT3 H ATOM 39349 OH2 TIP3 2630 87.160 94.914 54.693 1.00 0.00 WT3 O ATOM 39350 H1 TIP3 2630 86.340 94.449 54.857 1.00 0.00 WT3 H ATOM 39351 H2 TIP3 2630 87.840 94.322 55.017 1.00 0.00 WT3 H ATOM 39352 OH2 TIP3 2632 66.147 26.172 26.794 1.00 0.00 WT3 O ATOM 39353 H1 TIP3 2632 66.160 27.033 26.376 1.00 0.00 WT3 H ATOM 39354 H2 TIP3 2632 65.224 26.016 26.993 1.00 0.00 WT3 H ATOM 39355 OH2 TIP3 2633 51.532 28.986 1.168 1.00 0.00 WT3 O ATOM 39356 H1 TIP3 2633 51.323 28.156 1.595 1.00 0.00 WT3 H ATOM 39357 H2 TIP3 2633 51.879 29.536 1.870 1.00 0.00 WT3 H ATOM 39358 OH2 TIP3 2634 29.698 60.681 17.137 1.00 0.00 WT3 O ATOM 39359 H1 TIP3 2634 29.987 60.518 16.239 1.00 0.00 WT3 H ATOM 39360 H2 TIP3 2634 30.257 60.119 17.674 1.00 0.00 WT3 H ATOM 39361 OH2 TIP3 2638 83.045 29.287 -3.219 1.00 0.00 WT3 O ATOM 39362 H1 TIP3 2638 82.991 30.233 -3.088 1.00 0.00 WT3 H ATOM 39363 H2 TIP3 2638 82.253 29.066 -3.709 1.00 0.00 WT3 H ATOM 39364 OH2 TIP3 2644 77.577 57.841 -6.057 1.00 0.00 WT3 O ATOM 39365 H1 TIP3 2644 78.532 57.900 -6.020 1.00 0.00 WT3 H ATOM 39366 H2 TIP3 2644 77.381 57.713 -6.986 1.00 0.00 WT3 H ATOM 39367 OH2 TIP3 2646 72.706 16.423 -13.799 1.00 0.00 WT3 O ATOM 39368 H1 TIP3 2646 73.027 16.146 -12.940 1.00 0.00 WT3 H ATOM 39369 H2 TIP3 2646 72.278 17.263 -13.635 1.00 0.00 WT3 H ATOM 39370 OH2 TIP3 2649 58.395 59.519 -3.371 1.00 0.00 WT3 O ATOM 39371 H1 TIP3 2649 58.695 59.765 -2.496 1.00 0.00 WT3 H ATOM 39372 H2 TIP3 2649 57.444 59.617 -3.335 1.00 0.00 WT3 H ATOM 39373 OH2 TIP3 2650 73.234 18.524 50.723 1.00 0.00 WT3 O ATOM 39374 H1 TIP3 2650 72.880 18.070 49.959 1.00 0.00 WT3 H ATOM 39375 H2 TIP3 2650 73.420 19.410 50.412 1.00 0.00 WT3 H ATOM 39376 OH2 TIP3 2652 34.049 1.576 -10.931 1.00 0.00 WT3 O ATOM 39377 H1 TIP3 2652 34.105 2.531 -10.966 1.00 0.00 WT3 H ATOM 39378 H2 TIP3 2652 33.431 1.398 -10.221 1.00 0.00 WT3 H ATOM 39379 OH2 TIP3 2654 79.133 68.919 35.231 1.00 0.00 WT3 O ATOM 39380 H1 TIP3 2654 78.677 69.480 34.602 1.00 0.00 WT3 H ATOM 39381 H2 TIP3 2654 78.577 68.931 36.010 1.00 0.00 WT3 H ATOM 39382 OH2 TIP3 2656 43.466 39.406 25.866 1.00 0.00 WT3 O ATOM 39383 H1 TIP3 2656 43.882 40.077 25.325 1.00 0.00 WT3 H ATOM 39384 H2 TIP3 2656 43.818 38.579 25.536 1.00 0.00 WT3 H ATOM 39385 OH2 TIP3 2657 37.459 69.448 10.097 1.00 0.00 WT3 O ATOM 39386 H1 TIP3 2657 37.026 68.599 10.004 1.00 0.00 WT3 H ATOM 39387 H2 TIP3 2657 38.207 69.274 10.667 1.00 0.00 WT3 H ATOM 39388 OH2 TIP3 2659 88.510 68.631 57.952 1.00 0.00 WT3 O ATOM 39389 H1 TIP3 2659 88.088 67.812 58.214 1.00 0.00 WT3 H ATOM 39390 H2 TIP3 2659 88.894 68.971 58.760 1.00 0.00 WT3 H ATOM 39391 OH2 TIP3 2661 89.606 25.552 65.166 1.00 0.00 WT3 O ATOM 39392 H1 TIP3 2661 89.304 26.370 65.561 1.00 0.00 WT3 H ATOM 39393 H2 TIP3 2661 88.897 24.930 65.328 1.00 0.00 WT3 H ATOM 39394 OH2 TIP3 2665 31.114 -0.106 26.003 1.00 0.00 WT3 O ATOM 39395 H1 TIP3 2665 30.271 0.243 26.293 1.00 0.00 WT3 H ATOM 39396 H2 TIP3 2665 31.670 -0.067 26.780 1.00 0.00 WT3 H ATOM 39397 OH2 TIP3 2667 43.957 80.299 13.297 1.00 0.00 WT3 O ATOM 39398 H1 TIP3 2667 43.469 79.503 13.085 1.00 0.00 WT3 H ATOM 39399 H2 TIP3 2667 43.887 80.840 12.510 1.00 0.00 WT3 H ATOM 39400 OH2 TIP3 2669 80.415 38.308 45.329 1.00 0.00 WT3 O ATOM 39401 H1 TIP3 2669 80.652 39.186 45.629 1.00 0.00 WT3 H ATOM 39402 H2 TIP3 2669 80.818 38.233 44.464 1.00 0.00 WT3 H ATOM 39403 OH2 TIP3 2670 76.622 14.583 52.122 1.00 0.00 WT3 O ATOM 39404 H1 TIP3 2670 76.130 14.266 52.880 1.00 0.00 WT3 H ATOM 39405 H2 TIP3 2670 76.098 15.308 51.782 1.00 0.00 WT3 H ATOM 39406 OH2 TIP3 2672 29.041 50.872 -0.122 1.00 0.00 WT3 O ATOM 39407 H1 TIP3 2672 28.389 50.938 -0.820 1.00 0.00 WT3 H ATOM 39408 H2 TIP3 2672 29.826 50.538 -0.556 1.00 0.00 WT3 H ATOM 39409 OH2 TIP3 2673 69.044 9.306 48.146 1.00 0.00 WT3 O ATOM 39410 H1 TIP3 2673 68.551 10.099 47.933 1.00 0.00 WT3 H ATOM 39411 H2 TIP3 2673 69.401 9.013 47.307 1.00 0.00 WT3 H ATOM 39412 OH2 TIP3 2675 39.854 38.936 27.222 1.00 0.00 WT3 O ATOM 39413 H1 TIP3 2675 40.138 39.352 26.408 1.00 0.00 WT3 H ATOM 39414 H2 TIP3 2675 40.653 38.861 27.744 1.00 0.00 WT3 H ATOM 39415 OH2 TIP3 2676 35.583 26.696 8.339 1.00 0.00 WT3 O ATOM 39416 H1 TIP3 2676 35.597 26.033 9.030 1.00 0.00 WT3 H ATOM 39417 H2 TIP3 2676 35.260 27.486 8.771 1.00 0.00 WT3 H ATOM 39418 OH2 TIP3 2677 87.515 10.223 -18.979 1.00 0.00 WT3 O ATOM 39419 H1 TIP3 2677 86.645 10.298 -18.588 1.00 0.00 WT3 H ATOM 39420 H2 TIP3 2677 87.784 11.127 -19.142 1.00 0.00 WT3 H ATOM 39421 OH2 TIP3 2678 30.564 22.428 6.074 1.00 0.00 WT3 O ATOM 39422 H1 TIP3 2678 31.394 22.746 5.719 1.00 0.00 WT3 H ATOM 39423 H2 TIP3 2678 30.717 22.356 7.016 1.00 0.00 WT3 H ATOM 39424 OH2 TIP3 2680 48.950 13.962 -6.602 1.00 0.00 WT3 O ATOM 39425 H1 TIP3 2680 48.218 14.569 -6.488 1.00 0.00 WT3 H ATOM 39426 H2 TIP3 2680 48.536 13.120 -6.791 1.00 0.00 WT3 H ATOM 39427 OH2 TIP3 2681 60.129 0.525 36.558 1.00 0.00 WT3 O ATOM 39428 H1 TIP3 2681 60.933 1.020 36.718 1.00 0.00 WT3 H ATOM 39429 H2 TIP3 2681 59.579 1.119 36.046 1.00 0.00 WT3 H ATOM 39430 OH2 TIP3 2682 86.102 61.209 33.225 1.00 0.00 WT3 O ATOM 39431 H1 TIP3 2682 85.427 61.631 33.756 1.00 0.00 WT3 H ATOM 39432 H2 TIP3 2682 86.321 61.857 32.555 1.00 0.00 WT3 H ATOM 39433 OH2 TIP3 2684 66.315 3.746 18.677 1.00 0.00 WT3 O ATOM 39434 H1 TIP3 2684 66.478 3.357 19.537 1.00 0.00 WT3 H ATOM 39435 H2 TIP3 2684 66.382 4.690 18.824 1.00 0.00 WT3 H ATOM 39436 OH2 TIP3 2685 55.928 13.379 39.232 1.00 0.00 WT3 O ATOM 39437 H1 TIP3 2685 55.780 12.726 39.916 1.00 0.00 WT3 H ATOM 39438 H2 TIP3 2685 55.064 13.756 39.069 1.00 0.00 WT3 H ATOM 39439 OH2 TIP3 2688 37.366 51.276 31.788 1.00 0.00 WT3 O ATOM 39440 H1 TIP3 2688 37.423 52.086 31.282 1.00 0.00 WT3 H ATOM 39441 H2 TIP3 2688 38.251 51.143 32.129 1.00 0.00 WT3 H ATOM 39442 OH2 TIP3 2689 50.265 50.761 49.713 1.00 0.00 WT3 O ATOM 39443 H1 TIP3 2689 50.369 51.302 48.930 1.00 0.00 WT3 H ATOM 39444 H2 TIP3 2689 49.823 51.332 50.342 1.00 0.00 WT3 H ATOM 39445 OH2 TIP3 2690 82.763 80.845 32.616 1.00 0.00 WT3 O ATOM 39446 H1 TIP3 2690 81.916 81.194 32.340 1.00 0.00 WT3 H ATOM 39447 H2 TIP3 2690 83.361 81.073 31.904 1.00 0.00 WT3 H ATOM 39448 OH2 TIP3 2691 73.602 33.780 36.982 1.00 0.00 WT3 O ATOM 39449 H1 TIP3 2691 73.383 34.332 37.733 1.00 0.00 WT3 H ATOM 39450 H2 TIP3 2691 74.175 34.324 36.443 1.00 0.00 WT3 H ATOM 39451 OH2 TIP3 2692 27.351 42.714 28.181 1.00 0.00 WT3 O ATOM 39452 H1 TIP3 2692 26.642 43.256 28.529 1.00 0.00 WT3 H ATOM 39453 H2 TIP3 2692 26.957 42.245 27.446 1.00 0.00 WT3 H ATOM 39454 OH2 TIP3 2693 68.533 67.386 59.889 1.00 0.00 WT3 O ATOM 39455 H1 TIP3 2693 69.181 67.903 60.368 1.00 0.00 WT3 H ATOM 39456 H2 TIP3 2693 69.043 66.909 59.234 1.00 0.00 WT3 H ATOM 39457 OH2 TIP3 2694 71.593 60.364 -11.107 1.00 0.00 WT3 O ATOM 39458 H1 TIP3 2694 71.302 60.985 -10.439 1.00 0.00 WT3 H ATOM 39459 H2 TIP3 2694 71.315 59.509 -10.778 1.00 0.00 WT3 H ATOM 39460 OH2 TIP3 2695 66.230 63.986 19.169 1.00 0.00 WT3 O ATOM 39461 H1 TIP3 2695 66.245 63.345 19.879 1.00 0.00 WT3 H ATOM 39462 H2 TIP3 2695 65.917 63.496 18.409 1.00 0.00 WT3 H ATOM 39463 OH2 TIP3 2697 77.684 68.685 -13.238 1.00 0.00 WT3 O ATOM 39464 H1 TIP3 2697 77.494 67.993 -13.871 1.00 0.00 WT3 H ATOM 39465 H2 TIP3 2697 76.868 68.796 -12.751 1.00 0.00 WT3 H ATOM 39466 OH2 TIP3 2698 66.490 23.292 46.997 1.00 0.00 WT3 O ATOM 39467 H1 TIP3 2698 66.198 24.199 47.090 1.00 0.00 WT3 H ATOM 39468 H2 TIP3 2698 67.421 23.361 46.782 1.00 0.00 WT3 H ATOM 39469 OH2 TIP3 2699 37.522 66.885 30.184 1.00 0.00 WT3 O ATOM 39470 H1 TIP3 2699 37.347 66.075 30.664 1.00 0.00 WT3 H ATOM 39471 H2 TIP3 2699 38.400 66.766 29.824 1.00 0.00 WT3 H ATOM 39472 OH2 TIP3 2701 86.814 65.406 -13.699 1.00 0.00 WT3 O ATOM 39473 H1 TIP3 2701 86.397 65.150 -12.877 1.00 0.00 WT3 H ATOM 39474 H2 TIP3 2701 86.754 66.361 -13.713 1.00 0.00 WT3 H ATOM 39475 OH2 TIP3 2702 86.881 75.333 54.285 1.00 0.00 WT3 O ATOM 39476 H1 TIP3 2702 86.787 76.116 54.828 1.00 0.00 WT3 H ATOM 39477 H2 TIP3 2702 87.703 74.937 54.574 1.00 0.00 WT3 H ATOM 39478 OH2 TIP3 2705 50.936 17.626 28.082 1.00 0.00 WT3 O ATOM 39479 H1 TIP3 2705 51.187 18.411 27.596 1.00 0.00 WT3 H ATOM 39480 H2 TIP3 2705 50.151 17.308 27.636 1.00 0.00 WT3 H ATOM 39481 OH2 TIP3 2706 48.866 67.242 12.122 1.00 0.00 WT3 O ATOM 39482 H1 TIP3 2706 49.430 67.889 12.545 1.00 0.00 WT3 H ATOM 39483 H2 TIP3 2706 48.725 66.572 12.791 1.00 0.00 WT3 H ATOM 39484 OH2 TIP3 2707 63.381 77.438 5.414 1.00 0.00 WT3 O ATOM 39485 H1 TIP3 2707 62.478 77.375 5.724 1.00 0.00 WT3 H ATOM 39486 H2 TIP3 2707 63.777 76.601 5.656 1.00 0.00 WT3 H ATOM 39487 OH2 TIP3 2709 54.681 56.639 0.948 1.00 0.00 WT3 O ATOM 39488 H1 TIP3 2709 54.066 56.182 1.522 1.00 0.00 WT3 H ATOM 39489 H2 TIP3 2709 54.628 57.555 1.221 1.00 0.00 WT3 H ATOM 39490 OH2 TIP3 2710 36.887 10.654 -7.313 1.00 0.00 WT3 O ATOM 39491 H1 TIP3 2710 37.844 10.651 -7.313 1.00 0.00 WT3 H ATOM 39492 H2 TIP3 2710 36.644 9.762 -7.066 1.00 0.00 WT3 H ATOM 39493 OH2 TIP3 2713 25.439 84.660 43.872 1.00 0.00 WT3 O ATOM 39494 H1 TIP3 2713 25.622 84.139 43.090 1.00 0.00 WT3 H ATOM 39495 H2 TIP3 2713 25.391 84.019 44.581 1.00 0.00 WT3 H ATOM 39496 OH2 TIP3 2714 80.807 50.688 -13.464 1.00 0.00 WT3 O ATOM 39497 H1 TIP3 2714 80.170 51.390 -13.594 1.00 0.00 WT3 H ATOM 39498 H2 TIP3 2714 80.315 49.884 -13.628 1.00 0.00 WT3 H ATOM 39499 OH2 TIP3 2715 25.686 39.122 47.815 1.00 0.00 WT3 O ATOM 39500 H1 TIP3 2715 26.162 39.874 47.462 1.00 0.00 WT3 H ATOM 39501 H2 TIP3 2715 24.782 39.256 47.532 1.00 0.00 WT3 H ATOM 39502 OH2 TIP3 2717 36.833 26.956 -19.199 1.00 0.00 WT3 O ATOM 39503 H1 TIP3 2717 37.278 27.529 -18.575 1.00 0.00 WT3 H ATOM 39504 H2 TIP3 2717 35.997 27.391 -19.371 1.00 0.00 WT3 H ATOM 39505 OH2 TIP3 2718 33.659 66.858 66.680 1.00 0.00 WT3 O ATOM 39506 H1 TIP3 2718 33.592 66.360 67.495 1.00 0.00 WT3 H ATOM 39507 H2 TIP3 2718 33.594 66.198 65.990 1.00 0.00 WT3 H ATOM 39508 OH2 TIP3 2719 69.108 76.854 17.088 1.00 0.00 WT3 O ATOM 39509 H1 TIP3 2719 68.262 77.122 16.729 1.00 0.00 WT3 H ATOM 39510 H2 TIP3 2719 69.749 77.385 16.614 1.00 0.00 WT3 H ATOM 39511 OH2 TIP3 2720 22.628 54.591 50.935 1.00 0.00 WT3 O ATOM 39512 H1 TIP3 2720 21.671 54.557 50.930 1.00 0.00 WT3 H ATOM 39513 H2 TIP3 2720 22.854 54.864 51.824 1.00 0.00 WT3 H ATOM 39514 OH2 TIP3 2723 55.767 36.996 12.479 1.00 0.00 WT3 O ATOM 39515 H1 TIP3 2723 54.996 37.562 12.515 1.00 0.00 WT3 H ATOM 39516 H2 TIP3 2723 55.595 36.315 13.129 1.00 0.00 WT3 H ATOM 39517 OH2 TIP3 2724 49.005 74.160 -5.079 1.00 0.00 WT3 O ATOM 39518 H1 TIP3 2724 49.356 74.134 -4.189 1.00 0.00 WT3 H ATOM 39519 H2 TIP3 2724 49.202 73.295 -5.440 1.00 0.00 WT3 H ATOM 39520 OH2 TIP3 2726 69.432 16.004 65.737 1.00 0.00 WT3 O ATOM 39521 H1 TIP3 2726 69.328 15.127 65.367 1.00 0.00 WT3 H ATOM 39522 H2 TIP3 2726 68.538 16.332 65.830 1.00 0.00 WT3 H ATOM 39523 OH2 TIP3 2727 28.484 88.779 59.782 1.00 0.00 WT3 O ATOM 39524 H1 TIP3 2727 27.903 88.867 59.027 1.00 0.00 WT3 H ATOM 39525 H2 TIP3 2727 28.302 87.904 60.124 1.00 0.00 WT3 H ATOM 39526 OH2 TIP3 2731 28.117 55.157 -12.445 1.00 0.00 WT3 O ATOM 39527 H1 TIP3 2731 27.943 54.217 -12.510 1.00 0.00 WT3 H ATOM 39528 H2 TIP3 2731 28.506 55.269 -11.578 1.00 0.00 WT3 H ATOM 39529 OH2 TIP3 2732 39.132 7.486 30.249 1.00 0.00 WT3 O ATOM 39530 H1 TIP3 2732 38.890 8.374 29.986 1.00 0.00 WT3 H ATOM 39531 H2 TIP3 2732 38.458 7.231 30.879 1.00 0.00 WT3 H ATOM 39532 OH2 TIP3 2734 62.451 92.705 49.732 1.00 0.00 WT3 O ATOM 39533 H1 TIP3 2734 62.920 92.327 50.476 1.00 0.00 WT3 H ATOM 39534 H2 TIP3 2734 62.011 93.475 50.091 1.00 0.00 WT3 H ATOM 39535 OH2 TIP3 2735 70.441 95.245 22.149 1.00 0.00 WT3 O ATOM 39536 H1 TIP3 2735 70.638 96.126 21.829 1.00 0.00 WT3 H ATOM 39537 H2 TIP3 2735 69.656 95.354 22.685 1.00 0.00 WT3 H ATOM 39538 OH2 TIP3 2736 53.541 81.014 47.786 1.00 0.00 WT3 O ATOM 39539 H1 TIP3 2736 54.432 80.745 47.562 1.00 0.00 WT3 H ATOM 39540 H2 TIP3 2736 53.079 81.034 46.947 1.00 0.00 WT3 H ATOM 39541 OH2 TIP3 2737 46.200 57.130 66.137 1.00 0.00 WT3 O ATOM 39542 H1 TIP3 2737 46.353 57.936 66.630 1.00 0.00 WT3 H ATOM 39543 H2 TIP3 2737 46.359 57.372 65.225 1.00 0.00 WT3 H ATOM 39544 OH2 TIP3 2738 67.427 69.983 10.775 1.00 0.00 WT3 O ATOM 39545 H1 TIP3 2738 67.286 69.038 10.729 1.00 0.00 WT3 H ATOM 39546 H2 TIP3 2738 67.050 70.322 9.963 1.00 0.00 WT3 H ATOM 39547 OH2 TIP3 2739 44.623 28.737 60.699 1.00 0.00 WT3 O ATOM 39548 H1 TIP3 2739 43.836 29.269 60.817 1.00 0.00 WT3 H ATOM 39549 H2 TIP3 2739 44.681 28.600 59.753 1.00 0.00 WT3 H ATOM 39550 OH2 TIP3 2740 52.751 71.326 -7.696 1.00 0.00 WT3 O ATOM 39551 H1 TIP3 2740 51.926 70.845 -7.764 1.00 0.00 WT3 H ATOM 39552 H2 TIP3 2740 52.746 71.918 -8.448 1.00 0.00 WT3 H ATOM 39553 OH2 TIP3 2741 84.921 89.412 57.107 1.00 0.00 WT3 O ATOM 39554 H1 TIP3 2741 85.857 89.342 56.916 1.00 0.00 WT3 H ATOM 39555 H2 TIP3 2741 84.862 89.303 58.056 1.00 0.00 WT3 H ATOM 39556 OH2 TIP3 2742 76.083 2.612 64.130 1.00 0.00 WT3 O ATOM 39557 H1 TIP3 2742 76.517 2.146 63.415 1.00 0.00 WT3 H ATOM 39558 H2 TIP3 2742 76.647 3.367 64.302 1.00 0.00 WT3 H ATOM 39559 OH2 TIP3 2743 26.497 34.334 -4.868 1.00 0.00 WT3 O ATOM 39560 H1 TIP3 2743 26.276 34.305 -5.799 1.00 0.00 WT3 H ATOM 39561 H2 TIP3 2743 27.062 35.101 -4.780 1.00 0.00 WT3 H ATOM 39562 OH2 TIP3 2746 22.372 73.174 26.521 1.00 0.00 WT3 O ATOM 39563 H1 TIP3 2746 21.720 72.514 26.284 1.00 0.00 WT3 H ATOM 39564 H2 TIP3 2746 23.177 72.676 26.663 1.00 0.00 WT3 H ATOM 39565 OH2 TIP3 2748 26.612 54.862 47.460 1.00 0.00 WT3 O ATOM 39566 H1 TIP3 2748 26.484 54.624 48.378 1.00 0.00 WT3 H ATOM 39567 H2 TIP3 2748 27.289 54.262 47.148 1.00 0.00 WT3 H ATOM 39568 OH2 TIP3 2752 45.839 69.448 54.558 1.00 0.00 WT3 O ATOM 39569 H1 TIP3 2752 46.646 69.013 54.282 1.00 0.00 WT3 H ATOM 39570 H2 TIP3 2752 45.152 69.034 54.035 1.00 0.00 WT3 H ATOM 39571 OH2 TIP3 2753 28.852 78.541 29.899 1.00 0.00 WT3 O ATOM 39572 H1 TIP3 2753 29.624 78.355 29.364 1.00 0.00 WT3 H ATOM 39573 H2 TIP3 2753 28.265 79.021 29.315 1.00 0.00 WT3 H ATOM 39574 OH2 TIP3 2754 21.285 21.411 60.237 1.00 0.00 WT3 O ATOM 39575 H1 TIP3 2754 20.947 22.097 60.812 1.00 0.00 WT3 H ATOM 39576 H2 TIP3 2754 22.038 21.054 60.707 1.00 0.00 WT3 H ATOM 39577 OH2 TIP3 2755 42.334 89.244 36.742 1.00 0.00 WT3 O ATOM 39578 H1 TIP3 2755 42.986 88.600 37.018 1.00 0.00 WT3 H ATOM 39579 H2 TIP3 2755 41.516 88.940 37.133 1.00 0.00 WT3 H ATOM 39580 OH2 TIP3 2756 48.371 50.172 -16.706 1.00 0.00 WT3 O ATOM 39581 H1 TIP3 2756 47.516 50.434 -17.047 1.00 0.00 WT3 H ATOM 39582 H2 TIP3 2756 48.170 49.652 -15.929 1.00 0.00 WT3 H ATOM 39583 OH2 TIP3 2757 43.055 85.340 20.230 1.00 0.00 WT3 O ATOM 39584 H1 TIP3 2757 43.527 84.737 19.656 1.00 0.00 WT3 H ATOM 39585 H2 TIP3 2757 43.234 86.207 19.866 1.00 0.00 WT3 H ATOM 39586 OH2 TIP3 2758 76.269 31.025 50.644 1.00 0.00 WT3 O ATOM 39587 H1 TIP3 2758 76.892 30.382 50.983 1.00 0.00 WT3 H ATOM 39588 H2 TIP3 2758 76.339 30.950 49.693 1.00 0.00 WT3 H ATOM 39589 OH2 TIP3 2760 52.633 88.083 -13.611 1.00 0.00 WT3 O ATOM 39590 H1 TIP3 2760 53.413 87.528 -13.640 1.00 0.00 WT3 H ATOM 39591 H2 TIP3 2760 52.054 87.650 -12.984 1.00 0.00 WT3 H ATOM 39592 OH2 TIP3 2762 37.306 24.299 19.565 1.00 0.00 WT3 O ATOM 39593 H1 TIP3 2762 37.667 23.504 19.171 1.00 0.00 WT3 H ATOM 39594 H2 TIP3 2762 38.038 24.678 20.052 1.00 0.00 WT3 H ATOM 39595 OH2 TIP3 2763 70.976 88.565 23.401 1.00 0.00 WT3 O ATOM 39596 H1 TIP3 2763 71.613 88.844 24.059 1.00 0.00 WT3 H ATOM 39597 H2 TIP3 2763 70.533 87.815 23.798 1.00 0.00 WT3 H ATOM 39598 OH2 TIP3 2764 83.941 41.315 58.074 1.00 0.00 WT3 O ATOM 39599 H1 TIP3 2764 83.028 41.276 57.789 1.00 0.00 WT3 H ATOM 39600 H2 TIP3 2764 83.908 41.121 59.011 1.00 0.00 WT3 H ATOM 39601 OH2 TIP3 2765 39.214 62.631 52.663 1.00 0.00 WT3 O ATOM 39602 H1 TIP3 2765 38.579 63.095 52.116 1.00 0.00 WT3 H ATOM 39603 H2 TIP3 2765 39.846 63.303 52.918 1.00 0.00 WT3 H ATOM 39604 OH2 TIP3 2766 57.008 69.340 65.644 1.00 0.00 WT3 O ATOM 39605 H1 TIP3 2766 57.210 70.167 66.081 1.00 0.00 WT3 H ATOM 39606 H2 TIP3 2766 56.052 69.322 65.595 1.00 0.00 WT3 H ATOM 39607 OH2 TIP3 2768 57.816 7.400 39.691 1.00 0.00 WT3 O ATOM 39608 H1 TIP3 2768 57.772 6.445 39.633 1.00 0.00 WT3 H ATOM 39609 H2 TIP3 2768 57.815 7.696 38.781 1.00 0.00 WT3 H ATOM 39610 OH2 TIP3 2769 58.579 86.762 22.035 1.00 0.00 WT3 O ATOM 39611 H1 TIP3 2769 59.061 87.351 21.454 1.00 0.00 WT3 H ATOM 39612 H2 TIP3 2769 58.428 87.277 22.827 1.00 0.00 WT3 H ATOM 39613 OH2 TIP3 2771 71.396 82.552 13.785 1.00 0.00 WT3 O ATOM 39614 H1 TIP3 2771 70.698 82.111 13.300 1.00 0.00 WT3 H ATOM 39615 H2 TIP3 2771 71.459 82.069 14.608 1.00 0.00 WT3 H ATOM 39616 OH2 TIP3 2772 21.156 87.214 15.497 1.00 0.00 WT3 O ATOM 39617 H1 TIP3 2772 20.500 87.050 16.174 1.00 0.00 WT3 H ATOM 39618 H2 TIP3 2772 21.607 86.377 15.392 1.00 0.00 WT3 H ATOM 39619 OH2 TIP3 2774 30.338 95.569 17.500 1.00 0.00 WT3 O ATOM 39620 H1 TIP3 2774 30.981 94.984 17.900 1.00 0.00 WT3 H ATOM 39621 H2 TIP3 2774 30.556 95.564 16.568 1.00 0.00 WT3 H ATOM 39622 OH2 TIP3 2775 72.746 65.779 3.682 1.00 0.00 WT3 O ATOM 39623 H1 TIP3 2775 72.283 65.634 2.856 1.00 0.00 WT3 H ATOM 39624 H2 TIP3 2775 72.742 66.729 3.796 1.00 0.00 WT3 H ATOM 39625 OH2 TIP3 2776 60.593 72.577 41.202 1.00 0.00 WT3 O ATOM 39626 H1 TIP3 2776 60.995 73.218 41.788 1.00 0.00 WT3 H ATOM 39627 H2 TIP3 2776 59.658 72.778 41.230 1.00 0.00 WT3 H ATOM 39628 OH2 TIP3 2777 38.928 93.069 45.575 1.00 0.00 WT3 O ATOM 39629 H1 TIP3 2777 39.717 93.161 45.041 1.00 0.00 WT3 H ATOM 39630 H2 TIP3 2777 39.124 92.345 46.170 1.00 0.00 WT3 H ATOM 39631 OH2 TIP3 2778 86.266 34.210 24.326 1.00 0.00 WT3 O ATOM 39632 H1 TIP3 2778 85.392 34.373 24.679 1.00 0.00 WT3 H ATOM 39633 H2 TIP3 2778 86.397 34.902 23.678 1.00 0.00 WT3 H ATOM 39634 OH2 TIP3 2779 37.318 66.382 -19.661 1.00 0.00 WT3 O ATOM 39635 H1 TIP3 2779 37.525 66.641 -20.559 1.00 0.00 WT3 H ATOM 39636 H2 TIP3 2779 38.167 66.178 -19.269 1.00 0.00 WT3 H ATOM 39637 OH2 TIP3 2780 31.257 1.816 4.710 1.00 0.00 WT3 O ATOM 39638 H1 TIP3 2780 31.847 2.553 4.552 1.00 0.00 WT3 H ATOM 39639 H2 TIP3 2780 31.812 1.041 4.624 1.00 0.00 WT3 H ATOM 39640 OH2 TIP3 2782 50.026 6.722 22.419 1.00 0.00 WT3 O ATOM 39641 H1 TIP3 2782 49.778 5.944 21.920 1.00 0.00 WT3 H ATOM 39642 H2 TIP3 2782 49.263 6.909 22.967 1.00 0.00 WT3 H ATOM 39643 OH2 TIP3 2783 80.534 63.933 10.995 1.00 0.00 WT3 O ATOM 39644 H1 TIP3 2783 81.007 63.840 10.168 1.00 0.00 WT3 H ATOM 39645 H2 TIP3 2783 80.378 63.034 11.285 1.00 0.00 WT3 H ATOM 39646 OH2 TIP3 2784 52.307 78.945 17.975 1.00 0.00 WT3 O ATOM 39647 H1 TIP3 2784 53.136 78.543 17.715 1.00 0.00 WT3 H ATOM 39648 H2 TIP3 2784 52.557 79.787 18.355 1.00 0.00 WT3 H ATOM 39649 OH2 TIP3 2785 67.745 56.301 66.320 1.00 0.00 WT3 O ATOM 39650 H1 TIP3 2785 68.082 56.727 65.532 1.00 0.00 WT3 H ATOM 39651 H2 TIP3 2785 66.798 56.426 66.275 1.00 0.00 WT3 H ATOM 39652 OH2 TIP3 2786 38.635 46.486 37.765 1.00 0.00 WT3 O ATOM 39653 H1 TIP3 2786 39.572 46.524 37.954 1.00 0.00 WT3 H ATOM 39654 H2 TIP3 2786 38.565 45.891 37.019 1.00 0.00 WT3 H ATOM 39655 OH2 TIP3 2791 80.318 91.780 27.915 1.00 0.00 WT3 O ATOM 39656 H1 TIP3 2791 80.277 92.411 28.633 1.00 0.00 WT3 H ATOM 39657 H2 TIP3 2791 81.248 91.571 27.832 1.00 0.00 WT3 H ATOM 39658 OH2 TIP3 2792 84.825 30.473 17.122 1.00 0.00 WT3 O ATOM 39659 H1 TIP3 2792 85.596 30.168 17.601 1.00 0.00 WT3 H ATOM 39660 H2 TIP3 2792 84.438 31.140 17.689 1.00 0.00 WT3 H ATOM 39661 OH2 TIP3 2794 34.729 87.528 15.733 1.00 0.00 WT3 O ATOM 39662 H1 TIP3 2794 34.401 87.794 16.592 1.00 0.00 WT3 H ATOM 39663 H2 TIP3 2794 34.496 86.602 15.663 1.00 0.00 WT3 H ATOM 39664 OH2 TIP3 2795 29.875 3.265 -11.988 1.00 0.00 WT3 O ATOM 39665 H1 TIP3 2795 30.750 3.086 -12.333 1.00 0.00 WT3 H ATOM 39666 H2 TIP3 2795 29.964 3.157 -11.041 1.00 0.00 WT3 H ATOM 39667 OH2 TIP3 2797 69.927 75.831 -3.648 1.00 0.00 WT3 O ATOM 39668 H1 TIP3 2797 70.241 75.790 -2.745 1.00 0.00 WT3 H ATOM 39669 H2 TIP3 2797 70.722 75.905 -4.176 1.00 0.00 WT3 H ATOM 39670 OH2 TIP3 2799 61.891 33.220 0.049 1.00 0.00 WT3 O ATOM 39671 H1 TIP3 2799 62.317 33.520 -0.755 1.00 0.00 WT3 H ATOM 39672 H2 TIP3 2799 62.494 33.473 0.748 1.00 0.00 WT3 H ATOM 39673 OH2 TIP3 2800 57.934 29.035 54.322 1.00 0.00 WT3 O ATOM 39674 H1 TIP3 2800 57.206 28.618 53.862 1.00 0.00 WT3 H ATOM 39675 H2 TIP3 2800 58.015 29.897 53.914 1.00 0.00 WT3 H ATOM 39676 OH2 TIP3 2801 41.420 8.786 3.475 1.00 0.00 WT3 O ATOM 39677 H1 TIP3 2801 41.975 9.563 3.548 1.00 0.00 WT3 H ATOM 39678 H2 TIP3 2801 40.799 8.866 4.199 1.00 0.00 WT3 H ATOM 39679 OH2 TIP3 2804 55.909 11.637 41.388 1.00 0.00 WT3 O ATOM 39680 H1 TIP3 2804 55.394 11.052 41.944 1.00 0.00 WT3 H ATOM 39681 H2 TIP3 2804 56.741 11.737 41.850 1.00 0.00 WT3 H ATOM 39682 OH2 TIP3 2805 62.689 73.071 55.540 1.00 0.00 WT3 O ATOM 39683 H1 TIP3 2805 62.667 72.206 55.129 1.00 0.00 WT3 H ATOM 39684 H2 TIP3 2805 63.259 73.591 54.974 1.00 0.00 WT3 H ATOM 39685 OH2 TIP3 2806 23.769 77.268 9.831 1.00 0.00 WT3 O ATOM 39686 H1 TIP3 2806 24.124 77.388 10.711 1.00 0.00 WT3 H ATOM 39687 H2 TIP3 2806 24.489 77.505 9.247 1.00 0.00 WT3 H ATOM 39688 OH2 TIP3 2808 52.862 35.183 -0.337 1.00 0.00 WT3 O ATOM 39689 H1 TIP3 2808 53.047 34.422 0.214 1.00 0.00 WT3 H ATOM 39690 H2 TIP3 2808 52.979 35.935 0.245 1.00 0.00 WT3 H ATOM 39691 OH2 TIP3 2809 23.498 83.195 12.223 1.00 0.00 WT3 O ATOM 39692 H1 TIP3 2809 22.542 83.188 12.176 1.00 0.00 WT3 H ATOM 39693 H2 TIP3 2809 23.707 82.608 12.950 1.00 0.00 WT3 H ATOM 39694 OH2 TIP3 2810 41.635 65.620 55.910 1.00 0.00 WT3 O ATOM 39695 H1 TIP3 2810 40.890 65.169 56.307 1.00 0.00 WT3 H ATOM 39696 H2 TIP3 2810 41.900 65.055 55.184 1.00 0.00 WT3 H ATOM 39697 OH2 TIP3 2811 27.235 73.543 16.473 1.00 0.00 WT3 O ATOM 39698 H1 TIP3 2811 27.933 72.893 16.564 1.00 0.00 WT3 H ATOM 39699 H2 TIP3 2811 27.146 73.922 17.347 1.00 0.00 WT3 H ATOM 39700 OH2 TIP3 2813 76.403 59.037 59.291 1.00 0.00 WT3 O ATOM 39701 H1 TIP3 2813 75.498 58.737 59.198 1.00 0.00 WT3 H ATOM 39702 H2 TIP3 2813 76.831 58.350 59.803 1.00 0.00 WT3 H ATOM 39703 OH2 TIP3 2815 49.688 53.296 57.977 1.00 0.00 WT3 O ATOM 39704 H1 TIP3 2815 49.334 53.102 57.109 1.00 0.00 WT3 H ATOM 39705 H2 TIP3 2815 50.085 54.162 57.887 1.00 0.00 WT3 H ATOM 39706 OH2 TIP3 2817 42.014 70.382 65.742 1.00 0.00 WT3 O ATOM 39707 H1 TIP3 2817 41.791 70.654 66.632 1.00 0.00 WT3 H ATOM 39708 H2 TIP3 2817 42.350 71.176 65.325 1.00 0.00 WT3 H ATOM 39709 OH2 TIP3 2818 21.258 65.693 46.907 1.00 0.00 WT3 O ATOM 39710 H1 TIP3 2818 21.027 65.237 46.098 1.00 0.00 WT3 H ATOM 39711 H2 TIP3 2818 21.870 65.104 47.348 1.00 0.00 WT3 H ATOM 39712 OH2 TIP3 2820 39.972 47.736 16.686 1.00 0.00 WT3 O ATOM 39713 H1 TIP3 2820 40.460 47.236 17.341 1.00 0.00 WT3 H ATOM 39714 H2 TIP3 2820 40.609 48.360 16.338 1.00 0.00 WT3 H ATOM 39715 OH2 TIP3 2821 26.757 66.415 14.479 1.00 0.00 WT3 O ATOM 39716 H1 TIP3 2821 27.256 66.560 15.283 1.00 0.00 WT3 H ATOM 39717 H2 TIP3 2821 26.805 67.249 14.012 1.00 0.00 WT3 H ATOM 39718 OH2 TIP3 2824 88.566 22.454 12.230 1.00 0.00 WT3 O ATOM 39719 H1 TIP3 2824 88.084 21.650 12.427 1.00 0.00 WT3 H ATOM 39720 H2 TIP3 2824 88.884 22.329 11.336 1.00 0.00 WT3 H ATOM 39721 OH2 TIP3 2825 71.073 84.216 -12.561 1.00 0.00 WT3 O ATOM 39722 H1 TIP3 2825 70.877 83.616 -11.841 1.00 0.00 WT3 H ATOM 39723 H2 TIP3 2825 70.746 83.769 -13.341 1.00 0.00 WT3 H ATOM 39724 OH2 TIP3 2826 81.579 80.156 46.944 1.00 0.00 WT3 O ATOM 39725 H1 TIP3 2826 82.152 80.520 46.270 1.00 0.00 WT3 H ATOM 39726 H2 TIP3 2826 81.077 80.906 47.263 1.00 0.00 WT3 H ATOM 39727 OH2 TIP3 2827 31.530 61.017 5.036 1.00 0.00 WT3 O ATOM 39728 H1 TIP3 2827 31.278 61.819 5.495 1.00 0.00 WT3 H ATOM 39729 H2 TIP3 2827 31.824 60.426 5.730 1.00 0.00 WT3 H ATOM 39730 OH2 TIP3 2829 23.105 52.871 37.556 1.00 0.00 WT3 O ATOM 39731 H1 TIP3 2829 23.255 52.178 36.914 1.00 0.00 WT3 H ATOM 39732 H2 TIP3 2829 22.177 53.086 37.465 1.00 0.00 WT3 H ATOM 39733 OH2 TIP3 2830 77.695 9.704 44.213 1.00 0.00 WT3 O ATOM 39734 H1 TIP3 2830 78.643 9.825 44.254 1.00 0.00 WT3 H ATOM 39735 H2 TIP3 2830 77.440 10.089 43.374 1.00 0.00 WT3 H ATOM 39736 OH2 TIP3 2831 76.997 88.061 -1.310 1.00 0.00 WT3 O ATOM 39737 H1 TIP3 2831 77.353 87.382 -0.737 1.00 0.00 WT3 H ATOM 39738 H2 TIP3 2831 77.004 88.855 -0.775 1.00 0.00 WT3 H ATOM 39739 OH2 TIP3 2832 30.964 41.779 17.628 1.00 0.00 WT3 O ATOM 39740 H1 TIP3 2832 31.603 42.479 17.760 1.00 0.00 WT3 H ATOM 39741 H2 TIP3 2832 30.707 41.519 18.513 1.00 0.00 WT3 H ATOM 39742 OH2 TIP3 2833 71.248 83.698 37.824 1.00 0.00 WT3 O ATOM 39743 H1 TIP3 2833 70.518 83.099 37.982 1.00 0.00 WT3 H ATOM 39744 H2 TIP3 2833 71.068 84.449 38.390 1.00 0.00 WT3 H ATOM 39745 OH2 TIP3 2834 24.165 62.300 6.201 1.00 0.00 WT3 O ATOM 39746 H1 TIP3 2834 23.899 62.989 6.810 1.00 0.00 WT3 H ATOM 39747 H2 TIP3 2834 24.157 62.722 5.342 1.00 0.00 WT3 H ATOM 39748 OH2 TIP3 2835 33.834 40.898 31.835 1.00 0.00 WT3 O ATOM 39749 H1 TIP3 2835 34.602 41.376 31.520 1.00 0.00 WT3 H ATOM 39750 H2 TIP3 2835 33.272 40.815 31.065 1.00 0.00 WT3 H ATOM 39751 OH2 TIP3 2836 71.517 92.162 48.245 1.00 0.00 WT3 O ATOM 39752 H1 TIP3 2836 71.558 91.213 48.363 1.00 0.00 WT3 H ATOM 39753 H2 TIP3 2836 70.776 92.299 47.654 1.00 0.00 WT3 H ATOM 39754 OH2 TIP3 2837 48.482 2.690 -7.930 1.00 0.00 WT3 O ATOM 39755 H1 TIP3 2837 48.757 1.785 -8.079 1.00 0.00 WT3 H ATOM 39756 H2 TIP3 2837 48.918 3.190 -8.619 1.00 0.00 WT3 H ATOM 39757 OH2 TIP3 2842 57.423 89.130 54.758 1.00 0.00 WT3 O ATOM 39758 H1 TIP3 2842 57.362 88.625 53.948 1.00 0.00 WT3 H ATOM 39759 H2 TIP3 2842 58.333 89.425 54.790 1.00 0.00 WT3 H ATOM 39760 OH2 TIP3 2843 66.092 95.334 50.639 1.00 0.00 WT3 O ATOM 39761 H1 TIP3 2843 66.780 94.763 50.983 1.00 0.00 WT3 H ATOM 39762 H2 TIP3 2843 65.335 95.160 51.198 1.00 0.00 WT3 H ATOM 39763 OH2 TIP3 2844 26.320 39.793 43.314 1.00 0.00 WT3 O ATOM 39764 H1 TIP3 2844 25.412 39.941 43.578 1.00 0.00 WT3 H ATOM 39765 H2 TIP3 2844 26.298 39.816 42.357 1.00 0.00 WT3 H ATOM 39766 OH2 TIP3 2845 54.996 31.305 -7.465 1.00 0.00 WT3 O ATOM 39767 H1 TIP3 2845 54.226 31.789 -7.764 1.00 0.00 WT3 H ATOM 39768 H2 TIP3 2845 55.585 31.977 -7.124 1.00 0.00 WT3 H ATOM 39769 OH2 TIP3 2846 22.982 75.315 28.063 1.00 0.00 WT3 O ATOM 39770 H1 TIP3 2846 22.659 74.564 27.566 1.00 0.00 WT3 H ATOM 39771 H2 TIP3 2846 22.832 75.079 28.979 1.00 0.00 WT3 H ATOM 39772 OH2 TIP3 2847 36.098 74.994 26.426 1.00 0.00 WT3 O ATOM 39773 H1 TIP3 2847 36.580 74.169 26.356 1.00 0.00 WT3 H ATOM 39774 H2 TIP3 2847 36.748 75.669 26.234 1.00 0.00 WT3 H ATOM 39775 OH2 TIP3 2849 66.960 26.168 21.258 1.00 0.00 WT3 O ATOM 39776 H1 TIP3 2849 67.281 27.069 21.244 1.00 0.00 WT3 H ATOM 39777 H2 TIP3 2849 67.329 25.769 20.469 1.00 0.00 WT3 H ATOM 39778 OH2 TIP3 2852 51.189 33.541 66.292 1.00 0.00 WT3 O ATOM 39779 H1 TIP3 2852 51.151 33.950 67.156 1.00 0.00 WT3 H ATOM 39780 H2 TIP3 2852 52.121 33.382 66.142 1.00 0.00 WT3 H ATOM 39781 OH2 TIP3 2855 87.882 9.649 64.920 1.00 0.00 WT3 O ATOM 39782 H1 TIP3 2855 87.911 10.224 64.155 1.00 0.00 WT3 H ATOM 39783 H2 TIP3 2855 88.776 9.318 65.004 1.00 0.00 WT3 H ATOM 39784 OH2 TIP3 2856 78.255 93.804 58.592 1.00 0.00 WT3 O ATOM 39785 H1 TIP3 2856 78.724 94.007 57.783 1.00 0.00 WT3 H ATOM 39786 H2 TIP3 2856 77.785 94.610 58.806 1.00 0.00 WT3 H ATOM 39787 OH2 TIP3 2857 60.505 11.017 63.521 1.00 0.00 WT3 O ATOM 39788 H1 TIP3 2857 60.099 11.313 62.706 1.00 0.00 WT3 H ATOM 39789 H2 TIP3 2857 61.249 11.606 63.646 1.00 0.00 WT3 H ATOM 39790 OH2 TIP3 2862 24.519 36.480 35.699 1.00 0.00 WT3 O ATOM 39791 H1 TIP3 2862 24.161 36.275 34.836 1.00 0.00 WT3 H ATOM 39792 H2 TIP3 2862 24.260 37.387 35.857 1.00 0.00 WT3 H ATOM 39793 OH2 TIP3 2865 82.214 80.529 -3.865 1.00 0.00 WT3 O ATOM 39794 H1 TIP3 2865 82.085 81.465 -4.019 1.00 0.00 WT3 H ATOM 39795 H2 TIP3 2865 82.400 80.463 -2.928 1.00 0.00 WT3 H ATOM 39796 OH2 TIP3 2866 70.017 84.888 58.216 1.00 0.00 WT3 O ATOM 39797 H1 TIP3 2866 70.020 83.931 58.228 1.00 0.00 WT3 H ATOM 39798 H2 TIP3 2866 69.091 85.126 58.241 1.00 0.00 WT3 H ATOM 39799 OH2 TIP3 2868 71.970 90.442 9.581 1.00 0.00 WT3 O ATOM 39800 H1 TIP3 2868 71.060 90.298 9.838 1.00 0.00 WT3 H ATOM 39801 H2 TIP3 2868 71.992 90.235 8.647 1.00 0.00 WT3 H ATOM 39802 OH2 TIP3 2872 55.210 76.908 27.394 1.00 0.00 WT3 O ATOM 39803 H1 TIP3 2872 55.128 77.096 26.459 1.00 0.00 WT3 H ATOM 39804 H2 TIP3 2872 55.504 75.997 27.430 1.00 0.00 WT3 H ATOM 39805 OH2 TIP3 2873 47.237 10.916 32.454 1.00 0.00 WT3 O ATOM 39806 H1 TIP3 2873 46.610 10.297 32.081 1.00 0.00 WT3 H ATOM 39807 H2 TIP3 2873 48.082 10.647 32.094 1.00 0.00 WT3 H ATOM 39808 OH2 TIP3 2874 81.369 88.953 -14.963 1.00 0.00 WT3 O ATOM 39809 H1 TIP3 2874 81.554 88.150 -14.478 1.00 0.00 WT3 H ATOM 39810 H2 TIP3 2874 82.129 89.069 -15.534 1.00 0.00 WT3 H ATOM 39811 OH2 TIP3 2875 53.299 94.972 59.617 1.00 0.00 WT3 O ATOM 39812 H1 TIP3 2875 53.467 95.696 59.014 1.00 0.00 WT3 H ATOM 39813 H2 TIP3 2875 53.953 94.312 59.388 1.00 0.00 WT3 H ATOM 39814 OH2 TIP3 2876 26.136 52.853 35.938 1.00 0.00 WT3 O ATOM 39815 H1 TIP3 2876 26.051 53.768 36.206 1.00 0.00 WT3 H ATOM 39816 H2 TIP3 2876 25.649 52.798 35.116 1.00 0.00 WT3 H ATOM 39817 OH2 TIP3 2877 57.047 76.683 -15.276 1.00 0.00 WT3 O ATOM 39818 H1 TIP3 2877 57.970 76.843 -15.080 1.00 0.00 WT3 H ATOM 39819 H2 TIP3 2877 56.833 75.888 -14.787 1.00 0.00 WT3 H ATOM 39820 OH2 TIP3 2878 22.501 52.187 60.767 1.00 0.00 WT3 O ATOM 39821 H1 TIP3 2878 23.160 51.709 60.263 1.00 0.00 WT3 H ATOM 39822 H2 TIP3 2878 22.570 51.828 61.652 1.00 0.00 WT3 H ATOM 39823 OH2 TIP3 2885 26.330 46.903 28.655 1.00 0.00 WT3 O ATOM 39824 H1 TIP3 2885 25.623 47.361 28.201 1.00 0.00 WT3 H ATOM 39825 H2 TIP3 2885 27.048 46.882 28.022 1.00 0.00 WT3 H ATOM 39826 OH2 TIP3 2889 67.554 27.750 -4.190 1.00 0.00 WT3 O ATOM 39827 H1 TIP3 2889 68.120 27.956 -4.934 1.00 0.00 WT3 H ATOM 39828 H2 TIP3 2889 68.000 28.135 -3.436 1.00 0.00 WT3 H ATOM 39829 OH2 TIP3 2895 39.025 75.272 -6.592 1.00 0.00 WT3 O ATOM 39830 H1 TIP3 2895 39.144 74.326 -6.517 1.00 0.00 WT3 H ATOM 39831 H2 TIP3 2895 39.753 75.646 -6.096 1.00 0.00 WT3 H ATOM 39832 OH2 TIP3 2907 84.891 53.474 48.564 1.00 0.00 WT3 O ATOM 39833 H1 TIP3 2907 84.956 52.640 48.099 1.00 0.00 WT3 H ATOM 39834 H2 TIP3 2907 84.805 53.229 49.485 1.00 0.00 WT3 H ATOM 39835 OH2 TIP3 2910 21.663 62.098 62.407 1.00 0.00 WT3 O ATOM 39836 H1 TIP3 2910 21.040 61.707 63.020 1.00 0.00 WT3 H ATOM 39837 H2 TIP3 2910 21.185 62.826 62.011 1.00 0.00 WT3 H ATOM 39838 OH2 TIP3 2913 23.000 69.269 34.048 1.00 0.00 WT3 O ATOM 39839 H1 TIP3 2913 22.073 69.316 34.283 1.00 0.00 WT3 H ATOM 39840 H2 TIP3 2913 23.073 68.477 33.516 1.00 0.00 WT3 H ATOM 39841 OH2 TIP3 2926 20.849 41.477 -9.537 1.00 0.00 WT3 O ATOM 39842 H1 TIP3 2926 21.019 42.335 -9.148 1.00 0.00 WT3 H ATOM 39843 H2 TIP3 2926 20.088 41.145 -9.060 1.00 0.00 WT3 H ATOM 39844 OH2 TIP3 2944 78.619 86.155 -3.693 1.00 0.00 WT3 O ATOM 39845 H1 TIP3 2944 78.756 85.619 -4.474 1.00 0.00 WT3 H ATOM 39846 H2 TIP3 2944 79.502 86.338 -3.370 1.00 0.00 WT3 H ATOM 39847 OH2 TIP3 2957 28.135 71.828 21.706 1.00 0.00 WT3 O ATOM 39848 H1 TIP3 2957 27.959 70.936 22.006 1.00 0.00 WT3 H ATOM 39849 H2 TIP3 2957 28.396 72.300 22.496 1.00 0.00 WT3 H ATOM 39850 OH2 TIP3 3010 20.228 39.888 53.164 1.00 0.00 WT3 O ATOM 39851 H1 TIP3 3010 20.165 40.834 53.295 1.00 0.00 WT3 H ATOM 39852 H2 TIP3 3010 20.353 39.531 54.043 1.00 0.00 WT3 H ATOM 39853 OH2 TIP3 3012 71.340 79.460 64.654 1.00 0.00 WT3 O ATOM 39854 H1 TIP3 3012 70.889 80.005 64.010 1.00 0.00 WT3 H ATOM 39855 H2 TIP3 3012 70.872 78.625 64.632 1.00 0.00 WT3 H ATOM 39856 OH2 TIP3 3016 48.892 81.447 9.124 1.00 0.00 WT3 O ATOM 39857 H1 TIP3 3016 48.761 80.605 8.688 1.00 0.00 WT3 H ATOM 39858 H2 TIP3 3016 48.567 81.309 10.013 1.00 0.00 WT3 H ATOM 39859 OH2 TIP3 3024 74.808 35.377 34.933 1.00 0.00 WT3 O ATOM 39860 H1 TIP3 3024 74.317 36.197 34.889 1.00 0.00 WT3 H ATOM 39861 H2 TIP3 3024 75.593 35.593 35.435 1.00 0.00 WT3 H ATOM 39862 OH2 TIP3 3027 49.963 20.741 -8.530 1.00 0.00 WT3 O ATOM 39863 H1 TIP3 3027 49.744 20.163 -7.799 1.00 0.00 WT3 H ATOM 39864 H2 TIP3 3027 49.343 20.502 -9.219 1.00 0.00 WT3 H ATOM 39865 OH2 TIP3 3030 46.480 91.129 -6.467 1.00 0.00 WT3 O ATOM 39866 H1 TIP3 3030 47.103 91.385 -7.148 1.00 0.00 WT3 H ATOM 39867 H2 TIP3 3030 46.423 90.177 -6.540 1.00 0.00 WT3 H ATOM 39868 OH2 TIP3 3037 76.129 70.467 30.771 1.00 0.00 WT3 O ATOM 39869 H1 TIP3 3037 75.375 70.970 31.078 1.00 0.00 WT3 H ATOM 39870 H2 TIP3 3037 75.926 69.562 31.008 1.00 0.00 WT3 H ATOM 39871 OH2 TIP3 3042 23.140 82.668 -19.611 1.00 0.00 WT3 O ATOM 39872 H1 TIP3 3042 23.540 83.054 -20.389 1.00 0.00 WT3 H ATOM 39873 H2 TIP3 3042 23.116 81.728 -19.793 1.00 0.00 WT3 H ATOM 39874 OH2 TIP3 3046 50.256 93.704 -12.972 1.00 0.00 WT3 O ATOM 39875 H1 TIP3 3046 50.501 93.981 -13.855 1.00 0.00 WT3 H ATOM 39876 H2 TIP3 3046 50.856 94.180 -12.397 1.00 0.00 WT3 H ATOM 39877 OH2 TIP3 3049 62.058 74.389 22.724 1.00 0.00 WT3 O ATOM 39878 H1 TIP3 3049 61.488 74.054 23.417 1.00 0.00 WT3 H ATOM 39879 H2 TIP3 3049 61.694 75.247 22.507 1.00 0.00 WT3 H ATOM 39880 OH2 TIP3 3050 63.737 47.824 55.713 1.00 0.00 WT3 O ATOM 39881 H1 TIP3 3050 63.772 48.011 56.651 1.00 0.00 WT3 H ATOM 39882 H2 TIP3 3050 62.898 48.186 55.427 1.00 0.00 WT3 H ATOM 39883 OH2 TIP3 3053 53.993 39.861 55.992 1.00 0.00 WT3 O ATOM 39884 H1 TIP3 3053 53.328 40.351 55.509 1.00 0.00 WT3 H ATOM 39885 H2 TIP3 3053 54.673 40.506 56.186 1.00 0.00 WT3 H ATOM 39886 OH2 TIP3 3057 48.005 74.589 -15.030 1.00 0.00 WT3 O ATOM 39887 H1 TIP3 3057 47.518 73.909 -15.496 1.00 0.00 WT3 H ATOM 39888 H2 TIP3 3057 47.808 75.395 -15.507 1.00 0.00 WT3 H ATOM 39889 OH2 TIP3 3059 57.877 1.295 11.479 1.00 0.00 WT3 O ATOM 39890 H1 TIP3 3059 58.320 1.878 10.863 1.00 0.00 WT3 H ATOM 39891 H2 TIP3 3059 58.581 0.776 11.868 1.00 0.00 WT3 H ATOM 39892 OH2 TIP3 3066 65.373 80.040 25.742 1.00 0.00 WT3 O ATOM 39893 H1 TIP3 3066 65.312 79.303 25.135 1.00 0.00 WT3 H ATOM 39894 H2 TIP3 3066 65.634 79.645 26.574 1.00 0.00 WT3 H ATOM 39895 OH2 TIP3 3070 82.639 93.884 57.885 1.00 0.00 WT3 O ATOM 39896 H1 TIP3 3070 83.435 93.734 58.395 1.00 0.00 WT3 H ATOM 39897 H2 TIP3 3070 82.925 93.825 56.973 1.00 0.00 WT3 H ATOM 39898 OH2 TIP3 3071 34.073 75.155 61.279 1.00 0.00 WT3 O ATOM 39899 H1 TIP3 3071 34.533 74.362 61.556 1.00 0.00 WT3 H ATOM 39900 H2 TIP3 3071 33.638 75.469 62.072 1.00 0.00 WT3 H ATOM 39901 OH2 TIP3 3072 58.238 29.503 -17.351 1.00 0.00 WT3 O ATOM 39902 H1 TIP3 3072 59.182 29.381 -17.448 1.00 0.00 WT3 H ATOM 39903 H2 TIP3 3072 58.026 29.083 -16.517 1.00 0.00 WT3 H ATOM 39904 OH2 TIP3 3073 64.187 69.011 50.164 1.00 0.00 WT3 O ATOM 39905 H1 TIP3 3073 64.248 68.229 50.713 1.00 0.00 WT3 H ATOM 39906 H2 TIP3 3073 64.866 68.891 49.500 1.00 0.00 WT3 H ATOM 39907 OH2 TIP3 3079 46.480 41.391 35.029 1.00 0.00 WT3 O ATOM 39908 H1 TIP3 3079 46.539 40.447 34.881 1.00 0.00 WT3 H ATOM 39909 H2 TIP3 3079 46.296 41.759 34.165 1.00 0.00 WT3 H ATOM 39910 OH2 TIP3 3080 64.702 58.970 64.458 1.00 0.00 WT3 O ATOM 39911 H1 TIP3 3080 64.762 58.157 63.957 1.00 0.00 WT3 H ATOM 39912 H2 TIP3 3080 63.773 59.197 64.437 1.00 0.00 WT3 H ATOM 39913 OH2 TIP3 3081 59.800 9.974 -19.991 1.00 0.00 WT3 O ATOM 39914 H1 TIP3 3081 59.285 10.655 -20.424 1.00 0.00 WT3 H ATOM 39915 H2 TIP3 3081 60.358 10.451 -19.376 1.00 0.00 WT3 H ATOM 39916 OH2 TIP3 3084 48.303 -0.030 9.881 1.00 0.00 WT3 O ATOM 39917 H1 TIP3 3084 48.114 0.909 9.882 1.00 0.00 WT3 H ATOM 39918 H2 TIP3 3084 47.828 -0.371 10.639 1.00 0.00 WT3 H ATOM 39919 OH2 TIP3 3085 28.436 76.707 62.528 1.00 0.00 WT3 O ATOM 39920 H1 TIP3 3085 29.075 76.155 62.076 1.00 0.00 WT3 H ATOM 39921 H2 TIP3 3085 28.254 76.244 63.346 1.00 0.00 WT3 H ATOM 39922 OH2 TIP3 3086 47.792 91.708 -14.556 1.00 0.00 WT3 O ATOM 39923 H1 TIP3 3086 47.545 91.938 -15.452 1.00 0.00 WT3 H ATOM 39924 H2 TIP3 3086 48.732 91.883 -14.513 1.00 0.00 WT3 H ATOM 39925 OH2 TIP3 3091 44.513 74.934 -17.878 1.00 0.00 WT3 O ATOM 39926 H1 TIP3 3091 43.592 74.934 -18.140 1.00 0.00 WT3 H ATOM 39927 H2 TIP3 3091 44.939 75.527 -18.497 1.00 0.00 WT3 H ATOM 39928 OH2 TIP3 3092 72.776 75.984 44.354 1.00 0.00 WT3 O ATOM 39929 H1 TIP3 3092 72.034 75.715 43.812 1.00 0.00 WT3 H ATOM 39930 H2 TIP3 3092 72.880 76.918 44.173 1.00 0.00 WT3 H ATOM 39931 OH2 TIP3 3095 76.906 18.897 60.133 1.00 0.00 WT3 O ATOM 39932 H1 TIP3 3095 76.420 19.426 60.766 1.00 0.00 WT3 H ATOM 39933 H2 TIP3 3095 77.336 19.537 59.566 1.00 0.00 WT3 H ATOM 39934 OH2 TIP3 3096 80.142 44.862 -3.849 1.00 0.00 WT3 O ATOM 39935 H1 TIP3 3096 79.437 45.178 -3.283 1.00 0.00 WT3 H ATOM 39936 H2 TIP3 3096 80.460 45.646 -4.296 1.00 0.00 WT3 H ATOM 39937 OH2 TIP3 3099 51.264 82.168 53.115 1.00 0.00 WT3 O ATOM 39938 H1 TIP3 3099 50.526 82.556 52.645 1.00 0.00 WT3 H ATOM 39939 H2 TIP3 3099 51.698 81.615 52.465 1.00 0.00 WT3 H ATOM 39940 OH2 TIP3 3101 79.706 64.269 -6.749 1.00 0.00 WT3 O ATOM 39941 H1 TIP3 3101 79.313 64.577 -5.932 1.00 0.00 WT3 H ATOM 39942 H2 TIP3 3101 79.005 64.345 -7.396 1.00 0.00 WT3 H ATOM 39943 OH2 TIP3 3103 83.197 61.901 45.659 1.00 0.00 WT3 O ATOM 39944 H1 TIP3 3103 83.551 61.012 45.704 1.00 0.00 WT3 H ATOM 39945 H2 TIP3 3103 83.831 62.384 45.129 1.00 0.00 WT3 H ATOM 39946 OH2 TIP3 3104 44.464 87.831 37.880 1.00 0.00 WT3 O ATOM 39947 H1 TIP3 3104 44.530 87.588 38.803 1.00 0.00 WT3 H ATOM 39948 H2 TIP3 3104 44.647 87.021 37.404 1.00 0.00 WT3 H ATOM 39949 OH2 TIP3 3105 55.078 6.839 53.603 1.00 0.00 WT3 O ATOM 39950 H1 TIP3 3105 54.962 6.187 52.912 1.00 0.00 WT3 H ATOM 39951 H2 TIP3 3105 55.804 6.505 54.129 1.00 0.00 WT3 H ATOM 39952 OH2 TIP3 3107 68.834 52.252 -0.643 1.00 0.00 WT3 O ATOM 39953 H1 TIP3 3107 68.991 51.996 0.267 1.00 0.00 WT3 H ATOM 39954 H2 TIP3 3107 67.920 52.533 -0.659 1.00 0.00 WT3 H ATOM 39955 OH2 TIP3 3108 77.953 38.502 -8.411 1.00 0.00 WT3 O ATOM 39956 H1 TIP3 3108 77.035 38.736 -8.280 1.00 0.00 WT3 H ATOM 39957 H2 TIP3 3108 78.436 39.078 -7.818 1.00 0.00 WT3 H ATOM 39958 OH2 TIP3 3109 89.042 7.010 -7.460 1.00 0.00 WT3 O ATOM 39959 H1 TIP3 3109 89.705 7.405 -8.026 1.00 0.00 WT3 H ATOM 39960 H2 TIP3 3109 88.924 6.126 -7.808 1.00 0.00 WT3 H ATOM 39961 OH2 TIP3 3111 73.055 81.375 -19.003 1.00 0.00 WT3 O ATOM 39962 H1 TIP3 3111 72.750 82.116 -18.479 1.00 0.00 WT3 H ATOM 39963 H2 TIP3 3111 73.372 81.770 -19.815 1.00 0.00 WT3 H ATOM 39964 OH2 TIP3 3112 28.823 52.404 -9.079 1.00 0.00 WT3 O ATOM 39965 H1 TIP3 3112 28.714 52.977 -8.321 1.00 0.00 WT3 H ATOM 39966 H2 TIP3 3112 28.296 52.812 -9.766 1.00 0.00 WT3 H ATOM 39967 OH2 TIP3 3113 28.580 65.873 -2.830 1.00 0.00 WT3 O ATOM 39968 H1 TIP3 3113 28.952 66.461 -3.488 1.00 0.00 WT3 H ATOM 39969 H2 TIP3 3113 27.662 66.136 -2.766 1.00 0.00 WT3 H ATOM 39970 OH2 TIP3 3114 62.486 86.797 21.233 1.00 0.00 WT3 O ATOM 39971 H1 TIP3 3114 62.221 87.654 21.568 1.00 0.00 WT3 H ATOM 39972 H2 TIP3 3114 62.299 86.191 21.950 1.00 0.00 WT3 H ATOM 39973 OH2 TIP3 3115 29.091 79.804 -17.308 1.00 0.00 WT3 O ATOM 39974 H1 TIP3 3115 29.350 80.668 -16.988 1.00 0.00 WT3 H ATOM 39975 H2 TIP3 3115 28.141 79.781 -17.195 1.00 0.00 WT3 H ATOM 39976 OH2 TIP3 3116 81.475 42.436 -17.948 1.00 0.00 WT3 O ATOM 39977 H1 TIP3 3116 81.757 42.605 -17.049 1.00 0.00 WT3 H ATOM 39978 H2 TIP3 3116 80.533 42.605 -17.940 1.00 0.00 WT3 H ATOM 39979 OH2 TIP3 3119 71.414 85.361 14.427 1.00 0.00 WT3 O ATOM 39980 H1 TIP3 3119 71.435 84.431 14.201 1.00 0.00 WT3 H ATOM 39981 H2 TIP3 3119 70.913 85.769 13.722 1.00 0.00 WT3 H ATOM 39982 OH2 TIP3 3121 78.673 6.529 -5.674 1.00 0.00 WT3 O ATOM 39983 H1 TIP3 3121 77.960 7.005 -6.099 1.00 0.00 WT3 H ATOM 39984 H2 TIP3 3121 79.224 7.212 -5.293 1.00 0.00 WT3 H ATOM 39985 OH2 TIP3 3124 52.231 17.372 9.641 1.00 0.00 WT3 O ATOM 39986 H1 TIP3 3124 51.379 16.992 9.425 1.00 0.00 WT3 H ATOM 39987 H2 TIP3 3124 52.244 17.404 10.597 1.00 0.00 WT3 H ATOM 39988 OH2 TIP3 3129 27.011 87.215 -16.983 1.00 0.00 WT3 O ATOM 39989 H1 TIP3 3129 27.143 88.102 -16.647 1.00 0.00 WT3 H ATOM 39990 H2 TIP3 3129 26.291 86.865 -16.459 1.00 0.00 WT3 H ATOM 39991 OH2 TIP3 3131 39.968 8.933 10.360 1.00 0.00 WT3 O ATOM 39992 H1 TIP3 3131 39.489 9.757 10.447 1.00 0.00 WT3 H ATOM 39993 H2 TIP3 3131 39.392 8.278 10.753 1.00 0.00 WT3 H ATOM 39994 OH2 TIP3 3133 34.008 77.468 -6.604 1.00 0.00 WT3 O ATOM 39995 H1 TIP3 3133 34.948 77.364 -6.454 1.00 0.00 WT3 H ATOM 39996 H2 TIP3 3133 33.825 76.920 -7.367 1.00 0.00 WT3 H ATOM 39997 OH2 TIP3 3134 31.637 0.112 58.179 1.00 0.00 WT3 O ATOM 39998 H1 TIP3 3134 30.787 0.493 58.400 1.00 0.00 WT3 H ATOM 39999 H2 TIP3 3134 31.551 -0.815 58.403 1.00 0.00 WT3 H ATOM 40000 OH2 TIP3 3136 31.490 85.738 42.956 1.00 0.00 WT3 O ATOM 40001 H1 TIP3 3136 30.753 85.660 42.350 1.00 0.00 WT3 H ATOM 40002 H2 TIP3 3136 32.258 85.511 42.430 1.00 0.00 WT3 H ATOM 40003 OH2 TIP3 3138 30.406 66.074 16.364 1.00 0.00 WT3 O ATOM 40004 H1 TIP3 3138 29.825 65.546 16.912 1.00 0.00 WT3 H ATOM 40005 H2 TIP3 3138 31.210 66.156 16.877 1.00 0.00 WT3 H ATOM 40006 OH2 TIP3 3139 90.013 15.559 -15.212 1.00 0.00 WT3 O ATOM 40007 H1 TIP3 3139 90.416 14.691 -15.210 1.00 0.00 WT3 H ATOM 40008 H2 TIP3 3139 89.133 15.417 -14.864 1.00 0.00 WT3 H ATOM 40009 OH2 TIP3 3140 30.040 56.411 61.957 1.00 0.00 WT3 O ATOM 40010 H1 TIP3 3140 29.833 55.722 62.588 1.00 0.00 WT3 H ATOM 40011 H2 TIP3 3140 29.552 56.168 61.169 1.00 0.00 WT3 H ATOM 40012 OH2 TIP3 3141 54.330 59.308 12.830 1.00 0.00 WT3 O ATOM 40013 H1 TIP3 3141 53.750 59.021 13.535 1.00 0.00 WT3 H ATOM 40014 H2 TIP3 3141 54.810 60.048 13.201 1.00 0.00 WT3 H ATOM 40015 OH2 TIP3 3143 73.413 76.472 0.857 1.00 0.00 WT3 O ATOM 40016 H1 TIP3 3143 73.041 77.335 0.677 1.00 0.00 WT3 H ATOM 40017 H2 TIP3 3143 73.129 76.271 1.749 1.00 0.00 WT3 H ATOM 40018 OH2 TIP3 3144 65.755 66.293 33.016 1.00 0.00 WT3 O ATOM 40019 H1 TIP3 3144 64.802 66.201 33.011 1.00 0.00 WT3 H ATOM 40020 H2 TIP3 3144 65.976 66.552 32.122 1.00 0.00 WT3 H ATOM 40021 OH2 TIP3 3150 62.988 51.307 6.798 1.00 0.00 WT3 O ATOM 40022 H1 TIP3 3150 62.216 51.542 7.314 1.00 0.00 WT3 H ATOM 40023 H2 TIP3 3150 63.720 51.395 7.407 1.00 0.00 WT3 H ATOM 40024 OH2 TIP3 3152 59.728 69.035 54.918 1.00 0.00 WT3 O ATOM 40025 H1 TIP3 3152 59.267 68.270 55.263 1.00 0.00 WT3 H ATOM 40026 H2 TIP3 3152 60.474 69.150 55.507 1.00 0.00 WT3 H ATOM 40027 OH2 TIP3 3154 70.696 93.604 6.673 1.00 0.00 WT3 O ATOM 40028 H1 TIP3 3154 69.914 93.794 6.154 1.00 0.00 WT3 H ATOM 40029 H2 TIP3 3154 70.654 92.661 6.833 1.00 0.00 WT3 H ATOM 40030 OH2 TIP3 3155 64.698 10.493 40.380 1.00 0.00 WT3 O ATOM 40031 H1 TIP3 3155 65.592 10.573 40.714 1.00 0.00 WT3 H ATOM 40032 H2 TIP3 3155 64.249 11.272 40.707 1.00 0.00 WT3 H ATOM 40033 OH2 TIP3 3156 26.327 70.462 -1.280 1.00 0.00 WT3 O ATOM 40034 H1 TIP3 3156 26.033 70.356 -0.375 1.00 0.00 WT3 H ATOM 40035 H2 TIP3 3156 27.127 70.983 -1.213 1.00 0.00 WT3 H ATOM 40036 OH2 TIP3 3157 23.690 31.289 -12.761 1.00 0.00 WT3 O ATOM 40037 H1 TIP3 3157 23.859 30.510 -13.291 1.00 0.00 WT3 H ATOM 40038 H2 TIP3 3157 24.330 31.240 -12.051 1.00 0.00 WT3 H ATOM 40039 OH2 TIP3 3158 39.959 48.419 1.695 1.00 0.00 WT3 O ATOM 40040 H1 TIP3 3158 39.121 48.295 1.250 1.00 0.00 WT3 H ATOM 40041 H2 TIP3 3158 39.760 49.013 2.419 1.00 0.00 WT3 H ATOM 40042 OH2 TIP3 3160 37.555 57.713 17.131 1.00 0.00 WT3 O ATOM 40043 H1 TIP3 3160 37.534 56.821 17.478 1.00 0.00 WT3 H ATOM 40044 H2 TIP3 3160 38.324 58.111 17.538 1.00 0.00 WT3 H ATOM 40045 OH2 TIP3 3161 81.974 44.526 16.736 1.00 0.00 WT3 O ATOM 40046 H1 TIP3 3161 81.362 44.237 16.059 1.00 0.00 WT3 H ATOM 40047 H2 TIP3 3161 81.418 44.745 17.484 1.00 0.00 WT3 H ATOM 40048 OH2 TIP3 3162 82.585 38.337 59.311 1.00 0.00 WT3 O ATOM 40049 H1 TIP3 3162 82.155 37.890 60.040 1.00 0.00 WT3 H ATOM 40050 H2 TIP3 3162 82.109 39.163 59.221 1.00 0.00 WT3 H ATOM 40051 OH2 TIP3 3164 43.356 7.306 -0.778 1.00 0.00 WT3 O ATOM 40052 H1 TIP3 3164 42.864 6.561 -0.433 1.00 0.00 WT3 H ATOM 40053 H2 TIP3 3164 43.070 8.050 -0.248 1.00 0.00 WT3 H ATOM 40054 OH2 TIP3 3167 62.214 31.274 47.756 1.00 0.00 WT3 O ATOM 40055 H1 TIP3 3167 61.851 30.981 46.921 1.00 0.00 WT3 H ATOM 40056 H2 TIP3 3167 61.875 32.163 47.866 1.00 0.00 WT3 H ATOM 40057 OH2 TIP3 3169 31.045 13.331 11.939 1.00 0.00 WT3 O ATOM 40058 H1 TIP3 3169 31.460 14.188 12.037 1.00 0.00 WT3 H ATOM 40059 H2 TIP3 3169 30.176 13.440 12.324 1.00 0.00 WT3 H ATOM 40060 OH2 TIP3 3173 62.827 2.246 -7.952 1.00 0.00 WT3 O ATOM 40061 H1 TIP3 3173 61.947 2.540 -8.187 1.00 0.00 WT3 H ATOM 40062 H2 TIP3 3173 62.964 1.456 -8.476 1.00 0.00 WT3 H ATOM 40063 OH2 TIP3 3174 69.959 73.670 20.996 1.00 0.00 WT3 O ATOM 40064 H1 TIP3 3174 69.497 72.856 21.196 1.00 0.00 WT3 H ATOM 40065 H2 TIP3 3174 69.311 74.358 21.148 1.00 0.00 WT3 H ATOM 40066 OH2 TIP3 3175 73.284 20.247 13.952 1.00 0.00 WT3 O ATOM 40067 H1 TIP3 3175 73.380 20.626 13.078 1.00 0.00 WT3 H ATOM 40068 H2 TIP3 3175 73.125 20.998 14.524 1.00 0.00 WT3 H ATOM 40069 OH2 TIP3 3176 22.437 29.647 2.831 1.00 0.00 WT3 O ATOM 40070 H1 TIP3 3176 22.650 29.009 3.512 1.00 0.00 WT3 H ATOM 40071 H2 TIP3 3176 22.318 30.472 3.302 1.00 0.00 WT3 H ATOM 40072 OH2 TIP3 3177 62.406 60.297 20.275 1.00 0.00 WT3 O ATOM 40073 H1 TIP3 3177 61.594 60.790 20.158 1.00 0.00 WT3 H ATOM 40074 H2 TIP3 3177 62.427 59.690 19.535 1.00 0.00 WT3 H ATOM 40075 OH2 TIP3 3178 42.207 55.852 1.674 1.00 0.00 WT3 O ATOM 40076 H1 TIP3 3178 41.832 56.459 2.311 1.00 0.00 WT3 H ATOM 40077 H2 TIP3 3178 42.371 55.052 2.173 1.00 0.00 WT3 H ATOM 40078 OH2 TIP3 3179 45.639 83.083 -11.740 1.00 0.00 WT3 O ATOM 40079 H1 TIP3 3179 44.753 82.819 -11.987 1.00 0.00 WT3 H ATOM 40080 H2 TIP3 3179 45.839 82.556 -10.966 1.00 0.00 WT3 H ATOM 40081 OH2 TIP3 3180 46.687 2.259 10.631 1.00 0.00 WT3 O ATOM 40082 H1 TIP3 3180 46.816 2.918 11.313 1.00 0.00 WT3 H ATOM 40083 H2 TIP3 3180 45.738 2.149 10.580 1.00 0.00 WT3 H ATOM 40084 OH2 TIP3 3181 26.821 74.002 50.493 1.00 0.00 WT3 O ATOM 40085 H1 TIP3 3181 25.909 74.176 50.258 1.00 0.00 WT3 H ATOM 40086 H2 TIP3 3181 27.213 73.652 49.692 1.00 0.00 WT3 H ATOM 40087 OH2 TIP3 3182 71.612 57.089 -11.652 1.00 0.00 WT3 O ATOM 40088 H1 TIP3 3182 71.602 57.603 -12.460 1.00 0.00 WT3 H ATOM 40089 H2 TIP3 3182 70.737 57.209 -11.282 1.00 0.00 WT3 H ATOM 40090 OH2 TIP3 3184 35.667 73.632 56.193 1.00 0.00 WT3 O ATOM 40091 H1 TIP3 3184 35.231 74.460 55.990 1.00 0.00 WT3 H ATOM 40092 H2 TIP3 3184 36.344 73.546 55.523 1.00 0.00 WT3 H ATOM 40093 OH2 TIP3 3185 59.819 81.084 8.168 1.00 0.00 WT3 O ATOM 40094 H1 TIP3 3185 59.048 80.524 8.255 1.00 0.00 WT3 H ATOM 40095 H2 TIP3 3185 59.640 81.830 8.740 1.00 0.00 WT3 H ATOM 40096 OH2 TIP3 3187 80.083 77.233 13.967 1.00 0.00 WT3 O ATOM 40097 H1 TIP3 3187 80.765 77.120 14.629 1.00 0.00 WT3 H ATOM 40098 H2 TIP3 3187 80.343 76.650 13.253 1.00 0.00 WT3 H ATOM 40099 OH2 TIP3 3188 64.238 75.115 6.517 1.00 0.00 WT3 O ATOM 40100 H1 TIP3 3188 64.736 74.354 6.815 1.00 0.00 WT3 H ATOM 40101 H2 TIP3 3188 63.889 75.502 7.320 1.00 0.00 WT3 H ATOM 40102 OH2 TIP3 3189 80.812 88.718 19.981 1.00 0.00 WT3 O ATOM 40103 H1 TIP3 3189 80.463 87.837 20.115 1.00 0.00 WT3 H ATOM 40104 H2 TIP3 3189 80.976 89.049 20.864 1.00 0.00 WT3 H ATOM 40105 OH2 TIP3 3192 52.056 19.310 64.035 1.00 0.00 WT3 O ATOM 40106 H1 TIP3 3192 51.913 20.251 63.927 1.00 0.00 WT3 H ATOM 40107 H2 TIP3 3192 51.857 18.938 63.176 1.00 0.00 WT3 H ATOM 40108 OH2 TIP3 3193 55.438 80.858 10.912 1.00 0.00 WT3 O ATOM 40109 H1 TIP3 3193 55.731 80.043 11.321 1.00 0.00 WT3 H ATOM 40110 H2 TIP3 3193 55.299 80.628 9.994 1.00 0.00 WT3 H ATOM 40111 OH2 TIP3 3194 27.933 26.275 17.067 1.00 0.00 WT3 O ATOM 40112 H1 TIP3 3194 27.352 26.971 17.374 1.00 0.00 WT3 H ATOM 40113 H2 TIP3 3194 27.349 25.642 16.650 1.00 0.00 WT3 H ATOM 40114 OH2 TIP3 3195 81.083 65.829 -1.008 1.00 0.00 WT3 O ATOM 40115 H1 TIP3 3195 81.103 65.039 -0.468 1.00 0.00 WT3 H ATOM 40116 H2 TIP3 3195 80.607 65.569 -1.797 1.00 0.00 WT3 H ATOM 40117 OH2 TIP3 3196 54.172 11.187 7.097 1.00 0.00 WT3 O ATOM 40118 H1 TIP3 3196 54.430 10.353 7.490 1.00 0.00 WT3 H ATOM 40119 H2 TIP3 3196 53.232 11.250 7.264 1.00 0.00 WT3 H ATOM 40120 OH2 TIP3 3198 86.448 61.645 36.281 1.00 0.00 WT3 O ATOM 40121 H1 TIP3 3198 86.735 62.499 35.957 1.00 0.00 WT3 H ATOM 40122 H2 TIP3 3198 87.238 61.104 36.265 1.00 0.00 WT3 H ATOM 40123 OH2 TIP3 3200 24.903 80.870 -2.165 1.00 0.00 WT3 O ATOM 40124 H1 TIP3 3200 25.676 80.306 -2.115 1.00 0.00 WT3 H ATOM 40125 H2 TIP3 3200 24.246 80.423 -1.632 1.00 0.00 WT3 H ATOM 40126 OH2 TIP3 3201 63.645 11.944 -14.483 1.00 0.00 WT3 O ATOM 40127 H1 TIP3 3201 63.199 12.767 -14.283 1.00 0.00 WT3 H ATOM 40128 H2 TIP3 3201 64.317 12.185 -15.121 1.00 0.00 WT3 H ATOM 40129 OH2 TIP3 3202 57.382 70.667 -7.397 1.00 0.00 WT3 O ATOM 40130 H1 TIP3 3202 57.570 70.449 -6.485 1.00 0.00 WT3 H ATOM 40131 H2 TIP3 3202 56.489 71.013 -7.383 1.00 0.00 WT3 H ATOM 40132 OH2 TIP3 3203 59.845 3.245 47.339 1.00 0.00 WT3 O ATOM 40133 H1 TIP3 3203 59.014 2.889 47.654 1.00 0.00 WT3 H ATOM 40134 H2 TIP3 3203 60.419 2.483 47.263 1.00 0.00 WT3 H ATOM 40135 OH2 TIP3 3204 66.203 43.987 5.337 1.00 0.00 WT3 O ATOM 40136 H1 TIP3 3204 65.411 44.037 5.872 1.00 0.00 WT3 H ATOM 40137 H2 TIP3 3204 65.904 43.638 4.497 1.00 0.00 WT3 H ATOM 40138 OH2 TIP3 3205 60.907 24.851 64.570 1.00 0.00 WT3 O ATOM 40139 H1 TIP3 3205 61.085 25.788 64.479 1.00 0.00 WT3 H ATOM 40140 H2 TIP3 3205 61.275 24.619 65.422 1.00 0.00 WT3 H ATOM 40141 OH2 TIP3 3206 44.685 40.477 5.751 1.00 0.00 WT3 O ATOM 40142 H1 TIP3 3206 44.291 41.347 5.808 1.00 0.00 WT3 H ATOM 40143 H2 TIP3 3206 45.395 40.493 6.393 1.00 0.00 WT3 H ATOM 40144 OH2 TIP3 3208 48.358 93.790 42.659 1.00 0.00 WT3 O ATOM 40145 H1 TIP3 3208 48.390 93.268 41.858 1.00 0.00 WT3 H ATOM 40146 H2 TIP3 3208 48.766 94.623 42.418 1.00 0.00 WT3 H ATOM 40147 OH2 TIP3 3209 84.334 77.277 35.074 1.00 0.00 WT3 O ATOM 40148 H1 TIP3 3209 84.103 77.527 34.179 1.00 0.00 WT3 H ATOM 40149 H2 TIP3 3209 85.243 76.984 35.014 1.00 0.00 WT3 H ATOM 40150 OH2 TIP3 3210 24.908 85.305 56.513 1.00 0.00 WT3 O ATOM 40151 H1 TIP3 3210 24.434 85.013 57.292 1.00 0.00 WT3 H ATOM 40152 H2 TIP3 3210 24.839 84.571 55.902 1.00 0.00 WT3 H ATOM 40153 OH2 TIP3 3211 65.987 22.062 63.884 1.00 0.00 WT3 O ATOM 40154 H1 TIP3 3211 66.180 22.216 62.959 1.00 0.00 WT3 H ATOM 40155 H2 TIP3 3211 66.486 21.276 64.106 1.00 0.00 WT3 H ATOM 40156 OH2 TIP3 3212 67.231 41.974 47.191 1.00 0.00 WT3 O ATOM 40157 H1 TIP3 3212 66.642 41.360 47.630 1.00 0.00 WT3 H ATOM 40158 H2 TIP3 3212 67.012 41.894 46.263 1.00 0.00 WT3 H ATOM 40159 OH2 TIP3 3213 19.877 61.512 55.943 1.00 0.00 WT3 O ATOM 40160 H1 TIP3 3213 20.609 61.289 55.367 1.00 0.00 WT3 H ATOM 40161 H2 TIP3 3213 20.158 62.310 56.390 1.00 0.00 WT3 H ATOM 40162 OH2 TIP3 3214 60.741 77.603 43.056 1.00 0.00 WT3 O ATOM 40163 H1 TIP3 3214 60.972 76.691 42.881 1.00 0.00 WT3 H ATOM 40164 H2 TIP3 3214 60.103 77.557 43.768 1.00 0.00 WT3 H ATOM 40165 OH2 TIP3 3215 39.536 17.160 -9.656 1.00 0.00 WT3 O ATOM 40166 H1 TIP3 3215 38.619 17.292 -9.418 1.00 0.00 WT3 H ATOM 40167 H2 TIP3 3215 40.021 17.336 -8.850 1.00 0.00 WT3 H ATOM 40168 OH2 TIP3 3216 86.362 60.965 22.032 1.00 0.00 WT3 O ATOM 40169 H1 TIP3 3216 87.315 61.000 22.115 1.00 0.00 WT3 H ATOM 40170 H2 TIP3 3216 86.037 61.417 22.811 1.00 0.00 WT3 H ATOM 40171 OH2 TIP3 3218 52.337 44.144 0.293 1.00 0.00 WT3 O ATOM 40172 H1 TIP3 3218 52.061 44.397 1.174 1.00 0.00 WT3 H ATOM 40173 H2 TIP3 3218 53.293 44.117 0.339 1.00 0.00 WT3 H ATOM 40174 OH2 TIP3 3219 71.973 73.142 19.082 1.00 0.00 WT3 O ATOM 40175 H1 TIP3 3219 72.050 72.204 19.252 1.00 0.00 WT3 H ATOM 40176 H2 TIP3 3219 71.289 73.440 19.682 1.00 0.00 WT3 H ATOM 40177 OH2 TIP3 3221 25.384 91.937 -8.413 1.00 0.00 WT3 O ATOM 40178 H1 TIP3 3221 25.722 91.109 -8.755 1.00 0.00 WT3 H ATOM 40179 H2 TIP3 3221 25.995 92.598 -8.737 1.00 0.00 WT3 H ATOM 40180 OH2 TIP3 3222 52.281 81.809 63.800 1.00 0.00 WT3 O ATOM 40181 H1 TIP3 3222 51.990 81.446 64.636 1.00 0.00 WT3 H ATOM 40182 H2 TIP3 3222 53.156 81.443 63.671 1.00 0.00 WT3 H ATOM 40183 OH2 TIP3 3223 42.392 47.796 9.398 1.00 0.00 WT3 O ATOM 40184 H1 TIP3 3223 43.109 47.902 8.774 1.00 0.00 WT3 H ATOM 40185 H2 TIP3 3223 42.721 48.181 10.210 1.00 0.00 WT3 H ATOM 40186 OH2 TIP3 3224 20.044 7.949 -9.430 1.00 0.00 WT3 O ATOM 40187 H1 TIP3 3224 19.586 8.580 -9.985 1.00 0.00 WT3 H ATOM 40188 H2 TIP3 3224 20.960 8.013 -9.699 1.00 0.00 WT3 H ATOM 40189 OH2 TIP3 3225 56.513 45.107 61.969 1.00 0.00 WT3 O ATOM 40190 H1 TIP3 3225 56.671 45.098 62.914 1.00 0.00 WT3 H ATOM 40191 H2 TIP3 3225 56.766 45.988 61.693 1.00 0.00 WT3 H ATOM 40192 OH2 TIP3 3227 52.608 63.529 -5.925 1.00 0.00 WT3 O ATOM 40193 H1 TIP3 3227 52.997 64.296 -5.503 1.00 0.00 WT3 H ATOM 40194 H2 TIP3 3227 51.758 63.425 -5.496 1.00 0.00 WT3 H ATOM 40195 OH2 TIP3 3228 80.271 70.435 18.434 1.00 0.00 WT3 O ATOM 40196 H1 TIP3 3228 79.871 70.678 17.599 1.00 0.00 WT3 H ATOM 40197 H2 TIP3 3228 79.825 69.627 18.687 1.00 0.00 WT3 H ATOM 40198 OH2 TIP3 3229 52.780 29.551 38.853 1.00 0.00 WT3 O ATOM 40199 H1 TIP3 3229 52.583 29.382 37.932 1.00 0.00 WT3 H ATOM 40200 H2 TIP3 3229 53.196 28.746 39.161 1.00 0.00 WT3 H ATOM 40201 OH2 TIP3 3230 59.500 53.584 22.840 1.00 0.00 WT3 O ATOM 40202 H1 TIP3 3230 58.613 53.314 23.076 1.00 0.00 WT3 H ATOM 40203 H2 TIP3 3230 59.381 54.394 22.344 1.00 0.00 WT3 H ATOM 40204 OH2 TIP3 3231 51.823 71.955 53.718 1.00 0.00 WT3 O ATOM 40205 H1 TIP3 3231 51.535 72.867 53.753 1.00 0.00 WT3 H ATOM 40206 H2 TIP3 3231 52.649 71.983 53.235 1.00 0.00 WT3 H ATOM 40207 OH2 TIP3 3232 67.513 58.114 58.160 1.00 0.00 WT3 O ATOM 40208 H1 TIP3 3232 66.615 57.848 58.359 1.00 0.00 WT3 H ATOM 40209 H2 TIP3 3232 67.625 57.902 57.233 1.00 0.00 WT3 H ATOM 40210 OH2 TIP3 3233 48.516 91.979 -8.220 1.00 0.00 WT3 O ATOM 40211 H1 TIP3 3233 48.679 91.746 -9.134 1.00 0.00 WT3 H ATOM 40212 H2 TIP3 3233 49.150 92.670 -8.031 1.00 0.00 WT3 H ATOM 40213 OH2 TIP3 3234 29.777 5.282 46.809 1.00 0.00 WT3 O ATOM 40214 H1 TIP3 3234 30.619 4.846 46.678 1.00 0.00 WT3 H ATOM 40215 H2 TIP3 3234 29.717 5.910 46.088 1.00 0.00 WT3 H ATOM 40216 OH2 TIP3 3235 40.766 91.257 30.073 1.00 0.00 WT3 O ATOM 40217 H1 TIP3 3235 40.259 90.446 30.111 1.00 0.00 WT3 H ATOM 40218 H2 TIP3 3235 41.507 91.051 29.504 1.00 0.00 WT3 H ATOM 40219 OH2 TIP3 3236 71.020 65.476 35.050 1.00 0.00 WT3 O ATOM 40220 H1 TIP3 3236 70.368 65.196 35.693 1.00 0.00 WT3 H ATOM 40221 H2 TIP3 3236 70.748 65.055 34.234 1.00 0.00 WT3 H ATOM 40222 OH2 TIP3 3237 60.090 3.381 30.325 1.00 0.00 WT3 O ATOM 40223 H1 TIP3 3237 60.894 2.861 30.336 1.00 0.00 WT3 H ATOM 40224 H2 TIP3 3237 59.472 2.857 29.815 1.00 0.00 WT3 H ATOM 40225 OH2 TIP3 3238 72.817 79.362 43.863 1.00 0.00 WT3 O ATOM 40226 H1 TIP3 3238 72.046 79.420 44.426 1.00 0.00 WT3 H ATOM 40227 H2 TIP3 3238 73.538 79.673 44.410 1.00 0.00 WT3 H ATOM 40228 OH2 TIP3 3240 55.985 4.090 66.161 1.00 0.00 WT3 O ATOM 40229 H1 TIP3 3240 56.809 3.871 66.595 1.00 0.00 WT3 H ATOM 40230 H2 TIP3 3240 55.500 3.265 66.138 1.00 0.00 WT3 H ATOM 40231 OH2 TIP3 3242 47.506 17.774 5.525 1.00 0.00 WT3 O ATOM 40232 H1 TIP3 3242 46.957 18.259 6.142 1.00 0.00 WT3 H ATOM 40233 H2 TIP3 3242 47.340 16.854 5.729 1.00 0.00 WT3 H ATOM 40234 OH2 TIP3 3244 56.667 76.825 -17.772 1.00 0.00 WT3 O ATOM 40235 H1 TIP3 3244 55.922 76.269 -17.998 1.00 0.00 WT3 H ATOM 40236 H2 TIP3 3244 56.697 76.810 -16.816 1.00 0.00 WT3 H ATOM 40237 OH2 TIP3 3245 25.858 60.245 47.797 1.00 0.00 WT3 O ATOM 40238 H1 TIP3 3245 25.833 60.501 46.875 1.00 0.00 WT3 H ATOM 40239 H2 TIP3 3245 25.259 59.501 47.857 1.00 0.00 WT3 H ATOM 40240 OH2 TIP3 3246 37.144 83.267 23.298 1.00 0.00 WT3 O ATOM 40241 H1 TIP3 3246 37.669 83.180 22.503 1.00 0.00 WT3 H ATOM 40242 H2 TIP3 3246 36.482 83.922 23.078 1.00 0.00 WT3 H ATOM 40243 OH2 TIP3 3247 20.607 12.058 43.803 1.00 0.00 WT3 O ATOM 40244 H1 TIP3 3247 21.324 11.558 43.411 1.00 0.00 WT3 H ATOM 40245 H2 TIP3 3247 19.972 12.162 43.094 1.00 0.00 WT3 H ATOM 40246 OH2 TIP3 3248 39.625 94.494 15.440 1.00 0.00 WT3 O ATOM 40247 H1 TIP3 3248 39.965 94.928 16.223 1.00 0.00 WT3 H ATOM 40248 H2 TIP3 3248 39.974 93.604 15.489 1.00 0.00 WT3 H ATOM 40249 OH2 TIP3 3249 66.640 67.426 35.627 1.00 0.00 WT3 O ATOM 40250 H1 TIP3 3249 66.253 66.682 36.089 1.00 0.00 WT3 H ATOM 40251 H2 TIP3 3249 66.522 67.220 34.700 1.00 0.00 WT3 H ATOM 40252 OH2 TIP3 3250 35.630 4.655 50.055 1.00 0.00 WT3 O ATOM 40253 H1 TIP3 3250 34.745 4.659 49.691 1.00 0.00 WT3 H ATOM 40254 H2 TIP3 3250 35.569 4.092 50.827 1.00 0.00 WT3 H ATOM 40255 OH2 TIP3 3251 39.038 95.909 13.226 1.00 0.00 WT3 O ATOM 40256 H1 TIP3 3251 39.163 95.309 13.961 1.00 0.00 WT3 H ATOM 40257 H2 TIP3 3251 39.831 95.810 12.699 1.00 0.00 WT3 H ATOM 40258 OH2 TIP3 3252 65.161 1.308 61.880 1.00 0.00 WT3 O ATOM 40259 H1 TIP3 3252 65.820 0.677 61.592 1.00 0.00 WT3 H ATOM 40260 H2 TIP3 3252 64.710 0.871 62.603 1.00 0.00 WT3 H ATOM 40261 OH2 TIP3 3253 56.638 77.303 -1.044 1.00 0.00 WT3 O ATOM 40262 H1 TIP3 3253 56.260 76.551 -0.587 1.00 0.00 WT3 H ATOM 40263 H2 TIP3 3253 57.215 76.917 -1.703 1.00 0.00 WT3 H ATOM 40264 OH2 TIP3 3254 48.316 87.402 35.998 1.00 0.00 WT3 O ATOM 40265 H1 TIP3 3254 47.839 86.847 35.382 1.00 0.00 WT3 H ATOM 40266 H2 TIP3 3254 48.675 86.793 36.642 1.00 0.00 WT3 H ATOM 40267 OH2 TIP3 3255 37.571 62.041 48.363 1.00 0.00 WT3 O ATOM 40268 H1 TIP3 3255 38.417 62.462 48.516 1.00 0.00 WT3 H ATOM 40269 H2 TIP3 3255 37.463 62.058 47.412 1.00 0.00 WT3 H ATOM 40270 OH2 TIP3 3256 35.371 15.363 32.422 1.00 0.00 WT3 O ATOM 40271 H1 TIP3 3256 36.000 15.923 32.877 1.00 0.00 WT3 H ATOM 40272 H2 TIP3 3256 35.610 15.435 31.498 1.00 0.00 WT3 H ATOM 40273 OH2 TIP3 3257 49.417 34.748 -9.717 1.00 0.00 WT3 O ATOM 40274 H1 TIP3 3257 48.804 34.488 -9.030 1.00 0.00 WT3 H ATOM 40275 H2 TIP3 3257 49.177 34.208 -10.470 1.00 0.00 WT3 H ATOM 40276 OH2 TIP3 3258 88.475 70.604 43.511 1.00 0.00 WT3 O ATOM 40277 H1 TIP3 3258 87.643 70.248 43.197 1.00 0.00 WT3 H ATOM 40278 H2 TIP3 3258 89.020 70.668 42.727 1.00 0.00 WT3 H ATOM 40279 OH2 TIP3 3259 82.564 13.582 37.650 1.00 0.00 WT3 O ATOM 40280 H1 TIP3 3259 83.035 14.230 37.127 1.00 0.00 WT3 H ATOM 40281 H2 TIP3 3259 83.114 12.800 37.616 1.00 0.00 WT3 H ATOM 40282 OH2 TIP3 3261 40.906 71.308 24.273 1.00 0.00 WT3 O ATOM 40283 H1 TIP3 3261 41.752 71.310 23.825 1.00 0.00 WT3 H ATOM 40284 H2 TIP3 3261 40.664 70.384 24.326 1.00 0.00 WT3 H ATOM 40285 OH2 TIP3 3262 72.657 73.480 45.470 1.00 0.00 WT3 O ATOM 40286 H1 TIP3 3262 72.981 74.273 45.044 1.00 0.00 WT3 H ATOM 40287 H2 TIP3 3262 73.327 72.821 45.290 1.00 0.00 WT3 H ATOM 40288 OH2 TIP3 3263 43.655 6.401 -16.060 1.00 0.00 WT3 O ATOM 40289 H1 TIP3 3263 43.915 7.130 -15.497 1.00 0.00 WT3 H ATOM 40290 H2 TIP3 3263 42.704 6.352 -15.967 1.00 0.00 WT3 H ATOM 40291 OH2 TIP3 3266 30.975 1.705 12.330 1.00 0.00 WT3 O ATOM 40292 H1 TIP3 3266 30.059 1.441 12.410 1.00 0.00 WT3 H ATOM 40293 H2 TIP3 3266 31.306 1.203 11.585 1.00 0.00 WT3 H ATOM 40294 OH2 TIP3 3268 77.477 77.300 22.251 1.00 0.00 WT3 O ATOM 40295 H1 TIP3 3268 77.915 76.832 22.962 1.00 0.00 WT3 H ATOM 40296 H2 TIP3 3268 76.719 76.756 22.037 1.00 0.00 WT3 H ATOM 40297 OH2 TIP3 3269 53.104 58.178 10.762 1.00 0.00 WT3 O ATOM 40298 H1 TIP3 3269 53.496 58.332 11.621 1.00 0.00 WT3 H ATOM 40299 H2 TIP3 3269 53.811 57.801 10.239 1.00 0.00 WT3 H ATOM 40300 OH2 TIP3 3271 22.783 19.862 10.548 1.00 0.00 WT3 O ATOM 40301 H1 TIP3 3271 23.545 19.407 10.192 1.00 0.00 WT3 H ATOM 40302 H2 TIP3 3271 22.386 19.232 11.150 1.00 0.00 WT3 H ATOM 40303 OH2 TIP3 3272 26.915 85.759 -10.466 1.00 0.00 WT3 O ATOM 40304 H1 TIP3 3272 26.954 84.905 -10.036 1.00 0.00 WT3 H ATOM 40305 H2 TIP3 3272 26.254 85.652 -11.151 1.00 0.00 WT3 H ATOM 40306 OH2 TIP3 3273 41.493 2.134 16.869 1.00 0.00 WT3 O ATOM 40307 H1 TIP3 3273 40.889 2.044 17.606 1.00 0.00 WT3 H ATOM 40308 H2 TIP3 3273 41.778 1.240 16.681 1.00 0.00 WT3 H ATOM 40309 OH2 TIP3 3274 70.781 16.316 56.600 1.00 0.00 WT3 O ATOM 40310 H1 TIP3 3274 71.361 15.581 56.403 1.00 0.00 WT3 H ATOM 40311 H2 TIP3 3274 71.354 16.979 56.984 1.00 0.00 WT3 H ATOM 40312 OH2 TIP3 3280 90.052 77.152 -14.054 1.00 0.00 WT3 O ATOM 40313 H1 TIP3 3280 91.008 77.097 -14.079 1.00 0.00 WT3 H ATOM 40314 H2 TIP3 3280 89.788 76.464 -13.442 1.00 0.00 WT3 H ATOM 40315 OH2 TIP3 3282 88.940 59.605 3.261 1.00 0.00 WT3 O ATOM 40316 H1 TIP3 3282 88.196 59.466 3.847 1.00 0.00 WT3 H ATOM 40317 H2 TIP3 3282 88.682 59.184 2.441 1.00 0.00 WT3 H ATOM 40318 OH2 TIP3 3286 44.660 31.800 -9.498 1.00 0.00 WT3 O ATOM 40319 H1 TIP3 3286 43.712 31.814 -9.625 1.00 0.00 WT3 H ATOM 40320 H2 TIP3 3286 44.783 31.352 -8.660 1.00 0.00 WT3 H ATOM 40321 OH2 TIP3 3287 24.075 76.290 2.013 1.00 0.00 WT3 O ATOM 40322 H1 TIP3 3287 23.836 77.185 1.772 1.00 0.00 WT3 H ATOM 40323 H2 TIP3 3287 24.914 76.140 1.578 1.00 0.00 WT3 H ATOM 40324 OH2 TIP3 3291 65.156 82.086 3.879 1.00 0.00 WT3 O ATOM 40325 H1 TIP3 3291 64.792 81.310 4.305 1.00 0.00 WT3 H ATOM 40326 H2 TIP3 3291 64.483 82.758 3.991 1.00 0.00 WT3 H ATOM 40327 OH2 TIP3 3292 51.484 87.701 60.675 1.00 0.00 WT3 O ATOM 40328 H1 TIP3 3292 51.577 88.574 61.056 1.00 0.00 WT3 H ATOM 40329 H2 TIP3 3292 51.312 87.861 59.747 1.00 0.00 WT3 H ATOM 40330 OH2 TIP3 3293 81.427 13.639 2.387 1.00 0.00 WT3 O ATOM 40331 H1 TIP3 3293 81.017 14.240 3.009 1.00 0.00 WT3 H ATOM 40332 H2 TIP3 3293 81.948 13.048 2.931 1.00 0.00 WT3 H ATOM 40333 OH2 TIP3 3294 46.603 59.099 47.892 1.00 0.00 WT3 O ATOM 40334 H1 TIP3 3294 45.719 59.031 47.533 1.00 0.00 WT3 H ATOM 40335 H2 TIP3 3294 47.023 59.782 47.369 1.00 0.00 WT3 H ATOM 40336 OH2 TIP3 3295 89.039 77.675 57.143 1.00 0.00 WT3 O ATOM 40337 H1 TIP3 3295 88.195 77.618 56.695 1.00 0.00 WT3 H ATOM 40338 H2 TIP3 3295 89.572 76.989 56.741 1.00 0.00 WT3 H ATOM 40339 OH2 TIP3 3296 26.840 4.415 60.126 1.00 0.00 WT3 O ATOM 40340 H1 TIP3 3296 26.149 4.989 59.795 1.00 0.00 WT3 H ATOM 40341 H2 TIP3 3296 27.561 4.526 59.507 1.00 0.00 WT3 H ATOM 40342 OH2 TIP3 3300 60.344 16.929 -13.397 1.00 0.00 WT3 O ATOM 40343 H1 TIP3 3300 60.558 17.189 -12.501 1.00 0.00 WT3 H ATOM 40344 H2 TIP3 3300 61.191 16.871 -13.839 1.00 0.00 WT3 H ATOM 40345 OH2 TIP3 3301 42.006 82.692 33.265 1.00 0.00 WT3 O ATOM 40346 H1 TIP3 3301 41.156 82.908 32.882 1.00 0.00 WT3 H ATOM 40347 H2 TIP3 3301 42.568 82.505 32.514 1.00 0.00 WT3 H ATOM 40348 OH2 TIP3 3302 80.085 10.599 43.349 1.00 0.00 WT3 O ATOM 40349 H1 TIP3 3302 80.609 11.260 43.802 1.00 0.00 WT3 H ATOM 40350 H2 TIP3 3302 79.347 11.087 42.984 1.00 0.00 WT3 H ATOM 40351 OH2 TIP3 3303 81.832 59.178 34.812 1.00 0.00 WT3 O ATOM 40352 H1 TIP3 3303 82.613 59.410 35.315 1.00 0.00 WT3 H ATOM 40353 H2 TIP3 3303 82.114 59.221 33.898 1.00 0.00 WT3 H ATOM 40354 OH2 TIP3 3304 84.064 39.519 9.519 1.00 0.00 WT3 O ATOM 40355 H1 TIP3 3304 83.190 39.621 9.142 1.00 0.00 WT3 H ATOM 40356 H2 TIP3 3304 84.225 38.575 9.501 1.00 0.00 WT3 H ATOM 40357 OH2 TIP3 3305 50.828 12.971 -4.396 1.00 0.00 WT3 O ATOM 40358 H1 TIP3 3305 50.675 13.246 -5.300 1.00 0.00 WT3 H ATOM 40359 H2 TIP3 3305 50.619 13.743 -3.872 1.00 0.00 WT3 H ATOM 40360 OH2 TIP3 3306 74.231 88.187 -13.893 1.00 0.00 WT3 O ATOM 40361 H1 TIP3 3306 74.054 87.336 -13.492 1.00 0.00 WT3 H ATOM 40362 H2 TIP3 3306 74.911 88.009 -14.543 1.00 0.00 WT3 H ATOM 40363 OH2 TIP3 3307 40.957 95.230 48.397 1.00 0.00 WT3 O ATOM 40364 H1 TIP3 3307 40.221 95.665 47.966 1.00 0.00 WT3 H ATOM 40365 H2 TIP3 3307 40.645 95.052 49.284 1.00 0.00 WT3 H ATOM 40366 OH2 TIP3 3309 86.650 6.396 -11.617 1.00 0.00 WT3 O ATOM 40367 H1 TIP3 3309 86.624 6.469 -10.663 1.00 0.00 WT3 H ATOM 40368 H2 TIP3 3309 86.513 5.465 -11.791 1.00 0.00 WT3 H ATOM 40369 OH2 TIP3 3310 30.185 82.367 7.929 1.00 0.00 WT3 O ATOM 40370 H1 TIP3 3310 29.513 82.983 7.635 1.00 0.00 WT3 H ATOM 40371 H2 TIP3 3310 30.289 81.758 7.197 1.00 0.00 WT3 H ATOM 40372 OH2 TIP3 3312 33.992 69.096 -18.430 1.00 0.00 WT3 O ATOM 40373 H1 TIP3 3312 33.806 68.542 -19.188 1.00 0.00 WT3 H ATOM 40374 H2 TIP3 3312 33.547 68.663 -17.702 1.00 0.00 WT3 H ATOM 40375 OH2 TIP3 3313 46.312 69.914 29.653 1.00 0.00 WT3 O ATOM 40376 H1 TIP3 3313 47.026 69.387 30.012 1.00 0.00 WT3 H ATOM 40377 H2 TIP3 3313 46.435 69.870 28.705 1.00 0.00 WT3 H ATOM 40378 OH2 TIP3 3316 62.357 8.779 9.551 1.00 0.00 WT3 O ATOM 40379 H1 TIP3 3316 62.456 9.173 8.684 1.00 0.00 WT3 H ATOM 40380 H2 TIP3 3316 61.915 7.946 9.387 1.00 0.00 WT3 H ATOM 40381 OH2 TIP3 3317 44.027 13.422 12.353 1.00 0.00 WT3 O ATOM 40382 H1 TIP3 3317 43.997 13.899 13.182 1.00 0.00 WT3 H ATOM 40383 H2 TIP3 3317 43.570 12.600 12.532 1.00 0.00 WT3 H ATOM 40384 OH2 TIP3 3324 63.671 72.702 52.292 1.00 0.00 WT3 O ATOM 40385 H1 TIP3 3324 64.483 73.170 52.488 1.00 0.00 WT3 H ATOM 40386 H2 TIP3 3324 63.288 72.517 53.150 1.00 0.00 WT3 H ATOM 40387 OH2 TIP3 3331 40.653 78.631 55.734 1.00 0.00 WT3 O ATOM 40388 H1 TIP3 3331 40.336 78.083 55.016 1.00 0.00 WT3 H ATOM 40389 H2 TIP3 3331 40.053 79.376 55.750 1.00 0.00 WT3 H ATOM 40390 OH2 TIP3 3334 38.271 89.772 -18.694 1.00 0.00 WT3 O ATOM 40391 H1 TIP3 3334 38.628 88.960 -18.333 1.00 0.00 WT3 H ATOM 40392 H2 TIP3 3334 38.062 89.559 -19.603 1.00 0.00 WT3 H ATOM 40393 OH2 TIP3 3335 54.383 67.947 58.796 1.00 0.00 WT3 O ATOM 40394 H1 TIP3 3335 55.015 67.786 58.096 1.00 0.00 WT3 H ATOM 40395 H2 TIP3 3335 53.592 68.240 58.343 1.00 0.00 WT3 H ATOM 40396 OH2 TIP3 3338 79.763 71.049 11.585 1.00 0.00 WT3 O ATOM 40397 H1 TIP3 3338 79.753 70.843 10.650 1.00 0.00 WT3 H ATOM 40398 H2 TIP3 3338 78.872 70.861 11.882 1.00 0.00 WT3 H ATOM 40399 OH2 TIP3 3347 41.089 82.953 29.696 1.00 0.00 WT3 O ATOM 40400 H1 TIP3 3347 41.655 82.480 30.306 1.00 0.00 WT3 H ATOM 40401 H2 TIP3 3347 40.763 82.278 29.099 1.00 0.00 WT3 H ATOM 40402 OH2 TIP3 3348 72.301 22.467 15.057 1.00 0.00 WT3 O ATOM 40403 H1 TIP3 3348 72.526 23.057 15.776 1.00 0.00 WT3 H ATOM 40404 H2 TIP3 3348 71.347 22.398 15.093 1.00 0.00 WT3 H ATOM 40405 OH2 TIP3 3350 30.398 79.723 57.047 1.00 0.00 WT3 O ATOM 40406 H1 TIP3 3350 30.294 78.880 56.605 1.00 0.00 WT3 H ATOM 40407 H2 TIP3 3350 30.735 79.500 57.914 1.00 0.00 WT3 H ATOM 40408 OH2 TIP3 3354 50.191 87.383 -4.276 1.00 0.00 WT3 O ATOM 40409 H1 TIP3 3354 49.586 86.774 -4.699 1.00 0.00 WT3 H ATOM 40410 H2 TIP3 3354 50.662 86.849 -3.637 1.00 0.00 WT3 H ATOM 40411 OH2 TIP3 3367 22.763 81.971 36.376 1.00 0.00 WT3 O ATOM 40412 H1 TIP3 3367 22.065 82.494 35.982 1.00 0.00 WT3 H ATOM 40413 H2 TIP3 3367 22.410 81.081 36.402 1.00 0.00 WT3 H ATOM 40414 OH2 TIP3 3369 63.924 23.651 -3.467 1.00 0.00 WT3 O ATOM 40415 H1 TIP3 3369 64.689 23.188 -3.126 1.00 0.00 WT3 H ATOM 40416 H2 TIP3 3369 63.669 24.246 -2.761 1.00 0.00 WT3 H ATOM 40417 OH2 TIP3 3382 72.364 1.217 33.820 1.00 0.00 WT3 O ATOM 40418 H1 TIP3 3382 73.143 1.029 33.296 1.00 0.00 WT3 H ATOM 40419 H2 TIP3 3382 72.484 0.705 34.620 1.00 0.00 WT3 H ATOM 40420 OH2 TIP3 3408 61.853 52.749 51.478 1.00 0.00 WT3 O ATOM 40421 H1 TIP3 3408 62.177 52.524 50.606 1.00 0.00 WT3 H ATOM 40422 H2 TIP3 3408 61.612 51.909 51.869 1.00 0.00 WT3 H ATOM 40423 OH2 TIP3 3426 34.305 51.431 9.418 1.00 0.00 WT3 O ATOM 40424 H1 TIP3 3426 34.948 51.839 9.998 1.00 0.00 WT3 H ATOM 40425 H2 TIP3 3426 34.823 50.870 8.841 1.00 0.00 WT3 H ATOM 40426 OH2 TIP3 3440 38.033 73.807 34.516 1.00 0.00 WT3 O ATOM 40427 H1 TIP3 3440 38.492 72.988 34.328 1.00 0.00 WT3 H ATOM 40428 H2 TIP3 3440 38.694 74.364 34.928 1.00 0.00 WT3 H ATOM 40429 OH2 TIP3 3447 79.916 96.355 42.386 1.00 0.00 WT3 O ATOM 40430 H1 TIP3 3447 79.579 97.245 42.278 1.00 0.00 WT3 H ATOM 40431 H2 TIP3 3447 79.700 95.915 41.564 1.00 0.00 WT3 H ATOM 40432 OH2 TIP3 3480 38.561 83.865 5.391 1.00 0.00 WT3 O ATOM 40433 H1 TIP3 3480 38.774 83.680 6.305 1.00 0.00 WT3 H ATOM 40434 H2 TIP3 3480 38.049 83.108 5.105 1.00 0.00 WT3 H ATOM 40435 OH2 TIP3 3484 47.935 68.417 66.780 1.00 0.00 WT3 O ATOM 40436 H1 TIP3 3484 47.588 69.184 66.325 1.00 0.00 WT3 H ATOM 40437 H2 TIP3 3484 47.491 68.420 67.628 1.00 0.00 WT3 H ATOM 40438 OH2 TIP3 3496 80.626 76.691 32.426 1.00 0.00 WT3 O ATOM 40439 H1 TIP3 3496 80.022 76.851 33.152 1.00 0.00 WT3 H ATOM 40440 H2 TIP3 3496 81.463 76.500 32.848 1.00 0.00 WT3 H ATOM 40441 OH2 TIP3 3497 79.737 80.276 20.030 1.00 0.00 WT3 O ATOM 40442 H1 TIP3 3497 79.011 80.587 20.569 1.00 0.00 WT3 H ATOM 40443 H2 TIP3 3497 79.778 79.335 20.203 1.00 0.00 WT3 H ATOM 40444 OH2 TIP3 3511 42.830 35.227 62.771 1.00 0.00 WT3 O ATOM 40445 H1 TIP3 3511 42.985 35.515 61.871 1.00 0.00 WT3 H ATOM 40446 H2 TIP3 3511 43.297 34.395 62.840 1.00 0.00 WT3 H ATOM 40447 OH2 TIP3 3513 56.920 86.705 6.174 1.00 0.00 WT3 O ATOM 40448 H1 TIP3 3513 57.247 85.979 6.705 1.00 0.00 WT3 H ATOM 40449 H2 TIP3 3513 55.970 86.677 6.287 1.00 0.00 WT3 H ATOM 40450 OH2 TIP3 3514 78.162 63.115 -2.076 1.00 0.00 WT3 O ATOM 40451 H1 TIP3 3514 78.862 63.366 -2.678 1.00 0.00 WT3 H ATOM 40452 H2 TIP3 3514 77.372 63.106 -2.617 1.00 0.00 WT3 H ATOM 40453 OH2 TIP3 3521 28.807 53.271 46.221 1.00 0.00 WT3 O ATOM 40454 H1 TIP3 3521 29.489 53.552 46.831 1.00 0.00 WT3 H ATOM 40455 H2 TIP3 3521 29.175 53.447 45.354 1.00 0.00 WT3 H ATOM 40456 OH2 TIP3 3526 64.947 88.039 -10.283 1.00 0.00 WT3 O ATOM 40457 H1 TIP3 3526 65.055 88.859 -9.801 1.00 0.00 WT3 H ATOM 40458 H2 TIP3 3526 64.269 88.229 -10.932 1.00 0.00 WT3 H ATOM 40459 OH2 TIP3 3527 82.825 73.580 26.899 1.00 0.00 WT3 O ATOM 40460 H1 TIP3 3527 82.621 72.687 27.174 1.00 0.00 WT3 H ATOM 40461 H2 TIP3 3527 83.705 73.741 27.238 1.00 0.00 WT3 H ATOM 40462 OH2 TIP3 3533 22.645 1.548 -3.421 1.00 0.00 WT3 O ATOM 40463 H1 TIP3 3533 22.684 2.420 -3.814 1.00 0.00 WT3 H ATOM 40464 H2 TIP3 3533 23.450 1.480 -2.908 1.00 0.00 WT3 H ATOM 40465 OH2 TIP3 3534 40.672 33.111 48.091 1.00 0.00 WT3 O ATOM 40466 H1 TIP3 3534 41.162 32.398 48.500 1.00 0.00 WT3 H ATOM 40467 H2 TIP3 3534 41.333 33.614 47.615 1.00 0.00 WT3 H ATOM 40468 OH2 TIP3 3537 69.726 47.313 -0.076 1.00 0.00 WT3 O ATOM 40469 H1 TIP3 3537 70.399 47.073 0.561 1.00 0.00 WT3 H ATOM 40470 H2 TIP3 3537 69.114 47.860 0.415 1.00 0.00 WT3 H ATOM 40471 OH2 TIP3 3544 34.479 52.947 27.139 1.00 0.00 WT3 O ATOM 40472 H1 TIP3 3544 35.135 52.919 26.442 1.00 0.00 WT3 H ATOM 40473 H2 TIP3 3544 34.867 53.510 27.810 1.00 0.00 WT3 H ATOM 40474 OH2 TIP3 3545 80.558 52.126 45.969 1.00 0.00 WT3 O ATOM 40475 H1 TIP3 3545 81.103 51.854 45.232 1.00 0.00 WT3 H ATOM 40476 H2 TIP3 3545 81.181 52.430 46.629 1.00 0.00 WT3 H ATOM 40477 OH2 TIP3 3546 90.695 54.002 66.566 1.00 0.00 WT3 O ATOM 40478 H1 TIP3 3546 90.154 54.510 67.171 1.00 0.00 WT3 H ATOM 40479 H2 TIP3 3546 90.423 53.095 66.704 1.00 0.00 WT3 H ATOM 40480 OH2 TIP3 3548 46.941 75.856 -5.133 1.00 0.00 WT3 O ATOM 40481 H1 TIP3 3548 47.559 75.130 -5.227 1.00 0.00 WT3 H ATOM 40482 H2 TIP3 3548 46.082 75.436 -5.088 1.00 0.00 WT3 H ATOM 40483 OH2 TIP3 3552 53.452 9.615 16.649 1.00 0.00 WT3 O ATOM 40484 H1 TIP3 3552 54.216 9.912 17.142 1.00 0.00 WT3 H ATOM 40485 H2 TIP3 3552 53.165 10.388 16.162 1.00 0.00 WT3 H ATOM 40486 OH2 TIP3 3554 69.696 64.321 66.969 1.00 0.00 WT3 O ATOM 40487 H1 TIP3 3554 69.126 64.740 67.613 1.00 0.00 WT3 H ATOM 40488 H2 TIP3 3554 69.173 63.598 66.621 1.00 0.00 WT3 H ATOM 40489 OH2 TIP3 3555 46.594 71.756 -7.444 1.00 0.00 WT3 O ATOM 40490 H1 TIP3 3555 46.840 72.680 -7.395 1.00 0.00 WT3 H ATOM 40491 H2 TIP3 3555 46.762 71.416 -6.566 1.00 0.00 WT3 H ATOM 40492 OH2 TIP3 3556 40.953 82.560 40.031 1.00 0.00 WT3 O ATOM 40493 H1 TIP3 3556 40.926 82.313 40.955 1.00 0.00 WT3 H ATOM 40494 H2 TIP3 3556 41.814 82.271 39.730 1.00 0.00 WT3 H ATOM 40495 OH2 TIP3 3561 56.036 67.140 10.654 1.00 0.00 WT3 O ATOM 40496 H1 TIP3 3561 55.780 66.351 10.175 1.00 0.00 WT3 H ATOM 40497 H2 TIP3 3561 56.711 66.841 11.264 1.00 0.00 WT3 H ATOM 40498 OH2 TIP3 3566 39.568 93.452 28.679 1.00 0.00 WT3 O ATOM 40499 H1 TIP3 3566 39.806 94.365 28.515 1.00 0.00 WT3 H ATOM 40500 H2 TIP3 3566 40.211 93.150 29.321 1.00 0.00 WT3 H ATOM 40501 OH2 TIP3 3569 83.483 79.994 61.780 1.00 0.00 WT3 O ATOM 40502 H1 TIP3 3569 83.523 80.867 61.390 1.00 0.00 WT3 H ATOM 40503 H2 TIP3 3569 83.171 79.429 61.072 1.00 0.00 WT3 H ATOM 40504 OH2 TIP3 3571 32.344 86.931 2.676 1.00 0.00 WT3 O ATOM 40505 H1 TIP3 3571 32.861 87.542 3.200 1.00 0.00 WT3 H ATOM 40506 H2 TIP3 3571 32.894 86.150 2.605 1.00 0.00 WT3 H ATOM 40507 OH2 TIP3 3573 35.533 39.623 60.128 1.00 0.00 WT3 O ATOM 40508 H1 TIP3 3573 35.339 39.220 60.975 1.00 0.00 WT3 H ATOM 40509 H2 TIP3 3573 34.909 39.222 59.523 1.00 0.00 WT3 H ATOM 40510 OH2 TIP3 3575 36.533 3.037 63.397 1.00 0.00 WT3 O ATOM 40511 H1 TIP3 3575 37.020 2.993 62.575 1.00 0.00 WT3 H ATOM 40512 H2 TIP3 3575 37.196 3.233 64.059 1.00 0.00 WT3 H ATOM 40513 OH2 TIP3 3579 68.148 95.842 7.926 1.00 0.00 WT3 O ATOM 40514 H1 TIP3 3579 68.924 96.358 8.147 1.00 0.00 WT3 H ATOM 40515 H2 TIP3 3579 68.296 94.994 8.345 1.00 0.00 WT3 H ATOM 40516 OH2 TIP3 3580 40.758 28.221 66.797 1.00 0.00 WT3 O ATOM 40517 H1 TIP3 3580 40.251 28.660 67.480 1.00 0.00 WT3 H ATOM 40518 H2 TIP3 3580 40.104 27.923 66.165 1.00 0.00 WT3 H ATOM 40519 OH2 TIP3 3585 21.910 17.563 34.370 1.00 0.00 WT3 O ATOM 40520 H1 TIP3 3585 22.621 17.591 35.010 1.00 0.00 WT3 H ATOM 40521 H2 TIP3 3585 22.189 16.909 33.729 1.00 0.00 WT3 H ATOM 40522 OH2 TIP3 3586 35.033 48.883 17.795 1.00 0.00 WT3 O ATOM 40523 H1 TIP3 3586 35.619 48.230 17.413 1.00 0.00 WT3 H ATOM 40524 H2 TIP3 3586 35.401 49.057 18.661 1.00 0.00 WT3 H ATOM 40525 OH2 TIP3 3588 24.884 76.768 -18.789 1.00 0.00 WT3 O ATOM 40526 H1 TIP3 3588 25.586 77.347 -18.492 1.00 0.00 WT3 H ATOM 40527 H2 TIP3 3588 25.281 75.897 -18.805 1.00 0.00 WT3 H ATOM 40528 OH2 TIP3 3589 44.382 74.793 57.686 1.00 0.00 WT3 O ATOM 40529 H1 TIP3 3589 44.818 75.385 57.073 1.00 0.00 WT3 H ATOM 40530 H2 TIP3 3589 43.978 74.127 57.131 1.00 0.00 WT3 H ATOM 40531 OH2 TIP3 3590 34.952 0.310 52.290 1.00 0.00 WT3 O ATOM 40532 H1 TIP3 3590 35.181 0.956 52.958 1.00 0.00 WT3 H ATOM 40533 H2 TIP3 3590 35.794 -0.010 51.966 1.00 0.00 WT3 H ATOM 40534 OH2 TIP3 3593 37.936 55.930 64.573 1.00 0.00 WT3 O ATOM 40535 H1 TIP3 3593 37.610 56.099 65.457 1.00 0.00 WT3 H ATOM 40536 H2 TIP3 3593 37.629 55.047 64.369 1.00 0.00 WT3 H ATOM 40537 OH2 TIP3 3595 49.796 64.989 65.971 1.00 0.00 WT3 O ATOM 40538 H1 TIP3 3595 50.283 65.764 66.251 1.00 0.00 WT3 H ATOM 40539 H2 TIP3 3595 49.195 65.312 65.300 1.00 0.00 WT3 H ATOM 40540 OH2 TIP3 3596 61.493 93.165 56.280 1.00 0.00 WT3 O ATOM 40541 H1 TIP3 3596 60.885 93.613 56.868 1.00 0.00 WT3 H ATOM 40542 H2 TIP3 3596 61.000 93.051 55.467 1.00 0.00 WT3 H ATOM 40543 OH2 TIP3 3597 77.442 52.453 2.439 1.00 0.00 WT3 O ATOM 40544 H1 TIP3 3597 76.999 53.069 1.856 1.00 0.00 WT3 H ATOM 40545 H2 TIP3 3597 77.388 52.860 3.304 1.00 0.00 WT3 H ATOM 40546 OH2 TIP3 3598 60.674 13.027 4.489 1.00 0.00 WT3 O ATOM 40547 H1 TIP3 3598 60.889 13.571 5.246 1.00 0.00 WT3 H ATOM 40548 H2 TIP3 3598 60.243 13.625 3.879 1.00 0.00 WT3 H ATOM 40549 OH2 TIP3 3599 39.813 41.302 -9.047 1.00 0.00 WT3 O ATOM 40550 H1 TIP3 3599 40.187 40.655 -8.449 1.00 0.00 WT3 H ATOM 40551 H2 TIP3 3599 38.867 41.229 -8.919 1.00 0.00 WT3 H ATOM 40552 OH2 TIP3 3600 54.318 87.337 17.023 1.00 0.00 WT3 O ATOM 40553 H1 TIP3 3600 53.691 88.059 17.064 1.00 0.00 WT3 H ATOM 40554 H2 TIP3 3600 55.172 87.764 16.958 1.00 0.00 WT3 H ATOM 40555 OH2 TIP3 3601 33.123 7.386 37.498 1.00 0.00 WT3 O ATOM 40556 H1 TIP3 3601 32.613 7.948 38.081 1.00 0.00 WT3 H ATOM 40557 H2 TIP3 3601 33.988 7.794 37.469 1.00 0.00 WT3 H ATOM 40558 OH2 TIP3 3603 86.100 69.530 7.397 1.00 0.00 WT3 O ATOM 40559 H1 TIP3 3603 85.844 68.728 7.853 1.00 0.00 WT3 H ATOM 40560 H2 TIP3 3603 86.802 69.897 7.934 1.00 0.00 WT3 H ATOM 40561 OH2 TIP3 3604 62.125 94.652 26.954 1.00 0.00 WT3 O ATOM 40562 H1 TIP3 3604 61.476 94.038 26.612 1.00 0.00 WT3 H ATOM 40563 H2 TIP3 3604 62.951 94.169 26.926 1.00 0.00 WT3 H ATOM 40564 OH2 TIP3 3607 51.960 95.858 -12.177 1.00 0.00 WT3 O ATOM 40565 H1 TIP3 3607 51.625 96.753 -12.224 1.00 0.00 WT3 H ATOM 40566 H2 TIP3 3607 52.108 95.608 -13.089 1.00 0.00 WT3 H ATOM 40567 OH2 TIP3 3608 64.631 84.575 40.957 1.00 0.00 WT3 O ATOM 40568 H1 TIP3 3608 63.796 84.142 41.139 1.00 0.00 WT3 H ATOM 40569 H2 TIP3 3608 64.753 85.179 41.689 1.00 0.00 WT3 H ATOM 40570 OH2 TIP3 3609 66.456 76.362 51.201 1.00 0.00 WT3 O ATOM 40571 H1 TIP3 3609 66.542 76.430 50.250 1.00 0.00 WT3 H ATOM 40572 H2 TIP3 3609 66.117 77.215 51.472 1.00 0.00 WT3 H ATOM 40573 OH2 TIP3 3610 43.711 75.020 27.240 1.00 0.00 WT3 O ATOM 40574 H1 TIP3 3610 43.816 74.559 26.408 1.00 0.00 WT3 H ATOM 40575 H2 TIP3 3610 43.411 74.347 27.851 1.00 0.00 WT3 H ATOM 40576 OH2 TIP3 3612 42.308 65.863 1.844 1.00 0.00 WT3 O ATOM 40577 H1 TIP3 3612 42.596 65.077 1.379 1.00 0.00 WT3 H ATOM 40578 H2 TIP3 3612 42.962 65.988 2.532 1.00 0.00 WT3 H ATOM 40579 OH2 TIP3 3613 83.345 72.334 65.270 1.00 0.00 WT3 O ATOM 40580 H1 TIP3 3613 83.380 71.654 65.943 1.00 0.00 WT3 H ATOM 40581 H2 TIP3 3613 82.543 72.146 64.782 1.00 0.00 WT3 H ATOM 40582 OH2 TIP3 3614 88.202 71.515 31.342 1.00 0.00 WT3 O ATOM 40583 H1 TIP3 3614 88.244 70.612 31.025 1.00 0.00 WT3 H ATOM 40584 H2 TIP3 3614 87.478 71.907 30.855 1.00 0.00 WT3 H ATOM 40585 OH2 TIP3 3615 74.464 93.680 -7.081 1.00 0.00 WT3 O ATOM 40586 H1 TIP3 3615 75.055 94.255 -6.594 1.00 0.00 WT3 H ATOM 40587 H2 TIP3 3615 73.605 93.828 -6.684 1.00 0.00 WT3 H ATOM 40588 OH2 TIP3 3616 58.569 70.333 29.314 1.00 0.00 WT3 O ATOM 40589 H1 TIP3 3616 58.212 70.332 28.426 1.00 0.00 WT3 H ATOM 40590 H2 TIP3 3616 57.810 70.483 29.878 1.00 0.00 WT3 H ATOM 40591 OH2 TIP3 3617 32.383 10.133 53.059 1.00 0.00 WT3 O ATOM 40592 H1 TIP3 3617 31.949 9.541 53.673 1.00 0.00 WT3 H ATOM 40593 H2 TIP3 3617 33.318 9.994 53.212 1.00 0.00 WT3 H ATOM 40594 OH2 TIP3 3618 40.883 11.194 -19.245 1.00 0.00 WT3 O ATOM 40595 H1 TIP3 3618 40.454 11.990 -18.931 1.00 0.00 WT3 H ATOM 40596 H2 TIP3 3618 40.171 10.562 -19.344 1.00 0.00 WT3 H ATOM 40597 OH2 TIP3 3619 83.753 85.008 53.974 1.00 0.00 WT3 O ATOM 40598 H1 TIP3 3619 83.758 84.814 53.036 1.00 0.00 WT3 H ATOM 40599 H2 TIP3 3619 84.604 85.413 54.139 1.00 0.00 WT3 H ATOM 40600 OH2 TIP3 3620 81.692 71.920 51.706 1.00 0.00 WT3 O ATOM 40601 H1 TIP3 3620 82.514 71.473 51.500 1.00 0.00 WT3 H ATOM 40602 H2 TIP3 3620 81.371 71.480 52.493 1.00 0.00 WT3 H ATOM 40603 OH2 TIP3 3621 81.426 89.834 22.276 1.00 0.00 WT3 O ATOM 40604 H1 TIP3 3621 80.930 90.628 22.077 1.00 0.00 WT3 H ATOM 40605 H2 TIP3 3621 81.688 89.938 23.190 1.00 0.00 WT3 H ATOM 40606 OH2 TIP3 3622 54.217 65.330 14.357 1.00 0.00 WT3 O ATOM 40607 H1 TIP3 3622 54.019 65.890 13.606 1.00 0.00 WT3 H ATOM 40608 H2 TIP3 3622 54.320 64.455 13.983 1.00 0.00 WT3 H ATOM 40609 OH2 TIP3 3623 73.508 32.476 -13.534 1.00 0.00 WT3 O ATOM 40610 H1 TIP3 3623 73.451 32.782 -14.440 1.00 0.00 WT3 H ATOM 40611 H2 TIP3 3623 73.735 33.258 -13.031 1.00 0.00 WT3 H ATOM 40612 OH2 TIP3 3624 53.853 70.045 4.277 1.00 0.00 WT3 O ATOM 40613 H1 TIP3 3624 53.176 69.713 4.867 1.00 0.00 WT3 H ATOM 40614 H2 TIP3 3624 54.678 69.791 4.690 1.00 0.00 WT3 H ATOM 40615 OH2 TIP3 3625 25.044 14.313 -6.850 1.00 0.00 WT3 O ATOM 40616 H1 TIP3 3625 25.122 15.263 -6.939 1.00 0.00 WT3 H ATOM 40617 H2 TIP3 3625 24.272 14.086 -7.368 1.00 0.00 WT3 H ATOM 40618 OH2 TIP3 3626 50.622 56.223 -6.915 1.00 0.00 WT3 O ATOM 40619 H1 TIP3 3626 50.956 56.137 -6.022 1.00 0.00 WT3 H ATOM 40620 H2 TIP3 3626 51.327 55.886 -7.468 1.00 0.00 WT3 H ATOM 40621 OH2 TIP3 3627 27.032 51.143 -2.024 1.00 0.00 WT3 O ATOM 40622 H1 TIP3 3627 26.144 50.913 -1.749 1.00 0.00 WT3 H ATOM 40623 H2 TIP3 3627 27.137 52.056 -1.756 1.00 0.00 WT3 H ATOM 40624 OH2 TIP3 3628 47.598 85.118 30.536 1.00 0.00 WT3 O ATOM 40625 H1 TIP3 3628 46.963 84.688 29.964 1.00 0.00 WT3 H ATOM 40626 H2 TIP3 3628 48.204 84.422 30.789 1.00 0.00 WT3 H ATOM 40627 OH2 TIP3 3629 71.826 76.030 -5.689 1.00 0.00 WT3 O ATOM 40628 H1 TIP3 3629 72.058 75.121 -5.882 1.00 0.00 WT3 H ATOM 40629 H2 TIP3 3629 72.522 76.336 -5.107 1.00 0.00 WT3 H ATOM 40630 OH2 TIP3 3630 42.513 12.433 30.850 1.00 0.00 WT3 O ATOM 40631 H1 TIP3 3630 43.185 13.092 31.023 1.00 0.00 WT3 H ATOM 40632 H2 TIP3 3630 42.865 11.916 30.126 1.00 0.00 WT3 H ATOM 40633 OH2 TIP3 3632 62.662 50.215 11.311 1.00 0.00 WT3 O ATOM 40634 H1 TIP3 3632 61.748 50.472 11.430 1.00 0.00 WT3 H ATOM 40635 H2 TIP3 3632 62.732 49.367 11.750 1.00 0.00 WT3 H ATOM 40636 OH2 TIP3 3633 80.871 31.928 6.947 1.00 0.00 WT3 O ATOM 40637 H1 TIP3 3633 80.388 32.755 6.951 1.00 0.00 WT3 H ATOM 40638 H2 TIP3 3633 80.342 31.339 7.485 1.00 0.00 WT3 H ATOM 40639 OH2 TIP3 3634 51.575 96.648 -6.310 1.00 0.00 WT3 O ATOM 40640 H1 TIP3 3634 51.624 95.740 -6.011 1.00 0.00 WT3 H ATOM 40641 H2 TIP3 3634 51.421 96.581 -7.253 1.00 0.00 WT3 H ATOM 40642 OH2 TIP3 3635 33.588 65.602 42.564 1.00 0.00 WT3 O ATOM 40643 H1 TIP3 3635 34.262 66.007 42.018 1.00 0.00 WT3 H ATOM 40644 H2 TIP3 3635 34.037 64.882 43.006 1.00 0.00 WT3 H ATOM 40645 OH2 TIP3 3636 75.918 63.567 9.170 1.00 0.00 WT3 O ATOM 40646 H1 TIP3 3636 75.208 63.867 9.737 1.00 0.00 WT3 H ATOM 40647 H2 TIP3 3636 76.141 64.331 8.639 1.00 0.00 WT3 H ATOM 40648 OH2 TIP3 3637 57.868 23.287 2.514 1.00 0.00 WT3 O ATOM 40649 H1 TIP3 3637 57.469 24.040 2.951 1.00 0.00 WT3 H ATOM 40650 H2 TIP3 3637 57.205 22.599 2.569 1.00 0.00 WT3 H ATOM 40651 OH2 TIP3 3638 45.450 70.337 66.461 1.00 0.00 WT3 O ATOM 40652 H1 TIP3 3638 45.045 70.238 67.322 1.00 0.00 WT3 H ATOM 40653 H2 TIP3 3638 44.922 69.787 65.882 1.00 0.00 WT3 H ATOM 40654 OH2 TIP3 3639 81.666 18.456 64.806 1.00 0.00 WT3 O ATOM 40655 H1 TIP3 3639 81.395 18.750 63.936 1.00 0.00 WT3 H ATOM 40656 H2 TIP3 3639 82.115 17.625 64.649 1.00 0.00 WT3 H ATOM 40657 OH2 TIP3 3640 78.550 45.063 22.087 1.00 0.00 WT3 O ATOM 40658 H1 TIP3 3640 78.541 45.836 21.522 1.00 0.00 WT3 H ATOM 40659 H2 TIP3 3640 77.635 44.783 22.124 1.00 0.00 WT3 H ATOM 40660 OH2 TIP3 3641 76.094 62.482 53.014 1.00 0.00 WT3 O ATOM 40661 H1 TIP3 3641 76.360 61.601 53.276 1.00 0.00 WT3 H ATOM 40662 H2 TIP3 3641 75.145 62.423 52.904 1.00 0.00 WT3 H ATOM 40663 OH2 TIP3 3644 31.367 44.595 27.705 1.00 0.00 WT3 O ATOM 40664 H1 TIP3 3644 31.462 45.033 26.860 1.00 0.00 WT3 H ATOM 40665 H2 TIP3 3644 31.145 45.298 28.316 1.00 0.00 WT3 H ATOM 40666 OH2 TIP3 3645 40.293 71.036 63.216 1.00 0.00 WT3 O ATOM 40667 H1 TIP3 3645 39.626 70.774 63.850 1.00 0.00 WT3 H ATOM 40668 H2 TIP3 3645 40.925 71.542 63.727 1.00 0.00 WT3 H ATOM 40669 OH2 TIP3 3646 58.003 89.143 6.630 1.00 0.00 WT3 O ATOM 40670 H1 TIP3 3646 58.897 88.991 6.934 1.00 0.00 WT3 H ATOM 40671 H2 TIP3 3646 57.659 88.268 6.448 1.00 0.00 WT3 H ATOM 40672 OH2 TIP3 3647 60.755 70.075 48.031 1.00 0.00 WT3 O ATOM 40673 H1 TIP3 3647 61.197 70.007 48.878 1.00 0.00 WT3 H ATOM 40674 H2 TIP3 3647 61.238 69.478 47.460 1.00 0.00 WT3 H ATOM 40675 OH2 TIP3 3648 56.885 10.146 60.784 1.00 0.00 WT3 O ATOM 40676 H1 TIP3 3648 56.407 10.007 59.967 1.00 0.00 WT3 H ATOM 40677 H2 TIP3 3648 56.700 9.365 61.306 1.00 0.00 WT3 H ATOM 40678 OH2 TIP3 3649 57.513 85.656 43.597 1.00 0.00 WT3 O ATOM 40679 H1 TIP3 3649 56.890 85.353 42.937 1.00 0.00 WT3 H ATOM 40680 H2 TIP3 3649 58.372 85.437 43.236 1.00 0.00 WT3 H ATOM 40681 OH2 TIP3 3650 29.265 38.554 56.050 1.00 0.00 WT3 O ATOM 40682 H1 TIP3 3650 28.651 38.934 56.678 1.00 0.00 WT3 H ATOM 40683 H2 TIP3 3650 29.459 39.267 55.442 1.00 0.00 WT3 H ATOM 40684 OH2 TIP3 3651 59.834 31.867 60.259 1.00 0.00 WT3 O ATOM 40685 H1 TIP3 3651 59.427 31.745 59.401 1.00 0.00 WT3 H ATOM 40686 H2 TIP3 3651 59.509 32.716 60.560 1.00 0.00 WT3 H ATOM 40687 OH2 TIP3 3652 33.323 67.318 -11.525 1.00 0.00 WT3 O ATOM 40688 H1 TIP3 3652 32.493 67.790 -11.467 1.00 0.00 WT3 H ATOM 40689 H2 TIP3 3652 33.115 66.430 -11.233 1.00 0.00 WT3 H ATOM 40690 OH2 TIP3 3653 65.884 81.553 -3.053 1.00 0.00 WT3 O ATOM 40691 H1 TIP3 3653 65.277 81.611 -2.314 1.00 0.00 WT3 H ATOM 40692 H2 TIP3 3653 65.357 81.793 -3.815 1.00 0.00 WT3 H ATOM 40693 OH2 TIP3 3654 61.409 83.303 16.574 1.00 0.00 WT3 O ATOM 40694 H1 TIP3 3654 61.366 83.356 15.619 1.00 0.00 WT3 H ATOM 40695 H2 TIP3 3654 62.252 82.887 16.753 1.00 0.00 WT3 H ATOM 40696 OH2 TIP3 3655 48.265 92.017 32.061 1.00 0.00 WT3 O ATOM 40697 H1 TIP3 3655 48.647 91.193 32.364 1.00 0.00 WT3 H ATOM 40698 H2 TIP3 3655 47.553 91.751 31.479 1.00 0.00 WT3 H ATOM 40699 OH2 TIP3 3656 74.188 68.571 40.907 1.00 0.00 WT3 O ATOM 40700 H1 TIP3 3656 75.075 68.924 40.968 1.00 0.00 WT3 H ATOM 40701 H2 TIP3 3656 74.060 68.099 41.730 1.00 0.00 WT3 H ATOM 40702 OH2 TIP3 3657 60.489 6.422 -14.621 1.00 0.00 WT3 O ATOM 40703 H1 TIP3 3657 60.885 6.524 -15.487 1.00 0.00 WT3 H ATOM 40704 H2 TIP3 3657 60.618 5.499 -14.406 1.00 0.00 WT3 H ATOM 40705 OH2 TIP3 3658 35.811 92.087 -1.973 1.00 0.00 WT3 O ATOM 40706 H1 TIP3 3658 34.977 92.226 -2.420 1.00 0.00 WT3 H ATOM 40707 H2 TIP3 3658 35.567 91.827 -1.084 1.00 0.00 WT3 H ATOM 40708 OH2 TIP3 3660 42.043 32.347 10.571 1.00 0.00 WT3 O ATOM 40709 H1 TIP3 3660 42.593 31.819 11.149 1.00 0.00 WT3 H ATOM 40710 H2 TIP3 3660 41.683 33.028 11.140 1.00 0.00 WT3 H ATOM 40711 OH2 TIP3 3661 50.820 36.391 61.320 1.00 0.00 WT3 O ATOM 40712 H1 TIP3 3661 49.987 36.648 61.716 1.00 0.00 WT3 H ATOM 40713 H2 TIP3 3661 50.580 36.033 60.466 1.00 0.00 WT3 H ATOM 40714 OH2 TIP3 3662 66.756 22.073 67.279 1.00 0.00 WT3 O ATOM 40715 H1 TIP3 3662 66.813 22.812 66.674 1.00 0.00 WT3 H ATOM 40716 H2 TIP3 3662 67.610 21.645 67.216 1.00 0.00 WT3 H ATOM 40717 OH2 TIP3 3663 24.265 26.105 18.367 1.00 0.00 WT3 O ATOM 40718 H1 TIP3 3663 24.689 26.844 18.805 1.00 0.00 WT3 H ATOM 40719 H2 TIP3 3663 24.043 25.502 19.077 1.00 0.00 WT3 H ATOM 40720 OH2 TIP3 3665 88.335 71.153 55.946 1.00 0.00 WT3 O ATOM 40721 H1 TIP3 3665 88.439 70.541 56.675 1.00 0.00 WT3 H ATOM 40722 H2 TIP3 3665 88.961 70.851 55.288 1.00 0.00 WT3 H ATOM 40723 OH2 TIP3 3666 20.942 49.545 18.919 1.00 0.00 WT3 O ATOM 40724 H1 TIP3 3666 21.670 50.058 19.270 1.00 0.00 WT3 H ATOM 40725 H2 TIP3 3666 20.753 48.899 19.600 1.00 0.00 WT3 H ATOM 40726 OH2 TIP3 3667 46.743 18.043 42.183 1.00 0.00 WT3 O ATOM 40727 H1 TIP3 3667 46.584 17.100 42.169 1.00 0.00 WT3 H ATOM 40728 H2 TIP3 3667 46.238 18.383 41.444 1.00 0.00 WT3 H ATOM 40729 OH2 TIP3 3669 25.106 95.171 40.127 1.00 0.00 WT3 O ATOM 40730 H1 TIP3 3669 25.255 95.846 39.465 1.00 0.00 WT3 H ATOM 40731 H2 TIP3 3669 24.543 94.530 39.694 1.00 0.00 WT3 H ATOM 40732 OH2 TIP3 3670 81.760 5.517 63.516 1.00 0.00 WT3 O ATOM 40733 H1 TIP3 3670 80.973 5.992 63.249 1.00 0.00 WT3 H ATOM 40734 H2 TIP3 3670 81.663 5.402 64.461 1.00 0.00 WT3 H ATOM 40735 OH2 TIP3 3671 44.962 91.272 34.225 1.00 0.00 WT3 O ATOM 40736 H1 TIP3 3671 44.853 90.771 33.417 1.00 0.00 WT3 H ATOM 40737 H2 TIP3 3671 44.653 92.151 34.005 1.00 0.00 WT3 H ATOM 40738 OH2 TIP3 3672 43.474 44.018 -19.385 1.00 0.00 WT3 O ATOM 40739 H1 TIP3 3672 44.021 44.736 -19.701 1.00 0.00 WT3 H ATOM 40740 H2 TIP3 3672 43.067 43.660 -20.175 1.00 0.00 WT3 H ATOM 40741 OH2 TIP3 3673 51.241 10.589 -17.501 1.00 0.00 WT3 O ATOM 40742 H1 TIP3 3673 50.773 10.899 -18.276 1.00 0.00 WT3 H ATOM 40743 H2 TIP3 3673 52.090 10.298 -17.834 1.00 0.00 WT3 H ATOM 40744 OH2 TIP3 3674 29.512 54.902 1.628 1.00 0.00 WT3 O ATOM 40745 H1 TIP3 3674 30.045 54.205 1.246 1.00 0.00 WT3 H ATOM 40746 H2 TIP3 3674 30.072 55.289 2.301 1.00 0.00 WT3 H ATOM 40747 OH2 TIP3 3675 68.985 10.858 43.600 1.00 0.00 WT3 O ATOM 40748 H1 TIP3 3675 68.880 10.856 44.552 1.00 0.00 WT3 H ATOM 40749 H2 TIP3 3675 69.325 9.988 43.394 1.00 0.00 WT3 H ATOM 40750 OH2 TIP3 3676 37.186 56.383 -8.260 1.00 0.00 WT3 O ATOM 40751 H1 TIP3 3676 37.039 55.454 -8.083 1.00 0.00 WT3 H ATOM 40752 H2 TIP3 3676 37.074 56.810 -7.411 1.00 0.00 WT3 H ATOM 40753 OH2 TIP3 3678 70.881 67.923 20.849 1.00 0.00 WT3 O ATOM 40754 H1 TIP3 3678 70.953 67.197 20.229 1.00 0.00 WT3 H ATOM 40755 H2 TIP3 3678 71.362 67.627 21.622 1.00 0.00 WT3 H ATOM 40756 OH2 TIP3 3680 58.031 56.669 56.998 1.00 0.00 WT3 O ATOM 40757 H1 TIP3 3680 57.760 56.536 56.090 1.00 0.00 WT3 H ATOM 40758 H2 TIP3 3680 57.277 56.389 57.517 1.00 0.00 WT3 H ATOM 40759 OH2 TIP3 3682 60.342 64.507 -14.452 1.00 0.00 WT3 O ATOM 40760 H1 TIP3 3682 59.428 64.286 -14.627 1.00 0.00 WT3 H ATOM 40761 H2 TIP3 3682 60.613 63.891 -13.771 1.00 0.00 WT3 H ATOM 40762 OH2 TIP3 3684 69.576 55.468 -0.004 1.00 0.00 WT3 O ATOM 40763 H1 TIP3 3684 69.639 56.280 0.497 1.00 0.00 WT3 H ATOM 40764 H2 TIP3 3684 68.678 55.169 0.135 1.00 0.00 WT3 H ATOM 40765 OH2 TIP3 3685 24.845 19.541 17.600 1.00 0.00 WT3 O ATOM 40766 H1 TIP3 3685 25.610 19.155 18.027 1.00 0.00 WT3 H ATOM 40767 H2 TIP3 3685 25.198 20.266 17.085 1.00 0.00 WT3 H ATOM 40768 OH2 TIP3 3686 63.480 78.772 -4.613 1.00 0.00 WT3 O ATOM 40769 H1 TIP3 3686 64.289 78.373 -4.935 1.00 0.00 WT3 H ATOM 40770 H2 TIP3 3686 63.491 78.610 -3.670 1.00 0.00 WT3 H ATOM 40771 OH2 TIP3 3688 35.977 1.782 19.476 1.00 0.00 WT3 O ATOM 40772 H1 TIP3 3688 35.500 1.950 18.663 1.00 0.00 WT3 H ATOM 40773 H2 TIP3 3688 35.561 1.002 19.841 1.00 0.00 WT3 H ATOM 40774 OH2 TIP3 3689 28.320 87.392 12.888 1.00 0.00 WT3 O ATOM 40775 H1 TIP3 3689 28.784 86.578 13.084 1.00 0.00 WT3 H ATOM 40776 H2 TIP3 3689 29.001 88.065 12.903 1.00 0.00 WT3 H ATOM 40777 OH2 TIP3 3690 26.762 37.987 53.026 1.00 0.00 WT3 O ATOM 40778 H1 TIP3 3690 26.751 38.061 53.980 1.00 0.00 WT3 H ATOM 40779 H2 TIP3 3690 27.665 38.185 52.780 1.00 0.00 WT3 H ATOM 40780 OH2 TIP3 3691 77.274 45.129 34.191 1.00 0.00 WT3 O ATOM 40781 H1 TIP3 3691 77.322 44.210 34.455 1.00 0.00 WT3 H ATOM 40782 H2 TIP3 3691 76.340 45.293 34.061 1.00 0.00 WT3 H ATOM 40783 OH2 TIP3 3692 85.253 54.503 31.860 1.00 0.00 WT3 O ATOM 40784 H1 TIP3 3692 86.041 54.019 31.612 1.00 0.00 WT3 H ATOM 40785 H2 TIP3 3692 85.288 55.303 31.335 1.00 0.00 WT3 H ATOM 40786 OH2 TIP3 3693 82.579 97.017 35.886 1.00 0.00 WT3 O ATOM 40787 H1 TIP3 3693 82.366 96.206 35.424 1.00 0.00 WT3 H ATOM 40788 H2 TIP3 3693 82.913 96.728 36.735 1.00 0.00 WT3 H ATOM 40789 OH2 TIP3 3694 63.288 13.755 1.675 1.00 0.00 WT3 O ATOM 40790 H1 TIP3 3694 63.514 14.162 2.512 1.00 0.00 WT3 H ATOM 40791 H2 TIP3 3694 62.457 14.160 1.429 1.00 0.00 WT3 H ATOM 40792 OH2 TIP3 3695 74.366 37.021 63.895 1.00 0.00 WT3 O ATOM 40793 H1 TIP3 3695 73.855 37.065 63.087 1.00 0.00 WT3 H ATOM 40794 H2 TIP3 3695 73.711 36.997 64.592 1.00 0.00 WT3 H ATOM 40795 OH2 TIP3 3696 62.760 62.638 22.123 1.00 0.00 WT3 O ATOM 40796 H1 TIP3 3696 62.989 61.845 21.638 1.00 0.00 WT3 H ATOM 40797 H2 TIP3 3696 61.849 62.809 21.886 1.00 0.00 WT3 H ATOM 40798 OH2 TIP3 3697 26.282 11.306 32.587 1.00 0.00 WT3 O ATOM 40799 H1 TIP3 3697 26.505 12.235 32.648 1.00 0.00 WT3 H ATOM 40800 H2 TIP3 3697 26.686 10.911 33.360 1.00 0.00 WT3 H ATOM 40801 OH2 TIP3 3700 63.425 81.370 57.965 1.00 0.00 WT3 O ATOM 40802 H1 TIP3 3700 64.300 81.421 57.580 1.00 0.00 WT3 H ATOM 40803 H2 TIP3 3700 63.057 80.557 57.619 1.00 0.00 WT3 H ATOM 40804 OH2 TIP3 3701 46.813 29.760 -6.204 1.00 0.00 WT3 O ATOM 40805 H1 TIP3 3701 46.290 30.557 -6.123 1.00 0.00 WT3 H ATOM 40806 H2 TIP3 3701 46.174 29.070 -6.381 1.00 0.00 WT3 H ATOM 40807 OH2 TIP3 3703 38.278 58.932 48.749 1.00 0.00 WT3 O ATOM 40808 H1 TIP3 3703 38.812 59.257 49.475 1.00 0.00 WT3 H ATOM 40809 H2 TIP3 3703 38.616 59.390 47.979 1.00 0.00 WT3 H ATOM 40810 OH2 TIP3 3704 28.363 44.089 -2.139 1.00 0.00 WT3 O ATOM 40811 H1 TIP3 3704 27.423 43.988 -2.288 1.00 0.00 WT3 H ATOM 40812 H2 TIP3 3704 28.453 44.119 -1.186 1.00 0.00 WT3 H ATOM 40813 OH2 TIP3 3707 36.329 86.996 4.029 1.00 0.00 WT3 O ATOM 40814 H1 TIP3 3707 35.454 86.872 4.396 1.00 0.00 WT3 H ATOM 40815 H2 TIP3 3707 36.631 87.823 4.404 1.00 0.00 WT3 H ATOM 40816 OH2 TIP3 3708 80.774 52.807 21.671 1.00 0.00 WT3 O ATOM 40817 H1 TIP3 3708 81.209 52.672 20.829 1.00 0.00 WT3 H ATOM 40818 H2 TIP3 3708 80.646 53.754 21.725 1.00 0.00 WT3 H ATOM 40819 OH2 TIP3 3709 75.148 92.240 40.836 1.00 0.00 WT3 O ATOM 40820 H1 TIP3 3709 75.213 93.175 41.029 1.00 0.00 WT3 H ATOM 40821 H2 TIP3 3709 74.762 91.859 41.625 1.00 0.00 WT3 H ATOM 40822 OH2 TIP3 3710 73.145 85.146 36.212 1.00 0.00 WT3 O ATOM 40823 H1 TIP3 3710 73.020 84.952 35.283 1.00 0.00 WT3 H ATOM 40824 H2 TIP3 3710 72.543 84.554 36.663 1.00 0.00 WT3 H ATOM 40825 OH2 TIP3 3712 68.547 57.679 26.750 1.00 0.00 WT3 O ATOM 40826 H1 TIP3 3712 68.438 56.801 27.115 1.00 0.00 WT3 H ATOM 40827 H2 TIP3 3712 67.657 57.972 26.556 1.00 0.00 WT3 H ATOM 40828 OH2 TIP3 3715 62.045 73.242 32.553 1.00 0.00 WT3 O ATOM 40829 H1 TIP3 3715 61.935 73.129 31.609 1.00 0.00 WT3 H ATOM 40830 H2 TIP3 3715 61.422 72.629 32.943 1.00 0.00 WT3 H ATOM 40831 OH2 TIP3 3716 48.432 79.418 44.366 1.00 0.00 WT3 O ATOM 40832 H1 TIP3 3716 47.737 79.783 43.818 1.00 0.00 WT3 H ATOM 40833 H2 TIP3 3716 48.029 78.664 44.796 1.00 0.00 WT3 H ATOM 40834 OH2 TIP3 3717 20.131 4.175 41.138 1.00 0.00 WT3 O ATOM 40835 H1 TIP3 3717 19.937 3.554 41.840 1.00 0.00 WT3 H ATOM 40836 H2 TIP3 3717 20.948 4.594 41.407 1.00 0.00 WT3 H ATOM 40837 OH2 TIP3 3718 66.551 80.344 8.073 1.00 0.00 WT3 O ATOM 40838 H1 TIP3 3718 65.729 80.549 8.518 1.00 0.00 WT3 H ATOM 40839 H2 TIP3 3718 66.309 79.702 7.406 1.00 0.00 WT3 H ATOM 40840 OH2 TIP3 3720 50.406 56.212 61.155 1.00 0.00 WT3 O ATOM 40841 H1 TIP3 3720 51.049 56.533 60.522 1.00 0.00 WT3 H ATOM 40842 H2 TIP3 3720 50.298 55.286 60.938 1.00 0.00 WT3 H ATOM 40843 OH2 TIP3 3721 26.151 63.734 66.950 1.00 0.00 WT3 O ATOM 40844 H1 TIP3 3721 25.787 64.319 67.614 1.00 0.00 WT3 H ATOM 40845 H2 TIP3 3721 26.465 64.318 66.260 1.00 0.00 WT3 H ATOM 40846 OH2 TIP3 3722 33.220 81.772 52.571 1.00 0.00 WT3 O ATOM 40847 H1 TIP3 3722 34.069 82.063 52.904 1.00 0.00 WT3 H ATOM 40848 H2 TIP3 3722 32.579 82.246 53.099 1.00 0.00 WT3 H ATOM 40849 OH2 TIP3 3723 76.482 4.340 -13.491 1.00 0.00 WT3 O ATOM 40850 H1 TIP3 3723 75.618 4.029 -13.222 1.00 0.00 WT3 H ATOM 40851 H2 TIP3 3723 76.870 3.599 -13.955 1.00 0.00 WT3 H ATOM 40852 OH2 TIP3 3724 57.012 64.448 -10.202 1.00 0.00 WT3 O ATOM 40853 H1 TIP3 3724 56.192 64.683 -9.768 1.00 0.00 WT3 H ATOM 40854 H2 TIP3 3724 57.073 63.498 -10.101 1.00 0.00 WT3 H ATOM 40855 OH2 TIP3 3725 26.858 72.799 57.861 1.00 0.00 WT3 O ATOM 40856 H1 TIP3 3725 27.617 73.318 57.595 1.00 0.00 WT3 H ATOM 40857 H2 TIP3 3725 26.273 73.429 58.282 1.00 0.00 WT3 H ATOM 40858 OH2 TIP3 3726 32.738 16.313 20.776 1.00 0.00 WT3 O ATOM 40859 H1 TIP3 3726 31.983 16.822 20.482 1.00 0.00 WT3 H ATOM 40860 H2 TIP3 3726 33.470 16.648 20.257 1.00 0.00 WT3 H ATOM 40861 OH2 TIP3 3727 51.392 6.767 46.588 1.00 0.00 WT3 O ATOM 40862 H1 TIP3 3727 50.814 7.529 46.548 1.00 0.00 WT3 H ATOM 40863 H2 TIP3 3727 51.831 6.843 47.436 1.00 0.00 WT3 H ATOM 40864 OH2 TIP3 3728 60.683 22.330 26.277 1.00 0.00 WT3 O ATOM 40865 H1 TIP3 3728 59.970 22.129 25.671 1.00 0.00 WT3 H ATOM 40866 H2 TIP3 3728 61.095 23.112 25.912 1.00 0.00 WT3 H ATOM 40867 OH2 TIP3 3729 81.927 4.577 -17.208 1.00 0.00 WT3 O ATOM 40868 H1 TIP3 3729 82.165 4.702 -16.290 1.00 0.00 WT3 H ATOM 40869 H2 TIP3 3729 81.524 3.709 -17.236 1.00 0.00 WT3 H ATOM 40870 OH2 TIP3 3732 63.981 89.958 33.104 1.00 0.00 WT3 O ATOM 40871 H1 TIP3 3732 63.389 89.226 32.929 1.00 0.00 WT3 H ATOM 40872 H2 TIP3 3732 64.544 89.647 33.813 1.00 0.00 WT3 H ATOM 40873 OH2 TIP3 3733 27.322 36.808 36.617 1.00 0.00 WT3 O ATOM 40874 H1 TIP3 3733 26.960 37.425 35.982 1.00 0.00 WT3 H ATOM 40875 H2 TIP3 3733 26.629 36.698 37.268 1.00 0.00 WT3 H ATOM 40876 OH2 TIP3 3734 65.937 61.246 40.735 1.00 0.00 WT3 O ATOM 40877 H1 TIP3 3734 65.209 61.693 40.303 1.00 0.00 WT3 H ATOM 40878 H2 TIP3 3734 66.035 60.425 40.251 1.00 0.00 WT3 H ATOM 40879 OH2 TIP3 3736 81.015 83.098 56.754 1.00 0.00 WT3 O ATOM 40880 H1 TIP3 3736 81.028 83.237 55.807 1.00 0.00 WT3 H ATOM 40881 H2 TIP3 3736 80.334 83.689 57.074 1.00 0.00 WT3 H ATOM 40882 OH2 TIP3 3738 32.270 15.918 59.178 1.00 0.00 WT3 O ATOM 40883 H1 TIP3 3738 32.911 15.774 58.481 1.00 0.00 WT3 H ATOM 40884 H2 TIP3 3738 32.482 15.257 59.838 1.00 0.00 WT3 H ATOM 40885 OH2 TIP3 3740 83.257 57.176 9.933 1.00 0.00 WT3 O ATOM 40886 H1 TIP3 3740 83.243 56.325 10.371 1.00 0.00 WT3 H ATOM 40887 H2 TIP3 3740 82.842 57.017 9.085 1.00 0.00 WT3 H ATOM 40888 OH2 TIP3 3741 42.043 1.417 -0.062 1.00 0.00 WT3 O ATOM 40889 H1 TIP3 3741 41.261 1.850 -0.405 1.00 0.00 WT3 H ATOM 40890 H2 TIP3 3741 42.682 1.478 -0.772 1.00 0.00 WT3 H ATOM 40891 OH2 TIP3 3742 56.383 58.375 59.170 1.00 0.00 WT3 O ATOM 40892 H1 TIP3 3742 56.130 57.453 59.222 1.00 0.00 WT3 H ATOM 40893 H2 TIP3 3742 55.592 58.824 58.873 1.00 0.00 WT3 H ATOM 40894 OH2 TIP3 3745 83.844 82.485 55.417 1.00 0.00 WT3 O ATOM 40895 H1 TIP3 3745 83.461 82.644 56.280 1.00 0.00 WT3 H ATOM 40896 H2 TIP3 3745 83.950 83.357 55.038 1.00 0.00 WT3 H ATOM 40897 OH2 TIP3 3750 24.552 26.378 41.832 1.00 0.00 WT3 O ATOM 40898 H1 TIP3 3750 24.322 27.196 42.274 1.00 0.00 WT3 H ATOM 40899 H2 TIP3 3750 23.731 26.075 41.446 1.00 0.00 WT3 H ATOM 40900 OH2 TIP3 3751 55.597 11.467 16.146 1.00 0.00 WT3 O ATOM 40901 H1 TIP3 3751 55.856 12.005 16.894 1.00 0.00 WT3 H ATOM 40902 H2 TIP3 3751 56.170 11.755 15.435 1.00 0.00 WT3 H ATOM 40903 OH2 TIP3 3753 38.254 81.773 13.922 1.00 0.00 WT3 O ATOM 40904 H1 TIP3 3753 38.379 82.518 14.509 1.00 0.00 WT3 H ATOM 40905 H2 TIP3 3753 38.837 81.096 14.267 1.00 0.00 WT3 H ATOM 40906 OH2 TIP3 3754 32.330 2.347 -12.826 1.00 0.00 WT3 O ATOM 40907 H1 TIP3 3754 33.096 2.094 -12.312 1.00 0.00 WT3 H ATOM 40908 H2 TIP3 3754 31.973 1.519 -13.149 1.00 0.00 WT3 H ATOM 40909 OH2 TIP3 3757 32.904 61.892 55.634 1.00 0.00 WT3 O ATOM 40910 H1 TIP3 3757 33.645 62.426 55.346 1.00 0.00 WT3 H ATOM 40911 H2 TIP3 3757 33.159 60.994 55.422 1.00 0.00 WT3 H ATOM 40912 OH2 TIP3 3759 45.446 53.339 -14.650 1.00 0.00 WT3 O ATOM 40913 H1 TIP3 3759 45.937 53.588 -13.866 1.00 0.00 WT3 H ATOM 40914 H2 TIP3 3759 46.106 53.288 -15.340 1.00 0.00 WT3 H ATOM 40915 OH2 TIP3 3775 78.821 18.330 56.052 1.00 0.00 WT3 O ATOM 40916 H1 TIP3 3775 79.563 17.954 55.578 1.00 0.00 WT3 H ATOM 40917 H2 TIP3 3775 78.553 19.080 55.521 1.00 0.00 WT3 H ATOM 40918 OH2 TIP3 3778 30.015 19.505 39.449 1.00 0.00 WT3 O ATOM 40919 H1 TIP3 3778 30.934 19.244 39.392 1.00 0.00 WT3 H ATOM 40920 H2 TIP3 3778 29.912 19.825 40.345 1.00 0.00 WT3 H ATOM 40921 OH2 TIP3 3787 47.088 77.834 30.327 1.00 0.00 WT3 O ATOM 40922 H1 TIP3 3787 46.805 76.978 30.004 1.00 0.00 WT3 H ATOM 40923 H2 TIP3 3787 48.042 77.769 30.375 1.00 0.00 WT3 H ATOM 40924 OH2 TIP3 3792 61.296 61.042 -9.086 1.00 0.00 WT3 O ATOM 40925 H1 TIP3 3792 60.629 60.383 -9.275 1.00 0.00 WT3 H ATOM 40926 H2 TIP3 3792 61.562 60.862 -8.185 1.00 0.00 WT3 H ATOM 40927 OH2 TIP3 3795 76.896 81.226 26.196 1.00 0.00 WT3 O ATOM 40928 H1 TIP3 3795 76.515 81.966 25.724 1.00 0.00 WT3 H ATOM 40929 H2 TIP3 3795 76.731 81.419 27.119 1.00 0.00 WT3 H ATOM 40930 OH2 TIP3 3803 58.957 94.110 -11.192 1.00 0.00 WT3 O ATOM 40931 H1 TIP3 3803 59.160 94.039 -10.259 1.00 0.00 WT3 H ATOM 40932 H2 TIP3 3803 58.274 94.779 -11.239 1.00 0.00 WT3 H ATOM 40933 OH2 TIP3 3821 81.570 73.581 10.382 1.00 0.00 WT3 O ATOM 40934 H1 TIP3 3821 81.791 74.425 10.777 1.00 0.00 WT3 H ATOM 40935 H2 TIP3 3821 82.395 73.268 10.010 1.00 0.00 WT3 H ATOM 40936 OH2 TIP3 3829 24.803 34.083 9.117 1.00 0.00 WT3 O ATOM 40937 H1 TIP3 3829 24.789 34.486 9.985 1.00 0.00 WT3 H ATOM 40938 H2 TIP3 3829 25.113 34.778 8.536 1.00 0.00 WT3 H ATOM 40939 OH2 TIP3 3834 79.606 24.365 8.529 1.00 0.00 WT3 O ATOM 40940 H1 TIP3 3834 80.343 23.764 8.643 1.00 0.00 WT3 H ATOM 40941 H2 TIP3 3834 79.584 24.873 9.341 1.00 0.00 WT3 H ATOM 40942 OH2 TIP3 3906 25.949 32.351 57.895 1.00 0.00 WT3 O ATOM 40943 H1 TIP3 3906 25.270 32.454 58.561 1.00 0.00 WT3 H ATOM 40944 H2 TIP3 3906 26.372 33.209 57.849 1.00 0.00 WT3 H ATOM 40945 OH2 TIP3 3924 60.537 73.918 57.023 1.00 0.00 WT3 O ATOM 40946 H1 TIP3 3924 60.670 73.885 57.970 1.00 0.00 WT3 H ATOM 40947 H2 TIP3 3924 61.334 73.536 56.655 1.00 0.00 WT3 H ATOM 40948 OH2 TIP3 3925 50.105 82.438 37.350 1.00 0.00 WT3 O ATOM 40949 H1 TIP3 3925 50.278 83.224 36.832 1.00 0.00 WT3 H ATOM 40950 H2 TIP3 3925 50.757 82.464 38.050 1.00 0.00 WT3 H ATOM 40951 OH2 TIP3 3931 64.134 27.738 -8.418 1.00 0.00 WT3 O ATOM 40952 H1 TIP3 3931 64.208 28.463 -7.797 1.00 0.00 WT3 H ATOM 40953 H2 TIP3 3931 65.022 27.621 -8.756 1.00 0.00 WT3 H ATOM 40954 OH2 TIP3 3933 54.126 92.756 9.377 1.00 0.00 WT3 O ATOM 40955 H1 TIP3 3933 54.352 93.541 8.878 1.00 0.00 WT3 H ATOM 40956 H2 TIP3 3933 53.531 92.271 8.805 1.00 0.00 WT3 H ATOM 40957 OH2 TIP3 3935 72.558 50.714 52.297 1.00 0.00 WT3 O ATOM 40958 H1 TIP3 3935 72.253 51.316 52.976 1.00 0.00 WT3 H ATOM 40959 H2 TIP3 3935 71.923 50.811 51.588 1.00 0.00 WT3 H ATOM 40960 OH2 TIP3 3951 27.851 15.062 55.725 1.00 0.00 WT3 O ATOM 40961 H1 TIP3 3951 28.557 15.496 55.245 1.00 0.00 WT3 H ATOM 40962 H2 TIP3 3951 27.469 15.754 56.266 1.00 0.00 WT3 H ATOM 40963 OH2 TIP3 3953 56.018 58.922 15.497 1.00 0.00 WT3 O ATOM 40964 H1 TIP3 3953 56.147 59.778 15.090 1.00 0.00 WT3 H ATOM 40965 H2 TIP3 3953 56.282 59.047 16.408 1.00 0.00 WT3 H ATOM 40966 OH2 TIP3 3973 26.304 83.701 -7.969 1.00 0.00 WT3 O ATOM 40967 H1 TIP3 3973 26.350 83.402 -7.061 1.00 0.00 WT3 H ATOM 40968 H2 TIP3 3973 25.690 83.099 -8.389 1.00 0.00 WT3 H ATOM 40969 OH2 TIP3 3974 33.639 80.693 7.066 1.00 0.00 WT3 O ATOM 40970 H1 TIP3 3974 33.194 79.977 7.519 1.00 0.00 WT3 H ATOM 40971 H2 TIP3 3974 33.071 80.898 6.324 1.00 0.00 WT3 H ATOM 40972 OH2 TIP3 3975 62.599 39.605 3.799 1.00 0.00 WT3 O ATOM 40973 H1 TIP3 3975 61.706 39.277 3.904 1.00 0.00 WT3 H ATOM 40974 H2 TIP3 3975 62.840 39.928 4.667 1.00 0.00 WT3 H ATOM 40975 OH2 TIP3 3976 34.984 33.587 -19.670 1.00 0.00 WT3 O ATOM 40976 H1 TIP3 3976 34.330 32.899 -19.547 1.00 0.00 WT3 H ATOM 40977 H2 TIP3 3976 35.820 33.160 -19.480 1.00 0.00 WT3 H ATOM 40978 OH2 TIP3 3977 53.649 10.956 43.235 1.00 0.00 WT3 O ATOM 40979 H1 TIP3 3977 53.716 11.434 44.062 1.00 0.00 WT3 H ATOM 40980 H2 TIP3 3977 53.222 10.132 43.469 1.00 0.00 WT3 H ATOM 40981 OH2 TIP3 3986 52.169 91.154 41.134 1.00 0.00 WT3 O ATOM 40982 H1 TIP3 3986 52.644 91.968 41.303 1.00 0.00 WT3 H ATOM 40983 H2 TIP3 3986 52.492 90.859 40.283 1.00 0.00 WT3 H ATOM 40984 OH2 TIP3 3991 55.906 87.305 2.658 1.00 0.00 WT3 O ATOM 40985 H1 TIP3 3991 55.128 87.801 2.912 1.00 0.00 WT3 H ATOM 40986 H2 TIP3 3991 55.896 86.534 3.224 1.00 0.00 WT3 H ATOM 40987 OH2 TIP3 3992 75.503 58.701 2.215 1.00 0.00 WT3 O ATOM 40988 H1 TIP3 3992 75.889 57.845 2.031 1.00 0.00 WT3 H ATOM 40989 H2 TIP3 3992 74.903 58.543 2.944 1.00 0.00 WT3 H ATOM 40990 OH2 TIP3 3993 77.022 52.762 51.663 1.00 0.00 WT3 O ATOM 40991 H1 TIP3 3993 76.713 52.762 52.569 1.00 0.00 WT3 H ATOM 40992 H2 TIP3 3993 76.351 52.278 51.181 1.00 0.00 WT3 H ATOM 40993 OH2 TIP3 3995 83.494 88.578 -8.993 1.00 0.00 WT3 O ATOM 40994 H1 TIP3 3995 82.976 88.874 -9.742 1.00 0.00 WT3 H ATOM 40995 H2 TIP3 3995 83.056 87.779 -8.700 1.00 0.00 WT3 H ATOM 40996 OH2 TIP3 3996 47.695 22.604 -14.627 1.00 0.00 WT3 O ATOM 40997 H1 TIP3 3996 47.666 22.679 -13.674 1.00 0.00 WT3 H ATOM 40998 H2 TIP3 3996 47.128 23.309 -14.941 1.00 0.00 WT3 H ATOM 40999 OH2 TIP3 3997 55.569 13.329 55.332 1.00 0.00 WT3 O ATOM 41000 H1 TIP3 3997 55.131 13.323 54.481 1.00 0.00 WT3 H ATOM 41001 H2 TIP3 3997 55.002 13.860 55.891 1.00 0.00 WT3 H ATOM 41002 OH2 TIP3 4000 58.847 14.409 -5.792 1.00 0.00 WT3 O ATOM 41003 H1 TIP3 4000 59.047 14.948 -5.026 1.00 0.00 WT3 H ATOM 41004 H2 TIP3 4000 58.612 13.555 -5.430 1.00 0.00 WT3 H ATOM 41005 OH2 TIP3 4001 33.078 49.339 3.964 1.00 0.00 WT3 O ATOM 41006 H1 TIP3 4001 33.935 49.530 3.583 1.00 0.00 WT3 H ATOM 41007 H2 TIP3 4001 33.199 48.509 4.424 1.00 0.00 WT3 H ATOM 41008 OH2 TIP3 4007 76.980 93.000 17.155 1.00 0.00 WT3 O ATOM 41009 H1 TIP3 4007 76.798 92.670 18.035 1.00 0.00 WT3 H ATOM 41010 H2 TIP3 4007 77.125 92.214 16.629 1.00 0.00 WT3 H ATOM 41011 OH2 TIP3 4009 20.360 53.283 37.620 1.00 0.00 WT3 O ATOM 41012 H1 TIP3 4009 20.058 52.728 36.901 1.00 0.00 WT3 H ATOM 41013 H2 TIP3 4009 20.380 52.702 38.380 1.00 0.00 WT3 H ATOM 41014 OH2 TIP3 4010 79.983 10.139 -17.083 1.00 0.00 WT3 O ATOM 41015 H1 TIP3 4010 80.090 9.894 -18.003 1.00 0.00 WT3 H ATOM 41016 H2 TIP3 4010 80.146 9.329 -16.599 1.00 0.00 WT3 H ATOM 41017 OH2 TIP3 4012 59.293 51.665 -1.868 1.00 0.00 WT3 O ATOM 41018 H1 TIP3 4012 60.066 51.117 -2.002 1.00 0.00 WT3 H ATOM 41019 H2 TIP3 4012 59.143 51.641 -0.923 1.00 0.00 WT3 H ATOM 41020 OH2 TIP3 4013 58.133 69.697 37.368 1.00 0.00 WT3 O ATOM 41021 H1 TIP3 4013 58.582 69.183 36.697 1.00 0.00 WT3 H ATOM 41022 H2 TIP3 4013 57.511 69.087 37.762 1.00 0.00 WT3 H ATOM 41023 OH2 TIP3 4014 85.309 55.741 60.608 1.00 0.00 WT3 O ATOM 41024 H1 TIP3 4014 85.567 56.659 60.689 1.00 0.00 WT3 H ATOM 41025 H2 TIP3 4014 85.639 55.473 59.750 1.00 0.00 WT3 H ATOM 41026 OH2 TIP3 4015 56.065 74.149 38.334 1.00 0.00 WT3 O ATOM 41027 H1 TIP3 4015 56.078 73.988 37.390 1.00 0.00 WT3 H ATOM 41028 H2 TIP3 4015 55.200 74.522 38.501 1.00 0.00 WT3 H ATOM 41029 OH2 TIP3 4016 84.611 78.551 -18.306 1.00 0.00 WT3 O ATOM 41030 H1 TIP3 4016 84.239 78.869 -19.129 1.00 0.00 WT3 H ATOM 41031 H2 TIP3 4016 83.852 78.394 -17.744 1.00 0.00 WT3 H ATOM 41032 OH2 TIP3 4017 41.080 0.894 -3.456 1.00 0.00 WT3 O ATOM 41033 H1 TIP3 4017 40.682 1.574 -2.914 1.00 0.00 WT3 H ATOM 41034 H2 TIP3 4017 40.962 0.087 -2.955 1.00 0.00 WT3 H ATOM 41035 OH2 TIP3 4018 55.172 79.165 2.513 1.00 0.00 WT3 O ATOM 41036 H1 TIP3 4018 55.200 79.473 1.607 1.00 0.00 WT3 H ATOM 41037 H2 TIP3 4018 55.581 78.300 2.484 1.00 0.00 WT3 H ATOM 41038 OH2 TIP3 4019 40.489 80.929 21.662 1.00 0.00 WT3 O ATOM 41039 H1 TIP3 4019 39.951 80.139 21.701 1.00 0.00 WT3 H ATOM 41040 H2 TIP3 4019 40.125 81.432 20.933 1.00 0.00 WT3 H ATOM 41041 OH2 TIP3 4020 75.632 68.698 62.377 1.00 0.00 WT3 O ATOM 41042 H1 TIP3 4020 75.885 68.232 63.174 1.00 0.00 WT3 H ATOM 41043 H2 TIP3 4020 74.794 69.106 62.594 1.00 0.00 WT3 H ATOM 41044 OH2 TIP3 4021 77.000 70.563 18.679 1.00 0.00 WT3 O ATOM 41045 H1 TIP3 4021 77.558 71.086 19.255 1.00 0.00 WT3 H ATOM 41046 H2 TIP3 4021 76.116 70.895 18.834 1.00 0.00 WT3 H ATOM 41047 OH2 TIP3 4022 67.356 43.105 1.824 1.00 0.00 WT3 O ATOM 41048 H1 TIP3 4022 67.745 43.228 0.958 1.00 0.00 WT3 H ATOM 41049 H2 TIP3 4022 67.453 43.955 2.253 1.00 0.00 WT3 H ATOM 41050 OH2 TIP3 4025 87.699 90.616 19.449 1.00 0.00 WT3 O ATOM 41051 H1 TIP3 4025 88.326 91.201 19.023 1.00 0.00 WT3 H ATOM 41052 H2 TIP3 4025 86.982 91.190 19.719 1.00 0.00 WT3 H ATOM 41053 OH2 TIP3 4026 75.334 57.480 25.755 1.00 0.00 WT3 O ATOM 41054 H1 TIP3 4026 75.227 57.942 24.924 1.00 0.00 WT3 H ATOM 41055 H2 TIP3 4026 74.710 56.755 25.709 1.00 0.00 WT3 H ATOM 41056 OH2 TIP3 4030 83.812 90.872 -18.914 1.00 0.00 WT3 O ATOM 41057 H1 TIP3 4030 84.274 90.474 -19.651 1.00 0.00 WT3 H ATOM 41058 H2 TIP3 4030 83.862 90.217 -18.217 1.00 0.00 WT3 H ATOM 41059 OH2 TIP3 4032 48.357 71.626 24.722 1.00 0.00 WT3 O ATOM 41060 H1 TIP3 4032 49.256 71.332 24.866 1.00 0.00 WT3 H ATOM 41061 H2 TIP3 4032 47.988 70.982 24.118 1.00 0.00 WT3 H ATOM 41062 OH2 TIP3 4035 25.778 31.501 8.234 1.00 0.00 WT3 O ATOM 41063 H1 TIP3 4035 25.437 32.382 8.389 1.00 0.00 WT3 H ATOM 41064 H2 TIP3 4035 25.499 30.997 8.998 1.00 0.00 WT3 H ATOM 41065 OH2 TIP3 4036 41.559 94.514 65.571 1.00 0.00 WT3 O ATOM 41066 H1 TIP3 4036 41.826 94.144 66.412 1.00 0.00 WT3 H ATOM 41067 H2 TIP3 4036 40.955 95.220 65.800 1.00 0.00 WT3 H ATOM 41068 OH2 TIP3 4037 66.361 65.614 -7.293 1.00 0.00 WT3 O ATOM 41069 H1 TIP3 4037 65.479 65.409 -6.985 1.00 0.00 WT3 H ATOM 41070 H2 TIP3 4037 66.931 65.392 -6.557 1.00 0.00 WT3 H ATOM 41071 OH2 TIP3 4039 82.930 27.656 53.273 1.00 0.00 WT3 O ATOM 41072 H1 TIP3 4039 82.410 27.109 52.684 1.00 0.00 WT3 H ATOM 41073 H2 TIP3 4039 83.784 27.724 52.847 1.00 0.00 WT3 H ATOM 41074 OH2 TIP3 4040 50.747 25.256 65.453 1.00 0.00 WT3 O ATOM 41075 H1 TIP3 4040 50.750 25.852 66.202 1.00 0.00 WT3 H ATOM 41076 H2 TIP3 4040 49.839 24.957 65.389 1.00 0.00 WT3 H ATOM 41077 OH2 TIP3 4043 34.246 93.338 -11.637 1.00 0.00 WT3 O ATOM 41078 H1 TIP3 4043 35.051 93.854 -11.683 1.00 0.00 WT3 H ATOM 41079 H2 TIP3 4043 34.395 92.726 -10.916 1.00 0.00 WT3 H ATOM 41080 OH2 TIP3 4044 58.722 21.944 35.256 1.00 0.00 WT3 O ATOM 41081 H1 TIP3 4044 59.638 22.169 35.423 1.00 0.00 WT3 H ATOM 41082 H2 TIP3 4044 58.523 22.357 34.416 1.00 0.00 WT3 H ATOM 41083 OH2 TIP3 4045 82.216 49.063 19.688 1.00 0.00 WT3 O ATOM 41084 H1 TIP3 4045 81.999 48.446 18.990 1.00 0.00 WT3 H ATOM 41085 H2 TIP3 4045 81.375 49.440 19.945 1.00 0.00 WT3 H ATOM 41086 OH2 TIP3 4047 40.495 22.642 34.575 1.00 0.00 WT3 O ATOM 41087 H1 TIP3 4047 40.527 22.088 33.795 1.00 0.00 WT3 H ATOM 41088 H2 TIP3 4047 39.605 22.996 34.581 1.00 0.00 WT3 H ATOM 41089 OH2 TIP3 4050 31.750 71.604 21.798 1.00 0.00 WT3 O ATOM 41090 H1 TIP3 4050 32.435 71.036 22.150 1.00 0.00 WT3 H ATOM 41091 H2 TIP3 4050 31.325 71.076 21.121 1.00 0.00 WT3 H ATOM 41092 OH2 TIP3 4052 41.625 73.850 25.566 1.00 0.00 WT3 O ATOM 41093 H1 TIP3 4052 41.154 73.022 25.473 1.00 0.00 WT3 H ATOM 41094 H2 TIP3 4052 42.240 73.860 24.833 1.00 0.00 WT3 H ATOM 41095 OH2 TIP3 4053 34.502 75.969 16.568 1.00 0.00 WT3 O ATOM 41096 H1 TIP3 4053 35.352 75.857 16.144 1.00 0.00 WT3 H ATOM 41097 H2 TIP3 4053 34.685 76.510 17.336 1.00 0.00 WT3 H ATOM 41098 OH2 TIP3 4054 78.368 87.845 24.683 1.00 0.00 WT3 O ATOM 41099 H1 TIP3 4054 78.048 87.916 25.583 1.00 0.00 WT3 H ATOM 41100 H2 TIP3 4054 78.852 87.020 24.665 1.00 0.00 WT3 H ATOM 41101 OH2 TIP3 4055 52.126 90.813 45.258 1.00 0.00 WT3 O ATOM 41102 H1 TIP3 4055 51.740 91.376 45.929 1.00 0.00 WT3 H ATOM 41103 H2 TIP3 4055 52.064 91.325 44.451 1.00 0.00 WT3 H ATOM 41104 OH2 TIP3 4056 88.075 87.353 26.268 1.00 0.00 WT3 O ATOM 41105 H1 TIP3 4056 87.704 86.848 25.543 1.00 0.00 WT3 H ATOM 41106 H2 TIP3 4056 87.345 87.470 26.876 1.00 0.00 WT3 H ATOM 41107 OH2 TIP3 4057 60.049 60.446 -18.721 1.00 0.00 WT3 O ATOM 41108 H1 TIP3 4057 59.601 60.214 -17.908 1.00 0.00 WT3 H ATOM 41109 H2 TIP3 4057 60.569 61.218 -18.497 1.00 0.00 WT3 H ATOM 41110 OH2 TIP3 4059 63.899 84.874 18.318 1.00 0.00 WT3 O ATOM 41111 H1 TIP3 4059 64.042 84.301 17.565 1.00 0.00 WT3 H ATOM 41112 H2 TIP3 4059 64.466 84.518 19.002 1.00 0.00 WT3 H ATOM 41113 OH2 TIP3 4060 59.901 82.817 23.704 1.00 0.00 WT3 O ATOM 41114 H1 TIP3 4060 59.299 82.971 22.975 1.00 0.00 WT3 H ATOM 41115 H2 TIP3 4060 59.459 82.164 24.246 1.00 0.00 WT3 H ATOM 41116 OH2 TIP3 4061 61.416 73.212 37.340 1.00 0.00 WT3 O ATOM 41117 H1 TIP3 4061 61.404 72.435 37.899 1.00 0.00 WT3 H ATOM 41118 H2 TIP3 4061 60.493 73.411 37.185 1.00 0.00 WT3 H ATOM 41119 OH2 TIP3 4063 44.952 15.791 42.591 1.00 0.00 WT3 O ATOM 41120 H1 TIP3 4063 44.279 16.448 42.769 1.00 0.00 WT3 H ATOM 41121 H2 TIP3 4063 44.574 15.240 41.905 1.00 0.00 WT3 H ATOM 41122 OH2 TIP3 4064 68.977 11.636 2.582 1.00 0.00 WT3 O ATOM 41123 H1 TIP3 4064 68.192 11.249 2.195 1.00 0.00 WT3 H ATOM 41124 H2 TIP3 4064 68.788 11.676 3.519 1.00 0.00 WT3 H ATOM 41125 OH2 TIP3 4065 89.790 4.287 47.819 1.00 0.00 WT3 O ATOM 41126 H1 TIP3 4065 90.094 3.396 47.992 1.00 0.00 WT3 H ATOM 41127 H2 TIP3 4065 88.915 4.321 48.206 1.00 0.00 WT3 H ATOM 41128 OH2 TIP3 4066 60.072 87.340 -18.886 1.00 0.00 WT3 O ATOM 41129 H1 TIP3 4066 60.201 87.144 -19.814 1.00 0.00 WT3 H ATOM 41130 H2 TIP3 4066 60.812 87.902 -18.655 1.00 0.00 WT3 H ATOM 41131 OH2 TIP3 4067 76.377 59.711 -18.778 1.00 0.00 WT3 O ATOM 41132 H1 TIP3 4067 75.685 59.292 -18.267 1.00 0.00 WT3 H ATOM 41133 H2 TIP3 4067 76.718 60.396 -18.203 1.00 0.00 WT3 H ATOM 41134 OH2 TIP3 4068 56.340 7.061 -9.889 1.00 0.00 WT3 O ATOM 41135 H1 TIP3 4068 56.663 7.153 -10.785 1.00 0.00 WT3 H ATOM 41136 H2 TIP3 4068 56.702 6.228 -9.587 1.00 0.00 WT3 H ATOM 41137 OH2 TIP3 4069 55.245 66.157 40.859 1.00 0.00 WT3 O ATOM 41138 H1 TIP3 4069 54.910 66.669 40.123 1.00 0.00 WT3 H ATOM 41139 H2 TIP3 4069 54.629 65.429 40.944 1.00 0.00 WT3 H ATOM 41140 OH2 TIP3 4072 80.090 76.649 67.581 1.00 0.00 WT3 O ATOM 41141 H1 TIP3 4072 80.724 77.263 67.212 1.00 0.00 WT3 H ATOM 41142 H2 TIP3 4072 80.041 75.939 66.940 1.00 0.00 WT3 H ATOM 41143 OH2 TIP3 4073 68.510 64.245 10.009 1.00 0.00 WT3 O ATOM 41144 H1 TIP3 4073 67.688 64.320 10.494 1.00 0.00 WT3 H ATOM 41145 H2 TIP3 4073 68.828 63.365 10.210 1.00 0.00 WT3 H ATOM 41146 OH2 TIP3 4074 84.290 88.299 1.598 1.00 0.00 WT3 O ATOM 41147 H1 TIP3 4074 84.547 87.488 1.158 1.00 0.00 WT3 H ATOM 41148 H2 TIP3 4074 83.426 88.109 1.965 1.00 0.00 WT3 H ATOM 41149 OH2 TIP3 4075 38.932 95.041 39.243 1.00 0.00 WT3 O ATOM 41150 H1 TIP3 4075 39.435 94.940 38.435 1.00 0.00 WT3 H ATOM 41151 H2 TIP3 4075 38.224 94.401 39.166 1.00 0.00 WT3 H ATOM 41152 OH2 TIP3 4076 80.073 40.932 -5.363 1.00 0.00 WT3 O ATOM 41153 H1 TIP3 4076 79.184 40.706 -5.637 1.00 0.00 WT3 H ATOM 41154 H2 TIP3 4076 80.144 41.872 -5.529 1.00 0.00 WT3 H ATOM 41155 OH2 TIP3 4077 28.552 68.473 9.450 1.00 0.00 WT3 O ATOM 41156 H1 TIP3 4077 28.747 67.560 9.664 1.00 0.00 WT3 H ATOM 41157 H2 TIP3 4077 29.395 68.921 9.520 1.00 0.00 WT3 H ATOM 41158 OH2 TIP3 4078 49.846 60.207 57.332 1.00 0.00 WT3 O ATOM 41159 H1 TIP3 4078 50.256 60.691 56.615 1.00 0.00 WT3 H ATOM 41160 H2 TIP3 4078 49.678 60.869 58.003 1.00 0.00 WT3 H ATOM 41161 OH2 TIP3 4079 22.305 35.444 45.238 1.00 0.00 WT3 O ATOM 41162 H1 TIP3 4079 21.895 34.581 45.178 1.00 0.00 WT3 H ATOM 41163 H2 TIP3 4079 23.241 35.259 45.320 1.00 0.00 WT3 H ATOM 41164 OH2 TIP3 4080 58.170 19.165 30.544 1.00 0.00 WT3 O ATOM 41165 H1 TIP3 4080 58.108 20.065 30.864 1.00 0.00 WT3 H ATOM 41166 H2 TIP3 4080 58.561 19.245 29.674 1.00 0.00 WT3 H ATOM 41167 OH2 TIP3 4081 85.723 58.200 33.315 1.00 0.00 WT3 O ATOM 41168 H1 TIP3 4081 85.597 59.065 32.925 1.00 0.00 WT3 H ATOM 41169 H2 TIP3 4081 85.268 57.601 32.723 1.00 0.00 WT3 H ATOM 41170 OH2 TIP3 4083 46.639 94.741 -20.091 1.00 0.00 WT3 O ATOM 41171 H1 TIP3 4083 47.545 94.462 -19.959 1.00 0.00 WT3 H ATOM 41172 H2 TIP3 4083 46.467 95.347 -19.370 1.00 0.00 WT3 H ATOM 41173 OH2 TIP3 4085 35.483 61.704 24.055 1.00 0.00 WT3 O ATOM 41174 H1 TIP3 4085 35.997 61.744 23.249 1.00 0.00 WT3 H ATOM 41175 H2 TIP3 4085 36.127 61.544 24.744 1.00 0.00 WT3 H ATOM 41176 OH2 TIP3 4086 33.837 66.963 -2.209 1.00 0.00 WT3 O ATOM 41177 H1 TIP3 4086 33.587 67.037 -3.130 1.00 0.00 WT3 H ATOM 41178 H2 TIP3 4086 33.095 67.331 -1.729 1.00 0.00 WT3 H ATOM 41179 OH2 TIP3 4087 50.569 80.077 32.323 1.00 0.00 WT3 O ATOM 41180 H1 TIP3 4087 50.865 79.211 32.604 1.00 0.00 WT3 H ATOM 41181 H2 TIP3 4087 49.617 80.050 32.422 1.00 0.00 WT3 H ATOM 41182 OH2 TIP3 4089 46.829 3.836 18.968 1.00 0.00 WT3 O ATOM 41183 H1 TIP3 4089 46.295 3.150 18.567 1.00 0.00 WT3 H ATOM 41184 H2 TIP3 4089 47.044 4.425 18.245 1.00 0.00 WT3 H ATOM 41185 OH2 TIP3 4091 89.311 68.281 34.707 1.00 0.00 WT3 O ATOM 41186 H1 TIP3 4091 89.931 69.011 34.711 1.00 0.00 WT3 H ATOM 41187 H2 TIP3 4091 88.792 68.411 33.913 1.00 0.00 WT3 H ATOM 41188 OH2 TIP3 4092 80.424 46.840 35.995 1.00 0.00 WT3 O ATOM 41189 H1 TIP3 4092 81.271 47.269 35.877 1.00 0.00 WT3 H ATOM 41190 H2 TIP3 4092 80.585 46.169 36.658 1.00 0.00 WT3 H ATOM 41191 OH2 TIP3 4093 39.715 89.064 53.133 1.00 0.00 WT3 O ATOM 41192 H1 TIP3 4093 40.383 88.734 52.533 1.00 0.00 WT3 H ATOM 41193 H2 TIP3 4093 38.990 89.326 52.566 1.00 0.00 WT3 H ATOM 41194 OH2 TIP3 4096 47.421 3.564 12.899 1.00 0.00 WT3 O ATOM 41195 H1 TIP3 4096 46.961 4.144 13.506 1.00 0.00 WT3 H ATOM 41196 H2 TIP3 4096 47.469 2.726 13.359 1.00 0.00 WT3 H ATOM 41197 OH2 TIP3 4097 31.950 8.316 -17.066 1.00 0.00 WT3 O ATOM 41198 H1 TIP3 4097 31.941 7.996 -17.968 1.00 0.00 WT3 H ATOM 41199 H2 TIP3 4097 31.058 8.628 -16.913 1.00 0.00 WT3 H ATOM 41200 OH2 TIP3 4098 42.385 71.516 54.042 1.00 0.00 WT3 O ATOM 41201 H1 TIP3 4098 41.532 71.193 53.753 1.00 0.00 WT3 H ATOM 41202 H2 TIP3 4098 42.933 70.734 54.094 1.00 0.00 WT3 H ATOM 41203 OH2 TIP3 4099 53.515 83.665 30.315 1.00 0.00 WT3 O ATOM 41204 H1 TIP3 4099 53.892 83.310 29.509 1.00 0.00 WT3 H ATOM 41205 H2 TIP3 4099 52.773 83.091 30.506 1.00 0.00 WT3 H ATOM 41206 OH2 TIP3 4101 51.695 67.267 60.463 1.00 0.00 WT3 O ATOM 41207 H1 TIP3 4101 51.261 68.104 60.300 1.00 0.00 WT3 H ATOM 41208 H2 TIP3 4101 52.621 67.439 60.291 1.00 0.00 WT3 H ATOM 41209 OH2 TIP3 4102 53.366 14.718 42.133 1.00 0.00 WT3 O ATOM 41210 H1 TIP3 4102 53.564 14.840 41.205 1.00 0.00 WT3 H ATOM 41211 H2 TIP3 4102 52.412 14.650 42.167 1.00 0.00 WT3 H ATOM 41212 OH2 TIP3 4103 25.828 81.636 48.269 1.00 0.00 WT3 O ATOM 41213 H1 TIP3 4103 25.620 80.791 48.668 1.00 0.00 WT3 H ATOM 41214 H2 TIP3 4103 25.444 82.282 48.862 1.00 0.00 WT3 H ATOM 41215 OH2 TIP3 4104 73.593 42.202 27.399 1.00 0.00 WT3 O ATOM 41216 H1 TIP3 4104 73.361 42.370 28.312 1.00 0.00 WT3 H ATOM 41217 H2 TIP3 4104 72.791 42.385 26.910 1.00 0.00 WT3 H ATOM 41218 OH2 TIP3 4105 61.285 95.126 51.874 1.00 0.00 WT3 O ATOM 41219 H1 TIP3 4105 60.617 95.450 51.270 1.00 0.00 WT3 H ATOM 41220 H2 TIP3 4105 61.602 95.909 52.324 1.00 0.00 WT3 H ATOM 41221 OH2 TIP3 4108 26.383 26.625 53.626 1.00 0.00 WT3 O ATOM 41222 H1 TIP3 4108 27.248 26.946 53.882 1.00 0.00 WT3 H ATOM 41223 H2 TIP3 4108 26.095 26.093 54.367 1.00 0.00 WT3 H ATOM 41224 OH2 TIP3 4109 59.479 20.320 -1.390 1.00 0.00 WT3 O ATOM 41225 H1 TIP3 4109 60.303 20.765 -1.194 1.00 0.00 WT3 H ATOM 41226 H2 TIP3 4109 59.067 20.861 -2.063 1.00 0.00 WT3 H ATOM 41227 OH2 TIP3 4110 63.229 13.276 26.858 1.00 0.00 WT3 O ATOM 41228 H1 TIP3 4110 63.344 14.140 27.253 1.00 0.00 WT3 H ATOM 41229 H2 TIP3 4110 63.543 12.663 27.523 1.00 0.00 WT3 H ATOM 41230 OH2 TIP3 4111 69.155 86.071 61.163 1.00 0.00 WT3 O ATOM 41231 H1 TIP3 4111 69.197 86.537 61.998 1.00 0.00 WT3 H ATOM 41232 H2 TIP3 4111 68.278 86.259 60.828 1.00 0.00 WT3 H ATOM 41233 OH2 TIP3 4112 76.769 80.952 55.044 1.00 0.00 WT3 O ATOM 41234 H1 TIP3 4112 77.399 80.263 54.832 1.00 0.00 WT3 H ATOM 41235 H2 TIP3 4112 76.441 80.718 55.912 1.00 0.00 WT3 H ATOM 41236 OH2 TIP3 4113 31.800 76.526 53.855 1.00 0.00 WT3 O ATOM 41237 H1 TIP3 4113 32.693 76.448 53.520 1.00 0.00 WT3 H ATOM 41238 H2 TIP3 4113 31.302 76.899 53.128 1.00 0.00 WT3 H ATOM 41239 OH2 TIP3 4114 55.120 1.814 11.903 1.00 0.00 WT3 O ATOM 41240 H1 TIP3 4114 56.033 1.755 11.621 1.00 0.00 WT3 H ATOM 41241 H2 TIP3 4114 55.164 2.189 12.783 1.00 0.00 WT3 H ATOM 41242 OH2 TIP3 4115 20.838 58.821 35.899 1.00 0.00 WT3 O ATOM 41243 H1 TIP3 4115 21.186 59.711 35.840 1.00 0.00 WT3 H ATOM 41244 H2 TIP3 4115 21.156 58.493 36.740 1.00 0.00 WT3 H ATOM 41245 OH2 TIP3 4116 56.046 29.422 4.370 1.00 0.00 WT3 O ATOM 41246 H1 TIP3 4116 55.797 29.537 3.453 1.00 0.00 WT3 H ATOM 41247 H2 TIP3 4116 55.292 29.743 4.865 1.00 0.00 WT3 H ATOM 41248 OH2 TIP3 4117 88.118 67.114 7.063 1.00 0.00 WT3 O ATOM 41249 H1 TIP3 4117 87.840 67.688 7.777 1.00 0.00 WT3 H ATOM 41250 H2 TIP3 4117 87.878 66.234 7.355 1.00 0.00 WT3 H ATOM 41251 OH2 TIP3 4118 67.192 61.733 23.839 1.00 0.00 WT3 O ATOM 41252 H1 TIP3 4118 67.321 60.807 24.042 1.00 0.00 WT3 H ATOM 41253 H2 TIP3 4118 66.251 61.873 23.939 1.00 0.00 WT3 H ATOM 41254 OH2 TIP3 4120 52.031 69.965 44.623 1.00 0.00 WT3 O ATOM 41255 H1 TIP3 4120 52.431 69.096 44.645 1.00 0.00 WT3 H ATOM 41256 H2 TIP3 4120 51.149 69.815 44.284 1.00 0.00 WT3 H ATOM 41257 OH2 TIP3 4121 53.781 59.181 58.712 1.00 0.00 WT3 O ATOM 41258 H1 TIP3 4121 53.508 59.904 58.147 1.00 0.00 WT3 H ATOM 41259 H2 TIP3 4121 53.305 58.421 58.377 1.00 0.00 WT3 H ATOM 41260 OH2 TIP3 4122 72.711 34.514 67.101 1.00 0.00 WT3 O ATOM 41261 H1 TIP3 4122 73.305 35.166 67.471 1.00 0.00 WT3 H ATOM 41262 H2 TIP3 4122 72.807 34.611 66.153 1.00 0.00 WT3 H ATOM 41263 OH2 TIP3 4123 34.308 33.665 0.741 1.00 0.00 WT3 O ATOM 41264 H1 TIP3 4123 35.095 33.600 1.282 1.00 0.00 WT3 H ATOM 41265 H2 TIP3 4123 34.196 34.604 0.591 1.00 0.00 WT3 H ATOM 41266 OH2 TIP3 4124 82.428 75.130 46.198 1.00 0.00 WT3 O ATOM 41267 H1 TIP3 4124 82.865 75.946 46.442 1.00 0.00 WT3 H ATOM 41268 H2 TIP3 4124 81.892 74.907 46.959 1.00 0.00 WT3 H ATOM 41269 OH2 TIP3 4127 45.408 74.980 31.985 1.00 0.00 WT3 O ATOM 41270 H1 TIP3 4127 46.146 75.222 32.544 1.00 0.00 WT3 H ATOM 41271 H2 TIP3 4127 45.680 74.162 31.569 1.00 0.00 WT3 H ATOM 41272 OH2 TIP3 4128 42.055 63.967 53.569 1.00 0.00 WT3 O ATOM 41273 H1 TIP3 4128 42.309 64.074 52.652 1.00 0.00 WT3 H ATOM 41274 H2 TIP3 4128 42.186 63.036 53.747 1.00 0.00 WT3 H ATOM 41275 OH2 TIP3 4129 32.849 0.069 23.843 1.00 0.00 WT3 O ATOM 41276 H1 TIP3 4129 32.439 -0.082 24.695 1.00 0.00 WT3 H ATOM 41277 H2 TIP3 4129 32.420 0.857 23.507 1.00 0.00 WT3 H ATOM 41278 OH2 TIP3 4130 55.341 19.313 49.488 1.00 0.00 WT3 O ATOM 41279 H1 TIP3 4130 55.670 19.213 50.382 1.00 0.00 WT3 H ATOM 41280 H2 TIP3 4130 54.906 18.481 49.299 1.00 0.00 WT3 H ATOM 41281 OH2 TIP3 4131 80.967 77.292 5.513 1.00 0.00 WT3 O ATOM 41282 H1 TIP3 4131 80.479 76.989 6.278 1.00 0.00 WT3 H ATOM 41283 H2 TIP3 4131 81.260 76.488 5.082 1.00 0.00 WT3 H ATOM 41284 OH2 TIP3 4132 27.897 49.470 30.121 1.00 0.00 WT3 O ATOM 41285 H1 TIP3 4132 28.429 49.945 29.482 1.00 0.00 WT3 H ATOM 41286 H2 TIP3 4132 27.551 48.721 29.636 1.00 0.00 WT3 H ATOM 41287 OH2 TIP3 4134 63.927 81.325 13.877 1.00 0.00 WT3 O ATOM 41288 H1 TIP3 4134 64.351 80.909 14.628 1.00 0.00 WT3 H ATOM 41289 H2 TIP3 4134 63.239 80.711 13.619 1.00 0.00 WT3 H ATOM 41290 OH2 TIP3 4136 38.673 2.527 -12.076 1.00 0.00 WT3 O ATOM 41291 H1 TIP3 4136 38.336 1.748 -11.634 1.00 0.00 WT3 H ATOM 41292 H2 TIP3 4136 38.292 3.261 -11.594 1.00 0.00 WT3 H ATOM 41293 OH2 TIP3 4137 49.487 69.904 43.066 1.00 0.00 WT3 O ATOM 41294 H1 TIP3 4137 48.545 69.756 42.981 1.00 0.00 WT3 H ATOM 41295 H2 TIP3 4137 49.864 69.026 43.114 1.00 0.00 WT3 H ATOM 41296 OH2 TIP3 4138 24.116 61.978 66.465 1.00 0.00 WT3 O ATOM 41297 H1 TIP3 4138 24.479 61.104 66.318 1.00 0.00 WT3 H ATOM 41298 H2 TIP3 4138 24.866 62.506 66.739 1.00 0.00 WT3 H ATOM 41299 OH2 TIP3 4139 78.326 4.899 6.133 1.00 0.00 WT3 O ATOM 41300 H1 TIP3 4139 78.635 4.151 5.622 1.00 0.00 WT3 H ATOM 41301 H2 TIP3 4139 78.685 4.755 7.009 1.00 0.00 WT3 H ATOM 41302 OH2 TIP3 4141 36.718 52.088 -15.700 1.00 0.00 WT3 O ATOM 41303 H1 TIP3 4141 37.457 52.651 -15.473 1.00 0.00 WT3 H ATOM 41304 H2 TIP3 4141 36.021 52.353 -15.099 1.00 0.00 WT3 H ATOM 41305 OH2 TIP3 4142 45.017 85.252 13.727 1.00 0.00 WT3 O ATOM 41306 H1 TIP3 4142 44.371 85.598 13.112 1.00 0.00 WT3 H ATOM 41307 H2 TIP3 4142 45.166 84.352 13.439 1.00 0.00 WT3 H ATOM 41308 OH2 TIP3 4143 61.369 63.107 -3.685 1.00 0.00 WT3 O ATOM 41309 H1 TIP3 4143 60.846 63.740 -3.194 1.00 0.00 WT3 H ATOM 41310 H2 TIP3 4143 62.138 62.953 -3.135 1.00 0.00 WT3 H ATOM 41311 OH2 TIP3 4144 57.333 59.843 18.143 1.00 0.00 WT3 O ATOM 41312 H1 TIP3 4144 57.820 60.661 18.041 1.00 0.00 WT3 H ATOM 41313 H2 TIP3 4144 56.572 60.082 18.673 1.00 0.00 WT3 H ATOM 41314 OH2 TIP3 4145 31.746 94.962 28.833 1.00 0.00 WT3 O ATOM 41315 H1 TIP3 4145 31.807 95.856 29.168 1.00 0.00 WT3 H ATOM 41316 H2 TIP3 4145 31.020 94.572 29.321 1.00 0.00 WT3 H ATOM 41317 OH2 TIP3 4146 37.706 88.603 15.461 1.00 0.00 WT3 O ATOM 41318 H1 TIP3 4146 36.930 88.126 15.752 1.00 0.00 WT3 H ATOM 41319 H2 TIP3 4146 38.004 89.074 16.240 1.00 0.00 WT3 H ATOM 41320 OH2 TIP3 4151 20.775 82.228 38.390 1.00 0.00 WT3 O ATOM 41321 H1 TIP3 4151 21.611 82.081 37.948 1.00 0.00 WT3 H ATOM 41322 H2 TIP3 4151 20.127 81.809 37.823 1.00 0.00 WT3 H ATOM 41323 OH2 TIP3 4152 73.426 50.259 8.735 1.00 0.00 WT3 O ATOM 41324 H1 TIP3 4152 72.841 50.716 8.131 1.00 0.00 WT3 H ATOM 41325 H2 TIP3 4152 72.946 50.237 9.563 1.00 0.00 WT3 H ATOM 41326 OH2 TIP3 4154 72.336 86.339 25.382 1.00 0.00 WT3 O ATOM 41327 H1 TIP3 4154 71.914 85.675 24.835 1.00 0.00 WT3 H ATOM 41328 H2 TIP3 4154 73.273 86.170 25.283 1.00 0.00 WT3 H ATOM 41329 OH2 TIP3 4155 61.392 65.982 -16.821 1.00 0.00 WT3 O ATOM 41330 H1 TIP3 4155 60.733 65.701 -16.187 1.00 0.00 WT3 H ATOM 41331 H2 TIP3 4155 62.225 65.893 -16.358 1.00 0.00 WT3 H ATOM 41332 OH2 TIP3 4156 33.744 85.704 37.714 1.00 0.00 WT3 O ATOM 41333 H1 TIP3 4156 34.050 84.804 37.601 1.00 0.00 WT3 H ATOM 41334 H2 TIP3 4156 33.419 85.957 36.849 1.00 0.00 WT3 H ATOM 41335 OH2 TIP3 4157 68.328 34.620 -4.659 1.00 0.00 WT3 O ATOM 41336 H1 TIP3 4157 68.173 34.557 -3.716 1.00 0.00 WT3 H ATOM 41337 H2 TIP3 4157 68.334 35.560 -4.839 1.00 0.00 WT3 H ATOM 41338 OH2 TIP3 4160 20.907 9.853 62.686 1.00 0.00 WT3 O ATOM 41339 H1 TIP3 4160 20.557 9.561 61.844 1.00 0.00 WT3 H ATOM 41340 H2 TIP3 4160 21.798 9.504 62.709 1.00 0.00 WT3 H ATOM 41341 OH2 TIP3 4161 85.568 56.831 46.106 1.00 0.00 WT3 O ATOM 41342 H1 TIP3 4161 85.640 57.584 45.520 1.00 0.00 WT3 H ATOM 41343 H2 TIP3 4161 86.315 56.915 46.699 1.00 0.00 WT3 H ATOM 41344 OH2 TIP3 4162 20.990 3.905 4.824 1.00 0.00 WT3 O ATOM 41345 H1 TIP3 4162 20.467 4.706 4.858 1.00 0.00 WT3 H ATOM 41346 H2 TIP3 4162 21.183 3.705 5.740 1.00 0.00 WT3 H ATOM 41347 OH2 TIP3 4163 77.683 -0.196 57.095 1.00 0.00 WT3 O ATOM 41348 H1 TIP3 4163 78.229 0.129 57.811 1.00 0.00 WT3 H ATOM 41349 H2 TIP3 4163 77.855 0.405 56.370 1.00 0.00 WT3 H ATOM 41350 OH2 TIP3 4164 85.020 73.419 -0.974 1.00 0.00 WT3 O ATOM 41351 H1 TIP3 4164 85.507 72.745 -1.448 1.00 0.00 WT3 H ATOM 41352 H2 TIP3 4164 84.101 73.224 -1.155 1.00 0.00 WT3 H ATOM 41353 OH2 TIP3 4165 66.338 16.175 60.305 1.00 0.00 WT3 O ATOM 41354 H1 TIP3 4165 66.498 17.104 60.470 1.00 0.00 WT3 H ATOM 41355 H2 TIP3 4165 66.925 15.955 59.582 1.00 0.00 WT3 H ATOM 41356 OH2 TIP3 4166 87.628 18.883 -6.788 1.00 0.00 WT3 O ATOM 41357 H1 TIP3 4166 88.172 18.762 -6.010 1.00 0.00 WT3 H ATOM 41358 H2 TIP3 4166 86.734 18.933 -6.450 1.00 0.00 WT3 H ATOM 41359 OH2 TIP3 4173 88.171 69.082 46.062 1.00 0.00 WT3 O ATOM 41360 H1 TIP3 4173 88.065 69.598 45.263 1.00 0.00 WT3 H ATOM 41361 H2 TIP3 4173 88.682 68.320 45.790 1.00 0.00 WT3 H ATOM 41362 OH2 TIP3 4174 82.895 29.407 6.501 1.00 0.00 WT3 O ATOM 41363 H1 TIP3 4174 83.765 29.644 6.179 1.00 0.00 WT3 H ATOM 41364 H2 TIP3 4174 82.323 30.106 6.183 1.00 0.00 WT3 H ATOM 41365 OH2 TIP3 4175 70.975 58.149 1.758 1.00 0.00 WT3 O ATOM 41366 H1 TIP3 4175 70.656 58.683 2.485 1.00 0.00 WT3 H ATOM 41367 H2 TIP3 4175 71.119 57.283 2.140 1.00 0.00 WT3 H ATOM 41368 OH2 TIP3 4176 52.766 27.708 32.544 1.00 0.00 WT3 O ATOM 41369 H1 TIP3 4176 52.347 27.825 33.397 1.00 0.00 WT3 H ATOM 41370 H2 TIP3 4176 53.640 27.376 32.749 1.00 0.00 WT3 H ATOM 41371 OH2 TIP3 4177 37.806 2.350 0.663 1.00 0.00 WT3 O ATOM 41372 H1 TIP3 4177 38.265 1.564 0.960 1.00 0.00 WT3 H ATOM 41373 H2 TIP3 4177 36.899 2.069 0.547 1.00 0.00 WT3 H ATOM 41374 OH2 TIP3 4179 53.453 20.238 3.312 1.00 0.00 WT3 O ATOM 41375 H1 TIP3 4179 53.050 20.763 4.003 1.00 0.00 WT3 H ATOM 41376 H2 TIP3 4179 52.772 20.156 2.644 1.00 0.00 WT3 H ATOM 41377 OH2 TIP3 4184 47.942 77.145 27.556 1.00 0.00 WT3 O ATOM 41378 H1 TIP3 4184 48.742 76.665 27.340 1.00 0.00 WT3 H ATOM 41379 H2 TIP3 4184 47.430 76.532 28.084 1.00 0.00 WT3 H ATOM 41380 OH2 TIP3 4185 74.293 0.661 29.221 1.00 0.00 WT3 O ATOM 41381 H1 TIP3 4185 74.134 0.969 28.329 1.00 0.00 WT3 H ATOM 41382 H2 TIP3 4185 73.419 0.504 29.579 1.00 0.00 WT3 H ATOM 41383 OH2 TIP3 4186 50.363 71.870 30.736 1.00 0.00 WT3 O ATOM 41384 H1 TIP3 4186 49.960 71.664 31.579 1.00 0.00 WT3 H ATOM 41385 H2 TIP3 4186 50.341 71.044 30.252 1.00 0.00 WT3 H ATOM 41386 OH2 TIP3 4191 65.919 83.111 57.938 1.00 0.00 WT3 O ATOM 41387 H1 TIP3 4191 65.304 83.557 58.520 1.00 0.00 WT3 H ATOM 41388 H2 TIP3 4191 65.522 83.179 57.070 1.00 0.00 WT3 H ATOM 41389 OH2 TIP3 4196 38.242 54.881 27.979 1.00 0.00 WT3 O ATOM 41390 H1 TIP3 4196 38.304 54.317 27.208 1.00 0.00 WT3 H ATOM 41391 H2 TIP3 4196 39.148 54.995 28.266 1.00 0.00 WT3 H ATOM 41392 OH2 TIP3 4197 51.796 17.489 45.621 1.00 0.00 WT3 O ATOM 41393 H1 TIP3 4197 52.419 17.523 46.346 1.00 0.00 WT3 H ATOM 41394 H2 TIP3 4197 52.235 16.964 44.951 1.00 0.00 WT3 H ATOM 41395 OH2 TIP3 4201 56.865 13.053 32.920 1.00 0.00 WT3 O ATOM 41396 H1 TIP3 4201 57.091 13.245 33.830 1.00 0.00 WT3 H ATOM 41397 H2 TIP3 4201 55.987 12.675 32.966 1.00 0.00 WT3 H ATOM 41398 OH2 TIP3 4202 55.387 50.578 52.035 1.00 0.00 WT3 O ATOM 41399 H1 TIP3 4202 56.149 50.104 52.366 1.00 0.00 WT3 H ATOM 41400 H2 TIP3 4202 55.447 50.495 51.083 1.00 0.00 WT3 H ATOM 41401 OH2 TIP3 4203 51.103 81.232 -5.279 1.00 0.00 WT3 O ATOM 41402 H1 TIP3 4203 51.304 80.397 -4.857 1.00 0.00 WT3 H ATOM 41403 H2 TIP3 4203 51.950 81.555 -5.587 1.00 0.00 WT3 H ATOM 41404 OH2 TIP3 4204 57.908 4.771 35.480 1.00 0.00 WT3 O ATOM 41405 H1 TIP3 4204 58.036 3.822 35.458 1.00 0.00 WT3 H ATOM 41406 H2 TIP3 4204 58.545 5.085 36.121 1.00 0.00 WT3 H ATOM 41407 OH2 TIP3 4216 72.950 56.929 66.595 1.00 0.00 WT3 O ATOM 41408 H1 TIP3 4216 72.356 56.555 67.246 1.00 0.00 WT3 H ATOM 41409 H2 TIP3 4216 73.796 56.522 66.781 1.00 0.00 WT3 H ATOM 41410 OH2 TIP3 4221 79.640 57.161 1.966 1.00 0.00 WT3 O ATOM 41411 H1 TIP3 4221 79.240 57.357 2.813 1.00 0.00 WT3 H ATOM 41412 H2 TIP3 4221 79.312 56.290 1.742 1.00 0.00 WT3 H ATOM 41413 OH2 TIP3 4223 65.974 1.497 23.405 1.00 0.00 WT3 O ATOM 41414 H1 TIP3 4223 66.502 1.609 24.195 1.00 0.00 WT3 H ATOM 41415 H2 TIP3 4223 66.201 0.623 23.086 1.00 0.00 WT3 H ATOM 41416 OH2 TIP3 4230 86.407 81.137 22.439 1.00 0.00 WT3 O ATOM 41417 H1 TIP3 4230 86.003 81.467 23.242 1.00 0.00 WT3 H ATOM 41418 H2 TIP3 4230 86.588 81.922 21.922 1.00 0.00 WT3 H ATOM 41419 OH2 TIP3 4237 65.195 47.878 65.691 1.00 0.00 WT3 O ATOM 41420 H1 TIP3 4237 65.855 48.224 65.091 1.00 0.00 WT3 H ATOM 41421 H2 TIP3 4237 65.026 48.595 66.302 1.00 0.00 WT3 H ATOM 41422 OH2 TIP3 4239 33.401 75.429 9.987 1.00 0.00 WT3 O ATOM 41423 H1 TIP3 4239 33.057 76.130 10.540 1.00 0.00 WT3 H ATOM 41424 H2 TIP3 4239 33.924 74.890 10.580 1.00 0.00 WT3 H ATOM 41425 OH2 TIP3 4240 54.953 9.535 39.152 1.00 0.00 WT3 O ATOM 41426 H1 TIP3 4240 55.477 10.075 39.744 1.00 0.00 WT3 H ATOM 41427 H2 TIP3 4240 54.892 10.050 38.347 1.00 0.00 WT3 H ATOM 41428 OH2 TIP3 4243 22.189 11.211 3.823 1.00 0.00 WT3 O ATOM 41429 H1 TIP3 4243 23.128 11.390 3.875 1.00 0.00 WT3 H ATOM 41430 H2 TIP3 4243 21.802 11.759 4.506 1.00 0.00 WT3 H ATOM 41431 OH2 TIP3 4278 50.590 23.386 -14.967 1.00 0.00 WT3 O ATOM 41432 H1 TIP3 4278 50.811 22.996 -14.121 1.00 0.00 WT3 H ATOM 41433 H2 TIP3 4278 49.720 23.042 -15.170 1.00 0.00 WT3 H ATOM 41434 OH2 TIP3 4319 64.807 91.158 36.898 1.00 0.00 WT3 O ATOM 41435 H1 TIP3 4319 65.314 91.955 37.055 1.00 0.00 WT3 H ATOM 41436 H2 TIP3 4319 63.920 91.470 36.718 1.00 0.00 WT3 H ATOM 41437 OH2 TIP3 4323 84.872 33.785 -10.894 1.00 0.00 WT3 O ATOM 41438 H1 TIP3 4323 84.139 34.126 -11.407 1.00 0.00 WT3 H ATOM 41439 H2 TIP3 4323 84.462 33.239 -10.223 1.00 0.00 WT3 H ATOM 41440 OH2 TIP3 4356 80.349 40.904 1.565 1.00 0.00 WT3 O ATOM 41441 H1 TIP3 4356 81.078 40.342 1.828 1.00 0.00 WT3 H ATOM 41442 H2 TIP3 4356 80.090 41.351 2.371 1.00 0.00 WT3 H ATOM 41443 OH2 TIP3 4374 82.930 96.539 10.015 1.00 0.00 WT3 O ATOM 41444 H1 TIP3 4374 83.200 95.661 9.744 1.00 0.00 WT3 H ATOM 41445 H2 TIP3 4374 83.080 97.085 9.243 1.00 0.00 WT3 H ATOM 41446 OH2 TIP3 4382 86.132 91.081 32.029 1.00 0.00 WT3 O ATOM 41447 H1 TIP3 4382 86.240 91.228 31.090 1.00 0.00 WT3 H ATOM 41448 H2 TIP3 4382 87.011 91.186 32.392 1.00 0.00 WT3 H ATOM 41449 OH2 TIP3 4394 55.423 95.761 8.822 1.00 0.00 WT3 O ATOM 41450 H1 TIP3 4394 55.267 96.588 8.367 1.00 0.00 WT3 H ATOM 41451 H2 TIP3 4394 56.363 95.760 9.003 1.00 0.00 WT3 H ATOM 41452 OH2 TIP3 4401 20.478 87.942 66.504 1.00 0.00 WT3 O ATOM 41453 H1 TIP3 4401 20.426 88.602 67.196 1.00 0.00 WT3 H ATOM 41454 H2 TIP3 4401 19.760 87.339 66.694 1.00 0.00 WT3 H ATOM 41455 OH2 TIP3 4404 25.268 56.236 -18.385 1.00 0.00 WT3 O ATOM 41456 H1 TIP3 4404 24.786 55.756 -17.712 1.00 0.00 WT3 H ATOM 41457 H2 TIP3 4404 25.035 55.799 -19.205 1.00 0.00 WT3 H ATOM 41458 OH2 TIP3 4407 30.784 13.021 31.184 1.00 0.00 WT3 O ATOM 41459 H1 TIP3 4407 31.221 12.188 31.359 1.00 0.00 WT3 H ATOM 41460 H2 TIP3 4407 31.184 13.636 31.800 1.00 0.00 WT3 H ATOM 41461 OH2 TIP3 4409 78.033 33.607 56.415 1.00 0.00 WT3 O ATOM 41462 H1 TIP3 4409 77.182 33.914 56.727 1.00 0.00 WT3 H ATOM 41463 H2 TIP3 4409 78.020 33.781 55.473 1.00 0.00 WT3 H ATOM 41464 OH2 TIP3 4412 26.926 85.757 32.876 1.00 0.00 WT3 O ATOM 41465 H1 TIP3 4412 26.581 84.988 33.330 1.00 0.00 WT3 H ATOM 41466 H2 TIP3 4412 27.835 85.820 33.168 1.00 0.00 WT3 H ATOM 41467 OH2 TIP3 4414 51.434 68.880 5.113 1.00 0.00 WT3 O ATOM 41468 H1 TIP3 4414 51.272 68.947 6.054 1.00 0.00 WT3 H ATOM 41469 H2 TIP3 4414 51.572 67.945 4.959 1.00 0.00 WT3 H ATOM 41470 OH2 TIP3 4415 63.162 27.022 3.064 1.00 0.00 WT3 O ATOM 41471 H1 TIP3 4415 63.474 27.616 3.747 1.00 0.00 WT3 H ATOM 41472 H2 TIP3 4415 63.958 26.637 2.698 1.00 0.00 WT3 H ATOM 41473 OH2 TIP3 4417 55.339 44.419 35.121 1.00 0.00 WT3 O ATOM 41474 H1 TIP3 4417 54.901 43.580 35.261 1.00 0.00 WT3 H ATOM 41475 H2 TIP3 4417 55.799 44.313 34.288 1.00 0.00 WT3 H ATOM 41476 OH2 TIP3 4419 45.679 4.359 40.478 1.00 0.00 WT3 O ATOM 41477 H1 TIP3 4419 46.550 4.070 40.207 1.00 0.00 WT3 H ATOM 41478 H2 TIP3 4419 45.839 4.940 41.222 1.00 0.00 WT3 H ATOM 41479 OH2 TIP3 4427 37.821 75.478 7.574 1.00 0.00 WT3 O ATOM 41480 H1 TIP3 4427 38.265 75.071 6.829 1.00 0.00 WT3 H ATOM 41481 H2 TIP3 4427 37.990 74.885 8.306 1.00 0.00 WT3 H ATOM 41482 OH2 TIP3 4432 88.357 64.375 32.664 1.00 0.00 WT3 O ATOM 41483 H1 TIP3 4432 87.615 63.916 32.270 1.00 0.00 WT3 H ATOM 41484 H2 TIP3 4432 88.919 64.602 31.924 1.00 0.00 WT3 H ATOM 41485 OH2 TIP3 4433 45.825 89.116 60.051 1.00 0.00 WT3 O ATOM 41486 H1 TIP3 4433 45.225 89.846 60.202 1.00 0.00 WT3 H ATOM 41487 H2 TIP3 4433 45.678 88.528 60.791 1.00 0.00 WT3 H ATOM 41488 OH2 TIP3 4434 34.078 39.837 11.462 1.00 0.00 WT3 O ATOM 41489 H1 TIP3 4434 33.170 39.787 11.162 1.00 0.00 WT3 H ATOM 41490 H2 TIP3 4434 34.293 40.769 11.421 1.00 0.00 WT3 H ATOM 41491 OH2 TIP3 4436 82.687 17.749 43.093 1.00 0.00 WT3 O ATOM 41492 H1 TIP3 4436 82.922 18.663 43.257 1.00 0.00 WT3 H ATOM 41493 H2 TIP3 4436 83.055 17.558 42.230 1.00 0.00 WT3 H ATOM 41494 OH2 TIP3 4437 73.802 78.223 53.210 1.00 0.00 WT3 O ATOM 41495 H1 TIP3 4437 73.607 78.378 52.286 1.00 0.00 WT3 H ATOM 41496 H2 TIP3 4437 73.439 77.356 53.390 1.00 0.00 WT3 H ATOM 41497 OH2 TIP3 4438 55.778 46.927 -10.085 1.00 0.00 WT3 O ATOM 41498 H1 TIP3 4438 55.319 47.767 -10.098 1.00 0.00 WT3 H ATOM 41499 H2 TIP3 4438 55.451 46.488 -9.300 1.00 0.00 WT3 H ATOM 41500 OH2 TIP3 4446 28.066 71.047 39.145 1.00 0.00 WT3 O ATOM 41501 H1 TIP3 4446 28.988 70.950 39.383 1.00 0.00 WT3 H ATOM 41502 H2 TIP3 4446 28.036 70.840 38.211 1.00 0.00 WT3 H ATOM 41503 OH2 TIP3 4449 53.089 92.522 20.362 1.00 0.00 WT3 O ATOM 41504 H1 TIP3 4449 52.297 91.985 20.329 1.00 0.00 WT3 H ATOM 41505 H2 TIP3 4449 53.108 92.866 21.254 1.00 0.00 WT3 H ATOM 41506 OH2 TIP3 4451 33.856 70.992 64.168 1.00 0.00 WT3 O ATOM 41507 H1 TIP3 4451 34.193 70.452 64.883 1.00 0.00 WT3 H ATOM 41508 H2 TIP3 4451 32.918 71.066 64.344 1.00 0.00 WT3 H ATOM 41509 OH2 TIP3 4453 56.084 81.252 42.763 1.00 0.00 WT3 O ATOM 41510 H1 TIP3 4453 55.822 80.778 41.974 1.00 0.00 WT3 H ATOM 41511 H2 TIP3 4453 56.819 80.748 43.113 1.00 0.00 WT3 H ATOM 41512 OH2 TIP3 4455 66.008 48.022 -4.118 1.00 0.00 WT3 O ATOM 41513 H1 TIP3 4455 65.691 48.290 -3.256 1.00 0.00 WT3 H ATOM 41514 H2 TIP3 4455 66.789 48.557 -4.264 1.00 0.00 WT3 H ATOM 41515 OH2 TIP3 4457 26.322 52.001 56.787 1.00 0.00 WT3 O ATOM 41516 H1 TIP3 4457 27.091 52.142 57.340 1.00 0.00 WT3 H ATOM 41517 H2 TIP3 4457 26.170 52.848 56.367 1.00 0.00 WT3 H ATOM 41518 OH2 TIP3 4460 87.258 96.512 3.366 1.00 0.00 WT3 O ATOM 41519 H1 TIP3 4460 87.228 96.001 4.175 1.00 0.00 WT3 H ATOM 41520 H2 TIP3 4460 87.786 97.279 3.585 1.00 0.00 WT3 H ATOM 41521 OH2 TIP3 4464 81.640 76.282 19.068 1.00 0.00 WT3 O ATOM 41522 H1 TIP3 4464 80.809 76.029 18.667 1.00 0.00 WT3 H ATOM 41523 H2 TIP3 4464 81.414 76.503 19.972 1.00 0.00 WT3 H ATOM 41524 OH2 TIP3 4467 28.269 85.613 26.480 1.00 0.00 WT3 O ATOM 41525 H1 TIP3 4467 28.676 86.018 27.246 1.00 0.00 WT3 H ATOM 41526 H2 TIP3 4467 28.789 84.825 26.322 1.00 0.00 WT3 H ATOM 41527 OH2 TIP3 4468 36.001 68.568 0.578 1.00 0.00 WT3 O ATOM 41528 H1 TIP3 4468 35.215 68.701 1.107 1.00 0.00 WT3 H ATOM 41529 H2 TIP3 4468 36.633 68.175 1.181 1.00 0.00 WT3 H ATOM 41530 OH2 TIP3 4470 29.923 85.977 36.701 1.00 0.00 WT3 O ATOM 41531 H1 TIP3 4470 30.817 85.967 36.359 1.00 0.00 WT3 H ATOM 41532 H2 TIP3 4470 29.418 86.448 36.039 1.00 0.00 WT3 H ATOM 41533 OH2 TIP3 4472 83.746 36.565 41.132 1.00 0.00 WT3 O ATOM 41534 H1 TIP3 4472 84.696 36.621 41.036 1.00 0.00 WT3 H ATOM 41535 H2 TIP3 4472 83.443 36.192 40.304 1.00 0.00 WT3 H ATOM 41536 OH2 TIP3 4473 60.291 49.190 -1.057 1.00 0.00 WT3 O ATOM 41537 H1 TIP3 4473 60.790 48.743 -0.374 1.00 0.00 WT3 H ATOM 41538 H2 TIP3 4473 59.685 49.757 -0.580 1.00 0.00 WT3 H ATOM 41539 OH2 TIP3 4475 48.965 52.540 51.248 1.00 0.00 WT3 O ATOM 41540 H1 TIP3 4475 48.474 52.746 52.043 1.00 0.00 WT3 H ATOM 41541 H2 TIP3 4475 48.508 53.013 50.553 1.00 0.00 WT3 H ATOM 41542 OH2 TIP3 4476 20.019 51.295 -7.724 1.00 0.00 WT3 O ATOM 41543 H1 TIP3 4476 20.206 52.126 -7.288 1.00 0.00 WT3 H ATOM 41544 H2 TIP3 4476 20.875 50.880 -7.828 1.00 0.00 WT3 H ATOM 41545 OH2 TIP3 4477 45.191 28.360 57.343 1.00 0.00 WT3 O ATOM 41546 H1 TIP3 4477 45.417 28.854 56.555 1.00 0.00 WT3 H ATOM 41547 H2 TIP3 4477 44.257 28.529 57.472 1.00 0.00 WT3 H ATOM 41548 OH2 TIP3 4478 65.753 31.107 4.363 1.00 0.00 WT3 O ATOM 41549 H1 TIP3 4478 65.232 31.680 3.800 1.00 0.00 WT3 H ATOM 41550 H2 TIP3 4478 65.694 31.506 5.231 1.00 0.00 WT3 H ATOM 41551 OH2 TIP3 4479 75.761 18.221 47.756 1.00 0.00 WT3 O ATOM 41552 H1 TIP3 4479 75.059 18.793 48.067 1.00 0.00 WT3 H ATOM 41553 H2 TIP3 4479 76.351 18.804 47.278 1.00 0.00 WT3 H ATOM 41554 OH2 TIP3 4480 27.799 34.433 -1.895 1.00 0.00 WT3 O ATOM 41555 H1 TIP3 4480 27.581 34.467 -2.827 1.00 0.00 WT3 H ATOM 41556 H2 TIP3 4480 28.322 33.637 -1.799 1.00 0.00 WT3 H ATOM 41557 OH2 TIP3 4483 89.195 26.083 -11.196 1.00 0.00 WT3 O ATOM 41558 H1 TIP3 4483 88.389 26.510 -10.908 1.00 0.00 WT3 H ATOM 41559 H2 TIP3 4483 89.687 25.930 -10.389 1.00 0.00 WT3 H ATOM 41560 OH2 TIP3 4484 43.040 9.962 6.993 1.00 0.00 WT3 O ATOM 41561 H1 TIP3 4484 42.083 9.997 6.994 1.00 0.00 WT3 H ATOM 41562 H2 TIP3 4484 43.246 9.027 7.000 1.00 0.00 WT3 H ATOM 41563 OH2 TIP3 4485 41.855 30.244 8.481 1.00 0.00 WT3 O ATOM 41564 H1 TIP3 4485 41.866 30.984 9.088 1.00 0.00 WT3 H ATOM 41565 H2 TIP3 4485 41.578 29.499 9.015 1.00 0.00 WT3 H ATOM 41566 OH2 TIP3 4489 64.227 62.969 65.894 1.00 0.00 WT3 O ATOM 41567 H1 TIP3 4489 64.420 62.804 64.971 1.00 0.00 WT3 H ATOM 41568 H2 TIP3 4489 63.481 63.568 65.880 1.00 0.00 WT3 H ATOM 41569 OH2 TIP3 4493 73.738 75.246 66.968 1.00 0.00 WT3 O ATOM 41570 H1 TIP3 4493 73.556 76.089 66.554 1.00 0.00 WT3 H ATOM 41571 H2 TIP3 4493 73.672 74.610 66.256 1.00 0.00 WT3 H ATOM 41572 OH2 TIP3 4494 69.547 2.826 29.775 1.00 0.00 WT3 O ATOM 41573 H1 TIP3 4494 70.441 2.672 29.469 1.00 0.00 WT3 H ATOM 41574 H2 TIP3 4494 69.560 3.721 30.112 1.00 0.00 WT3 H ATOM 41575 OH2 TIP3 4495 41.758 11.271 33.218 1.00 0.00 WT3 O ATOM 41576 H1 TIP3 4495 40.823 11.363 33.031 1.00 0.00 WT3 H ATOM 41577 H2 TIP3 4495 42.194 11.671 32.466 1.00 0.00 WT3 H ATOM 41578 OH2 TIP3 4496 25.736 36.315 51.207 1.00 0.00 WT3 O ATOM 41579 H1 TIP3 4496 26.343 36.360 50.468 1.00 0.00 WT3 H ATOM 41580 H2 TIP3 4496 26.039 36.997 51.807 1.00 0.00 WT3 H ATOM 41581 OH2 TIP3 4498 71.493 82.184 42.820 1.00 0.00 WT3 O ATOM 41582 H1 TIP3 4498 72.174 82.789 43.112 1.00 0.00 WT3 H ATOM 41583 H2 TIP3 4498 71.937 81.339 42.746 1.00 0.00 WT3 H ATOM 41584 OH2 TIP3 4499 24.208 86.886 44.999 1.00 0.00 WT3 O ATOM 41585 H1 TIP3 4499 24.668 86.202 44.512 1.00 0.00 WT3 H ATOM 41586 H2 TIP3 4499 24.822 87.619 45.023 1.00 0.00 WT3 H ATOM 41587 OH2 TIP3 4500 28.952 83.603 12.896 1.00 0.00 WT3 O ATOM 41588 H1 TIP3 4500 29.805 83.207 13.073 1.00 0.00 WT3 H ATOM 41589 H2 TIP3 4500 29.028 83.948 12.006 1.00 0.00 WT3 H ATOM 41590 OH2 TIP3 4501 76.794 24.818 7.858 1.00 0.00 WT3 O ATOM 41591 H1 TIP3 4501 77.698 24.687 8.146 1.00 0.00 WT3 H ATOM 41592 H2 TIP3 4501 76.505 23.951 7.572 1.00 0.00 WT3 H ATOM 41593 OH2 TIP3 4503 35.383 72.243 -4.007 1.00 0.00 WT3 O ATOM 41594 H1 TIP3 4503 35.728 71.813 -3.225 1.00 0.00 WT3 H ATOM 41595 H2 TIP3 4503 35.403 73.177 -3.796 1.00 0.00 WT3 H ATOM 41596 OH2 TIP3 4506 63.922 29.416 13.660 1.00 0.00 WT3 O ATOM 41597 H1 TIP3 4506 63.592 30.314 13.696 1.00 0.00 WT3 H ATOM 41598 H2 TIP3 4506 63.157 28.888 13.430 1.00 0.00 WT3 H ATOM 41599 OH2 TIP3 4508 48.084 79.400 48.258 1.00 0.00 WT3 O ATOM 41600 H1 TIP3 4508 48.018 79.122 47.345 1.00 0.00 WT3 H ATOM 41601 H2 TIP3 4508 47.820 78.631 48.763 1.00 0.00 WT3 H ATOM 41602 OH2 TIP3 4510 24.557 70.026 25.343 1.00 0.00 WT3 O ATOM 41603 H1 TIP3 4510 25.274 69.664 25.863 1.00 0.00 WT3 H ATOM 41604 H2 TIP3 4510 24.990 70.514 24.642 1.00 0.00 WT3 H ATOM 41605 OH2 TIP3 4511 34.072 1.720 13.653 1.00 0.00 WT3 O ATOM 41606 H1 TIP3 4511 34.774 2.328 13.421 1.00 0.00 WT3 H ATOM 41607 H2 TIP3 4511 33.643 1.519 12.821 1.00 0.00 WT3 H ATOM 41608 OH2 TIP3 4513 68.818 62.366 58.997 1.00 0.00 WT3 O ATOM 41609 H1 TIP3 4513 69.224 63.077 58.501 1.00 0.00 WT3 H ATOM 41610 H2 TIP3 4513 68.661 62.738 59.865 1.00 0.00 WT3 H ATOM 41611 OH2 TIP3 4515 85.169 77.761 61.036 1.00 0.00 WT3 O ATOM 41612 H1 TIP3 4515 84.665 78.195 61.725 1.00 0.00 WT3 H ATOM 41613 H2 TIP3 4515 86.071 78.046 61.184 1.00 0.00 WT3 H ATOM 41614 OH2 TIP3 4516 47.160 84.108 65.710 1.00 0.00 WT3 O ATOM 41615 H1 TIP3 4516 47.211 83.689 66.569 1.00 0.00 WT3 H ATOM 41616 H2 TIP3 4516 47.065 83.381 65.094 1.00 0.00 WT3 H ATOM 41617 OH2 TIP3 4517 75.485 75.233 14.087 1.00 0.00 WT3 O ATOM 41618 H1 TIP3 4517 74.577 75.296 14.385 1.00 0.00 WT3 H ATOM 41619 H2 TIP3 4517 75.875 74.563 14.648 1.00 0.00 WT3 H ATOM 41620 OH2 TIP3 4518 53.178 18.112 -13.111 1.00 0.00 WT3 O ATOM 41621 H1 TIP3 4518 52.701 18.361 -12.320 1.00 0.00 WT3 H ATOM 41622 H2 TIP3 4518 54.089 18.340 -12.925 1.00 0.00 WT3 H ATOM 41623 OH2 TIP3 4519 82.188 27.055 45.276 1.00 0.00 WT3 O ATOM 41624 H1 TIP3 4519 82.754 27.812 45.126 1.00 0.00 WT3 H ATOM 41625 H2 TIP3 4519 81.739 26.921 44.442 1.00 0.00 WT3 H ATOM 41626 OH2 TIP3 4520 64.320 85.362 6.093 1.00 0.00 WT3 O ATOM 41627 H1 TIP3 4520 63.662 84.687 5.928 1.00 0.00 WT3 H ATOM 41628 H2 TIP3 4520 64.696 85.547 5.233 1.00 0.00 WT3 H ATOM 41629 OH2 TIP3 4523 79.628 48.214 16.131 1.00 0.00 WT3 O ATOM 41630 H1 TIP3 4523 79.202 47.487 16.586 1.00 0.00 WT3 H ATOM 41631 H2 TIP3 4523 79.249 48.999 16.526 1.00 0.00 WT3 H ATOM 41632 OH2 TIP3 4524 63.177 46.499 50.400 1.00 0.00 WT3 O ATOM 41633 H1 TIP3 4524 63.128 45.979 49.598 1.00 0.00 WT3 H ATOM 41634 H2 TIP3 4524 63.566 47.329 50.125 1.00 0.00 WT3 H ATOM 41635 OH2 TIP3 4526 78.584 71.662 45.884 1.00 0.00 WT3 O ATOM 41636 H1 TIP3 4526 79.470 71.725 46.240 1.00 0.00 WT3 H ATOM 41637 H2 TIP3 4526 78.533 72.370 45.241 1.00 0.00 WT3 H ATOM 41638 OH2 TIP3 4528 61.224 59.292 -6.700 1.00 0.00 WT3 O ATOM 41639 H1 TIP3 4528 61.623 58.752 -6.018 1.00 0.00 WT3 H ATOM 41640 H2 TIP3 4528 60.809 58.664 -7.292 1.00 0.00 WT3 H ATOM 41641 OH2 TIP3 4530 70.455 62.113 15.121 1.00 0.00 WT3 O ATOM 41642 H1 TIP3 4530 70.909 61.499 14.544 1.00 0.00 WT3 H ATOM 41643 H2 TIP3 4530 70.058 62.751 14.528 1.00 0.00 WT3 H ATOM 41644 OH2 TIP3 4532 74.005 66.971 10.568 1.00 0.00 WT3 O ATOM 41645 H1 TIP3 4532 74.041 66.027 10.725 1.00 0.00 WT3 H ATOM 41646 H2 TIP3 4532 73.340 67.075 9.887 1.00 0.00 WT3 H ATOM 41647 OH2 TIP3 4533 51.504 68.911 24.557 1.00 0.00 WT3 O ATOM 41648 H1 TIP3 4533 51.448 68.824 23.606 1.00 0.00 WT3 H ATOM 41649 H2 TIP3 4533 50.616 68.734 24.867 1.00 0.00 WT3 H ATOM 41650 OH2 TIP3 4534 90.509 69.407 54.880 1.00 0.00 WT3 O ATOM 41651 H1 TIP3 4534 90.839 68.826 55.565 1.00 0.00 WT3 H ATOM 41652 H2 TIP3 4534 89.857 68.883 54.415 1.00 0.00 WT3 H ATOM 41653 OH2 TIP3 4535 66.448 19.572 -8.407 1.00 0.00 WT3 O ATOM 41654 H1 TIP3 4535 66.732 20.483 -8.337 1.00 0.00 WT3 H ATOM 41655 H2 TIP3 4535 67.026 19.190 -9.067 1.00 0.00 WT3 H ATOM 41656 OH2 TIP3 4536 51.370 69.018 0.093 1.00 0.00 WT3 O ATOM 41657 H1 TIP3 4536 50.585 68.550 0.378 1.00 0.00 WT3 H ATOM 41658 H2 TIP3 4536 52.060 68.709 0.680 1.00 0.00 WT3 H ATOM 41659 OH2 TIP3 4537 70.270 70.247 10.640 1.00 0.00 WT3 O ATOM 41660 H1 TIP3 4537 69.472 69.841 10.980 1.00 0.00 WT3 H ATOM 41661 H2 TIP3 4537 69.957 70.954 10.075 1.00 0.00 WT3 H ATOM 41662 OH2 TIP3 4538 29.886 17.730 -14.493 1.00 0.00 WT3 O ATOM 41663 H1 TIP3 4538 29.739 17.269 -13.667 1.00 0.00 WT3 H ATOM 41664 H2 TIP3 4538 30.838 17.760 -14.585 1.00 0.00 WT3 H ATOM 41665 OH2 TIP3 4539 63.052 2.748 40.647 1.00 0.00 WT3 O ATOM 41666 H1 TIP3 4539 62.156 2.425 40.743 1.00 0.00 WT3 H ATOM 41667 H2 TIP3 4539 63.099 3.059 39.743 1.00 0.00 WT3 H ATOM 41668 OH2 TIP3 4541 53.295 94.113 45.347 1.00 0.00 WT3 O ATOM 41669 H1 TIP3 4541 53.806 94.922 45.363 1.00 0.00 WT3 H ATOM 41670 H2 TIP3 4541 52.543 94.315 44.790 1.00 0.00 WT3 H ATOM 41671 OH2 TIP3 4542 56.229 52.691 -5.482 1.00 0.00 WT3 O ATOM 41672 H1 TIP3 4542 56.451 52.402 -4.597 1.00 0.00 WT3 H ATOM 41673 H2 TIP3 4542 55.315 52.432 -5.597 1.00 0.00 WT3 H ATOM 41674 OH2 TIP3 4543 43.289 95.455 20.092 1.00 0.00 WT3 O ATOM 41675 H1 TIP3 4543 44.077 94.917 20.011 1.00 0.00 WT3 H ATOM 41676 H2 TIP3 4543 42.573 94.824 20.165 1.00 0.00 WT3 H ATOM 41677 OH2 TIP3 4544 31.532 53.784 -11.445 1.00 0.00 WT3 O ATOM 41678 H1 TIP3 4544 31.448 53.312 -12.274 1.00 0.00 WT3 H ATOM 41679 H2 TIP3 4544 32.163 54.480 -11.628 1.00 0.00 WT3 H ATOM 41680 OH2 TIP3 4546 78.795 86.764 54.567 1.00 0.00 WT3 O ATOM 41681 H1 TIP3 4546 79.111 87.362 53.889 1.00 0.00 WT3 H ATOM 41682 H2 TIP3 4546 78.016 86.360 54.185 1.00 0.00 WT3 H ATOM 41683 OH2 TIP3 4547 42.640 68.338 0.326 1.00 0.00 WT3 O ATOM 41684 H1 TIP3 4547 42.446 67.651 0.964 1.00 0.00 WT3 H ATOM 41685 H2 TIP3 4547 43.487 68.090 -0.043 1.00 0.00 WT3 H ATOM 41686 OH2 TIP3 4548 69.519 9.003 5.097 1.00 0.00 WT3 O ATOM 41687 H1 TIP3 4548 69.139 9.878 5.021 1.00 0.00 WT3 H ATOM 41688 H2 TIP3 4548 70.345 9.139 5.561 1.00 0.00 WT3 H ATOM 41689 OH2 TIP3 4549 80.869 52.203 33.726 1.00 0.00 WT3 O ATOM 41690 H1 TIP3 4549 81.469 52.944 33.644 1.00 0.00 WT3 H ATOM 41691 H2 TIP3 4549 80.004 52.574 33.553 1.00 0.00 WT3 H ATOM 41692 OH2 TIP3 4552 83.471 91.438 32.237 1.00 0.00 WT3 O ATOM 41693 H1 TIP3 4552 83.040 91.120 31.443 1.00 0.00 WT3 H ATOM 41694 H2 TIP3 4552 84.390 91.195 32.125 1.00 0.00 WT3 H ATOM 41695 OH2 TIP3 4553 35.767 66.440 34.993 1.00 0.00 WT3 O ATOM 41696 H1 TIP3 4553 35.479 67.300 34.688 1.00 0.00 WT3 H ATOM 41697 H2 TIP3 4553 36.628 66.319 34.592 1.00 0.00 WT3 H ATOM 41698 OH2 TIP3 4554 82.835 76.913 51.361 1.00 0.00 WT3 O ATOM 41699 H1 TIP3 4554 82.865 77.048 52.308 1.00 0.00 WT3 H ATOM 41700 H2 TIP3 4554 82.783 77.796 50.995 1.00 0.00 WT3 H ATOM 41701 OH2 TIP3 4555 34.359 75.829 53.100 1.00 0.00 WT3 O ATOM 41702 H1 TIP3 4555 34.537 76.140 53.987 1.00 0.00 WT3 H ATOM 41703 H2 TIP3 4555 35.215 75.570 52.759 1.00 0.00 WT3 H ATOM 41704 OH2 TIP3 4556 42.157 12.705 38.605 1.00 0.00 WT3 O ATOM 41705 H1 TIP3 4556 42.687 12.591 37.817 1.00 0.00 WT3 H ATOM 41706 H2 TIP3 4556 41.982 11.813 38.907 1.00 0.00 WT3 H ATOM 41707 OH2 TIP3 4557 47.792 70.719 64.778 1.00 0.00 WT3 O ATOM 41708 H1 TIP3 4557 46.851 70.651 64.616 1.00 0.00 WT3 H ATOM 41709 H2 TIP3 4557 48.088 71.415 64.191 1.00 0.00 WT3 H ATOM 41710 OH2 TIP3 4558 63.253 34.197 -5.004 1.00 0.00 WT3 O ATOM 41711 H1 TIP3 4558 63.233 33.895 -4.096 1.00 0.00 WT3 H ATOM 41712 H2 TIP3 4558 62.368 34.521 -5.169 1.00 0.00 WT3 H ATOM 41713 OH2 TIP3 4559 42.121 49.121 -15.359 1.00 0.00 WT3 O ATOM 41714 H1 TIP3 4559 42.936 48.736 -15.680 1.00 0.00 WT3 H ATOM 41715 H2 TIP3 4559 42.191 49.072 -14.405 1.00 0.00 WT3 H ATOM 41716 OH2 TIP3 4560 86.567 45.692 -9.049 1.00 0.00 WT3 O ATOM 41717 H1 TIP3 4560 86.218 45.357 -8.223 1.00 0.00 WT3 H ATOM 41718 H2 TIP3 4560 86.052 45.249 -9.724 1.00 0.00 WT3 H ATOM 41719 OH2 TIP3 4561 30.433 91.134 45.274 1.00 0.00 WT3 O ATOM 41720 H1 TIP3 4561 30.357 90.189 45.142 1.00 0.00 WT3 H ATOM 41721 H2 TIP3 4561 30.249 91.512 44.414 1.00 0.00 WT3 H ATOM 41722 OH2 TIP3 4562 35.277 13.219 -14.861 1.00 0.00 WT3 O ATOM 41723 H1 TIP3 4562 35.305 13.121 -15.813 1.00 0.00 WT3 H ATOM 41724 H2 TIP3 4562 34.343 13.257 -14.652 1.00 0.00 WT3 H ATOM 41725 OH2 TIP3 4564 33.358 75.936 58.623 1.00 0.00 WT3 O ATOM 41726 H1 TIP3 4564 32.494 75.541 58.499 1.00 0.00 WT3 H ATOM 41727 H2 TIP3 4564 33.789 75.371 59.264 1.00 0.00 WT3 H ATOM 41728 OH2 TIP3 4566 21.087 81.283 6.660 1.00 0.00 WT3 O ATOM 41729 H1 TIP3 4566 20.739 81.724 7.435 1.00 0.00 WT3 H ATOM 41730 H2 TIP3 4566 21.849 80.800 6.982 1.00 0.00 WT3 H ATOM 41731 OH2 TIP3 4567 20.255 9.561 4.821 1.00 0.00 WT3 O ATOM 41732 H1 TIP3 4567 19.672 9.707 4.076 1.00 0.00 WT3 H ATOM 41733 H2 TIP3 4567 21.087 9.953 4.555 1.00 0.00 WT3 H ATOM 41734 OH2 TIP3 4568 56.630 79.266 22.549 1.00 0.00 WT3 O ATOM 41735 H1 TIP3 4568 56.061 79.536 23.270 1.00 0.00 WT3 H ATOM 41736 H2 TIP3 4568 56.437 78.336 22.427 1.00 0.00 WT3 H ATOM 41737 OH2 TIP3 4569 47.061 87.365 -16.386 1.00 0.00 WT3 O ATOM 41738 H1 TIP3 4569 46.498 87.699 -17.084 1.00 0.00 WT3 H ATOM 41739 H2 TIP3 4569 47.858 87.083 -16.836 1.00 0.00 WT3 H ATOM 41740 OH2 TIP3 4570 76.446 17.107 38.349 1.00 0.00 WT3 O ATOM 41741 H1 TIP3 4570 76.175 16.811 37.480 1.00 0.00 WT3 H ATOM 41742 H2 TIP3 4570 77.131 16.490 38.609 1.00 0.00 WT3 H ATOM 41743 OH2 TIP3 4571 73.829 5.732 -19.897 1.00 0.00 WT3 O ATOM 41744 H1 TIP3 4571 72.954 6.038 -20.133 1.00 0.00 WT3 H ATOM 41745 H2 TIP3 4571 74.377 6.517 -19.938 1.00 0.00 WT3 H ATOM 41746 OH2 TIP3 4572 79.385 78.232 40.642 1.00 0.00 WT3 O ATOM 41747 H1 TIP3 4572 79.411 79.187 40.698 1.00 0.00 WT3 H ATOM 41748 H2 TIP3 4572 78.454 78.014 40.683 1.00 0.00 WT3 H ATOM 41749 OH2 TIP3 4573 84.666 15.976 37.111 1.00 0.00 WT3 O ATOM 41750 H1 TIP3 4573 84.285 16.851 37.043 1.00 0.00 WT3 H ATOM 41751 H2 TIP3 4573 84.701 15.802 38.052 1.00 0.00 WT3 H ATOM 41752 OH2 TIP3 4574 89.379 81.971 3.486 1.00 0.00 WT3 O ATOM 41753 H1 TIP3 4574 89.047 81.389 4.171 1.00 0.00 WT3 H ATOM 41754 H2 TIP3 4574 90.055 81.458 3.043 1.00 0.00 WT3 H ATOM 41755 OH2 TIP3 4575 58.517 63.377 54.916 1.00 0.00 WT3 O ATOM 41756 H1 TIP3 4575 58.069 62.560 55.132 1.00 0.00 WT3 H ATOM 41757 H2 TIP3 4575 58.450 63.444 53.963 1.00 0.00 WT3 H ATOM 41758 OH2 TIP3 4576 50.687 79.301 -13.596 1.00 0.00 WT3 O ATOM 41759 H1 TIP3 4576 51.266 78.633 -13.229 1.00 0.00 WT3 H ATOM 41760 H2 TIP3 4576 49.875 79.216 -13.095 1.00 0.00 WT3 H ATOM 41761 OH2 TIP3 4578 80.230 78.204 -3.184 1.00 0.00 WT3 O ATOM 41762 H1 TIP3 4578 80.014 78.440 -4.086 1.00 0.00 WT3 H ATOM 41763 H2 TIP3 4578 80.761 78.934 -2.866 1.00 0.00 WT3 H ATOM 41764 OH2 TIP3 4579 44.232 52.204 42.262 1.00 0.00 WT3 O ATOM 41765 H1 TIP3 4579 44.795 52.906 41.937 1.00 0.00 WT3 H ATOM 41766 H2 TIP3 4579 43.731 51.924 41.495 1.00 0.00 WT3 H ATOM 41767 OH2 TIP3 4581 82.161 60.239 7.180 1.00 0.00 WT3 O ATOM 41768 H1 TIP3 4581 82.249 59.992 8.101 1.00 0.00 WT3 H ATOM 41769 H2 TIP3 4581 81.316 59.877 6.915 1.00 0.00 WT3 H ATOM 41770 OH2 TIP3 4582 85.419 60.919 1.013 1.00 0.00 WT3 O ATOM 41771 H1 TIP3 4582 84.566 60.873 1.444 1.00 0.00 WT3 H ATOM 41772 H2 TIP3 4582 86.036 61.099 1.723 1.00 0.00 WT3 H ATOM 41773 OH2 TIP3 4585 65.554 8.999 32.273 1.00 0.00 WT3 O ATOM 41774 H1 TIP3 4585 64.713 8.832 31.847 1.00 0.00 WT3 H ATOM 41775 H2 TIP3 4585 65.651 8.282 32.900 1.00 0.00 WT3 H ATOM 41776 OH2 TIP3 4586 70.345 14.309 61.920 1.00 0.00 WT3 O ATOM 41777 H1 TIP3 4586 70.387 13.552 61.336 1.00 0.00 WT3 H ATOM 41778 H2 TIP3 4586 70.871 14.979 61.483 1.00 0.00 WT3 H ATOM 41779 OH2 TIP3 4587 38.731 83.379 1.482 1.00 0.00 WT3 O ATOM 41780 H1 TIP3 4587 38.794 84.037 0.790 1.00 0.00 WT3 H ATOM 41781 H2 TIP3 4587 38.181 83.787 2.152 1.00 0.00 WT3 H ATOM 41782 OH2 TIP3 4588 42.756 77.276 61.461 1.00 0.00 WT3 O ATOM 41783 H1 TIP3 4588 43.628 76.928 61.274 1.00 0.00 WT3 H ATOM 41784 H2 TIP3 4588 42.815 77.603 62.358 1.00 0.00 WT3 H ATOM 41785 OH2 TIP3 4592 26.313 33.451 53.157 1.00 0.00 WT3 O ATOM 41786 H1 TIP3 4592 25.991 33.185 52.295 1.00 0.00 WT3 H ATOM 41787 H2 TIP3 4592 27.083 33.987 52.970 1.00 0.00 WT3 H ATOM 41788 OH2 TIP3 4594 55.082 26.508 10.800 1.00 0.00 WT3 O ATOM 41789 H1 TIP3 4594 54.168 26.239 10.887 1.00 0.00 WT3 H ATOM 41790 H2 TIP3 4594 55.508 26.170 11.587 1.00 0.00 WT3 H ATOM 41791 OH2 TIP3 4596 30.146 61.260 10.560 1.00 0.00 WT3 O ATOM 41792 H1 TIP3 4596 30.852 60.623 10.451 1.00 0.00 WT3 H ATOM 41793 H2 TIP3 4596 30.313 61.660 11.413 1.00 0.00 WT3 H ATOM 41794 OH2 TIP3 4597 70.423 75.076 42.604 1.00 0.00 WT3 O ATOM 41795 H1 TIP3 4597 70.438 74.119 42.588 1.00 0.00 WT3 H ATOM 41796 H2 TIP3 4597 70.583 75.334 41.697 1.00 0.00 WT3 H ATOM 41797 OH2 TIP3 4598 38.655 84.004 15.588 1.00 0.00 WT3 O ATOM 41798 H1 TIP3 4598 38.190 84.029 16.425 1.00 0.00 WT3 H ATOM 41799 H2 TIP3 4598 38.322 84.762 15.107 1.00 0.00 WT3 H ATOM 41800 OH2 TIP3 4599 27.257 45.661 -19.442 1.00 0.00 WT3 O ATOM 41801 H1 TIP3 4599 27.243 45.430 -18.513 1.00 0.00 WT3 H ATOM 41802 H2 TIP3 4599 27.644 46.536 -19.465 1.00 0.00 WT3 H ATOM 41803 OH2 TIP3 4600 43.587 10.551 27.453 1.00 0.00 WT3 O ATOM 41804 H1 TIP3 4600 44.431 10.455 27.013 1.00 0.00 WT3 H ATOM 41805 H2 TIP3 4600 42.955 10.646 26.741 1.00 0.00 WT3 H ATOM 41806 OH2 TIP3 4605 35.870 3.906 21.533 1.00 0.00 WT3 O ATOM 41807 H1 TIP3 4605 36.305 4.686 21.188 1.00 0.00 WT3 H ATOM 41808 H2 TIP3 4605 36.521 3.210 21.447 1.00 0.00 WT3 H ATOM 41809 OH2 TIP3 4606 62.524 86.952 25.510 1.00 0.00 WT3 O ATOM 41810 H1 TIP3 4606 62.301 87.279 26.381 1.00 0.00 WT3 H ATOM 41811 H2 TIP3 4606 62.462 86.000 25.588 1.00 0.00 WT3 H ATOM 41812 OH2 TIP3 4607 73.939 46.394 7.916 1.00 0.00 WT3 O ATOM 41813 H1 TIP3 4607 73.570 47.270 7.801 1.00 0.00 WT3 H ATOM 41814 H2 TIP3 4607 73.640 46.120 8.782 1.00 0.00 WT3 H ATOM 41815 OH2 TIP3 4610 29.403 48.651 44.878 1.00 0.00 WT3 O ATOM 41816 H1 TIP3 4610 29.164 48.932 45.762 1.00 0.00 WT3 H ATOM 41817 H2 TIP3 4610 29.915 49.378 44.525 1.00 0.00 WT3 H ATOM 41818 OH2 TIP3 4611 39.676 75.004 -13.989 1.00 0.00 WT3 O ATOM 41819 H1 TIP3 4611 39.360 74.424 -14.682 1.00 0.00 WT3 H ATOM 41820 H2 TIP3 4611 39.188 74.736 -13.211 1.00 0.00 WT3 H ATOM 41821 OH2 TIP3 4612 36.087 85.119 57.286 1.00 0.00 WT3 O ATOM 41822 H1 TIP3 4612 35.608 84.366 56.939 1.00 0.00 WT3 H ATOM 41823 H2 TIP3 4612 35.543 85.439 58.006 1.00 0.00 WT3 H ATOM 41824 OH2 TIP3 4614 62.608 73.774 29.326 1.00 0.00 WT3 O ATOM 41825 H1 TIP3 4614 62.611 73.145 28.603 1.00 0.00 WT3 H ATOM 41826 H2 TIP3 4614 61.681 73.920 29.513 1.00 0.00 WT3 H ATOM 41827 OH2 TIP3 4615 47.395 3.509 5.207 1.00 0.00 WT3 O ATOM 41828 H1 TIP3 4615 46.464 3.657 5.376 1.00 0.00 WT3 H ATOM 41829 H2 TIP3 4615 47.411 2.912 4.460 1.00 0.00 WT3 H ATOM 41830 OH2 TIP3 4616 90.156 78.657 43.521 1.00 0.00 WT3 O ATOM 41831 H1 TIP3 4616 89.800 78.060 42.863 1.00 0.00 WT3 H ATOM 41832 H2 TIP3 4616 90.226 79.498 43.069 1.00 0.00 WT3 H ATOM 41833 OH2 TIP3 4617 71.622 61.879 5.617 1.00 0.00 WT3 O ATOM 41834 H1 TIP3 4617 71.615 62.836 5.659 1.00 0.00 WT3 H ATOM 41835 H2 TIP3 4617 71.873 61.603 6.498 1.00 0.00 WT3 H ATOM 41836 OH2 TIP3 4619 49.621 72.739 44.119 1.00 0.00 WT3 O ATOM 41837 H1 TIP3 4619 49.192 72.901 43.279 1.00 0.00 WT3 H ATOM 41838 H2 TIP3 4619 49.961 71.847 44.048 1.00 0.00 WT3 H ATOM 41839 OH2 TIP3 4620 74.019 22.588 66.051 1.00 0.00 WT3 O ATOM 41840 H1 TIP3 4620 73.865 22.287 65.156 1.00 0.00 WT3 H ATOM 41841 H2 TIP3 4620 73.725 23.499 66.052 1.00 0.00 WT3 H ATOM 41842 OH2 TIP3 4624 36.920 64.922 52.071 1.00 0.00 WT3 O ATOM 41843 H1 TIP3 4624 36.584 65.492 51.378 1.00 0.00 WT3 H ATOM 41844 H2 TIP3 4624 37.285 65.524 52.719 1.00 0.00 WT3 H ATOM 41845 OH2 TIP3 4625 48.605 16.279 45.186 1.00 0.00 WT3 O ATOM 41846 H1 TIP3 4625 49.536 16.093 45.063 1.00 0.00 WT3 H ATOM 41847 H2 TIP3 4625 48.546 17.234 45.160 1.00 0.00 WT3 H ATOM 41848 OH2 TIP3 4626 24.061 91.360 34.359 1.00 0.00 WT3 O ATOM 41849 H1 TIP3 4626 24.311 90.723 33.690 1.00 0.00 WT3 H ATOM 41850 H2 TIP3 4626 23.110 91.271 34.432 1.00 0.00 WT3 H ATOM 41851 OH2 TIP3 4628 23.796 96.792 41.888 1.00 0.00 WT3 O ATOM 41852 H1 TIP3 4628 23.307 96.066 41.502 1.00 0.00 WT3 H ATOM 41853 H2 TIP3 4628 24.592 96.853 41.360 1.00 0.00 WT3 H ATOM 41854 OH2 TIP3 4630 81.737 55.254 43.369 1.00 0.00 WT3 O ATOM 41855 H1 TIP3 4630 81.388 55.046 42.502 1.00 0.00 WT3 H ATOM 41856 H2 TIP3 4630 81.786 56.210 43.385 1.00 0.00 WT3 H ATOM 41857 OH2 TIP3 4631 37.831 15.616 49.374 1.00 0.00 WT3 O ATOM 41858 H1 TIP3 4631 38.329 16.139 48.746 1.00 0.00 WT3 H ATOM 41859 H2 TIP3 4631 37.758 16.175 50.148 1.00 0.00 WT3 H ATOM 41860 OH2 TIP3 4638 49.789 90.454 47.476 1.00 0.00 WT3 O ATOM 41861 H1 TIP3 4638 50.358 89.695 47.602 1.00 0.00 WT3 H ATOM 41862 H2 TIP3 4638 49.425 90.338 46.598 1.00 0.00 WT3 H ATOM 41863 OH2 TIP3 4639 65.084 59.923 16.493 1.00 0.00 WT3 O ATOM 41864 H1 TIP3 4639 64.977 59.615 15.593 1.00 0.00 WT3 H ATOM 41865 H2 TIP3 4639 64.190 60.069 16.804 1.00 0.00 WT3 H ATOM 41866 OH2 TIP3 4644 37.971 40.840 56.906 1.00 0.00 WT3 O ATOM 41867 H1 TIP3 4644 38.174 41.354 56.124 1.00 0.00 WT3 H ATOM 41868 H2 TIP3 4644 37.104 41.145 57.175 1.00 0.00 WT3 H ATOM 41869 OH2 TIP3 4649 53.596 78.149 -5.716 1.00 0.00 WT3 O ATOM 41870 H1 TIP3 4649 54.262 77.462 -5.735 1.00 0.00 WT3 H ATOM 41871 H2 TIP3 4649 53.049 77.932 -4.961 1.00 0.00 WT3 H ATOM 41872 OH2 TIP3 4654 87.089 19.814 -0.795 1.00 0.00 WT3 O ATOM 41873 H1 TIP3 4654 87.258 19.804 -1.737 1.00 0.00 WT3 H ATOM 41874 H2 TIP3 4654 87.597 20.556 -0.468 1.00 0.00 WT3 H ATOM 41875 OH2 TIP3 4656 39.371 17.567 48.014 1.00 0.00 WT3 O ATOM 41876 H1 TIP3 4656 39.326 18.509 48.175 1.00 0.00 WT3 H ATOM 41877 H2 TIP3 4656 39.973 17.477 47.275 1.00 0.00 WT3 H ATOM 41878 OH2 TIP3 4657 25.852 62.310 56.227 1.00 0.00 WT3 O ATOM 41879 H1 TIP3 4657 26.653 62.452 55.722 1.00 0.00 WT3 H ATOM 41880 H2 TIP3 4657 25.215 62.910 55.838 1.00 0.00 WT3 H ATOM 41881 OH2 TIP3 4662 82.548 54.852 3.575 1.00 0.00 WT3 O ATOM 41882 H1 TIP3 4662 82.998 54.973 4.412 1.00 0.00 WT3 H ATOM 41883 H2 TIP3 4662 81.691 55.259 3.702 1.00 0.00 WT3 H ATOM 41884 OH2 TIP3 4663 42.253 92.592 38.019 1.00 0.00 WT3 O ATOM 41885 H1 TIP3 4663 43.199 92.600 38.163 1.00 0.00 WT3 H ATOM 41886 H2 TIP3 4663 42.154 92.402 37.086 1.00 0.00 WT3 H ATOM 41887 OH2 TIP3 4695 46.614 10.571 62.660 1.00 0.00 WT3 O ATOM 41888 H1 TIP3 4695 47.085 10.183 61.922 1.00 0.00 WT3 H ATOM 41889 H2 TIP3 4695 46.742 9.952 63.379 1.00 0.00 WT3 H ATOM 41890 OH2 TIP3 4701 60.569 6.100 30.527 1.00 0.00 WT3 O ATOM 41891 H1 TIP3 4701 61.064 6.244 29.721 1.00 0.00 WT3 H ATOM 41892 H2 TIP3 4701 60.359 5.166 30.516 1.00 0.00 WT3 H ATOM 41893 OH2 TIP3 4719 70.113 45.440 3.526 1.00 0.00 WT3 O ATOM 41894 H1 TIP3 4719 70.308 46.102 4.189 1.00 0.00 WT3 H ATOM 41895 H2 TIP3 4719 69.597 44.780 3.990 1.00 0.00 WT3 H ATOM 41896 OH2 TIP3 4725 50.982 10.147 58.377 1.00 0.00 WT3 O ATOM 41897 H1 TIP3 4725 50.604 9.269 58.322 1.00 0.00 WT3 H ATOM 41898 H2 TIP3 4725 50.261 10.701 58.675 1.00 0.00 WT3 H ATOM 41899 OH2 TIP3 4797 46.528 12.261 11.559 1.00 0.00 WT3 O ATOM 41900 H1 TIP3 4797 45.643 12.331 11.916 1.00 0.00 WT3 H ATOM 41901 H2 TIP3 4797 46.616 11.341 11.313 1.00 0.00 WT3 H ATOM 41902 OH2 TIP3 4807 39.434 79.564 -18.860 1.00 0.00 WT3 O ATOM 41903 H1 TIP3 4807 38.689 79.184 -18.393 1.00 0.00 WT3 H ATOM 41904 H2 TIP3 4807 40.122 78.902 -18.794 1.00 0.00 WT3 H ATOM 41905 OH2 TIP3 4808 21.930 65.518 42.590 1.00 0.00 WT3 O ATOM 41906 H1 TIP3 4808 22.468 66.256 42.876 1.00 0.00 WT3 H ATOM 41907 H2 TIP3 4808 21.820 64.983 43.376 1.00 0.00 WT3 H ATOM 41908 OH2 TIP3 4809 83.363 15.834 52.335 1.00 0.00 WT3 O ATOM 41909 H1 TIP3 4809 84.133 15.500 51.875 1.00 0.00 WT3 H ATOM 41910 H2 TIP3 4809 83.715 16.461 52.967 1.00 0.00 WT3 H ATOM 41911 OH2 TIP3 4814 89.686 15.367 1.423 1.00 0.00 WT3 O ATOM 41912 H1 TIP3 4814 88.977 14.727 1.488 1.00 0.00 WT3 H ATOM 41913 H2 TIP3 4814 90.450 14.853 1.160 1.00 0.00 WT3 H ATOM 41914 OH2 TIP3 4834 66.007 78.048 23.716 1.00 0.00 WT3 O ATOM 41915 H1 TIP3 4834 65.885 77.122 23.926 1.00 0.00 WT3 H ATOM 41916 H2 TIP3 4834 66.588 78.047 22.956 1.00 0.00 WT3 H ATOM 41917 OH2 TIP3 4835 59.778 18.856 24.875 1.00 0.00 WT3 O ATOM 41918 H1 TIP3 4835 59.072 18.953 25.515 1.00 0.00 WT3 H ATOM 41919 H2 TIP3 4835 59.752 19.666 24.365 1.00 0.00 WT3 H ATOM 41920 OH2 TIP3 4836 79.394 78.618 -15.159 1.00 0.00 WT3 O ATOM 41921 H1 TIP3 4836 79.118 79.463 -14.804 1.00 0.00 WT3 H ATOM 41922 H2 TIP3 4836 79.964 78.248 -14.485 1.00 0.00 WT3 H ATOM 41923 OH2 TIP3 4844 74.851 68.979 24.146 1.00 0.00 WT3 O ATOM 41924 H1 TIP3 4844 74.563 69.431 24.940 1.00 0.00 WT3 H ATOM 41925 H2 TIP3 4844 74.339 68.171 24.132 1.00 0.00 WT3 H ATOM 41926 OH2 TIP3 4845 72.628 96.402 36.351 1.00 0.00 WT3 O ATOM 41927 H1 TIP3 4845 71.866 96.448 36.928 1.00 0.00 WT3 H ATOM 41928 H2 TIP3 4845 72.709 95.473 36.134 1.00 0.00 WT3 H ATOM 41929 OH2 TIP3 4847 69.163 5.824 57.501 1.00 0.00 WT3 O ATOM 41930 H1 TIP3 4847 69.491 6.132 56.656 1.00 0.00 WT3 H ATOM 41931 H2 TIP3 4847 69.030 6.623 58.012 1.00 0.00 WT3 H ATOM 41932 OH2 TIP3 4849 88.589 52.219 6.243 1.00 0.00 WT3 O ATOM 41933 H1 TIP3 4849 89.288 52.838 6.034 1.00 0.00 WT3 H ATOM 41934 H2 TIP3 4849 89.040 51.466 6.626 1.00 0.00 WT3 H ATOM 41935 OH2 TIP3 4851 33.728 46.139 26.239 1.00 0.00 WT3 O ATOM 41936 H1 TIP3 4851 34.475 46.452 25.728 1.00 0.00 WT3 H ATOM 41937 H2 TIP3 4851 34.118 45.761 27.027 1.00 0.00 WT3 H ATOM 41938 OH2 TIP3 4853 48.786 84.990 -12.126 1.00 0.00 WT3 O ATOM 41939 H1 TIP3 4853 48.692 84.255 -12.731 1.00 0.00 WT3 H ATOM 41940 H2 TIP3 4853 47.971 84.993 -11.624 1.00 0.00 WT3 H ATOM 41941 OH2 TIP3 4855 47.466 13.474 8.517 1.00 0.00 WT3 O ATOM 41942 H1 TIP3 4855 48.163 13.266 9.139 1.00 0.00 WT3 H ATOM 41943 H2 TIP3 4855 46.975 12.657 8.427 1.00 0.00 WT3 H ATOM 41944 OH2 TIP3 4857 88.658 58.406 21.965 1.00 0.00 WT3 O ATOM 41945 H1 TIP3 4857 89.302 57.805 22.339 1.00 0.00 WT3 H ATOM 41946 H2 TIP3 4857 87.824 57.943 22.042 1.00 0.00 WT3 H ATOM 41947 OH2 TIP3 4863 49.623 63.047 4.773 1.00 0.00 WT3 O ATOM 41948 H1 TIP3 4863 50.409 62.550 4.998 1.00 0.00 WT3 H ATOM 41949 H2 TIP3 4863 49.875 63.963 4.895 1.00 0.00 WT3 H ATOM 41950 OH2 TIP3 4864 56.731 60.363 -8.132 1.00 0.00 WT3 O ATOM 41951 H1 TIP3 4864 57.297 59.608 -8.293 1.00 0.00 WT3 H ATOM 41952 H2 TIP3 4864 56.081 60.046 -7.506 1.00 0.00 WT3 H ATOM 41953 OH2 TIP3 4870 49.402 62.651 58.676 1.00 0.00 WT3 O ATOM 41954 H1 TIP3 4870 49.128 63.567 58.728 1.00 0.00 WT3 H ATOM 41955 H2 TIP3 4870 50.204 62.611 59.198 1.00 0.00 WT3 H ATOM 41956 OH2 TIP3 4872 48.211 13.085 56.688 1.00 0.00 WT3 O ATOM 41957 H1 TIP3 4872 49.114 13.323 56.898 1.00 0.00 WT3 H ATOM 41958 H2 TIP3 4872 48.250 12.150 56.486 1.00 0.00 WT3 H ATOM 41959 OH2 TIP3 4873 79.104 7.027 8.435 1.00 0.00 WT3 O ATOM 41960 H1 TIP3 4873 78.273 6.580 8.592 1.00 0.00 WT3 H ATOM 41961 H2 TIP3 4873 79.756 6.326 8.425 1.00 0.00 WT3 H ATOM 41962 OH2 TIP3 4875 84.708 25.182 64.753 1.00 0.00 WT3 O ATOM 41963 H1 TIP3 4875 84.607 25.930 64.164 1.00 0.00 WT3 H ATOM 41964 H2 TIP3 4875 84.623 24.417 64.185 1.00 0.00 WT3 H ATOM 41965 OH2 TIP3 4877 34.868 68.987 -15.344 1.00 0.00 WT3 O ATOM 41966 H1 TIP3 4877 35.340 68.540 -16.046 1.00 0.00 WT3 H ATOM 41967 H2 TIP3 4877 35.525 69.125 -14.662 1.00 0.00 WT3 H ATOM 41968 OH2 TIP3 4881 66.215 83.224 10.039 1.00 0.00 WT3 O ATOM 41969 H1 TIP3 4881 66.335 82.402 10.514 1.00 0.00 WT3 H ATOM 41970 H2 TIP3 4881 65.508 83.042 9.420 1.00 0.00 WT3 H ATOM 41971 OH2 TIP3 4888 84.145 87.166 -1.862 1.00 0.00 WT3 O ATOM 41972 H1 TIP3 4888 85.064 87.164 -1.594 1.00 0.00 WT3 H ATOM 41973 H2 TIP3 4888 84.141 87.629 -2.700 1.00 0.00 WT3 H ATOM 41974 OH2 TIP3 4893 58.625 28.421 2.463 1.00 0.00 WT3 O ATOM 41975 H1 TIP3 4893 58.520 29.203 1.921 1.00 0.00 WT3 H ATOM 41976 H2 TIP3 4893 58.343 28.695 3.336 1.00 0.00 WT3 H ATOM 41977 OH2 TIP3 4894 74.160 69.151 7.995 1.00 0.00 WT3 O ATOM 41978 H1 TIP3 4894 73.405 69.681 7.737 1.00 0.00 WT3 H ATOM 41979 H2 TIP3 4894 73.840 68.249 7.966 1.00 0.00 WT3 H ATOM 41980 OH2 TIP3 4895 26.217 8.026 42.181 1.00 0.00 WT3 O ATOM 41981 H1 TIP3 4895 25.679 7.445 41.643 1.00 0.00 WT3 H ATOM 41982 H2 TIP3 4895 25.963 7.824 43.081 1.00 0.00 WT3 H ATOM 41983 OH2 TIP3 4896 71.588 5.308 -7.313 1.00 0.00 WT3 O ATOM 41984 H1 TIP3 4896 70.885 5.957 -7.337 1.00 0.00 WT3 H ATOM 41985 H2 TIP3 4896 71.566 4.899 -8.179 1.00 0.00 WT3 H ATOM 41986 OH2 TIP3 4897 31.674 58.929 21.837 1.00 0.00 WT3 O ATOM 41987 H1 TIP3 4897 31.418 59.569 22.500 1.00 0.00 WT3 H ATOM 41988 H2 TIP3 4897 32.593 59.126 21.654 1.00 0.00 WT3 H ATOM 41989 OH2 TIP3 4898 62.755 60.519 33.250 1.00 0.00 WT3 O ATOM 41990 H1 TIP3 4898 62.251 60.113 32.544 1.00 0.00 WT3 H ATOM 41991 H2 TIP3 4898 62.563 59.983 34.020 1.00 0.00 WT3 H ATOM 41992 OH2 TIP3 4899 42.608 34.091 -2.660 1.00 0.00 WT3 O ATOM 41993 H1 TIP3 4899 42.303 34.894 -2.237 1.00 0.00 WT3 H ATOM 41994 H2 TIP3 4899 41.834 33.528 -2.693 1.00 0.00 WT3 H ATOM 41995 OH2 TIP3 4902 84.678 78.153 45.106 1.00 0.00 WT3 O ATOM 41996 H1 TIP3 4902 84.317 77.793 45.916 1.00 0.00 WT3 H ATOM 41997 H2 TIP3 4902 85.618 77.984 45.167 1.00 0.00 WT3 H ATOM 41998 OH2 TIP3 4905 50.733 3.394 23.488 1.00 0.00 WT3 O ATOM 41999 H1 TIP3 4905 50.786 4.330 23.681 1.00 0.00 WT3 H ATOM 42000 H2 TIP3 4905 50.926 3.330 22.553 1.00 0.00 WT3 H ATOM 42001 OH2 TIP3 4906 84.440 94.492 8.842 1.00 0.00 WT3 O ATOM 42002 H1 TIP3 4906 85.013 94.164 9.535 1.00 0.00 WT3 H ATOM 42003 H2 TIP3 4906 84.628 93.931 8.089 1.00 0.00 WT3 H ATOM 42004 OH2 TIP3 4909 41.564 52.420 -19.674 1.00 0.00 WT3 O ATOM 42005 H1 TIP3 4909 42.423 52.130 -19.365 1.00 0.00 WT3 H ATOM 42006 H2 TIP3 4909 41.688 53.344 -19.894 1.00 0.00 WT3 H ATOM 42007 OH2 TIP3 4910 24.713 29.583 56.653 1.00 0.00 WT3 O ATOM 42008 H1 TIP3 4910 25.094 29.044 57.346 1.00 0.00 WT3 H ATOM 42009 H2 TIP3 4910 25.340 30.297 56.533 1.00 0.00 WT3 H ATOM 42010 OH2 TIP3 4913 48.284 47.591 52.555 1.00 0.00 WT3 O ATOM 42011 H1 TIP3 4913 47.935 47.808 51.690 1.00 0.00 WT3 H ATOM 42012 H2 TIP3 4913 48.488 48.439 52.950 1.00 0.00 WT3 H ATOM 42013 OH2 TIP3 4914 21.166 75.036 -17.148 1.00 0.00 WT3 O ATOM 42014 H1 TIP3 4914 22.086 74.962 -16.894 1.00 0.00 WT3 H ATOM 42015 H2 TIP3 4914 20.681 74.909 -16.332 1.00 0.00 WT3 H ATOM 42016 OH2 TIP3 4915 25.132 36.610 1.849 1.00 0.00 WT3 O ATOM 42017 H1 TIP3 4915 24.761 36.165 2.610 1.00 0.00 WT3 H ATOM 42018 H2 TIP3 4915 25.848 37.138 2.204 1.00 0.00 WT3 H ATOM 42019 OH2 TIP3 4916 82.459 25.993 -10.231 1.00 0.00 WT3 O ATOM 42020 H1 TIP3 4916 81.760 25.592 -9.715 1.00 0.00 WT3 H ATOM 42021 H2 TIP3 4916 83.227 25.448 -10.059 1.00 0.00 WT3 H ATOM 42022 OH2 TIP3 4917 63.172 73.156 -5.302 1.00 0.00 WT3 O ATOM 42023 H1 TIP3 4917 63.841 72.679 -5.793 1.00 0.00 WT3 H ATOM 42024 H2 TIP3 4917 63.122 72.700 -4.461 1.00 0.00 WT3 H ATOM 42025 OH2 TIP3 4919 59.020 81.401 16.932 1.00 0.00 WT3 O ATOM 42026 H1 TIP3 4919 58.133 81.759 16.929 1.00 0.00 WT3 H ATOM 42027 H2 TIP3 4919 59.559 82.100 17.303 1.00 0.00 WT3 H ATOM 42028 OH2 TIP3 4920 62.903 7.375 -8.931 1.00 0.00 WT3 O ATOM 42029 H1 TIP3 4920 62.184 7.768 -8.435 1.00 0.00 WT3 H ATOM 42030 H2 TIP3 4920 63.624 7.319 -8.304 1.00 0.00 WT3 H ATOM 42031 OH2 TIP3 4922 36.716 88.041 37.172 1.00 0.00 WT3 O ATOM 42032 H1 TIP3 4922 36.840 87.830 38.098 1.00 0.00 WT3 H ATOM 42033 H2 TIP3 4922 36.360 87.239 36.789 1.00 0.00 WT3 H ATOM 42034 OH2 TIP3 4924 25.446 62.447 -4.224 1.00 0.00 WT3 O ATOM 42035 H1 TIP3 4924 24.873 61.954 -3.636 1.00 0.00 WT3 H ATOM 42036 H2 TIP3 4924 26.280 62.499 -3.758 1.00 0.00 WT3 H ATOM 42037 OH2 TIP3 4928 36.986 66.892 20.803 1.00 0.00 WT3 O ATOM 42038 H1 TIP3 4928 37.712 67.015 20.190 1.00 0.00 WT3 H ATOM 42039 H2 TIP3 4928 37.218 67.430 21.560 1.00 0.00 WT3 H ATOM 42040 OH2 TIP3 4929 36.523 70.404 22.474 1.00 0.00 WT3 O ATOM 42041 H1 TIP3 4929 37.268 70.841 22.062 1.00 0.00 WT3 H ATOM 42042 H2 TIP3 4929 36.895 69.614 22.866 1.00 0.00 WT3 H ATOM 42043 OH2 TIP3 4931 44.103 59.898 43.261 1.00 0.00 WT3 O ATOM 42044 H1 TIP3 4931 44.794 60.449 42.891 1.00 0.00 WT3 H ATOM 42045 H2 TIP3 4931 43.791 59.376 42.522 1.00 0.00 WT3 H ATOM 42046 OH2 TIP3 4933 72.221 63.262 28.027 1.00 0.00 WT3 O ATOM 42047 H1 TIP3 4933 72.185 62.632 28.746 1.00 0.00 WT3 H ATOM 42048 H2 TIP3 4933 71.312 63.532 27.898 1.00 0.00 WT3 H ATOM 42049 OH2 TIP3 4934 39.549 2.510 62.809 1.00 0.00 WT3 O ATOM 42050 H1 TIP3 4934 39.097 2.484 61.965 1.00 0.00 WT3 H ATOM 42051 H2 TIP3 4934 40.217 3.187 62.703 1.00 0.00 WT3 H ATOM 42052 OH2 TIP3 4935 82.760 35.087 1.729 1.00 0.00 WT3 O ATOM 42053 H1 TIP3 4935 82.140 35.577 2.270 1.00 0.00 WT3 H ATOM 42054 H2 TIP3 4935 82.575 34.169 1.923 1.00 0.00 WT3 H ATOM 42055 OH2 TIP3 4936 72.487 92.495 -18.642 1.00 0.00 WT3 O ATOM 42056 H1 TIP3 4936 72.957 93.214 -18.219 1.00 0.00 WT3 H ATOM 42057 H2 TIP3 4936 71.988 92.086 -17.935 1.00 0.00 WT3 H ATOM 42058 OH2 TIP3 4937 83.583 62.406 -7.289 1.00 0.00 WT3 O ATOM 42059 H1 TIP3 4937 83.675 61.471 -7.471 1.00 0.00 WT3 H ATOM 42060 H2 TIP3 4937 84.467 62.759 -7.392 1.00 0.00 WT3 H ATOM 42061 OH2 TIP3 4938 24.219 95.140 22.885 1.00 0.00 WT3 O ATOM 42062 H1 TIP3 4938 24.710 95.809 23.361 1.00 0.00 WT3 H ATOM 42063 H2 TIP3 4938 24.880 94.501 22.619 1.00 0.00 WT3 H ATOM 42064 OH2 TIP3 4939 41.049 45.169 -1.461 1.00 0.00 WT3 O ATOM 42065 H1 TIP3 4939 41.572 45.950 -1.281 1.00 0.00 WT3 H ATOM 42066 H2 TIP3 4939 40.853 45.222 -2.397 1.00 0.00 WT3 H ATOM 42067 OH2 TIP3 4940 31.494 8.004 64.849 1.00 0.00 WT3 O ATOM 42068 H1 TIP3 4940 30.754 7.516 64.487 1.00 0.00 WT3 H ATOM 42069 H2 TIP3 4940 32.230 7.394 64.803 1.00 0.00 WT3 H ATOM 42070 OH2 TIP3 4942 81.457 68.461 -10.423 1.00 0.00 WT3 O ATOM 42071 H1 TIP3 4942 81.055 68.646 -11.272 1.00 0.00 WT3 H ATOM 42072 H2 TIP3 4942 81.683 69.323 -10.072 1.00 0.00 WT3 H ATOM 42073 OH2 TIP3 4943 25.226 43.372 -16.699 1.00 0.00 WT3 O ATOM 42074 H1 TIP3 4943 25.765 44.102 -16.396 1.00 0.00 WT3 H ATOM 42075 H2 TIP3 4943 24.840 43.011 -15.901 1.00 0.00 WT3 H ATOM 42076 OH2 TIP3 4944 49.384 17.068 41.533 1.00 0.00 WT3 O ATOM 42077 H1 TIP3 4944 48.552 17.415 41.855 1.00 0.00 WT3 H ATOM 42078 H2 TIP3 4944 49.452 17.397 40.637 1.00 0.00 WT3 H ATOM 42079 OH2 TIP3 4945 23.493 67.704 19.140 1.00 0.00 WT3 O ATOM 42080 H1 TIP3 4945 22.651 67.352 18.851 1.00 0.00 WT3 H ATOM 42081 H2 TIP3 4945 24.066 66.939 19.197 1.00 0.00 WT3 H ATOM 42082 OH2 TIP3 4946 42.433 65.380 65.982 1.00 0.00 WT3 O ATOM 42083 H1 TIP3 4946 43.106 65.152 65.340 1.00 0.00 WT3 H ATOM 42084 H2 TIP3 4946 42.260 64.562 66.449 1.00 0.00 WT3 H ATOM 42085 OH2 TIP3 4949 29.770 70.706 -12.614 1.00 0.00 WT3 O ATOM 42086 H1 TIP3 4949 30.495 70.083 -12.560 1.00 0.00 WT3 H ATOM 42087 H2 TIP3 4949 30.187 71.565 -12.540 1.00 0.00 WT3 H ATOM 42088 OH2 TIP3 4950 79.054 65.886 56.257 1.00 0.00 WT3 O ATOM 42089 H1 TIP3 4950 79.896 65.987 56.702 1.00 0.00 WT3 H ATOM 42090 H2 TIP3 4950 78.952 64.940 56.148 1.00 0.00 WT3 H ATOM 42091 OH2 TIP3 4953 56.921 64.492 18.705 1.00 0.00 WT3 O ATOM 42092 H1 TIP3 4953 56.630 64.698 17.817 1.00 0.00 WT3 H ATOM 42093 H2 TIP3 4953 57.590 63.817 18.588 1.00 0.00 WT3 H ATOM 42094 OH2 TIP3 4954 70.736 94.052 11.336 1.00 0.00 WT3 O ATOM 42095 H1 TIP3 4954 69.944 93.960 10.807 1.00 0.00 WT3 H ATOM 42096 H2 TIP3 4954 71.439 94.166 10.698 1.00 0.00 WT3 H ATOM 42097 OH2 TIP3 4955 57.371 77.688 14.657 1.00 0.00 WT3 O ATOM 42098 H1 TIP3 4955 57.945 77.279 15.304 1.00 0.00 WT3 H ATOM 42099 H2 TIP3 4955 56.911 76.955 14.247 1.00 0.00 WT3 H ATOM 42100 OH2 TIP3 4956 32.821 16.459 48.690 1.00 0.00 WT3 O ATOM 42101 H1 TIP3 4956 32.977 16.611 49.623 1.00 0.00 WT3 H ATOM 42102 H2 TIP3 4956 33.541 16.910 48.250 1.00 0.00 WT3 H ATOM 42103 OH2 TIP3 4957 48.176 82.504 6.412 1.00 0.00 WT3 O ATOM 42104 H1 TIP3 4957 48.400 83.299 6.895 1.00 0.00 WT3 H ATOM 42105 H2 TIP3 4957 48.809 81.853 6.715 1.00 0.00 WT3 H ATOM 42106 OH2 TIP3 4958 71.833 93.460 -9.872 1.00 0.00 WT3 O ATOM 42107 H1 TIP3 4958 71.609 92.895 -10.611 1.00 0.00 WT3 H ATOM 42108 H2 TIP3 4958 72.156 92.860 -9.200 1.00 0.00 WT3 H ATOM 42109 OH2 TIP3 4959 33.078 2.840 18.050 1.00 0.00 WT3 O ATOM 42110 H1 TIP3 4959 32.392 2.190 17.897 1.00 0.00 WT3 H ATOM 42111 H2 TIP3 4959 33.243 2.796 18.992 1.00 0.00 WT3 H ATOM 42112 OH2 TIP3 4960 81.856 70.185 5.146 1.00 0.00 WT3 O ATOM 42113 H1 TIP3 4960 82.700 69.916 4.785 1.00 0.00 WT3 H ATOM 42114 H2 TIP3 4960 81.667 71.020 4.719 1.00 0.00 WT3 H ATOM 42115 OH2 TIP3 4961 22.898 26.597 -1.365 1.00 0.00 WT3 O ATOM 42116 H1 TIP3 4961 23.528 26.386 -2.055 1.00 0.00 WT3 H ATOM 42117 H2 TIP3 4961 22.094 26.818 -1.834 1.00 0.00 WT3 H ATOM 42118 OH2 TIP3 4962 25.403 20.271 58.526 1.00 0.00 WT3 O ATOM 42119 H1 TIP3 4962 25.981 19.894 57.862 1.00 0.00 WT3 H ATOM 42120 H2 TIP3 4962 25.952 20.347 59.307 1.00 0.00 WT3 H ATOM 42121 OH2 TIP3 4963 30.602 4.294 -16.526 1.00 0.00 WT3 O ATOM 42122 H1 TIP3 4963 30.388 4.638 -15.658 1.00 0.00 WT3 H ATOM 42123 H2 TIP3 4963 31.432 3.833 -16.404 1.00 0.00 WT3 H ATOM 42124 OH2 TIP3 4964 36.694 46.204 -12.294 1.00 0.00 WT3 O ATOM 42125 H1 TIP3 4964 37.005 46.992 -12.741 1.00 0.00 WT3 H ATOM 42126 H2 TIP3 4964 37.375 46.009 -11.650 1.00 0.00 WT3 H ATOM 42127 OH2 TIP3 4965 41.539 71.510 4.201 1.00 0.00 WT3 O ATOM 42128 H1 TIP3 4965 42.283 71.058 4.599 1.00 0.00 WT3 H ATOM 42129 H2 TIP3 4965 41.395 71.053 3.372 1.00 0.00 WT3 H ATOM 42130 OH2 TIP3 4967 89.797 70.644 12.902 1.00 0.00 WT3 O ATOM 42131 H1 TIP3 4967 90.632 70.429 13.318 1.00 0.00 WT3 H ATOM 42132 H2 TIP3 4967 89.138 70.424 13.560 1.00 0.00 WT3 H ATOM 42133 OH2 TIP3 4968 44.054 29.938 6.606 1.00 0.00 WT3 O ATOM 42134 H1 TIP3 4968 44.660 29.257 6.897 1.00 0.00 WT3 H ATOM 42135 H2 TIP3 4968 43.429 30.027 7.326 1.00 0.00 WT3 H ATOM 42136 OH2 TIP3 4970 74.295 69.472 4.969 1.00 0.00 WT3 O ATOM 42137 H1 TIP3 4970 75.097 69.983 4.854 1.00 0.00 WT3 H ATOM 42138 H2 TIP3 4970 74.076 69.573 5.895 1.00 0.00 WT3 H ATOM 42139 OH2 TIP3 4971 56.237 37.135 45.697 1.00 0.00 WT3 O ATOM 42140 H1 TIP3 4971 55.461 37.679 45.833 1.00 0.00 WT3 H ATOM 42141 H2 TIP3 4971 56.746 37.606 45.037 1.00 0.00 WT3 H ATOM 42142 OH2 TIP3 4972 49.675 84.126 -0.802 1.00 0.00 WT3 O ATOM 42143 H1 TIP3 4972 49.998 83.328 -1.219 1.00 0.00 WT3 H ATOM 42144 H2 TIP3 4972 49.273 83.826 0.013 1.00 0.00 WT3 H ATOM 42145 OH2 TIP3 4973 78.872 62.267 48.983 1.00 0.00 WT3 O ATOM 42146 H1 TIP3 4973 78.229 61.559 48.953 1.00 0.00 WT3 H ATOM 42147 H2 TIP3 4973 78.352 63.057 49.135 1.00 0.00 WT3 H ATOM 42148 OH2 TIP3 4974 53.565 77.906 29.727 1.00 0.00 WT3 O ATOM 42149 H1 TIP3 4974 54.280 77.394 29.348 1.00 0.00 WT3 H ATOM 42150 H2 TIP3 4974 52.770 77.450 29.451 1.00 0.00 WT3 H ATOM 42151 OH2 TIP3 4975 78.157 85.386 14.512 1.00 0.00 WT3 O ATOM 42152 H1 TIP3 4975 78.361 85.589 15.424 1.00 0.00 WT3 H ATOM 42153 H2 TIP3 4975 78.635 86.044 14.007 1.00 0.00 WT3 H ATOM 42154 OH2 TIP3 4976 69.300 78.585 -3.364 1.00 0.00 WT3 O ATOM 42155 H1 TIP3 4976 69.587 77.745 -3.723 1.00 0.00 WT3 H ATOM 42156 H2 TIP3 4976 68.554 78.365 -2.806 1.00 0.00 WT3 H ATOM 42157 OH2 TIP3 4977 74.746 12.586 53.181 1.00 0.00 WT3 O ATOM 42158 H1 TIP3 4977 74.744 11.633 53.271 1.00 0.00 WT3 H ATOM 42159 H2 TIP3 4977 73.850 12.805 52.926 1.00 0.00 WT3 H ATOM 42160 OH2 TIP3 4978 63.815 12.276 20.938 1.00 0.00 WT3 O ATOM 42161 H1 TIP3 4978 63.993 11.406 20.580 1.00 0.00 WT3 H ATOM 42162 H2 TIP3 4978 64.681 12.647 21.106 1.00 0.00 WT3 H ATOM 42163 OH2 TIP3 4979 40.395 66.914 64.680 1.00 0.00 WT3 O ATOM 42164 H1 TIP3 4979 40.972 66.516 65.332 1.00 0.00 WT3 H ATOM 42165 H2 TIP3 4979 40.567 66.423 63.876 1.00 0.00 WT3 H ATOM 42166 OH2 TIP3 4980 69.323 24.043 33.884 1.00 0.00 WT3 O ATOM 42167 H1 TIP3 4980 69.828 24.630 34.446 1.00 0.00 WT3 H ATOM 42168 H2 TIP3 4980 69.485 24.362 32.996 1.00 0.00 WT3 H ATOM 42169 OH2 TIP3 4981 79.578 82.714 26.415 1.00 0.00 WT3 O ATOM 42170 H1 TIP3 4981 78.794 82.348 26.005 1.00 0.00 WT3 H ATOM 42171 H2 TIP3 4981 79.553 82.389 27.315 1.00 0.00 WT3 H ATOM 42172 OH2 TIP3 4982 20.751 54.053 57.566 1.00 0.00 WT3 O ATOM 42173 H1 TIP3 4982 21.365 54.485 56.972 1.00 0.00 WT3 H ATOM 42174 H2 TIP3 4982 20.553 54.715 58.229 1.00 0.00 WT3 H ATOM 42175 OH2 TIP3 4983 31.023 11.083 -9.352 1.00 0.00 WT3 O ATOM 42176 H1 TIP3 4983 31.435 10.294 -9.705 1.00 0.00 WT3 H ATOM 42177 H2 TIP3 4983 30.292 11.258 -9.945 1.00 0.00 WT3 H ATOM 42178 OH2 TIP3 4985 59.231 87.026 8.376 1.00 0.00 WT3 O ATOM 42179 H1 TIP3 4985 58.995 87.953 8.423 1.00 0.00 WT3 H ATOM 42180 H2 TIP3 4985 58.672 86.603 9.028 1.00 0.00 WT3 H ATOM 42181 OH2 TIP3 4987 67.143 14.612 52.883 1.00 0.00 WT3 O ATOM 42182 H1 TIP3 4987 66.387 15.198 52.838 1.00 0.00 WT3 H ATOM 42183 H2 TIP3 4987 67.193 14.218 52.012 1.00 0.00 WT3 H ATOM 42184 OH2 TIP3 4989 67.031 92.285 -5.389 1.00 0.00 WT3 O ATOM 42185 H1 TIP3 4989 67.074 92.290 -4.433 1.00 0.00 WT3 H ATOM 42186 H2 TIP3 4989 66.193 92.700 -5.593 1.00 0.00 WT3 H ATOM 42187 OH2 TIP3 4991 23.006 23.374 40.886 1.00 0.00 WT3 O ATOM 42188 H1 TIP3 4991 22.942 23.390 41.841 1.00 0.00 WT3 H ATOM 42189 H2 TIP3 4991 22.652 22.520 40.636 1.00 0.00 WT3 H ATOM 42190 OH2 TIP3 4994 42.845 5.129 39.419 1.00 0.00 WT3 O ATOM 42191 H1 TIP3 4994 43.156 4.335 38.984 1.00 0.00 WT3 H ATOM 42192 H2 TIP3 4994 43.505 5.312 40.087 1.00 0.00 WT3 H ATOM 42193 OH2 TIP3 4995 78.743 61.118 55.575 1.00 0.00 WT3 O ATOM 42194 H1 TIP3 4995 77.886 60.907 55.205 1.00 0.00 WT3 H ATOM 42195 H2 TIP3 4995 78.716 60.760 56.462 1.00 0.00 WT3 H ATOM 42196 OH2 TIP3 4996 40.481 50.703 43.401 1.00 0.00 WT3 O ATOM 42197 H1 TIP3 4996 40.885 50.339 44.188 1.00 0.00 WT3 H ATOM 42198 H2 TIP3 4996 40.115 51.540 43.684 1.00 0.00 WT3 H ATOM 42199 OH2 TIP3 4998 55.209 83.407 46.560 1.00 0.00 WT3 O ATOM 42200 H1 TIP3 4998 55.100 83.606 45.630 1.00 0.00 WT3 H ATOM 42201 H2 TIP3 4998 54.559 82.726 46.737 1.00 0.00 WT3 H ATOM 42202 OH2 TIP3 4999 61.342 9.536 28.034 1.00 0.00 WT3 O ATOM 42203 H1 TIP3 4999 61.659 10.310 27.569 1.00 0.00 WT3 H ATOM 42204 H2 TIP3 4999 61.121 9.854 28.909 1.00 0.00 WT3 H ATOM 42205 OH2 TIP3 5000 49.207 57.799 63.344 1.00 0.00 WT3 O ATOM 42206 H1 TIP3 5000 49.079 58.669 62.967 1.00 0.00 WT3 H ATOM 42207 H2 TIP3 5000 49.979 57.454 62.896 1.00 0.00 WT3 H ATOM 42208 OH2 TIP3 5001 33.500 78.669 28.292 1.00 0.00 WT3 O ATOM 42209 H1 TIP3 5001 33.715 79.569 28.535 1.00 0.00 WT3 H ATOM 42210 H2 TIP3 5001 34.322 78.307 27.960 1.00 0.00 WT3 H ATOM 42211 OH2 TIP3 5002 46.572 16.586 55.734 1.00 0.00 WT3 O ATOM 42212 H1 TIP3 5002 46.786 15.698 55.448 1.00 0.00 WT3 H ATOM 42213 H2 TIP3 5002 46.121 16.978 54.986 1.00 0.00 WT3 H ATOM 42214 OH2 TIP3 5003 36.534 55.224 61.211 1.00 0.00 WT3 O ATOM 42215 H1 TIP3 5003 36.420 54.637 60.464 1.00 0.00 WT3 H ATOM 42216 H2 TIP3 5003 36.184 56.063 60.913 1.00 0.00 WT3 H ATOM 42217 OH2 TIP3 5004 41.274 93.825 -16.394 1.00 0.00 WT3 O ATOM 42218 H1 TIP3 5004 40.837 94.675 -16.356 1.00 0.00 WT3 H ATOM 42219 H2 TIP3 5004 40.879 93.320 -15.683 1.00 0.00 WT3 H ATOM 42220 OH2 TIP3 5005 32.762 90.292 5.995 1.00 0.00 WT3 O ATOM 42221 H1 TIP3 5005 32.247 89.810 6.642 1.00 0.00 WT3 H ATOM 42222 H2 TIP3 5005 32.704 91.206 6.274 1.00 0.00 WT3 H ATOM 42223 OH2 TIP3 5006 70.947 54.557 55.799 1.00 0.00 WT3 O ATOM 42224 H1 TIP3 5006 71.212 55.461 55.631 1.00 0.00 WT3 H ATOM 42225 H2 TIP3 5006 70.257 54.628 56.458 1.00 0.00 WT3 H ATOM 42226 OH2 TIP3 5007 43.122 45.947 -4.349 1.00 0.00 WT3 O ATOM 42227 H1 TIP3 5007 43.790 45.436 -3.891 1.00 0.00 WT3 H ATOM 42228 H2 TIP3 5007 43.520 46.810 -4.466 1.00 0.00 WT3 H ATOM 42229 OH2 TIP3 5008 54.801 1.661 -15.819 1.00 0.00 WT3 O ATOM 42230 H1 TIP3 5008 54.366 1.462 -14.989 1.00 0.00 WT3 H ATOM 42231 H2 TIP3 5008 55.730 1.717 -15.595 1.00 0.00 WT3 H ATOM 42232 OH2 TIP3 5009 39.375 80.711 11.598 1.00 0.00 WT3 O ATOM 42233 H1 TIP3 5009 40.158 80.383 11.155 1.00 0.00 WT3 H ATOM 42234 H2 TIP3 5009 39.657 81.529 12.009 1.00 0.00 WT3 H ATOM 42235 OH2 TIP3 5010 62.699 5.370 -1.827 1.00 0.00 WT3 O ATOM 42236 H1 TIP3 5010 63.328 5.987 -1.453 1.00 0.00 WT3 H ATOM 42237 H2 TIP3 5010 63.210 4.856 -2.453 1.00 0.00 WT3 H ATOM 42238 OH2 TIP3 5011 30.572 34.845 37.225 1.00 0.00 WT3 O ATOM 42239 H1 TIP3 5011 31.275 34.853 37.874 1.00 0.00 WT3 H ATOM 42240 H2 TIP3 5011 30.992 35.125 36.412 1.00 0.00 WT3 H ATOM 42241 OH2 TIP3 5012 23.379 47.172 27.555 1.00 0.00 WT3 O ATOM 42242 H1 TIP3 5012 22.517 46.769 27.458 1.00 0.00 WT3 H ATOM 42243 H2 TIP3 5012 23.195 48.097 27.722 1.00 0.00 WT3 H ATOM 42244 OH2 TIP3 5013 37.261 42.416 40.848 1.00 0.00 WT3 O ATOM 42245 H1 TIP3 5013 37.722 42.094 40.073 1.00 0.00 WT3 H ATOM 42246 H2 TIP3 5013 37.812 43.126 41.177 1.00 0.00 WT3 H ATOM 42247 OH2 TIP3 5014 76.890 77.644 40.462 1.00 0.00 WT3 O ATOM 42248 H1 TIP3 5014 76.159 77.820 41.055 1.00 0.00 WT3 H ATOM 42249 H2 TIP3 5014 76.820 76.710 40.265 1.00 0.00 WT3 H ATOM 42250 OH2 TIP3 5015 20.083 32.165 24.983 1.00 0.00 WT3 O ATOM 42251 H1 TIP3 5015 20.970 32.467 25.181 1.00 0.00 WT3 H ATOM 42252 H2 TIP3 5015 19.628 32.188 25.824 1.00 0.00 WT3 H ATOM 42253 OH2 TIP3 5016 64.648 56.741 63.170 1.00 0.00 WT3 O ATOM 42254 H1 TIP3 5016 65.424 57.101 62.741 1.00 0.00 WT3 H ATOM 42255 H2 TIP3 5016 64.175 56.290 62.471 1.00 0.00 WT3 H ATOM 42256 OH2 TIP3 5017 44.436 32.625 -19.863 1.00 0.00 WT3 O ATOM 42257 H1 TIP3 5017 44.783 33.315 -19.297 1.00 0.00 WT3 H ATOM 42258 H2 TIP3 5017 43.485 32.720 -19.802 1.00 0.00 WT3 H ATOM 42259 OH2 TIP3 5018 53.297 8.266 27.334 1.00 0.00 WT3 O ATOM 42260 H1 TIP3 5018 54.026 7.751 27.679 1.00 0.00 WT3 H ATOM 42261 H2 TIP3 5018 53.218 7.988 26.421 1.00 0.00 WT3 H ATOM 42262 OH2 TIP3 5019 88.743 51.954 11.491 1.00 0.00 WT3 O ATOM 42263 H1 TIP3 5019 89.537 51.474 11.253 1.00 0.00 WT3 H ATOM 42264 H2 TIP3 5019 88.950 52.357 12.335 1.00 0.00 WT3 H ATOM 42265 OH2 TIP3 5020 65.036 38.662 35.474 1.00 0.00 WT3 O ATOM 42266 H1 TIP3 5020 64.431 38.188 34.904 1.00 0.00 WT3 H ATOM 42267 H2 TIP3 5020 64.998 39.567 35.166 1.00 0.00 WT3 H ATOM 42268 OH2 TIP3 5021 82.593 33.564 -5.802 1.00 0.00 WT3 O ATOM 42269 H1 TIP3 5021 81.656 33.371 -5.845 1.00 0.00 WT3 H ATOM 42270 H2 TIP3 5021 82.690 34.117 -5.027 1.00 0.00 WT3 H ATOM 42271 OH2 TIP3 5022 27.024 17.552 60.079 1.00 0.00 WT3 O ATOM 42272 H1 TIP3 5022 27.819 17.539 60.611 1.00 0.00 WT3 H ATOM 42273 H2 TIP3 5022 26.467 16.875 60.464 1.00 0.00 WT3 H ATOM 42274 OH2 TIP3 5023 55.672 89.152 -14.136 1.00 0.00 WT3 O ATOM 42275 H1 TIP3 5023 56.053 88.568 -14.792 1.00 0.00 WT3 H ATOM 42276 H2 TIP3 5023 55.655 88.632 -13.332 1.00 0.00 WT3 H ATOM 42277 OH2 TIP3 5024 22.213 0.770 4.940 1.00 0.00 WT3 O ATOM 42278 H1 TIP3 5024 21.565 1.186 5.508 1.00 0.00 WT3 H ATOM 42279 H2 TIP3 5024 21.934 -0.144 4.887 1.00 0.00 WT3 H ATOM 42280 OH2 TIP3 5025 78.230 93.774 1.564 1.00 0.00 WT3 O ATOM 42281 H1 TIP3 5025 77.904 93.707 0.667 1.00 0.00 WT3 H ATOM 42282 H2 TIP3 5025 77.851 94.588 1.897 1.00 0.00 WT3 H ATOM 42283 OH2 TIP3 5027 73.924 63.477 6.731 1.00 0.00 WT3 O ATOM 42284 H1 TIP3 5027 73.351 63.799 7.427 1.00 0.00 WT3 H ATOM 42285 H2 TIP3 5027 74.276 62.654 7.070 1.00 0.00 WT3 H ATOM 42286 OH2 TIP3 5031 63.807 72.595 48.485 1.00 0.00 WT3 O ATOM 42287 H1 TIP3 5031 63.200 72.381 49.193 1.00 0.00 WT3 H ATOM 42288 H2 TIP3 5031 63.737 71.857 47.878 1.00 0.00 WT3 H ATOM 42289 OH2 TIP3 5033 57.088 4.480 31.834 1.00 0.00 WT3 O ATOM 42290 H1 TIP3 5033 57.613 4.344 32.623 1.00 0.00 WT3 H ATOM 42291 H2 TIP3 5033 57.248 5.393 31.595 1.00 0.00 WT3 H ATOM 42292 OH2 TIP3 5034 67.643 11.255 47.007 1.00 0.00 WT3 O ATOM 42293 H1 TIP3 5034 67.101 12.044 47.020 1.00 0.00 WT3 H ATOM 42294 H2 TIP3 5034 67.366 10.785 46.220 1.00 0.00 WT3 H ATOM 42295 OH2 TIP3 5039 35.311 77.673 13.264 1.00 0.00 WT3 O ATOM 42296 H1 TIP3 5039 36.268 77.671 13.287 1.00 0.00 WT3 H ATOM 42297 H2 TIP3 5039 35.051 78.061 14.099 1.00 0.00 WT3 H ATOM 42298 OH2 TIP3 5041 71.483 87.359 28.769 1.00 0.00 WT3 O ATOM 42299 H1 TIP3 5041 72.348 87.012 28.550 1.00 0.00 WT3 H ATOM 42300 H2 TIP3 5041 71.441 87.311 29.724 1.00 0.00 WT3 H ATOM 42301 OH2 TIP3 5043 67.297 87.200 19.472 1.00 0.00 WT3 O ATOM 42302 H1 TIP3 5043 66.888 87.515 20.278 1.00 0.00 WT3 H ATOM 42303 H2 TIP3 5043 66.666 87.414 18.784 1.00 0.00 WT3 H ATOM 42304 OH2 TIP3 5044 26.137 53.560 4.254 1.00 0.00 WT3 O ATOM 42305 H1 TIP3 5044 26.908 53.722 4.796 1.00 0.00 WT3 H ATOM 42306 H2 TIP3 5044 25.637 52.902 4.737 1.00 0.00 WT3 H ATOM 42307 OH2 TIP3 5046 72.880 80.817 3.805 1.00 0.00 WT3 O ATOM 42308 H1 TIP3 5046 72.195 81.196 4.356 1.00 0.00 WT3 H ATOM 42309 H2 TIP3 5046 73.580 81.469 3.810 1.00 0.00 WT3 H ATOM 42310 OH2 TIP3 5047 66.560 81.401 -15.170 1.00 0.00 WT3 O ATOM 42311 H1 TIP3 5047 66.208 80.549 -14.914 1.00 0.00 WT3 H ATOM 42312 H2 TIP3 5047 67.258 81.196 -15.792 1.00 0.00 WT3 H ATOM 42313 OH2 TIP3 5048 76.592 53.956 47.134 1.00 0.00 WT3 O ATOM 42314 H1 TIP3 5048 76.640 54.483 46.337 1.00 0.00 WT3 H ATOM 42315 H2 TIP3 5048 76.575 53.051 46.823 1.00 0.00 WT3 H ATOM 42316 OH2 TIP3 5049 77.119 77.199 3.748 1.00 0.00 WT3 O ATOM 42317 H1 TIP3 5049 77.682 76.600 3.259 1.00 0.00 WT3 H ATOM 42318 H2 TIP3 5049 76.771 77.797 3.086 1.00 0.00 WT3 H ATOM 42319 OH2 TIP3 5051 44.763 20.067 -20.033 1.00 0.00 WT3 O ATOM 42320 H1 TIP3 5051 45.655 20.413 -20.034 1.00 0.00 WT3 H ATOM 42321 H2 TIP3 5051 44.215 20.816 -19.800 1.00 0.00 WT3 H ATOM 42322 OH2 TIP3 5052 84.107 69.875 13.477 1.00 0.00 WT3 O ATOM 42323 H1 TIP3 5052 84.513 69.629 12.646 1.00 0.00 WT3 H ATOM 42324 H2 TIP3 5052 84.320 69.156 14.071 1.00 0.00 WT3 H ATOM 42325 OH2 TIP3 5056 84.952 76.448 28.564 1.00 0.00 WT3 O ATOM 42326 H1 TIP3 5056 85.370 75.705 29.000 1.00 0.00 WT3 H ATOM 42327 H2 TIP3 5056 84.042 76.419 28.858 1.00 0.00 WT3 H ATOM 42328 OH2 TIP3 5058 66.196 5.065 58.222 1.00 0.00 WT3 O ATOM 42329 H1 TIP3 5058 65.848 5.661 57.559 1.00 0.00 WT3 H ATOM 42330 H2 TIP3 5058 66.955 5.523 58.582 1.00 0.00 WT3 H ATOM 42331 OH2 TIP3 5059 73.066 89.015 6.033 1.00 0.00 WT3 O ATOM 42332 H1 TIP3 5059 72.664 89.475 5.296 1.00 0.00 WT3 H ATOM 42333 H2 TIP3 5059 72.738 88.118 5.962 1.00 0.00 WT3 H ATOM 42334 OH2 TIP3 5060 26.277 33.392 50.149 1.00 0.00 WT3 O ATOM 42335 H1 TIP3 5060 26.542 32.547 49.787 1.00 0.00 WT3 H ATOM 42336 H2 TIP3 5060 25.345 33.461 49.940 1.00 0.00 WT3 H ATOM 42337 OH2 TIP3 5061 84.203 70.558 -8.934 1.00 0.00 WT3 O ATOM 42338 H1 TIP3 5061 83.474 71.031 -9.334 1.00 0.00 WT3 H ATOM 42339 H2 TIP3 5061 83.884 70.314 -8.065 1.00 0.00 WT3 H ATOM 42340 OH2 TIP3 5063 25.173 31.215 5.737 1.00 0.00 WT3 O ATOM 42341 H1 TIP3 5063 25.354 31.110 6.672 1.00 0.00 WT3 H ATOM 42342 H2 TIP3 5063 25.094 30.321 5.406 1.00 0.00 WT3 H ATOM 42343 OH2 TIP3 5066 38.293 87.599 -14.379 1.00 0.00 WT3 O ATOM 42344 H1 TIP3 5066 38.273 87.343 -13.457 1.00 0.00 WT3 H ATOM 42345 H2 TIP3 5066 39.214 87.527 -14.628 1.00 0.00 WT3 H ATOM 42346 OH2 TIP3 5074 52.289 93.311 52.598 1.00 0.00 WT3 O ATOM 42347 H1 TIP3 5074 51.813 92.610 52.153 1.00 0.00 WT3 H ATOM 42348 H2 TIP3 5074 52.997 93.540 51.997 1.00 0.00 WT3 H ATOM 42349 OH2 TIP3 5076 47.966 9.701 24.423 1.00 0.00 WT3 O ATOM 42350 H1 TIP3 5076 48.035 10.639 24.247 1.00 0.00 WT3 H ATOM 42351 H2 TIP3 5076 48.798 9.472 24.836 1.00 0.00 WT3 H ATOM 42352 OH2 TIP3 5077 22.626 96.381 20.789 1.00 0.00 WT3 O ATOM 42353 H1 TIP3 5077 22.996 95.796 21.450 1.00 0.00 WT3 H ATOM 42354 H2 TIP3 5077 21.852 95.920 20.466 1.00 0.00 WT3 H ATOM 42355 OH2 TIP3 5080 84.479 11.511 0.765 1.00 0.00 WT3 O ATOM 42356 H1 TIP3 5080 84.932 12.297 1.072 1.00 0.00 WT3 H ATOM 42357 H2 TIP3 5080 84.620 11.507 -0.182 1.00 0.00 WT3 H ATOM 42358 OH2 TIP3 5084 33.277 57.786 64.502 1.00 0.00 WT3 O ATOM 42359 H1 TIP3 5084 32.445 57.320 64.587 1.00 0.00 WT3 H ATOM 42360 H2 TIP3 5084 33.128 58.624 64.940 1.00 0.00 WT3 H ATOM 42361 OH2 TIP3 5085 35.352 1.109 55.005 1.00 0.00 WT3 O ATOM 42362 H1 TIP3 5085 34.614 1.488 55.481 1.00 0.00 WT3 H ATOM 42363 H2 TIP3 5085 35.574 0.318 55.497 1.00 0.00 WT3 H ATOM 42364 OH2 TIP3 5088 35.957 32.520 -15.938 1.00 0.00 WT3 O ATOM 42365 H1 TIP3 5088 35.838 33.377 -15.528 1.00 0.00 WT3 H ATOM 42366 H2 TIP3 5088 35.149 32.046 -15.741 1.00 0.00 WT3 H ATOM 42367 OH2 TIP3 5092 85.464 89.034 -14.485 1.00 0.00 WT3 O ATOM 42368 H1 TIP3 5092 86.143 88.364 -14.406 1.00 0.00 WT3 H ATOM 42369 H2 TIP3 5092 85.407 89.422 -13.612 1.00 0.00 WT3 H ATOM 42370 OH2 TIP3 5094 56.012 93.545 55.496 1.00 0.00 WT3 O ATOM 42371 H1 TIP3 5094 55.654 92.768 55.068 1.00 0.00 WT3 H ATOM 42372 H2 TIP3 5094 55.467 94.266 55.179 1.00 0.00 WT3 H ATOM 42373 OH2 TIP3 5098 30.242 82.821 29.396 1.00 0.00 WT3 O ATOM 42374 H1 TIP3 5098 30.038 83.419 28.678 1.00 0.00 WT3 H ATOM 42375 H2 TIP3 5098 29.443 82.308 29.517 1.00 0.00 WT3 H ATOM 42376 OH2 TIP3 5105 56.688 84.134 -6.937 1.00 0.00 WT3 O ATOM 42377 H1 TIP3 5105 56.352 84.424 -6.089 1.00 0.00 WT3 H ATOM 42378 H2 TIP3 5105 55.916 83.816 -7.405 1.00 0.00 WT3 H ATOM 42379 OH2 TIP3 5114 73.007 28.771 0.471 1.00 0.00 WT3 O ATOM 42380 H1 TIP3 5114 72.098 28.528 0.648 1.00 0.00 WT3 H ATOM 42381 H2 TIP3 5114 73.504 28.384 1.192 1.00 0.00 WT3 H ATOM 42382 OH2 TIP3 5115 48.009 3.648 39.620 1.00 0.00 WT3 O ATOM 42383 H1 TIP3 5115 48.062 2.694 39.569 1.00 0.00 WT3 H ATOM 42384 H2 TIP3 5115 48.005 3.937 38.708 1.00 0.00 WT3 H ATOM 42385 OH2 TIP3 5116 82.295 35.476 24.419 1.00 0.00 WT3 O ATOM 42386 H1 TIP3 5116 81.684 36.204 24.304 1.00 0.00 WT3 H ATOM 42387 H2 TIP3 5116 82.809 35.465 23.611 1.00 0.00 WT3 H ATOM 42388 OH2 TIP3 5118 67.926 33.328 -6.945 1.00 0.00 WT3 O ATOM 42389 H1 TIP3 5118 68.114 33.730 -6.097 1.00 0.00 WT3 H ATOM 42390 H2 TIP3 5118 67.981 34.050 -7.570 1.00 0.00 WT3 H ATOM 42391 OH2 TIP3 5124 55.883 15.362 -6.342 1.00 0.00 WT3 O ATOM 42392 H1 TIP3 5124 55.740 14.433 -6.164 1.00 0.00 WT3 H ATOM 42393 H2 TIP3 5124 56.503 15.375 -7.072 1.00 0.00 WT3 H ATOM 42394 OH2 TIP3 5133 34.995 10.357 49.453 1.00 0.00 WT3 O ATOM 42395 H1 TIP3 5133 35.044 10.091 50.371 1.00 0.00 WT3 H ATOM 42396 H2 TIP3 5133 35.572 11.119 49.394 1.00 0.00 WT3 H ATOM 42397 OH2 TIP3 5134 39.433 60.637 9.721 1.00 0.00 WT3 O ATOM 42398 H1 TIP3 5134 40.118 60.357 10.328 1.00 0.00 WT3 H ATOM 42399 H2 TIP3 5134 39.793 60.456 8.853 1.00 0.00 WT3 H ATOM 42400 OH2 TIP3 5164 41.434 78.341 19.175 1.00 0.00 WT3 O ATOM 42401 H1 TIP3 5164 41.539 77.427 19.439 1.00 0.00 WT3 H ATOM 42402 H2 TIP3 5164 42.254 78.762 19.434 1.00 0.00 WT3 H ATOM 42403 OH2 TIP3 5166 75.697 76.061 59.712 1.00 0.00 WT3 O ATOM 42404 H1 TIP3 5166 75.587 75.995 58.764 1.00 0.00 WT3 H ATOM 42405 H2 TIP3 5166 75.169 75.345 60.065 1.00 0.00 WT3 H ATOM 42406 OH2 TIP3 5193 37.413 87.182 21.732 1.00 0.00 WT3 O ATOM 42407 H1 TIP3 5193 38.184 86.618 21.791 1.00 0.00 WT3 H ATOM 42408 H2 TIP3 5193 36.677 86.605 21.936 1.00 0.00 WT3 H ATOM 42409 OH2 TIP3 5195 42.520 53.098 5.852 1.00 0.00 WT3 O ATOM 42410 H1 TIP3 5195 43.007 53.230 6.665 1.00 0.00 WT3 H ATOM 42411 H2 TIP3 5195 42.332 52.159 5.835 1.00 0.00 WT3 H ATOM 42412 OH2 TIP3 5234 77.198 62.695 2.052 1.00 0.00 WT3 O ATOM 42413 H1 TIP3 5234 77.038 62.368 2.938 1.00 0.00 WT3 H ATOM 42414 H2 TIP3 5234 77.806 62.063 1.669 1.00 0.00 WT3 H ATOM 42415 OH2 TIP3 5251 30.256 85.176 -6.567 1.00 0.00 WT3 O ATOM 42416 H1 TIP3 5251 30.577 85.297 -5.673 1.00 0.00 WT3 H ATOM 42417 H2 TIP3 5251 30.920 85.588 -7.118 1.00 0.00 WT3 H ATOM 42418 OH2 TIP3 5252 83.933 6.753 49.794 1.00 0.00 WT3 O ATOM 42419 H1 TIP3 5252 84.529 6.939 49.068 1.00 0.00 WT3 H ATOM 42420 H2 TIP3 5252 83.273 7.445 49.746 1.00 0.00 WT3 H ATOM 42421 OH2 TIP3 5259 76.688 8.863 46.480 1.00 0.00 WT3 O ATOM 42422 H1 TIP3 5259 76.370 9.651 46.920 1.00 0.00 WT3 H ATOM 42423 H2 TIP3 5259 76.890 9.150 45.590 1.00 0.00 WT3 H ATOM 42424 OH2 TIP3 5271 21.207 15.537 7.247 1.00 0.00 WT3 O ATOM 42425 H1 TIP3 5271 21.969 16.104 7.124 1.00 0.00 WT3 H ATOM 42426 H2 TIP3 5271 20.539 15.903 6.667 1.00 0.00 WT3 H ATOM 42427 OH2 TIP3 5272 88.900 37.133 46.532 1.00 0.00 WT3 O ATOM 42428 H1 TIP3 5272 89.765 37.240 46.136 1.00 0.00 WT3 H ATOM 42429 H2 TIP3 5272 88.929 37.674 47.321 1.00 0.00 WT3 H ATOM 42430 OH2 TIP3 5284 62.681 73.341 15.302 1.00 0.00 WT3 O ATOM 42431 H1 TIP3 5284 61.834 73.354 14.858 1.00 0.00 WT3 H ATOM 42432 H2 TIP3 5284 63.248 72.831 14.724 1.00 0.00 WT3 H ATOM 42433 OH2 TIP3 5286 89.369 76.291 35.460 1.00 0.00 WT3 O ATOM 42434 H1 TIP3 5286 89.557 75.801 36.261 1.00 0.00 WT3 H ATOM 42435 H2 TIP3 5286 90.227 76.443 35.065 1.00 0.00 WT3 H ATOM 42436 OH2 TIP3 5296 75.502 57.313 44.884 1.00 0.00 WT3 O ATOM 42437 H1 TIP3 5296 75.088 56.677 44.301 1.00 0.00 WT3 H ATOM 42438 H2 TIP3 5296 74.801 57.926 45.106 1.00 0.00 WT3 H ATOM 42439 OH2 TIP3 5302 33.531 2.949 4.158 1.00 0.00 WT3 O ATOM 42440 H1 TIP3 5302 34.329 3.008 3.631 1.00 0.00 WT3 H ATOM 42441 H2 TIP3 5302 33.346 3.852 4.416 1.00 0.00 WT3 H ATOM 42442 OH2 TIP3 5304 52.500 43.480 -16.402 1.00 0.00 WT3 O ATOM 42443 H1 TIP3 5304 52.078 44.316 -16.203 1.00 0.00 WT3 H ATOM 42444 H2 TIP3 5304 52.645 43.504 -17.348 1.00 0.00 WT3 H ATOM 42445 OH2 TIP3 5306 60.575 56.511 18.006 1.00 0.00 WT3 O ATOM 42446 H1 TIP3 5306 60.820 55.715 17.535 1.00 0.00 WT3 H ATOM 42447 H2 TIP3 5306 59.706 56.730 17.671 1.00 0.00 WT3 H ATOM 42448 OH2 TIP3 5309 70.741 64.654 31.997 1.00 0.00 WT3 O ATOM 42449 H1 TIP3 5309 70.302 63.948 31.523 1.00 0.00 WT3 H ATOM 42450 H2 TIP3 5309 71.507 64.237 32.392 1.00 0.00 WT3 H ATOM 42451 OH2 TIP3 5314 55.785 83.111 53.799 1.00 0.00 WT3 O ATOM 42452 H1 TIP3 5314 54.951 83.099 54.268 1.00 0.00 WT3 H ATOM 42453 H2 TIP3 5314 55.933 82.198 53.550 1.00 0.00 WT3 H ATOM 42454 OH2 TIP3 5317 83.000 25.708 55.725 1.00 0.00 WT3 O ATOM 42455 H1 TIP3 5317 83.016 26.058 54.834 1.00 0.00 WT3 H ATOM 42456 H2 TIP3 5317 82.130 25.933 56.055 1.00 0.00 WT3 H ATOM 42457 OH2 TIP3 5318 55.692 95.711 23.992 1.00 0.00 WT3 O ATOM 42458 H1 TIP3 5318 55.636 95.136 24.755 1.00 0.00 WT3 H ATOM 42459 H2 TIP3 5318 55.773 95.115 23.248 1.00 0.00 WT3 H ATOM 42460 OH2 TIP3 5319 69.395 63.313 -1.214 1.00 0.00 WT3 O ATOM 42461 H1 TIP3 5319 68.572 62.914 -0.932 1.00 0.00 WT3 H ATOM 42462 H2 TIP3 5319 69.906 62.585 -1.568 1.00 0.00 WT3 H ATOM 42463 OH2 TIP3 5320 31.303 58.554 -15.847 1.00 0.00 WT3 O ATOM 42464 H1 TIP3 5320 31.957 58.400 -15.164 1.00 0.00 WT3 H ATOM 42465 H2 TIP3 5320 31.650 59.292 -16.348 1.00 0.00 WT3 H ATOM 42466 OH2 TIP3 5323 23.299 50.134 11.002 1.00 0.00 WT3 O ATOM 42467 H1 TIP3 5323 23.887 50.887 11.050 1.00 0.00 WT3 H ATOM 42468 H2 TIP3 5323 23.680 49.493 11.602 1.00 0.00 WT3 H ATOM 42469 OH2 TIP3 5328 46.553 22.132 48.296 1.00 0.00 WT3 O ATOM 42470 H1 TIP3 5328 46.662 23.074 48.166 1.00 0.00 WT3 H ATOM 42471 H2 TIP3 5328 45.862 21.883 47.682 1.00 0.00 WT3 H ATOM 42472 OH2 TIP3 5331 74.784 60.166 41.611 1.00 0.00 WT3 O ATOM 42473 H1 TIP3 5331 73.881 60.219 41.298 1.00 0.00 WT3 H ATOM 42474 H2 TIP3 5331 74.714 60.248 42.562 1.00 0.00 WT3 H ATOM 42475 OH2 TIP3 5332 73.618 79.348 47.829 1.00 0.00 WT3 O ATOM 42476 H1 TIP3 5332 72.989 78.753 47.420 1.00 0.00 WT3 H ATOM 42477 H2 TIP3 5332 73.790 80.012 47.162 1.00 0.00 WT3 H ATOM 42478 OH2 TIP3 5334 63.063 70.848 17.222 1.00 0.00 WT3 O ATOM 42479 H1 TIP3 5334 63.021 70.268 17.982 1.00 0.00 WT3 H ATOM 42480 H2 TIP3 5334 62.488 70.438 16.575 1.00 0.00 WT3 H ATOM 42481 OH2 TIP3 5338 48.971 59.122 51.529 1.00 0.00 WT3 O ATOM 42482 H1 TIP3 5338 49.627 58.682 50.987 1.00 0.00 WT3 H ATOM 42483 H2 TIP3 5338 48.752 59.917 51.042 1.00 0.00 WT3 H ATOM 42484 OH2 TIP3 5341 26.927 87.118 46.912 1.00 0.00 WT3 O ATOM 42485 H1 TIP3 5341 27.368 87.600 46.212 1.00 0.00 WT3 H ATOM 42486 H2 TIP3 5341 26.754 87.777 47.584 1.00 0.00 WT3 H ATOM 42487 OH2 TIP3 5350 46.305 42.740 13.264 1.00 0.00 WT3 O ATOM 42488 H1 TIP3 5350 45.656 43.107 13.865 1.00 0.00 WT3 H ATOM 42489 H2 TIP3 5350 46.419 41.836 13.557 1.00 0.00 WT3 H ATOM 42490 OH2 TIP3 5351 72.967 68.757 -2.074 1.00 0.00 WT3 O ATOM 42491 H1 TIP3 5351 72.375 68.771 -1.322 1.00 0.00 WT3 H ATOM 42492 H2 TIP3 5351 73.732 69.254 -1.787 1.00 0.00 WT3 H ATOM 42493 OH2 TIP3 5354 29.046 82.664 42.285 1.00 0.00 WT3 O ATOM 42494 H1 TIP3 5354 29.585 82.181 42.912 1.00 0.00 WT3 H ATOM 42495 H2 TIP3 5354 28.228 82.169 42.240 1.00 0.00 WT3 H ATOM 42496 OH2 TIP3 5355 40.516 22.053 -2.481 1.00 0.00 WT3 O ATOM 42497 H1 TIP3 5355 40.314 21.374 -1.837 1.00 0.00 WT3 H ATOM 42498 H2 TIP3 5355 41.401 21.845 -2.779 1.00 0.00 WT3 H ATOM 42499 OH2 TIP3 5356 51.480 43.570 53.609 1.00 0.00 WT3 O ATOM 42500 H1 TIP3 5356 50.532 43.695 53.634 1.00 0.00 WT3 H ATOM 42501 H2 TIP3 5356 51.635 43.073 52.806 1.00 0.00 WT3 H ATOM 42502 OH2 TIP3 5357 32.005 71.703 11.832 1.00 0.00 WT3 O ATOM 42503 H1 TIP3 5357 31.894 72.639 11.669 1.00 0.00 WT3 H ATOM 42504 H2 TIP3 5357 32.601 71.659 12.580 1.00 0.00 WT3 H ATOM 42505 OH2 TIP3 5358 22.887 36.355 -16.222 1.00 0.00 WT3 O ATOM 42506 H1 TIP3 5358 23.097 35.449 -16.446 1.00 0.00 WT3 H ATOM 42507 H2 TIP3 5358 22.475 36.300 -15.360 1.00 0.00 WT3 H ATOM 42508 OH2 TIP3 5359 55.716 18.827 -12.538 1.00 0.00 WT3 O ATOM 42509 H1 TIP3 5359 56.106 18.089 -12.070 1.00 0.00 WT3 H ATOM 42510 H2 TIP3 5359 56.455 19.256 -12.969 1.00 0.00 WT3 H ATOM 42511 OH2 TIP3 5360 41.368 84.057 22.017 1.00 0.00 WT3 O ATOM 42512 H1 TIP3 5360 41.993 84.513 21.453 1.00 0.00 WT3 H ATOM 42513 H2 TIP3 5360 41.812 83.245 22.260 1.00 0.00 WT3 H ATOM 42514 OH2 TIP3 5363 32.059 28.469 52.699 1.00 0.00 WT3 O ATOM 42515 H1 TIP3 5363 31.951 27.695 53.251 1.00 0.00 WT3 H ATOM 42516 H2 TIP3 5363 31.209 28.580 52.272 1.00 0.00 WT3 H ATOM 42517 OH2 TIP3 5364 65.730 2.074 55.164 1.00 0.00 WT3 O ATOM 42518 H1 TIP3 5364 66.561 1.854 55.584 1.00 0.00 WT3 H ATOM 42519 H2 TIP3 5364 65.568 1.352 54.557 1.00 0.00 WT3 H ATOM 42520 OH2 TIP3 5369 54.198 62.570 -19.061 1.00 0.00 WT3 O ATOM 42521 H1 TIP3 5369 53.983 63.158 -19.785 1.00 0.00 WT3 H ATOM 42522 H2 TIP3 5369 54.205 61.697 -19.454 1.00 0.00 WT3 H ATOM 42523 OH2 TIP3 5370 85.525 84.024 3.598 1.00 0.00 WT3 O ATOM 42524 H1 TIP3 5370 85.503 83.305 2.967 1.00 0.00 WT3 H ATOM 42525 H2 TIP3 5370 85.534 83.593 4.453 1.00 0.00 WT3 H ATOM 42526 OH2 TIP3 5371 68.260 64.905 33.413 1.00 0.00 WT3 O ATOM 42527 H1 TIP3 5371 68.766 65.399 32.767 1.00 0.00 WT3 H ATOM 42528 H2 TIP3 5371 67.402 65.328 33.420 1.00 0.00 WT3 H ATOM 42529 OH2 TIP3 5372 40.918 65.500 44.873 1.00 0.00 WT3 O ATOM 42530 H1 TIP3 5372 41.158 66.223 44.294 1.00 0.00 WT3 H ATOM 42531 H2 TIP3 5372 40.140 65.810 45.336 1.00 0.00 WT3 H ATOM 42532 OH2 TIP3 5374 33.982 83.505 56.331 1.00 0.00 WT3 O ATOM 42533 H1 TIP3 5374 33.084 83.296 56.590 1.00 0.00 WT3 H ATOM 42534 H2 TIP3 5374 33.884 84.117 55.601 1.00 0.00 WT3 H ATOM 42535 OH2 TIP3 5375 35.716 53.640 -8.538 1.00 0.00 WT3 O ATOM 42536 H1 TIP3 5375 35.619 52.917 -7.918 1.00 0.00 WT3 H ATOM 42537 H2 TIP3 5375 34.856 54.058 -8.557 1.00 0.00 WT3 H ATOM 42538 OH2 TIP3 5376 41.011 8.059 24.530 1.00 0.00 WT3 O ATOM 42539 H1 TIP3 5376 40.654 8.096 23.642 1.00 0.00 WT3 H ATOM 42540 H2 TIP3 5376 41.017 8.969 24.825 1.00 0.00 WT3 H ATOM 42541 OH2 TIP3 5377 38.672 71.737 61.048 1.00 0.00 WT3 O ATOM 42542 H1 TIP3 5377 39.101 71.497 61.869 1.00 0.00 WT3 H ATOM 42543 H2 TIP3 5377 39.228 72.424 60.679 1.00 0.00 WT3 H ATOM 42544 OH2 TIP3 5378 41.059 57.139 3.705 1.00 0.00 WT3 O ATOM 42545 H1 TIP3 5378 40.863 56.528 4.416 1.00 0.00 WT3 H ATOM 42546 H2 TIP3 5378 41.903 57.521 3.943 1.00 0.00 WT3 H ATOM 42547 OH2 TIP3 5379 81.185 74.114 -10.700 1.00 0.00 WT3 O ATOM 42548 H1 TIP3 5379 82.028 74.536 -10.866 1.00 0.00 WT3 H ATOM 42549 H2 TIP3 5379 80.979 74.339 -9.793 1.00 0.00 WT3 H ATOM 42550 OH2 TIP3 5380 51.226 79.276 -3.461 1.00 0.00 WT3 O ATOM 42551 H1 TIP3 5380 50.604 79.488 -2.765 1.00 0.00 WT3 H ATOM 42552 H2 TIP3 5380 51.399 78.342 -3.351 1.00 0.00 WT3 H ATOM 42553 OH2 TIP3 5381 45.092 46.094 -10.048 1.00 0.00 WT3 O ATOM 42554 H1 TIP3 5381 45.973 46.468 -10.087 1.00 0.00 WT3 H ATOM 42555 H2 TIP3 5381 44.562 46.773 -9.631 1.00 0.00 WT3 H ATOM 42556 OH2 TIP3 5382 68.591 4.627 62.349 1.00 0.00 WT3 O ATOM 42557 H1 TIP3 5382 69.434 4.370 61.974 1.00 0.00 WT3 H ATOM 42558 H2 TIP3 5382 68.272 3.837 62.785 1.00 0.00 WT3 H ATOM 42559 OH2 TIP3 5383 46.035 50.782 8.988 1.00 0.00 WT3 O ATOM 42560 H1 TIP3 5383 46.853 50.539 8.554 1.00 0.00 WT3 H ATOM 42561 H2 TIP3 5383 46.274 51.513 9.558 1.00 0.00 WT3 H ATOM 42562 OH2 TIP3 5384 69.493 60.522 -13.174 1.00 0.00 WT3 O ATOM 42563 H1 TIP3 5384 69.998 60.534 -13.987 1.00 0.00 WT3 H ATOM 42564 H2 TIP3 5384 70.086 60.139 -12.528 1.00 0.00 WT3 H ATOM 42565 OH2 TIP3 5385 30.965 52.568 56.160 1.00 0.00 WT3 O ATOM 42566 H1 TIP3 5385 30.825 51.763 55.662 1.00 0.00 WT3 H ATOM 42567 H2 TIP3 5385 30.616 53.261 55.600 1.00 0.00 WT3 H ATOM 42568 OH2 TIP3 5388 57.289 80.239 50.296 1.00 0.00 WT3 O ATOM 42569 H1 TIP3 5388 57.448 80.243 49.352 1.00 0.00 WT3 H ATOM 42570 H2 TIP3 5388 57.363 81.157 50.556 1.00 0.00 WT3 H ATOM 42571 OH2 TIP3 5389 39.033 55.195 32.598 1.00 0.00 WT3 O ATOM 42572 H1 TIP3 5389 38.270 54.857 32.129 1.00 0.00 WT3 H ATOM 42573 H2 TIP3 5389 39.234 56.024 32.162 1.00 0.00 WT3 H ATOM 42574 OH2 TIP3 5390 33.327 69.245 57.650 1.00 0.00 WT3 O ATOM 42575 H1 TIP3 5390 33.558 69.234 56.721 1.00 0.00 WT3 H ATOM 42576 H2 TIP3 5390 32.925 68.391 57.808 1.00 0.00 WT3 H ATOM 42577 OH2 TIP3 5392 84.869 15.287 40.118 1.00 0.00 WT3 O ATOM 42578 H1 TIP3 5392 84.112 15.776 40.441 1.00 0.00 WT3 H ATOM 42579 H2 TIP3 5392 85.543 15.420 40.785 1.00 0.00 WT3 H ATOM 42580 OH2 TIP3 5393 83.066 7.075 -14.181 1.00 0.00 WT3 O ATOM 42581 H1 TIP3 5393 83.712 7.634 -14.613 1.00 0.00 WT3 H ATOM 42582 H2 TIP3 5393 83.233 7.194 -13.246 1.00 0.00 WT3 H ATOM 42583 OH2 TIP3 5394 56.637 80.046 -5.898 1.00 0.00 WT3 O ATOM 42584 H1 TIP3 5394 57.072 79.533 -6.579 1.00 0.00 WT3 H ATOM 42585 H2 TIP3 5394 56.266 79.392 -5.306 1.00 0.00 WT3 H ATOM 42586 OH2 TIP3 5396 76.631 96.045 2.519 1.00 0.00 WT3 O ATOM 42587 H1 TIP3 5396 76.085 96.736 2.143 1.00 0.00 WT3 H ATOM 42588 H2 TIP3 5396 76.419 96.055 3.453 1.00 0.00 WT3 H ATOM 42589 OH2 TIP3 5397 54.975 47.061 57.645 1.00 0.00 WT3 O ATOM 42590 H1 TIP3 5397 54.706 47.012 58.562 1.00 0.00 WT3 H ATOM 42591 H2 TIP3 5397 55.442 47.894 57.576 1.00 0.00 WT3 H ATOM 42592 OH2 TIP3 5398 37.718 83.735 -9.952 1.00 0.00 WT3 O ATOM 42593 H1 TIP3 5398 37.122 84.070 -10.622 1.00 0.00 WT3 H ATOM 42594 H2 TIP3 5398 37.447 82.827 -9.821 1.00 0.00 WT3 H ATOM 42595 OH2 TIP3 5399 30.549 95.469 55.971 1.00 0.00 WT3 O ATOM 42596 H1 TIP3 5399 30.288 95.647 55.068 1.00 0.00 WT3 H ATOM 42597 H2 TIP3 5399 31.301 96.041 56.121 1.00 0.00 WT3 H ATOM 42598 OH2 TIP3 5400 25.508 18.066 -3.035 1.00 0.00 WT3 O ATOM 42599 H1 TIP3 5400 25.329 18.968 -2.767 1.00 0.00 WT3 H ATOM 42600 H2 TIP3 5400 25.156 17.531 -2.323 1.00 0.00 WT3 H ATOM 42601 OH2 TIP3 5401 62.333 80.433 30.438 1.00 0.00 WT3 O ATOM 42602 H1 TIP3 5401 61.802 80.341 31.229 1.00 0.00 WT3 H ATOM 42603 H2 TIP3 5401 62.732 79.572 30.315 1.00 0.00 WT3 H ATOM 42604 OH2 TIP3 5402 84.808 57.513 -18.703 1.00 0.00 WT3 O ATOM 42605 H1 TIP3 5402 84.531 56.631 -18.952 1.00 0.00 WT3 H ATOM 42606 H2 TIP3 5402 85.462 57.753 -19.359 1.00 0.00 WT3 H ATOM 42607 OH2 TIP3 5404 44.823 89.953 11.617 1.00 0.00 WT3 O ATOM 42608 H1 TIP3 5404 44.309 90.254 12.366 1.00 0.00 WT3 H ATOM 42609 H2 TIP3 5404 45.722 89.910 11.944 1.00 0.00 WT3 H ATOM 42610 OH2 TIP3 5408 83.542 72.389 3.717 1.00 0.00 WT3 O ATOM 42611 H1 TIP3 5408 84.477 72.487 3.537 1.00 0.00 WT3 H ATOM 42612 H2 TIP3 5408 83.493 72.249 4.663 1.00 0.00 WT3 H ATOM 42613 OH2 TIP3 5409 35.435 16.208 52.788 1.00 0.00 WT3 O ATOM 42614 H1 TIP3 5409 35.515 15.304 53.092 1.00 0.00 WT3 H ATOM 42615 H2 TIP3 5409 36.336 16.492 52.636 1.00 0.00 WT3 H ATOM 42616 OH2 TIP3 5413 64.323 18.785 26.499 1.00 0.00 WT3 O ATOM 42617 H1 TIP3 5413 63.766 19.455 26.896 1.00 0.00 WT3 H ATOM 42618 H2 TIP3 5413 63.713 18.107 26.209 1.00 0.00 WT3 H ATOM 42619 OH2 TIP3 5414 21.297 75.785 0.857 1.00 0.00 WT3 O ATOM 42620 H1 TIP3 5414 21.114 74.866 1.052 1.00 0.00 WT3 H ATOM 42621 H2 TIP3 5414 22.069 75.993 1.384 1.00 0.00 WT3 H ATOM 42622 OH2 TIP3 5417 61.055 62.717 50.546 1.00 0.00 WT3 O ATOM 42623 H1 TIP3 5417 61.129 61.801 50.815 1.00 0.00 WT3 H ATOM 42624 H2 TIP3 5417 60.675 62.679 49.668 1.00 0.00 WT3 H ATOM 42625 OH2 TIP3 5418 47.268 0.185 30.132 1.00 0.00 WT3 O ATOM 42626 H1 TIP3 5418 47.782 -0.594 29.919 1.00 0.00 WT3 H ATOM 42627 H2 TIP3 5418 46.734 0.341 29.353 1.00 0.00 WT3 H ATOM 42628 OH2 TIP3 5419 36.699 47.218 49.086 1.00 0.00 WT3 O ATOM 42629 H1 TIP3 5419 37.194 46.402 49.004 1.00 0.00 WT3 H ATOM 42630 H2 TIP3 5419 36.610 47.351 50.029 1.00 0.00 WT3 H ATOM 42631 OH2 TIP3 5420 45.276 2.534 -17.080 1.00 0.00 WT3 O ATOM 42632 H1 TIP3 5420 45.774 2.850 -16.327 1.00 0.00 WT3 H ATOM 42633 H2 TIP3 5420 44.575 2.005 -16.700 1.00 0.00 WT3 H ATOM 42634 OH2 TIP3 5421 45.071 89.144 57.082 1.00 0.00 WT3 O ATOM 42635 H1 TIP3 5421 44.373 88.678 57.542 1.00 0.00 WT3 H ATOM 42636 H2 TIP3 5421 45.704 89.364 57.766 1.00 0.00 WT3 H ATOM 42637 OH2 TIP3 5422 30.355 56.535 9.336 1.00 0.00 WT3 O ATOM 42638 H1 TIP3 5422 29.964 55.768 9.754 1.00 0.00 WT3 H ATOM 42639 H2 TIP3 5422 31.289 56.468 9.536 1.00 0.00 WT3 H ATOM 42640 OH2 TIP3 5423 70.228 78.953 -14.523 1.00 0.00 WT3 O ATOM 42641 H1 TIP3 5423 70.479 78.337 -15.211 1.00 0.00 WT3 H ATOM 42642 H2 TIP3 5423 70.852 79.674 -14.607 1.00 0.00 WT3 H ATOM 42643 OH2 TIP3 5424 69.054 83.610 10.150 1.00 0.00 WT3 O ATOM 42644 H1 TIP3 5424 69.331 84.497 9.918 1.00 0.00 WT3 H ATOM 42645 H2 TIP3 5424 68.120 83.589 9.944 1.00 0.00 WT3 H ATOM 42646 OH2 TIP3 5426 29.464 80.399 -3.284 1.00 0.00 WT3 O ATOM 42647 H1 TIP3 5426 29.324 81.056 -3.965 1.00 0.00 WT3 H ATOM 42648 H2 TIP3 5426 30.151 79.832 -3.635 1.00 0.00 WT3 H ATOM 42649 OH2 TIP3 5427 44.911 24.152 56.382 1.00 0.00 WT3 O ATOM 42650 H1 TIP3 5427 44.540 23.920 55.530 1.00 0.00 WT3 H ATOM 42651 H2 TIP3 5427 45.208 25.055 56.276 1.00 0.00 WT3 H ATOM 42652 OH2 TIP3 5428 62.446 68.355 39.610 1.00 0.00 WT3 O ATOM 42653 H1 TIP3 5428 63.247 68.792 39.323 1.00 0.00 WT3 H ATOM 42654 H2 TIP3 5428 62.093 67.955 38.815 1.00 0.00 WT3 H ATOM 42655 OH2 TIP3 5429 79.141 62.075 25.955 1.00 0.00 WT3 O ATOM 42656 H1 TIP3 5429 78.706 62.697 25.372 1.00 0.00 WT3 H ATOM 42657 H2 TIP3 5429 79.899 62.551 26.293 1.00 0.00 WT3 H ATOM 42658 OH2 TIP3 5430 64.234 56.040 -17.100 1.00 0.00 WT3 O ATOM 42659 H1 TIP3 5430 64.906 55.862 -16.441 1.00 0.00 WT3 H ATOM 42660 H2 TIP3 5430 63.717 56.755 -16.729 1.00 0.00 WT3 H ATOM 42661 OH2 TIP3 5432 64.968 90.247 25.786 1.00 0.00 WT3 O ATOM 42662 H1 TIP3 5432 64.094 90.245 26.177 1.00 0.00 WT3 H ATOM 42663 H2 TIP3 5432 65.459 90.887 26.300 1.00 0.00 WT3 H ATOM 42664 OH2 TIP3 5434 63.465 30.702 65.878 1.00 0.00 WT3 O ATOM 42665 H1 TIP3 5434 62.670 31.215 65.731 1.00 0.00 WT3 H ATOM 42666 H2 TIP3 5434 63.148 29.846 66.164 1.00 0.00 WT3 H ATOM 42667 OH2 TIP3 5436 70.706 19.354 1.869 1.00 0.00 WT3 O ATOM 42668 H1 TIP3 5436 71.521 19.732 2.201 1.00 0.00 WT3 H ATOM 42669 H2 TIP3 5436 70.872 19.205 0.938 1.00 0.00 WT3 H ATOM 42670 OH2 TIP3 5437 27.052 78.840 32.986 1.00 0.00 WT3 O ATOM 42671 H1 TIP3 5437 26.191 79.191 32.755 1.00 0.00 WT3 H ATOM 42672 H2 TIP3 5437 27.411 79.474 33.607 1.00 0.00 WT3 H ATOM 42673 OH2 TIP3 5438 65.446 91.502 23.349 1.00 0.00 WT3 O ATOM 42674 H1 TIP3 5438 66.346 91.719 23.105 1.00 0.00 WT3 H ATOM 42675 H2 TIP3 5438 65.528 90.715 23.888 1.00 0.00 WT3 H ATOM 42676 OH2 TIP3 5440 60.781 54.898 -12.470 1.00 0.00 WT3 O ATOM 42677 H1 TIP3 5440 61.665 54.541 -12.391 1.00 0.00 WT3 H ATOM 42678 H2 TIP3 5440 60.207 54.183 -12.196 1.00 0.00 WT3 H ATOM 42679 OH2 TIP3 5441 84.460 67.301 41.065 1.00 0.00 WT3 O ATOM 42680 H1 TIP3 5441 84.961 66.767 41.681 1.00 0.00 WT3 H ATOM 42681 H2 TIP3 5441 84.932 67.219 40.237 1.00 0.00 WT3 H ATOM 42682 OH2 TIP3 5442 53.999 75.139 47.787 1.00 0.00 WT3 O ATOM 42683 H1 TIP3 5442 54.119 74.897 48.706 1.00 0.00 WT3 H ATOM 42684 H2 TIP3 5442 53.150 74.767 47.550 1.00 0.00 WT3 H ATOM 42685 OH2 TIP3 5443 74.890 47.348 46.586 1.00 0.00 WT3 O ATOM 42686 H1 TIP3 5443 74.638 46.425 46.547 1.00 0.00 WT3 H ATOM 42687 H2 TIP3 5443 74.800 47.581 47.510 1.00 0.00 WT3 H ATOM 42688 OH2 TIP3 5444 36.734 15.014 -10.539 1.00 0.00 WT3 O ATOM 42689 H1 TIP3 5444 36.273 14.241 -10.211 1.00 0.00 WT3 H ATOM 42690 H2 TIP3 5444 36.086 15.717 -10.494 1.00 0.00 WT3 H ATOM 42691 OH2 TIP3 5446 73.824 83.868 18.784 1.00 0.00 WT3 O ATOM 42692 H1 TIP3 5446 73.359 84.001 17.957 1.00 0.00 WT3 H ATOM 42693 H2 TIP3 5446 73.130 83.751 19.433 1.00 0.00 WT3 H ATOM 42694 OH2 TIP3 5447 85.768 58.744 -9.196 1.00 0.00 WT3 O ATOM 42695 H1 TIP3 5447 85.643 58.005 -9.790 1.00 0.00 WT3 H ATOM 42696 H2 TIP3 5447 86.594 58.557 -8.750 1.00 0.00 WT3 H ATOM 42697 OH2 TIP3 5448 54.989 10.953 -8.808 1.00 0.00 WT3 O ATOM 42698 H1 TIP3 5448 54.117 11.116 -9.166 1.00 0.00 WT3 H ATOM 42699 H2 TIP3 5448 55.520 10.719 -9.569 1.00 0.00 WT3 H ATOM 42700 OH2 TIP3 5449 87.435 74.919 38.857 1.00 0.00 WT3 O ATOM 42701 H1 TIP3 5449 87.063 74.437 38.118 1.00 0.00 WT3 H ATOM 42702 H2 TIP3 5449 87.581 75.802 38.518 1.00 0.00 WT3 H ATOM 42703 OH2 TIP3 5450 85.485 47.016 22.849 1.00 0.00 WT3 O ATOM 42704 H1 TIP3 5450 85.352 46.090 23.050 1.00 0.00 WT3 H ATOM 42705 H2 TIP3 5450 85.053 47.143 22.005 1.00 0.00 WT3 H ATOM 42706 OH2 TIP3 5451 70.708 25.445 55.318 1.00 0.00 WT3 O ATOM 42707 H1 TIP3 5451 71.261 26.225 55.345 1.00 0.00 WT3 H ATOM 42708 H2 TIP3 5451 70.060 25.634 54.639 1.00 0.00 WT3 H ATOM 42709 OH2 TIP3 5452 60.083 43.449 -19.852 1.00 0.00 WT3 O ATOM 42710 H1 TIP3 5452 59.397 42.919 -19.447 1.00 0.00 WT3 H ATOM 42711 H2 TIP3 5452 59.632 44.241 -20.147 1.00 0.00 WT3 H ATOM 42712 OH2 TIP3 5453 60.518 69.182 64.976 1.00 0.00 WT3 O ATOM 42713 H1 TIP3 5453 59.739 69.304 65.518 1.00 0.00 WT3 H ATOM 42714 H2 TIP3 5453 61.227 69.042 65.602 1.00 0.00 WT3 H ATOM 42715 OH2 TIP3 5455 30.589 69.083 -17.285 1.00 0.00 WT3 O ATOM 42716 H1 TIP3 5455 30.831 68.974 -18.205 1.00 0.00 WT3 H ATOM 42717 H2 TIP3 5455 29.869 68.466 -17.152 1.00 0.00 WT3 H ATOM 42718 OH2 TIP3 5456 48.542 19.641 3.523 1.00 0.00 WT3 O ATOM 42719 H1 TIP3 5456 48.181 19.065 4.196 1.00 0.00 WT3 H ATOM 42720 H2 TIP3 5456 49.053 20.288 4.009 1.00 0.00 WT3 H ATOM 42721 OH2 TIP3 5457 82.145 39.186 37.219 1.00 0.00 WT3 O ATOM 42722 H1 TIP3 5457 82.129 39.178 38.176 1.00 0.00 WT3 H ATOM 42723 H2 TIP3 5457 82.056 38.266 36.970 1.00 0.00 WT3 H ATOM 42724 OH2 TIP3 5458 61.205 46.898 52.834 1.00 0.00 WT3 O ATOM 42725 H1 TIP3 5458 61.893 46.873 52.168 1.00 0.00 WT3 H ATOM 42726 H2 TIP3 5458 60.884 45.997 52.881 1.00 0.00 WT3 H ATOM 42727 OH2 TIP3 5459 68.354 72.511 64.783 1.00 0.00 WT3 O ATOM 42728 H1 TIP3 5459 67.612 72.878 65.264 1.00 0.00 WT3 H ATOM 42729 H2 TIP3 5459 67.962 72.102 64.012 1.00 0.00 WT3 H ATOM 42730 OH2 TIP3 5460 60.918 74.132 0.367 1.00 0.00 WT3 O ATOM 42731 H1 TIP3 5460 60.689 74.429 -0.513 1.00 0.00 WT3 H ATOM 42732 H2 TIP3 5460 60.112 74.235 0.872 1.00 0.00 WT3 H ATOM 42733 OH2 TIP3 5461 33.363 66.119 -18.093 1.00 0.00 WT3 O ATOM 42734 H1 TIP3 5461 33.958 66.527 -17.464 1.00 0.00 WT3 H ATOM 42735 H2 TIP3 5461 33.186 65.252 -17.728 1.00 0.00 WT3 H ATOM 42736 OH2 TIP3 5462 52.756 19.069 47.868 1.00 0.00 WT3 O ATOM 42737 H1 TIP3 5462 53.467 18.945 47.239 1.00 0.00 WT3 H ATOM 42738 H2 TIP3 5462 53.074 18.661 48.674 1.00 0.00 WT3 H ATOM 42739 OH2 TIP3 5463 71.459 71.870 15.801 1.00 0.00 WT3 O ATOM 42740 H1 TIP3 5463 71.399 72.472 16.543 1.00 0.00 WT3 H ATOM 42741 H2 TIP3 5463 70.765 72.153 15.206 1.00 0.00 WT3 H ATOM 42742 OH2 TIP3 5464 84.639 81.140 15.149 1.00 0.00 WT3 O ATOM 42743 H1 TIP3 5464 84.811 82.044 14.887 1.00 0.00 WT3 H ATOM 42744 H2 TIP3 5464 84.106 81.217 15.940 1.00 0.00 WT3 H ATOM 42745 OH2 TIP3 5465 51.147 26.847 41.226 1.00 0.00 WT3 O ATOM 42746 H1 TIP3 5465 50.367 26.738 40.683 1.00 0.00 WT3 H ATOM 42747 H2 TIP3 5465 51.748 26.167 40.922 1.00 0.00 WT3 H ATOM 42748 OH2 TIP3 5466 27.403 31.035 26.614 1.00 0.00 WT3 O ATOM 42749 H1 TIP3 5466 26.492 30.845 26.390 1.00 0.00 WT3 H ATOM 42750 H2 TIP3 5466 27.913 30.622 25.917 1.00 0.00 WT3 H ATOM 42751 OH2 TIP3 5469 82.460 38.792 -13.564 1.00 0.00 WT3 O ATOM 42752 H1 TIP3 5469 83.327 38.587 -13.215 1.00 0.00 WT3 H ATOM 42753 H2 TIP3 5469 82.050 39.331 -12.887 1.00 0.00 WT3 H ATOM 42754 OH2 TIP3 5470 62.013 75.182 -19.698 1.00 0.00 WT3 O ATOM 42755 H1 TIP3 5470 61.373 74.552 -20.029 1.00 0.00 WT3 H ATOM 42756 H2 TIP3 5470 62.051 75.015 -18.757 1.00 0.00 WT3 H ATOM 42757 OH2 TIP3 5471 46.399 78.955 54.644 1.00 0.00 WT3 O ATOM 42758 H1 TIP3 5471 46.952 79.670 54.959 1.00 0.00 WT3 H ATOM 42759 H2 TIP3 5471 46.689 78.805 53.744 1.00 0.00 WT3 H ATOM 42760 OH2 TIP3 5472 58.196 2.858 -0.017 1.00 0.00 WT3 O ATOM 42761 H1 TIP3 5472 58.902 2.636 0.589 1.00 0.00 WT3 H ATOM 42762 H2 TIP3 5472 57.404 2.528 0.406 1.00 0.00 WT3 H ATOM 42763 OH2 TIP3 5473 54.157 87.968 24.548 1.00 0.00 WT3 O ATOM 42764 H1 TIP3 5473 54.711 87.199 24.414 1.00 0.00 WT3 H ATOM 42765 H2 TIP3 5473 54.106 88.381 23.686 1.00 0.00 WT3 H ATOM 42766 OH2 TIP3 5474 59.210 2.965 -12.941 1.00 0.00 WT3 O ATOM 42767 H1 TIP3 5474 59.250 3.194 -13.870 1.00 0.00 WT3 H ATOM 42768 H2 TIP3 5474 59.701 2.147 -12.874 1.00 0.00 WT3 H ATOM 42769 OH2 TIP3 5476 42.259 88.832 3.117 1.00 0.00 WT3 O ATOM 42770 H1 TIP3 5476 41.721 89.440 3.623 1.00 0.00 WT3 H ATOM 42771 H2 TIP3 5476 43.157 89.025 3.386 1.00 0.00 WT3 H ATOM 42772 OH2 TIP3 5477 49.520 69.512 47.481 1.00 0.00 WT3 O ATOM 42773 H1 TIP3 5477 49.322 68.743 48.016 1.00 0.00 WT3 H ATOM 42774 H2 TIP3 5477 49.236 69.271 46.600 1.00 0.00 WT3 H ATOM 42775 OH2 TIP3 5478 62.177 67.439 36.977 1.00 0.00 WT3 O ATOM 42776 H1 TIP3 5478 62.347 66.588 36.573 1.00 0.00 WT3 H ATOM 42777 H2 TIP3 5478 61.285 67.659 36.707 1.00 0.00 WT3 H ATOM 42778 OH2 TIP3 5479 88.785 61.422 -14.619 1.00 0.00 WT3 O ATOM 42779 H1 TIP3 5479 87.909 61.719 -14.864 1.00 0.00 WT3 H ATOM 42780 H2 TIP3 5479 88.866 61.649 -13.693 1.00 0.00 WT3 H ATOM 42781 OH2 TIP3 5480 65.092 71.432 29.754 1.00 0.00 WT3 O ATOM 42782 H1 TIP3 5480 64.719 70.551 29.727 1.00 0.00 WT3 H ATOM 42783 H2 TIP3 5480 64.356 72.011 29.553 1.00 0.00 WT3 H ATOM 42784 OH2 TIP3 5481 59.880 80.191 37.735 1.00 0.00 WT3 O ATOM 42785 H1 TIP3 5481 59.930 80.194 38.691 1.00 0.00 WT3 H ATOM 42786 H2 TIP3 5481 59.818 79.265 37.501 1.00 0.00 WT3 H ATOM 42787 OH2 TIP3 5482 66.030 25.840 60.342 1.00 0.00 WT3 O ATOM 42788 H1 TIP3 5482 66.631 25.670 59.617 1.00 0.00 WT3 H ATOM 42789 H2 TIP3 5482 65.164 25.860 59.935 1.00 0.00 WT3 H ATOM 42790 OH2 TIP3 5484 25.303 82.447 36.897 1.00 0.00 WT3 O ATOM 42791 H1 TIP3 5484 24.413 82.266 36.595 1.00 0.00 WT3 H ATOM 42792 H2 TIP3 5484 25.828 82.471 36.097 1.00 0.00 WT3 H ATOM 42793 OH2 TIP3 5485 89.570 76.091 -2.138 1.00 0.00 WT3 O ATOM 42794 H1 TIP3 5485 88.718 76.205 -1.716 1.00 0.00 WT3 H ATOM 42795 H2 TIP3 5485 89.554 75.193 -2.470 1.00 0.00 WT3 H ATOM 42796 OH2 TIP3 5487 74.148 31.993 31.197 1.00 0.00 WT3 O ATOM 42797 H1 TIP3 5487 74.421 31.080 31.280 1.00 0.00 WT3 H ATOM 42798 H2 TIP3 5487 74.327 32.376 32.056 1.00 0.00 WT3 H ATOM 42799 OH2 TIP3 5489 72.959 33.295 55.356 1.00 0.00 WT3 O ATOM 42800 H1 TIP3 5489 73.459 32.858 56.046 1.00 0.00 WT3 H ATOM 42801 H2 TIP3 5489 72.787 32.607 54.713 1.00 0.00 WT3 H ATOM 42802 OH2 TIP3 5490 36.537 10.591 36.900 1.00 0.00 WT3 O ATOM 42803 H1 TIP3 5490 36.828 10.402 36.008 1.00 0.00 WT3 H ATOM 42804 H2 TIP3 5490 36.315 11.522 36.888 1.00 0.00 WT3 H ATOM 42805 OH2 TIP3 5491 76.180 0.856 -4.628 1.00 0.00 WT3 O ATOM 42806 H1 TIP3 5491 76.832 1.438 -5.018 1.00 0.00 WT3 H ATOM 42807 H2 TIP3 5491 75.859 1.333 -3.863 1.00 0.00 WT3 H ATOM 42808 OH2 TIP3 5492 40.903 50.521 61.509 1.00 0.00 WT3 O ATOM 42809 H1 TIP3 5492 41.341 50.722 62.337 1.00 0.00 WT3 H ATOM 42810 H2 TIP3 5492 40.858 51.360 61.051 1.00 0.00 WT3 H ATOM 42811 OH2 TIP3 5493 72.396 53.142 3.553 1.00 0.00 WT3 O ATOM 42812 H1 TIP3 5493 72.143 52.225 3.444 1.00 0.00 WT3 H ATOM 42813 H2 TIP3 5493 72.222 53.330 4.475 1.00 0.00 WT3 H ATOM 42814 OH2 TIP3 5494 87.409 86.237 10.894 1.00 0.00 WT3 O ATOM 42815 H1 TIP3 5494 87.424 86.449 9.961 1.00 0.00 WT3 H ATOM 42816 H2 TIP3 5494 87.193 87.065 11.325 1.00 0.00 WT3 H ATOM 42817 OH2 TIP3 5496 51.131 85.948 17.080 1.00 0.00 WT3 O ATOM 42818 H1 TIP3 5496 51.336 86.499 17.835 1.00 0.00 WT3 H ATOM 42819 H2 TIP3 5496 51.029 85.069 17.444 1.00 0.00 WT3 H ATOM 42820 OH2 TIP3 5497 86.520 3.535 -12.550 1.00 0.00 WT3 O ATOM 42821 H1 TIP3 5497 86.053 3.517 -13.385 1.00 0.00 WT3 H ATOM 42822 H2 TIP3 5497 86.805 2.632 -12.415 1.00 0.00 WT3 H ATOM 42823 OH2 TIP3 5498 57.322 21.703 26.539 1.00 0.00 WT3 O ATOM 42824 H1 TIP3 5498 57.699 21.985 25.706 1.00 0.00 WT3 H ATOM 42825 H2 TIP3 5498 56.403 21.964 26.487 1.00 0.00 WT3 H ATOM 42826 OH2 TIP3 5503 48.785 17.977 -4.099 1.00 0.00 WT3 O ATOM 42827 H1 TIP3 5503 49.440 18.602 -3.788 1.00 0.00 WT3 H ATOM 42828 H2 TIP3 5503 48.202 17.848 -3.351 1.00 0.00 WT3 H ATOM 42829 OH2 TIP3 5504 65.257 78.709 11.607 1.00 0.00 WT3 O ATOM 42830 H1 TIP3 5504 64.887 78.289 10.830 1.00 0.00 WT3 H ATOM 42831 H2 TIP3 5504 64.496 78.933 12.143 1.00 0.00 WT3 H ATOM 42832 OH2 TIP3 5505 31.385 1.751 37.457 1.00 0.00 WT3 O ATOM 42833 H1 TIP3 5505 31.305 0.980 36.895 1.00 0.00 WT3 H ATOM 42834 H2 TIP3 5505 32.276 2.067 37.305 1.00 0.00 WT3 H ATOM 42835 OH2 TIP3 5513 84.528 36.139 53.286 1.00 0.00 WT3 O ATOM 42836 H1 TIP3 5513 85.346 35.750 53.597 1.00 0.00 WT3 H ATOM 42837 H2 TIP3 5513 84.510 37.010 53.683 1.00 0.00 WT3 H ATOM 42838 OH2 TIP3 5514 79.662 1.110 47.336 1.00 0.00 WT3 O ATOM 42839 H1 TIP3 5514 80.387 1.138 47.960 1.00 0.00 WT3 H ATOM 42840 H2 TIP3 5514 79.997 1.555 46.558 1.00 0.00 WT3 H ATOM 42841 OH2 TIP3 5517 38.515 81.483 37.685 1.00 0.00 WT3 O ATOM 42842 H1 TIP3 5517 37.895 80.778 37.499 1.00 0.00 WT3 H ATOM 42843 H2 TIP3 5517 39.352 81.162 37.351 1.00 0.00 WT3 H ATOM 42844 OH2 TIP3 5518 33.363 38.783 50.422 1.00 0.00 WT3 O ATOM 42845 H1 TIP3 5518 33.339 38.921 49.475 1.00 0.00 WT3 H ATOM 42846 H2 TIP3 5518 33.627 39.631 50.781 1.00 0.00 WT3 H ATOM 42847 OH2 TIP3 5519 30.470 22.334 -6.150 1.00 0.00 WT3 O ATOM 42848 H1 TIP3 5519 30.112 23.207 -5.988 1.00 0.00 WT3 H ATOM 42849 H2 TIP3 5519 29.929 21.979 -6.856 1.00 0.00 WT3 H ATOM 42850 OH2 TIP3 5520 76.411 85.485 -19.552 1.00 0.00 WT3 O ATOM 42851 H1 TIP3 5520 76.951 84.870 -20.049 1.00 0.00 WT3 H ATOM 42852 H2 TIP3 5520 77.009 86.196 -19.320 1.00 0.00 WT3 H ATOM 42853 OH2 TIP3 5523 71.619 56.814 61.551 1.00 0.00 WT3 O ATOM 42854 H1 TIP3 5523 71.596 56.525 62.463 1.00 0.00 WT3 H ATOM 42855 H2 TIP3 5523 71.409 57.748 61.590 1.00 0.00 WT3 H ATOM 42856 OH2 TIP3 5526 28.634 58.051 22.325 1.00 0.00 WT3 O ATOM 42857 H1 TIP3 5526 29.192 57.284 22.199 1.00 0.00 WT3 H ATOM 42858 H2 TIP3 5526 27.914 57.738 22.873 1.00 0.00 WT3 H ATOM 42859 OH2 TIP3 5528 84.465 71.495 6.378 1.00 0.00 WT3 O ATOM 42860 H1 TIP3 5528 83.663 71.171 6.788 1.00 0.00 WT3 H ATOM 42861 H2 TIP3 5528 85.155 70.927 6.720 1.00 0.00 WT3 H ATOM 42862 OH2 TIP3 5529 76.398 39.846 18.942 1.00 0.00 WT3 O ATOM 42863 H1 TIP3 5529 75.730 40.372 19.381 1.00 0.00 WT3 H ATOM 42864 H2 TIP3 5529 76.073 39.743 18.048 1.00 0.00 WT3 H ATOM 42865 OH2 TIP3 5537 78.588 20.486 52.238 1.00 0.00 WT3 O ATOM 42866 H1 TIP3 5537 77.894 21.051 51.900 1.00 0.00 WT3 H ATOM 42867 H2 TIP3 5537 78.392 19.622 51.874 1.00 0.00 WT3 H ATOM 42868 OH2 TIP3 5538 83.845 65.832 -3.706 1.00 0.00 WT3 O ATOM 42869 H1 TIP3 5538 83.735 66.282 -4.544 1.00 0.00 WT3 H ATOM 42870 H2 TIP3 5538 83.968 64.913 -3.941 1.00 0.00 WT3 H ATOM 42871 OH2 TIP3 5544 77.459 7.620 48.684 1.00 0.00 WT3 O ATOM 42872 H1 TIP3 5544 78.086 8.090 49.235 1.00 0.00 WT3 H ATOM 42873 H2 TIP3 5544 77.162 8.271 48.049 1.00 0.00 WT3 H ATOM 42874 OH2 TIP3 5553 84.292 93.584 51.923 1.00 0.00 WT3 O ATOM 42875 H1 TIP3 5553 83.359 93.791 51.882 1.00 0.00 WT3 H ATOM 42876 H2 TIP3 5553 84.491 93.202 51.068 1.00 0.00 WT3 H ATOM 42877 OH2 TIP3 5561 55.741 47.559 42.875 1.00 0.00 WT3 O ATOM 42878 H1 TIP3 5561 55.685 46.623 43.066 1.00 0.00 WT3 H ATOM 42879 H2 TIP3 5561 55.814 47.605 41.921 1.00 0.00 WT3 H ATOM 42880 OH2 TIP3 5650 72.924 51.382 -14.355 1.00 0.00 WT3 O ATOM 42881 H1 TIP3 5650 73.559 51.484 -15.064 1.00 0.00 WT3 H ATOM 42882 H2 TIP3 5650 72.644 50.468 -14.413 1.00 0.00 WT3 H ATOM 42883 OH2 TIP3 5654 69.447 81.572 11.899 1.00 0.00 WT3 O ATOM 42884 H1 TIP3 5654 69.379 82.029 11.061 1.00 0.00 WT3 H ATOM 42885 H2 TIP3 5654 68.540 81.463 12.187 1.00 0.00 WT3 H ATOM 42886 OH2 TIP3 5669 90.413 52.831 60.464 1.00 0.00 WT3 O ATOM 42887 H1 TIP3 5669 91.308 52.492 60.455 1.00 0.00 WT3 H ATOM 42888 H2 TIP3 5669 90.437 53.589 59.879 1.00 0.00 WT3 H ATOM 42889 OH2 TIP3 5676 51.226 82.217 10.412 1.00 0.00 WT3 O ATOM 42890 H1 TIP3 5676 51.221 81.732 11.237 1.00 0.00 WT3 H ATOM 42891 H2 TIP3 5676 50.348 82.090 10.053 1.00 0.00 WT3 H ATOM 42892 OH2 TIP3 5678 21.273 38.329 56.324 1.00 0.00 WT3 O ATOM 42893 H1 TIP3 5678 20.526 37.848 56.682 1.00 0.00 WT3 H ATOM 42894 H2 TIP3 5678 21.670 37.724 55.698 1.00 0.00 WT3 H ATOM 42895 OH2 TIP3 5679 24.459 48.483 22.525 1.00 0.00 WT3 O ATOM 42896 H1 TIP3 5679 24.901 48.412 21.679 1.00 0.00 WT3 H ATOM 42897 H2 TIP3 5679 25.157 48.371 23.171 1.00 0.00 WT3 H ATOM 42898 OH2 TIP3 5690 36.875 71.581 19.239 1.00 0.00 WT3 O ATOM 42899 H1 TIP3 5690 37.432 71.512 20.014 1.00 0.00 WT3 H ATOM 42900 H2 TIP3 5690 37.220 70.923 18.636 1.00 0.00 WT3 H ATOM 42901 OH2 TIP3 5691 29.254 76.151 38.004 1.00 0.00 WT3 O ATOM 42902 H1 TIP3 5691 29.703 75.471 37.501 1.00 0.00 WT3 H ATOM 42903 H2 TIP3 5691 28.922 76.759 37.343 1.00 0.00 WT3 H ATOM 42904 OH2 TIP3 5692 82.122 71.270 22.118 1.00 0.00 WT3 O ATOM 42905 H1 TIP3 5692 82.801 71.878 22.412 1.00 0.00 WT3 H ATOM 42906 H2 TIP3 5692 82.597 70.605 21.620 1.00 0.00 WT3 H ATOM 42907 OH2 TIP3 5697 47.103 44.096 49.511 1.00 0.00 WT3 O ATOM 42908 H1 TIP3 5697 46.879 45.022 49.422 1.00 0.00 WT3 H ATOM 42909 H2 TIP3 5697 46.279 43.671 49.746 1.00 0.00 WT3 H ATOM 42910 OH2 TIP3 5706 22.044 85.038 -9.218 1.00 0.00 WT3 O ATOM 42911 H1 TIP3 5706 21.732 85.590 -8.500 1.00 0.00 WT3 H ATOM 42912 H2 TIP3 5706 22.957 84.852 -8.999 1.00 0.00 WT3 H ATOM 42913 OH2 TIP3 5710 32.458 69.151 -0.431 1.00 0.00 WT3 O ATOM 42914 H1 TIP3 5710 33.268 69.155 0.079 1.00 0.00 WT3 H ATOM 42915 H2 TIP3 5710 32.499 69.953 -0.952 1.00 0.00 WT3 H ATOM 42916 OH2 TIP3 5711 82.688 4.136 -8.184 1.00 0.00 WT3 O ATOM 42917 H1 TIP3 5711 81.733 4.205 -8.158 1.00 0.00 WT3 H ATOM 42918 H2 TIP3 5711 82.974 4.457 -7.329 1.00 0.00 WT3 H ATOM 42919 OH2 TIP3 5714 27.882 33.931 27.591 1.00 0.00 WT3 O ATOM 42920 H1 TIP3 5714 28.031 33.108 27.127 1.00 0.00 WT3 H ATOM 42921 H2 TIP3 5714 27.590 34.540 26.912 1.00 0.00 WT3 H ATOM 42922 OH2 TIP3 5715 48.234 53.755 -16.430 1.00 0.00 WT3 O ATOM 42923 H1 TIP3 5715 47.563 54.091 -17.024 1.00 0.00 WT3 H ATOM 42924 H2 TIP3 5715 48.941 53.466 -17.007 1.00 0.00 WT3 H ATOM 42925 OH2 TIP3 5720 68.749 40.228 24.996 1.00 0.00 WT3 O ATOM 42926 H1 TIP3 5720 67.815 40.432 24.967 1.00 0.00 WT3 H ATOM 42927 H2 TIP3 5720 68.868 39.550 24.330 1.00 0.00 WT3 H ATOM 42928 OH2 TIP3 5723 32.430 94.245 -13.986 1.00 0.00 WT3 O ATOM 42929 H1 TIP3 5723 32.652 93.933 -14.863 1.00 0.00 WT3 H ATOM 42930 H2 TIP3 5723 33.170 93.976 -13.441 1.00 0.00 WT3 H ATOM 42931 OH2 TIP3 5727 42.590 87.917 33.264 1.00 0.00 WT3 O ATOM 42932 H1 TIP3 5727 43.529 87.731 33.290 1.00 0.00 WT3 H ATOM 42933 H2 TIP3 5727 42.334 87.987 34.183 1.00 0.00 WT3 H ATOM 42934 OH2 TIP3 5733 77.847 64.177 40.998 1.00 0.00 WT3 O ATOM 42935 H1 TIP3 5733 77.090 64.090 40.419 1.00 0.00 WT3 H ATOM 42936 H2 TIP3 5733 77.528 63.888 41.854 1.00 0.00 WT3 H ATOM 42937 OH2 TIP3 5734 32.493 36.414 -1.763 1.00 0.00 WT3 O ATOM 42938 H1 TIP3 5734 32.427 36.986 -0.999 1.00 0.00 WT3 H ATOM 42939 H2 TIP3 5734 33.433 36.343 -1.928 1.00 0.00 WT3 H ATOM 42940 OH2 TIP3 5736 72.999 66.999 22.431 1.00 0.00 WT3 O ATOM 42941 H1 TIP3 5736 72.358 66.586 23.009 1.00 0.00 WT3 H ATOM 42942 H2 TIP3 5736 73.748 66.402 22.436 1.00 0.00 WT3 H ATOM 42943 OH2 TIP3 5738 53.060 54.927 -4.338 1.00 0.00 WT3 O ATOM 42944 H1 TIP3 5738 53.965 55.055 -4.054 1.00 0.00 WT3 H ATOM 42945 H2 TIP3 5738 52.746 55.809 -4.542 1.00 0.00 WT3 H ATOM 42946 OH2 TIP3 5744 81.895 51.034 62.694 1.00 0.00 WT3 O ATOM 42947 H1 TIP3 5744 82.039 51.587 63.463 1.00 0.00 WT3 H ATOM 42948 H2 TIP3 5744 81.692 50.171 63.054 1.00 0.00 WT3 H ATOM 42949 OH2 TIP3 5749 27.161 85.501 40.181 1.00 0.00 WT3 O ATOM 42950 H1 TIP3 5749 26.526 86.158 39.897 1.00 0.00 WT3 H ATOM 42951 H2 TIP3 5749 26.818 84.673 39.844 1.00 0.00 WT3 H ATOM 42952 OH2 TIP3 5750 44.926 95.584 -14.662 1.00 0.00 WT3 O ATOM 42953 H1 TIP3 5750 44.148 95.798 -15.176 1.00 0.00 WT3 H ATOM 42954 H2 TIP3 5750 45.128 94.678 -14.899 1.00 0.00 WT3 H ATOM 42955 OH2 TIP3 5753 79.131 51.818 23.545 1.00 0.00 WT3 O ATOM 42956 H1 TIP3 5753 79.179 52.165 24.436 1.00 0.00 WT3 H ATOM 42957 H2 TIP3 5753 79.984 52.024 23.162 1.00 0.00 WT3 H ATOM 42958 OH2 TIP3 5754 61.675 23.817 5.136 1.00 0.00 WT3 O ATOM 42959 H1 TIP3 5754 61.411 24.718 4.948 1.00 0.00 WT3 H ATOM 42960 H2 TIP3 5754 60.917 23.288 4.886 1.00 0.00 WT3 H ATOM 42961 OH2 TIP3 5755 69.692 73.656 28.434 1.00 0.00 WT3 O ATOM 42962 H1 TIP3 5755 69.680 74.270 29.168 1.00 0.00 WT3 H ATOM 42963 H2 TIP3 5755 68.770 73.456 28.273 1.00 0.00 WT3 H ATOM 42964 OH2 TIP3 5756 24.813 85.289 -16.288 1.00 0.00 WT3 O ATOM 42965 H1 TIP3 5756 25.107 84.518 -16.774 1.00 0.00 WT3 H ATOM 42966 H2 TIP3 5756 23.885 85.373 -16.509 1.00 0.00 WT3 H ATOM 42967 OH2 TIP3 5757 22.852 24.002 -3.107 1.00 0.00 WT3 O ATOM 42968 H1 TIP3 5757 23.695 23.552 -3.062 1.00 0.00 WT3 H ATOM 42969 H2 TIP3 5757 22.698 24.131 -4.043 1.00 0.00 WT3 H ATOM 42970 OH2 TIP3 5758 88.139 70.971 8.488 1.00 0.00 WT3 O ATOM 42971 H1 TIP3 5758 88.856 71.095 9.110 1.00 0.00 WT3 H ATOM 42972 H2 TIP3 5758 88.197 71.725 7.902 1.00 0.00 WT3 H ATOM 42973 OH2 TIP3 5764 80.630 60.404 62.600 1.00 0.00 WT3 O ATOM 42974 H1 TIP3 5764 79.796 59.933 62.593 1.00 0.00 WT3 H ATOM 42975 H2 TIP3 5764 80.927 60.352 63.508 1.00 0.00 WT3 H ATOM 42976 OH2 TIP3 5768 29.269 36.277 31.244 1.00 0.00 WT3 O ATOM 42977 H1 TIP3 5768 29.230 36.386 30.294 1.00 0.00 WT3 H ATOM 42978 H2 TIP3 5768 28.357 36.155 31.509 1.00 0.00 WT3 H ATOM 42979 OH2 TIP3 5772 33.685 74.328 19.387 1.00 0.00 WT3 O ATOM 42980 H1 TIP3 5772 33.694 73.454 18.996 1.00 0.00 WT3 H ATOM 42981 H2 TIP3 5772 34.137 74.881 18.750 1.00 0.00 WT3 H ATOM 42982 OH2 TIP3 5774 53.628 40.803 -16.735 1.00 0.00 WT3 O ATOM 42983 H1 TIP3 5774 54.169 41.499 -17.107 1.00 0.00 WT3 H ATOM 42984 H2 TIP3 5774 52.959 41.263 -16.229 1.00 0.00 WT3 H ATOM 42985 OH2 TIP3 5776 64.106 75.200 -7.183 1.00 0.00 WT3 O ATOM 42986 H1 TIP3 5776 63.760 74.324 -7.013 1.00 0.00 WT3 H ATOM 42987 H2 TIP3 5776 64.848 75.285 -6.584 1.00 0.00 WT3 H ATOM 42988 OH2 TIP3 5777 49.766 72.819 56.663 1.00 0.00 WT3 O ATOM 42989 H1 TIP3 5777 49.565 72.210 55.953 1.00 0.00 WT3 H ATOM 42990 H2 TIP3 5777 48.986 73.369 56.736 1.00 0.00 WT3 H ATOM 42991 OH2 TIP3 5778 30.947 8.428 -10.684 1.00 0.00 WT3 O ATOM 42992 H1 TIP3 5778 29.997 8.522 -10.603 1.00 0.00 WT3 H ATOM 42993 H2 TIP3 5778 31.142 7.592 -10.259 1.00 0.00 WT3 H ATOM 42994 OH2 TIP3 5779 89.382 24.928 8.876 1.00 0.00 WT3 O ATOM 42995 H1 TIP3 5779 88.587 24.825 9.399 1.00 0.00 WT3 H ATOM 42996 H2 TIP3 5779 90.001 25.361 9.464 1.00 0.00 WT3 H ATOM 42997 OH2 TIP3 5780 68.705 39.149 30.036 1.00 0.00 WT3 O ATOM 42998 H1 TIP3 5780 69.654 39.264 30.083 1.00 0.00 WT3 H ATOM 42999 H2 TIP3 5780 68.434 39.691 29.295 1.00 0.00 WT3 H ATOM 43000 OH2 TIP3 5781 82.538 86.568 50.232 1.00 0.00 WT3 O ATOM 43001 H1 TIP3 5781 82.505 86.387 49.292 1.00 0.00 WT3 H ATOM 43002 H2 TIP3 5781 81.758 86.141 50.585 1.00 0.00 WT3 H ATOM 43003 OH2 TIP3 5782 29.024 28.954 8.869 1.00 0.00 WT3 O ATOM 43004 H1 TIP3 5782 28.922 28.593 9.749 1.00 0.00 WT3 H ATOM 43005 H2 TIP3 5782 29.938 29.235 8.829 1.00 0.00 WT3 H ATOM 43006 OH2 TIP3 5787 56.125 66.355 16.111 1.00 0.00 WT3 O ATOM 43007 H1 TIP3 5787 55.387 66.510 15.521 1.00 0.00 WT3 H ATOM 43008 H2 TIP3 5787 56.403 65.460 15.918 1.00 0.00 WT3 H ATOM 43009 OH2 TIP3 5790 65.115 68.565 29.171 1.00 0.00 WT3 O ATOM 43010 H1 TIP3 5790 64.498 67.886 28.896 1.00 0.00 WT3 H ATOM 43011 H2 TIP3 5790 64.755 68.899 29.992 1.00 0.00 WT3 H ATOM 43012 OH2 TIP3 5795 54.597 87.582 13.748 1.00 0.00 WT3 O ATOM 43013 H1 TIP3 5795 55.165 87.009 14.263 1.00 0.00 WT3 H ATOM 43014 H2 TIP3 5795 55.198 88.083 13.197 1.00 0.00 WT3 H ATOM 43015 OH2 TIP3 5797 87.941 15.608 -4.066 1.00 0.00 WT3 O ATOM 43016 H1 TIP3 5797 87.217 15.622 -4.692 1.00 0.00 WT3 H ATOM 43017 H2 TIP3 5797 88.484 16.357 -4.312 1.00 0.00 WT3 H ATOM 43018 OH2 TIP3 5798 62.253 21.252 -5.326 1.00 0.00 WT3 O ATOM 43019 H1 TIP3 5798 63.204 21.288 -5.229 1.00 0.00 WT3 H ATOM 43020 H2 TIP3 5798 61.996 20.444 -4.881 1.00 0.00 WT3 H ATOM 43021 OH2 TIP3 5799 52.074 90.571 59.304 1.00 0.00 WT3 O ATOM 43022 H1 TIP3 5799 52.105 90.384 58.365 1.00 0.00 WT3 H ATOM 43023 H2 TIP3 5799 52.976 90.453 59.601 1.00 0.00 WT3 H ATOM 43024 OH2 TIP3 5800 87.875 35.162 -8.075 1.00 0.00 WT3 O ATOM 43025 H1 TIP3 5800 87.202 34.831 -7.480 1.00 0.00 WT3 H ATOM 43026 H2 TIP3 5800 88.550 35.520 -7.499 1.00 0.00 WT3 H ATOM 43027 OH2 TIP3 5801 65.947 74.237 13.159 1.00 0.00 WT3 O ATOM 43028 H1 TIP3 5801 66.631 73.600 12.952 1.00 0.00 WT3 H ATOM 43029 H2 TIP3 5801 65.305 73.743 13.669 1.00 0.00 WT3 H ATOM 43030 OH2 TIP3 5802 66.984 7.685 12.594 1.00 0.00 WT3 O ATOM 43031 H1 TIP3 5802 66.886 8.617 12.400 1.00 0.00 WT3 H ATOM 43032 H2 TIP3 5802 66.115 7.408 12.884 1.00 0.00 WT3 H ATOM 43033 OH2 TIP3 5803 48.300 65.372 2.737 1.00 0.00 WT3 O ATOM 43034 H1 TIP3 5803 47.830 65.091 3.522 1.00 0.00 WT3 H ATOM 43035 H2 TIP3 5803 49.224 65.259 2.957 1.00 0.00 WT3 H ATOM 43036 OH2 TIP3 5808 82.900 27.414 29.817 1.00 0.00 WT3 O ATOM 43037 H1 TIP3 5808 83.449 26.807 29.321 1.00 0.00 WT3 H ATOM 43038 H2 TIP3 5808 83.511 28.068 30.155 1.00 0.00 WT3 H ATOM 43039 OH2 TIP3 5809 64.555 94.360 21.496 1.00 0.00 WT3 O ATOM 43040 H1 TIP3 5809 64.178 93.896 22.244 1.00 0.00 WT3 H ATOM 43041 H2 TIP3 5809 63.969 94.157 20.767 1.00 0.00 WT3 H ATOM 43042 OH2 TIP3 5810 70.673 25.288 41.135 1.00 0.00 WT3 O ATOM 43043 H1 TIP3 5810 70.129 25.044 41.884 1.00 0.00 WT3 H ATOM 43044 H2 TIP3 5810 70.638 24.528 40.554 1.00 0.00 WT3 H ATOM 43045 OH2 TIP3 5812 79.771 92.599 21.510 1.00 0.00 WT3 O ATOM 43046 H1 TIP3 5812 79.951 93.539 21.513 1.00 0.00 WT3 H ATOM 43047 H2 TIP3 5812 79.118 92.476 22.198 1.00 0.00 WT3 H ATOM 43048 OH2 TIP3 5813 76.018 66.512 51.500 1.00 0.00 WT3 O ATOM 43049 H1 TIP3 5813 75.727 67.333 51.103 1.00 0.00 WT3 H ATOM 43050 H2 TIP3 5813 76.664 66.778 52.155 1.00 0.00 WT3 H ATOM 43051 OH2 TIP3 5814 66.684 45.980 -5.692 1.00 0.00 WT3 O ATOM 43052 H1 TIP3 5814 66.403 46.787 -5.260 1.00 0.00 WT3 H ATOM 43053 H2 TIP3 5814 67.639 46.036 -5.707 1.00 0.00 WT3 H ATOM 43054 OH2 TIP3 5815 46.224 1.215 49.607 1.00 0.00 WT3 O ATOM 43055 H1 TIP3 5815 46.556 0.718 50.354 1.00 0.00 WT3 H ATOM 43056 H2 TIP3 5815 45.750 0.571 49.082 1.00 0.00 WT3 H ATOM 43057 OH2 TIP3 5816 65.984 58.790 27.805 1.00 0.00 WT3 O ATOM 43058 H1 TIP3 5816 65.822 59.214 26.962 1.00 0.00 WT3 H ATOM 43059 H2 TIP3 5816 65.154 58.365 28.023 1.00 0.00 WT3 H ATOM 43060 OH2 TIP3 5817 69.178 54.354 35.196 1.00 0.00 WT3 O ATOM 43061 H1 TIP3 5817 68.349 53.927 34.980 1.00 0.00 WT3 H ATOM 43062 H2 TIP3 5817 69.337 54.953 34.467 1.00 0.00 WT3 H ATOM 43063 OH2 TIP3 5818 35.504 10.993 44.791 1.00 0.00 WT3 O ATOM 43064 H1 TIP3 5818 35.137 11.847 45.019 1.00 0.00 WT3 H ATOM 43065 H2 TIP3 5818 36.315 10.937 45.297 1.00 0.00 WT3 H ATOM 43066 OH2 TIP3 5819 45.155 80.970 6.882 1.00 0.00 WT3 O ATOM 43067 H1 TIP3 5819 45.759 81.111 7.611 1.00 0.00 WT3 H ATOM 43068 H2 TIP3 5819 45.721 80.900 6.112 1.00 0.00 WT3 H ATOM 43069 OH2 TIP3 5820 74.562 78.915 60.878 1.00 0.00 WT3 O ATOM 43070 H1 TIP3 5820 74.867 78.691 61.757 1.00 0.00 WT3 H ATOM 43071 H2 TIP3 5820 75.192 79.564 60.564 1.00 0.00 WT3 H ATOM 43072 OH2 TIP3 5821 32.593 51.572 15.627 1.00 0.00 WT3 O ATOM 43073 H1 TIP3 5821 33.326 51.502 16.239 1.00 0.00 WT3 H ATOM 43074 H2 TIP3 5821 32.960 52.019 14.864 1.00 0.00 WT3 H ATOM 43075 OH2 TIP3 5823 34.823 68.615 13.932 1.00 0.00 WT3 O ATOM 43076 H1 TIP3 5823 35.616 68.523 14.461 1.00 0.00 WT3 H ATOM 43077 H2 TIP3 5823 34.178 68.061 14.370 1.00 0.00 WT3 H ATOM 43078 OH2 TIP3 5827 59.787 2.507 19.922 1.00 0.00 WT3 O ATOM 43079 H1 TIP3 5827 60.719 2.647 20.089 1.00 0.00 WT3 H ATOM 43080 H2 TIP3 5827 59.420 3.389 19.855 1.00 0.00 WT3 H ATOM 43081 OH2 TIP3 5828 85.908 72.348 46.808 1.00 0.00 WT3 O ATOM 43082 H1 TIP3 5828 85.720 72.129 47.721 1.00 0.00 WT3 H ATOM 43083 H2 TIP3 5828 85.255 71.861 46.306 1.00 0.00 WT3 H ATOM 43084 OH2 TIP3 5829 51.820 93.592 -4.219 1.00 0.00 WT3 O ATOM 43085 H1 TIP3 5829 51.317 92.863 -4.582 1.00 0.00 WT3 H ATOM 43086 H2 TIP3 5829 51.223 94.338 -4.257 1.00 0.00 WT3 H ATOM 43087 OH2 TIP3 5830 55.673 75.444 30.579 1.00 0.00 WT3 O ATOM 43088 H1 TIP3 5830 55.864 74.512 30.476 1.00 0.00 WT3 H ATOM 43089 H2 TIP3 5830 54.717 75.493 30.601 1.00 0.00 WT3 H ATOM 43090 OH2 TIP3 5832 90.121 88.203 11.724 1.00 0.00 WT3 O ATOM 43091 H1 TIP3 5832 90.277 87.273 11.886 1.00 0.00 WT3 H ATOM 43092 H2 TIP3 5832 90.216 88.616 12.583 1.00 0.00 WT3 H ATOM 43093 OH2 TIP3 5835 46.900 80.599 51.944 1.00 0.00 WT3 O ATOM 43094 H1 TIP3 5835 47.195 79.689 51.939 1.00 0.00 WT3 H ATOM 43095 H2 TIP3 5835 46.992 80.876 52.856 1.00 0.00 WT3 H ATOM 43096 OH2 TIP3 5836 43.271 17.265 67.129 1.00 0.00 WT3 O ATOM 43097 H1 TIP3 5836 42.346 17.413 67.328 1.00 0.00 WT3 H ATOM 43098 H2 TIP3 5836 43.484 16.445 67.574 1.00 0.00 WT3 H ATOM 43099 OH2 TIP3 5837 39.556 72.574 -6.142 1.00 0.00 WT3 O ATOM 43100 H1 TIP3 5837 39.688 71.891 -5.485 1.00 0.00 WT3 H ATOM 43101 H2 TIP3 5837 38.623 72.528 -6.352 1.00 0.00 WT3 H ATOM 43102 OH2 TIP3 5838 84.067 30.760 48.780 1.00 0.00 WT3 O ATOM 43103 H1 TIP3 5838 83.716 30.980 47.917 1.00 0.00 WT3 H ATOM 43104 H2 TIP3 5838 84.940 30.410 48.602 1.00 0.00 WT3 H ATOM 43105 OH2 TIP3 5839 74.966 27.763 55.931 1.00 0.00 WT3 O ATOM 43106 H1 TIP3 5839 74.506 26.959 55.690 1.00 0.00 WT3 H ATOM 43107 H2 TIP3 5839 75.552 27.500 56.641 1.00 0.00 WT3 H ATOM 43108 OH2 TIP3 5840 63.407 67.125 52.169 1.00 0.00 WT3 O ATOM 43109 H1 TIP3 5840 63.126 66.211 52.125 1.00 0.00 WT3 H ATOM 43110 H2 TIP3 5840 62.614 67.629 51.984 1.00 0.00 WT3 H ATOM 43111 OH2 TIP3 5841 70.332 49.239 -5.203 1.00 0.00 WT3 O ATOM 43112 H1 TIP3 5841 69.540 49.436 -5.704 1.00 0.00 WT3 H ATOM 43113 H2 TIP3 5841 70.018 49.077 -4.313 1.00 0.00 WT3 H ATOM 43114 OH2 TIP3 5842 78.368 81.570 -14.373 1.00 0.00 WT3 O ATOM 43115 H1 TIP3 5842 78.121 80.879 -13.759 1.00 0.00 WT3 H ATOM 43116 H2 TIP3 5842 77.629 82.178 -14.361 1.00 0.00 WT3 H ATOM 43117 OH2 TIP3 5843 45.575 88.247 62.485 1.00 0.00 WT3 O ATOM 43118 H1 TIP3 5843 45.494 88.793 63.267 1.00 0.00 WT3 H ATOM 43119 H2 TIP3 5843 46.117 87.509 62.763 1.00 0.00 WT3 H ATOM 43120 OH2 TIP3 5844 66.455 18.771 21.072 1.00 0.00 WT3 O ATOM 43121 H1 TIP3 5844 67.258 18.287 21.266 1.00 0.00 WT3 H ATOM 43122 H2 TIP3 5844 66.459 18.869 20.119 1.00 0.00 WT3 H ATOM 43123 OH2 TIP3 5845 62.627 54.835 -18.961 1.00 0.00 WT3 O ATOM 43124 H1 TIP3 5845 63.170 55.040 -18.200 1.00 0.00 WT3 H ATOM 43125 H2 TIP3 5845 62.647 55.633 -19.491 1.00 0.00 WT3 H ATOM 43126 OH2 TIP3 5846 85.357 51.220 53.247 1.00 0.00 WT3 O ATOM 43127 H1 TIP3 5846 85.058 51.995 52.770 1.00 0.00 WT3 H ATOM 43128 H2 TIP3 5846 84.552 50.776 53.512 1.00 0.00 WT3 H ATOM 43129 OH2 TIP3 5848 73.860 62.554 -2.186 1.00 0.00 WT3 O ATOM 43130 H1 TIP3 5848 73.949 62.161 -1.318 1.00 0.00 WT3 H ATOM 43131 H2 TIP3 5848 72.924 62.737 -2.272 1.00 0.00 WT3 H ATOM 43132 OH2 TIP3 5850 44.932 41.564 -17.750 1.00 0.00 WT3 O ATOM 43133 H1 TIP3 5850 45.027 41.436 -16.806 1.00 0.00 WT3 H ATOM 43134 H2 TIP3 5850 43.986 41.564 -17.898 1.00 0.00 WT3 H ATOM 43135 OH2 TIP3 5851 39.190 5.985 14.480 1.00 0.00 WT3 O ATOM 43136 H1 TIP3 5851 39.623 6.810 14.700 1.00 0.00 WT3 H ATOM 43137 H2 TIP3 5851 38.261 6.209 14.428 1.00 0.00 WT3 H ATOM 43138 OH2 TIP3 5853 27.532 61.206 -9.737 1.00 0.00 WT3 O ATOM 43139 H1 TIP3 5853 26.646 61.551 -9.626 1.00 0.00 WT3 H ATOM 43140 H2 TIP3 5853 27.556 60.895 -10.642 1.00 0.00 WT3 H ATOM 43141 OH2 TIP3 5854 48.667 71.260 54.724 1.00 0.00 WT3 O ATOM 43142 H1 TIP3 5854 47.962 71.896 54.604 1.00 0.00 WT3 H ATOM 43143 H2 TIP3 5854 48.850 70.935 53.842 1.00 0.00 WT3 H ATOM 43144 OH2 TIP3 5855 50.775 84.488 42.866 1.00 0.00 WT3 O ATOM 43145 H1 TIP3 5855 50.528 83.590 42.646 1.00 0.00 WT3 H ATOM 43146 H2 TIP3 5855 49.943 84.936 43.017 1.00 0.00 WT3 H ATOM 43147 OH2 TIP3 5856 57.562 7.346 16.685 1.00 0.00 WT3 O ATOM 43148 H1 TIP3 5856 58.184 6.644 16.493 1.00 0.00 WT3 H ATOM 43149 H2 TIP3 5856 56.765 6.892 16.960 1.00 0.00 WT3 H ATOM 43150 OH2 TIP3 5857 34.558 91.506 29.281 1.00 0.00 WT3 O ATOM 43151 H1 TIP3 5857 34.943 90.631 29.232 1.00 0.00 WT3 H ATOM 43152 H2 TIP3 5857 35.082 92.032 28.677 1.00 0.00 WT3 H ATOM 43153 OH2 TIP3 5858 43.326 78.107 63.783 1.00 0.00 WT3 O ATOM 43154 H1 TIP3 5858 43.166 78.843 64.374 1.00 0.00 WT3 H ATOM 43155 H2 TIP3 5858 44.280 78.045 63.729 1.00 0.00 WT3 H ATOM 43156 OH2 TIP3 5859 27.729 77.216 36.162 1.00 0.00 WT3 O ATOM 43157 H1 TIP3 5859 27.769 76.417 35.636 1.00 0.00 WT3 H ATOM 43158 H2 TIP3 5859 27.052 77.747 35.742 1.00 0.00 WT3 H ATOM 43159 OH2 TIP3 5860 32.040 86.981 7.868 1.00 0.00 WT3 O ATOM 43160 H1 TIP3 5860 31.586 86.833 8.697 1.00 0.00 WT3 H ATOM 43161 H2 TIP3 5860 31.512 87.642 7.420 1.00 0.00 WT3 H ATOM 43162 OH2 TIP3 5861 71.541 66.418 -2.487 1.00 0.00 WT3 O ATOM 43163 H1 TIP3 5861 71.329 66.100 -1.610 1.00 0.00 WT3 H ATOM 43164 H2 TIP3 5861 72.030 67.227 -2.338 1.00 0.00 WT3 H ATOM 43165 OH2 TIP3 5862 77.013 82.375 3.364 1.00 0.00 WT3 O ATOM 43166 H1 TIP3 5862 76.212 82.369 2.840 1.00 0.00 WT3 H ATOM 43167 H2 TIP3 5862 77.030 83.243 3.766 1.00 0.00 WT3 H ATOM 43168 OH2 TIP3 5863 42.566 16.428 -3.428 1.00 0.00 WT3 O ATOM 43169 H1 TIP3 5863 42.129 15.614 -3.178 1.00 0.00 WT3 H ATOM 43170 H2 TIP3 5863 43.396 16.411 -2.952 1.00 0.00 WT3 H ATOM 43171 OH2 TIP3 5864 71.466 57.773 8.131 1.00 0.00 WT3 O ATOM 43172 H1 TIP3 5864 70.670 58.086 7.702 1.00 0.00 WT3 H ATOM 43173 H2 TIP3 5864 72.176 58.237 7.686 1.00 0.00 WT3 H ATOM 43174 OH2 TIP3 5865 74.033 64.586 0.869 1.00 0.00 WT3 O ATOM 43175 H1 TIP3 5865 73.844 63.651 0.790 1.00 0.00 WT3 H ATOM 43176 H2 TIP3 5865 73.520 64.994 0.171 1.00 0.00 WT3 H ATOM 43177 OH2 TIP3 5866 72.593 94.683 5.172 1.00 0.00 WT3 O ATOM 43178 H1 TIP3 5866 72.710 94.051 4.462 1.00 0.00 WT3 H ATOM 43179 H2 TIP3 5866 72.057 94.221 5.817 1.00 0.00 WT3 H ATOM 43180 OH2 TIP3 5868 50.249 69.163 13.248 1.00 0.00 WT3 O ATOM 43181 H1 TIP3 5868 51.186 69.101 13.435 1.00 0.00 WT3 H ATOM 43182 H2 TIP3 5868 50.050 70.096 13.323 1.00 0.00 WT3 H ATOM 43183 OH2 TIP3 5870 54.760 17.482 -2.729 1.00 0.00 WT3 O ATOM 43184 H1 TIP3 5870 53.969 18.005 -2.862 1.00 0.00 WT3 H ATOM 43185 H2 TIP3 5870 55.256 17.961 -2.065 1.00 0.00 WT3 H ATOM 43186 OH2 TIP3 5871 30.176 4.310 13.068 1.00 0.00 WT3 O ATOM 43187 H1 TIP3 5871 30.979 4.647 13.465 1.00 0.00 WT3 H ATOM 43188 H2 TIP3 5871 30.404 3.427 12.778 1.00 0.00 WT3 H ATOM 43189 OH2 TIP3 5872 64.841 71.714 -10.761 1.00 0.00 WT3 O ATOM 43190 H1 TIP3 5872 65.651 72.221 -10.819 1.00 0.00 WT3 H ATOM 43191 H2 TIP3 5872 65.107 70.814 -10.951 1.00 0.00 WT3 H ATOM 43192 OH2 TIP3 5874 66.037 93.224 56.988 1.00 0.00 WT3 O ATOM 43193 H1 TIP3 5874 65.881 92.763 57.812 1.00 0.00 WT3 H ATOM 43194 H2 TIP3 5874 66.862 92.862 56.664 1.00 0.00 WT3 H ATOM 43195 OH2 TIP3 5875 48.444 80.565 -6.146 1.00 0.00 WT3 O ATOM 43196 H1 TIP3 5875 49.135 81.092 -5.744 1.00 0.00 WT3 H ATOM 43197 H2 TIP3 5875 48.734 80.440 -7.050 1.00 0.00 WT3 H ATOM 43198 OH2 TIP3 5876 90.486 69.499 18.000 1.00 0.00 WT3 O ATOM 43199 H1 TIP3 5876 89.588 69.169 18.014 1.00 0.00 WT3 H ATOM 43200 H2 TIP3 5876 91.031 68.713 17.972 1.00 0.00 WT3 H ATOM 43201 OH2 TIP3 5877 64.179 91.183 65.393 1.00 0.00 WT3 O ATOM 43202 H1 TIP3 5877 64.981 91.393 65.872 1.00 0.00 WT3 H ATOM 43203 H2 TIP3 5877 64.365 90.345 64.970 1.00 0.00 WT3 H ATOM 43204 OH2 TIP3 5878 32.537 9.201 4.420 1.00 0.00 WT3 O ATOM 43205 H1 TIP3 5878 33.342 8.858 4.808 1.00 0.00 WT3 H ATOM 43206 H2 TIP3 5878 32.112 9.679 5.133 1.00 0.00 WT3 H ATOM 43207 OH2 TIP3 5879 81.890 83.054 40.251 1.00 0.00 WT3 O ATOM 43208 H1 TIP3 5879 81.748 83.700 39.559 1.00 0.00 WT3 H ATOM 43209 H2 TIP3 5879 81.497 82.249 39.913 1.00 0.00 WT3 H ATOM 43210 OH2 TIP3 5880 34.198 63.150 38.187 1.00 0.00 WT3 O ATOM 43211 H1 TIP3 5880 34.732 63.857 38.549 1.00 0.00 WT3 H ATOM 43212 H2 TIP3 5880 34.068 63.392 37.270 1.00 0.00 WT3 H ATOM 43213 OH2 TIP3 5881 75.698 90.458 -16.796 1.00 0.00 WT3 O ATOM 43214 H1 TIP3 5881 74.909 90.238 -17.291 1.00 0.00 WT3 H ATOM 43215 H2 TIP3 5881 75.512 91.318 -16.418 1.00 0.00 WT3 H ATOM 43216 OH2 TIP3 5882 23.522 84.447 52.494 1.00 0.00 WT3 O ATOM 43217 H1 TIP3 5882 23.975 85.100 51.962 1.00 0.00 WT3 H ATOM 43218 H2 TIP3 5882 22.593 84.592 52.313 1.00 0.00 WT3 H ATOM 43219 OH2 TIP3 5883 32.362 68.271 10.991 1.00 0.00 WT3 O ATOM 43220 H1 TIP3 5883 32.183 67.830 11.821 1.00 0.00 WT3 H ATOM 43221 H2 TIP3 5883 33.313 68.223 10.894 1.00 0.00 WT3 H ATOM 43222 OH2 TIP3 5884 72.202 28.269 -9.623 1.00 0.00 WT3 O ATOM 43223 H1 TIP3 5884 72.290 27.317 -9.573 1.00 0.00 WT3 H ATOM 43224 H2 TIP3 5884 71.370 28.456 -9.187 1.00 0.00 WT3 H ATOM 43225 OH2 TIP3 5886 28.871 45.273 -16.466 1.00 0.00 WT3 O ATOM 43226 H1 TIP3 5886 29.004 45.758 -15.651 1.00 0.00 WT3 H ATOM 43227 H2 TIP3 5886 29.393 44.478 -16.360 1.00 0.00 WT3 H ATOM 43228 OH2 TIP3 5887 43.096 82.732 -1.960 1.00 0.00 WT3 O ATOM 43229 H1 TIP3 5887 42.148 82.825 -1.868 1.00 0.00 WT3 H ATOM 43230 H2 TIP3 5887 43.214 81.874 -2.368 1.00 0.00 WT3 H ATOM 43231 OH2 TIP3 5888 42.041 6.938 30.874 1.00 0.00 WT3 O ATOM 43232 H1 TIP3 5888 41.171 7.188 30.562 1.00 0.00 WT3 H ATOM 43233 H2 TIP3 5888 42.125 7.370 31.724 1.00 0.00 WT3 H ATOM 43234 OH2 TIP3 5889 56.886 76.894 2.892 1.00 0.00 WT3 O ATOM 43235 H1 TIP3 5889 57.135 77.596 3.492 1.00 0.00 WT3 H ATOM 43236 H2 TIP3 5889 56.754 76.131 3.455 1.00 0.00 WT3 H ATOM 43237 OH2 TIP3 5890 23.421 58.345 20.087 1.00 0.00 WT3 O ATOM 43238 H1 TIP3 5890 22.651 58.052 19.600 1.00 0.00 WT3 H ATOM 43239 H2 TIP3 5890 24.138 58.297 19.454 1.00 0.00 WT3 H ATOM 43240 OH2 TIP3 5891 63.320 15.365 8.280 1.00 0.00 WT3 O ATOM 43241 H1 TIP3 5891 62.765 14.646 8.581 1.00 0.00 WT3 H ATOM 43242 H2 TIP3 5891 63.822 15.621 9.054 1.00 0.00 WT3 H ATOM 43243 OH2 TIP3 5892 39.043 62.036 -6.878 1.00 0.00 WT3 O ATOM 43244 H1 TIP3 5892 38.707 61.445 -6.204 1.00 0.00 WT3 H ATOM 43245 H2 TIP3 5892 39.509 62.715 -6.391 1.00 0.00 WT3 H ATOM 43246 OH2 TIP3 5893 30.742 81.327 21.257 1.00 0.00 WT3 O ATOM 43247 H1 TIP3 5893 31.311 81.190 22.014 1.00 0.00 WT3 H ATOM 43248 H2 TIP3 5893 30.743 80.485 20.800 1.00 0.00 WT3 H ATOM 43249 OH2 TIP3 5894 28.776 59.539 29.741 1.00 0.00 WT3 O ATOM 43250 H1 TIP3 5894 29.020 60.116 30.465 1.00 0.00 WT3 H ATOM 43251 H2 TIP3 5894 29.343 59.808 29.018 1.00 0.00 WT3 H ATOM 43252 OH2 TIP3 5895 74.962 79.042 13.857 1.00 0.00 WT3 O ATOM 43253 H1 TIP3 5895 75.890 78.809 13.811 1.00 0.00 WT3 H ATOM 43254 H2 TIP3 5895 74.525 78.398 13.299 1.00 0.00 WT3 H ATOM 43255 OH2 TIP3 5898 79.414 67.991 17.666 1.00 0.00 WT3 O ATOM 43256 H1 TIP3 5898 78.514 68.178 17.398 1.00 0.00 WT3 H ATOM 43257 H2 TIP3 5898 79.955 68.359 16.967 1.00 0.00 WT3 H ATOM 43258 OH2 TIP3 5899 51.886 89.876 12.329 1.00 0.00 WT3 O ATOM 43259 H1 TIP3 5899 51.817 89.685 13.265 1.00 0.00 WT3 H ATOM 43260 H2 TIP3 5899 52.708 90.360 12.243 1.00 0.00 WT3 H ATOM 43261 OH2 TIP3 5900 71.108 55.748 -4.435 1.00 0.00 WT3 O ATOM 43262 H1 TIP3 5900 70.400 55.699 -3.792 1.00 0.00 WT3 H ATOM 43263 H2 TIP3 5900 71.875 56.012 -3.927 1.00 0.00 WT3 H ATOM 43264 OH2 TIP3 5901 66.246 11.373 26.841 1.00 0.00 WT3 O ATOM 43265 H1 TIP3 5901 65.987 10.522 27.195 1.00 0.00 WT3 H ATOM 43266 H2 TIP3 5901 65.861 12.011 27.442 1.00 0.00 WT3 H ATOM 43267 OH2 TIP3 5902 89.874 42.086 0.048 1.00 0.00 WT3 O ATOM 43268 H1 TIP3 5902 89.011 41.689 -0.064 1.00 0.00 WT3 H ATOM 43269 H2 TIP3 5902 89.852 42.867 -0.505 1.00 0.00 WT3 H ATOM 43270 OH2 TIP3 5903 40.289 92.276 -19.549 1.00 0.00 WT3 O ATOM 43271 H1 TIP3 5903 39.814 91.861 -20.269 1.00 0.00 WT3 H ATOM 43272 H2 TIP3 5903 40.762 91.559 -19.127 1.00 0.00 WT3 H ATOM 43273 OH2 TIP3 5906 59.765 71.229 51.591 1.00 0.00 WT3 O ATOM 43274 H1 TIP3 5906 59.818 70.285 51.739 1.00 0.00 WT3 H ATOM 43275 H2 TIP3 5906 60.588 71.450 51.155 1.00 0.00 WT3 H ATOM 43276 OH2 TIP3 5907 72.594 75.114 31.103 1.00 0.00 WT3 O ATOM 43277 H1 TIP3 5907 71.852 75.704 30.972 1.00 0.00 WT3 H ATOM 43278 H2 TIP3 5907 73.346 75.695 31.219 1.00 0.00 WT3 H ATOM 43279 OH2 TIP3 5909 64.465 77.228 39.944 1.00 0.00 WT3 O ATOM 43280 H1 TIP3 5909 63.966 77.919 39.509 1.00 0.00 WT3 H ATOM 43281 H2 TIP3 5909 64.193 76.422 39.504 1.00 0.00 WT3 H ATOM 43282 OH2 TIP3 5910 90.092 74.154 52.009 1.00 0.00 WT3 O ATOM 43283 H1 TIP3 5910 90.784 73.493 52.047 1.00 0.00 WT3 H ATOM 43284 H2 TIP3 5910 89.806 74.149 51.095 1.00 0.00 WT3 H ATOM 43285 OH2 TIP3 5911 85.155 45.626 12.678 1.00 0.00 WT3 O ATOM 43286 H1 TIP3 5911 84.480 44.950 12.611 1.00 0.00 WT3 H ATOM 43287 H2 TIP3 5911 84.699 46.442 12.468 1.00 0.00 WT3 H ATOM 43288 OH2 TIP3 5912 70.378 8.896 12.676 1.00 0.00 WT3 O ATOM 43289 H1 TIP3 5912 70.984 8.277 13.083 1.00 0.00 WT3 H ATOM 43290 H2 TIP3 5912 69.509 8.542 12.868 1.00 0.00 WT3 H ATOM 43291 OH2 TIP3 5913 23.121 77.406 32.766 1.00 0.00 WT3 O ATOM 43292 H1 TIP3 5913 23.356 76.811 32.054 1.00 0.00 WT3 H ATOM 43293 H2 TIP3 5913 22.423 77.951 32.403 1.00 0.00 WT3 H ATOM 43294 OH2 TIP3 5916 77.992 92.887 -10.247 1.00 0.00 WT3 O ATOM 43295 H1 TIP3 5916 77.178 92.647 -9.803 1.00 0.00 WT3 H ATOM 43296 H2 TIP3 5916 78.070 92.257 -10.963 1.00 0.00 WT3 H ATOM 43297 OH2 TIP3 5917 21.110 96.337 -10.671 1.00 0.00 WT3 O ATOM 43298 H1 TIP3 5917 21.895 96.161 -10.153 1.00 0.00 WT3 H ATOM 43299 H2 TIP3 5917 20.439 95.769 -10.292 1.00 0.00 WT3 H ATOM 43300 OH2 TIP3 5918 44.489 61.362 64.255 1.00 0.00 WT3 O ATOM 43301 H1 TIP3 5918 43.781 61.597 63.657 1.00 0.00 WT3 H ATOM 43302 H2 TIP3 5918 44.050 61.170 65.084 1.00 0.00 WT3 H ATOM 43303 OH2 TIP3 5919 87.933 74.244 1.805 1.00 0.00 WT3 O ATOM 43304 H1 TIP3 5919 88.488 74.823 2.328 1.00 0.00 WT3 H ATOM 43305 H2 TIP3 5919 88.480 73.477 1.636 1.00 0.00 WT3 H ATOM 43306 OH2 TIP3 5920 72.366 34.615 45.134 1.00 0.00 WT3 O ATOM 43307 H1 TIP3 5920 72.225 34.516 46.075 1.00 0.00 WT3 H ATOM 43308 H2 TIP3 5920 72.735 33.777 44.856 1.00 0.00 WT3 H ATOM 43309 OH2 TIP3 5921 49.877 47.673 46.722 1.00 0.00 WT3 O ATOM 43310 H1 TIP3 5921 50.630 48.253 46.609 1.00 0.00 WT3 H ATOM 43311 H2 TIP3 5921 49.950 47.043 46.005 1.00 0.00 WT3 H ATOM 43312 OH2 TIP3 5922 64.556 56.411 26.179 1.00 0.00 WT3 O ATOM 43313 H1 TIP3 5922 64.073 56.160 25.392 1.00 0.00 WT3 H ATOM 43314 H2 TIP3 5922 63.987 57.044 26.618 1.00 0.00 WT3 H ATOM 43315 OH2 TIP3 5923 35.568 50.124 7.442 1.00 0.00 WT3 O ATOM 43316 H1 TIP3 5923 36.092 49.383 7.137 1.00 0.00 WT3 H ATOM 43317 H2 TIP3 5923 34.935 50.275 6.740 1.00 0.00 WT3 H ATOM 43318 OH2 TIP3 5924 58.386 16.390 5.113 1.00 0.00 WT3 O ATOM 43319 H1 TIP3 5924 58.966 16.824 5.739 1.00 0.00 WT3 H ATOM 43320 H2 TIP3 5924 57.762 15.909 5.658 1.00 0.00 WT3 H ATOM 43321 OH2 TIP3 5926 66.412 78.419 -2.448 1.00 0.00 WT3 O ATOM 43322 H1 TIP3 5926 66.204 77.884 -1.682 1.00 0.00 WT3 H ATOM 43323 H2 TIP3 5926 66.110 79.297 -2.216 1.00 0.00 WT3 H ATOM 43324 OH2 TIP3 5931 34.096 85.554 59.257 1.00 0.00 WT3 O ATOM 43325 H1 TIP3 5931 34.089 86.100 60.043 1.00 0.00 WT3 H ATOM 43326 H2 TIP3 5931 33.410 85.924 58.702 1.00 0.00 WT3 H ATOM 43327 OH2 TIP3 5932 29.381 45.698 43.904 1.00 0.00 WT3 O ATOM 43328 H1 TIP3 5932 29.935 45.670 44.685 1.00 0.00 WT3 H ATOM 43329 H2 TIP3 5932 29.502 46.581 43.556 1.00 0.00 WT3 H ATOM 43330 OH2 TIP3 5934 65.559 2.807 64.495 1.00 0.00 WT3 O ATOM 43331 H1 TIP3 5934 66.452 2.478 64.392 1.00 0.00 WT3 H ATOM 43332 H2 TIP3 5934 65.177 2.740 63.620 1.00 0.00 WT3 H ATOM 43333 OH2 TIP3 5935 60.382 86.628 12.008 1.00 0.00 WT3 O ATOM 43334 H1 TIP3 5935 61.082 86.346 11.420 1.00 0.00 WT3 H ATOM 43335 H2 TIP3 5935 60.683 86.370 12.880 1.00 0.00 WT3 H ATOM 43336 OH2 TIP3 5936 31.927 49.834 8.763 1.00 0.00 WT3 O ATOM 43337 H1 TIP3 5936 32.014 49.055 9.314 1.00 0.00 WT3 H ATOM 43338 H2 TIP3 5936 32.798 50.230 8.771 1.00 0.00 WT3 H ATOM 43339 OH2 TIP3 5938 63.126 31.895 12.737 1.00 0.00 WT3 O ATOM 43340 H1 TIP3 5938 62.470 31.614 13.376 1.00 0.00 WT3 H ATOM 43341 H2 TIP3 5938 62.800 32.735 12.413 1.00 0.00 WT3 H ATOM 43342 OH2 TIP3 5939 26.871 70.780 59.720 1.00 0.00 WT3 O ATOM 43343 H1 TIP3 5939 26.259 70.123 59.386 1.00 0.00 WT3 H ATOM 43344 H2 TIP3 5939 27.006 71.377 58.985 1.00 0.00 WT3 H ATOM 43345 OH2 TIP3 5942 24.483 78.394 0.478 1.00 0.00 WT3 O ATOM 43346 H1 TIP3 5942 25.296 78.168 0.026 1.00 0.00 WT3 H ATOM 43347 H2 TIP3 5942 23.964 78.860 -0.178 1.00 0.00 WT3 H ATOM 43348 OH2 TIP3 5945 71.744 71.462 -18.665 1.00 0.00 WT3 O ATOM 43349 H1 TIP3 5945 72.682 71.548 -18.837 1.00 0.00 WT3 H ATOM 43350 H2 TIP3 5945 71.556 70.536 -18.822 1.00 0.00 WT3 H ATOM 43351 OH2 TIP3 5948 74.402 92.360 11.240 1.00 0.00 WT3 O ATOM 43352 H1 TIP3 5948 74.643 92.692 10.375 1.00 0.00 WT3 H ATOM 43353 H2 TIP3 5948 74.025 93.116 11.691 1.00 0.00 WT3 H ATOM 43354 OH2 TIP3 5949 38.131 16.620 52.513 1.00 0.00 WT3 O ATOM 43355 H1 TIP3 5949 38.613 15.940 52.983 1.00 0.00 WT3 H ATOM 43356 H2 TIP3 5949 38.650 17.414 52.639 1.00 0.00 WT3 H ATOM 43357 OH2 TIP3 5951 35.895 56.259 4.381 1.00 0.00 WT3 O ATOM 43358 H1 TIP3 5951 36.367 55.958 5.158 1.00 0.00 WT3 H ATOM 43359 H2 TIP3 5951 36.583 56.523 3.770 1.00 0.00 WT3 H ATOM 43360 OH2 TIP3 5952 70.227 34.350 -1.543 1.00 0.00 WT3 O ATOM 43361 H1 TIP3 5952 70.594 34.963 -0.907 1.00 0.00 WT3 H ATOM 43362 H2 TIP3 5952 69.296 34.571 -1.581 1.00 0.00 WT3 H ATOM 43363 OH2 TIP3 5953 76.917 36.546 57.408 1.00 0.00 WT3 O ATOM 43364 H1 TIP3 5953 77.726 36.215 57.019 1.00 0.00 WT3 H ATOM 43365 H2 TIP3 5953 77.208 37.159 58.083 1.00 0.00 WT3 H ATOM 43366 OH2 TIP3 5954 28.459 58.354 42.217 1.00 0.00 WT3 O ATOM 43367 H1 TIP3 5954 28.655 58.966 41.508 1.00 0.00 WT3 H ATOM 43368 H2 TIP3 5954 27.795 57.769 41.852 1.00 0.00 WT3 H ATOM 43369 OH2 TIP3 5955 81.092 25.452 52.319 1.00 0.00 WT3 O ATOM 43370 H1 TIP3 5955 81.898 25.148 52.737 1.00 0.00 WT3 H ATOM 43371 H2 TIP3 5955 80.701 24.661 51.949 1.00 0.00 WT3 H ATOM 43372 OH2 TIP3 5956 43.213 81.158 45.423 1.00 0.00 WT3 O ATOM 43373 H1 TIP3 5956 43.265 80.728 44.569 1.00 0.00 WT3 H ATOM 43374 H2 TIP3 5956 42.359 81.591 45.422 1.00 0.00 WT3 H ATOM 43375 OH2 TIP3 5957 69.442 87.734 53.477 1.00 0.00 WT3 O ATOM 43376 H1 TIP3 5957 68.620 87.260 53.605 1.00 0.00 WT3 H ATOM 43377 H2 TIP3 5957 69.797 87.382 52.661 1.00 0.00 WT3 H ATOM 43378 OH2 TIP3 5959 29.699 23.463 3.706 1.00 0.00 WT3 O ATOM 43379 H1 TIP3 5959 30.054 23.149 4.537 1.00 0.00 WT3 H ATOM 43380 H2 TIP3 5959 30.026 24.359 3.628 1.00 0.00 WT3 H ATOM 43381 OH2 TIP3 5965 80.808 83.657 21.809 1.00 0.00 WT3 O ATOM 43382 H1 TIP3 5965 81.703 83.331 21.906 1.00 0.00 WT3 H ATOM 43383 H2 TIP3 5965 80.899 84.610 21.806 1.00 0.00 WT3 H ATOM 43384 OH2 TIP3 5971 87.422 4.270 48.505 1.00 0.00 WT3 O ATOM 43385 H1 TIP3 5971 87.455 4.954 49.174 1.00 0.00 WT3 H ATOM 43386 H2 TIP3 5971 86.775 3.645 48.832 1.00 0.00 WT3 H ATOM 43387 OH2 TIP3 5972 35.834 85.571 -3.128 1.00 0.00 WT3 O ATOM 43388 H1 TIP3 5972 35.474 85.691 -2.249 1.00 0.00 WT3 H ATOM 43389 H2 TIP3 5972 35.478 86.301 -3.634 1.00 0.00 WT3 H ATOM 43390 OH2 TIP3 5975 80.209 71.752 49.097 1.00 0.00 WT3 O ATOM 43391 H1 TIP3 5975 80.427 71.293 49.908 1.00 0.00 WT3 H ATOM 43392 H2 TIP3 5975 80.283 71.083 48.416 1.00 0.00 WT3 H ATOM 43393 OH2 TIP3 5977 71.411 92.034 1.958 1.00 0.00 WT3 O ATOM 43394 H1 TIP3 5977 71.610 92.966 2.040 1.00 0.00 WT3 H ATOM 43395 H2 TIP3 5977 70.884 91.970 1.161 1.00 0.00 WT3 H ATOM 43396 OH2 TIP3 5981 71.185 1.123 47.827 1.00 0.00 WT3 O ATOM 43397 H1 TIP3 5981 71.064 1.140 48.777 1.00 0.00 WT3 H ATOM 43398 H2 TIP3 5981 72.014 0.661 47.699 1.00 0.00 WT3 H ATOM 43399 OH2 TIP3 5983 66.110 73.932 62.426 1.00 0.00 WT3 O ATOM 43400 H1 TIP3 5983 65.709 74.688 61.995 1.00 0.00 WT3 H ATOM 43401 H2 TIP3 5983 66.081 74.144 63.359 1.00 0.00 WT3 H ATOM 43402 OH2 TIP3 5985 47.296 96.205 35.248 1.00 0.00 WT3 O ATOM 43403 H1 TIP3 5985 47.742 95.390 35.018 1.00 0.00 WT3 H ATOM 43404 H2 TIP3 5985 47.987 96.763 35.606 1.00 0.00 WT3 H ATOM 43405 OH2 TIP3 5994 76.638 42.836 5.702 1.00 0.00 WT3 O ATOM 43406 H1 TIP3 5994 76.332 43.249 6.510 1.00 0.00 WT3 H ATOM 43407 H2 TIP3 5994 76.475 43.489 5.022 1.00 0.00 WT3 H ATOM 43408 OH2 TIP3 5996 44.550 88.720 45.079 1.00 0.00 WT3 O ATOM 43409 H1 TIP3 5996 45.034 89.182 44.394 1.00 0.00 WT3 H ATOM 43410 H2 TIP3 5996 44.397 87.847 44.717 1.00 0.00 WT3 H ATOM 43411 OH2 TIP3 6004 54.142 83.889 -12.132 1.00 0.00 WT3 O ATOM 43412 H1 TIP3 6004 54.092 83.256 -11.415 1.00 0.00 WT3 H ATOM 43413 H2 TIP3 6004 54.946 83.660 -12.598 1.00 0.00 WT3 H ATOM 43414 OH2 TIP3 6090 56.969 37.144 -6.342 1.00 0.00 WT3 O ATOM 43415 H1 TIP3 6090 56.092 36.771 -6.254 1.00 0.00 WT3 H ATOM 43416 H2 TIP3 6090 57.279 37.241 -5.442 1.00 0.00 WT3 H ATOM 43417 OH2 TIP3 6091 72.824 59.809 -4.140 1.00 0.00 WT3 O ATOM 43418 H1 TIP3 6091 72.675 60.701 -3.828 1.00 0.00 WT3 H ATOM 43419 H2 TIP3 6091 72.180 59.279 -3.671 1.00 0.00 WT3 H ATOM 43420 OH2 TIP3 6107 50.155 30.790 38.806 1.00 0.00 WT3 O ATOM 43421 H1 TIP3 6107 51.017 30.580 39.166 1.00 0.00 WT3 H ATOM 43422 H2 TIP3 6107 50.250 30.660 37.863 1.00 0.00 WT3 H ATOM 43423 OH2 TIP3 6110 67.139 63.498 66.002 1.00 0.00 WT3 O ATOM 43424 H1 TIP3 6110 67.541 63.232 65.175 1.00 0.00 WT3 H ATOM 43425 H2 TIP3 6110 66.198 63.427 65.846 1.00 0.00 WT3 H ATOM 43426 OH2 TIP3 6126 54.750 76.476 41.538 1.00 0.00 WT3 O ATOM 43427 H1 TIP3 6126 55.493 76.928 41.137 1.00 0.00 WT3 H ATOM 43428 H2 TIP3 6126 54.346 75.992 40.817 1.00 0.00 WT3 H ATOM 43429 OH2 TIP3 6131 28.094 86.419 -14.177 1.00 0.00 WT3 O ATOM 43430 H1 TIP3 6131 28.444 86.641 -15.040 1.00 0.00 WT3 H ATOM 43431 H2 TIP3 6131 28.250 87.200 -13.646 1.00 0.00 WT3 H ATOM 43432 OH2 TIP3 6134 62.679 37.624 40.153 1.00 0.00 WT3 O ATOM 43433 H1 TIP3 6134 61.861 37.265 39.808 1.00 0.00 WT3 H ATOM 43434 H2 TIP3 6134 63.317 37.480 39.454 1.00 0.00 WT3 H ATOM 43435 OH2 TIP3 6136 59.837 93.834 21.400 1.00 0.00 WT3 O ATOM 43436 H1 TIP3 6136 60.145 92.943 21.567 1.00 0.00 WT3 H ATOM 43437 H2 TIP3 6136 58.927 93.834 21.698 1.00 0.00 WT3 H ATOM 43438 OH2 TIP3 6138 37.160 64.739 -15.465 1.00 0.00 WT3 O ATOM 43439 H1 TIP3 6138 38.030 64.677 -15.071 1.00 0.00 WT3 H ATOM 43440 H2 TIP3 6138 36.567 64.842 -14.721 1.00 0.00 WT3 H ATOM 43441 OH2 TIP3 6146 29.169 59.478 45.034 1.00 0.00 WT3 O ATOM 43442 H1 TIP3 6146 28.651 59.197 45.788 1.00 0.00 WT3 H ATOM 43443 H2 TIP3 6146 29.763 60.142 45.385 1.00 0.00 WT3 H ATOM 43444 OH2 TIP3 6147 71.271 9.011 -11.371 1.00 0.00 WT3 O ATOM 43445 H1 TIP3 6147 71.760 8.225 -11.128 1.00 0.00 WT3 H ATOM 43446 H2 TIP3 6147 71.165 9.491 -10.550 1.00 0.00 WT3 H ATOM 43447 OH2 TIP3 6157 90.372 66.702 -19.189 1.00 0.00 WT3 O ATOM 43448 H1 TIP3 6157 90.496 67.118 -18.336 1.00 0.00 WT3 H ATOM 43449 H2 TIP3 6157 89.430 66.539 -19.242 1.00 0.00 WT3 H ATOM 43450 OH2 TIP3 6158 35.683 29.951 5.347 1.00 0.00 WT3 O ATOM 43451 H1 TIP3 6158 36.421 29.946 4.738 1.00 0.00 WT3 H ATOM 43452 H2 TIP3 6158 34.915 29.799 4.796 1.00 0.00 WT3 H ATOM 43453 OH2 TIP3 6163 52.993 75.650 -7.360 1.00 0.00 WT3 O ATOM 43454 H1 TIP3 6163 52.460 76.053 -8.045 1.00 0.00 WT3 H ATOM 43455 H2 TIP3 6163 52.391 75.529 -6.626 1.00 0.00 WT3 H ATOM 43456 OH2 TIP3 6166 77.440 7.845 55.025 1.00 0.00 WT3 O ATOM 43457 H1 TIP3 6166 78.270 7.430 55.259 1.00 0.00 WT3 H ATOM 43458 H2 TIP3 6166 77.109 7.323 54.294 1.00 0.00 WT3 H ATOM 43459 OH2 TIP3 6174 21.073 48.892 13.135 1.00 0.00 WT3 O ATOM 43460 H1 TIP3 6174 21.107 47.956 13.333 1.00 0.00 WT3 H ATOM 43461 H2 TIP3 6174 21.950 49.102 12.814 1.00 0.00 WT3 H ATOM 43462 OH2 TIP3 6176 89.485 4.187 -8.436 1.00 0.00 WT3 O ATOM 43463 H1 TIP3 6176 88.915 3.495 -8.771 1.00 0.00 WT3 H ATOM 43464 H2 TIP3 6176 90.299 3.738 -8.207 1.00 0.00 WT3 H ATOM 43465 OH2 TIP3 6177 81.839 30.732 32.954 1.00 0.00 WT3 O ATOM 43466 H1 TIP3 6177 82.120 30.135 32.261 1.00 0.00 WT3 H ATOM 43467 H2 TIP3 6177 81.521 31.507 32.490 1.00 0.00 WT3 H ATOM 43468 OH2 TIP3 6178 39.990 80.110 1.467 1.00 0.00 WT3 O ATOM 43469 H1 TIP3 6178 40.329 79.387 1.994 1.00 0.00 WT3 H ATOM 43470 H2 TIP3 6178 40.288 80.898 1.921 1.00 0.00 WT3 H ATOM 43471 OH2 TIP3 6179 48.742 50.978 36.601 1.00 0.00 WT3 O ATOM 43472 H1 TIP3 6179 49.481 51.462 36.233 1.00 0.00 WT3 H ATOM 43473 H2 TIP3 6179 48.378 50.495 35.859 1.00 0.00 WT3 H ATOM 43474 OH2 TIP3 6181 47.428 35.858 15.462 1.00 0.00 WT3 O ATOM 43475 H1 TIP3 6181 47.208 35.587 16.354 1.00 0.00 WT3 H ATOM 43476 H2 TIP3 6181 46.832 35.357 14.905 1.00 0.00 WT3 H ATOM 43477 OH2 TIP3 6183 51.515 33.501 -4.728 1.00 0.00 WT3 O ATOM 43478 H1 TIP3 6183 51.753 33.957 -5.535 1.00 0.00 WT3 H ATOM 43479 H2 TIP3 6183 50.878 34.078 -4.306 1.00 0.00 WT3 H ATOM 43480 OH2 TIP3 6189 72.560 75.508 51.093 1.00 0.00 WT3 O ATOM 43481 H1 TIP3 6189 73.419 75.874 50.879 1.00 0.00 WT3 H ATOM 43482 H2 TIP3 6189 72.055 75.592 50.285 1.00 0.00 WT3 H ATOM 43483 OH2 TIP3 6192 28.803 7.432 61.836 1.00 0.00 WT3 O ATOM 43484 H1 TIP3 6192 29.339 8.190 61.604 1.00 0.00 WT3 H ATOM 43485 H2 TIP3 6192 29.224 6.695 61.393 1.00 0.00 WT3 H ATOM 43486 OH2 TIP3 6194 63.788 75.010 38.811 1.00 0.00 WT3 O ATOM 43487 H1 TIP3 6194 62.850 75.012 39.001 1.00 0.00 WT3 H ATOM 43488 H2 TIP3 6194 63.841 74.884 37.864 1.00 0.00 WT3 H ATOM 43489 OH2 TIP3 6195 75.031 20.361 -17.648 1.00 0.00 WT3 O ATOM 43490 H1 TIP3 6195 75.386 19.570 -18.056 1.00 0.00 WT3 H ATOM 43491 H2 TIP3 6195 74.132 20.414 -17.971 1.00 0.00 WT3 H ATOM 43492 OH2 TIP3 6198 49.526 34.382 -3.119 1.00 0.00 WT3 O ATOM 43493 H1 TIP3 6198 49.519 34.287 -2.167 1.00 0.00 WT3 H ATOM 43494 H2 TIP3 6198 48.832 35.017 -3.301 1.00 0.00 WT3 H ATOM 43495 OH2 TIP3 6199 38.442 45.028 32.345 1.00 0.00 WT3 O ATOM 43496 H1 TIP3 6199 39.340 44.705 32.264 1.00 0.00 WT3 H ATOM 43497 H2 TIP3 6199 38.241 45.396 31.484 1.00 0.00 WT3 H ATOM 43498 OH2 TIP3 6200 83.800 64.054 -18.404 1.00 0.00 WT3 O ATOM 43499 H1 TIP3 6200 83.998 63.294 -17.856 1.00 0.00 WT3 H ATOM 43500 H2 TIP3 6200 84.020 64.808 -17.856 1.00 0.00 WT3 H ATOM 43501 OH2 TIP3 6202 39.537 14.627 63.386 1.00 0.00 WT3 O ATOM 43502 H1 TIP3 6202 39.104 14.992 64.158 1.00 0.00 WT3 H ATOM 43503 H2 TIP3 6202 39.335 15.245 62.683 1.00 0.00 WT3 H ATOM 43504 OH2 TIP3 6203 71.644 29.419 -3.687 1.00 0.00 WT3 O ATOM 43505 H1 TIP3 6203 70.853 29.609 -3.182 1.00 0.00 WT3 H ATOM 43506 H2 TIP3 6203 72.259 30.108 -3.439 1.00 0.00 WT3 H ATOM 43507 OH2 TIP3 6205 87.156 81.717 64.141 1.00 0.00 WT3 O ATOM 43508 H1 TIP3 6205 87.585 82.295 63.511 1.00 0.00 WT3 H ATOM 43509 H2 TIP3 6205 87.638 80.893 64.077 1.00 0.00 WT3 H ATOM 43510 OH2 TIP3 6207 69.184 52.809 -6.886 1.00 0.00 WT3 O ATOM 43511 H1 TIP3 6207 69.607 52.255 -6.230 1.00 0.00 WT3 H ATOM 43512 H2 TIP3 6207 68.355 53.067 -6.483 1.00 0.00 WT3 H ATOM 43513 OH2 TIP3 6212 79.082 82.627 12.191 1.00 0.00 WT3 O ATOM 43514 H1 TIP3 6212 79.858 82.604 12.751 1.00 0.00 WT3 H ATOM 43515 H2 TIP3 6212 79.103 83.495 11.787 1.00 0.00 WT3 H ATOM 43516 OH2 TIP3 6213 63.459 88.500 40.296 1.00 0.00 WT3 O ATOM 43517 H1 TIP3 6213 62.636 88.034 40.153 1.00 0.00 WT3 H ATOM 43518 H2 TIP3 6213 63.939 87.954 40.919 1.00 0.00 WT3 H ATOM 43519 OH2 TIP3 6214 34.261 89.413 21.657 1.00 0.00 WT3 O ATOM 43520 H1 TIP3 6214 34.506 90.243 21.247 1.00 0.00 WT3 H ATOM 43521 H2 TIP3 6214 35.023 89.172 22.185 1.00 0.00 WT3 H ATOM 43522 OH2 TIP3 6215 67.968 56.045 -15.715 1.00 0.00 WT3 O ATOM 43523 H1 TIP3 6215 68.617 56.533 -16.221 1.00 0.00 WT3 H ATOM 43524 H2 TIP3 6215 67.744 55.297 -16.269 1.00 0.00 WT3 H ATOM 43525 OH2 TIP3 6216 63.650 45.329 48.058 1.00 0.00 WT3 O ATOM 43526 H1 TIP3 6216 64.251 46.065 48.177 1.00 0.00 WT3 H ATOM 43527 H2 TIP3 6216 63.173 45.537 47.254 1.00 0.00 WT3 H ATOM 43528 OH2 TIP3 6217 88.430 0.693 -7.219 1.00 0.00 WT3 O ATOM 43529 H1 TIP3 6217 88.060 1.195 -7.944 1.00 0.00 WT3 H ATOM 43530 H2 TIP3 6217 89.127 1.249 -6.872 1.00 0.00 WT3 H ATOM 43531 OH2 TIP3 6218 69.120 81.300 -2.811 1.00 0.00 WT3 O ATOM 43532 H1 TIP3 6218 69.257 80.372 -3.002 1.00 0.00 WT3 H ATOM 43533 H2 TIP3 6218 68.303 81.519 -3.258 1.00 0.00 WT3 H ATOM 43534 OH2 TIP3 6219 89.748 58.082 64.747 1.00 0.00 WT3 O ATOM 43535 H1 TIP3 6219 89.787 57.770 63.843 1.00 0.00 WT3 H ATOM 43536 H2 TIP3 6219 90.043 58.991 64.700 1.00 0.00 WT3 H ATOM 43537 OH2 TIP3 6220 82.106 51.985 19.306 1.00 0.00 WT3 O ATOM 43538 H1 TIP3 6220 82.137 51.967 18.350 1.00 0.00 WT3 H ATOM 43539 H2 TIP3 6220 82.604 51.214 19.578 1.00 0.00 WT3 H ATOM 43540 OH2 TIP3 6221 74.785 43.857 58.950 1.00 0.00 WT3 O ATOM 43541 H1 TIP3 6221 75.338 43.469 58.271 1.00 0.00 WT3 H ATOM 43542 H2 TIP3 6221 74.411 44.636 58.538 1.00 0.00 WT3 H ATOM 43543 OH2 TIP3 6223 27.029 93.124 10.460 1.00 0.00 WT3 O ATOM 43544 H1 TIP3 6223 26.875 94.069 10.433 1.00 0.00 WT3 H ATOM 43545 H2 TIP3 6223 26.297 92.747 9.972 1.00 0.00 WT3 H ATOM 43546 OH2 TIP3 6224 70.947 60.550 20.970 1.00 0.00 WT3 O ATOM 43547 H1 TIP3 6224 70.193 60.220 20.481 1.00 0.00 WT3 H ATOM 43548 H2 TIP3 6224 70.608 61.302 21.455 1.00 0.00 WT3 H ATOM 43549 OH2 TIP3 6225 67.520 55.418 28.087 1.00 0.00 WT3 O ATOM 43550 H1 TIP3 6225 67.403 55.246 27.152 1.00 0.00 WT3 H ATOM 43551 H2 TIP3 6225 66.858 54.875 28.515 1.00 0.00 WT3 H ATOM 43552 OH2 TIP3 6227 78.085 44.596 29.406 1.00 0.00 WT3 O ATOM 43553 H1 TIP3 6227 79.024 44.421 29.356 1.00 0.00 WT3 H ATOM 43554 H2 TIP3 6227 77.673 43.764 29.171 1.00 0.00 WT3 H ATOM 43555 OH2 TIP3 6230 81.631 75.196 12.698 1.00 0.00 WT3 O ATOM 43556 H1 TIP3 6230 81.790 75.141 13.641 1.00 0.00 WT3 H ATOM 43557 H2 TIP3 6230 82.503 75.275 12.312 1.00 0.00 WT3 H ATOM 43558 OH2 TIP3 6231 60.105 93.280 25.632 1.00 0.00 WT3 O ATOM 43559 H1 TIP3 6231 60.463 92.634 25.024 1.00 0.00 WT3 H ATOM 43560 H2 TIP3 6231 60.218 94.119 25.185 1.00 0.00 WT3 H ATOM 43561 OH2 TIP3 6232 88.705 72.570 48.736 1.00 0.00 WT3 O ATOM 43562 H1 TIP3 6232 88.227 71.743 48.807 1.00 0.00 WT3 H ATOM 43563 H2 TIP3 6232 88.096 73.228 49.071 1.00 0.00 WT3 H ATOM 43564 OH2 TIP3 6233 36.756 72.429 -6.390 1.00 0.00 WT3 O ATOM 43565 H1 TIP3 6233 36.305 72.279 -5.558 1.00 0.00 WT3 H ATOM 43566 H2 TIP3 6233 36.095 72.246 -7.057 1.00 0.00 WT3 H ATOM 43567 OH2 TIP3 6235 41.773 79.554 60.125 1.00 0.00 WT3 O ATOM 43568 H1 TIP3 6235 40.871 79.719 60.399 1.00 0.00 WT3 H ATOM 43569 H2 TIP3 6235 41.901 78.617 60.269 1.00 0.00 WT3 H ATOM 43570 OH2 TIP3 6236 79.908 86.036 20.142 1.00 0.00 WT3 O ATOM 43571 H1 TIP3 6236 80.161 85.422 19.452 1.00 0.00 WT3 H ATOM 43572 H2 TIP3 6236 79.408 85.506 20.763 1.00 0.00 WT3 H ATOM 43573 OH2 TIP3 6237 76.361 16.335 5.356 1.00 0.00 WT3 O ATOM 43574 H1 TIP3 6237 75.890 17.123 5.626 1.00 0.00 WT3 H ATOM 43575 H2 TIP3 6237 76.236 16.293 4.408 1.00 0.00 WT3 H ATOM 43576 OH2 TIP3 6238 34.355 38.627 47.539 1.00 0.00 WT3 O ATOM 43577 H1 TIP3 6238 34.846 39.420 47.326 1.00 0.00 WT3 H ATOM 43578 H2 TIP3 6238 34.354 38.120 46.727 1.00 0.00 WT3 H ATOM 43579 OH2 TIP3 6240 71.189 93.918 56.615 1.00 0.00 WT3 O ATOM 43580 H1 TIP3 6240 70.934 92.996 56.644 1.00 0.00 WT3 H ATOM 43581 H2 TIP3 6240 71.306 94.106 55.684 1.00 0.00 WT3 H ATOM 43582 OH2 TIP3 6241 81.481 0.478 13.116 1.00 0.00 WT3 O ATOM 43583 H1 TIP3 6241 81.072 -0.241 12.634 1.00 0.00 WT3 H ATOM 43584 H2 TIP3 6241 82.421 0.331 13.016 1.00 0.00 WT3 H ATOM 43585 OH2 TIP3 6242 26.693 34.643 13.725 1.00 0.00 WT3 O ATOM 43586 H1 TIP3 6242 27.518 34.336 13.350 1.00 0.00 WT3 H ATOM 43587 H2 TIP3 6242 26.349 35.258 13.078 1.00 0.00 WT3 H ATOM 43588 OH2 TIP3 6243 48.881 67.678 54.630 1.00 0.00 WT3 O ATOM 43589 H1 TIP3 6243 49.158 66.783 54.827 1.00 0.00 WT3 H ATOM 43590 H2 TIP3 6243 48.942 67.744 53.677 1.00 0.00 WT3 H ATOM 43591 OH2 TIP3 6245 78.808 88.394 40.518 1.00 0.00 WT3 O ATOM 43592 H1 TIP3 6245 79.135 88.809 41.316 1.00 0.00 WT3 H ATOM 43593 H2 TIP3 6245 78.765 89.105 39.878 1.00 0.00 WT3 H ATOM 43594 OH2 TIP3 6246 52.175 11.218 14.985 1.00 0.00 WT3 O ATOM 43595 H1 TIP3 6246 52.495 12.034 15.371 1.00 0.00 WT3 H ATOM 43596 H2 TIP3 6246 51.267 11.404 14.749 1.00 0.00 WT3 H ATOM 43597 OH2 TIP3 6247 35.061 71.657 33.104 1.00 0.00 WT3 O ATOM 43598 H1 TIP3 6247 35.154 72.226 33.869 1.00 0.00 WT3 H ATOM 43599 H2 TIP3 6247 35.947 71.586 32.750 1.00 0.00 WT3 H ATOM 43600 OH2 TIP3 6248 37.010 67.720 62.778 1.00 0.00 WT3 O ATOM 43601 H1 TIP3 6248 36.197 68.188 62.588 1.00 0.00 WT3 H ATOM 43602 H2 TIP3 6248 36.747 66.803 62.854 1.00 0.00 WT3 H ATOM 43603 OH2 TIP3 6249 26.889 23.468 -5.817 1.00 0.00 WT3 O ATOM 43604 H1 TIP3 6249 27.748 23.891 -5.815 1.00 0.00 WT3 H ATOM 43605 H2 TIP3 6249 26.621 23.465 -4.898 1.00 0.00 WT3 H ATOM 43606 OH2 TIP3 6250 80.509 24.884 4.749 1.00 0.00 WT3 O ATOM 43607 H1 TIP3 6250 81.133 25.294 5.348 1.00 0.00 WT3 H ATOM 43608 H2 TIP3 6250 79.763 24.650 5.302 1.00 0.00 WT3 H ATOM 43609 OH2 TIP3 6251 72.752 82.255 10.419 1.00 0.00 WT3 O ATOM 43610 H1 TIP3 6251 72.322 81.404 10.506 1.00 0.00 WT3 H ATOM 43611 H2 TIP3 6251 72.870 82.368 9.476 1.00 0.00 WT3 H ATOM 43612 OH2 TIP3 6253 88.559 22.868 31.837 1.00 0.00 WT3 O ATOM 43613 H1 TIP3 6253 89.251 22.964 31.183 1.00 0.00 WT3 H ATOM 43614 H2 TIP3 6253 88.473 23.739 32.225 1.00 0.00 WT3 H ATOM 43615 OH2 TIP3 6254 70.588 35.838 21.651 1.00 0.00 WT3 O ATOM 43616 H1 TIP3 6254 70.931 34.977 21.888 1.00 0.00 WT3 H ATOM 43617 H2 TIP3 6254 69.943 35.660 20.967 1.00 0.00 WT3 H ATOM 43618 OH2 TIP3 6255 21.052 83.693 5.206 1.00 0.00 WT3 O ATOM 43619 H1 TIP3 6255 20.971 82.796 5.530 1.00 0.00 WT3 H ATOM 43620 H2 TIP3 6255 20.205 84.095 5.400 1.00 0.00 WT3 H ATOM 43621 OH2 TIP3 6256 63.078 22.303 63.460 1.00 0.00 WT3 O ATOM 43622 H1 TIP3 6256 63.148 21.356 63.575 1.00 0.00 WT3 H ATOM 43623 H2 TIP3 6256 63.884 22.652 63.841 1.00 0.00 WT3 H ATOM 43624 OH2 TIP3 6257 77.247 61.607 4.576 1.00 0.00 WT3 O ATOM 43625 H1 TIP3 6257 77.271 60.673 4.787 1.00 0.00 WT3 H ATOM 43626 H2 TIP3 6257 77.138 62.041 5.421 1.00 0.00 WT3 H ATOM 43627 OH2 TIP3 6258 65.332 79.995 1.644 1.00 0.00 WT3 O ATOM 43628 H1 TIP3 6258 64.593 80.081 2.246 1.00 0.00 WT3 H ATOM 43629 H2 TIP3 6258 65.945 80.677 1.917 1.00 0.00 WT3 H ATOM 43630 OH2 TIP3 6260 60.102 73.961 -16.661 1.00 0.00 WT3 O ATOM 43631 H1 TIP3 6260 60.049 73.831 -15.714 1.00 0.00 WT3 H ATOM 43632 H2 TIP3 6260 60.045 73.078 -17.027 1.00 0.00 WT3 H ATOM 43633 OH2 TIP3 6261 67.368 79.795 27.897 1.00 0.00 WT3 O ATOM 43634 H1 TIP3 6261 67.794 80.652 27.892 1.00 0.00 WT3 H ATOM 43635 H2 TIP3 6261 67.568 79.422 27.039 1.00 0.00 WT3 H ATOM 43636 OH2 TIP3 6263 23.672 3.105 -8.772 1.00 0.00 WT3 O ATOM 43637 H1 TIP3 6263 23.909 2.371 -8.205 1.00 0.00 WT3 H ATOM 43638 H2 TIP3 6263 23.848 2.790 -9.658 1.00 0.00 WT3 H ATOM 43639 OH2 TIP3 6264 70.789 8.185 2.943 1.00 0.00 WT3 O ATOM 43640 H1 TIP3 6264 70.882 7.329 3.360 1.00 0.00 WT3 H ATOM 43641 H2 TIP3 6264 70.142 8.644 3.479 1.00 0.00 WT3 H ATOM 43642 OH2 TIP3 6266 70.239 35.730 -12.497 1.00 0.00 WT3 O ATOM 43643 H1 TIP3 6266 70.093 34.868 -12.886 1.00 0.00 WT3 H ATOM 43644 H2 TIP3 6266 70.941 35.591 -11.861 1.00 0.00 WT3 H ATOM 43645 OH2 TIP3 6268 61.103 95.083 9.124 1.00 0.00 WT3 O ATOM 43646 H1 TIP3 6268 60.457 94.434 8.848 1.00 0.00 WT3 H ATOM 43647 H2 TIP3 6268 61.851 94.566 9.423 1.00 0.00 WT3 H ATOM 43648 OH2 TIP3 6269 52.367 24.341 -13.096 1.00 0.00 WT3 O ATOM 43649 H1 TIP3 6269 52.998 24.494 -12.393 1.00 0.00 WT3 H ATOM 43650 H2 TIP3 6269 52.041 25.213 -13.320 1.00 0.00 WT3 H ATOM 43651 OH2 TIP3 6270 67.105 36.985 35.887 1.00 0.00 WT3 O ATOM 43652 H1 TIP3 6270 67.645 37.252 35.143 1.00 0.00 WT3 H ATOM 43653 H2 TIP3 6270 66.362 37.588 35.872 1.00 0.00 WT3 H ATOM 43654 OH2 TIP3 6271 24.733 25.822 27.138 1.00 0.00 WT3 O ATOM 43655 H1 TIP3 6271 25.466 26.278 26.725 1.00 0.00 WT3 H ATOM 43656 H2 TIP3 6271 24.193 25.522 26.406 1.00 0.00 WT3 H ATOM 43657 OH2 TIP3 6272 27.905 17.661 -9.008 1.00 0.00 WT3 O ATOM 43658 H1 TIP3 6272 27.992 16.718 -9.146 1.00 0.00 WT3 H ATOM 43659 H2 TIP3 6272 27.884 17.763 -8.057 1.00 0.00 WT3 H ATOM 43660 OH2 TIP3 6273 30.650 34.199 43.983 1.00 0.00 WT3 O ATOM 43661 H1 TIP3 6273 31.336 33.573 44.215 1.00 0.00 WT3 H ATOM 43662 H2 TIP3 6273 31.114 35.027 43.857 1.00 0.00 WT3 H ATOM 43663 OH2 TIP3 6274 82.793 4.795 1.964 1.00 0.00 WT3 O ATOM 43664 H1 TIP3 6274 83.179 4.160 1.361 1.00 0.00 WT3 H ATOM 43665 H2 TIP3 6274 82.210 4.277 2.519 1.00 0.00 WT3 H ATOM 43666 OH2 TIP3 6275 81.188 65.808 4.503 1.00 0.00 WT3 O ATOM 43667 H1 TIP3 6275 80.448 65.843 3.897 1.00 0.00 WT3 H ATOM 43668 H2 TIP3 6275 81.914 66.201 4.018 1.00 0.00 WT3 H ATOM 43669 OH2 TIP3 6276 55.527 -0.127 -4.824 1.00 0.00 WT3 O ATOM 43670 H1 TIP3 6276 55.665 -0.101 -3.877 1.00 0.00 WT3 H ATOM 43671 H2 TIP3 6276 54.833 0.513 -4.983 1.00 0.00 WT3 H ATOM 43672 OH2 TIP3 6277 38.819 49.264 50.392 1.00 0.00 WT3 O ATOM 43673 H1 TIP3 6277 39.215 49.156 49.527 1.00 0.00 WT3 H ATOM 43674 H2 TIP3 6277 38.828 50.209 50.545 1.00 0.00 WT3 H ATOM 43675 OH2 TIP3 6278 82.810 72.102 31.812 1.00 0.00 WT3 O ATOM 43676 H1 TIP3 6278 82.436 72.843 31.334 1.00 0.00 WT3 H ATOM 43677 H2 TIP3 6278 82.530 71.332 31.318 1.00 0.00 WT3 H ATOM 43678 OH2 TIP3 6279 64.551 11.740 28.944 1.00 0.00 WT3 O ATOM 43679 H1 TIP3 6279 64.636 10.790 28.866 1.00 0.00 WT3 H ATOM 43680 H2 TIP3 6279 63.916 11.867 29.649 1.00 0.00 WT3 H ATOM 43681 OH2 TIP3 6280 64.969 77.266 26.787 1.00 0.00 WT3 O ATOM 43682 H1 TIP3 6280 64.408 76.905 26.101 1.00 0.00 WT3 H ATOM 43683 H2 TIP3 6280 65.022 76.572 27.445 1.00 0.00 WT3 H ATOM 43684 OH2 TIP3 6281 89.493 84.478 45.099 1.00 0.00 WT3 O ATOM 43685 H1 TIP3 6281 88.960 85.195 45.442 1.00 0.00 WT3 H ATOM 43686 H2 TIP3 6281 90.371 84.851 45.015 1.00 0.00 WT3 H ATOM 43687 OH2 TIP3 6282 80.548 55.605 21.684 1.00 0.00 WT3 O ATOM 43688 H1 TIP3 6282 80.700 55.705 20.744 1.00 0.00 WT3 H ATOM 43689 H2 TIP3 6282 79.944 56.314 21.906 1.00 0.00 WT3 H ATOM 43690 OH2 TIP3 6283 53.379 68.589 41.981 1.00 0.00 WT3 O ATOM 43691 H1 TIP3 6283 52.961 67.766 41.728 1.00 0.00 WT3 H ATOM 43692 H2 TIP3 6283 54.114 68.325 42.534 1.00 0.00 WT3 H ATOM 43693 OH2 TIP3 6284 63.675 36.470 45.070 1.00 0.00 WT3 O ATOM 43694 H1 TIP3 6284 63.101 36.646 44.324 1.00 0.00 WT3 H ATOM 43695 H2 TIP3 6284 64.545 36.729 44.769 1.00 0.00 WT3 H ATOM 43696 OH2 TIP3 6285 59.173 15.010 -20.246 1.00 0.00 WT3 O ATOM 43697 H1 TIP3 6285 59.160 14.062 -20.115 1.00 0.00 WT3 H ATOM 43698 H2 TIP3 6285 58.768 15.367 -19.456 1.00 0.00 WT3 H ATOM 43699 OH2 TIP3 6286 71.854 73.362 62.593 1.00 0.00 WT3 O ATOM 43700 H1 TIP3 6286 70.979 73.713 62.755 1.00 0.00 WT3 H ATOM 43701 H2 TIP3 6286 71.734 72.737 61.878 1.00 0.00 WT3 H ATOM 43702 OH2 TIP3 6287 28.886 49.754 -8.408 1.00 0.00 WT3 O ATOM 43703 H1 TIP3 6287 29.673 49.701 -7.866 1.00 0.00 WT3 H ATOM 43704 H2 TIP3 6287 28.711 50.692 -8.485 1.00 0.00 WT3 H ATOM 43705 OH2 TIP3 6288 33.523 12.612 62.943 1.00 0.00 WT3 O ATOM 43706 H1 TIP3 6288 33.011 11.889 63.303 1.00 0.00 WT3 H ATOM 43707 H2 TIP3 6288 33.917 13.031 63.708 1.00 0.00 WT3 H ATOM 43708 OH2 TIP3 6289 78.053 13.437 -2.616 1.00 0.00 WT3 O ATOM 43709 H1 TIP3 6289 77.270 13.887 -2.934 1.00 0.00 WT3 H ATOM 43710 H2 TIP3 6289 77.863 13.246 -1.697 1.00 0.00 WT3 H ATOM 43711 OH2 TIP3 6290 20.109 94.762 -4.533 1.00 0.00 WT3 O ATOM 43712 H1 TIP3 6290 20.594 93.951 -4.375 1.00 0.00 WT3 H ATOM 43713 H2 TIP3 6290 19.934 95.110 -3.658 1.00 0.00 WT3 H ATOM 43714 OH2 TIP3 6292 80.592 4.865 54.021 1.00 0.00 WT3 O ATOM 43715 H1 TIP3 6292 81.212 4.653 53.323 1.00 0.00 WT3 H ATOM 43716 H2 TIP3 6292 79.768 5.036 53.566 1.00 0.00 WT3 H ATOM 43717 OH2 TIP3 6295 83.228 74.718 34.373 1.00 0.00 WT3 O ATOM 43718 H1 TIP3 6295 82.670 74.142 34.895 1.00 0.00 WT3 H ATOM 43719 H2 TIP3 6295 83.343 75.497 34.917 1.00 0.00 WT3 H ATOM 43720 OH2 TIP3 6296 27.024 43.081 11.260 1.00 0.00 WT3 O ATOM 43721 H1 TIP3 6296 27.213 43.651 12.005 1.00 0.00 WT3 H ATOM 43722 H2 TIP3 6296 26.080 42.929 11.307 1.00 0.00 WT3 H ATOM 43723 OH2 TIP3 6297 90.170 94.454 48.883 1.00 0.00 WT3 O ATOM 43724 H1 TIP3 6297 89.384 94.721 49.360 1.00 0.00 WT3 H ATOM 43725 H2 TIP3 6297 90.518 93.719 49.387 1.00 0.00 WT3 H ATOM 43726 OH2 TIP3 6298 40.922 82.928 15.209 1.00 0.00 WT3 O ATOM 43727 H1 TIP3 6298 40.211 83.515 15.467 1.00 0.00 WT3 H ATOM 43728 H2 TIP3 6298 40.829 82.169 15.784 1.00 0.00 WT3 H ATOM 43729 OH2 TIP3 6299 34.162 32.244 56.405 1.00 0.00 WT3 O ATOM 43730 H1 TIP3 6299 34.057 32.213 55.454 1.00 0.00 WT3 H ATOM 43731 H2 TIP3 6299 34.614 31.429 56.623 1.00 0.00 WT3 H ATOM 43732 OH2 TIP3 6300 40.793 0.449 59.405 1.00 0.00 WT3 O ATOM 43733 H1 TIP3 6300 40.146 0.050 58.824 1.00 0.00 WT3 H ATOM 43734 H2 TIP3 6300 40.969 1.306 59.015 1.00 0.00 WT3 H ATOM 43735 OH2 TIP3 6301 70.229 77.292 11.090 1.00 0.00 WT3 O ATOM 43736 H1 TIP3 6301 69.765 76.555 11.488 1.00 0.00 WT3 H ATOM 43737 H2 TIP3 6301 69.608 77.653 10.457 1.00 0.00 WT3 H ATOM 43738 OH2 TIP3 6303 67.372 89.478 -0.194 1.00 0.00 WT3 O ATOM 43739 H1 TIP3 6303 67.901 89.709 0.568 1.00 0.00 WT3 H ATOM 43740 H2 TIP3 6303 67.660 90.082 -0.879 1.00 0.00 WT3 H ATOM 43741 OH2 TIP3 6304 62.290 59.424 -13.554 1.00 0.00 WT3 O ATOM 43742 H1 TIP3 6304 62.911 59.819 -14.166 1.00 0.00 WT3 H ATOM 43743 H2 TIP3 6304 62.318 59.991 -12.784 1.00 0.00 WT3 H ATOM 43744 OH2 TIP3 6305 53.275 68.440 1.879 1.00 0.00 WT3 O ATOM 43745 H1 TIP3 6305 52.889 67.691 2.333 1.00 0.00 WT3 H ATOM 43746 H2 TIP3 6305 53.658 68.972 2.576 1.00 0.00 WT3 H ATOM 43747 OH2 TIP3 6307 54.829 15.709 7.607 1.00 0.00 WT3 O ATOM 43748 H1 TIP3 6307 54.160 15.383 8.208 1.00 0.00 WT3 H ATOM 43749 H2 TIP3 6307 54.335 16.085 6.879 1.00 0.00 WT3 H ATOM 43750 OH2 TIP3 6308 47.132 40.343 14.234 1.00 0.00 WT3 O ATOM 43751 H1 TIP3 6308 46.556 39.683 13.848 1.00 0.00 WT3 H ATOM 43752 H2 TIP3 6308 47.521 39.908 14.993 1.00 0.00 WT3 H ATOM 43753 OH2 TIP3 6309 71.047 94.615 -16.528 1.00 0.00 WT3 O ATOM 43754 H1 TIP3 6309 71.911 94.997 -16.682 1.00 0.00 WT3 H ATOM 43755 H2 TIP3 6309 70.440 95.349 -16.625 1.00 0.00 WT3 H ATOM 43756 OH2 TIP3 6311 72.428 94.578 24.096 1.00 0.00 WT3 O ATOM 43757 H1 TIP3 6311 72.404 93.773 24.614 1.00 0.00 WT3 H ATOM 43758 H2 TIP3 6311 71.607 94.572 23.605 1.00 0.00 WT3 H ATOM 43759 OH2 TIP3 6312 33.810 76.011 64.047 1.00 0.00 WT3 O ATOM 43760 H1 TIP3 6312 34.485 75.342 64.159 1.00 0.00 WT3 H ATOM 43761 H2 TIP3 6312 34.244 76.831 64.282 1.00 0.00 WT3 H ATOM 43762 OH2 TIP3 6313 81.889 90.705 43.688 1.00 0.00 WT3 O ATOM 43763 H1 TIP3 6313 82.383 91.523 43.741 1.00 0.00 WT3 H ATOM 43764 H2 TIP3 6313 82.211 90.183 44.423 1.00 0.00 WT3 H ATOM 43765 OH2 TIP3 6317 41.935 68.820 29.488 1.00 0.00 WT3 O ATOM 43766 H1 TIP3 6317 41.937 69.030 28.554 1.00 0.00 WT3 H ATOM 43767 H2 TIP3 6317 42.378 69.561 29.901 1.00 0.00 WT3 H ATOM 43768 OH2 TIP3 6318 85.745 54.655 44.304 1.00 0.00 WT3 O ATOM 43769 H1 TIP3 6318 85.620 55.084 43.458 1.00 0.00 WT3 H ATOM 43770 H2 TIP3 6318 85.827 55.376 44.928 1.00 0.00 WT3 H ATOM 43771 OH2 TIP3 6319 39.005 93.677 59.735 1.00 0.00 WT3 O ATOM 43772 H1 TIP3 6319 39.942 93.566 59.579 1.00 0.00 WT3 H ATOM 43773 H2 TIP3 6319 38.751 94.403 59.164 1.00 0.00 WT3 H ATOM 43774 OH2 TIP3 6320 62.204 86.599 0.212 1.00 0.00 WT3 O ATOM 43775 H1 TIP3 6320 62.835 86.554 0.930 1.00 0.00 WT3 H ATOM 43776 H2 TIP3 6320 62.559 87.265 -0.378 1.00 0.00 WT3 H ATOM 43777 OH2 TIP3 6321 87.505 92.546 34.329 1.00 0.00 WT3 O ATOM 43778 H1 TIP3 6321 88.067 91.778 34.225 1.00 0.00 WT3 H ATOM 43779 H2 TIP3 6321 88.112 93.284 34.376 1.00 0.00 WT3 H ATOM 43780 OH2 TIP3 6323 25.550 36.131 7.403 1.00 0.00 WT3 O ATOM 43781 H1 TIP3 6323 26.454 36.421 7.526 1.00 0.00 WT3 H ATOM 43782 H2 TIP3 6323 25.075 36.925 7.158 1.00 0.00 WT3 H ATOM 43783 OH2 TIP3 6325 84.738 64.563 35.672 1.00 0.00 WT3 O ATOM 43784 H1 TIP3 6325 84.047 64.672 36.325 1.00 0.00 WT3 H ATOM 43785 H2 TIP3 6325 84.342 64.017 34.993 1.00 0.00 WT3 H ATOM 43786 OH2 TIP3 6327 87.481 91.111 45.220 1.00 0.00 WT3 O ATOM 43787 H1 TIP3 6327 88.113 91.823 45.321 1.00 0.00 WT3 H ATOM 43788 H2 TIP3 6327 87.746 90.462 45.871 1.00 0.00 WT3 H ATOM 43789 OH2 TIP3 6328 58.941 79.857 14.144 1.00 0.00 WT3 O ATOM 43790 H1 TIP3 6328 58.826 80.243 15.012 1.00 0.00 WT3 H ATOM 43791 H2 TIP3 6328 58.304 79.143 14.112 1.00 0.00 WT3 H ATOM 43792 OH2 TIP3 6329 26.606 27.786 7.795 1.00 0.00 WT3 O ATOM 43793 H1 TIP3 6329 27.449 28.160 8.051 1.00 0.00 WT3 H ATOM 43794 H2 TIP3 6329 26.016 28.538 7.743 1.00 0.00 WT3 H ATOM 43795 OH2 TIP3 6330 43.489 88.542 51.812 1.00 0.00 WT3 O ATOM 43796 H1 TIP3 6330 44.289 88.493 52.335 1.00 0.00 WT3 H ATOM 43797 H2 TIP3 6330 43.748 88.219 50.948 1.00 0.00 WT3 H ATOM 43798 OH2 TIP3 6331 73.092 77.157 37.196 1.00 0.00 WT3 O ATOM 43799 H1 TIP3 6331 73.069 77.459 38.103 1.00 0.00 WT3 H ATOM 43800 H2 TIP3 6331 73.695 76.414 37.205 1.00 0.00 WT3 H ATOM 43801 OH2 TIP3 6332 24.572 66.139 60.461 1.00 0.00 WT3 O ATOM 43802 H1 TIP3 6332 24.259 66.180 59.557 1.00 0.00 WT3 H ATOM 43803 H2 TIP3 6332 24.248 65.300 60.789 1.00 0.00 WT3 H ATOM 43804 OH2 TIP3 6333 71.131 88.244 -3.312 1.00 0.00 WT3 O ATOM 43805 H1 TIP3 6333 70.722 88.180 -4.174 1.00 0.00 WT3 H ATOM 43806 H2 TIP3 6333 71.105 89.178 -3.103 1.00 0.00 WT3 H ATOM 43807 OH2 TIP3 6335 48.563 88.201 45.959 1.00 0.00 WT3 O ATOM 43808 H1 TIP3 6335 49.317 88.232 46.547 1.00 0.00 WT3 H ATOM 43809 H2 TIP3 6335 48.783 88.808 45.253 1.00 0.00 WT3 H ATOM 43810 OH2 TIP3 6337 84.906 49.726 22.599 1.00 0.00 WT3 O ATOM 43811 H1 TIP3 6337 83.951 49.740 22.659 1.00 0.00 WT3 H ATOM 43812 H2 TIP3 6337 85.164 48.931 23.066 1.00 0.00 WT3 H ATOM 43813 OH2 TIP3 6339 85.075 4.037 56.438 1.00 0.00 WT3 O ATOM 43814 H1 TIP3 6339 85.793 3.886 57.053 1.00 0.00 WT3 H ATOM 43815 H2 TIP3 6339 85.222 4.924 56.111 1.00 0.00 WT3 H ATOM 43816 OH2 TIP3 6340 31.099 53.437 42.152 1.00 0.00 WT3 O ATOM 43817 H1 TIP3 6340 31.809 53.540 41.518 1.00 0.00 WT3 H ATOM 43818 H2 TIP3 6340 31.088 54.263 42.636 1.00 0.00 WT3 H ATOM 43819 OH2 TIP3 6342 69.719 55.356 6.480 1.00 0.00 WT3 O ATOM 43820 H1 TIP3 6342 70.163 56.000 7.031 1.00 0.00 WT3 H ATOM 43821 H2 TIP3 6342 68.981 55.055 7.010 1.00 0.00 WT3 H ATOM 43822 OH2 TIP3 6344 66.107 54.472 31.385 1.00 0.00 WT3 O ATOM 43823 H1 TIP3 6344 65.232 54.537 31.002 1.00 0.00 WT3 H ATOM 43824 H2 TIP3 6344 66.450 55.365 31.355 1.00 0.00 WT3 H ATOM 43825 OH2 TIP3 6345 55.465 75.018 0.253 1.00 0.00 WT3 O ATOM 43826 H1 TIP3 6345 54.623 75.360 -0.048 1.00 0.00 WT3 H ATOM 43827 H2 TIP3 6345 55.247 74.478 1.013 1.00 0.00 WT3 H ATOM 43828 OH2 TIP3 6346 36.036 6.542 21.723 1.00 0.00 WT3 O ATOM 43829 H1 TIP3 6346 35.548 6.726 22.526 1.00 0.00 WT3 H ATOM 43830 H2 TIP3 6346 36.862 7.013 21.831 1.00 0.00 WT3 H ATOM 43831 OH2 TIP3 6347 47.409 53.959 -9.205 1.00 0.00 WT3 O ATOM 43832 H1 TIP3 6347 47.594 54.591 -9.899 1.00 0.00 WT3 H ATOM 43833 H2 TIP3 6347 46.731 54.377 -8.674 1.00 0.00 WT3 H ATOM 43834 OH2 TIP3 6348 58.154 87.895 -0.839 1.00 0.00 WT3 O ATOM 43835 H1 TIP3 6348 57.807 87.028 -0.631 1.00 0.00 WT3 H ATOM 43836 H2 TIP3 6348 58.855 87.729 -1.469 1.00 0.00 WT3 H ATOM 43837 OH2 TIP3 6349 50.557 89.856 36.817 1.00 0.00 WT3 O ATOM 43838 H1 TIP3 6349 50.305 88.968 36.565 1.00 0.00 WT3 H ATOM 43839 H2 TIP3 6349 49.815 90.181 37.327 1.00 0.00 WT3 H ATOM 43840 OH2 TIP3 6351 28.419 11.327 42.992 1.00 0.00 WT3 O ATOM 43841 H1 TIP3 6351 28.813 11.729 43.766 1.00 0.00 WT3 H ATOM 43842 H2 TIP3 6351 29.066 10.684 42.700 1.00 0.00 WT3 H ATOM 43843 OH2 TIP3 6353 21.042 19.048 -16.539 1.00 0.00 WT3 O ATOM 43844 H1 TIP3 6353 20.231 19.331 -16.962 1.00 0.00 WT3 H ATOM 43845 H2 TIP3 6353 21.099 19.583 -15.748 1.00 0.00 WT3 H ATOM 43846 OH2 TIP3 6356 25.783 27.545 29.510 1.00 0.00 WT3 O ATOM 43847 H1 TIP3 6356 25.310 28.349 29.723 1.00 0.00 WT3 H ATOM 43848 H2 TIP3 6356 25.936 27.599 28.566 1.00 0.00 WT3 H ATOM 43849 OH2 TIP3 6357 29.169 49.089 59.348 1.00 0.00 WT3 O ATOM 43850 H1 TIP3 6357 29.959 49.623 59.429 1.00 0.00 WT3 H ATOM 43851 H2 TIP3 6357 28.487 49.600 59.785 1.00 0.00 WT3 H ATOM 43852 OH2 TIP3 6359 43.086 14.699 6.783 1.00 0.00 WT3 O ATOM 43853 H1 TIP3 6359 43.714 15.301 7.183 1.00 0.00 WT3 H ATOM 43854 H2 TIP3 6359 43.340 13.836 7.108 1.00 0.00 WT3 H ATOM 43855 OH2 TIP3 6360 35.924 44.739 50.541 1.00 0.00 WT3 O ATOM 43856 H1 TIP3 6360 36.120 44.327 51.382 1.00 0.00 WT3 H ATOM 43857 H2 TIP3 6360 36.758 44.736 50.072 1.00 0.00 WT3 H ATOM 43858 OH2 TIP3 6361 49.393 59.483 -6.322 1.00 0.00 WT3 O ATOM 43859 H1 TIP3 6361 50.276 59.123 -6.249 1.00 0.00 WT3 H ATOM 43860 H2 TIP3 6361 49.211 59.850 -5.457 1.00 0.00 WT3 H ATOM 43861 OH2 TIP3 6362 57.603 79.173 17.844 1.00 0.00 WT3 O ATOM 43862 H1 TIP3 6362 57.875 80.000 17.446 1.00 0.00 WT3 H ATOM 43863 H2 TIP3 6362 56.745 79.361 18.226 1.00 0.00 WT3 H ATOM 43864 OH2 TIP3 6363 76.021 78.633 35.473 1.00 0.00 WT3 O ATOM 43865 H1 TIP3 6363 75.513 79.444 35.434 1.00 0.00 WT3 H ATOM 43866 H2 TIP3 6363 76.208 78.513 36.404 1.00 0.00 WT3 H ATOM 43867 OH2 TIP3 6364 48.890 11.045 67.276 1.00 0.00 WT3 O ATOM 43868 H1 TIP3 6364 49.559 10.422 66.993 1.00 0.00 WT3 H ATOM 43869 H2 TIP3 6364 48.083 10.734 66.866 1.00 0.00 WT3 H ATOM 43870 OH2 TIP3 6365 21.202 94.744 32.443 1.00 0.00 WT3 O ATOM 43871 H1 TIP3 6365 20.696 95.292 31.844 1.00 0.00 WT3 H ATOM 43872 H2 TIP3 6365 20.566 94.451 33.096 1.00 0.00 WT3 H ATOM 43873 OH2 TIP3 6366 22.287 6.430 -13.498 1.00 0.00 WT3 O ATOM 43874 H1 TIP3 6366 21.818 5.971 -12.801 1.00 0.00 WT3 H ATOM 43875 H2 TIP3 6366 21.973 6.024 -14.306 1.00 0.00 WT3 H ATOM 43876 OH2 TIP3 6369 35.890 77.414 -12.758 1.00 0.00 WT3 O ATOM 43877 H1 TIP3 6369 35.376 78.204 -12.596 1.00 0.00 WT3 H ATOM 43878 H2 TIP3 6369 36.471 77.649 -13.481 1.00 0.00 WT3 H ATOM 43879 OH2 TIP3 6370 60.935 42.800 37.318 1.00 0.00 WT3 O ATOM 43880 H1 TIP3 6370 61.364 43.050 36.500 1.00 0.00 WT3 H ATOM 43881 H2 TIP3 6370 61.102 43.533 37.910 1.00 0.00 WT3 H ATOM 43882 OH2 TIP3 6371 30.781 55.688 3.973 1.00 0.00 WT3 O ATOM 43883 H1 TIP3 6371 30.734 55.179 4.783 1.00 0.00 WT3 H ATOM 43884 H2 TIP3 6371 31.717 55.825 3.831 1.00 0.00 WT3 H ATOM 43885 OH2 TIP3 6372 80.474 26.084 32.309 1.00 0.00 WT3 O ATOM 43886 H1 TIP3 6372 79.650 26.509 32.071 1.00 0.00 WT3 H ATOM 43887 H2 TIP3 6372 81.142 26.754 32.160 1.00 0.00 WT3 H ATOM 43888 OH2 TIP3 6373 55.917 8.585 -2.412 1.00 0.00 WT3 O ATOM 43889 H1 TIP3 6373 56.798 8.532 -2.042 1.00 0.00 WT3 H ATOM 43890 H2 TIP3 6373 56.011 8.249 -3.303 1.00 0.00 WT3 H ATOM 43891 OH2 TIP3 6374 69.037 74.202 48.122 1.00 0.00 WT3 O ATOM 43892 H1 TIP3 6374 68.180 73.785 48.033 1.00 0.00 WT3 H ATOM 43893 H2 TIP3 6374 69.416 74.161 47.243 1.00 0.00 WT3 H ATOM 43894 OH2 TIP3 6375 46.429 79.056 -5.248 1.00 0.00 WT3 O ATOM 43895 H1 TIP3 6375 46.832 78.188 -5.261 1.00 0.00 WT3 H ATOM 43896 H2 TIP3 6375 47.139 79.654 -5.480 1.00 0.00 WT3 H ATOM 43897 OH2 TIP3 6377 87.698 87.210 22.012 1.00 0.00 WT3 O ATOM 43898 H1 TIP3 6377 88.439 87.649 21.593 1.00 0.00 WT3 H ATOM 43899 H2 TIP3 6377 87.022 87.183 21.335 1.00 0.00 WT3 H ATOM 43900 OH2 TIP3 6380 53.531 74.780 39.076 1.00 0.00 WT3 O ATOM 43901 H1 TIP3 6380 53.120 73.945 38.852 1.00 0.00 WT3 H ATOM 43902 H2 TIP3 6380 53.029 75.432 38.588 1.00 0.00 WT3 H ATOM 43903 OH2 TIP3 6381 41.831 74.760 -18.377 1.00 0.00 WT3 O ATOM 43904 H1 TIP3 6381 41.465 74.425 -19.195 1.00 0.00 WT3 H ATOM 43905 H2 TIP3 6381 41.899 73.990 -17.812 1.00 0.00 WT3 H ATOM 43906 OH2 TIP3 6384 32.947 32.553 29.755 1.00 0.00 WT3 O ATOM 43907 H1 TIP3 6384 33.330 33.126 29.090 1.00 0.00 WT3 H ATOM 43908 H2 TIP3 6384 32.307 33.104 30.206 1.00 0.00 WT3 H ATOM 43909 OH2 TIP3 6386 29.890 88.298 33.903 1.00 0.00 WT3 O ATOM 43910 H1 TIP3 6386 29.177 88.573 33.326 1.00 0.00 WT3 H ATOM 43911 H2 TIP3 6386 30.221 89.113 34.280 1.00 0.00 WT3 H ATOM 43912 OH2 TIP3 6388 67.452 30.643 12.196 1.00 0.00 WT3 O ATOM 43913 H1 TIP3 6388 66.987 31.480 12.189 1.00 0.00 WT3 H ATOM 43914 H2 TIP3 6388 66.982 30.102 11.562 1.00 0.00 WT3 H ATOM 43915 OH2 TIP3 6390 44.437 87.687 -8.590 1.00 0.00 WT3 O ATOM 43916 H1 TIP3 6390 44.928 87.127 -7.988 1.00 0.00 WT3 H ATOM 43917 H2 TIP3 6390 43.707 88.018 -8.067 1.00 0.00 WT3 H ATOM 43918 OH2 TIP3 6391 49.233 74.215 29.456 1.00 0.00 WT3 O ATOM 43919 H1 TIP3 6391 49.956 73.596 29.353 1.00 0.00 WT3 H ATOM 43920 H2 TIP3 6391 48.523 73.844 28.932 1.00 0.00 WT3 H ATOM 43921 OH2 TIP3 6393 39.795 90.377 -8.736 1.00 0.00 WT3 O ATOM 43922 H1 TIP3 6393 38.875 90.248 -8.505 1.00 0.00 WT3 H ATOM 43923 H2 TIP3 6393 39.771 90.753 -9.616 1.00 0.00 WT3 H ATOM 43924 OH2 TIP3 6395 33.872 11.934 29.192 1.00 0.00 WT3 O ATOM 43925 H1 TIP3 6395 33.193 12.542 28.902 1.00 0.00 WT3 H ATOM 43926 H2 TIP3 6395 33.727 11.145 28.670 1.00 0.00 WT3 H ATOM 43927 OH2 TIP3 6400 87.289 44.809 53.076 1.00 0.00 WT3 O ATOM 43928 H1 TIP3 6400 87.117 44.750 54.015 1.00 0.00 WT3 H ATOM 43929 H2 TIP3 6400 86.715 45.511 52.770 1.00 0.00 WT3 H ATOM 43930 OH2 TIP3 6401 41.299 93.440 62.852 1.00 0.00 WT3 O ATOM 43931 H1 TIP3 6401 40.416 93.775 62.694 1.00 0.00 WT3 H ATOM 43932 H2 TIP3 6401 41.478 93.656 63.767 1.00 0.00 WT3 H ATOM 43933 OH2 TIP3 6403 40.203 72.722 33.019 1.00 0.00 WT3 O ATOM 43934 H1 TIP3 6403 40.315 72.206 33.817 1.00 0.00 WT3 H ATOM 43935 H2 TIP3 6403 41.073 72.741 32.621 1.00 0.00 WT3 H ATOM 43936 OH2 TIP3 6411 48.927 6.004 41.010 1.00 0.00 WT3 O ATOM 43937 H1 TIP3 6411 48.971 5.116 40.657 1.00 0.00 WT3 H ATOM 43938 H2 TIP3 6411 48.030 6.288 40.837 1.00 0.00 WT3 H ATOM 43939 OH2 TIP3 6417 40.703 88.216 26.543 1.00 0.00 WT3 O ATOM 43940 H1 TIP3 6417 41.365 87.534 26.428 1.00 0.00 WT3 H ATOM 43941 H2 TIP3 6417 41.206 89.023 26.649 1.00 0.00 WT3 H ATOM 43942 OH2 TIP3 6420 80.539 2.264 -19.870 1.00 0.00 WT3 O ATOM 43943 H1 TIP3 6420 79.633 2.414 -19.601 1.00 0.00 WT3 H ATOM 43944 H2 TIP3 6420 81.034 2.254 -19.051 1.00 0.00 WT3 H ATOM 43945 OH2 TIP3 6421 87.181 4.142 1.677 1.00 0.00 WT3 O ATOM 43946 H1 TIP3 6421 87.017 4.316 2.604 1.00 0.00 WT3 H ATOM 43947 H2 TIP3 6421 88.135 4.117 1.603 1.00 0.00 WT3 H ATOM 43948 OH2 TIP3 6424 21.832 42.941 19.464 1.00 0.00 WT3 O ATOM 43949 H1 TIP3 6424 21.549 43.734 19.917 1.00 0.00 WT3 H ATOM 43950 H2 TIP3 6424 21.692 42.238 20.098 1.00 0.00 WT3 H ATOM 43951 OH2 TIP3 6428 23.427 93.731 7.467 1.00 0.00 WT3 O ATOM 43952 H1 TIP3 6428 23.969 93.639 6.683 1.00 0.00 WT3 H ATOM 43953 H2 TIP3 6428 23.570 94.634 7.753 1.00 0.00 WT3 H ATOM 43954 OH2 TIP3 6429 68.384 18.864 -10.201 1.00 0.00 WT3 O ATOM 43955 H1 TIP3 6429 68.822 18.117 -10.609 1.00 0.00 WT3 H ATOM 43956 H2 TIP3 6429 68.601 19.607 -10.763 1.00 0.00 WT3 H ATOM 43957 OH2 TIP3 6441 72.957 21.655 42.954 1.00 0.00 WT3 O ATOM 43958 H1 TIP3 6441 73.611 22.186 42.500 1.00 0.00 WT3 H ATOM 43959 H2 TIP3 6441 73.467 20.990 43.417 1.00 0.00 WT3 H ATOM 43960 OH2 TIP3 6492 64.287 2.336 50.492 1.00 0.00 WT3 O ATOM 43961 H1 TIP3 6492 64.128 1.997 51.372 1.00 0.00 WT3 H ATOM 43962 H2 TIP3 6492 64.407 3.278 50.615 1.00 0.00 WT3 H ATOM 43963 OH2 TIP3 6499 57.376 66.002 13.012 1.00 0.00 WT3 O ATOM 43964 H1 TIP3 6499 58.070 65.937 13.669 1.00 0.00 WT3 H ATOM 43965 H2 TIP3 6499 56.934 65.154 13.046 1.00 0.00 WT3 H ATOM 43966 OH2 TIP3 6536 34.710 75.519 7.488 1.00 0.00 WT3 O ATOM 43967 H1 TIP3 6536 34.136 75.470 8.253 1.00 0.00 WT3 H ATOM 43968 H2 TIP3 6536 35.586 75.641 7.853 1.00 0.00 WT3 H ATOM 43969 OH2 TIP3 6551 70.294 64.334 57.843 1.00 0.00 WT3 O ATOM 43970 H1 TIP3 6551 70.667 64.039 57.012 1.00 0.00 WT3 H ATOM 43971 H2 TIP3 6551 70.005 65.230 57.671 1.00 0.00 WT3 H ATOM 43972 OH2 TIP3 6555 81.865 43.322 66.801 1.00 0.00 WT3 O ATOM 43973 H1 TIP3 6555 81.319 42.583 66.533 1.00 0.00 WT3 H ATOM 43974 H2 TIP3 6555 82.247 43.049 67.635 1.00 0.00 WT3 H ATOM 43975 OH2 TIP3 6569 23.396 55.069 -9.281 1.00 0.00 WT3 O ATOM 43976 H1 TIP3 6569 24.345 55.144 -9.377 1.00 0.00 WT3 H ATOM 43977 H2 TIP3 6569 23.131 55.888 -8.863 1.00 0.00 WT3 H ATOM 43978 OH2 TIP3 6571 32.919 74.121 -15.153 1.00 0.00 WT3 O ATOM 43979 H1 TIP3 6571 33.143 74.022 -16.079 1.00 0.00 WT3 H ATOM 43980 H2 TIP3 6571 32.989 75.061 -14.989 1.00 0.00 WT3 H ATOM 43981 OH2 TIP3 6575 84.333 75.247 31.838 1.00 0.00 WT3 O ATOM 43982 H1 TIP3 6575 83.987 74.886 32.654 1.00 0.00 WT3 H ATOM 43983 H2 TIP3 6575 84.277 76.196 31.953 1.00 0.00 WT3 H ATOM 43984 OH2 TIP3 6579 84.347 53.438 -13.298 1.00 0.00 WT3 O ATOM 43985 H1 TIP3 6579 84.841 53.960 -12.666 1.00 0.00 WT3 H ATOM 43986 H2 TIP3 6579 84.929 53.362 -14.054 1.00 0.00 WT3 H ATOM 43987 OH2 TIP3 6592 66.257 60.017 33.283 1.00 0.00 WT3 O ATOM 43988 H1 TIP3 6592 66.534 60.927 33.386 1.00 0.00 WT3 H ATOM 43989 H2 TIP3 6592 65.301 60.051 33.317 1.00 0.00 WT3 H ATOM 43990 OH2 TIP3 6595 72.769 74.696 14.738 1.00 0.00 WT3 O ATOM 43991 H1 TIP3 6595 72.159 74.354 15.392 1.00 0.00 WT3 H ATOM 43992 H2 TIP3 6595 72.214 75.161 14.112 1.00 0.00 WT3 H ATOM 43993 OH2 TIP3 6597 31.616 53.517 46.996 1.00 0.00 WT3 O ATOM 43994 H1 TIP3 6597 32.570 53.588 47.030 1.00 0.00 WT3 H ATOM 43995 H2 TIP3 6597 31.307 54.421 47.063 1.00 0.00 WT3 H ATOM 43996 OH2 TIP3 6602 42.151 29.964 4.290 1.00 0.00 WT3 O ATOM 43997 H1 TIP3 6602 42.545 29.324 3.697 1.00 0.00 WT3 H ATOM 43998 H2 TIP3 6602 42.758 30.013 5.029 1.00 0.00 WT3 H ATOM 43999 OH2 TIP3 6603 67.366 48.300 12.690 1.00 0.00 WT3 O ATOM 44000 H1 TIP3 6603 66.881 48.076 13.484 1.00 0.00 WT3 H ATOM 44001 H2 TIP3 6603 66.750 48.813 12.168 1.00 0.00 WT3 H ATOM 44002 OH2 TIP3 6606 82.729 76.080 26.146 1.00 0.00 WT3 O ATOM 44003 H1 TIP3 6606 82.146 76.320 26.866 1.00 0.00 WT3 H ATOM 44004 H2 TIP3 6606 82.770 75.125 26.178 1.00 0.00 WT3 H ATOM 44005 OH2 TIP3 6613 66.910 64.840 58.089 1.00 0.00 WT3 O ATOM 44006 H1 TIP3 6613 66.066 64.392 58.024 1.00 0.00 WT3 H ATOM 44007 H2 TIP3 6613 67.229 64.624 58.966 1.00 0.00 WT3 H ATOM 44008 OH2 TIP3 6614 46.790 60.314 -5.581 1.00 0.00 WT3 O ATOM 44009 H1 TIP3 6614 47.009 59.548 -5.050 1.00 0.00 WT3 H ATOM 44010 H2 TIP3 6614 46.828 61.048 -4.969 1.00 0.00 WT3 H ATOM 44011 OH2 TIP3 6615 86.937 39.320 31.722 1.00 0.00 WT3 O ATOM 44012 H1 TIP3 6615 86.084 39.752 31.765 1.00 0.00 WT3 H ATOM 44013 H2 TIP3 6615 87.216 39.429 30.813 1.00 0.00 WT3 H ATOM 44014 OH2 TIP3 6616 82.056 4.206 8.010 1.00 0.00 WT3 O ATOM 44015 H1 TIP3 6616 82.173 4.360 7.073 1.00 0.00 WT3 H ATOM 44016 H2 TIP3 6616 82.945 4.212 8.367 1.00 0.00 WT3 H ATOM 44017 OH2 TIP3 6618 83.833 67.513 -6.093 1.00 0.00 WT3 O ATOM 44018 H1 TIP3 6618 82.994 67.921 -6.310 1.00 0.00 WT3 H ATOM 44019 H2 TIP3 6618 84.488 68.164 -6.345 1.00 0.00 WT3 H ATOM 44020 OH2 TIP3 6620 27.193 45.237 0.241 1.00 0.00 WT3 O ATOM 44021 H1 TIP3 6620 27.104 44.661 1.000 1.00 0.00 WT3 H ATOM 44022 H2 TIP3 6620 27.856 45.876 0.502 1.00 0.00 WT3 H ATOM 44023 OH2 TIP3 6621 45.084 87.611 -11.158 1.00 0.00 WT3 O ATOM 44024 H1 TIP3 6621 44.960 87.937 -10.266 1.00 0.00 WT3 H ATOM 44025 H2 TIP3 6621 44.275 87.842 -11.613 1.00 0.00 WT3 H ATOM 44026 OH2 TIP3 6622 75.871 44.502 12.480 1.00 0.00 WT3 O ATOM 44027 H1 TIP3 6622 75.364 44.089 11.781 1.00 0.00 WT3 H ATOM 44028 H2 TIP3 6622 76.473 43.818 12.775 1.00 0.00 WT3 H ATOM 44029 OH2 TIP3 6623 86.725 75.882 -7.152 1.00 0.00 WT3 O ATOM 44030 H1 TIP3 6623 87.296 76.213 -6.459 1.00 0.00 WT3 H ATOM 44031 H2 TIP3 6623 86.904 76.449 -7.902 1.00 0.00 WT3 H ATOM 44032 OH2 TIP3 6625 77.081 5.083 47.576 1.00 0.00 WT3 O ATOM 44033 H1 TIP3 6625 77.172 6.030 47.678 1.00 0.00 WT3 H ATOM 44034 H2 TIP3 6625 77.546 4.715 48.327 1.00 0.00 WT3 H ATOM 44035 OH2 TIP3 6627 48.193 84.967 7.679 1.00 0.00 WT3 O ATOM 44036 H1 TIP3 6627 48.138 84.721 8.603 1.00 0.00 WT3 H ATOM 44037 H2 TIP3 6627 48.985 85.501 7.620 1.00 0.00 WT3 H ATOM 44038 OH2 TIP3 6628 59.065 75.395 54.748 1.00 0.00 WT3 O ATOM 44039 H1 TIP3 6628 58.674 75.245 53.887 1.00 0.00 WT3 H ATOM 44040 H2 TIP3 6628 59.754 76.040 54.590 1.00 0.00 WT3 H ATOM 44041 OH2 TIP3 6629 33.186 75.490 -1.932 1.00 0.00 WT3 O ATOM 44042 H1 TIP3 6629 32.811 76.138 -2.529 1.00 0.00 WT3 H ATOM 44043 H2 TIP3 6629 32.444 74.941 -1.677 1.00 0.00 WT3 H ATOM 44044 OH2 TIP3 6632 66.696 9.671 17.398 1.00 0.00 WT3 O ATOM 44045 H1 TIP3 6632 66.611 10.325 18.092 1.00 0.00 WT3 H ATOM 44046 H2 TIP3 6632 67.617 9.412 17.424 1.00 0.00 WT3 H ATOM 44047 OH2 TIP3 6634 74.075 62.557 -13.777 1.00 0.00 WT3 O ATOM 44048 H1 TIP3 6634 74.929 62.977 -13.881 1.00 0.00 WT3 H ATOM 44049 H2 TIP3 6634 73.455 63.284 -13.726 1.00 0.00 WT3 H ATOM 44050 OH2 TIP3 6637 84.600 2.397 -9.146 1.00 0.00 WT3 O ATOM 44051 H1 TIP3 6637 83.922 2.979 -8.804 1.00 0.00 WT3 H ATOM 44052 H2 TIP3 6637 84.189 1.961 -9.893 1.00 0.00 WT3 H ATOM 44053 OH2 TIP3 6639 61.757 51.099 36.144 1.00 0.00 WT3 O ATOM 44054 H1 TIP3 6639 60.840 50.947 36.370 1.00 0.00 WT3 H ATOM 44055 H2 TIP3 6639 61.780 51.048 35.188 1.00 0.00 WT3 H ATOM 44056 OH2 TIP3 6640 87.957 94.574 0.094 1.00 0.00 WT3 O ATOM 44057 H1 TIP3 6640 88.026 95.499 0.331 1.00 0.00 WT3 H ATOM 44058 H2 TIP3 6640 87.550 94.162 0.856 1.00 0.00 WT3 H ATOM 44059 OH2 TIP3 6641 46.348 27.719 -0.035 1.00 0.00 WT3 O ATOM 44060 H1 TIP3 6641 45.585 28.169 -0.397 1.00 0.00 WT3 H ATOM 44061 H2 TIP3 6641 46.823 28.398 0.445 1.00 0.00 WT3 H ATOM 44062 OH2 TIP3 6644 56.310 5.121 -2.992 1.00 0.00 WT3 O ATOM 44063 H1 TIP3 6644 56.796 5.630 -3.641 1.00 0.00 WT3 H ATOM 44064 H2 TIP3 6644 56.895 5.077 -2.235 1.00 0.00 WT3 H ATOM 44065 OH2 TIP3 6645 26.265 92.238 -16.954 1.00 0.00 WT3 O ATOM 44066 H1 TIP3 6645 26.730 91.687 -17.584 1.00 0.00 WT3 H ATOM 44067 H2 TIP3 6645 26.761 93.056 -16.939 1.00 0.00 WT3 H ATOM 44068 OH2 TIP3 6648 54.875 68.328 22.649 1.00 0.00 WT3 O ATOM 44069 H1 TIP3 6648 55.607 68.756 22.205 1.00 0.00 WT3 H ATOM 44070 H2 TIP3 6648 54.278 68.080 21.942 1.00 0.00 WT3 H ATOM 44071 OH2 TIP3 6649 82.029 77.930 57.400 1.00 0.00 WT3 O ATOM 44072 H1 TIP3 6649 81.617 78.433 56.698 1.00 0.00 WT3 H ATOM 44073 H2 TIP3 6649 82.477 78.586 57.935 1.00 0.00 WT3 H ATOM 44074 OH2 TIP3 6650 65.076 56.736 33.129 1.00 0.00 WT3 O ATOM 44075 H1 TIP3 6650 65.298 56.113 32.436 1.00 0.00 WT3 H ATOM 44076 H2 TIP3 6650 64.123 56.814 33.085 1.00 0.00 WT3 H ATOM 44077 OH2 TIP3 6651 67.908 63.306 41.347 1.00 0.00 WT3 O ATOM 44078 H1 TIP3 6651 67.285 64.015 41.506 1.00 0.00 WT3 H ATOM 44079 H2 TIP3 6651 67.362 62.550 41.133 1.00 0.00 WT3 H ATOM 44080 OH2 TIP3 6652 54.949 93.688 -11.807 1.00 0.00 WT3 O ATOM 44081 H1 TIP3 6652 54.220 94.204 -11.461 1.00 0.00 WT3 H ATOM 44082 H2 TIP3 6652 55.149 93.060 -11.113 1.00 0.00 WT3 H ATOM 44083 OH2 TIP3 6653 22.179 7.680 -19.889 1.00 0.00 WT3 O ATOM 44084 H1 TIP3 6653 22.707 7.282 -20.581 1.00 0.00 WT3 H ATOM 44085 H2 TIP3 6653 21.708 6.946 -19.494 1.00 0.00 WT3 H ATOM 44086 OH2 TIP3 6655 52.822 6.097 -16.921 1.00 0.00 WT3 O ATOM 44087 H1 TIP3 6655 52.405 6.713 -16.319 1.00 0.00 WT3 H ATOM 44088 H2 TIP3 6655 53.358 5.538 -16.359 1.00 0.00 WT3 H ATOM 44089 OH2 TIP3 6658 37.705 59.180 35.933 1.00 0.00 WT3 O ATOM 44090 H1 TIP3 6658 38.146 59.702 36.603 1.00 0.00 WT3 H ATOM 44091 H2 TIP3 6658 38.336 58.497 35.707 1.00 0.00 WT3 H ATOM 44092 OH2 TIP3 6659 61.737 42.530 50.063 1.00 0.00 WT3 O ATOM 44093 H1 TIP3 6659 62.067 41.640 49.941 1.00 0.00 WT3 H ATOM 44094 H2 TIP3 6659 60.909 42.418 50.528 1.00 0.00 WT3 H ATOM 44095 OH2 TIP3 6660 40.904 8.050 48.612 1.00 0.00 WT3 O ATOM 44096 H1 TIP3 6660 41.191 8.693 49.260 1.00 0.00 WT3 H ATOM 44097 H2 TIP3 6660 40.037 7.778 48.911 1.00 0.00 WT3 H ATOM 44098 OH2 TIP3 6661 55.442 80.440 -15.061 1.00 0.00 WT3 O ATOM 44099 H1 TIP3 6661 54.862 80.131 -15.757 1.00 0.00 WT3 H ATOM 44100 H2 TIP3 6661 55.030 81.244 -14.744 1.00 0.00 WT3 H ATOM 44101 OH2 TIP3 6662 54.909 11.710 52.229 1.00 0.00 WT3 O ATOM 44102 H1 TIP3 6662 54.600 11.825 51.330 1.00 0.00 WT3 H ATOM 44103 H2 TIP3 6662 54.559 12.465 52.702 1.00 0.00 WT3 H ATOM 44104 OH2 TIP3 6664 43.994 70.028 52.030 1.00 0.00 WT3 O ATOM 44105 H1 TIP3 6664 43.480 69.735 51.278 1.00 0.00 WT3 H ATOM 44106 H2 TIP3 6664 44.866 69.662 51.882 1.00 0.00 WT3 H ATOM 44107 OH2 TIP3 6665 90.388 10.558 -7.353 1.00 0.00 WT3 O ATOM 44108 H1 TIP3 6665 91.154 10.014 -7.170 1.00 0.00 WT3 H ATOM 44109 H2 TIP3 6665 90.503 11.329 -6.797 1.00 0.00 WT3 H ATOM 44110 OH2 TIP3 6666 39.454 38.130 23.852 1.00 0.00 WT3 O ATOM 44111 H1 TIP3 6666 39.777 37.264 24.100 1.00 0.00 WT3 H ATOM 44112 H2 TIP3 6666 40.228 38.692 23.880 1.00 0.00 WT3 H ATOM 44113 OH2 TIP3 6668 62.245 10.343 24.963 1.00 0.00 WT3 O ATOM 44114 H1 TIP3 6668 63.078 10.670 24.622 1.00 0.00 WT3 H ATOM 44115 H2 TIP3 6668 61.641 10.408 24.223 1.00 0.00 WT3 H ATOM 44116 OH2 TIP3 6670 30.478 86.167 60.912 1.00 0.00 WT3 O ATOM 44117 H1 TIP3 6670 30.452 86.576 60.047 1.00 0.00 WT3 H ATOM 44118 H2 TIP3 6670 29.857 85.442 60.853 1.00 0.00 WT3 H ATOM 44119 OH2 TIP3 6671 27.954 83.944 7.828 1.00 0.00 WT3 O ATOM 44120 H1 TIP3 6671 27.058 83.610 7.871 1.00 0.00 WT3 H ATOM 44121 H2 TIP3 6671 27.925 84.623 7.155 1.00 0.00 WT3 H ATOM 44122 OH2 TIP3 6673 65.350 8.748 23.137 1.00 0.00 WT3 O ATOM 44123 H1 TIP3 6673 65.050 9.545 23.572 1.00 0.00 WT3 H ATOM 44124 H2 TIP3 6673 64.938 8.037 23.627 1.00 0.00 WT3 H ATOM 44125 OH2 TIP3 6674 42.482 60.690 40.069 1.00 0.00 WT3 O ATOM 44126 H1 TIP3 6674 43.054 61.457 40.083 1.00 0.00 WT3 H ATOM 44127 H2 TIP3 6674 43.082 59.944 40.072 1.00 0.00 WT3 H ATOM 44128 OH2 TIP3 6677 21.463 11.435 54.873 1.00 0.00 WT3 O ATOM 44129 H1 TIP3 6677 21.504 12.284 54.434 1.00 0.00 WT3 H ATOM 44130 H2 TIP3 6677 20.550 11.161 54.782 1.00 0.00 WT3 H ATOM 44131 OH2 TIP3 6679 25.641 39.180 14.199 1.00 0.00 WT3 O ATOM 44132 H1 TIP3 6679 26.442 39.593 14.523 1.00 0.00 WT3 H ATOM 44133 H2 TIP3 6679 25.904 38.754 13.384 1.00 0.00 WT3 H ATOM 44134 OH2 TIP3 6680 31.080 81.203 24.832 1.00 0.00 WT3 O ATOM 44135 H1 TIP3 6680 30.353 80.771 24.384 1.00 0.00 WT3 H ATOM 44136 H2 TIP3 6680 31.830 80.628 24.681 1.00 0.00 WT3 H ATOM 44137 OH2 TIP3 6681 28.556 57.484 18.731 1.00 0.00 WT3 O ATOM 44138 H1 TIP3 6681 29.434 57.181 18.961 1.00 0.00 WT3 H ATOM 44139 H2 TIP3 6681 28.413 58.250 19.287 1.00 0.00 WT3 H ATOM 44140 OH2 TIP3 6682 75.208 48.583 44.178 1.00 0.00 WT3 O ATOM 44141 H1 TIP3 6682 74.423 49.093 43.977 1.00 0.00 WT3 H ATOM 44142 H2 TIP3 6682 75.130 48.381 45.111 1.00 0.00 WT3 H ATOM 44143 OH2 TIP3 6684 82.772 12.588 42.078 1.00 0.00 WT3 O ATOM 44144 H1 TIP3 6684 82.994 12.182 42.916 1.00 0.00 WT3 H ATOM 44145 H2 TIP3 6684 83.610 12.673 41.623 1.00 0.00 WT3 H ATOM 44146 OH2 TIP3 6685 35.965 10.167 52.881 1.00 0.00 WT3 O ATOM 44147 H1 TIP3 6685 36.751 9.629 52.784 1.00 0.00 WT3 H ATOM 44148 H2 TIP3 6685 36.186 10.794 53.569 1.00 0.00 WT3 H ATOM 44149 OH2 TIP3 6686 83.113 60.156 -4.577 1.00 0.00 WT3 O ATOM 44150 H1 TIP3 6686 83.539 60.588 -3.837 1.00 0.00 WT3 H ATOM 44151 H2 TIP3 6686 83.734 59.481 -4.851 1.00 0.00 WT3 H ATOM 44152 OH2 TIP3 6687 44.192 63.581 -0.945 1.00 0.00 WT3 O ATOM 44153 H1 TIP3 6687 44.872 63.058 -0.521 1.00 0.00 WT3 H ATOM 44154 H2 TIP3 6687 43.474 63.600 -0.312 1.00 0.00 WT3 H ATOM 44155 OH2 TIP3 6689 21.013 43.758 36.966 1.00 0.00 WT3 O ATOM 44156 H1 TIP3 6689 21.820 44.162 36.645 1.00 0.00 WT3 H ATOM 44157 H2 TIP3 6689 20.313 44.229 36.515 1.00 0.00 WT3 H ATOM 44158 OH2 TIP3 6690 61.524 66.160 -11.553 1.00 0.00 WT3 O ATOM 44159 H1 TIP3 6690 60.663 66.195 -11.135 1.00 0.00 WT3 H ATOM 44160 H2 TIP3 6690 61.872 67.046 -11.460 1.00 0.00 WT3 H ATOM 44161 OH2 TIP3 6691 67.889 62.887 47.717 1.00 0.00 WT3 O ATOM 44162 H1 TIP3 6691 67.705 62.722 46.792 1.00 0.00 WT3 H ATOM 44163 H2 TIP3 6691 67.981 62.016 48.103 1.00 0.00 WT3 H ATOM 44164 OH2 TIP3 6692 76.473 91.709 1.610 1.00 0.00 WT3 O ATOM 44165 H1 TIP3 6692 77.239 92.279 1.682 1.00 0.00 WT3 H ATOM 44166 H2 TIP3 6692 75.864 92.041 2.270 1.00 0.00 WT3 H ATOM 44167 OH2 TIP3 6694 80.653 44.223 28.776 1.00 0.00 WT3 O ATOM 44168 H1 TIP3 6694 81.200 44.136 29.557 1.00 0.00 WT3 H ATOM 44169 H2 TIP3 6694 81.014 44.980 28.313 1.00 0.00 WT3 H ATOM 44170 OH2 TIP3 6695 83.997 77.954 32.322 1.00 0.00 WT3 O ATOM 44171 H1 TIP3 6695 84.101 78.153 31.391 1.00 0.00 WT3 H ATOM 44172 H2 TIP3 6695 83.452 78.665 32.660 1.00 0.00 WT3 H ATOM 44173 OH2 TIP3 6697 65.983 93.813 -18.627 1.00 0.00 WT3 O ATOM 44174 H1 TIP3 6697 66.203 94.656 -18.231 1.00 0.00 WT3 H ATOM 44175 H2 TIP3 6697 65.046 93.707 -18.463 1.00 0.00 WT3 H ATOM 44176 OH2 TIP3 6698 56.971 18.188 43.104 1.00 0.00 WT3 O ATOM 44177 H1 TIP3 6698 57.502 18.688 42.483 1.00 0.00 WT3 H ATOM 44178 H2 TIP3 6698 56.202 17.921 42.601 1.00 0.00 WT3 H ATOM 44179 OH2 TIP3 6700 89.181 59.527 27.462 1.00 0.00 WT3 O ATOM 44180 H1 TIP3 6700 89.450 60.299 26.965 1.00 0.00 WT3 H ATOM 44181 H2 TIP3 6700 89.493 58.786 26.943 1.00 0.00 WT3 H ATOM 44182 OH2 TIP3 6701 54.167 84.210 -7.974 1.00 0.00 WT3 O ATOM 44183 H1 TIP3 6701 53.514 83.745 -8.496 1.00 0.00 WT3 H ATOM 44184 H2 TIP3 6701 53.822 85.100 -7.895 1.00 0.00 WT3 H ATOM 44185 OH2 TIP3 6702 54.126 13.981 10.990 1.00 0.00 WT3 O ATOM 44186 H1 TIP3 6702 54.678 13.232 10.764 1.00 0.00 WT3 H ATOM 44187 H2 TIP3 6702 53.389 13.928 10.381 1.00 0.00 WT3 H ATOM 44188 OH2 TIP3 6703 68.846 57.172 46.909 1.00 0.00 WT3 O ATOM 44189 H1 TIP3 6703 68.890 56.278 47.250 1.00 0.00 WT3 H ATOM 44190 H2 TIP3 6703 69.335 57.695 47.544 1.00 0.00 WT3 H ATOM 44191 OH2 TIP3 6704 22.901 14.873 -2.011 1.00 0.00 WT3 O ATOM 44192 H1 TIP3 6704 22.628 15.753 -2.270 1.00 0.00 WT3 H ATOM 44193 H2 TIP3 6704 22.109 14.472 -1.653 1.00 0.00 WT3 H ATOM 44194 OH2 TIP3 6705 60.086 83.413 -9.945 1.00 0.00 WT3 O ATOM 44195 H1 TIP3 6705 59.664 82.681 -10.395 1.00 0.00 WT3 H ATOM 44196 H2 TIP3 6705 60.622 83.001 -9.268 1.00 0.00 WT3 H ATOM 44197 OH2 TIP3 6706 22.550 61.320 16.692 1.00 0.00 WT3 O ATOM 44198 H1 TIP3 6706 22.994 62.144 16.893 1.00 0.00 WT3 H ATOM 44199 H2 TIP3 6706 22.120 61.073 17.511 1.00 0.00 WT3 H ATOM 44200 OH2 TIP3 6708 42.502 8.825 -14.619 1.00 0.00 WT3 O ATOM 44201 H1 TIP3 6708 42.072 9.653 -14.409 1.00 0.00 WT3 H ATOM 44202 H2 TIP3 6708 42.682 8.878 -15.558 1.00 0.00 WT3 H ATOM 44203 OH2 TIP3 6709 58.813 32.047 -15.662 1.00 0.00 WT3 O ATOM 44204 H1 TIP3 6709 58.480 32.172 -14.774 1.00 0.00 WT3 H ATOM 44205 H2 TIP3 6709 58.043 32.145 -16.223 1.00 0.00 WT3 H ATOM 44206 OH2 TIP3 6710 22.130 30.552 40.701 1.00 0.00 WT3 O ATOM 44207 H1 TIP3 6710 21.413 30.143 40.216 1.00 0.00 WT3 H ATOM 44208 H2 TIP3 6710 21.760 31.369 41.035 1.00 0.00 WT3 H ATOM 44209 OH2 TIP3 6712 81.617 35.961 32.670 1.00 0.00 WT3 O ATOM 44210 H1 TIP3 6712 81.840 36.858 32.920 1.00 0.00 WT3 H ATOM 44211 H2 TIP3 6712 82.458 35.504 32.640 1.00 0.00 WT3 H ATOM 44212 OH2 TIP3 6714 66.616 76.551 57.507 1.00 0.00 WT3 O ATOM 44213 H1 TIP3 6714 65.945 77.192 57.739 1.00 0.00 WT3 H ATOM 44214 H2 TIP3 6714 67.127 76.438 58.309 1.00 0.00 WT3 H ATOM 44215 OH2 TIP3 6715 52.896 61.413 0.163 1.00 0.00 WT3 O ATOM 44216 H1 TIP3 6715 53.541 60.709 0.090 1.00 0.00 WT3 H ATOM 44217 H2 TIP3 6715 53.077 61.817 1.012 1.00 0.00 WT3 H ATOM 44218 OH2 TIP3 6716 47.695 88.919 30.475 1.00 0.00 WT3 O ATOM 44219 H1 TIP3 6716 46.998 89.355 30.964 1.00 0.00 WT3 H ATOM 44220 H2 TIP3 6716 48.341 88.680 31.139 1.00 0.00 WT3 H ATOM 44221 OH2 TIP3 6717 56.516 87.405 59.553 1.00 0.00 WT3 O ATOM 44222 H1 TIP3 6717 55.628 87.368 59.199 1.00 0.00 WT3 H ATOM 44223 H2 TIP3 6717 56.459 86.949 60.393 1.00 0.00 WT3 H ATOM 44224 OH2 TIP3 6718 68.905 10.887 8.472 1.00 0.00 WT3 O ATOM 44225 H1 TIP3 6718 68.479 10.692 7.638 1.00 0.00 WT3 H ATOM 44226 H2 TIP3 6718 69.822 11.042 8.244 1.00 0.00 WT3 H ATOM 44227 OH2 TIP3 6719 63.515 18.980 55.051 1.00 0.00 WT3 O ATOM 44228 H1 TIP3 6719 62.800 18.975 54.415 1.00 0.00 WT3 H ATOM 44229 H2 TIP3 6719 63.731 18.056 55.176 1.00 0.00 WT3 H ATOM 44230 OH2 TIP3 6720 25.732 30.059 -1.736 1.00 0.00 WT3 O ATOM 44231 H1 TIP3 6720 26.212 30.660 -1.167 1.00 0.00 WT3 H ATOM 44232 H2 TIP3 6720 25.060 29.678 -1.170 1.00 0.00 WT3 H ATOM 44233 OH2 TIP3 6721 34.985 25.997 12.181 1.00 0.00 WT3 O ATOM 44234 H1 TIP3 6721 35.274 26.910 12.184 1.00 0.00 WT3 H ATOM 44235 H2 TIP3 6721 34.096 26.029 11.827 1.00 0.00 WT3 H ATOM 44236 OH2 TIP3 6722 65.298 7.691 -16.516 1.00 0.00 WT3 O ATOM 44237 H1 TIP3 6722 65.506 7.795 -15.588 1.00 0.00 WT3 H ATOM 44238 H2 TIP3 6722 66.107 7.361 -16.908 1.00 0.00 WT3 H ATOM 44239 OH2 TIP3 6723 76.830 54.092 -13.951 1.00 0.00 WT3 O ATOM 44240 H1 TIP3 6723 76.993 53.260 -13.507 1.00 0.00 WT3 H ATOM 44241 H2 TIP3 6723 76.292 54.591 -13.336 1.00 0.00 WT3 H ATOM 44242 OH2 TIP3 6724 40.472 55.772 58.211 1.00 0.00 WT3 O ATOM 44243 H1 TIP3 6724 39.521 55.851 58.142 1.00 0.00 WT3 H ATOM 44244 H2 TIP3 6724 40.786 56.676 58.244 1.00 0.00 WT3 H ATOM 44245 OH2 TIP3 6726 55.445 64.961 47.405 1.00 0.00 WT3 O ATOM 44246 H1 TIP3 6726 55.037 65.091 48.261 1.00 0.00 WT3 H ATOM 44247 H2 TIP3 6726 55.456 64.011 47.287 1.00 0.00 WT3 H ATOM 44248 OH2 TIP3 6727 37.789 74.196 0.903 1.00 0.00 WT3 O ATOM 44249 H1 TIP3 6727 38.005 74.579 1.753 1.00 0.00 WT3 H ATOM 44250 H2 TIP3 6727 37.743 73.254 1.068 1.00 0.00 WT3 H ATOM 44251 OH2 TIP3 6728 47.407 74.027 25.206 1.00 0.00 WT3 O ATOM 44252 H1 TIP3 6728 47.895 74.692 24.719 1.00 0.00 WT3 H ATOM 44253 H2 TIP3 6728 47.816 73.199 24.956 1.00 0.00 WT3 H ATOM 44254 OH2 TIP3 6729 50.122 28.533 21.001 1.00 0.00 WT3 O ATOM 44255 H1 TIP3 6729 50.566 29.327 21.298 1.00 0.00 WT3 H ATOM 44256 H2 TIP3 6729 49.310 28.509 21.507 1.00 0.00 WT3 H ATOM 44257 OH2 TIP3 6730 68.081 93.585 59.488 1.00 0.00 WT3 O ATOM 44258 H1 TIP3 6730 68.230 93.597 60.433 1.00 0.00 WT3 H ATOM 44259 H2 TIP3 6730 68.655 92.891 59.163 1.00 0.00 WT3 H ATOM 44260 OH2 TIP3 6731 39.723 9.797 -16.780 1.00 0.00 WT3 O ATOM 44261 H1 TIP3 6731 39.430 9.691 -17.685 1.00 0.00 WT3 H ATOM 44262 H2 TIP3 6731 40.300 10.560 -16.802 1.00 0.00 WT3 H ATOM 44263 OH2 TIP3 6732 27.554 68.637 47.042 1.00 0.00 WT3 O ATOM 44264 H1 TIP3 6732 27.776 67.758 47.351 1.00 0.00 WT3 H ATOM 44265 H2 TIP3 6732 27.963 68.697 46.178 1.00 0.00 WT3 H ATOM 44266 OH2 TIP3 6733 36.661 13.067 16.481 1.00 0.00 WT3 O ATOM 44267 H1 TIP3 6733 37.565 12.806 16.657 1.00 0.00 WT3 H ATOM 44268 H2 TIP3 6733 36.436 13.654 17.203 1.00 0.00 WT3 H ATOM 44269 OH2 TIP3 6734 28.192 95.790 14.820 1.00 0.00 WT3 O ATOM 44270 H1 TIP3 6734 27.875 95.035 15.316 1.00 0.00 WT3 H ATOM 44271 H2 TIP3 6734 29.133 95.638 14.726 1.00 0.00 WT3 H ATOM 44272 OH2 TIP3 6735 51.219 58.576 58.921 1.00 0.00 WT3 O ATOM 44273 H1 TIP3 6735 50.756 58.819 59.723 1.00 0.00 WT3 H ATOM 44274 H2 TIP3 6735 50.719 58.992 58.219 1.00 0.00 WT3 H ATOM 44275 OH2 TIP3 6736 51.986 88.875 26.024 1.00 0.00 WT3 O ATOM 44276 H1 TIP3 6736 52.783 88.619 25.560 1.00 0.00 WT3 H ATOM 44277 H2 TIP3 6736 51.571 88.046 26.262 1.00 0.00 WT3 H ATOM 44278 OH2 TIP3 6737 61.315 52.820 30.861 1.00 0.00 WT3 O ATOM 44279 H1 TIP3 6737 60.444 53.215 30.896 1.00 0.00 WT3 H ATOM 44280 H2 TIP3 6737 61.311 52.301 30.057 1.00 0.00 WT3 H ATOM 44281 OH2 TIP3 6738 62.424 81.839 24.048 1.00 0.00 WT3 O ATOM 44282 H1 TIP3 6738 62.437 81.035 23.529 1.00 0.00 WT3 H ATOM 44283 H2 TIP3 6738 61.542 82.190 23.925 1.00 0.00 WT3 H ATOM 44284 OH2 TIP3 6739 26.247 22.157 -19.965 1.00 0.00 WT3 O ATOM 44285 H1 TIP3 6739 26.327 21.474 -19.299 1.00 0.00 WT3 H ATOM 44286 H2 TIP3 6739 25.361 22.502 -19.849 1.00 0.00 WT3 H ATOM 44287 OH2 TIP3 6740 25.407 3.869 35.189 1.00 0.00 WT3 O ATOM 44288 H1 TIP3 6740 25.987 3.109 35.161 1.00 0.00 WT3 H ATOM 44289 H2 TIP3 6740 25.759 4.414 35.893 1.00 0.00 WT3 H ATOM 44290 OH2 TIP3 6741 50.288 74.535 33.411 1.00 0.00 WT3 O ATOM 44291 H1 TIP3 6741 50.848 73.776 33.570 1.00 0.00 WT3 H ATOM 44292 H2 TIP3 6741 49.593 74.462 34.064 1.00 0.00 WT3 H ATOM 44293 OH2 TIP3 6742 39.435 95.468 18.303 1.00 0.00 WT3 O ATOM 44294 H1 TIP3 6742 40.154 95.000 18.727 1.00 0.00 WT3 H ATOM 44295 H2 TIP3 6742 38.727 95.454 18.947 1.00 0.00 WT3 H ATOM 44296 OH2 TIP3 6743 82.955 57.670 64.762 1.00 0.00 WT3 O ATOM 44297 H1 TIP3 6743 82.345 57.772 65.492 1.00 0.00 WT3 H ATOM 44298 H2 TIP3 6743 83.000 56.725 64.617 1.00 0.00 WT3 H ATOM 44299 OH2 TIP3 6744 88.782 77.405 14.115 1.00 0.00 WT3 O ATOM 44300 H1 TIP3 6744 89.274 78.087 13.658 1.00 0.00 WT3 H ATOM 44301 H2 TIP3 6744 87.930 77.802 14.294 1.00 0.00 WT3 H ATOM 44302 OH2 TIP3 6745 84.979 26.332 16.102 1.00 0.00 WT3 O ATOM 44303 H1 TIP3 6745 84.479 27.090 16.407 1.00 0.00 WT3 H ATOM 44304 H2 TIP3 6745 84.764 26.261 15.172 1.00 0.00 WT3 H ATOM 44305 OH2 TIP3 6746 61.973 3.931 13.121 1.00 0.00 WT3 O ATOM 44306 H1 TIP3 6746 61.392 4.076 12.374 1.00 0.00 WT3 H ATOM 44307 H2 TIP3 6746 62.506 4.724 13.167 1.00 0.00 WT3 H ATOM 44308 OH2 TIP3 6747 85.755 79.031 42.198 1.00 0.00 WT3 O ATOM 44309 H1 TIP3 6747 85.510 78.871 43.110 1.00 0.00 WT3 H ATOM 44310 H2 TIP3 6747 86.430 78.378 42.013 1.00 0.00 WT3 H ATOM 44311 OH2 TIP3 6749 45.265 25.507 28.835 1.00 0.00 WT3 O ATOM 44312 H1 TIP3 6749 45.807 26.129 29.320 1.00 0.00 WT3 H ATOM 44313 H2 TIP3 6749 44.698 26.056 28.293 1.00 0.00 WT3 H ATOM 44314 OH2 TIP3 6750 59.346 68.750 40.613 1.00 0.00 WT3 O ATOM 44315 H1 TIP3 6750 58.894 69.527 40.284 1.00 0.00 WT3 H ATOM 44316 H2 TIP3 6750 58.820 68.015 40.298 1.00 0.00 WT3 H ATOM 44317 OH2 TIP3 6751 31.056 37.829 20.425 1.00 0.00 WT3 O ATOM 44318 H1 TIP3 6751 30.490 37.103 20.687 1.00 0.00 WT3 H ATOM 44319 H2 TIP3 6751 30.456 38.481 20.063 1.00 0.00 WT3 H ATOM 44320 OH2 TIP3 6752 78.488 58.500 62.564 1.00 0.00 WT3 O ATOM 44321 H1 TIP3 6752 78.279 57.842 61.901 1.00 0.00 WT3 H ATOM 44322 H2 TIP3 6752 77.656 58.669 63.006 1.00 0.00 WT3 H ATOM 44323 OH2 TIP3 6753 29.072 5.099 8.019 1.00 0.00 WT3 O ATOM 44324 H1 TIP3 6753 29.659 4.423 7.681 1.00 0.00 WT3 H ATOM 44325 H2 TIP3 6753 28.340 4.612 8.399 1.00 0.00 WT3 H ATOM 44326 OH2 TIP3 6755 59.700 86.710 37.019 1.00 0.00 WT3 O ATOM 44327 H1 TIP3 6755 60.106 87.559 36.848 1.00 0.00 WT3 H ATOM 44328 H2 TIP3 6755 59.248 86.492 36.204 1.00 0.00 WT3 H ATOM 44329 OH2 TIP3 6757 32.327 91.918 47.356 1.00 0.00 WT3 O ATOM 44330 H1 TIP3 6757 32.774 91.106 47.599 1.00 0.00 WT3 H ATOM 44331 H2 TIP3 6757 31.679 91.649 46.705 1.00 0.00 WT3 H ATOM 44332 OH2 TIP3 6760 90.384 87.557 48.130 1.00 0.00 WT3 O ATOM 44333 H1 TIP3 6760 90.472 86.610 48.023 1.00 0.00 WT3 H ATOM 44334 H2 TIP3 6760 90.179 87.675 49.058 1.00 0.00 WT3 H ATOM 44335 OH2 TIP3 6761 73.886 68.299 29.750 1.00 0.00 WT3 O ATOM 44336 H1 TIP3 6761 73.187 67.946 29.200 1.00 0.00 WT3 H ATOM 44337 H2 TIP3 6761 73.440 68.604 30.540 1.00 0.00 WT3 H ATOM 44338 OH2 TIP3 6762 65.958 81.427 37.860 1.00 0.00 WT3 O ATOM 44339 H1 TIP3 6762 65.700 80.986 38.669 1.00 0.00 WT3 H ATOM 44340 H2 TIP3 6762 65.752 80.799 37.167 1.00 0.00 WT3 H ATOM 44341 OH2 TIP3 6763 79.780 28.308 24.549 1.00 0.00 WT3 O ATOM 44342 H1 TIP3 6763 80.606 28.040 24.951 1.00 0.00 WT3 H ATOM 44343 H2 TIP3 6763 79.604 29.174 24.917 1.00 0.00 WT3 H ATOM 44344 OH2 TIP3 6764 56.185 87.917 -16.626 1.00 0.00 WT3 O ATOM 44345 H1 TIP3 6764 55.267 87.706 -16.795 1.00 0.00 WT3 H ATOM 44346 H2 TIP3 6764 56.607 87.852 -17.483 1.00 0.00 WT3 H ATOM 44347 OH2 TIP3 6765 62.067 86.608 -15.958 1.00 0.00 WT3 O ATOM 44348 H1 TIP3 6765 61.991 86.472 -15.014 1.00 0.00 WT3 H ATOM 44349 H2 TIP3 6765 61.171 86.533 -16.285 1.00 0.00 WT3 H ATOM 44350 OH2 TIP3 6766 67.656 33.625 48.663 1.00 0.00 WT3 O ATOM 44351 H1 TIP3 6766 66.759 33.924 48.806 1.00 0.00 WT3 H ATOM 44352 H2 TIP3 6766 68.154 34.427 48.502 1.00 0.00 WT3 H ATOM 44353 OH2 TIP3 6767 58.282 67.986 61.078 1.00 0.00 WT3 O ATOM 44354 H1 TIP3 6767 58.621 68.823 61.395 1.00 0.00 WT3 H ATOM 44355 H2 TIP3 6767 59.014 67.378 61.174 1.00 0.00 WT3 H ATOM 44356 OH2 TIP3 6769 46.106 39.100 -5.724 1.00 0.00 WT3 O ATOM 44357 H1 TIP3 6769 46.677 39.863 -5.629 1.00 0.00 WT3 H ATOM 44358 H2 TIP3 6769 45.977 38.784 -4.829 1.00 0.00 WT3 H ATOM 44359 OH2 TIP3 6770 81.253 40.743 58.560 1.00 0.00 WT3 O ATOM 44360 H1 TIP3 6770 81.154 41.568 58.083 1.00 0.00 WT3 H ATOM 44361 H2 TIP3 6770 80.525 40.201 58.255 1.00 0.00 WT3 H ATOM 44362 OH2 TIP3 6771 38.047 90.406 9.354 1.00 0.00 WT3 O ATOM 44363 H1 TIP3 6771 38.235 91.159 8.794 1.00 0.00 WT3 H ATOM 44364 H2 TIP3 6771 37.176 90.583 9.708 1.00 0.00 WT3 H ATOM 44365 OH2 TIP3 6772 31.288 91.012 -18.399 1.00 0.00 WT3 O ATOM 44366 H1 TIP3 6772 31.321 91.361 -19.290 1.00 0.00 WT3 H ATOM 44367 H2 TIP3 6772 32.166 90.663 -18.246 1.00 0.00 WT3 H ATOM 44368 OH2 TIP3 6773 73.433 86.335 32.828 1.00 0.00 WT3 O ATOM 44369 H1 TIP3 6773 73.651 86.209 31.905 1.00 0.00 WT3 H ATOM 44370 H2 TIP3 6773 72.488 86.192 32.873 1.00 0.00 WT3 H ATOM 44371 OH2 TIP3 6774 56.991 3.077 42.781 1.00 0.00 WT3 O ATOM 44372 H1 TIP3 6774 57.056 3.118 41.827 1.00 0.00 WT3 H ATOM 44373 H2 TIP3 6774 57.753 3.564 43.094 1.00 0.00 WT3 H ATOM 44374 OH2 TIP3 6775 83.063 90.110 -6.566 1.00 0.00 WT3 O ATOM 44375 H1 TIP3 6775 82.995 90.995 -6.923 1.00 0.00 WT3 H ATOM 44376 H2 TIP3 6775 83.226 89.555 -7.329 1.00 0.00 WT3 H ATOM 44377 OH2 TIP3 6776 22.678 89.760 44.882 1.00 0.00 WT3 O ATOM 44378 H1 TIP3 6776 23.198 89.919 45.669 1.00 0.00 WT3 H ATOM 44379 H2 TIP3 6776 22.412 88.843 44.950 1.00 0.00 WT3 H ATOM 44380 OH2 TIP3 6778 29.786 72.148 52.679 1.00 0.00 WT3 O ATOM 44381 H1 TIP3 6778 30.246 72.690 52.038 1.00 0.00 WT3 H ATOM 44382 H2 TIP3 6778 30.264 71.319 52.680 1.00 0.00 WT3 H ATOM 44383 OH2 TIP3 6779 63.108 18.156 66.871 1.00 0.00 WT3 O ATOM 44384 H1 TIP3 6779 63.835 18.597 66.432 1.00 0.00 WT3 H ATOM 44385 H2 TIP3 6779 62.485 18.856 67.065 1.00 0.00 WT3 H ATOM 44386 OH2 TIP3 6780 50.149 74.363 51.626 1.00 0.00 WT3 O ATOM 44387 H1 TIP3 6780 49.463 73.709 51.757 1.00 0.00 WT3 H ATOM 44388 H2 TIP3 6780 49.708 75.088 51.183 1.00 0.00 WT3 H ATOM 44389 OH2 TIP3 6781 27.941 89.319 31.594 1.00 0.00 WT3 O ATOM 44390 H1 TIP3 6781 27.124 88.856 31.409 1.00 0.00 WT3 H ATOM 44391 H2 TIP3 6781 27.989 89.999 30.922 1.00 0.00 WT3 H ATOM 44392 OH2 TIP3 6782 53.538 56.496 57.327 1.00 0.00 WT3 O ATOM 44393 H1 TIP3 6782 53.748 56.087 56.488 1.00 0.00 WT3 H ATOM 44394 H2 TIP3 6782 52.642 56.215 57.514 1.00 0.00 WT3 H ATOM 44395 OH2 TIP3 6783 22.788 35.654 -3.420 1.00 0.00 WT3 O ATOM 44396 H1 TIP3 6783 23.176 35.070 -2.768 1.00 0.00 WT3 H ATOM 44397 H2 TIP3 6783 22.285 36.286 -2.907 1.00 0.00 WT3 H ATOM 44398 OH2 TIP3 6785 42.918 78.024 12.570 1.00 0.00 WT3 O ATOM 44399 H1 TIP3 6785 43.605 77.506 12.151 1.00 0.00 WT3 H ATOM 44400 H2 TIP3 6785 42.275 77.378 12.862 1.00 0.00 WT3 H ATOM 44401 OH2 TIP3 6786 46.683 95.047 11.734 1.00 0.00 WT3 O ATOM 44402 H1 TIP3 6786 45.930 95.381 12.221 1.00 0.00 WT3 H ATOM 44403 H2 TIP3 6786 46.490 94.119 11.600 1.00 0.00 WT3 H ATOM 44404 OH2 TIP3 6787 53.217 19.502 16.201 1.00 0.00 WT3 O ATOM 44405 H1 TIP3 6787 53.550 20.392 16.088 1.00 0.00 WT3 H ATOM 44406 H2 TIP3 6787 52.282 19.569 16.006 1.00 0.00 WT3 H ATOM 44407 OH2 TIP3 6788 23.530 91.999 21.069 1.00 0.00 WT3 O ATOM 44408 H1 TIP3 6788 24.334 92.312 21.483 1.00 0.00 WT3 H ATOM 44409 H2 TIP3 6788 23.823 91.331 20.450 1.00 0.00 WT3 H ATOM 44410 OH2 TIP3 6789 60.497 78.000 6.916 1.00 0.00 WT3 O ATOM 44411 H1 TIP3 6789 59.746 77.984 7.510 1.00 0.00 WT3 H ATOM 44412 H2 TIP3 6789 61.101 77.351 7.276 1.00 0.00 WT3 H ATOM 44413 OH2 TIP3 6791 71.186 96.230 0.198 1.00 0.00 WT3 O ATOM 44414 H1 TIP3 6791 71.567 95.601 0.811 1.00 0.00 WT3 H ATOM 44415 H2 TIP3 6791 70.423 96.581 0.659 1.00 0.00 WT3 H ATOM 44416 OH2 TIP3 6792 60.425 94.179 -8.896 1.00 0.00 WT3 O ATOM 44417 H1 TIP3 6792 60.874 94.948 -8.543 1.00 0.00 WT3 H ATOM 44418 H2 TIP3 6792 60.785 93.443 -8.402 1.00 0.00 WT3 H ATOM 44419 OH2 TIP3 6794 53.044 81.861 8.212 1.00 0.00 WT3 O ATOM 44420 H1 TIP3 6794 52.604 81.768 9.057 1.00 0.00 WT3 H ATOM 44421 H2 TIP3 6794 53.878 81.405 8.323 1.00 0.00 WT3 H ATOM 44422 OH2 TIP3 6795 72.490 44.794 40.603 1.00 0.00 WT3 O ATOM 44423 H1 TIP3 6795 73.433 44.643 40.664 1.00 0.00 WT3 H ATOM 44424 H2 TIP3 6795 72.296 44.725 39.668 1.00 0.00 WT3 H ATOM 44425 OH2 TIP3 6799 58.736 77.213 44.975 1.00 0.00 WT3 O ATOM 44426 H1 TIP3 6799 58.270 76.436 44.663 1.00 0.00 WT3 H ATOM 44427 H2 TIP3 6799 59.327 76.882 45.651 1.00 0.00 WT3 H ATOM 44428 OH2 TIP3 6800 32.067 44.736 16.415 1.00 0.00 WT3 O ATOM 44429 H1 TIP3 6800 32.992 44.537 16.560 1.00 0.00 WT3 H ATOM 44430 H2 TIP3 6800 32.073 45.553 15.915 1.00 0.00 WT3 H ATOM 44431 OH2 TIP3 6802 23.593 86.125 38.424 1.00 0.00 WT3 O ATOM 44432 H1 TIP3 6802 22.945 85.836 39.067 1.00 0.00 WT3 H ATOM 44433 H2 TIP3 6802 23.225 85.866 37.579 1.00 0.00 WT3 H ATOM 44434 OH2 TIP3 6803 65.015 17.565 23.120 1.00 0.00 WT3 O ATOM 44435 H1 TIP3 6803 65.717 18.037 22.671 1.00 0.00 WT3 H ATOM 44436 H2 TIP3 6803 64.390 18.245 23.370 1.00 0.00 WT3 H ATOM 44437 OH2 TIP3 6804 76.540 67.503 29.092 1.00 0.00 WT3 O ATOM 44438 H1 TIP3 6804 76.610 67.500 28.138 1.00 0.00 WT3 H ATOM 44439 H2 TIP3 6804 75.608 67.637 29.265 1.00 0.00 WT3 H ATOM 44440 OH2 TIP3 6806 65.178 63.657 16.686 1.00 0.00 WT3 O ATOM 44441 H1 TIP3 6806 64.577 64.364 16.451 1.00 0.00 WT3 H ATOM 44442 H2 TIP3 6806 64.676 62.856 16.536 1.00 0.00 WT3 H ATOM 44443 OH2 TIP3 6808 62.715 1.298 10.965 1.00 0.00 WT3 O ATOM 44444 H1 TIP3 6808 63.498 0.945 10.543 1.00 0.00 WT3 H ATOM 44445 H2 TIP3 6808 62.955 2.193 11.207 1.00 0.00 WT3 H ATOM 44446 OH2 TIP3 6813 44.162 30.080 -12.577 1.00 0.00 WT3 O ATOM 44447 H1 TIP3 6813 43.552 30.014 -11.843 1.00 0.00 WT3 H ATOM 44448 H2 TIP3 6813 44.836 29.427 -12.390 1.00 0.00 WT3 H ATOM 44449 OH2 TIP3 6814 74.973 85.998 16.029 1.00 0.00 WT3 O ATOM 44450 H1 TIP3 6814 75.848 85.736 16.316 1.00 0.00 WT3 H ATOM 44451 H2 TIP3 6814 74.792 86.802 16.515 1.00 0.00 WT3 H ATOM 44452 OH2 TIP3 6817 46.887 86.728 14.926 1.00 0.00 WT3 O ATOM 44453 H1 TIP3 6817 46.186 86.354 14.392 1.00 0.00 WT3 H ATOM 44454 H2 TIP3 6817 47.678 86.274 14.636 1.00 0.00 WT3 H ATOM 44455 OH2 TIP3 6818 32.700 40.716 -0.794 1.00 0.00 WT3 O ATOM 44456 H1 TIP3 6818 32.372 41.459 -0.287 1.00 0.00 WT3 H ATOM 44457 H2 TIP3 6818 32.851 40.030 -0.145 1.00 0.00 WT3 H ATOM 44458 OH2 TIP3 6819 31.150 43.953 13.526 1.00 0.00 WT3 O ATOM 44459 H1 TIP3 6819 32.095 43.926 13.674 1.00 0.00 WT3 H ATOM 44460 H2 TIP3 6819 30.911 44.869 13.667 1.00 0.00 WT3 H ATOM 44461 OH2 TIP3 6820 43.434 69.791 -7.215 1.00 0.00 WT3 O ATOM 44462 H1 TIP3 6820 42.999 69.240 -6.564 1.00 0.00 WT3 H ATOM 44463 H2 TIP3 6820 44.130 69.239 -7.571 1.00 0.00 WT3 H ATOM 44464 OH2 TIP3 6823 83.179 85.993 41.830 1.00 0.00 WT3 O ATOM 44465 H1 TIP3 6823 82.660 86.793 41.749 1.00 0.00 WT3 H ATOM 44466 H2 TIP3 6823 83.198 85.628 40.945 1.00 0.00 WT3 H ATOM 44467 OH2 TIP3 6824 55.885 19.734 39.100 1.00 0.00 WT3 O ATOM 44468 H1 TIP3 6824 56.522 20.434 38.961 1.00 0.00 WT3 H ATOM 44469 H2 TIP3 6824 55.856 19.266 38.266 1.00 0.00 WT3 H ATOM 44470 OH2 TIP3 6825 52.427 21.804 5.338 1.00 0.00 WT3 O ATOM 44471 H1 TIP3 6825 51.901 22.554 5.616 1.00 0.00 WT3 H ATOM 44472 H2 TIP3 6825 53.138 21.760 5.977 1.00 0.00 WT3 H ATOM 44473 OH2 TIP3 6826 59.819 13.800 60.408 1.00 0.00 WT3 O ATOM 44474 H1 TIP3 6826 60.072 13.568 59.514 1.00 0.00 WT3 H ATOM 44475 H2 TIP3 6826 59.682 12.959 60.844 1.00 0.00 WT3 H ATOM 44476 OH2 TIP3 6827 71.079 26.725 -1.321 1.00 0.00 WT3 O ATOM 44477 H1 TIP3 6827 71.908 26.725 -1.800 1.00 0.00 WT3 H ATOM 44478 H2 TIP3 6827 71.329 26.577 -0.409 1.00 0.00 WT3 H ATOM 44479 OH2 TIP3 6837 24.570 81.713 40.771 1.00 0.00 WT3 O ATOM 44480 H1 TIP3 6837 23.913 81.020 40.696 1.00 0.00 WT3 H ATOM 44481 H2 TIP3 6837 24.084 82.470 41.098 1.00 0.00 WT3 H ATOM 44482 OH2 TIP3 6838 69.430 79.720 16.399 1.00 0.00 WT3 O ATOM 44483 H1 TIP3 6838 70.168 79.981 16.949 1.00 0.00 WT3 H ATOM 44484 H2 TIP3 6838 69.670 80.010 15.519 1.00 0.00 WT3 H ATOM 44485 OH2 TIP3 6841 71.492 70.160 43.685 1.00 0.00 WT3 O ATOM 44486 H1 TIP3 6841 71.973 69.354 43.500 1.00 0.00 WT3 H ATOM 44487 H2 TIP3 6841 72.162 70.779 43.975 1.00 0.00 WT3 H ATOM 44488 OH2 TIP3 6842 56.512 95.851 -11.350 1.00 0.00 WT3 O ATOM 44489 H1 TIP3 6842 56.296 95.930 -10.421 1.00 0.00 WT3 H ATOM 44490 H2 TIP3 6842 55.929 95.165 -11.675 1.00 0.00 WT3 H ATOM 44491 OH2 TIP3 6843 25.528 1.579 -17.946 1.00 0.00 WT3 O ATOM 44492 H1 TIP3 6843 24.925 0.860 -18.134 1.00 0.00 WT3 H ATOM 44493 H2 TIP3 6843 25.549 1.633 -16.991 1.00 0.00 WT3 H ATOM 44494 OH2 TIP3 6845 40.972 65.232 62.288 1.00 0.00 WT3 O ATOM 44495 H1 TIP3 6845 40.699 65.044 61.390 1.00 0.00 WT3 H ATOM 44496 H2 TIP3 6845 41.904 65.438 62.218 1.00 0.00 WT3 H ATOM 44497 OH2 TIP3 6853 88.587 72.353 65.662 1.00 0.00 WT3 O ATOM 44498 H1 TIP3 6853 87.936 72.114 65.002 1.00 0.00 WT3 H ATOM 44499 H2 TIP3 6853 89.216 72.901 65.192 1.00 0.00 WT3 H ATOM 44500 OH2 TIP3 6855 48.581 85.898 4.580 1.00 0.00 WT3 O ATOM 44501 H1 TIP3 6855 47.747 85.450 4.717 1.00 0.00 WT3 H ATOM 44502 H2 TIP3 6855 49.191 85.202 4.337 1.00 0.00 WT3 H ATOM 44503 OH2 TIP3 6857 64.604 68.013 3.304 1.00 0.00 WT3 O ATOM 44504 H1 TIP3 6857 65.083 68.579 2.699 1.00 0.00 WT3 H ATOM 44505 H2 TIP3 6857 65.280 67.470 3.710 1.00 0.00 WT3 H ATOM 44506 OH2 TIP3 6860 53.652 23.109 -15.429 1.00 0.00 WT3 O ATOM 44507 H1 TIP3 6860 52.941 23.531 -14.947 1.00 0.00 WT3 H ATOM 44508 H2 TIP3 6860 54.417 23.208 -14.862 1.00 0.00 WT3 H ATOM 44509 OH2 TIP3 6863 22.728 23.617 36.475 1.00 0.00 WT3 O ATOM 44510 H1 TIP3 6863 22.574 23.226 35.614 1.00 0.00 WT3 H ATOM 44511 H2 TIP3 6863 23.638 23.912 36.445 1.00 0.00 WT3 H ATOM 44512 OH2 TIP3 6864 64.140 92.419 -15.599 1.00 0.00 WT3 O ATOM 44513 H1 TIP3 6864 63.638 91.614 -15.731 1.00 0.00 WT3 H ATOM 44514 H2 TIP3 6864 65.049 92.162 -15.754 1.00 0.00 WT3 H ATOM 44515 OH2 TIP3 6865 62.051 84.815 33.027 1.00 0.00 WT3 O ATOM 44516 H1 TIP3 6865 61.717 84.009 32.633 1.00 0.00 WT3 H ATOM 44517 H2 TIP3 6865 62.194 84.592 33.947 1.00 0.00 WT3 H ATOM 44518 OH2 TIP3 6872 90.353 17.860 -11.718 1.00 0.00 WT3 O ATOM 44519 H1 TIP3 6872 90.911 18.608 -11.929 1.00 0.00 WT3 H ATOM 44520 H2 TIP3 6872 90.425 17.767 -10.768 1.00 0.00 WT3 H ATOM 44521 OH2 TIP3 6877 60.075 84.585 -2.265 1.00 0.00 WT3 O ATOM 44522 H1 TIP3 6877 59.515 85.074 -2.868 1.00 0.00 WT3 H ATOM 44523 H2 TIP3 6877 59.652 83.731 -2.184 1.00 0.00 WT3 H ATOM 44524 OH2 TIP3 6878 76.357 95.940 7.711 1.00 0.00 WT3 O ATOM 44525 H1 TIP3 6878 76.443 96.658 8.338 1.00 0.00 WT3 H ATOM 44526 H2 TIP3 6878 76.253 96.374 6.863 1.00 0.00 WT3 H ATOM 44527 OH2 TIP3 6881 61.469 15.653 17.569 1.00 0.00 WT3 O ATOM 44528 H1 TIP3 6881 60.952 16.454 17.646 1.00 0.00 WT3 H ATOM 44529 H2 TIP3 6881 62.318 15.877 17.949 1.00 0.00 WT3 H ATOM 44530 OH2 TIP3 6892 58.660 93.980 4.687 1.00 0.00 WT3 O ATOM 44531 H1 TIP3 6892 59.049 93.135 4.459 1.00 0.00 WT3 H ATOM 44532 H2 TIP3 6892 59.381 94.605 4.609 1.00 0.00 WT3 H ATOM 44533 OH2 TIP3 6895 86.605 13.068 45.963 1.00 0.00 WT3 O ATOM 44534 H1 TIP3 6895 86.218 13.567 46.683 1.00 0.00 WT3 H ATOM 44535 H2 TIP3 6895 87.155 12.414 46.393 1.00 0.00 WT3 H ATOM 44536 OH2 TIP3 6896 74.433 96.312 24.133 1.00 0.00 WT3 O ATOM 44537 H1 TIP3 6896 73.828 95.635 23.829 1.00 0.00 WT3 H ATOM 44538 H2 TIP3 6896 75.191 95.828 24.460 1.00 0.00 WT3 H ATOM 44539 OH2 TIP3 6909 54.755 11.114 36.949 1.00 0.00 WT3 O ATOM 44540 H1 TIP3 6909 55.638 11.438 37.122 1.00 0.00 WT3 H ATOM 44541 H2 TIP3 6909 54.738 10.955 36.005 1.00 0.00 WT3 H ATOM 44542 OH2 TIP3 6916 51.473 12.020 -12.629 1.00 0.00 WT3 O ATOM 44543 H1 TIP3 6916 51.187 12.904 -12.400 1.00 0.00 WT3 H ATOM 44544 H2 TIP3 6916 51.157 11.889 -13.523 1.00 0.00 WT3 H ATOM 44545 OH2 TIP3 6921 83.043 81.714 5.932 1.00 0.00 WT3 O ATOM 44546 H1 TIP3 6921 82.515 81.010 6.308 1.00 0.00 WT3 H ATOM 44547 H2 TIP3 6921 83.472 81.314 5.175 1.00 0.00 WT3 H ATOM 44548 OH2 TIP3 6952 42.046 0.047 31.885 1.00 0.00 WT3 O ATOM 44549 H1 TIP3 6952 42.331 -0.112 32.785 1.00 0.00 WT3 H ATOM 44550 H2 TIP3 6952 42.849 0.263 31.413 1.00 0.00 WT3 H ATOM 44551 OH2 TIP3 6953 73.518 68.390 -10.808 1.00 0.00 WT3 O ATOM 44552 H1 TIP3 6953 73.188 67.495 -10.894 1.00 0.00 WT3 H ATOM 44553 H2 TIP3 6953 72.738 68.917 -10.634 1.00 0.00 WT3 H ATOM 44554 OH2 TIP3 6955 49.261 46.912 3.294 1.00 0.00 WT3 O ATOM 44555 H1 TIP3 6955 49.798 47.361 2.642 1.00 0.00 WT3 H ATOM 44556 H2 TIP3 6955 49.140 47.558 3.991 1.00 0.00 WT3 H ATOM 44557 OH2 TIP3 6967 62.865 4.198 27.939 1.00 0.00 WT3 O ATOM 44558 H1 TIP3 6967 63.815 4.300 27.897 1.00 0.00 WT3 H ATOM 44559 H2 TIP3 6967 62.525 5.092 27.906 1.00 0.00 WT3 H ATOM 44560 OH2 TIP3 6976 71.728 85.398 53.905 1.00 0.00 WT3 O ATOM 44561 H1 TIP3 6976 72.035 85.362 52.999 1.00 0.00 WT3 H ATOM 44562 H2 TIP3 6976 71.301 86.251 53.980 1.00 0.00 WT3 H ATOM 44563 OH2 TIP3 6979 43.074 23.155 34.958 1.00 0.00 WT3 O ATOM 44564 H1 TIP3 6979 43.370 22.261 35.130 1.00 0.00 WT3 H ATOM 44565 H2 TIP3 6979 42.133 23.071 34.801 1.00 0.00 WT3 H ATOM 44566 OH2 TIP3 6988 27.035 40.971 7.213 1.00 0.00 WT3 O ATOM 44567 H1 TIP3 6988 26.079 41.010 7.213 1.00 0.00 WT3 H ATOM 44568 H2 TIP3 6988 27.301 41.611 7.873 1.00 0.00 WT3 H ATOM 44569 OH2 TIP3 6994 63.611 56.084 35.748 1.00 0.00 WT3 O ATOM 44570 H1 TIP3 6994 64.073 56.214 34.920 1.00 0.00 WT3 H ATOM 44571 H2 TIP3 6994 63.441 55.142 35.783 1.00 0.00 WT3 H ATOM 44572 OH2 TIP3 7003 59.767 69.525 24.751 1.00 0.00 WT3 O ATOM 44573 H1 TIP3 7003 58.967 69.928 24.415 1.00 0.00 WT3 H ATOM 44574 H2 TIP3 7003 59.488 69.062 25.541 1.00 0.00 WT3 H ATOM 44575 OH2 TIP3 7012 29.820 56.725 52.214 1.00 0.00 WT3 O ATOM 44576 H1 TIP3 7012 29.950 57.602 51.854 1.00 0.00 WT3 H ATOM 44577 H2 TIP3 7012 29.630 56.871 53.141 1.00 0.00 WT3 H ATOM 44578 OH2 TIP3 7016 61.408 44.657 11.656 1.00 0.00 WT3 O ATOM 44579 H1 TIP3 7016 60.765 43.971 11.473 1.00 0.00 WT3 H ATOM 44580 H2 TIP3 7016 61.061 45.114 12.422 1.00 0.00 WT3 H ATOM 44581 OH2 TIP3 7017 35.495 84.310 -5.999 1.00 0.00 WT3 O ATOM 44582 H1 TIP3 7017 36.155 84.062 -5.352 1.00 0.00 WT3 H ATOM 44583 H2 TIP3 7017 34.794 83.668 -5.884 1.00 0.00 WT3 H ATOM 44584 OH2 TIP3 7019 51.976 69.189 50.553 1.00 0.00 WT3 O ATOM 44585 H1 TIP3 7019 51.409 68.713 49.947 1.00 0.00 WT3 H ATOM 44586 H2 TIP3 7019 52.862 68.903 50.330 1.00 0.00 WT3 H ATOM 44587 OH2 TIP3 7020 23.603 71.121 -18.591 1.00 0.00 WT3 O ATOM 44588 H1 TIP3 7020 24.550 71.051 -18.469 1.00 0.00 WT3 H ATOM 44589 H2 TIP3 7020 23.247 71.129 -17.702 1.00 0.00 WT3 H ATOM 44590 OH2 TIP3 7021 58.404 76.698 16.879 1.00 0.00 WT3 O ATOM 44591 H1 TIP3 7021 58.996 76.139 17.381 1.00 0.00 WT3 H ATOM 44592 H2 TIP3 7021 58.319 77.492 17.406 1.00 0.00 WT3 H ATOM 44593 OH2 TIP3 7023 21.601 72.402 18.059 1.00 0.00 WT3 O ATOM 44594 H1 TIP3 7023 21.346 71.734 18.696 1.00 0.00 WT3 H ATOM 44595 H2 TIP3 7023 21.950 73.118 18.590 1.00 0.00 WT3 H ATOM 44596 OH2 TIP3 7027 42.569 25.106 -5.106 1.00 0.00 WT3 O ATOM 44597 H1 TIP3 7027 42.862 25.949 -5.451 1.00 0.00 WT3 H ATOM 44598 H2 TIP3 7027 42.947 24.458 -5.700 1.00 0.00 WT3 H ATOM 44599 OH2 TIP3 7029 56.626 85.707 14.733 1.00 0.00 WT3 O ATOM 44600 H1 TIP3 7029 57.236 85.054 14.390 1.00 0.00 WT3 H ATOM 44601 H2 TIP3 7029 57.171 86.473 14.914 1.00 0.00 WT3 H ATOM 44602 OH2 TIP3 7040 39.972 64.699 -18.999 1.00 0.00 WT3 O ATOM 44603 H1 TIP3 7040 40.894 64.830 -19.222 1.00 0.00 WT3 H ATOM 44604 H2 TIP3 7040 39.937 63.818 -18.627 1.00 0.00 WT3 H ATOM 44605 OH2 TIP3 7041 27.290 71.586 3.480 1.00 0.00 WT3 O ATOM 44606 H1 TIP3 7041 28.103 71.453 3.968 1.00 0.00 WT3 H ATOM 44607 H2 TIP3 7041 27.146 72.532 3.509 1.00 0.00 WT3 H ATOM 44608 OH2 TIP3 7042 48.533 2.664 25.271 1.00 0.00 WT3 O ATOM 44609 H1 TIP3 7042 47.994 2.605 24.482 1.00 0.00 WT3 H ATOM 44610 H2 TIP3 7042 49.434 2.653 24.947 1.00 0.00 WT3 H ATOM 44611 OH2 TIP3 7043 23.904 27.230 38.485 1.00 0.00 WT3 O ATOM 44612 H1 TIP3 7043 23.261 26.763 39.019 1.00 0.00 WT3 H ATOM 44613 H2 TIP3 7043 23.380 27.708 37.842 1.00 0.00 WT3 H ATOM 44614 OH2 TIP3 7048 63.384 85.561 38.759 1.00 0.00 WT3 O ATOM 44615 H1 TIP3 7048 63.969 85.378 39.494 1.00 0.00 WT3 H ATOM 44616 H2 TIP3 7048 62.678 84.922 38.850 1.00 0.00 WT3 H ATOM 44617 OH2 TIP3 7050 70.303 55.281 26.178 1.00 0.00 WT3 O ATOM 44618 H1 TIP3 7050 69.522 55.606 25.730 1.00 0.00 WT3 H ATOM 44619 H2 TIP3 7050 69.963 54.708 26.866 1.00 0.00 WT3 H ATOM 44620 OH2 TIP3 7051 89.673 69.802 50.588 1.00 0.00 WT3 O ATOM 44621 H1 TIP3 7051 88.943 69.887 49.975 1.00 0.00 WT3 H ATOM 44622 H2 TIP3 7051 90.268 70.515 50.353 1.00 0.00 WT3 H ATOM 44623 OH2 TIP3 7052 89.126 21.019 60.314 1.00 0.00 WT3 O ATOM 44624 H1 TIP3 7052 90.082 21.042 60.337 1.00 0.00 WT3 H ATOM 44625 H2 TIP3 7052 88.896 21.416 59.474 1.00 0.00 WT3 H ATOM 44626 OH2 TIP3 7053 57.179 57.362 20.985 1.00 0.00 WT3 O ATOM 44627 H1 TIP3 7053 57.335 56.541 21.452 1.00 0.00 WT3 H ATOM 44628 H2 TIP3 7053 57.540 57.212 20.111 1.00 0.00 WT3 H ATOM 44629 OH2 TIP3 7054 51.116 59.866 4.750 1.00 0.00 WT3 O ATOM 44630 H1 TIP3 7054 51.288 58.935 4.616 1.00 0.00 WT3 H ATOM 44631 H2 TIP3 7054 51.849 60.171 5.285 1.00 0.00 WT3 H ATOM 44632 OH2 TIP3 7056 45.902 73.653 2.750 1.00 0.00 WT3 O ATOM 44633 H1 TIP3 7056 46.582 72.998 2.905 1.00 0.00 WT3 H ATOM 44634 H2 TIP3 7056 45.328 73.588 3.514 1.00 0.00 WT3 H ATOM 44635 OH2 TIP3 7058 83.973 79.964 -1.436 1.00 0.00 WT3 O ATOM 44636 H1 TIP3 7058 83.115 80.120 -1.041 1.00 0.00 WT3 H ATOM 44637 H2 TIP3 7058 84.202 79.075 -1.165 1.00 0.00 WT3 H ATOM 44638 OH2 TIP3 7059 87.803 23.227 3.255 1.00 0.00 WT3 O ATOM 44639 H1 TIP3 7059 87.188 23.529 2.586 1.00 0.00 WT3 H ATOM 44640 H2 TIP3 7059 87.262 22.739 3.875 1.00 0.00 WT3 H ATOM 44641 OH2 TIP3 7060 52.546 88.077 39.617 1.00 0.00 WT3 O ATOM 44642 H1 TIP3 7060 52.331 88.143 38.687 1.00 0.00 WT3 H ATOM 44643 H2 TIP3 7060 53.455 87.775 39.632 1.00 0.00 WT3 H ATOM 44644 OH2 TIP3 7062 31.121 21.115 54.411 1.00 0.00 WT3 O ATOM 44645 H1 TIP3 7062 31.915 20.809 53.972 1.00 0.00 WT3 H ATOM 44646 H2 TIP3 7062 31.277 20.940 55.339 1.00 0.00 WT3 H ATOM 44647 OH2 TIP3 7063 23.958 87.268 59.515 1.00 0.00 WT3 O ATOM 44648 H1 TIP3 7063 24.127 88.082 59.039 1.00 0.00 WT3 H ATOM 44649 H2 TIP3 7063 24.822 86.975 59.802 1.00 0.00 WT3 H ATOM 44650 OH2 TIP3 7065 81.739 21.318 -2.559 1.00 0.00 WT3 O ATOM 44651 H1 TIP3 7065 80.965 21.489 -3.095 1.00 0.00 WT3 H ATOM 44652 H2 TIP3 7065 82.095 20.500 -2.906 1.00 0.00 WT3 H ATOM 44653 OH2 TIP3 7069 63.299 48.906 58.680 1.00 0.00 WT3 O ATOM 44654 H1 TIP3 7069 63.536 49.811 58.883 1.00 0.00 WT3 H ATOM 44655 H2 TIP3 7069 62.401 48.961 58.352 1.00 0.00 WT3 H ATOM 44656 OH2 TIP3 7071 29.019 67.022 27.860 1.00 0.00 WT3 O ATOM 44657 H1 TIP3 7071 28.791 67.792 28.380 1.00 0.00 WT3 H ATOM 44658 H2 TIP3 7071 29.976 67.003 27.865 1.00 0.00 WT3 H ATOM 44659 OH2 TIP3 7073 51.579 0.170 27.153 1.00 0.00 WT3 O ATOM 44660 H1 TIP3 7073 50.884 0.750 27.463 1.00 0.00 WT3 H ATOM 44661 H2 TIP3 7073 51.538 0.235 26.198 1.00 0.00 WT3 H ATOM 44662 OH2 TIP3 7074 66.499 57.557 39.874 1.00 0.00 WT3 O ATOM 44663 H1 TIP3 7074 65.560 57.724 39.785 1.00 0.00 WT3 H ATOM 44664 H2 TIP3 7074 66.632 56.707 39.455 1.00 0.00 WT3 H ATOM 44665 OH2 TIP3 7075 23.219 65.194 63.594 1.00 0.00 WT3 O ATOM 44666 H1 TIP3 7075 23.720 64.447 63.922 1.00 0.00 WT3 H ATOM 44667 H2 TIP3 7075 22.462 64.803 63.158 1.00 0.00 WT3 H ATOM 44668 OH2 TIP3 7076 86.361 16.029 -16.539 1.00 0.00 WT3 O ATOM 44669 H1 TIP3 7076 86.209 16.313 -15.638 1.00 0.00 WT3 H ATOM 44670 H2 TIP3 7076 86.176 15.090 -16.529 1.00 0.00 WT3 H ATOM 44671 OH2 TIP3 7077 62.322 27.300 65.026 1.00 0.00 WT3 O ATOM 44672 H1 TIP3 7077 63.243 27.559 65.059 1.00 0.00 WT3 H ATOM 44673 H2 TIP3 7077 61.940 27.671 65.822 1.00 0.00 WT3 H ATOM 44674 OH2 TIP3 7078 49.990 37.286 52.811 1.00 0.00 WT3 O ATOM 44675 H1 TIP3 7078 49.388 37.179 53.548 1.00 0.00 WT3 H ATOM 44676 H2 TIP3 7078 49.594 36.779 52.102 1.00 0.00 WT3 H ATOM 44677 OH2 TIP3 7079 86.876 33.025 21.850 1.00 0.00 WT3 O ATOM 44678 H1 TIP3 7079 87.646 32.459 21.901 1.00 0.00 WT3 H ATOM 44679 H2 TIP3 7079 86.698 33.270 22.758 1.00 0.00 WT3 H ATOM 44680 OH2 TIP3 7081 80.912 81.204 -18.433 1.00 0.00 WT3 O ATOM 44681 H1 TIP3 7081 80.718 81.794 -17.704 1.00 0.00 WT3 H ATOM 44682 H2 TIP3 7081 81.346 80.455 -18.026 1.00 0.00 WT3 H ATOM 44683 OH2 TIP3 7082 29.741 19.731 42.251 1.00 0.00 WT3 O ATOM 44684 H1 TIP3 7082 30.569 20.206 42.177 1.00 0.00 WT3 H ATOM 44685 H2 TIP3 7082 29.521 19.776 43.181 1.00 0.00 WT3 H ATOM 44686 OH2 TIP3 7086 23.584 0.651 33.382 1.00 0.00 WT3 O ATOM 44687 H1 TIP3 7086 24.502 0.911 33.452 1.00 0.00 WT3 H ATOM 44688 H2 TIP3 7086 23.520 -0.148 33.906 1.00 0.00 WT3 H ATOM 44689 OH2 TIP3 7088 58.497 89.527 29.249 1.00 0.00 WT3 O ATOM 44690 H1 TIP3 7088 57.725 89.146 28.830 1.00 0.00 WT3 H ATOM 44691 H2 TIP3 7088 58.172 89.872 30.082 1.00 0.00 WT3 H ATOM 44692 OH2 TIP3 7089 83.728 56.912 55.515 1.00 0.00 WT3 O ATOM 44693 H1 TIP3 7089 82.807 57.170 55.544 1.00 0.00 WT3 H ATOM 44694 H2 TIP3 7089 83.733 56.004 55.819 1.00 0.00 WT3 H ATOM 44695 OH2 TIP3 7090 46.400 92.435 10.804 1.00 0.00 WT3 O ATOM 44696 H1 TIP3 7090 45.912 91.657 10.535 1.00 0.00 WT3 H ATOM 44697 H2 TIP3 7090 47.276 92.307 10.441 1.00 0.00 WT3 H ATOM 44698 OH2 TIP3 7091 60.189 23.143 -4.429 1.00 0.00 WT3 O ATOM 44699 H1 TIP3 7091 60.288 23.438 -3.524 1.00 0.00 WT3 H ATOM 44700 H2 TIP3 7091 61.018 22.709 -4.632 1.00 0.00 WT3 H ATOM 44701 OH2 TIP3 7092 75.553 53.851 14.142 1.00 0.00 WT3 O ATOM 44702 H1 TIP3 7092 74.737 53.423 14.402 1.00 0.00 WT3 H ATOM 44703 H2 TIP3 7092 76.179 53.610 14.824 1.00 0.00 WT3 H ATOM 44704 OH2 TIP3 7095 75.022 3.888 40.018 1.00 0.00 WT3 O ATOM 44705 H1 TIP3 7095 75.837 3.401 39.899 1.00 0.00 WT3 H ATOM 44706 H2 TIP3 7095 75.000 4.095 40.953 1.00 0.00 WT3 H ATOM 44707 OH2 TIP3 7096 67.624 39.256 -13.148 1.00 0.00 WT3 O ATOM 44708 H1 TIP3 7096 66.975 38.959 -13.785 1.00 0.00 WT3 H ATOM 44709 H2 TIP3 7096 67.985 40.057 -13.528 1.00 0.00 WT3 H ATOM 44710 OH2 TIP3 7097 36.933 36.186 2.567 1.00 0.00 WT3 O ATOM 44711 H1 TIP3 7097 37.440 36.951 2.293 1.00 0.00 WT3 H ATOM 44712 H2 TIP3 7097 36.704 36.364 3.480 1.00 0.00 WT3 H ATOM 44713 OH2 TIP3 7098 82.243 11.015 60.687 1.00 0.00 WT3 O ATOM 44714 H1 TIP3 7098 82.716 11.830 60.519 1.00 0.00 WT3 H ATOM 44715 H2 TIP3 7098 81.581 10.975 59.998 1.00 0.00 WT3 H ATOM 44716 OH2 TIP3 7099 88.034 77.064 30.799 1.00 0.00 WT3 O ATOM 44717 H1 TIP3 7099 87.743 77.930 30.516 1.00 0.00 WT3 H ATOM 44718 H2 TIP3 7099 88.956 77.183 31.029 1.00 0.00 WT3 H ATOM 44719 OH2 TIP3 7101 72.915 63.706 40.831 1.00 0.00 WT3 O ATOM 44720 H1 TIP3 7101 72.461 64.473 40.480 1.00 0.00 WT3 H ATOM 44721 H2 TIP3 7101 72.248 63.020 40.846 1.00 0.00 WT3 H ATOM 44722 OH2 TIP3 7102 25.509 7.534 66.352 1.00 0.00 WT3 O ATOM 44723 H1 TIP3 7102 26.327 7.137 66.653 1.00 0.00 WT3 H ATOM 44724 H2 TIP3 7102 24.924 6.792 66.199 1.00 0.00 WT3 H ATOM 44725 OH2 TIP3 7103 61.334 75.274 -6.257 1.00 0.00 WT3 O ATOM 44726 H1 TIP3 7103 62.087 75.730 -6.632 1.00 0.00 WT3 H ATOM 44727 H2 TIP3 7103 61.673 74.414 -6.010 1.00 0.00 WT3 H ATOM 44728 OH2 TIP3 7104 79.994 2.178 55.122 1.00 0.00 WT3 O ATOM 44729 H1 TIP3 7104 80.579 2.440 55.832 1.00 0.00 WT3 H ATOM 44730 H2 TIP3 7104 80.531 2.241 54.332 1.00 0.00 WT3 H ATOM 44731 OH2 TIP3 7106 36.591 84.399 17.413 1.00 0.00 WT3 O ATOM 44732 H1 TIP3 7106 35.695 84.428 17.078 1.00 0.00 WT3 H ATOM 44733 H2 TIP3 7106 36.583 83.693 18.059 1.00 0.00 WT3 H ATOM 44734 OH2 TIP3 7111 31.068 91.011 -2.230 1.00 0.00 WT3 O ATOM 44735 H1 TIP3 7111 30.392 91.042 -2.907 1.00 0.00 WT3 H ATOM 44736 H2 TIP3 7111 31.796 90.542 -2.639 1.00 0.00 WT3 H ATOM 44737 OH2 TIP3 7113 69.332 79.572 35.665 1.00 0.00 WT3 O ATOM 44738 H1 TIP3 7113 68.805 78.889 35.249 1.00 0.00 WT3 H ATOM 44739 H2 TIP3 7113 69.354 80.282 35.024 1.00 0.00 WT3 H ATOM 44740 OH2 TIP3 7114 66.485 15.342 -15.013 1.00 0.00 WT3 O ATOM 44741 H1 TIP3 7114 67.025 16.009 -14.591 1.00 0.00 WT3 H ATOM 44742 H2 TIP3 7114 65.616 15.458 -14.629 1.00 0.00 WT3 H ATOM 44743 OH2 TIP3 7115 33.298 88.849 18.170 1.00 0.00 WT3 O ATOM 44744 H1 TIP3 7115 32.892 88.531 18.976 1.00 0.00 WT3 H ATOM 44745 H2 TIP3 7115 33.161 89.796 18.190 1.00 0.00 WT3 H ATOM 44746 OH2 TIP3 7117 69.545 77.771 6.730 1.00 0.00 WT3 O ATOM 44747 H1 TIP3 7117 68.829 77.158 6.896 1.00 0.00 WT3 H ATOM 44748 H2 TIP3 7117 70.270 77.444 7.264 1.00 0.00 WT3 H ATOM 44749 OH2 TIP3 7118 66.764 71.945 55.307 1.00 0.00 WT3 O ATOM 44750 H1 TIP3 7118 66.102 71.264 55.187 1.00 0.00 WT3 H ATOM 44751 H2 TIP3 7118 66.280 72.767 55.228 1.00 0.00 WT3 H ATOM 44752 OH2 TIP3 7119 68.021 64.305 -5.455 1.00 0.00 WT3 O ATOM 44753 H1 TIP3 7119 68.180 64.394 -4.515 1.00 0.00 WT3 H ATOM 44754 H2 TIP3 7119 67.642 63.432 -5.554 1.00 0.00 WT3 H ATOM 44755 OH2 TIP3 7120 84.524 22.222 9.629 1.00 0.00 WT3 O ATOM 44756 H1 TIP3 7120 84.331 23.114 9.341 1.00 0.00 WT3 H ATOM 44757 H2 TIP3 7120 85.401 22.044 9.288 1.00 0.00 WT3 H ATOM 44758 OH2 TIP3 7121 30.003 66.076 -19.508 1.00 0.00 WT3 O ATOM 44759 H1 TIP3 7121 30.602 66.807 -19.660 1.00 0.00 WT3 H ATOM 44760 H2 TIP3 7121 29.442 66.371 -18.791 1.00 0.00 WT3 H ATOM 44761 OH2 TIP3 7122 27.188 56.917 5.016 1.00 0.00 WT3 O ATOM 44762 H1 TIP3 7122 27.119 56.291 4.295 1.00 0.00 WT3 H ATOM 44763 H2 TIP3 7122 27.674 56.448 5.694 1.00 0.00 WT3 H ATOM 44764 OH2 TIP3 7123 24.201 82.999 23.571 1.00 0.00 WT3 O ATOM 44765 H1 TIP3 7123 24.786 83.304 22.877 1.00 0.00 WT3 H ATOM 44766 H2 TIP3 7123 23.339 82.955 23.156 1.00 0.00 WT3 H ATOM 44767 OH2 TIP3 7126 47.438 64.498 -9.287 1.00 0.00 WT3 O ATOM 44768 H1 TIP3 7126 47.028 64.706 -8.447 1.00 0.00 WT3 H ATOM 44769 H2 TIP3 7126 46.854 63.853 -9.686 1.00 0.00 WT3 H ATOM 44770 OH2 TIP3 7127 74.630 77.977 42.155 1.00 0.00 WT3 O ATOM 44771 H1 TIP3 7127 74.229 77.804 41.303 1.00 0.00 WT3 H ATOM 44772 H2 TIP3 7127 74.059 78.629 42.560 1.00 0.00 WT3 H ATOM 44773 OH2 TIP3 7128 31.801 32.679 53.027 1.00 0.00 WT3 O ATOM 44774 H1 TIP3 7128 31.572 33.576 53.270 1.00 0.00 WT3 H ATOM 44775 H2 TIP3 7128 31.262 32.494 52.258 1.00 0.00 WT3 H ATOM 44776 OH2 TIP3 7129 60.827 84.798 39.140 1.00 0.00 WT3 O ATOM 44777 H1 TIP3 7129 60.741 85.141 38.250 1.00 0.00 WT3 H ATOM 44778 H2 TIP3 7129 60.253 84.033 39.160 1.00 0.00 WT3 H ATOM 44779 OH2 TIP3 7131 58.445 21.741 49.323 1.00 0.00 WT3 O ATOM 44780 H1 TIP3 7131 58.039 21.138 48.700 1.00 0.00 WT3 H ATOM 44781 H2 TIP3 7131 57.796 22.435 49.443 1.00 0.00 WT3 H ATOM 44782 OH2 TIP3 7133 41.548 73.797 -4.051 1.00 0.00 WT3 O ATOM 44783 H1 TIP3 7133 40.921 73.239 -4.511 1.00 0.00 WT3 H ATOM 44784 H2 TIP3 7133 41.817 73.281 -3.292 1.00 0.00 WT3 H ATOM 44785 OH2 TIP3 7134 26.198 69.855 1.609 1.00 0.00 WT3 O ATOM 44786 H1 TIP3 7134 26.485 70.263 2.427 1.00 0.00 WT3 H ATOM 44787 H2 TIP3 7134 26.616 68.994 1.611 1.00 0.00 WT3 H ATOM 44788 OH2 TIP3 7135 21.042 53.865 34.049 1.00 0.00 WT3 O ATOM 44789 H1 TIP3 7135 21.161 54.533 33.373 1.00 0.00 WT3 H ATOM 44790 H2 TIP3 7135 20.101 53.692 34.052 1.00 0.00 WT3 H ATOM 44791 OH2 TIP3 7136 62.708 81.646 51.205 1.00 0.00 WT3 O ATOM 44792 H1 TIP3 7136 62.645 82.575 50.983 1.00 0.00 WT3 H ATOM 44793 H2 TIP3 7136 62.836 81.207 50.364 1.00 0.00 WT3 H ATOM 44794 OH2 TIP3 7137 44.336 24.200 44.014 1.00 0.00 WT3 O ATOM 44795 H1 TIP3 7137 44.050 24.050 43.113 1.00 0.00 WT3 H ATOM 44796 H2 TIP3 7137 44.461 25.148 44.071 1.00 0.00 WT3 H ATOM 44797 OH2 TIP3 7139 26.822 55.019 9.714 1.00 0.00 WT3 O ATOM 44798 H1 TIP3 7139 25.991 54.870 10.165 1.00 0.00 WT3 H ATOM 44799 H2 TIP3 7139 27.071 55.911 9.959 1.00 0.00 WT3 H ATOM 44800 OH2 TIP3 7140 88.545 61.840 11.022 1.00 0.00 WT3 O ATOM 44801 H1 TIP3 7140 88.529 62.776 10.821 1.00 0.00 WT3 H ATOM 44802 H2 TIP3 7140 89.140 61.766 11.769 1.00 0.00 WT3 H ATOM 44803 OH2 TIP3 7141 60.806 91.964 -6.688 1.00 0.00 WT3 O ATOM 44804 H1 TIP3 7141 60.269 91.374 -6.160 1.00 0.00 WT3 H ATOM 44805 H2 TIP3 7141 61.218 92.549 -6.051 1.00 0.00 WT3 H ATOM 44806 OH2 TIP3 7142 72.480 33.503 24.551 1.00 0.00 WT3 O ATOM 44807 H1 TIP3 7142 72.549 34.445 24.707 1.00 0.00 WT3 H ATOM 44808 H2 TIP3 7142 71.730 33.227 25.079 1.00 0.00 WT3 H ATOM 44809 OH2 TIP3 7143 26.309 46.626 51.230 1.00 0.00 WT3 O ATOM 44810 H1 TIP3 7143 26.869 46.592 50.454 1.00 0.00 WT3 H ATOM 44811 H2 TIP3 7143 25.684 47.328 51.044 1.00 0.00 WT3 H ATOM 44812 OH2 TIP3 7144 44.157 12.855 28.617 1.00 0.00 WT3 O ATOM 44813 H1 TIP3 7144 44.119 11.935 28.354 1.00 0.00 WT3 H ATOM 44814 H2 TIP3 7144 45.089 13.028 28.750 1.00 0.00 WT3 H ATOM 44815 OH2 TIP3 7145 50.559 91.987 -15.303 1.00 0.00 WT3 O ATOM 44816 H1 TIP3 7145 50.457 91.042 -15.194 1.00 0.00 WT3 H ATOM 44817 H2 TIP3 7145 51.323 92.082 -15.871 1.00 0.00 WT3 H ATOM 44818 OH2 TIP3 7146 32.413 31.629 37.897 1.00 0.00 WT3 O ATOM 44819 H1 TIP3 7146 33.191 32.114 38.173 1.00 0.00 WT3 H ATOM 44820 H2 TIP3 7146 31.788 31.753 38.611 1.00 0.00 WT3 H ATOM 44821 OH2 TIP3 7147 72.958 80.715 7.846 1.00 0.00 WT3 O ATOM 44822 H1 TIP3 7147 73.900 80.556 7.911 1.00 0.00 WT3 H ATOM 44823 H2 TIP3 7147 72.565 80.072 8.436 1.00 0.00 WT3 H ATOM 44824 OH2 TIP3 7148 50.653 23.400 18.851 1.00 0.00 WT3 O ATOM 44825 H1 TIP3 7148 50.230 23.363 17.993 1.00 0.00 WT3 H ATOM 44826 H2 TIP3 7148 50.324 24.208 19.245 1.00 0.00 WT3 H ATOM 44827 OH2 TIP3 7150 67.066 17.078 56.199 1.00 0.00 WT3 O ATOM 44828 H1 TIP3 7150 66.731 17.354 55.346 1.00 0.00 WT3 H ATOM 44829 H2 TIP3 7150 66.320 17.170 56.791 1.00 0.00 WT3 H ATOM 44830 OH2 TIP3 7152 33.769 89.461 25.241 1.00 0.00 WT3 O ATOM 44831 H1 TIP3 7152 34.138 89.975 24.523 1.00 0.00 WT3 H ATOM 44832 H2 TIP3 7152 34.339 88.695 25.306 1.00 0.00 WT3 H ATOM 44833 OH2 TIP3 7153 32.678 54.394 18.588 1.00 0.00 WT3 O ATOM 44834 H1 TIP3 7153 33.402 54.703 19.133 1.00 0.00 WT3 H ATOM 44835 H2 TIP3 7153 32.828 54.804 17.736 1.00 0.00 WT3 H ATOM 44836 OH2 TIP3 7154 61.337 79.344 19.291 1.00 0.00 WT3 O ATOM 44837 H1 TIP3 7154 60.984 79.060 20.134 1.00 0.00 WT3 H ATOM 44838 H2 TIP3 7154 61.873 78.609 18.995 1.00 0.00 WT3 H ATOM 44839 OH2 TIP3 7155 78.314 53.712 59.807 1.00 0.00 WT3 O ATOM 44840 H1 TIP3 7155 79.135 53.237 59.680 1.00 0.00 WT3 H ATOM 44841 H2 TIP3 7155 78.360 54.034 60.707 1.00 0.00 WT3 H ATOM 44842 OH2 TIP3 7156 89.527 91.827 17.532 1.00 0.00 WT3 O ATOM 44843 H1 TIP3 7156 90.265 91.846 18.141 1.00 0.00 WT3 H ATOM 44844 H2 TIP3 7156 89.192 92.724 17.533 1.00 0.00 WT3 H ATOM 44845 OH2 TIP3 7157 32.723 68.962 21.183 1.00 0.00 WT3 O ATOM 44846 H1 TIP3 7157 33.424 68.905 20.533 1.00 0.00 WT3 H ATOM 44847 H2 TIP3 7157 33.040 68.445 21.923 1.00 0.00 WT3 H ATOM 44848 OH2 TIP3 7158 67.348 61.001 50.594 1.00 0.00 WT3 O ATOM 44849 H1 TIP3 7158 67.527 60.310 49.956 1.00 0.00 WT3 H ATOM 44850 H2 TIP3 7158 66.624 61.498 50.213 1.00 0.00 WT3 H ATOM 44851 OH2 TIP3 7159 45.369 1.730 18.051 1.00 0.00 WT3 O ATOM 44852 H1 TIP3 7159 45.441 0.867 17.643 1.00 0.00 WT3 H ATOM 44853 H2 TIP3 7159 44.778 1.596 18.792 1.00 0.00 WT3 H ATOM 44854 OH2 TIP3 7160 41.363 36.612 -13.259 1.00 0.00 WT3 O ATOM 44855 H1 TIP3 7160 42.101 37.074 -13.658 1.00 0.00 WT3 H ATOM 44856 H2 TIP3 7160 41.089 37.176 -12.536 1.00 0.00 WT3 H ATOM 44857 OH2 TIP3 7161 74.419 94.772 -3.630 1.00 0.00 WT3 O ATOM 44858 H1 TIP3 7161 73.604 95.057 -3.218 1.00 0.00 WT3 H ATOM 44859 H2 TIP3 7161 74.582 95.421 -4.314 1.00 0.00 WT3 H ATOM 44860 OH2 TIP3 7162 75.416 67.034 64.481 1.00 0.00 WT3 O ATOM 44861 H1 TIP3 7162 74.517 67.364 64.455 1.00 0.00 WT3 H ATOM 44862 H2 TIP3 7162 75.383 66.298 65.092 1.00 0.00 WT3 H ATOM 44863 OH2 TIP3 7163 76.230 57.821 28.447 1.00 0.00 WT3 O ATOM 44864 H1 TIP3 7163 76.849 58.549 28.398 1.00 0.00 WT3 H ATOM 44865 H2 TIP3 7163 75.778 57.833 27.604 1.00 0.00 WT3 H ATOM 44866 OH2 TIP3 7164 36.460 92.895 21.503 1.00 0.00 WT3 O ATOM 44867 H1 TIP3 7164 36.953 92.486 22.214 1.00 0.00 WT3 H ATOM 44868 H2 TIP3 7164 35.768 92.267 21.298 1.00 0.00 WT3 H ATOM 44869 OH2 TIP3 7165 73.664 20.986 55.888 1.00 0.00 WT3 O ATOM 44870 H1 TIP3 7165 73.427 21.706 56.472 1.00 0.00 WT3 H ATOM 44871 H2 TIP3 7165 74.609 21.075 55.768 1.00 0.00 WT3 H ATOM 44872 OH2 TIP3 7166 51.045 33.153 59.740 1.00 0.00 WT3 O ATOM 44873 H1 TIP3 7166 50.999 33.792 59.029 1.00 0.00 WT3 H ATOM 44874 H2 TIP3 7166 50.546 33.550 60.453 1.00 0.00 WT3 H ATOM 44875 OH2 TIP3 7167 89.457 76.723 46.907 1.00 0.00 WT3 O ATOM 44876 H1 TIP3 7167 89.809 75.944 47.338 1.00 0.00 WT3 H ATOM 44877 H2 TIP3 7167 89.240 77.317 47.626 1.00 0.00 WT3 H ATOM 44878 OH2 TIP3 7168 76.929 47.469 -16.527 1.00 0.00 WT3 O ATOM 44879 H1 TIP3 7168 76.519 46.685 -16.162 1.00 0.00 WT3 H ATOM 44880 H2 TIP3 7168 77.623 47.135 -17.095 1.00 0.00 WT3 H ATOM 44881 OH2 TIP3 7169 65.183 11.986 -4.634 1.00 0.00 WT3 O ATOM 44882 H1 TIP3 7169 65.969 12.443 -4.335 1.00 0.00 WT3 H ATOM 44883 H2 TIP3 7169 64.900 12.475 -5.407 1.00 0.00 WT3 H ATOM 44884 OH2 TIP3 7170 86.139 15.319 -11.002 1.00 0.00 WT3 O ATOM 44885 H1 TIP3 7170 86.078 15.169 -10.058 1.00 0.00 WT3 H ATOM 44886 H2 TIP3 7170 85.446 14.774 -11.376 1.00 0.00 WT3 H ATOM 44887 OH2 TIP3 7172 34.854 76.813 4.967 1.00 0.00 WT3 O ATOM 44888 H1 TIP3 7172 35.183 77.612 5.379 1.00 0.00 WT3 H ATOM 44889 H2 TIP3 7172 34.651 76.232 5.700 1.00 0.00 WT3 H ATOM 44890 OH2 TIP3 7173 78.214 70.933 6.140 1.00 0.00 WT3 O ATOM 44891 H1 TIP3 7173 77.486 70.844 5.526 1.00 0.00 WT3 H ATOM 44892 H2 TIP3 7173 78.801 70.209 5.923 1.00 0.00 WT3 H ATOM 44893 OH2 TIP3 7175 47.341 15.423 63.023 1.00 0.00 WT3 O ATOM 44894 H1 TIP3 7175 46.930 15.124 63.834 1.00 0.00 WT3 H ATOM 44895 H2 TIP3 7175 46.608 15.623 62.442 1.00 0.00 WT3 H ATOM 44896 OH2 TIP3 7177 73.247 48.898 41.555 1.00 0.00 WT3 O ATOM 44897 H1 TIP3 7177 73.003 49.191 40.677 1.00 0.00 WT3 H ATOM 44898 H2 TIP3 7177 72.416 48.665 41.970 1.00 0.00 WT3 H ATOM 44899 OH2 TIP3 7178 20.377 14.967 9.993 1.00 0.00 WT3 O ATOM 44900 H1 TIP3 7178 19.826 14.205 9.814 1.00 0.00 WT3 H ATOM 44901 H2 TIP3 7178 20.872 15.100 9.185 1.00 0.00 WT3 H ATOM 44902 OH2 TIP3 7180 40.944 82.806 45.972 1.00 0.00 WT3 O ATOM 44903 H1 TIP3 7180 40.460 82.387 46.684 1.00 0.00 WT3 H ATOM 44904 H2 TIP3 7180 40.954 83.735 46.203 1.00 0.00 WT3 H ATOM 44905 OH2 TIP3 7181 67.507 41.300 63.896 1.00 0.00 WT3 O ATOM 44906 H1 TIP3 7181 67.134 41.790 64.629 1.00 0.00 WT3 H ATOM 44907 H2 TIP3 7181 68.027 41.945 63.416 1.00 0.00 WT3 H ATOM 44908 OH2 TIP3 7182 57.990 75.780 -3.157 1.00 0.00 WT3 O ATOM 44909 H1 TIP3 7182 58.237 75.839 -4.080 1.00 0.00 WT3 H ATOM 44910 H2 TIP3 7182 57.188 75.256 -3.157 1.00 0.00 WT3 H ATOM 44911 OH2 TIP3 7183 82.923 54.964 -20.108 1.00 0.00 WT3 O ATOM 44912 H1 TIP3 7183 83.733 54.765 -20.577 1.00 0.00 WT3 H ATOM 44913 H2 TIP3 7183 83.164 54.918 -19.183 1.00 0.00 WT3 H ATOM 44914 OH2 TIP3 7184 48.279 75.792 16.903 1.00 0.00 WT3 O ATOM 44915 H1 TIP3 7184 49.007 75.172 16.952 1.00 0.00 WT3 H ATOM 44916 H2 TIP3 7184 48.090 76.012 17.815 1.00 0.00 WT3 H ATOM 44917 OH2 TIP3 7186 71.799 91.843 54.294 1.00 0.00 WT3 O ATOM 44918 H1 TIP3 7186 71.872 91.046 53.768 1.00 0.00 WT3 H ATOM 44919 H2 TIP3 7186 72.286 92.502 53.800 1.00 0.00 WT3 H ATOM 44920 OH2 TIP3 7187 42.428 27.842 12.316 1.00 0.00 WT3 O ATOM 44921 H1 TIP3 7187 41.753 27.310 12.738 1.00 0.00 WT3 H ATOM 44922 H2 TIP3 7187 43.188 27.766 12.892 1.00 0.00 WT3 H ATOM 44923 OH2 TIP3 7189 23.777 90.386 -6.738 1.00 0.00 WT3 O ATOM 44924 H1 TIP3 7189 24.673 90.113 -6.542 1.00 0.00 WT3 H ATOM 44925 H2 TIP3 7189 23.874 91.056 -7.415 1.00 0.00 WT3 H ATOM 44926 OH2 TIP3 7190 30.089 20.837 -17.338 1.00 0.00 WT3 O ATOM 44927 H1 TIP3 7190 29.482 20.341 -16.788 1.00 0.00 WT3 H ATOM 44928 H2 TIP3 7190 29.892 21.754 -17.147 1.00 0.00 WT3 H ATOM 44929 OH2 TIP3 7191 24.415 6.368 2.993 1.00 0.00 WT3 O ATOM 44930 H1 TIP3 7191 23.771 6.685 2.360 1.00 0.00 WT3 H ATOM 44931 H2 TIP3 7191 25.246 6.740 2.698 1.00 0.00 WT3 H ATOM 44932 OH2 TIP3 7192 61.850 7.487 18.376 1.00 0.00 WT3 O ATOM 44933 H1 TIP3 7192 61.451 7.681 19.224 1.00 0.00 WT3 H ATOM 44934 H2 TIP3 7192 62.587 6.912 18.584 1.00 0.00 WT3 H ATOM 44935 OH2 TIP3 7193 24.988 45.353 12.702 1.00 0.00 WT3 O ATOM 44936 H1 TIP3 7193 24.060 45.422 12.475 1.00 0.00 WT3 H ATOM 44937 H2 TIP3 7193 25.068 44.496 13.122 1.00 0.00 WT3 H ATOM 44938 OH2 TIP3 7194 32.357 27.330 11.924 1.00 0.00 WT3 O ATOM 44939 H1 TIP3 7194 32.244 28.277 12.006 1.00 0.00 WT3 H ATOM 44940 H2 TIP3 7194 31.691 27.063 11.291 1.00 0.00 WT3 H ATOM 44941 OH2 TIP3 7195 30.566 74.183 9.692 1.00 0.00 WT3 O ATOM 44942 H1 TIP3 7195 31.233 74.760 10.063 1.00 0.00 WT3 H ATOM 44943 H2 TIP3 7195 30.049 73.897 10.446 1.00 0.00 WT3 H ATOM 44944 OH2 TIP3 7196 44.869 37.483 50.308 1.00 0.00 WT3 O ATOM 44945 H1 TIP3 7196 45.345 38.209 49.905 1.00 0.00 WT3 H ATOM 44946 H2 TIP3 7196 43.964 37.599 50.018 1.00 0.00 WT3 H ATOM 44947 OH2 TIP3 7197 51.963 80.191 36.873 1.00 0.00 WT3 O ATOM 44948 H1 TIP3 7197 52.085 79.690 36.067 1.00 0.00 WT3 H ATOM 44949 H2 TIP3 7197 51.041 80.447 36.860 1.00 0.00 WT3 H ATOM 44950 OH2 TIP3 7198 45.950 26.495 -14.352 1.00 0.00 WT3 O ATOM 44951 H1 TIP3 7198 46.031 27.117 -13.629 1.00 0.00 WT3 H ATOM 44952 H2 TIP3 7198 45.727 25.665 -13.932 1.00 0.00 WT3 H ATOM 44953 OH2 TIP3 7199 66.792 91.511 44.416 1.00 0.00 WT3 O ATOM 44954 H1 TIP3 7199 66.903 92.389 44.780 1.00 0.00 WT3 H ATOM 44955 H2 TIP3 7199 67.441 91.460 43.714 1.00 0.00 WT3 H ATOM 44956 OH2 TIP3 7200 27.685 20.745 0.439 1.00 0.00 WT3 O ATOM 44957 H1 TIP3 7200 27.815 20.660 1.383 1.00 0.00 WT3 H ATOM 44958 H2 TIP3 7200 28.368 21.354 0.157 1.00 0.00 WT3 H ATOM 44959 OH2 TIP3 7201 48.088 72.888 41.598 1.00 0.00 WT3 O ATOM 44960 H1 TIP3 7201 47.220 72.642 41.279 1.00 0.00 WT3 H ATOM 44961 H2 TIP3 7201 48.335 73.644 41.066 1.00 0.00 WT3 H ATOM 44962 OH2 TIP3 7202 50.858 33.718 5.587 1.00 0.00 WT3 O ATOM 44963 H1 TIP3 7202 50.224 33.183 6.065 1.00 0.00 WT3 H ATOM 44964 H2 TIP3 7202 51.586 33.829 6.199 1.00 0.00 WT3 H ATOM 44965 OH2 TIP3 7203 89.822 70.430 67.416 1.00 0.00 WT3 O ATOM 44966 H1 TIP3 7203 90.622 69.911 67.326 1.00 0.00 WT3 H ATOM 44967 H2 TIP3 7203 89.567 70.636 66.517 1.00 0.00 WT3 H ATOM 44968 OH2 TIP3 7204 87.671 65.164 3.356 1.00 0.00 WT3 O ATOM 44969 H1 TIP3 7204 87.748 66.099 3.544 1.00 0.00 WT3 H ATOM 44970 H2 TIP3 7204 88.143 64.736 4.071 1.00 0.00 WT3 H ATOM 44971 OH2 TIP3 7205 87.759 89.462 41.476 1.00 0.00 WT3 O ATOM 44972 H1 TIP3 7205 87.844 88.516 41.590 1.00 0.00 WT3 H ATOM 44973 H2 TIP3 7205 87.939 89.609 40.547 1.00 0.00 WT3 H ATOM 44974 OH2 TIP3 7206 30.956 59.053 59.032 1.00 0.00 WT3 O ATOM 44975 H1 TIP3 7206 31.316 59.856 59.408 1.00 0.00 WT3 H ATOM 44976 H2 TIP3 7206 31.721 58.504 58.860 1.00 0.00 WT3 H ATOM 44977 OH2 TIP3 7208 59.870 76.963 -8.704 1.00 0.00 WT3 O ATOM 44978 H1 TIP3 7208 60.093 76.033 -8.681 1.00 0.00 WT3 H ATOM 44979 H2 TIP3 7208 60.352 77.344 -7.970 1.00 0.00 WT3 H ATOM 44980 OH2 TIP3 7209 44.676 15.014 51.957 1.00 0.00 WT3 O ATOM 44981 H1 TIP3 7209 44.303 15.057 51.076 1.00 0.00 WT3 H ATOM 44982 H2 TIP3 7209 43.944 15.217 52.538 1.00 0.00 WT3 H ATOM 44983 OH2 TIP3 7210 50.736 88.009 30.136 1.00 0.00 WT3 O ATOM 44984 H1 TIP3 7210 51.451 88.495 29.724 1.00 0.00 WT3 H ATOM 44985 H2 TIP3 7210 50.124 87.833 29.422 1.00 0.00 WT3 H ATOM 44986 OH2 TIP3 7211 41.368 58.097 62.218 1.00 0.00 WT3 O ATOM 44987 H1 TIP3 7211 41.144 57.308 61.723 1.00 0.00 WT3 H ATOM 44988 H2 TIP3 7211 42.323 58.142 62.180 1.00 0.00 WT3 H ATOM 44989 OH2 TIP3 7213 29.020 66.230 4.521 1.00 0.00 WT3 O ATOM 44990 H1 TIP3 7213 28.907 66.552 5.415 1.00 0.00 WT3 H ATOM 44991 H2 TIP3 7213 29.955 66.034 4.453 1.00 0.00 WT3 H ATOM 44992 OH2 TIP3 7215 75.535 93.503 19.811 1.00 0.00 WT3 O ATOM 44993 H1 TIP3 7215 75.326 92.606 19.553 1.00 0.00 WT3 H ATOM 44994 H2 TIP3 7215 74.709 93.856 20.143 1.00 0.00 WT3 H ATOM 44995 OH2 TIP3 7216 62.104 84.875 23.182 1.00 0.00 WT3 O ATOM 44996 H1 TIP3 7216 61.409 84.260 23.418 1.00 0.00 WT3 H ATOM 44997 H2 TIP3 7216 62.829 84.654 23.767 1.00 0.00 WT3 H ATOM 44998 OH2 TIP3 7217 55.747 74.079 -3.921 1.00 0.00 WT3 O ATOM 44999 H1 TIP3 7217 55.859 73.338 -4.516 1.00 0.00 WT3 H ATOM 45000 H2 TIP3 7217 55.918 73.717 -3.051 1.00 0.00 WT3 H ATOM 45001 OH2 TIP3 7219 33.315 71.631 5.776 1.00 0.00 WT3 O ATOM 45002 H1 TIP3 7219 34.093 71.714 6.327 1.00 0.00 WT3 H ATOM 45003 H2 TIP3 7219 32.703 72.280 6.124 1.00 0.00 WT3 H ATOM 45004 OH2 TIP3 7222 81.826 2.806 -2.290 1.00 0.00 WT3 O ATOM 45005 H1 TIP3 7222 82.557 3.423 -2.342 1.00 0.00 WT3 H ATOM 45006 H2 TIP3 7222 81.090 3.331 -1.977 1.00 0.00 WT3 H ATOM 45007 OH2 TIP3 7223 77.458 47.660 8.480 1.00 0.00 WT3 O ATOM 45008 H1 TIP3 7223 77.722 47.296 9.325 1.00 0.00 WT3 H ATOM 45009 H2 TIP3 7223 77.405 48.604 8.631 1.00 0.00 WT3 H ATOM 45010 OH2 TIP3 7224 47.935 5.948 29.599 1.00 0.00 WT3 O ATOM 45011 H1 TIP3 7224 47.618 6.552 28.927 1.00 0.00 WT3 H ATOM 45012 H2 TIP3 7224 47.457 5.135 29.435 1.00 0.00 WT3 H ATOM 45013 OH2 TIP3 7227 84.634 61.592 24.216 1.00 0.00 WT3 O ATOM 45014 H1 TIP3 7227 85.039 61.390 25.059 1.00 0.00 WT3 H ATOM 45015 H2 TIP3 7227 83.730 61.289 24.306 1.00 0.00 WT3 H ATOM 45016 OH2 TIP3 7228 76.064 43.427 -2.729 1.00 0.00 WT3 O ATOM 45017 H1 TIP3 7228 75.739 42.710 -2.185 1.00 0.00 WT3 H ATOM 45018 H2 TIP3 7228 75.566 44.192 -2.441 1.00 0.00 WT3 H ATOM 45019 OH2 TIP3 7229 40.710 84.148 -6.796 1.00 0.00 WT3 O ATOM 45020 H1 TIP3 7229 40.790 83.266 -6.433 1.00 0.00 WT3 H ATOM 45021 H2 TIP3 7229 39.867 84.145 -7.250 1.00 0.00 WT3 H ATOM 45022 OH2 TIP3 7230 40.669 17.836 50.374 1.00 0.00 WT3 O ATOM 45023 H1 TIP3 7230 41.465 18.146 49.942 1.00 0.00 WT3 H ATOM 45024 H2 TIP3 7230 40.135 17.478 49.665 1.00 0.00 WT3 H ATOM 45025 OH2 TIP3 7231 71.080 96.763 25.285 1.00 0.00 WT3 O ATOM 45026 H1 TIP3 7231 70.203 96.378 25.270 1.00 0.00 WT3 H ATOM 45027 H2 TIP3 7231 71.614 96.162 24.766 1.00 0.00 WT3 H ATOM 45028 OH2 TIP3 7232 42.939 63.218 1.356 1.00 0.00 WT3 O ATOM 45029 H1 TIP3 7232 43.479 63.070 2.132 1.00 0.00 WT3 H ATOM 45030 H2 TIP3 7232 42.345 62.468 1.329 1.00 0.00 WT3 H ATOM 45031 OH2 TIP3 7234 25.079 39.460 32.520 1.00 0.00 WT3 O ATOM 45032 H1 TIP3 7234 25.623 40.206 32.268 1.00 0.00 WT3 H ATOM 45033 H2 TIP3 7234 24.945 38.974 31.707 1.00 0.00 WT3 H ATOM 45034 OH2 TIP3 7235 21.069 77.827 -1.378 1.00 0.00 WT3 O ATOM 45035 H1 TIP3 7235 21.161 77.291 -0.590 1.00 0.00 WT3 H ATOM 45036 H2 TIP3 7235 20.338 77.433 -1.853 1.00 0.00 WT3 H ATOM 45037 OH2 TIP3 7238 54.763 30.139 21.542 1.00 0.00 WT3 O ATOM 45038 H1 TIP3 7238 54.302 30.958 21.360 1.00 0.00 WT3 H ATOM 45039 H2 TIP3 7238 54.366 29.814 22.350 1.00 0.00 WT3 H ATOM 45040 OH2 TIP3 7239 66.718 59.311 19.672 1.00 0.00 WT3 O ATOM 45041 H1 TIP3 7239 67.535 58.842 19.841 1.00 0.00 WT3 H ATOM 45042 H2 TIP3 7239 66.232 58.739 19.078 1.00 0.00 WT3 H ATOM 45043 OH2 TIP3 7240 42.435 59.842 12.820 1.00 0.00 WT3 O ATOM 45044 H1 TIP3 7240 42.572 60.476 13.523 1.00 0.00 WT3 H ATOM 45045 H2 TIP3 7240 43.317 59.562 12.573 1.00 0.00 WT3 H ATOM 45046 OH2 TIP3 7241 77.308 4.508 -16.936 1.00 0.00 WT3 O ATOM 45047 H1 TIP3 7241 77.870 4.811 -16.223 1.00 0.00 WT3 H ATOM 45048 H2 TIP3 7241 76.441 4.854 -16.722 1.00 0.00 WT3 H ATOM 45049 OH2 TIP3 7243 28.817 10.132 56.693 1.00 0.00 WT3 O ATOM 45050 H1 TIP3 7243 29.352 9.369 56.915 1.00 0.00 WT3 H ATOM 45051 H2 TIP3 7243 29.096 10.372 55.810 1.00 0.00 WT3 H ATOM 45052 OH2 TIP3 7244 88.214 95.497 23.506 1.00 0.00 WT3 O ATOM 45053 H1 TIP3 7244 87.709 94.718 23.273 1.00 0.00 WT3 H ATOM 45054 H2 TIP3 7244 88.457 95.361 24.422 1.00 0.00 WT3 H ATOM 45055 OH2 TIP3 7245 36.591 95.139 67.093 1.00 0.00 WT3 O ATOM 45056 H1 TIP3 7245 35.857 95.728 66.919 1.00 0.00 WT3 H ATOM 45057 H2 TIP3 7245 36.282 94.279 66.809 1.00 0.00 WT3 H ATOM 45058 OH2 TIP3 7247 39.653 80.373 16.017 1.00 0.00 WT3 O ATOM 45059 H1 TIP3 7247 39.439 79.459 15.827 1.00 0.00 WT3 H ATOM 45060 H2 TIP3 7247 39.211 80.555 16.846 1.00 0.00 WT3 H ATOM 45061 OH2 TIP3 7248 36.401 75.111 51.414 1.00 0.00 WT3 O ATOM 45062 H1 TIP3 7248 37.021 74.493 51.800 1.00 0.00 WT3 H ATOM 45063 H2 TIP3 7248 36.871 75.945 51.400 1.00 0.00 WT3 H ATOM 45064 OH2 TIP3 7249 76.412 49.609 58.795 1.00 0.00 WT3 O ATOM 45065 H1 TIP3 7249 76.423 50.129 59.599 1.00 0.00 WT3 H ATOM 45066 H2 TIP3 7249 75.509 49.670 58.483 1.00 0.00 WT3 H ATOM 45067 OH2 TIP3 7250 69.350 77.200 -19.626 1.00 0.00 WT3 O ATOM 45068 H1 TIP3 7250 69.557 76.998 -18.714 1.00 0.00 WT3 H ATOM 45069 H2 TIP3 7250 69.910 77.946 -19.841 1.00 0.00 WT3 H ATOM 45070 OH2 TIP3 7252 90.336 19.512 43.470 1.00 0.00 WT3 O ATOM 45071 H1 TIP3 7252 90.463 19.838 44.361 1.00 0.00 WT3 H ATOM 45072 H2 TIP3 7252 89.605 20.027 43.128 1.00 0.00 WT3 H ATOM 45073 OH2 TIP3 7253 64.260 91.231 47.844 1.00 0.00 WT3 O ATOM 45074 H1 TIP3 7253 64.786 90.818 48.528 1.00 0.00 WT3 H ATOM 45075 H2 TIP3 7253 63.412 91.393 48.257 1.00 0.00 WT3 H ATOM 45076 OH2 TIP3 7254 87.995 34.578 26.709 1.00 0.00 WT3 O ATOM 45077 H1 TIP3 7254 87.416 34.490 25.952 1.00 0.00 WT3 H ATOM 45078 H2 TIP3 7254 88.340 35.469 26.645 1.00 0.00 WT3 H ATOM 45079 OH2 TIP3 7256 48.772 0.885 2.720 1.00 0.00 WT3 O ATOM 45080 H1 TIP3 7256 48.372 0.471 1.955 1.00 0.00 WT3 H ATOM 45081 H2 TIP3 7256 49.171 1.685 2.379 1.00 0.00 WT3 H ATOM 45082 OH2 TIP3 7257 63.484 63.160 42.099 1.00 0.00 WT3 O ATOM 45083 H1 TIP3 7257 63.252 62.597 41.360 1.00 0.00 WT3 H ATOM 45084 H2 TIP3 7257 63.316 62.622 42.872 1.00 0.00 WT3 H ATOM 45085 OH2 TIP3 7258 61.951 78.922 57.679 1.00 0.00 WT3 O ATOM 45086 H1 TIP3 7258 61.626 78.091 57.331 1.00 0.00 WT3 H ATOM 45087 H2 TIP3 7258 61.165 79.457 57.797 1.00 0.00 WT3 H ATOM 45088 OH2 TIP3 7259 80.415 63.925 40.516 1.00 0.00 WT3 O ATOM 45089 H1 TIP3 7259 80.912 64.713 40.296 1.00 0.00 WT3 H ATOM 45090 H2 TIP3 7259 79.558 64.252 40.790 1.00 0.00 WT3 H ATOM 45091 OH2 TIP3 7260 64.261 51.346 23.007 1.00 0.00 WT3 O ATOM 45092 H1 TIP3 7260 64.133 51.425 23.952 1.00 0.00 WT3 H ATOM 45093 H2 TIP3 7260 63.792 52.093 22.637 1.00 0.00 WT3 H ATOM 45094 OH2 TIP3 7262 24.462 84.502 -11.306 1.00 0.00 WT3 O ATOM 45095 H1 TIP3 7262 23.579 84.770 -11.053 1.00 0.00 WT3 H ATOM 45096 H2 TIP3 7262 24.580 84.863 -12.184 1.00 0.00 WT3 H ATOM 45097 OH2 TIP3 7264 32.017 2.400 -5.888 1.00 0.00 WT3 O ATOM 45098 H1 TIP3 7264 31.360 3.093 -5.952 1.00 0.00 WT3 H ATOM 45099 H2 TIP3 7264 32.853 2.851 -6.006 1.00 0.00 WT3 H ATOM 45100 OH2 TIP3 7266 42.778 12.495 50.858 1.00 0.00 WT3 O ATOM 45101 H1 TIP3 7266 42.418 13.376 50.757 1.00 0.00 WT3 H ATOM 45102 H2 TIP3 7266 43.656 12.549 50.482 1.00 0.00 WT3 H ATOM 45103 OH2 TIP3 7267 68.550 91.440 1.953 1.00 0.00 WT3 O ATOM 45104 H1 TIP3 7267 68.072 92.260 1.829 1.00 0.00 WT3 H ATOM 45105 H2 TIP3 7267 68.484 91.263 2.892 1.00 0.00 WT3 H ATOM 45106 OH2 TIP3 7270 79.190 92.024 11.944 1.00 0.00 WT3 O ATOM 45107 H1 TIP3 7270 78.954 91.585 11.127 1.00 0.00 WT3 H ATOM 45108 H2 TIP3 7270 79.793 91.419 12.376 1.00 0.00 WT3 H ATOM 45109 OH2 TIP3 7275 58.460 74.153 40.603 1.00 0.00 WT3 O ATOM 45110 H1 TIP3 7275 58.108 73.544 39.954 1.00 0.00 WT3 H ATOM 45111 H2 TIP3 7275 58.284 75.020 40.239 1.00 0.00 WT3 H ATOM 45112 OH2 TIP3 7280 68.151 60.269 48.107 1.00 0.00 WT3 O ATOM 45113 H1 TIP3 7280 68.954 60.110 47.610 1.00 0.00 WT3 H ATOM 45114 H2 TIP3 7280 67.677 59.438 48.069 1.00 0.00 WT3 H ATOM 45115 OH2 TIP3 7281 69.801 71.450 35.337 1.00 0.00 WT3 O ATOM 45116 H1 TIP3 7281 68.924 71.792 35.511 1.00 0.00 WT3 H ATOM 45117 H2 TIP3 7281 70.151 72.023 34.655 1.00 0.00 WT3 H ATOM 45118 OH2 TIP3 7282 74.076 13.284 -15.241 1.00 0.00 WT3 O ATOM 45119 H1 TIP3 7282 73.766 14.080 -14.808 1.00 0.00 WT3 H ATOM 45120 H2 TIP3 7282 73.278 12.815 -15.482 1.00 0.00 WT3 H ATOM 45121 OH2 TIP3 7283 24.999 12.031 52.292 1.00 0.00 WT3 O ATOM 45122 H1 TIP3 7283 24.467 12.103 51.499 1.00 0.00 WT3 H ATOM 45123 H2 TIP3 7283 24.500 11.447 52.863 1.00 0.00 WT3 H ATOM 45124 OH2 TIP3 7284 26.589 6.934 8.506 1.00 0.00 WT3 O ATOM 45125 H1 TIP3 7284 27.294 7.494 8.832 1.00 0.00 WT3 H ATOM 45126 H2 TIP3 7284 26.980 6.062 8.454 1.00 0.00 WT3 H ATOM 45127 OH2 TIP3 7286 48.895 83.559 56.308 1.00 0.00 WT3 O ATOM 45128 H1 TIP3 7286 49.746 83.376 56.705 1.00 0.00 WT3 H ATOM 45129 H2 TIP3 7286 48.375 83.938 57.017 1.00 0.00 WT3 H ATOM 45130 OH2 TIP3 7295 58.105 28.088 9.046 1.00 0.00 WT3 O ATOM 45131 H1 TIP3 7295 58.758 28.781 9.141 1.00 0.00 WT3 H ATOM 45132 H2 TIP3 7295 58.421 27.381 9.608 1.00 0.00 WT3 H ATOM 45133 OH2 TIP3 7299 42.340 80.802 30.920 1.00 0.00 WT3 O ATOM 45134 H1 TIP3 7299 43.173 80.411 30.659 1.00 0.00 WT3 H ATOM 45135 H2 TIP3 7299 41.940 80.152 31.498 1.00 0.00 WT3 H ATOM 45136 OH2 TIP3 7301 76.958 4.523 52.032 1.00 0.00 WT3 O ATOM 45137 H1 TIP3 7301 76.129 4.084 52.221 1.00 0.00 WT3 H ATOM 45138 H2 TIP3 7301 76.707 5.315 51.555 1.00 0.00 WT3 H ATOM 45139 OH2 TIP3 7302 56.660 96.289 -1.900 1.00 0.00 WT3 O ATOM 45140 H1 TIP3 7302 56.792 95.578 -1.274 1.00 0.00 WT3 H ATOM 45141 H2 TIP3 7302 56.857 97.084 -1.405 1.00 0.00 WT3 H ATOM 45142 OH2 TIP3 7305 20.426 84.701 17.577 1.00 0.00 WT3 O ATOM 45143 H1 TIP3 7305 20.901 84.487 18.380 1.00 0.00 WT3 H ATOM 45144 H2 TIP3 7305 20.545 83.935 17.016 1.00 0.00 WT3 H ATOM 45145 OH2 TIP3 7311 79.089 70.300 53.311 1.00 0.00 WT3 O ATOM 45146 H1 TIP3 7311 78.442 70.262 52.606 1.00 0.00 WT3 H ATOM 45147 H2 TIP3 7311 78.799 71.026 53.864 1.00 0.00 WT3 H ATOM 45148 OH2 TIP3 7312 55.996 74.854 4.843 1.00 0.00 WT3 O ATOM 45149 H1 TIP3 7312 55.168 75.208 5.167 1.00 0.00 WT3 H ATOM 45150 H2 TIP3 7312 56.251 74.203 5.497 1.00 0.00 WT3 H ATOM 45151 OH2 TIP3 7322 56.922 63.080 59.171 1.00 0.00 WT3 O ATOM 45152 H1 TIP3 7322 57.749 62.630 59.343 1.00 0.00 WT3 H ATOM 45153 H2 TIP3 7322 56.252 62.408 59.294 1.00 0.00 WT3 H ATOM 45154 OH2 TIP3 7340 76.048 86.915 29.592 1.00 0.00 WT3 O ATOM 45155 H1 TIP3 7340 75.323 87.406 29.204 1.00 0.00 WT3 H ATOM 45156 H2 TIP3 7340 75.676 86.056 29.793 1.00 0.00 WT3 H ATOM 45157 OH2 TIP3 7343 77.040 1.660 34.206 1.00 0.00 WT3 O ATOM 45158 H1 TIP3 7343 76.584 1.417 33.400 1.00 0.00 WT3 H ATOM 45159 H2 TIP3 7343 77.718 0.992 34.308 1.00 0.00 WT3 H ATOM 45160 OH2 TIP3 7366 87.156 41.938 52.595 1.00 0.00 WT3 O ATOM 45161 H1 TIP3 7366 87.947 42.452 52.433 1.00 0.00 WT3 H ATOM 45162 H2 TIP3 7366 86.703 42.409 53.294 1.00 0.00 WT3 H ATOM 45163 OH2 TIP3 7408 21.039 61.243 19.808 1.00 0.00 WT3 O ATOM 45164 H1 TIP3 7408 21.242 60.316 19.682 1.00 0.00 WT3 H ATOM 45165 H2 TIP3 7408 20.120 61.324 19.553 1.00 0.00 WT3 H ATOM 45166 OH2 TIP3 7412 71.913 41.461 49.997 1.00 0.00 WT3 O ATOM 45167 H1 TIP3 7412 71.957 42.209 50.592 1.00 0.00 WT3 H ATOM 45168 H2 TIP3 7412 72.733 40.989 50.141 1.00 0.00 WT3 H ATOM 45169 OH2 TIP3 7415 48.740 90.035 43.825 1.00 0.00 WT3 O ATOM 45170 H1 TIP3 7415 49.255 89.987 43.020 1.00 0.00 WT3 H ATOM 45171 H2 TIP3 7415 47.860 89.762 43.564 1.00 0.00 WT3 H ATOM 45172 OH2 TIP3 7418 48.049 19.262 0.313 1.00 0.00 WT3 O ATOM 45173 H1 TIP3 7418 47.555 19.292 1.132 1.00 0.00 WT3 H ATOM 45174 H2 TIP3 7418 48.933 19.539 0.555 1.00 0.00 WT3 H ATOM 45175 OH2 TIP3 7431 24.218 72.590 8.558 1.00 0.00 WT3 O ATOM 45176 H1 TIP3 7431 23.884 73.464 8.759 1.00 0.00 WT3 H ATOM 45177 H2 TIP3 7431 24.133 72.105 9.379 1.00 0.00 WT3 H ATOM 45178 OH2 TIP3 7435 48.973 92.610 14.842 1.00 0.00 WT3 O ATOM 45179 H1 TIP3 7435 49.314 93.147 14.127 1.00 0.00 WT3 H ATOM 45180 H2 TIP3 7435 49.620 91.913 14.949 1.00 0.00 WT3 H ATOM 45181 OH2 TIP3 7436 44.258 55.792 33.644 1.00 0.00 WT3 O ATOM 45182 H1 TIP3 7436 43.686 55.638 34.396 1.00 0.00 WT3 H ATOM 45183 H2 TIP3 7436 45.109 56.002 34.029 1.00 0.00 WT3 H ATOM 45184 OH2 TIP3 7437 70.870 36.635 -0.128 1.00 0.00 WT3 O ATOM 45185 H1 TIP3 7437 71.200 37.524 -0.257 1.00 0.00 WT3 H ATOM 45186 H2 TIP3 7437 70.220 36.718 0.569 1.00 0.00 WT3 H ATOM 45187 OH2 TIP3 7439 80.971 3.583 3.624 1.00 0.00 WT3 O ATOM 45188 H1 TIP3 7439 81.436 3.248 4.391 1.00 0.00 WT3 H ATOM 45189 H2 TIP3 7439 80.659 4.448 3.892 1.00 0.00 WT3 H ATOM 45190 OH2 TIP3 7451 86.124 67.216 46.633 1.00 0.00 WT3 O ATOM 45191 H1 TIP3 7451 85.481 67.440 45.960 1.00 0.00 WT3 H ATOM 45192 H2 TIP3 7451 86.922 67.672 46.363 1.00 0.00 WT3 H ATOM 45193 OH2 TIP3 7456 55.641 72.105 23.233 1.00 0.00 WT3 O ATOM 45194 H1 TIP3 7456 56.550 71.861 23.410 1.00 0.00 WT3 H ATOM 45195 H2 TIP3 7456 55.498 72.893 23.758 1.00 0.00 WT3 H ATOM 45196 OH2 TIP3 7461 32.440 21.593 56.759 1.00 0.00 WT3 O ATOM 45197 H1 TIP3 7461 32.511 21.608 57.714 1.00 0.00 WT3 H ATOM 45198 H2 TIP3 7461 32.543 22.508 56.497 1.00 0.00 WT3 H ATOM 45199 OH2 TIP3 7467 40.970 95.135 42.494 1.00 0.00 WT3 O ATOM 45200 H1 TIP3 7467 41.021 94.503 41.777 1.00 0.00 WT3 H ATOM 45201 H2 TIP3 7467 40.431 95.847 42.148 1.00 0.00 WT3 H ATOM 45202 OH2 TIP3 7471 76.909 83.771 -15.496 1.00 0.00 WT3 O ATOM 45203 H1 TIP3 7471 77.429 84.569 -15.398 1.00 0.00 WT3 H ATOM 45204 H2 TIP3 7471 77.129 83.447 -16.369 1.00 0.00 WT3 H ATOM 45205 OH2 TIP3 7472 59.769 4.808 24.935 1.00 0.00 WT3 O ATOM 45206 H1 TIP3 7472 60.525 5.359 24.733 1.00 0.00 WT3 H ATOM 45207 H2 TIP3 7472 60.031 3.930 24.660 1.00 0.00 WT3 H ATOM 45208 OH2 TIP3 7473 75.111 50.112 52.593 1.00 0.00 WT3 O ATOM 45209 H1 TIP3 7473 74.194 50.353 52.462 1.00 0.00 WT3 H ATOM 45210 H2 TIP3 7473 75.477 50.831 53.108 1.00 0.00 WT3 H ATOM 45211 OH2 TIP3 7474 40.619 46.766 28.218 1.00 0.00 WT3 O ATOM 45212 H1 TIP3 7474 40.428 46.053 27.608 1.00 0.00 WT3 H ATOM 45213 H2 TIP3 7474 41.570 46.745 28.322 1.00 0.00 WT3 H ATOM 45214 OH2 TIP3 7476 22.467 53.418 48.226 1.00 0.00 WT3 O ATOM 45215 H1 TIP3 7476 22.732 53.783 47.382 1.00 0.00 WT3 H ATOM 45216 H2 TIP3 7476 23.204 53.603 48.809 1.00 0.00 WT3 H ATOM 45217 OH2 TIP3 7479 25.036 56.113 59.296 1.00 0.00 WT3 O ATOM 45218 H1 TIP3 7479 25.740 55.611 59.706 1.00 0.00 WT3 H ATOM 45219 H2 TIP3 7479 24.281 55.525 59.313 1.00 0.00 WT3 H ATOM 45220 OH2 TIP3 7480 52.418 47.883 -9.948 1.00 0.00 WT3 O ATOM 45221 H1 TIP3 7480 51.478 47.789 -10.102 1.00 0.00 WT3 H ATOM 45222 H2 TIP3 7480 52.503 47.909 -8.995 1.00 0.00 WT3 H ATOM 45223 OH2 TIP3 7483 73.656 95.445 10.189 1.00 0.00 WT3 O ATOM 45224 H1 TIP3 7483 74.575 95.204 10.070 1.00 0.00 WT3 H ATOM 45225 H2 TIP3 7483 73.171 94.815 9.655 1.00 0.00 WT3 H ATOM 45226 OH2 TIP3 7486 86.631 48.288 16.054 1.00 0.00 WT3 O ATOM 45227 H1 TIP3 7486 86.066 47.516 16.022 1.00 0.00 WT3 H ATOM 45228 H2 TIP3 7486 87.414 48.034 15.567 1.00 0.00 WT3 H ATOM 45229 OH2 TIP3 7490 49.885 35.282 42.337 1.00 0.00 WT3 O ATOM 45230 H1 TIP3 7490 50.032 35.212 41.394 1.00 0.00 WT3 H ATOM 45231 H2 TIP3 7490 49.801 36.222 42.498 1.00 0.00 WT3 H ATOM 45232 OH2 TIP3 7492 60.758 53.347 62.583 1.00 0.00 WT3 O ATOM 45233 H1 TIP3 7492 60.204 53.226 61.812 1.00 0.00 WT3 H ATOM 45234 H2 TIP3 7492 60.241 53.904 63.165 1.00 0.00 WT3 H ATOM 45235 OH2 TIP3 7493 91.073 50.917 44.152 1.00 0.00 WT3 O ATOM 45236 H1 TIP3 7493 90.362 50.540 43.635 1.00 0.00 WT3 H ATOM 45237 H2 TIP3 7493 90.684 51.683 44.574 1.00 0.00 WT3 H ATOM 45238 OH2 TIP3 7494 61.342 39.538 -2.530 1.00 0.00 WT3 O ATOM 45239 H1 TIP3 7494 60.887 40.238 -2.998 1.00 0.00 WT3 H ATOM 45240 H2 TIP3 7494 60.649 39.075 -2.059 1.00 0.00 WT3 H ATOM 45241 OH2 TIP3 7495 46.241 11.134 -0.743 1.00 0.00 WT3 O ATOM 45242 H1 TIP3 7495 45.467 10.703 -1.105 1.00 0.00 WT3 H ATOM 45243 H2 TIP3 7495 46.003 11.335 0.162 1.00 0.00 WT3 H ATOM 45244 OH2 TIP3 7497 28.043 39.752 -9.011 1.00 0.00 WT3 O ATOM 45245 H1 TIP3 7497 27.100 39.893 -8.935 1.00 0.00 WT3 H ATOM 45246 H2 TIP3 7497 28.202 39.692 -9.953 1.00 0.00 WT3 H ATOM 45247 OH2 TIP3 7498 39.469 58.390 14.769 1.00 0.00 WT3 O ATOM 45248 H1 TIP3 7498 38.910 58.105 15.491 1.00 0.00 WT3 H ATOM 45249 H2 TIP3 7498 40.075 59.016 15.166 1.00 0.00 WT3 H ATOM 45250 OH2 TIP3 7500 74.258 47.572 58.171 1.00 0.00 WT3 O ATOM 45251 H1 TIP3 7500 74.677 46.973 57.553 1.00 0.00 WT3 H ATOM 45252 H2 TIP3 7500 73.642 48.075 57.638 1.00 0.00 WT3 H ATOM 45253 OH2 TIP3 7501 28.743 63.304 -3.442 1.00 0.00 WT3 O ATOM 45254 H1 TIP3 7501 29.573 63.123 -3.001 1.00 0.00 WT3 H ATOM 45255 H2 TIP3 7501 28.486 64.169 -3.123 1.00 0.00 WT3 H ATOM 45256 OH2 TIP3 7503 63.587 84.143 47.857 1.00 0.00 WT3 O ATOM 45257 H1 TIP3 7503 62.733 83.967 48.252 1.00 0.00 WT3 H ATOM 45258 H2 TIP3 7503 64.045 83.303 47.891 1.00 0.00 WT3 H ATOM 45259 OH2 TIP3 7504 61.377 81.250 2.315 1.00 0.00 WT3 O ATOM 45260 H1 TIP3 7504 60.882 80.904 3.057 1.00 0.00 WT3 H ATOM 45261 H2 TIP3 7504 61.794 80.481 1.925 1.00 0.00 WT3 H ATOM 45262 OH2 TIP3 7505 59.001 70.582 -2.810 1.00 0.00 WT3 O ATOM 45263 H1 TIP3 7505 59.911 70.697 -3.084 1.00 0.00 WT3 H ATOM 45264 H2 TIP3 7505 59.060 70.268 -1.908 1.00 0.00 WT3 H ATOM 45265 OH2 TIP3 7507 39.799 93.036 51.846 1.00 0.00 WT3 O ATOM 45266 H1 TIP3 7507 39.680 93.924 51.509 1.00 0.00 WT3 H ATOM 45267 H2 TIP3 7507 40.458 93.127 52.534 1.00 0.00 WT3 H ATOM 45268 OH2 TIP3 7508 76.865 96.426 -9.620 1.00 0.00 WT3 O ATOM 45269 H1 TIP3 7508 75.928 96.229 -9.654 1.00 0.00 WT3 H ATOM 45270 H2 TIP3 7508 76.970 96.953 -8.828 1.00 0.00 WT3 H ATOM 45271 OH2 TIP3 7509 54.201 54.540 50.794 1.00 0.00 WT3 O ATOM 45272 H1 TIP3 7509 54.678 54.729 49.986 1.00 0.00 WT3 H ATOM 45273 H2 TIP3 7509 53.312 54.334 50.506 1.00 0.00 WT3 H ATOM 45274 OH2 TIP3 7510 82.249 32.475 -12.297 1.00 0.00 WT3 O ATOM 45275 H1 TIP3 7510 81.940 33.283 -11.888 1.00 0.00 WT3 H ATOM 45276 H2 TIP3 7510 81.459 32.068 -12.652 1.00 0.00 WT3 H ATOM 45277 OH2 TIP3 7511 50.684 51.733 -11.616 1.00 0.00 WT3 O ATOM 45278 H1 TIP3 7511 51.053 52.491 -12.070 1.00 0.00 WT3 H ATOM 45279 H2 TIP3 7511 50.605 52.015 -10.705 1.00 0.00 WT3 H ATOM 45280 OH2 TIP3 7513 85.695 66.953 8.934 1.00 0.00 WT3 O ATOM 45281 H1 TIP3 7513 85.224 67.080 9.757 1.00 0.00 WT3 H ATOM 45282 H2 TIP3 7513 85.025 66.661 8.316 1.00 0.00 WT3 H ATOM 45283 OH2 TIP3 7516 83.498 95.581 4.782 1.00 0.00 WT3 O ATOM 45284 H1 TIP3 7516 83.354 94.634 4.768 1.00 0.00 WT3 H ATOM 45285 H2 TIP3 7516 83.100 95.896 3.970 1.00 0.00 WT3 H ATOM 45286 OH2 TIP3 7519 22.235 50.289 7.038 1.00 0.00 WT3 O ATOM 45287 H1 TIP3 7519 22.466 50.890 7.746 1.00 0.00 WT3 H ATOM 45288 H2 TIP3 7519 21.814 49.551 7.476 1.00 0.00 WT3 H ATOM 45289 OH2 TIP3 7520 72.522 49.632 38.466 1.00 0.00 WT3 O ATOM 45290 H1 TIP3 7520 72.811 50.443 38.048 1.00 0.00 WT3 H ATOM 45291 H2 TIP3 7520 72.993 48.941 37.999 1.00 0.00 WT3 H ATOM 45292 OH2 TIP3 7522 84.560 51.022 26.288 1.00 0.00 WT3 O ATOM 45293 H1 TIP3 7522 83.857 51.667 26.367 1.00 0.00 WT3 H ATOM 45294 H2 TIP3 7522 84.508 50.721 25.380 1.00 0.00 WT3 H ATOM 45295 OH2 TIP3 7523 52.411 23.790 31.176 1.00 0.00 WT3 O ATOM 45296 H1 TIP3 7523 51.949 24.535 30.792 1.00 0.00 WT3 H ATOM 45297 H2 TIP3 7523 51.771 23.078 31.164 1.00 0.00 WT3 H ATOM 45298 OH2 TIP3 7524 46.074 86.683 -13.736 1.00 0.00 WT3 O ATOM 45299 H1 TIP3 7524 46.254 86.864 -14.658 1.00 0.00 WT3 H ATOM 45300 H2 TIP3 7524 46.221 87.519 -13.293 1.00 0.00 WT3 H ATOM 45301 OH2 TIP3 7525 61.010 58.306 21.924 1.00 0.00 WT3 O ATOM 45302 H1 TIP3 7525 60.885 59.066 22.491 1.00 0.00 WT3 H ATOM 45303 H2 TIP3 7525 60.392 58.439 21.205 1.00 0.00 WT3 H ATOM 45304 OH2 TIP3 7526 22.649 50.956 20.649 1.00 0.00 WT3 O ATOM 45305 H1 TIP3 7526 23.582 50.855 20.840 1.00 0.00 WT3 H ATOM 45306 H2 TIP3 7526 22.573 51.833 20.275 1.00 0.00 WT3 H ATOM 45307 OH2 TIP3 7527 88.201 64.084 6.881 1.00 0.00 WT3 O ATOM 45308 H1 TIP3 7527 87.733 63.306 6.578 1.00 0.00 WT3 H ATOM 45309 H2 TIP3 7527 89.125 63.881 6.734 1.00 0.00 WT3 H ATOM 45310 OH2 TIP3 7528 90.498 41.860 49.393 1.00 0.00 WT3 O ATOM 45311 H1 TIP3 7528 90.738 41.113 49.942 1.00 0.00 WT3 H ATOM 45312 H2 TIP3 7528 89.841 42.332 49.905 1.00 0.00 WT3 H ATOM 45313 OH2 TIP3 7529 55.535 72.082 27.887 1.00 0.00 WT3 O ATOM 45314 H1 TIP3 7529 56.026 71.711 27.154 1.00 0.00 WT3 H ATOM 45315 H2 TIP3 7529 54.722 71.577 27.911 1.00 0.00 WT3 H ATOM 45316 OH2 TIP3 7530 52.516 68.140 31.345 1.00 0.00 WT3 O ATOM 45317 H1 TIP3 7530 53.250 68.749 31.418 1.00 0.00 WT3 H ATOM 45318 H2 TIP3 7530 52.730 67.597 30.586 1.00 0.00 WT3 H ATOM 45319 OH2 TIP3 7531 86.024 35.023 30.353 1.00 0.00 WT3 O ATOM 45320 H1 TIP3 7531 86.830 34.997 29.837 1.00 0.00 WT3 H ATOM 45321 H2 TIP3 7531 85.539 34.244 30.080 1.00 0.00 WT3 H ATOM 45322 OH2 TIP3 7532 76.760 84.973 49.429 1.00 0.00 WT3 O ATOM 45323 H1 TIP3 7532 77.120 85.847 49.279 1.00 0.00 WT3 H ATOM 45324 H2 TIP3 7532 77.528 84.415 49.554 1.00 0.00 WT3 H ATOM 45325 OH2 TIP3 7537 23.683 71.184 10.815 1.00 0.00 WT3 O ATOM 45326 H1 TIP3 7537 23.275 70.429 11.240 1.00 0.00 WT3 H ATOM 45327 H2 TIP3 7537 24.570 71.212 11.176 1.00 0.00 WT3 H ATOM 45328 OH2 TIP3 7538 88.839 80.089 5.509 1.00 0.00 WT3 O ATOM 45329 H1 TIP3 7538 89.462 80.050 6.234 1.00 0.00 WT3 H ATOM 45330 H2 TIP3 7538 88.051 80.476 5.891 1.00 0.00 WT3 H ATOM 45331 OH2 TIP3 7539 80.266 92.393 -8.442 1.00 0.00 WT3 O ATOM 45332 H1 TIP3 7539 79.701 92.517 -9.205 1.00 0.00 WT3 H ATOM 45333 H2 TIP3 7539 79.817 91.732 -7.915 1.00 0.00 WT3 H ATOM 45334 OH2 TIP3 7540 79.275 30.798 25.578 1.00 0.00 WT3 O ATOM 45335 H1 TIP3 7540 79.498 31.148 24.715 1.00 0.00 WT3 H ATOM 45336 H2 TIP3 7540 78.590 31.382 25.904 1.00 0.00 WT3 H ATOM 45337 OH2 TIP3 7541 27.189 7.028 50.606 1.00 0.00 WT3 O ATOM 45338 H1 TIP3 7541 26.429 7.478 50.975 1.00 0.00 WT3 H ATOM 45339 H2 TIP3 7541 26.847 6.566 49.841 1.00 0.00 WT3 H ATOM 45340 OH2 TIP3 7542 80.092 63.208 19.872 1.00 0.00 WT3 O ATOM 45341 H1 TIP3 7542 79.986 63.906 19.226 1.00 0.00 WT3 H ATOM 45342 H2 TIP3 7542 79.624 63.522 20.645 1.00 0.00 WT3 H ATOM 45343 OH2 TIP3 7544 82.213 73.191 36.428 1.00 0.00 WT3 O ATOM 45344 H1 TIP3 7544 82.797 73.118 37.183 1.00 0.00 WT3 H ATOM 45345 H2 TIP3 7544 81.786 72.337 36.372 1.00 0.00 WT3 H ATOM 45346 OH2 TIP3 7545 35.933 59.659 17.952 1.00 0.00 WT3 O ATOM 45347 H1 TIP3 7545 36.616 60.315 17.810 1.00 0.00 WT3 H ATOM 45348 H2 TIP3 7545 36.331 58.835 17.671 1.00 0.00 WT3 H ATOM 45349 OH2 TIP3 7547 69.704 34.897 63.738 1.00 0.00 WT3 O ATOM 45350 H1 TIP3 7547 69.673 34.421 62.908 1.00 0.00 WT3 H ATOM 45351 H2 TIP3 7547 68.802 35.178 63.887 1.00 0.00 WT3 H ATOM 45352 OH2 TIP3 7550 30.308 89.817 0.151 1.00 0.00 WT3 O ATOM 45353 H1 TIP3 7550 29.392 90.096 0.151 1.00 0.00 WT3 H ATOM 45354 H2 TIP3 7550 30.634 90.063 -0.715 1.00 0.00 WT3 H ATOM 45355 OH2 TIP3 7551 31.623 21.423 20.371 1.00 0.00 WT3 O ATOM 45356 H1 TIP3 7551 32.401 20.917 20.138 1.00 0.00 WT3 H ATOM 45357 H2 TIP3 7551 31.757 22.274 19.954 1.00 0.00 WT3 H ATOM 45358 OH2 TIP3 7552 65.662 72.774 -6.424 1.00 0.00 WT3 O ATOM 45359 H1 TIP3 7552 66.369 73.229 -5.967 1.00 0.00 WT3 H ATOM 45360 H2 TIP3 7552 66.105 72.106 -6.948 1.00 0.00 WT3 H ATOM 45361 OH2 TIP3 7553 33.807 80.527 35.080 1.00 0.00 WT3 O ATOM 45362 H1 TIP3 7553 33.289 79.783 35.388 1.00 0.00 WT3 H ATOM 45363 H2 TIP3 7553 33.705 80.513 34.128 1.00 0.00 WT3 H ATOM 45364 OH2 TIP3 7554 45.946 74.312 45.632 1.00 0.00 WT3 O ATOM 45365 H1 TIP3 7554 45.916 73.628 46.300 1.00 0.00 WT3 H ATOM 45366 H2 TIP3 7554 46.794 74.737 45.761 1.00 0.00 WT3 H ATOM 45367 OH2 TIP3 7555 60.680 55.767 -4.122 1.00 0.00 WT3 O ATOM 45368 H1 TIP3 7555 60.029 55.152 -4.459 1.00 0.00 WT3 H ATOM 45369 H2 TIP3 7555 60.223 56.244 -3.429 1.00 0.00 WT3 H ATOM 45370 OH2 TIP3 7556 62.448 53.392 22.417 1.00 0.00 WT3 O ATOM 45371 H1 TIP3 7556 61.499 53.395 22.538 1.00 0.00 WT3 H ATOM 45372 H2 TIP3 7556 62.576 53.677 21.512 1.00 0.00 WT3 H ATOM 45373 OH2 TIP3 7557 58.381 19.477 27.381 1.00 0.00 WT3 O ATOM 45374 H1 TIP3 7557 58.267 20.399 27.150 1.00 0.00 WT3 H ATOM 45375 H2 TIP3 7557 59.324 19.375 27.505 1.00 0.00 WT3 H ATOM 45376 OH2 TIP3 7558 33.009 77.299 44.081 1.00 0.00 WT3 O ATOM 45377 H1 TIP3 7558 32.609 76.577 44.565 1.00 0.00 WT3 H ATOM 45378 H2 TIP3 7558 33.319 76.901 43.268 1.00 0.00 WT3 H ATOM 45379 OH2 TIP3 7559 27.113 22.048 7.732 1.00 0.00 WT3 O ATOM 45380 H1 TIP3 7559 27.234 22.934 7.390 1.00 0.00 WT3 H ATOM 45381 H2 TIP3 7559 26.329 22.107 8.278 1.00 0.00 WT3 H ATOM 45382 OH2 TIP3 7560 90.577 78.830 1.487 1.00 0.00 WT3 O ATOM 45383 H1 TIP3 7560 89.730 79.157 1.790 1.00 0.00 WT3 H ATOM 45384 H2 TIP3 7560 90.436 77.894 1.346 1.00 0.00 WT3 H ATOM 45385 OH2 TIP3 7561 37.855 77.616 -17.662 1.00 0.00 WT3 O ATOM 45386 H1 TIP3 7561 38.466 77.539 -16.930 1.00 0.00 WT3 H ATOM 45387 H2 TIP3 7561 37.660 76.713 -17.909 1.00 0.00 WT3 H ATOM 45388 OH2 TIP3 7562 70.111 66.589 64.896 1.00 0.00 WT3 O ATOM 45389 H1 TIP3 7562 70.486 67.453 65.066 1.00 0.00 WT3 H ATOM 45390 H2 TIP3 7562 70.148 66.141 65.741 1.00 0.00 WT3 H ATOM 45391 OH2 TIP3 7563 76.348 59.391 19.757 1.00 0.00 WT3 O ATOM 45392 H1 TIP3 7563 76.538 60.326 19.688 1.00 0.00 WT3 H ATOM 45393 H2 TIP3 7563 75.397 59.345 19.848 1.00 0.00 WT3 H ATOM 45394 OH2 TIP3 7564 75.617 7.850 -19.771 1.00 0.00 WT3 O ATOM 45395 H1 TIP3 7564 75.837 8.759 -19.570 1.00 0.00 WT3 H ATOM 45396 H2 TIP3 7564 76.416 7.360 -19.573 1.00 0.00 WT3 H ATOM 45397 OH2 TIP3 7567 72.075 59.737 34.729 1.00 0.00 WT3 O ATOM 45398 H1 TIP3 7567 71.496 59.366 35.394 1.00 0.00 WT3 H ATOM 45399 H2 TIP3 7567 72.326 60.592 35.079 1.00 0.00 WT3 H ATOM 45400 OH2 TIP3 7568 28.837 46.886 -8.780 1.00 0.00 WT3 O ATOM 45401 H1 TIP3 7568 28.854 46.443 -7.932 1.00 0.00 WT3 H ATOM 45402 H2 TIP3 7568 28.552 47.778 -8.580 1.00 0.00 WT3 H ATOM 45403 OH2 TIP3 7570 28.647 25.505 36.482 1.00 0.00 WT3 O ATOM 45404 H1 TIP3 7570 28.310 25.462 37.377 1.00 0.00 WT3 H ATOM 45405 H2 TIP3 7570 28.515 24.624 36.133 1.00 0.00 WT3 H ATOM 45406 OH2 TIP3 7571 89.481 43.529 51.131 1.00 0.00 WT3 O ATOM 45407 H1 TIP3 7571 88.875 44.268 51.088 1.00 0.00 WT3 H ATOM 45408 H2 TIP3 7571 90.042 43.721 51.882 1.00 0.00 WT3 H ATOM 45409 OH2 TIP3 7572 56.515 18.525 59.363 1.00 0.00 WT3 O ATOM 45410 H1 TIP3 7572 56.453 19.170 58.659 1.00 0.00 WT3 H ATOM 45411 H2 TIP3 7572 56.250 17.700 58.958 1.00 0.00 WT3 H ATOM 45412 OH2 TIP3 7574 77.194 1.527 -7.430 1.00 0.00 WT3 O ATOM 45413 H1 TIP3 7574 76.945 2.437 -7.271 1.00 0.00 WT3 H ATOM 45414 H2 TIP3 7574 78.019 1.585 -7.912 1.00 0.00 WT3 H ATOM 45415 OH2 TIP3 7575 46.197 78.446 -14.408 1.00 0.00 WT3 O ATOM 45416 H1 TIP3 7575 45.801 77.631 -14.100 1.00 0.00 WT3 H ATOM 45417 H2 TIP3 7575 45.996 78.471 -15.344 1.00 0.00 WT3 H ATOM 45418 OH2 TIP3 7576 41.618 94.491 3.489 1.00 0.00 WT3 O ATOM 45419 H1 TIP3 7576 42.316 93.879 3.725 1.00 0.00 WT3 H ATOM 45420 H2 TIP3 7576 40.859 94.196 3.992 1.00 0.00 WT3 H ATOM 45421 OH2 TIP3 7578 46.992 66.134 65.947 1.00 0.00 WT3 O ATOM 45422 H1 TIP3 7578 46.949 65.426 66.590 1.00 0.00 WT3 H ATOM 45423 H2 TIP3 7578 47.584 66.777 66.336 1.00 0.00 WT3 H ATOM 45424 OH2 TIP3 7579 40.031 69.489 31.588 1.00 0.00 WT3 O ATOM 45425 H1 TIP3 7579 40.013 69.558 32.542 1.00 0.00 WT3 H ATOM 45426 H2 TIP3 7579 40.607 70.201 31.307 1.00 0.00 WT3 H ATOM 45427 OH2 TIP3 7580 70.938 62.038 1.977 1.00 0.00 WT3 O ATOM 45428 H1 TIP3 7580 71.414 62.078 2.807 1.00 0.00 WT3 H ATOM 45429 H2 TIP3 7580 70.314 62.762 2.024 1.00 0.00 WT3 H ATOM 45430 OH2 TIP3 7581 60.165 2.809 39.947 1.00 0.00 WT3 O ATOM 45431 H1 TIP3 7581 59.460 2.671 39.314 1.00 0.00 WT3 H ATOM 45432 H2 TIP3 7581 59.888 3.573 40.453 1.00 0.00 WT3 H ATOM 45433 OH2 TIP3 7582 50.641 5.996 29.930 1.00 0.00 WT3 O ATOM 45434 H1 TIP3 7582 50.929 6.893 29.764 1.00 0.00 WT3 H ATOM 45435 H2 TIP3 7582 49.686 6.052 29.964 1.00 0.00 WT3 H ATOM 45436 OH2 TIP3 7584 83.347 41.194 39.176 1.00 0.00 WT3 O ATOM 45437 H1 TIP3 7584 83.698 41.844 39.784 1.00 0.00 WT3 H ATOM 45438 H2 TIP3 7584 84.086 40.969 38.612 1.00 0.00 WT3 H ATOM 45439 OH2 TIP3 7585 24.702 8.857 58.421 1.00 0.00 WT3 O ATOM 45440 H1 TIP3 7585 25.373 9.509 58.219 1.00 0.00 WT3 H ATOM 45441 H2 TIP3 7585 23.918 9.173 57.972 1.00 0.00 WT3 H ATOM 45442 OH2 TIP3 7586 26.851 6.508 -14.144 1.00 0.00 WT3 O ATOM 45443 H1 TIP3 7586 26.218 7.218 -14.038 1.00 0.00 WT3 H ATOM 45444 H2 TIP3 7586 26.671 5.916 -13.415 1.00 0.00 WT3 H ATOM 45445 OH2 TIP3 7587 20.909 19.217 51.619 1.00 0.00 WT3 O ATOM 45446 H1 TIP3 7587 21.234 18.851 50.797 1.00 0.00 WT3 H ATOM 45447 H2 TIP3 7587 21.231 18.619 52.293 1.00 0.00 WT3 H ATOM 45448 OH2 TIP3 7588 76.247 71.918 36.199 1.00 0.00 WT3 O ATOM 45449 H1 TIP3 7588 76.088 72.622 35.569 1.00 0.00 WT3 H ATOM 45450 H2 TIP3 7588 75.560 71.277 36.020 1.00 0.00 WT3 H ATOM 45451 OH2 TIP3 7589 90.414 89.870 -8.837 1.00 0.00 WT3 O ATOM 45452 H1 TIP3 7589 90.741 90.074 -7.961 1.00 0.00 WT3 H ATOM 45453 H2 TIP3 7589 89.770 90.555 -9.018 1.00 0.00 WT3 H ATOM 45454 OH2 TIP3 7590 67.017 67.720 -3.081 1.00 0.00 WT3 O ATOM 45455 H1 TIP3 7590 67.553 66.930 -3.145 1.00 0.00 WT3 H ATOM 45456 H2 TIP3 7590 67.044 68.101 -3.959 1.00 0.00 WT3 H ATOM 45457 OH2 TIP3 7591 70.432 79.645 13.920 1.00 0.00 WT3 O ATOM 45458 H1 TIP3 7591 70.182 79.829 13.014 1.00 0.00 WT3 H ATOM 45459 H2 TIP3 7591 70.063 78.780 14.099 1.00 0.00 WT3 H ATOM 45460 OH2 TIP3 7592 45.942 15.914 29.619 1.00 0.00 WT3 O ATOM 45461 H1 TIP3 7592 45.698 16.768 29.263 1.00 0.00 WT3 H ATOM 45462 H2 TIP3 7592 46.868 16.004 29.844 1.00 0.00 WT3 H ATOM 45463 OH2 TIP3 7593 33.712 2.239 26.856 1.00 0.00 WT3 O ATOM 45464 H1 TIP3 7593 34.111 2.469 26.016 1.00 0.00 WT3 H ATOM 45465 H2 TIP3 7593 33.704 3.059 27.350 1.00 0.00 WT3 H ATOM 45466 OH2 TIP3 7594 90.552 74.582 47.979 1.00 0.00 WT3 O ATOM 45467 H1 TIP3 7594 90.096 73.815 48.324 1.00 0.00 WT3 H ATOM 45468 H2 TIP3 7594 91.349 74.230 47.583 1.00 0.00 WT3 H ATOM 45469 OH2 TIP3 7595 32.866 81.959 29.967 1.00 0.00 WT3 O ATOM 45470 H1 TIP3 7595 33.393 81.969 29.168 1.00 0.00 WT3 H ATOM 45471 H2 TIP3 7595 31.967 82.081 29.664 1.00 0.00 WT3 H ATOM 45472 OH2 TIP3 7596 59.178 81.044 -15.709 1.00 0.00 WT3 O ATOM 45473 H1 TIP3 7596 59.039 80.462 -16.455 1.00 0.00 WT3 H ATOM 45474 H2 TIP3 7596 58.558 80.738 -15.047 1.00 0.00 WT3 H ATOM 45475 OH2 TIP3 7597 58.670 14.357 12.244 1.00 0.00 WT3 O ATOM 45476 H1 TIP3 7597 58.015 13.997 12.841 1.00 0.00 WT3 H ATOM 45477 H2 TIP3 7597 58.460 15.290 12.192 1.00 0.00 WT3 H ATOM 45478 OH2 TIP3 7598 85.069 95.895 35.559 1.00 0.00 WT3 O ATOM 45479 H1 TIP3 7598 84.308 96.405 35.282 1.00 0.00 WT3 H ATOM 45480 H2 TIP3 7598 85.131 95.188 34.916 1.00 0.00 WT3 H ATOM 45481 OH2 TIP3 7599 33.853 35.019 13.906 1.00 0.00 WT3 O ATOM 45482 H1 TIP3 7599 34.601 35.130 13.319 1.00 0.00 WT3 H ATOM 45483 H2 TIP3 7599 33.896 35.775 14.493 1.00 0.00 WT3 H ATOM 45484 OH2 TIP3 7600 30.043 24.786 -13.768 1.00 0.00 WT3 O ATOM 45485 H1 TIP3 7600 29.988 24.583 -12.834 1.00 0.00 WT3 H ATOM 45486 H2 TIP3 7600 29.507 25.572 -13.874 1.00 0.00 WT3 H ATOM 45487 OH2 TIP3 7602 81.655 95.885 56.116 1.00 0.00 WT3 O ATOM 45488 H1 TIP3 7602 81.229 96.617 56.562 1.00 0.00 WT3 H ATOM 45489 H2 TIP3 7602 81.976 95.327 56.824 1.00 0.00 WT3 H ATOM 45490 OH2 TIP3 7604 68.515 3.439 -13.517 1.00 0.00 WT3 O ATOM 45491 H1 TIP3 7604 69.386 3.599 -13.881 1.00 0.00 WT3 H ATOM 45492 H2 TIP3 7604 68.535 3.857 -12.656 1.00 0.00 WT3 H ATOM 45493 OH2 TIP3 7605 83.451 14.913 -5.010 1.00 0.00 WT3 O ATOM 45494 H1 TIP3 7605 82.684 15.349 -5.381 1.00 0.00 WT3 H ATOM 45495 H2 TIP3 7605 83.443 15.160 -4.086 1.00 0.00 WT3 H ATOM 45496 OH2 TIP3 7606 88.416 42.661 35.362 1.00 0.00 WT3 O ATOM 45497 H1 TIP3 7606 87.681 42.784 35.963 1.00 0.00 WT3 H ATOM 45498 H2 TIP3 7606 88.271 41.796 34.979 1.00 0.00 WT3 H ATOM 45499 OH2 TIP3 7608 58.464 29.363 5.666 1.00 0.00 WT3 O ATOM 45500 H1 TIP3 7608 57.575 29.454 5.322 1.00 0.00 WT3 H ATOM 45501 H2 TIP3 7608 58.783 30.262 5.747 1.00 0.00 WT3 H ATOM 45502 OH2 TIP3 7609 41.155 15.245 15.359 1.00 0.00 WT3 O ATOM 45503 H1 TIP3 7609 41.287 15.562 16.252 1.00 0.00 WT3 H ATOM 45504 H2 TIP3 7609 41.972 15.456 14.906 1.00 0.00 WT3 H ATOM 45505 OH2 TIP3 7610 28.193 90.047 20.311 1.00 0.00 WT3 O ATOM 45506 H1 TIP3 7610 28.815 89.327 20.414 1.00 0.00 WT3 H ATOM 45507 H2 TIP3 7610 27.532 89.892 20.985 1.00 0.00 WT3 H ATOM 45508 OH2 TIP3 7611 42.130 14.940 4.394 1.00 0.00 WT3 O ATOM 45509 H1 TIP3 7611 41.436 15.570 4.589 1.00 0.00 WT3 H ATOM 45510 H2 TIP3 7611 42.678 14.936 5.179 1.00 0.00 WT3 H ATOM 45511 OH2 TIP3 7612 65.433 80.017 40.420 1.00 0.00 WT3 O ATOM 45512 H1 TIP3 7612 65.642 80.164 41.342 1.00 0.00 WT3 H ATOM 45513 H2 TIP3 7612 65.251 79.079 40.362 1.00 0.00 WT3 H ATOM 45514 OH2 TIP3 7613 33.203 15.254 29.376 1.00 0.00 WT3 O ATOM 45515 H1 TIP3 7613 33.224 15.860 30.117 1.00 0.00 WT3 H ATOM 45516 H2 TIP3 7613 34.013 14.750 29.455 1.00 0.00 WT3 H ATOM 45517 OH2 TIP3 7614 25.154 38.754 38.248 1.00 0.00 WT3 O ATOM 45518 H1 TIP3 7614 25.540 39.582 37.961 1.00 0.00 WT3 H ATOM 45519 H2 TIP3 7614 24.256 38.781 37.917 1.00 0.00 WT3 H ATOM 45520 OH2 TIP3 7615 71.950 52.447 -10.625 1.00 0.00 WT3 O ATOM 45521 H1 TIP3 7615 71.451 51.700 -10.956 1.00 0.00 WT3 H ATOM 45522 H2 TIP3 7615 71.700 52.514 -9.704 1.00 0.00 WT3 H ATOM 45523 OH2 TIP3 7616 31.656 76.501 16.171 1.00 0.00 WT3 O ATOM 45524 H1 TIP3 7616 32.373 75.943 16.469 1.00 0.00 WT3 H ATOM 45525 H2 TIP3 7616 32.088 77.238 15.739 1.00 0.00 WT3 H ATOM 45526 OH2 TIP3 7617 72.190 59.563 55.413 1.00 0.00 WT3 O ATOM 45527 H1 TIP3 7617 71.789 59.918 56.206 1.00 0.00 WT3 H ATOM 45528 H2 TIP3 7617 71.531 59.695 54.731 1.00 0.00 WT3 H ATOM 45529 OH2 TIP3 7618 53.259 15.014 45.038 1.00 0.00 WT3 O ATOM 45530 H1 TIP3 7618 53.086 14.091 45.225 1.00 0.00 WT3 H ATOM 45531 H2 TIP3 7618 53.499 15.030 44.111 1.00 0.00 WT3 H ATOM 45532 OH2 TIP3 7619 88.547 40.677 16.372 1.00 0.00 WT3 O ATOM 45533 H1 TIP3 7619 88.574 39.801 15.988 1.00 0.00 WT3 H ATOM 45534 H2 TIP3 7619 89.461 40.959 16.393 1.00 0.00 WT3 H ATOM 45535 OH2 TIP3 7620 81.603 0.782 -4.402 1.00 0.00 WT3 O ATOM 45536 H1 TIP3 7620 81.936 1.230 -3.624 1.00 0.00 WT3 H ATOM 45537 H2 TIP3 7620 82.227 1.005 -5.093 1.00 0.00 WT3 H ATOM 45538 OH2 TIP3 7621 62.125 84.473 26.231 1.00 0.00 WT3 O ATOM 45539 H1 TIP3 7621 61.454 84.609 26.900 1.00 0.00 WT3 H ATOM 45540 H2 TIP3 7621 62.306 83.534 26.261 1.00 0.00 WT3 H ATOM 45541 OH2 TIP3 7623 45.682 13.290 42.994 1.00 0.00 WT3 O ATOM 45542 H1 TIP3 7623 45.659 14.246 42.938 1.00 0.00 WT3 H ATOM 45543 H2 TIP3 7623 46.606 13.080 43.128 1.00 0.00 WT3 H ATOM 45544 OH2 TIP3 7624 61.431 87.950 57.367 1.00 0.00 WT3 O ATOM 45545 H1 TIP3 7624 61.618 87.471 56.559 1.00 0.00 WT3 H ATOM 45546 H2 TIP3 7624 60.506 87.778 57.540 1.00 0.00 WT3 H ATOM 45547 OH2 TIP3 7625 87.475 22.835 -15.269 1.00 0.00 WT3 O ATOM 45548 H1 TIP3 7625 86.827 22.159 -15.072 1.00 0.00 WT3 H ATOM 45549 H2 TIP3 7625 88.308 22.459 -14.986 1.00 0.00 WT3 H ATOM 45550 OH2 TIP3 7626 83.075 85.461 22.890 1.00 0.00 WT3 O ATOM 45551 H1 TIP3 7626 83.571 85.742 23.660 1.00 0.00 WT3 H ATOM 45552 H2 TIP3 7626 83.353 84.557 22.743 1.00 0.00 WT3 H ATOM 45553 OH2 TIP3 7627 85.828 82.510 19.587 1.00 0.00 WT3 O ATOM 45554 H1 TIP3 7627 86.699 82.231 19.304 1.00 0.00 WT3 H ATOM 45555 H2 TIP3 7627 85.992 83.100 20.322 1.00 0.00 WT3 H ATOM 45556 OH2 TIP3 7628 33.092 81.681 43.175 1.00 0.00 WT3 O ATOM 45557 H1 TIP3 7628 33.076 80.751 42.950 1.00 0.00 WT3 H ATOM 45558 H2 TIP3 7628 33.951 81.984 42.880 1.00 0.00 WT3 H ATOM 45559 OH2 TIP3 7629 90.566 75.642 31.181 1.00 0.00 WT3 O ATOM 45560 H1 TIP3 7629 90.574 75.097 30.394 1.00 0.00 WT3 H ATOM 45561 H2 TIP3 7629 90.967 75.094 31.856 1.00 0.00 WT3 H ATOM 45562 OH2 TIP3 7630 29.015 73.226 -4.476 1.00 0.00 WT3 O ATOM 45563 H1 TIP3 7630 28.390 72.765 -5.036 1.00 0.00 WT3 H ATOM 45564 H2 TIP3 7630 29.734 72.605 -4.357 1.00 0.00 WT3 H ATOM 45565 OH2 TIP3 7631 43.116 52.367 16.664 1.00 0.00 WT3 O ATOM 45566 H1 TIP3 7631 42.884 52.842 17.461 1.00 0.00 WT3 H ATOM 45567 H2 TIP3 7631 44.064 52.474 16.588 1.00 0.00 WT3 H ATOM 45568 OH2 TIP3 7632 74.415 31.911 65.364 1.00 0.00 WT3 O ATOM 45569 H1 TIP3 7632 73.804 32.139 66.065 1.00 0.00 WT3 H ATOM 45570 H2 TIP3 7632 74.355 32.640 64.747 1.00 0.00 WT3 H ATOM 45571 OH2 TIP3 7633 74.693 60.563 11.791 1.00 0.00 WT3 O ATOM 45572 H1 TIP3 7633 75.188 60.607 10.973 1.00 0.00 WT3 H ATOM 45573 H2 TIP3 7633 73.884 60.108 11.558 1.00 0.00 WT3 H ATOM 45574 OH2 TIP3 7634 21.941 59.446 14.655 1.00 0.00 WT3 O ATOM 45575 H1 TIP3 7634 21.793 60.283 15.095 1.00 0.00 WT3 H ATOM 45576 H2 TIP3 7634 22.766 59.126 15.020 1.00 0.00 WT3 H ATOM 45577 OH2 TIP3 7635 53.191 75.090 5.510 1.00 0.00 WT3 O ATOM 45578 H1 TIP3 7635 52.512 75.147 6.183 1.00 0.00 WT3 H ATOM 45579 H2 TIP3 7635 53.403 74.158 5.463 1.00 0.00 WT3 H ATOM 45580 OH2 TIP3 7636 81.080 70.650 36.540 1.00 0.00 WT3 O ATOM 45581 H1 TIP3 7636 81.473 70.148 35.826 1.00 0.00 WT3 H ATOM 45582 H2 TIP3 7636 80.308 70.144 36.792 1.00 0.00 WT3 H ATOM 45583 OH2 TIP3 7637 90.834 27.319 36.006 1.00 0.00 WT3 O ATOM 45584 H1 TIP3 7637 90.645 27.343 35.068 1.00 0.00 WT3 H ATOM 45585 H2 TIP3 7637 90.027 27.625 36.421 1.00 0.00 WT3 H ATOM 45586 OH2 TIP3 7638 69.069 1.844 61.869 1.00 0.00 WT3 O ATOM 45587 H1 TIP3 7638 68.777 2.399 61.145 1.00 0.00 WT3 H ATOM 45588 H2 TIP3 7638 69.069 0.958 61.507 1.00 0.00 WT3 H ATOM 45589 OH2 TIP3 7639 43.914 94.466 11.659 1.00 0.00 WT3 O ATOM 45590 H1 TIP3 7639 43.726 94.462 10.721 1.00 0.00 WT3 H ATOM 45591 H2 TIP3 7639 43.164 94.022 12.056 1.00 0.00 WT3 H ATOM 45592 OH2 TIP3 7640 67.882 75.716 59.852 1.00 0.00 WT3 O ATOM 45593 H1 TIP3 7640 68.755 76.002 60.121 1.00 0.00 WT3 H ATOM 45594 H2 TIP3 7640 67.340 75.832 60.632 1.00 0.00 WT3 H ATOM 45595 OH2 TIP3 7641 32.660 68.831 4.879 1.00 0.00 WT3 O ATOM 45596 H1 TIP3 7641 33.354 69.468 5.048 1.00 0.00 WT3 H ATOM 45597 H2 TIP3 7641 31.946 69.095 5.460 1.00 0.00 WT3 H ATOM 45598 OH2 TIP3 7642 80.949 44.224 -13.263 1.00 0.00 WT3 O ATOM 45599 H1 TIP3 7642 80.095 43.830 -13.443 1.00 0.00 WT3 H ATOM 45600 H2 TIP3 7642 80.748 45.119 -12.989 1.00 0.00 WT3 H ATOM 45601 OH2 TIP3 7643 52.653 74.881 -0.411 1.00 0.00 WT3 O ATOM 45602 H1 TIP3 7643 52.417 75.016 0.506 1.00 0.00 WT3 H ATOM 45603 H2 TIP3 7643 52.953 73.972 -0.450 1.00 0.00 WT3 H ATOM 45604 OH2 TIP3 7644 33.051 56.191 9.834 1.00 0.00 WT3 O ATOM 45605 H1 TIP3 7644 33.200 56.032 8.902 1.00 0.00 WT3 H ATOM 45606 H2 TIP3 7644 33.372 57.081 9.980 1.00 0.00 WT3 H ATOM 45607 OH2 TIP3 7645 74.570 85.954 63.731 1.00 0.00 WT3 O ATOM 45608 H1 TIP3 7645 75.315 86.541 63.860 1.00 0.00 WT3 H ATOM 45609 H2 TIP3 7645 74.259 85.762 64.615 1.00 0.00 WT3 H ATOM 45610 OH2 TIP3 7646 56.182 84.034 26.248 1.00 0.00 WT3 O ATOM 45611 H1 TIP3 7646 56.653 83.429 25.675 1.00 0.00 WT3 H ATOM 45612 H2 TIP3 7646 55.693 84.600 25.651 1.00 0.00 WT3 H ATOM 45613 OH2 TIP3 7647 81.568 20.857 3.040 1.00 0.00 WT3 O ATOM 45614 H1 TIP3 7647 81.523 21.792 3.244 1.00 0.00 WT3 H ATOM 45615 H2 TIP3 7647 82.377 20.560 3.458 1.00 0.00 WT3 H ATOM 45616 OH2 TIP3 7649 77.871 50.349 6.129 1.00 0.00 WT3 O ATOM 45617 H1 TIP3 7649 77.194 50.249 6.798 1.00 0.00 WT3 H ATOM 45618 H2 TIP3 7649 77.522 51.009 5.530 1.00 0.00 WT3 H ATOM 45619 OH2 TIP3 7650 64.912 87.183 -19.088 1.00 0.00 WT3 O ATOM 45620 H1 TIP3 7650 65.281 87.331 -19.959 1.00 0.00 WT3 H ATOM 45621 H2 TIP3 7650 65.665 86.951 -18.544 1.00 0.00 WT3 H ATOM 45622 OH2 TIP3 7651 52.635 81.802 45.001 1.00 0.00 WT3 O ATOM 45623 H1 TIP3 7651 53.197 82.493 44.650 1.00 0.00 WT3 H ATOM 45624 H2 TIP3 7651 52.751 81.068 44.398 1.00 0.00 WT3 H ATOM 45625 OH2 TIP3 7652 24.089 53.640 63.579 1.00 0.00 WT3 O ATOM 45626 H1 TIP3 7652 24.223 53.099 64.358 1.00 0.00 WT3 H ATOM 45627 H2 TIP3 7652 23.247 54.070 63.727 1.00 0.00 WT3 H ATOM 45628 OH2 TIP3 7653 46.603 80.215 4.494 1.00 0.00 WT3 O ATOM 45629 H1 TIP3 7653 47.451 80.655 4.564 1.00 0.00 WT3 H ATOM 45630 H2 TIP3 7653 46.652 79.731 3.669 1.00 0.00 WT3 H ATOM 45631 OH2 TIP3 7654 56.375 24.271 -3.063 1.00 0.00 WT3 O ATOM 45632 H1 TIP3 7654 55.993 24.634 -2.265 1.00 0.00 WT3 H ATOM 45633 H2 TIP3 7654 55.843 24.636 -3.771 1.00 0.00 WT3 H ATOM 45634 OH2 TIP3 7656 89.490 63.085 4.042 1.00 0.00 WT3 O ATOM 45635 H1 TIP3 7656 90.000 63.529 3.365 1.00 0.00 WT3 H ATOM 45636 H2 TIP3 7656 89.981 62.285 4.227 1.00 0.00 WT3 H ATOM 45637 OH2 TIP3 7657 50.894 94.790 30.189 1.00 0.00 WT3 O ATOM 45638 H1 TIP3 7657 50.178 94.984 29.584 1.00 0.00 WT3 H ATOM 45639 H2 TIP3 7657 51.682 95.074 29.726 1.00 0.00 WT3 H ATOM 45640 OH2 TIP3 7658 58.837 76.328 -11.166 1.00 0.00 WT3 O ATOM 45641 H1 TIP3 7658 59.726 76.230 -11.508 1.00 0.00 WT3 H ATOM 45642 H2 TIP3 7658 58.957 76.531 -10.239 1.00 0.00 WT3 H ATOM 45643 OH2 TIP3 7659 43.361 2.574 40.593 1.00 0.00 WT3 O ATOM 45644 H1 TIP3 7659 42.947 2.018 41.253 1.00 0.00 WT3 H ATOM 45645 H2 TIP3 7659 43.906 3.178 41.097 1.00 0.00 WT3 H ATOM 45646 OH2 TIP3 7661 25.738 63.441 -1.524 1.00 0.00 WT3 O ATOM 45647 H1 TIP3 7661 26.362 64.065 -1.152 1.00 0.00 WT3 H ATOM 45648 H2 TIP3 7661 25.604 62.794 -0.832 1.00 0.00 WT3 H ATOM 45649 OH2 TIP3 7663 61.688 67.692 60.054 1.00 0.00 WT3 O ATOM 45650 H1 TIP3 7663 61.840 67.281 59.203 1.00 0.00 WT3 H ATOM 45651 H2 TIP3 7663 61.109 67.086 60.515 1.00 0.00 WT3 H ATOM 45652 OH2 TIP3 7664 52.376 89.924 1.767 1.00 0.00 WT3 O ATOM 45653 H1 TIP3 7664 53.092 90.009 2.396 1.00 0.00 WT3 H ATOM 45654 H2 TIP3 7664 52.811 89.836 0.918 1.00 0.00 WT3 H ATOM 45655 OH2 TIP3 7665 64.938 65.026 -14.257 1.00 0.00 WT3 O ATOM 45656 H1 TIP3 7665 65.053 64.673 -13.375 1.00 0.00 WT3 H ATOM 45657 H2 TIP3 7665 64.225 65.660 -14.171 1.00 0.00 WT3 H ATOM 45658 OH2 TIP3 7666 88.658 0.343 34.308 1.00 0.00 WT3 O ATOM 45659 H1 TIP3 7666 87.905 0.601 34.840 1.00 0.00 WT3 H ATOM 45660 H2 TIP3 7666 88.331 0.355 33.408 1.00 0.00 WT3 H ATOM 45661 OH2 TIP3 7668 66.137 12.014 2.816 1.00 0.00 WT3 O ATOM 45662 H1 TIP3 7668 65.261 12.338 3.025 1.00 0.00 WT3 H ATOM 45663 H2 TIP3 7668 66.649 12.803 2.639 1.00 0.00 WT3 H ATOM 45664 OH2 TIP3 7669 44.176 36.405 60.162 1.00 0.00 WT3 O ATOM 45665 H1 TIP3 7669 45.058 36.034 60.150 1.00 0.00 WT3 H ATOM 45666 H2 TIP3 7669 44.253 37.222 59.669 1.00 0.00 WT3 H ATOM 45667 OH2 TIP3 7670 66.796 31.800 -12.496 1.00 0.00 WT3 O ATOM 45668 H1 TIP3 7670 65.941 31.835 -12.066 1.00 0.00 WT3 H ATOM 45669 H2 TIP3 7670 67.379 32.283 -11.911 1.00 0.00 WT3 H ATOM 45670 OH2 TIP3 7671 66.346 41.264 10.144 1.00 0.00 WT3 O ATOM 45671 H1 TIP3 7671 66.085 40.928 11.001 1.00 0.00 WT3 H ATOM 45672 H2 TIP3 7671 65.749 41.994 9.980 1.00 0.00 WT3 H ATOM 45673 OH2 TIP3 7674 31.209 63.363 -15.278 1.00 0.00 WT3 O ATOM 45674 H1 TIP3 7674 31.992 63.835 -14.996 1.00 0.00 WT3 H ATOM 45675 H2 TIP3 7674 31.342 62.468 -14.964 1.00 0.00 WT3 H ATOM 45676 OH2 TIP3 7675 71.470 81.263 19.934 1.00 0.00 WT3 O ATOM 45677 H1 TIP3 7675 71.707 80.440 19.507 1.00 0.00 WT3 H ATOM 45678 H2 TIP3 7675 70.516 81.227 20.010 1.00 0.00 WT3 H ATOM 45679 OH2 TIP3 7676 79.103 40.328 42.521 1.00 0.00 WT3 O ATOM 45680 H1 TIP3 7676 78.594 40.751 43.213 1.00 0.00 WT3 H ATOM 45681 H2 TIP3 7676 78.622 39.523 42.327 1.00 0.00 WT3 H ATOM 45682 OH2 TIP3 7677 25.635 69.221 62.387 1.00 0.00 WT3 O ATOM 45683 H1 TIP3 7677 26.150 69.859 61.893 1.00 0.00 WT3 H ATOM 45684 H2 TIP3 7677 25.173 68.716 61.718 1.00 0.00 WT3 H ATOM 45685 OH2 TIP3 7678 39.842 94.194 35.522 1.00 0.00 WT3 O ATOM 45686 H1 TIP3 7678 39.009 94.516 35.177 1.00 0.00 WT3 H ATOM 45687 H2 TIP3 7678 39.947 93.328 35.127 1.00 0.00 WT3 H ATOM 45688 OH2 TIP3 7679 71.550 3.371 10.151 1.00 0.00 WT3 O ATOM 45689 H1 TIP3 7679 71.946 3.899 10.845 1.00 0.00 WT3 H ATOM 45690 H2 TIP3 7679 72.051 2.555 10.155 1.00 0.00 WT3 H ATOM 45691 OH2 TIP3 7680 30.656 59.956 2.367 1.00 0.00 WT3 O ATOM 45692 H1 TIP3 7680 31.207 60.248 3.093 1.00 0.00 WT3 H ATOM 45693 H2 TIP3 7680 30.162 59.217 2.723 1.00 0.00 WT3 H ATOM 45694 OH2 TIP3 7681 70.668 54.231 -16.441 1.00 0.00 WT3 O ATOM 45695 H1 TIP3 7681 71.395 54.806 -16.203 1.00 0.00 WT3 H ATOM 45696 H2 TIP3 7681 70.297 53.954 -15.603 1.00 0.00 WT3 H ATOM 45697 OH2 TIP3 7682 62.602 77.936 -7.119 1.00 0.00 WT3 O ATOM 45698 H1 TIP3 7682 62.495 78.021 -6.172 1.00 0.00 WT3 H ATOM 45699 H2 TIP3 7682 63.435 78.370 -7.306 1.00 0.00 WT3 H ATOM 45700 OH2 TIP3 7683 78.711 28.444 27.864 1.00 0.00 WT3 O ATOM 45701 H1 TIP3 7683 78.598 28.460 26.914 1.00 0.00 WT3 H ATOM 45702 H2 TIP3 7683 79.628 28.682 28.002 1.00 0.00 WT3 H ATOM 45703 OH2 TIP3 7684 89.910 57.292 -3.358 1.00 0.00 WT3 O ATOM 45704 H1 TIP3 7684 90.198 56.382 -3.427 1.00 0.00 WT3 H ATOM 45705 H2 TIP3 7684 90.721 57.795 -3.289 1.00 0.00 WT3 H ATOM 45706 OH2 TIP3 7685 59.863 93.760 32.600 1.00 0.00 WT3 O ATOM 45707 H1 TIP3 7685 59.175 93.738 33.265 1.00 0.00 WT3 H ATOM 45708 H2 TIP3 7685 60.164 92.854 32.536 1.00 0.00 WT3 H ATOM 45709 OH2 TIP3 7686 82.869 1.058 -11.006 1.00 0.00 WT3 O ATOM 45710 H1 TIP3 7686 82.399 0.713 -10.247 1.00 0.00 WT3 H ATOM 45711 H2 TIP3 7686 83.654 0.514 -11.070 1.00 0.00 WT3 H ATOM 45712 OH2 TIP3 7690 87.661 92.430 66.660 1.00 0.00 WT3 O ATOM 45713 H1 TIP3 7690 87.327 92.861 67.447 1.00 0.00 WT3 H ATOM 45714 H2 TIP3 7690 87.617 93.103 65.981 1.00 0.00 WT3 H ATOM 45715 OH2 TIP3 7691 82.754 86.847 -13.783 1.00 0.00 WT3 O ATOM 45716 H1 TIP3 7691 82.706 86.168 -13.110 1.00 0.00 WT3 H ATOM 45717 H2 TIP3 7691 83.687 86.923 -13.981 1.00 0.00 WT3 H ATOM 45718 OH2 TIP3 7694 76.888 84.707 32.982 1.00 0.00 WT3 O ATOM 45719 H1 TIP3 7694 77.423 84.353 32.271 1.00 0.00 WT3 H ATOM 45720 H2 TIP3 7694 77.086 85.644 32.987 1.00 0.00 WT3 H ATOM 45721 OH2 TIP3 7695 68.141 34.631 44.803 1.00 0.00 WT3 O ATOM 45722 H1 TIP3 7695 67.510 34.421 45.492 1.00 0.00 WT3 H ATOM 45723 H2 TIP3 7695 68.966 34.773 45.268 1.00 0.00 WT3 H ATOM 45724 OH2 TIP3 7696 22.520 84.844 -5.256 1.00 0.00 WT3 O ATOM 45725 H1 TIP3 7696 23.368 85.197 -4.985 1.00 0.00 WT3 H ATOM 45726 H2 TIP3 7696 22.444 84.015 -4.784 1.00 0.00 WT3 H ATOM 45727 OH2 TIP3 7697 22.999 96.272 30.873 1.00 0.00 WT3 O ATOM 45728 H1 TIP3 7697 23.256 97.150 31.155 1.00 0.00 WT3 H ATOM 45729 H2 TIP3 7697 22.928 95.770 31.684 1.00 0.00 WT3 H ATOM 45730 OH2 TIP3 7698 59.588 41.447 1.034 1.00 0.00 WT3 O ATOM 45731 H1 TIP3 7698 59.364 41.936 1.825 1.00 0.00 WT3 H ATOM 45732 H2 TIP3 7698 59.028 41.820 0.354 1.00 0.00 WT3 H ATOM 45733 OH2 TIP3 7700 39.139 78.212 -11.164 1.00 0.00 WT3 O ATOM 45734 H1 TIP3 7700 39.518 77.407 -10.810 1.00 0.00 WT3 H ATOM 45735 H2 TIP3 7700 38.289 78.288 -10.730 1.00 0.00 WT3 H ATOM 45736 OH2 TIP3 7701 35.032 52.959 -2.341 1.00 0.00 WT3 O ATOM 45737 H1 TIP3 7701 35.667 53.024 -1.628 1.00 0.00 WT3 H ATOM 45738 H2 TIP3 7701 34.299 53.507 -2.060 1.00 0.00 WT3 H ATOM 45739 OH2 TIP3 7702 51.004 90.623 15.705 1.00 0.00 WT3 O ATOM 45740 H1 TIP3 7702 51.839 91.071 15.841 1.00 0.00 WT3 H ATOM 45741 H2 TIP3 7702 51.248 89.734 15.448 1.00 0.00 WT3 H ATOM 45742 OH2 TIP3 7704 86.272 77.187 5.025 1.00 0.00 WT3 O ATOM 45743 H1 TIP3 7704 86.491 77.260 5.954 1.00 0.00 WT3 H ATOM 45744 H2 TIP3 7704 86.414 76.263 4.818 1.00 0.00 WT3 H ATOM 45745 OH2 TIP3 7705 42.619 66.868 52.336 1.00 0.00 WT3 O ATOM 45746 H1 TIP3 7705 42.402 67.325 53.148 1.00 0.00 WT3 H ATOM 45747 H2 TIP3 7705 42.577 67.545 51.661 1.00 0.00 WT3 H ATOM 45748 OH2 TIP3 7706 52.621 78.805 14.399 1.00 0.00 WT3 O ATOM 45749 H1 TIP3 7706 52.464 78.854 15.342 1.00 0.00 WT3 H ATOM 45750 H2 TIP3 7706 53.393 79.352 14.256 1.00 0.00 WT3 H ATOM 45751 OH2 TIP3 7707 31.783 95.039 -17.302 1.00 0.00 WT3 O ATOM 45752 H1 TIP3 7707 31.841 95.482 -16.455 1.00 0.00 WT3 H ATOM 45753 H2 TIP3 7707 32.058 94.140 -17.121 1.00 0.00 WT3 H ATOM 45754 OH2 TIP3 7708 66.836 6.548 61.626 1.00 0.00 WT3 O ATOM 45755 H1 TIP3 7708 67.318 5.822 62.024 1.00 0.00 WT3 H ATOM 45756 H2 TIP3 7708 66.399 6.977 62.361 1.00 0.00 WT3 H ATOM 45757 OH2 TIP3 7709 83.229 20.446 43.921 1.00 0.00 WT3 O ATOM 45758 H1 TIP3 7709 82.457 21.001 44.026 1.00 0.00 WT3 H ATOM 45759 H2 TIP3 7709 83.593 20.700 43.073 1.00 0.00 WT3 H ATOM 45760 OH2 TIP3 7710 81.024 90.045 12.663 1.00 0.00 WT3 O ATOM 45761 H1 TIP3 7710 80.403 89.326 12.545 1.00 0.00 WT3 H ATOM 45762 H2 TIP3 7710 81.881 89.619 12.691 1.00 0.00 WT3 H ATOM 45763 OH2 TIP3 7712 68.818 12.354 -4.768 1.00 0.00 WT3 O ATOM 45764 H1 TIP3 7712 68.133 12.978 -4.529 1.00 0.00 WT3 H ATOM 45765 H2 TIP3 7712 69.327 12.238 -3.965 1.00 0.00 WT3 H ATOM 45766 OH2 TIP3 7713 55.477 19.466 55.191 1.00 0.00 WT3 O ATOM 45767 H1 TIP3 7713 55.613 19.838 56.063 1.00 0.00 WT3 H ATOM 45768 H2 TIP3 7713 55.006 20.147 54.711 1.00 0.00 WT3 H ATOM 45769 OH2 TIP3 7714 30.220 94.336 61.125 1.00 0.00 WT3 O ATOM 45770 H1 TIP3 7714 30.193 95.271 61.329 1.00 0.00 WT3 H ATOM 45771 H2 TIP3 7714 31.152 94.116 61.136 1.00 0.00 WT3 H ATOM 45772 OH2 TIP3 7716 50.711 16.300 0.841 1.00 0.00 WT3 O ATOM 45773 H1 TIP3 7716 51.650 16.118 0.881 1.00 0.00 WT3 H ATOM 45774 H2 TIP3 7716 50.606 17.122 1.319 1.00 0.00 WT3 H ATOM 45775 OH2 TIP3 7717 22.819 17.572 -10.950 1.00 0.00 WT3 O ATOM 45776 H1 TIP3 7717 22.753 18.014 -10.104 1.00 0.00 WT3 H ATOM 45777 H2 TIP3 7717 22.426 18.185 -11.572 1.00 0.00 WT3 H ATOM 45778 OH2 TIP3 7721 39.096 1.780 23.795 1.00 0.00 WT3 O ATOM 45779 H1 TIP3 7721 39.368 2.637 23.467 1.00 0.00 WT3 H ATOM 45780 H2 TIP3 7721 38.295 1.581 23.309 1.00 0.00 WT3 H ATOM 45781 OH2 TIP3 7722 78.389 14.254 6.100 1.00 0.00 WT3 O ATOM 45782 H1 TIP3 7722 77.619 14.775 5.873 1.00 0.00 WT3 H ATOM 45783 H2 TIP3 7722 78.235 13.981 7.004 1.00 0.00 WT3 H ATOM 45784 OH2 TIP3 7723 48.049 77.021 57.073 1.00 0.00 WT3 O ATOM 45785 H1 TIP3 7723 48.750 76.570 56.603 1.00 0.00 WT3 H ATOM 45786 H2 TIP3 7723 48.157 77.943 56.836 1.00 0.00 WT3 H ATOM 45787 OH2 TIP3 7724 28.168 85.074 59.737 1.00 0.00 WT3 O ATOM 45788 H1 TIP3 7724 28.410 84.149 59.686 1.00 0.00 WT3 H ATOM 45789 H2 TIP3 7724 27.799 85.273 58.877 1.00 0.00 WT3 H ATOM 45790 OH2 TIP3 7733 33.508 22.646 27.791 1.00 0.00 WT3 O ATOM 45791 H1 TIP3 7733 33.396 23.163 26.993 1.00 0.00 WT3 H ATOM 45792 H2 TIP3 7733 34.456 22.581 27.904 1.00 0.00 WT3 H ATOM 45793 OH2 TIP3 7734 35.781 66.795 27.657 1.00 0.00 WT3 O ATOM 45794 H1 TIP3 7734 36.500 66.778 27.026 1.00 0.00 WT3 H ATOM 45795 H2 TIP3 7734 36.210 66.865 28.510 1.00 0.00 WT3 H ATOM 45796 OH2 TIP3 7735 75.201 76.516 9.181 1.00 0.00 WT3 O ATOM 45797 H1 TIP3 7735 74.710 76.236 9.954 1.00 0.00 WT3 H ATOM 45798 H2 TIP3 7735 75.733 75.756 8.947 1.00 0.00 WT3 H ATOM 45799 OH2 TIP3 7739 73.257 2.413 50.061 1.00 0.00 WT3 O ATOM 45800 H1 TIP3 7739 74.173 2.138 50.078 1.00 0.00 WT3 H ATOM 45801 H2 TIP3 7739 73.144 2.819 49.201 1.00 0.00 WT3 H ATOM 45802 OH2 TIP3 7743 31.893 78.594 25.518 1.00 0.00 WT3 O ATOM 45803 H1 TIP3 7743 30.938 78.547 25.477 1.00 0.00 WT3 H ATOM 45804 H2 TIP3 7743 32.105 78.400 26.431 1.00 0.00 WT3 H ATOM 45805 OH2 TIP3 7744 52.438 53.081 20.859 1.00 0.00 WT3 O ATOM 45806 H1 TIP3 7744 52.141 52.601 20.086 1.00 0.00 WT3 H ATOM 45807 H2 TIP3 7744 53.291 53.435 20.609 1.00 0.00 WT3 H ATOM 45808 OH2 TIP3 7757 37.765 69.944 29.885 1.00 0.00 WT3 O ATOM 45809 H1 TIP3 7757 37.375 69.296 29.299 1.00 0.00 WT3 H ATOM 45810 H2 TIP3 7757 38.402 69.449 30.400 1.00 0.00 WT3 H ATOM 45811 OH2 TIP3 7791 56.104 71.061 62.937 1.00 0.00 WT3 O ATOM 45812 H1 TIP3 7791 55.396 71.623 63.251 1.00 0.00 WT3 H ATOM 45813 H2 TIP3 7791 55.662 70.281 62.603 1.00 0.00 WT3 H ATOM 45814 OH2 TIP3 7855 88.204 5.462 50.706 1.00 0.00 WT3 O ATOM 45815 H1 TIP3 7855 88.254 6.403 50.540 1.00 0.00 WT3 H ATOM 45816 H2 TIP3 7855 89.096 5.145 50.566 1.00 0.00 WT3 H ATOM 45817 OH2 TIP3 7867 56.410 90.002 51.018 1.00 0.00 WT3 O ATOM 45818 H1 TIP3 7867 57.241 90.426 51.232 1.00 0.00 WT3 H ATOM 45819 H2 TIP3 7867 56.353 89.266 51.628 1.00 0.00 WT3 H ATOM 45820 OH2 TIP3 7869 58.055 65.401 28.106 1.00 0.00 WT3 O ATOM 45821 H1 TIP3 7869 57.750 64.999 28.919 1.00 0.00 WT3 H ATOM 45822 H2 TIP3 7869 58.335 64.664 27.563 1.00 0.00 WT3 H ATOM 45823 OH2 TIP3 7872 54.425 33.352 1.351 1.00 0.00 WT3 O ATOM 45824 H1 TIP3 7872 54.053 33.674 2.171 1.00 0.00 WT3 H ATOM 45825 H2 TIP3 7872 55.324 33.109 1.574 1.00 0.00 WT3 H ATOM 45826 OH2 TIP3 7876 75.364 5.276 13.085 1.00 0.00 WT3 O ATOM 45827 H1 TIP3 7876 75.242 5.958 12.425 1.00 0.00 WT3 H ATOM 45828 H2 TIP3 7876 76.313 5.179 13.159 1.00 0.00 WT3 H ATOM 45829 OH2 TIP3 7883 60.189 44.028 -12.164 1.00 0.00 WT3 O ATOM 45830 H1 TIP3 7883 60.123 43.206 -11.679 1.00 0.00 WT3 H ATOM 45831 H2 TIP3 7883 59.492 44.576 -11.804 1.00 0.00 WT3 H ATOM 45832 OH2 TIP3 7886 67.452 67.341 30.367 1.00 0.00 WT3 O ATOM 45833 H1 TIP3 7886 67.399 66.535 29.853 1.00 0.00 WT3 H ATOM 45834 H2 TIP3 7886 66.707 67.864 30.071 1.00 0.00 WT3 H ATOM 45835 OH2 TIP3 7891 84.331 90.050 40.606 1.00 0.00 WT3 O ATOM 45836 H1 TIP3 7891 85.178 90.109 40.164 1.00 0.00 WT3 H ATOM 45837 H2 TIP3 7891 83.845 90.815 40.297 1.00 0.00 WT3 H ATOM 45838 OH2 TIP3 7894 49.122 26.064 39.524 1.00 0.00 WT3 O ATOM 45839 H1 TIP3 7894 48.922 26.664 38.806 1.00 0.00 WT3 H ATOM 45840 H2 TIP3 7894 48.318 25.558 39.646 1.00 0.00 WT3 H ATOM 45841 OH2 TIP3 7895 78.140 89.925 -3.564 1.00 0.00 WT3 O ATOM 45842 H1 TIP3 7895 78.510 90.170 -2.716 1.00 0.00 WT3 H ATOM 45843 H2 TIP3 7895 78.073 90.751 -4.044 1.00 0.00 WT3 H ATOM 45844 OH2 TIP3 7896 40.599 53.265 0.417 1.00 0.00 WT3 O ATOM 45845 H1 TIP3 7896 41.330 53.175 -0.195 1.00 0.00 WT3 H ATOM 45846 H2 TIP3 7896 40.050 53.950 0.035 1.00 0.00 WT3 H ATOM 45847 OH2 TIP3 7897 37.279 90.168 49.321 1.00 0.00 WT3 O ATOM 45848 H1 TIP3 7897 36.835 91.016 49.287 1.00 0.00 WT3 H ATOM 45849 H2 TIP3 7897 38.168 90.375 49.608 1.00 0.00 WT3 H ATOM 45850 OH2 TIP3 7901 77.269 74.836 -2.021 1.00 0.00 WT3 O ATOM 45851 H1 TIP3 7901 77.034 74.395 -2.837 1.00 0.00 WT3 H ATOM 45852 H2 TIP3 7901 76.431 75.102 -1.642 1.00 0.00 WT3 H ATOM 45853 OH2 TIP3 7908 84.555 31.780 7.745 1.00 0.00 WT3 O ATOM 45854 H1 TIP3 7908 85.078 31.318 7.090 1.00 0.00 WT3 H ATOM 45855 H2 TIP3 7908 84.557 32.692 7.454 1.00 0.00 WT3 H ATOM 45856 OH2 TIP3 7915 80.750 46.851 40.839 1.00 0.00 WT3 O ATOM 45857 H1 TIP3 7915 81.227 46.585 41.625 1.00 0.00 WT3 H ATOM 45858 H2 TIP3 7915 79.926 46.366 40.882 1.00 0.00 WT3 H ATOM 45859 OH2 TIP3 7922 42.074 94.086 56.173 1.00 0.00 WT3 O ATOM 45860 H1 TIP3 7922 41.183 93.942 55.855 1.00 0.00 WT3 H ATOM 45861 H2 TIP3 7922 42.149 95.037 56.254 1.00 0.00 WT3 H ATOM 45862 OH2 TIP3 7923 62.796 68.810 -1.172 1.00 0.00 WT3 O ATOM 45863 H1 TIP3 7923 62.009 68.288 -1.332 1.00 0.00 WT3 H ATOM 45864 H2 TIP3 7923 62.465 69.677 -0.939 1.00 0.00 WT3 H ATOM 45865 OH2 TIP3 7924 77.068 38.452 42.378 1.00 0.00 WT3 O ATOM 45866 H1 TIP3 7924 76.727 37.795 41.771 1.00 0.00 WT3 H ATOM 45867 H2 TIP3 7924 76.754 38.170 43.237 1.00 0.00 WT3 H ATOM 45868 OH2 TIP3 7926 64.400 0.646 13.415 1.00 0.00 WT3 O ATOM 45869 H1 TIP3 7926 64.294 -0.188 13.872 1.00 0.00 WT3 H ATOM 45870 H2 TIP3 7926 63.644 1.166 13.687 1.00 0.00 WT3 H ATOM 45871 OH2 TIP3 7927 50.475 76.807 4.028 1.00 0.00 WT3 O ATOM 45872 H1 TIP3 7927 50.806 77.132 4.865 1.00 0.00 WT3 H ATOM 45873 H2 TIP3 7927 50.105 75.948 4.234 1.00 0.00 WT3 H ATOM 45874 OH2 TIP3 7929 29.471 85.176 3.087 1.00 0.00 WT3 O ATOM 45875 H1 TIP3 7929 30.393 85.121 3.339 1.00 0.00 WT3 H ATOM 45876 H2 TIP3 7929 29.371 84.517 2.400 1.00 0.00 WT3 H ATOM 45877 OH2 TIP3 7930 87.615 80.927 18.385 1.00 0.00 WT3 O ATOM 45878 H1 TIP3 7930 88.252 80.821 19.093 1.00 0.00 WT3 H ATOM 45879 H2 TIP3 7930 86.840 80.454 18.687 1.00 0.00 WT3 H ATOM 45880 OH2 TIP3 7931 65.043 32.102 -19.234 1.00 0.00 WT3 O ATOM 45881 H1 TIP3 7931 64.947 31.751 -20.119 1.00 0.00 WT3 H ATOM 45882 H2 TIP3 7931 64.662 31.432 -18.667 1.00 0.00 WT3 H ATOM 45883 OH2 TIP3 7932 36.486 14.383 14.046 1.00 0.00 WT3 O ATOM 45884 H1 TIP3 7932 36.617 13.925 14.876 1.00 0.00 WT3 H ATOM 45885 H2 TIP3 7932 37.148 15.074 14.046 1.00 0.00 WT3 H ATOM 45886 OH2 TIP3 7933 77.659 24.640 32.521 1.00 0.00 WT3 O ATOM 45887 H1 TIP3 7933 78.480 25.019 32.207 1.00 0.00 WT3 H ATOM 45888 H2 TIP3 7933 77.029 25.359 32.471 1.00 0.00 WT3 H ATOM 45889 OH2 TIP3 7937 72.320 86.553 43.796 1.00 0.00 WT3 O ATOM 45890 H1 TIP3 7937 71.406 86.736 44.013 1.00 0.00 WT3 H ATOM 45891 H2 TIP3 7937 72.811 87.265 44.205 1.00 0.00 WT3 H ATOM 45892 OH2 TIP3 7938 40.938 14.546 48.201 1.00 0.00 WT3 O ATOM 45893 H1 TIP3 7938 40.197 13.940 48.212 1.00 0.00 WT3 H ATOM 45894 H2 TIP3 7938 40.668 15.246 47.608 1.00 0.00 WT3 H ATOM 45895 OH2 TIP3 7939 83.468 4.225 41.432 1.00 0.00 WT3 O ATOM 45896 H1 TIP3 7939 83.743 4.783 40.705 1.00 0.00 WT3 H ATOM 45897 H2 TIP3 7939 84.161 4.324 42.086 1.00 0.00 WT3 H ATOM 45898 OH2 TIP3 7941 39.090 73.231 -18.893 1.00 0.00 WT3 O ATOM 45899 H1 TIP3 7941 38.947 73.892 -19.571 1.00 0.00 WT3 H ATOM 45900 H2 TIP3 7941 38.622 72.458 -19.208 1.00 0.00 WT3 H ATOM 45901 OH2 TIP3 7942 48.800 66.695 5.807 1.00 0.00 WT3 O ATOM 45902 H1 TIP3 7942 49.043 66.341 6.662 1.00 0.00 WT3 H ATOM 45903 H2 TIP3 7942 49.585 66.588 5.271 1.00 0.00 WT3 H ATOM 45904 OH2 TIP3 7943 50.089 79.918 6.227 1.00 0.00 WT3 O ATOM 45905 H1 TIP3 7943 50.516 80.325 6.981 1.00 0.00 WT3 H ATOM 45906 H2 TIP3 7943 50.458 79.035 6.191 1.00 0.00 WT3 H ATOM 45907 OH2 TIP3 7945 76.957 61.179 13.427 1.00 0.00 WT3 O ATOM 45908 H1 TIP3 7945 77.048 60.585 14.172 1.00 0.00 WT3 H ATOM 45909 H2 TIP3 7945 76.261 60.792 12.895 1.00 0.00 WT3 H ATOM 45910 OH2 TIP3 7947 66.402 92.429 26.818 1.00 0.00 WT3 O ATOM 45911 H1 TIP3 7947 67.150 91.838 26.731 1.00 0.00 WT3 H ATOM 45912 H2 TIP3 7947 66.761 93.212 27.235 1.00 0.00 WT3 H ATOM 45913 OH2 TIP3 7948 83.993 40.459 -16.482 1.00 0.00 WT3 O ATOM 45914 H1 TIP3 7948 83.391 41.192 -16.357 1.00 0.00 WT3 H ATOM 45915 H2 TIP3 7948 84.173 40.143 -15.596 1.00 0.00 WT3 H ATOM 45916 OH2 TIP3 7949 55.031 24.958 19.196 1.00 0.00 WT3 O ATOM 45917 H1 TIP3 7949 55.364 24.861 20.088 1.00 0.00 WT3 H ATOM 45918 H2 TIP3 7949 54.252 25.505 19.289 1.00 0.00 WT3 H ATOM 45919 OH2 TIP3 7950 74.982 67.521 32.413 1.00 0.00 WT3 O ATOM 45920 H1 TIP3 7950 74.782 66.868 31.742 1.00 0.00 WT3 H ATOM 45921 H2 TIP3 7950 75.529 67.055 33.045 1.00 0.00 WT3 H ATOM 45922 OH2 TIP3 7951 80.248 54.597 12.299 1.00 0.00 WT3 O ATOM 45923 H1 TIP3 7951 80.388 53.847 12.876 1.00 0.00 WT3 H ATOM 45924 H2 TIP3 7951 79.394 54.943 12.557 1.00 0.00 WT3 H ATOM 45925 OH2 TIP3 7952 50.594 59.106 10.781 1.00 0.00 WT3 O ATOM 45926 H1 TIP3 7952 50.531 59.711 11.520 1.00 0.00 WT3 H ATOM 45927 H2 TIP3 7952 51.510 58.830 10.774 1.00 0.00 WT3 H ATOM 45928 OH2 TIP3 7953 22.827 44.652 64.665 1.00 0.00 WT3 O ATOM 45929 H1 TIP3 7953 22.055 45.148 64.939 1.00 0.00 WT3 H ATOM 45930 H2 TIP3 7953 22.719 44.544 63.720 1.00 0.00 WT3 H ATOM 45931 OH2 TIP3 7955 68.067 5.084 8.332 1.00 0.00 WT3 O ATOM 45932 H1 TIP3 7955 67.547 5.750 8.781 1.00 0.00 WT3 H ATOM 45933 H2 TIP3 7955 68.479 5.552 7.605 1.00 0.00 WT3 H ATOM 45934 OH2 TIP3 7957 47.836 93.467 34.640 1.00 0.00 WT3 O ATOM 45935 H1 TIP3 7957 47.651 92.529 34.681 1.00 0.00 WT3 H ATOM 45936 H2 TIP3 7957 48.225 93.597 33.775 1.00 0.00 WT3 H ATOM 45937 OH2 TIP3 7958 68.387 91.319 56.331 1.00 0.00 WT3 O ATOM 45938 H1 TIP3 7958 67.656 90.715 56.464 1.00 0.00 WT3 H ATOM 45939 H2 TIP3 7958 68.857 91.316 57.165 1.00 0.00 WT3 H ATOM 45940 OH2 TIP3 7960 34.854 21.991 -15.564 1.00 0.00 WT3 O ATOM 45941 H1 TIP3 7960 34.047 22.136 -15.070 1.00 0.00 WT3 H ATOM 45942 H2 TIP3 7960 34.661 22.323 -16.441 1.00 0.00 WT3 H ATOM 45943 OH2 TIP3 7961 41.152 15.229 -18.345 1.00 0.00 WT3 O ATOM 45944 H1 TIP3 7961 41.289 15.489 -17.434 1.00 0.00 WT3 H ATOM 45945 H2 TIP3 7961 42.019 14.963 -18.651 1.00 0.00 WT3 H ATOM 45946 OH2 TIP3 7962 25.749 58.136 57.400 1.00 0.00 WT3 O ATOM 45947 H1 TIP3 7962 25.515 58.977 57.794 1.00 0.00 WT3 H ATOM 45948 H2 TIP3 7962 25.571 57.493 58.086 1.00 0.00 WT3 H ATOM 45949 OH2 TIP3 7963 43.422 42.005 1.001 1.00 0.00 WT3 O ATOM 45950 H1 TIP3 7963 43.346 42.950 0.875 1.00 0.00 WT3 H ATOM 45951 H2 TIP3 7963 42.994 41.840 1.842 1.00 0.00 WT3 H ATOM 45952 OH2 TIP3 7964 89.506 7.892 0.478 1.00 0.00 WT3 O ATOM 45953 H1 TIP3 7964 89.891 8.302 -0.297 1.00 0.00 WT3 H ATOM 45954 H2 TIP3 7964 88.776 7.375 0.138 1.00 0.00 WT3 H ATOM 45955 OH2 TIP3 7965 22.105 53.769 -0.854 1.00 0.00 WT3 O ATOM 45956 H1 TIP3 7965 22.442 53.285 -1.608 1.00 0.00 WT3 H ATOM 45957 H2 TIP3 7965 21.288 53.324 -0.629 1.00 0.00 WT3 H ATOM 45958 OH2 TIP3 7966 76.034 43.393 16.641 1.00 0.00 WT3 O ATOM 45959 H1 TIP3 7966 76.461 43.499 17.490 1.00 0.00 WT3 H ATOM 45960 H2 TIP3 7966 75.215 43.882 16.721 1.00 0.00 WT3 H ATOM 45961 OH2 TIP3 7967 53.501 94.967 39.139 1.00 0.00 WT3 O ATOM 45962 H1 TIP3 7967 53.768 94.075 38.919 1.00 0.00 WT3 H ATOM 45963 H2 TIP3 7967 54.280 95.498 38.977 1.00 0.00 WT3 H ATOM 45964 OH2 TIP3 7969 51.955 96.153 23.935 1.00 0.00 WT3 O ATOM 45965 H1 TIP3 7969 52.366 95.294 23.837 1.00 0.00 WT3 H ATOM 45966 H2 TIP3 7969 51.100 96.060 23.515 1.00 0.00 WT3 H ATOM 45967 OH2 TIP3 7970 82.456 80.188 20.151 1.00 0.00 WT3 O ATOM 45968 H1 TIP3 7970 82.839 80.018 21.012 1.00 0.00 WT3 H ATOM 45969 H2 TIP3 7970 81.520 80.289 20.322 1.00 0.00 WT3 H ATOM 45970 OH2 TIP3 7973 88.300 85.725 58.847 1.00 0.00 WT3 O ATOM 45971 H1 TIP3 7973 88.352 85.649 57.894 1.00 0.00 WT3 H ATOM 45972 H2 TIP3 7973 89.000 85.158 59.171 1.00 0.00 WT3 H ATOM 45973 OH2 TIP3 7974 20.703 10.106 -16.880 1.00 0.00 WT3 O ATOM 45974 H1 TIP3 7974 20.934 10.085 -17.809 1.00 0.00 WT3 H ATOM 45975 H2 TIP3 7974 19.916 9.565 -16.816 1.00 0.00 WT3 H ATOM 45976 OH2 TIP3 7976 67.771 78.194 10.209 1.00 0.00 WT3 O ATOM 45977 H1 TIP3 7976 66.965 78.378 10.691 1.00 0.00 WT3 H ATOM 45978 H2 TIP3 7976 67.482 77.727 9.426 1.00 0.00 WT3 H ATOM 45979 OH2 TIP3 7978 62.947 70.004 60.234 1.00 0.00 WT3 O ATOM 45980 H1 TIP3 7978 63.541 69.992 59.483 1.00 0.00 WT3 H ATOM 45981 H2 TIP3 7978 62.572 69.124 60.257 1.00 0.00 WT3 H ATOM 45982 OH2 TIP3 7980 49.418 68.759 9.690 1.00 0.00 WT3 O ATOM 45983 H1 TIP3 7980 49.416 68.305 10.533 1.00 0.00 WT3 H ATOM 45984 H2 TIP3 7980 48.624 69.293 9.703 1.00 0.00 WT3 H ATOM 45985 OH2 TIP3 7981 45.198 69.938 63.788 1.00 0.00 WT3 O ATOM 45986 H1 TIP3 7981 45.408 69.004 63.804 1.00 0.00 WT3 H ATOM 45987 H2 TIP3 7981 44.256 69.969 63.619 1.00 0.00 WT3 H ATOM 45988 OH2 TIP3 7982 41.919 84.120 -16.805 1.00 0.00 WT3 O ATOM 45989 H1 TIP3 7982 41.068 83.725 -16.997 1.00 0.00 WT3 H ATOM 45990 H2 TIP3 7982 42.297 83.557 -16.130 1.00 0.00 WT3 H ATOM 45991 OH2 TIP3 7983 34.155 20.075 31.360 1.00 0.00 WT3 O ATOM 45992 H1 TIP3 7983 33.290 19.726 31.143 1.00 0.00 WT3 H ATOM 45993 H2 TIP3 7983 34.013 21.016 31.468 1.00 0.00 WT3 H ATOM 45994 OH2 TIP3 7984 69.433 84.886 -15.513 1.00 0.00 WT3 O ATOM 45995 H1 TIP3 7984 69.450 85.842 -15.547 1.00 0.00 WT3 H ATOM 45996 H2 TIP3 7984 70.305 84.620 -15.803 1.00 0.00 WT3 H ATOM 45997 OH2 TIP3 7985 67.572 78.698 52.834 1.00 0.00 WT3 O ATOM 45998 H1 TIP3 7985 67.121 78.739 53.677 1.00 0.00 WT3 H ATOM 45999 H2 TIP3 7985 67.739 77.765 52.697 1.00 0.00 WT3 H ATOM 46000 OH2 TIP3 7986 22.344 67.539 48.651 1.00 0.00 WT3 O ATOM 46001 H1 TIP3 7986 22.922 67.827 47.944 1.00 0.00 WT3 H ATOM 46002 H2 TIP3 7986 21.903 66.766 48.300 1.00 0.00 WT3 H ATOM 46003 OH2 TIP3 7987 29.154 65.615 -10.270 1.00 0.00 WT3 O ATOM 46004 H1 TIP3 7987 29.226 65.724 -9.321 1.00 0.00 WT3 H ATOM 46005 H2 TIP3 7987 29.626 64.803 -10.454 1.00 0.00 WT3 H ATOM 46006 OH2 TIP3 7988 60.448 3.274 -5.374 1.00 0.00 WT3 O ATOM 46007 H1 TIP3 7988 59.562 3.360 -5.024 1.00 0.00 WT3 H ATOM 46008 H2 TIP3 7988 60.805 4.162 -5.344 1.00 0.00 WT3 H ATOM 46009 OH2 TIP3 7989 75.561 34.622 -7.750 1.00 0.00 WT3 O ATOM 46010 H1 TIP3 7989 75.224 34.643 -6.854 1.00 0.00 WT3 H ATOM 46011 H2 TIP3 7989 76.411 35.057 -7.698 1.00 0.00 WT3 H ATOM 46012 OH2 TIP3 7990 87.179 21.122 5.333 1.00 0.00 WT3 O ATOM 46013 H1 TIP3 7990 88.088 21.154 5.632 1.00 0.00 WT3 H ATOM 46014 H2 TIP3 7990 87.212 20.619 4.519 1.00 0.00 WT3 H ATOM 46015 OH2 TIP3 7991 42.904 91.256 9.845 1.00 0.00 WT3 O ATOM 46016 H1 TIP3 7991 42.204 90.624 10.008 1.00 0.00 WT3 H ATOM 46017 H2 TIP3 7991 43.653 90.917 10.334 1.00 0.00 WT3 H ATOM 46018 OH2 TIP3 7992 24.849 35.969 62.017 1.00 0.00 WT3 O ATOM 46019 H1 TIP3 7992 24.598 36.378 61.189 1.00 0.00 WT3 H ATOM 46020 H2 TIP3 7992 25.701 36.352 62.225 1.00 0.00 WT3 H ATOM 46021 OH2 TIP3 7993 47.939 55.232 64.644 1.00 0.00 WT3 O ATOM 46022 H1 TIP3 7993 47.156 55.741 64.853 1.00 0.00 WT3 H ATOM 46023 H2 TIP3 7993 48.327 55.685 63.895 1.00 0.00 WT3 H ATOM 46024 OH2 TIP3 7995 82.135 69.328 39.305 1.00 0.00 WT3 O ATOM 46025 H1 TIP3 7995 83.029 69.451 39.624 1.00 0.00 WT3 H ATOM 46026 H2 TIP3 7995 82.225 68.728 38.565 1.00 0.00 WT3 H ATOM 46027 OH2 TIP3 7996 85.018 95.904 2.118 1.00 0.00 WT3 O ATOM 46028 H1 TIP3 7996 84.779 94.977 2.139 1.00 0.00 WT3 H ATOM 46029 H2 TIP3 7996 85.865 95.943 2.561 1.00 0.00 WT3 H ATOM 46030 OH2 TIP3 7997 82.040 54.796 32.224 1.00 0.00 WT3 O ATOM 46031 H1 TIP3 7997 81.580 55.632 32.148 1.00 0.00 WT3 H ATOM 46032 H2 TIP3 7997 82.952 55.004 32.021 1.00 0.00 WT3 H ATOM 46033 OH2 TIP3 7999 71.193 65.072 -18.236 1.00 0.00 WT3 O ATOM 46034 H1 TIP3 7999 71.780 65.782 -17.979 1.00 0.00 WT3 H ATOM 46035 H2 TIP3 7999 71.047 65.206 -19.172 1.00 0.00 WT3 H ATOM 46036 OH2 TIP3 8001 78.352 86.256 -15.518 1.00 0.00 WT3 O ATOM 46037 H1 TIP3 8001 78.533 86.193 -16.455 1.00 0.00 WT3 H ATOM 46038 H2 TIP3 8001 78.092 87.167 -15.384 1.00 0.00 WT3 H ATOM 46039 OH2 TIP3 8002 82.253 44.687 -1.989 1.00 0.00 WT3 O ATOM 46040 H1 TIP3 8002 81.721 44.677 -2.785 1.00 0.00 WT3 H ATOM 46041 H2 TIP3 8002 81.719 44.234 -1.338 1.00 0.00 WT3 H ATOM 46042 OH2 TIP3 8003 51.278 87.739 19.232 1.00 0.00 WT3 O ATOM 46043 H1 TIP3 8003 50.994 88.647 19.125 1.00 0.00 WT3 H ATOM 46044 H2 TIP3 8003 51.009 87.506 20.121 1.00 0.00 WT3 H ATOM 46045 OH2 TIP3 8004 73.521 95.533 65.384 1.00 0.00 WT3 O ATOM 46046 H1 TIP3 8004 73.931 96.351 65.665 1.00 0.00 WT3 H ATOM 46047 H2 TIP3 8004 74.245 94.911 65.320 1.00 0.00 WT3 H ATOM 46048 OH2 TIP3 8005 46.637 0.320 25.193 1.00 0.00 WT3 O ATOM 46049 H1 TIP3 8005 47.068 0.658 25.978 1.00 0.00 WT3 H ATOM 46050 H2 TIP3 8005 46.741 1.016 24.544 1.00 0.00 WT3 H ATOM 46051 OH2 TIP3 8006 28.051 59.258 25.218 1.00 0.00 WT3 O ATOM 46052 H1 TIP3 8006 27.200 59.692 25.171 1.00 0.00 WT3 H ATOM 46053 H2 TIP3 8006 28.413 59.343 24.336 1.00 0.00 WT3 H ATOM 46054 OH2 TIP3 8007 62.726 48.077 12.769 1.00 0.00 WT3 O ATOM 46055 H1 TIP3 8007 62.746 48.437 13.656 1.00 0.00 WT3 H ATOM 46056 H2 TIP3 8007 61.943 47.528 12.750 1.00 0.00 WT3 H ATOM 46057 OH2 TIP3 8008 51.562 68.992 54.230 1.00 0.00 WT3 O ATOM 46058 H1 TIP3 8008 52.062 69.741 53.906 1.00 0.00 WT3 H ATOM 46059 H2 TIP3 8008 50.683 69.117 53.872 1.00 0.00 WT3 H ATOM 46060 OH2 TIP3 8009 89.929 44.637 16.538 1.00 0.00 WT3 O ATOM 46061 H1 TIP3 8009 90.585 43.941 16.484 1.00 0.00 WT3 H ATOM 46062 H2 TIP3 8009 90.166 45.128 17.325 1.00 0.00 WT3 H ATOM 46063 OH2 TIP3 8011 62.952 2.669 60.555 1.00 0.00 WT3 O ATOM 46064 H1 TIP3 8011 63.698 2.075 60.643 1.00 0.00 WT3 H ATOM 46065 H2 TIP3 8011 63.247 3.486 60.957 1.00 0.00 WT3 H ATOM 46066 OH2 TIP3 8013 70.823 57.983 39.541 1.00 0.00 WT3 O ATOM 46067 H1 TIP3 8013 70.187 58.238 40.210 1.00 0.00 WT3 H ATOM 46068 H2 TIP3 8013 70.292 57.765 38.775 1.00 0.00 WT3 H ATOM 46069 OH2 TIP3 8014 90.323 45.308 -12.496 1.00 0.00 WT3 O ATOM 46070 H1 TIP3 8014 90.585 46.133 -12.088 1.00 0.00 WT3 H ATOM 46071 H2 TIP3 8014 90.626 45.382 -13.401 1.00 0.00 WT3 H ATOM 46072 OH2 TIP3 8016 23.934 86.849 -2.895 1.00 0.00 WT3 O ATOM 46073 H1 TIP3 8016 23.806 86.847 -3.844 1.00 0.00 WT3 H ATOM 46074 H2 TIP3 8016 24.860 86.639 -2.777 1.00 0.00 WT3 H ATOM 46075 OH2 TIP3 8017 25.058 32.936 12.475 1.00 0.00 WT3 O ATOM 46076 H1 TIP3 8017 24.435 33.593 12.165 1.00 0.00 WT3 H ATOM 46077 H2 TIP3 8017 25.602 33.401 13.111 1.00 0.00 WT3 H ATOM 46078 OH2 TIP3 8018 68.645 67.460 67.380 1.00 0.00 WT3 O ATOM 46079 H1 TIP3 8018 68.126 66.727 67.711 1.00 0.00 WT3 H ATOM 46080 H2 TIP3 8018 68.130 67.810 66.653 1.00 0.00 WT3 H ATOM 46081 OH2 TIP3 8019 89.464 75.842 3.245 1.00 0.00 WT3 O ATOM 46082 H1 TIP3 8019 89.211 76.029 4.149 1.00 0.00 WT3 H ATOM 46083 H2 TIP3 8019 90.416 75.940 3.237 1.00 0.00 WT3 H ATOM 46084 OH2 TIP3 8022 70.597 50.876 14.503 1.00 0.00 WT3 O ATOM 46085 H1 TIP3 8022 71.153 51.406 13.932 1.00 0.00 WT3 H ATOM 46086 H2 TIP3 8022 69.723 51.253 14.405 1.00 0.00 WT3 H ATOM 46087 OH2 TIP3 8023 30.341 93.655 -5.966 1.00 0.00 WT3 O ATOM 46088 H1 TIP3 8023 30.690 93.349 -6.803 1.00 0.00 WT3 H ATOM 46089 H2 TIP3 8023 29.460 93.969 -6.173 1.00 0.00 WT3 H ATOM 46090 OH2 TIP3 8024 37.863 58.365 8.325 1.00 0.00 WT3 O ATOM 46091 H1 TIP3 8024 38.552 58.446 8.985 1.00 0.00 WT3 H ATOM 46092 H2 TIP3 8024 37.132 57.957 8.789 1.00 0.00 WT3 H ATOM 46093 OH2 TIP3 8025 90.423 70.115 41.748 1.00 0.00 WT3 O ATOM 46094 H1 TIP3 8025 90.305 69.173 41.872 1.00 0.00 WT3 H ATOM 46095 H2 TIP3 8025 91.369 70.228 41.652 1.00 0.00 WT3 H ATOM 46096 OH2 TIP3 8026 23.715 39.175 41.010 1.00 0.00 WT3 O ATOM 46097 H1 TIP3 8026 22.973 39.541 40.527 1.00 0.00 WT3 H ATOM 46098 H2 TIP3 8026 23.458 38.271 41.194 1.00 0.00 WT3 H ATOM 46099 OH2 TIP3 8027 80.168 22.918 62.103 1.00 0.00 WT3 O ATOM 46100 H1 TIP3 8027 80.618 23.039 61.268 1.00 0.00 WT3 H ATOM 46101 H2 TIP3 8027 79.502 23.605 62.120 1.00 0.00 WT3 H ATOM 46102 OH2 TIP3 8028 65.809 43.157 34.676 1.00 0.00 WT3 O ATOM 46103 H1 TIP3 8028 65.617 43.845 35.313 1.00 0.00 WT3 H ATOM 46104 H2 TIP3 8028 65.877 43.616 33.839 1.00 0.00 WT3 H ATOM 46105 OH2 TIP3 8029 70.387 52.687 -13.950 1.00 0.00 WT3 O ATOM 46106 H1 TIP3 8029 69.979 52.385 -13.138 1.00 0.00 WT3 H ATOM 46107 H2 TIP3 8029 71.298 52.403 -13.881 1.00 0.00 WT3 H ATOM 46108 OH2 TIP3 8030 69.709 28.375 -19.200 1.00 0.00 WT3 O ATOM 46109 H1 TIP3 8030 70.167 28.925 -18.564 1.00 0.00 WT3 H ATOM 46110 H2 TIP3 8030 70.304 28.327 -19.948 1.00 0.00 WT3 H ATOM 46111 OH2 TIP3 8032 32.149 95.175 41.666 1.00 0.00 WT3 O ATOM 46112 H1 TIP3 8032 32.041 96.031 41.251 1.00 0.00 WT3 H ATOM 46113 H2 TIP3 8032 32.676 95.351 42.445 1.00 0.00 WT3 H ATOM 46114 OH2 TIP3 8034 67.537 72.661 33.129 1.00 0.00 WT3 O ATOM 46115 H1 TIP3 8034 67.870 72.489 32.248 1.00 0.00 WT3 H ATOM 46116 H2 TIP3 8034 66.740 72.134 33.191 1.00 0.00 WT3 H ATOM 46117 OH2 TIP3 8035 41.034 93.978 19.994 1.00 0.00 WT3 O ATOM 46118 H1 TIP3 8035 40.432 94.011 20.738 1.00 0.00 WT3 H ATOM 46119 H2 TIP3 8035 41.057 93.054 19.744 1.00 0.00 WT3 H ATOM 46120 OH2 TIP3 8036 89.909 61.694 13.288 1.00 0.00 WT3 O ATOM 46121 H1 TIP3 8036 90.861 61.760 13.363 1.00 0.00 WT3 H ATOM 46122 H2 TIP3 8036 89.587 61.837 14.178 1.00 0.00 WT3 H ATOM 46123 OH2 TIP3 8037 27.828 51.429 -14.593 1.00 0.00 WT3 O ATOM 46124 H1 TIP3 8037 28.255 52.120 -15.100 1.00 0.00 WT3 H ATOM 46125 H2 TIP3 8037 27.045 51.846 -14.232 1.00 0.00 WT3 H ATOM 46126 OH2 TIP3 8038 22.064 81.448 60.281 1.00 0.00 WT3 O ATOM 46127 H1 TIP3 8038 21.569 81.177 61.054 1.00 0.00 WT3 H ATOM 46128 H2 TIP3 8038 22.095 80.666 59.730 1.00 0.00 WT3 H ATOM 46129 OH2 TIP3 8039 46.052 21.853 30.477 1.00 0.00 WT3 O ATOM 46130 H1 TIP3 8039 45.286 21.343 30.212 1.00 0.00 WT3 H ATOM 46131 H2 TIP3 8039 45.936 22.701 30.048 1.00 0.00 WT3 H ATOM 46132 OH2 TIP3 8040 86.392 60.339 50.675 1.00 0.00 WT3 O ATOM 46133 H1 TIP3 8040 86.151 61.220 50.961 1.00 0.00 WT3 H ATOM 46134 H2 TIP3 8040 86.867 59.967 51.418 1.00 0.00 WT3 H ATOM 46135 OH2 TIP3 8041 53.015 17.036 55.276 1.00 0.00 WT3 O ATOM 46136 H1 TIP3 8041 53.204 16.595 54.447 1.00 0.00 WT3 H ATOM 46137 H2 TIP3 8041 52.895 17.955 55.037 1.00 0.00 WT3 H ATOM 46138 OH2 TIP3 8042 90.169 50.251 7.115 1.00 0.00 WT3 O ATOM 46139 H1 TIP3 8042 91.085 50.478 6.950 1.00 0.00 WT3 H ATOM 46140 H2 TIP3 8042 90.173 49.300 7.220 1.00 0.00 WT3 H ATOM 46141 OH2 TIP3 8043 83.664 3.990 -5.336 1.00 0.00 WT3 O ATOM 46142 H1 TIP3 8043 82.730 4.111 -5.165 1.00 0.00 WT3 H ATOM 46143 H2 TIP3 8043 84.061 3.922 -4.468 1.00 0.00 WT3 H ATOM 46144 OH2 TIP3 8045 73.551 35.389 29.899 1.00 0.00 WT3 O ATOM 46145 H1 TIP3 8045 74.374 35.427 29.411 1.00 0.00 WT3 H ATOM 46146 H2 TIP3 8045 73.704 35.936 30.670 1.00 0.00 WT3 H ATOM 46147 OH2 TIP3 8046 59.016 85.445 0.879 1.00 0.00 WT3 O ATOM 46148 H1 TIP3 8046 59.122 85.632 1.812 1.00 0.00 WT3 H ATOM 46149 H2 TIP3 8046 58.146 85.780 0.664 1.00 0.00 WT3 H ATOM 46150 OH2 TIP3 8047 84.517 30.200 -16.249 1.00 0.00 WT3 O ATOM 46151 H1 TIP3 8047 83.892 30.419 -16.940 1.00 0.00 WT3 H ATOM 46152 H2 TIP3 8047 84.419 30.902 -15.606 1.00 0.00 WT3 H ATOM 46153 OH2 TIP3 8049 80.144 56.795 18.558 1.00 0.00 WT3 O ATOM 46154 H1 TIP3 8049 80.813 56.723 17.877 1.00 0.00 WT3 H ATOM 46155 H2 TIP3 8049 80.254 57.678 18.910 1.00 0.00 WT3 H ATOM 46156 OH2 TIP3 8051 50.780 43.109 -13.172 1.00 0.00 WT3 O ATOM 46157 H1 TIP3 8051 50.122 42.779 -13.784 1.00 0.00 WT3 H ATOM 46158 H2 TIP3 8051 51.199 42.322 -12.824 1.00 0.00 WT3 H ATOM 46159 OH2 TIP3 8052 48.107 8.886 12.881 1.00 0.00 WT3 O ATOM 46160 H1 TIP3 8052 47.231 9.148 12.595 1.00 0.00 WT3 H ATOM 46161 H2 TIP3 8052 48.208 9.288 13.744 1.00 0.00 WT3 H ATOM 46162 OH2 TIP3 8053 61.073 93.346 6.323 1.00 0.00 WT3 O ATOM 46163 H1 TIP3 8053 60.618 94.181 6.211 1.00 0.00 WT3 H ATOM 46164 H2 TIP3 8053 60.463 92.805 6.823 1.00 0.00 WT3 H ATOM 46165 OH2 TIP3 8054 52.368 77.289 42.673 1.00 0.00 WT3 O ATOM 46166 H1 TIP3 8054 51.796 76.532 42.548 1.00 0.00 WT3 H ATOM 46167 H2 TIP3 8054 53.254 76.939 42.574 1.00 0.00 WT3 H ATOM 46168 OH2 TIP3 8055 36.711 30.958 35.027 1.00 0.00 WT3 O ATOM 46169 H1 TIP3 8055 36.052 31.174 34.367 1.00 0.00 WT3 H ATOM 46170 H2 TIP3 8055 36.989 31.806 35.375 1.00 0.00 WT3 H ATOM 46171 OH2 TIP3 8056 82.868 75.815 -3.670 1.00 0.00 WT3 O ATOM 46172 H1 TIP3 8056 82.285 75.487 -2.986 1.00 0.00 WT3 H ATOM 46173 H2 TIP3 8056 83.311 75.034 -4.003 1.00 0.00 WT3 H ATOM 46174 OH2 TIP3 8057 38.149 85.275 -7.931 1.00 0.00 WT3 O ATOM 46175 H1 TIP3 8057 37.414 85.081 -7.350 1.00 0.00 WT3 H ATOM 46176 H2 TIP3 8057 38.062 84.645 -8.647 1.00 0.00 WT3 H ATOM 46177 OH2 TIP3 8058 73.196 1.345 9.980 1.00 0.00 WT3 O ATOM 46178 H1 TIP3 8058 72.861 0.470 9.786 1.00 0.00 WT3 H ATOM 46179 H2 TIP3 8058 74.145 1.234 10.030 1.00 0.00 WT3 H ATOM 46180 OH2 TIP3 8059 41.428 82.932 42.873 1.00 0.00 WT3 O ATOM 46181 H1 TIP3 8059 41.360 82.006 43.108 1.00 0.00 WT3 H ATOM 46182 H2 TIP3 8059 42.369 83.093 42.799 1.00 0.00 WT3 H ATOM 46183 OH2 TIP3 8060 83.597 60.160 50.343 1.00 0.00 WT3 O ATOM 46184 H1 TIP3 8060 84.553 60.210 50.368 1.00 0.00 WT3 H ATOM 46185 H2 TIP3 8060 83.337 60.849 49.732 1.00 0.00 WT3 H ATOM 46186 OH2 TIP3 8061 54.485 23.078 -5.122 1.00 0.00 WT3 O ATOM 46187 H1 TIP3 8061 54.639 22.148 -5.284 1.00 0.00 WT3 H ATOM 46188 H2 TIP3 8061 53.921 23.097 -4.349 1.00 0.00 WT3 H ATOM 46189 OH2 TIP3 8062 49.351 69.845 57.047 1.00 0.00 WT3 O ATOM 46190 H1 TIP3 8062 49.047 70.328 56.278 1.00 0.00 WT3 H ATOM 46191 H2 TIP3 8062 50.176 69.447 56.769 1.00 0.00 WT3 H ATOM 46192 OH2 TIP3 8063 88.386 25.762 56.330 1.00 0.00 WT3 O ATOM 46193 H1 TIP3 8063 88.939 25.182 56.854 1.00 0.00 WT3 H ATOM 46194 H2 TIP3 8063 87.496 25.584 56.634 1.00 0.00 WT3 H ATOM 46195 OH2 TIP3 8064 85.119 59.433 -1.491 1.00 0.00 WT3 O ATOM 46196 H1 TIP3 8064 84.229 59.747 -1.335 1.00 0.00 WT3 H ATOM 46197 H2 TIP3 8064 85.586 59.619 -0.677 1.00 0.00 WT3 H ATOM 46198 OH2 TIP3 8065 37.661 22.388 22.062 1.00 0.00 WT3 O ATOM 46199 H1 TIP3 8065 37.248 22.252 21.209 1.00 0.00 WT3 H ATOM 46200 H2 TIP3 8065 38.192 21.604 22.199 1.00 0.00 WT3 H ATOM 46201 OH2 TIP3 8066 69.574 63.907 43.707 1.00 0.00 WT3 O ATOM 46202 H1 TIP3 8066 69.988 63.067 43.905 1.00 0.00 WT3 H ATOM 46203 H2 TIP3 8066 68.874 63.691 43.091 1.00 0.00 WT3 H ATOM 46204 OH2 TIP3 8067 24.263 54.766 -5.909 1.00 0.00 WT3 O ATOM 46205 H1 TIP3 8067 23.724 54.455 -6.637 1.00 0.00 WT3 H ATOM 46206 H2 TIP3 8067 23.797 55.533 -5.576 1.00 0.00 WT3 H ATOM 46207 OH2 TIP3 8068 67.608 93.982 2.057 1.00 0.00 WT3 O ATOM 46208 H1 TIP3 8068 67.515 94.497 2.858 1.00 0.00 WT3 H ATOM 46209 H2 TIP3 8068 67.387 94.591 1.352 1.00 0.00 WT3 H ATOM 46210 OH2 TIP3 8069 77.531 29.523 -19.383 1.00 0.00 WT3 O ATOM 46211 H1 TIP3 8069 77.531 30.013 -20.205 1.00 0.00 WT3 H ATOM 46212 H2 TIP3 8069 78.448 29.287 -19.244 1.00 0.00 WT3 H ATOM 46213 OH2 TIP3 8070 55.600 31.471 7.088 1.00 0.00 WT3 O ATOM 46214 H1 TIP3 8070 55.324 30.776 7.686 1.00 0.00 WT3 H ATOM 46215 H2 TIP3 8070 55.850 32.196 7.661 1.00 0.00 WT3 H ATOM 46216 OH2 TIP3 8071 88.064 77.201 41.839 1.00 0.00 WT3 O ATOM 46217 H1 TIP3 8071 88.745 77.239 41.167 1.00 0.00 WT3 H ATOM 46218 H2 TIP3 8071 87.895 76.266 41.956 1.00 0.00 WT3 H ATOM 46219 OH2 TIP3 8073 79.500 62.635 -17.102 1.00 0.00 WT3 O ATOM 46220 H1 TIP3 8073 79.959 63.284 -16.569 1.00 0.00 WT3 H ATOM 46221 H2 TIP3 8073 80.190 62.211 -17.612 1.00 0.00 WT3 H ATOM 46222 OH2 TIP3 8074 37.447 21.603 64.334 1.00 0.00 WT3 O ATOM 46223 H1 TIP3 8074 36.911 21.824 65.096 1.00 0.00 WT3 H ATOM 46224 H2 TIP3 8074 37.556 20.654 64.384 1.00 0.00 WT3 H ATOM 46225 OH2 TIP3 8075 37.389 12.550 26.486 1.00 0.00 WT3 O ATOM 46226 H1 TIP3 8075 37.369 13.474 26.736 1.00 0.00 WT3 H ATOM 46227 H2 TIP3 8075 36.708 12.467 25.819 1.00 0.00 WT3 H ATOM 46228 OH2 TIP3 8076 62.143 71.678 -14.997 1.00 0.00 WT3 O ATOM 46229 H1 TIP3 8076 62.232 72.124 -15.839 1.00 0.00 WT3 H ATOM 46230 H2 TIP3 8076 62.555 72.269 -14.367 1.00 0.00 WT3 H ATOM 46231 OH2 TIP3 8077 66.707 2.206 20.844 1.00 0.00 WT3 O ATOM 46232 H1 TIP3 8077 66.322 2.241 21.720 1.00 0.00 WT3 H ATOM 46233 H2 TIP3 8077 66.762 1.272 20.642 1.00 0.00 WT3 H ATOM 46234 OH2 TIP3 8079 77.871 27.374 6.157 1.00 0.00 WT3 O ATOM 46235 H1 TIP3 8079 77.663 26.765 6.866 1.00 0.00 WT3 H ATOM 46236 H2 TIP3 8079 78.623 27.870 6.480 1.00 0.00 WT3 H ATOM 46237 OH2 TIP3 8080 73.071 -0.108 13.431 1.00 0.00 WT3 O ATOM 46238 H1 TIP3 8080 72.729 0.559 12.835 1.00 0.00 WT3 H ATOM 46239 H2 TIP3 8080 73.991 -0.201 13.183 1.00 0.00 WT3 H ATOM 46240 OH2 TIP3 8081 77.769 69.407 -17.432 1.00 0.00 WT3 O ATOM 46241 H1 TIP3 8081 77.922 68.473 -17.294 1.00 0.00 WT3 H ATOM 46242 H2 TIP3 8081 78.401 69.842 -16.860 1.00 0.00 WT3 H ATOM 46243 OH2 TIP3 8082 63.957 6.789 26.636 1.00 0.00 WT3 O ATOM 46244 H1 TIP3 8082 64.544 6.060 26.437 1.00 0.00 WT3 H ATOM 46245 H2 TIP3 8082 63.498 6.959 25.814 1.00 0.00 WT3 H ATOM 46246 OH2 TIP3 8083 36.895 90.330 29.066 1.00 0.00 WT3 O ATOM 46247 H1 TIP3 8083 37.207 91.231 28.985 1.00 0.00 WT3 H ATOM 46248 H2 TIP3 8083 37.384 89.846 28.400 1.00 0.00 WT3 H ATOM 46249 OH2 TIP3 8084 70.871 22.807 4.224 1.00 0.00 WT3 O ATOM 46250 H1 TIP3 8084 70.828 22.712 3.273 1.00 0.00 WT3 H ATOM 46251 H2 TIP3 8084 70.137 22.286 4.550 1.00 0.00 WT3 H ATOM 46252 OH2 TIP3 8085 42.923 95.808 61.494 1.00 0.00 WT3 O ATOM 46253 H1 TIP3 8085 42.630 96.152 60.650 1.00 0.00 WT3 H ATOM 46254 H2 TIP3 8085 42.201 95.256 61.793 1.00 0.00 WT3 H ATOM 46255 OH2 TIP3 8086 47.622 79.647 -12.017 1.00 0.00 WT3 O ATOM 46256 H1 TIP3 8086 47.115 79.539 -12.822 1.00 0.00 WT3 H ATOM 46257 H2 TIP3 8086 48.163 78.859 -11.967 1.00 0.00 WT3 H ATOM 46258 OH2 TIP3 8087 82.216 64.934 -8.101 1.00 0.00 WT3 O ATOM 46259 H1 TIP3 8087 82.677 64.115 -7.920 1.00 0.00 WT3 H ATOM 46260 H2 TIP3 8087 81.367 64.831 -7.671 1.00 0.00 WT3 H ATOM 46261 OH2 TIP3 8088 64.148 14.981 4.147 1.00 0.00 WT3 O ATOM 46262 H1 TIP3 8088 65.012 15.374 4.268 1.00 0.00 WT3 H ATOM 46263 H2 TIP3 8088 63.535 15.651 4.450 1.00 0.00 WT3 H ATOM 46264 OH2 TIP3 8089 70.146 83.955 41.233 1.00 0.00 WT3 O ATOM 46265 H1 TIP3 8089 70.653 83.279 41.683 1.00 0.00 WT3 H ATOM 46266 H2 TIP3 8089 69.233 83.714 41.389 1.00 0.00 WT3 H ATOM 46267 OH2 TIP3 8090 61.118 58.666 45.963 1.00 0.00 WT3 O ATOM 46268 H1 TIP3 8090 60.403 58.637 46.599 1.00 0.00 WT3 H ATOM 46269 H2 TIP3 8090 60.717 59.014 45.167 1.00 0.00 WT3 H ATOM 46270 OH2 TIP3 8091 78.911 50.398 66.927 1.00 0.00 WT3 O ATOM 46271 H1 TIP3 8091 79.023 51.117 66.305 1.00 0.00 WT3 H ATOM 46272 H2 TIP3 8091 78.182 49.888 66.575 1.00 0.00 WT3 H ATOM 46273 OH2 TIP3 8092 31.092 60.345 63.538 1.00 0.00 WT3 O ATOM 46274 H1 TIP3 8092 30.282 60.012 63.151 1.00 0.00 WT3 H ATOM 46275 H2 TIP3 8092 31.587 60.693 62.797 1.00 0.00 WT3 H ATOM 46276 OH2 TIP3 8093 45.214 34.493 -18.235 1.00 0.00 WT3 O ATOM 46277 H1 TIP3 8093 45.061 34.039 -17.406 1.00 0.00 WT3 H ATOM 46278 H2 TIP3 8093 45.677 35.294 -17.988 1.00 0.00 WT3 H ATOM 46279 OH2 TIP3 8094 78.598 58.476 38.288 1.00 0.00 WT3 O ATOM 46280 H1 TIP3 8094 78.482 58.261 39.214 1.00 0.00 WT3 H ATOM 46281 H2 TIP3 8094 77.722 58.394 37.911 1.00 0.00 WT3 H ATOM 46282 OH2 TIP3 8095 68.494 34.029 33.734 1.00 0.00 WT3 O ATOM 46283 H1 TIP3 8095 69.129 34.745 33.739 1.00 0.00 WT3 H ATOM 46284 H2 TIP3 8095 68.312 33.876 32.807 1.00 0.00 WT3 H ATOM 46285 OH2 TIP3 8096 33.635 80.238 32.367 1.00 0.00 WT3 O ATOM 46286 H1 TIP3 8096 33.123 80.597 31.642 1.00 0.00 WT3 H ATOM 46287 H2 TIP3 8096 34.405 79.852 31.949 1.00 0.00 WT3 H ATOM 46288 OH2 TIP3 8097 77.860 70.933 60.473 1.00 0.00 WT3 O ATOM 46289 H1 TIP3 8097 78.027 70.814 61.408 1.00 0.00 WT3 H ATOM 46290 H2 TIP3 8097 77.996 71.868 60.323 1.00 0.00 WT3 H ATOM 46291 OH2 TIP3 8099 23.940 10.934 48.220 1.00 0.00 WT3 O ATOM 46292 H1 TIP3 8099 24.177 11.057 47.301 1.00 0.00 WT3 H ATOM 46293 H2 TIP3 8099 24.704 11.239 48.709 1.00 0.00 WT3 H ATOM 46294 OH2 TIP3 8100 78.629 78.504 51.080 1.00 0.00 WT3 O ATOM 46295 H1 TIP3 8100 77.891 78.657 50.490 1.00 0.00 WT3 H ATOM 46296 H2 TIP3 8100 79.123 77.795 50.669 1.00 0.00 WT3 H ATOM 46297 OH2 TIP3 8101 57.537 21.295 21.023 1.00 0.00 WT3 O ATOM 46298 H1 TIP3 8101 56.788 21.463 21.594 1.00 0.00 WT3 H ATOM 46299 H2 TIP3 8101 57.647 22.104 20.524 1.00 0.00 WT3 H ATOM 46300 OH2 TIP3 8102 31.031 84.844 24.321 1.00 0.00 WT3 O ATOM 46301 H1 TIP3 8102 30.469 84.070 24.345 1.00 0.00 WT3 H ATOM 46302 H2 TIP3 8102 31.165 85.072 25.241 1.00 0.00 WT3 H ATOM 46303 OH2 TIP3 8103 37.751 30.380 -0.818 1.00 0.00 WT3 O ATOM 46304 H1 TIP3 8103 37.445 31.086 -1.387 1.00 0.00 WT3 H ATOM 46305 H2 TIP3 8103 37.482 30.646 0.061 1.00 0.00 WT3 H ATOM 46306 OH2 TIP3 8104 43.140 73.199 9.933 1.00 0.00 WT3 O ATOM 46307 H1 TIP3 8104 43.732 72.699 10.495 1.00 0.00 WT3 H ATOM 46308 H2 TIP3 8104 42.456 73.512 10.524 1.00 0.00 WT3 H ATOM 46309 OH2 TIP3 8105 78.438 48.164 -1.486 1.00 0.00 WT3 O ATOM 46310 H1 TIP3 8105 78.840 48.068 -0.622 1.00 0.00 WT3 H ATOM 46311 H2 TIP3 8105 77.663 48.705 -1.331 1.00 0.00 WT3 H ATOM 46312 OH2 TIP3 8106 74.373 77.143 4.208 1.00 0.00 WT3 O ATOM 46313 H1 TIP3 8106 75.328 77.070 4.221 1.00 0.00 WT3 H ATOM 46314 H2 TIP3 8106 74.063 76.294 4.521 1.00 0.00 WT3 H ATOM 46315 OH2 TIP3 8107 89.216 31.802 -2.085 1.00 0.00 WT3 O ATOM 46316 H1 TIP3 8107 89.346 31.268 -1.301 1.00 0.00 WT3 H ATOM 46317 H2 TIP3 8107 89.285 32.705 -1.773 1.00 0.00 WT3 H ATOM 46318 OH2 TIP3 8108 80.783 78.849 65.965 1.00 0.00 WT3 O ATOM 46319 H1 TIP3 8108 80.523 78.443 65.138 1.00 0.00 WT3 H ATOM 46320 H2 TIP3 8108 79.964 79.174 66.340 1.00 0.00 WT3 H ATOM 46321 OH2 TIP3 8109 82.059 28.974 11.330 1.00 0.00 WT3 O ATOM 46322 H1 TIP3 8109 81.970 29.752 10.781 1.00 0.00 WT3 H ATOM 46323 H2 TIP3 8109 82.170 28.253 10.710 1.00 0.00 WT3 H ATOM 46324 OH2 TIP3 8110 21.508 48.405 -18.712 1.00 0.00 WT3 O ATOM 46325 H1 TIP3 8110 20.642 48.388 -18.303 1.00 0.00 WT3 H ATOM 46326 H2 TIP3 8110 21.622 47.524 -19.069 1.00 0.00 WT3 H ATOM 46327 OH2 TIP3 8111 61.785 80.613 10.556 1.00 0.00 WT3 O ATOM 46328 H1 TIP3 8111 62.047 80.613 9.635 1.00 0.00 WT3 H ATOM 46329 H2 TIP3 8111 62.271 79.886 10.944 1.00 0.00 WT3 H ATOM 46330 OH2 TIP3 8112 25.776 71.433 52.054 1.00 0.00 WT3 O ATOM 46331 H1 TIP3 8112 25.817 71.795 51.168 1.00 0.00 WT3 H ATOM 46332 H2 TIP3 8112 26.273 72.052 52.589 1.00 0.00 WT3 H ATOM 46333 OH2 TIP3 8113 86.905 65.169 28.245 1.00 0.00 WT3 O ATOM 46334 H1 TIP3 8113 86.743 65.688 29.033 1.00 0.00 WT3 H ATOM 46335 H2 TIP3 8113 87.632 64.593 28.483 1.00 0.00 WT3 H ATOM 46336 OH2 TIP3 8114 81.433 7.595 2.581 1.00 0.00 WT3 O ATOM 46337 H1 TIP3 8114 81.039 7.250 1.779 1.00 0.00 WT3 H ATOM 46338 H2 TIP3 8114 81.832 8.424 2.315 1.00 0.00 WT3 H ATOM 46339 OH2 TIP3 8116 42.864 92.605 -13.068 1.00 0.00 WT3 O ATOM 46340 H1 TIP3 8116 43.402 91.842 -12.855 1.00 0.00 WT3 H ATOM 46341 H2 TIP3 8116 43.475 93.342 -13.051 1.00 0.00 WT3 H ATOM 46342 OH2 TIP3 8117 72.815 78.354 20.854 1.00 0.00 WT3 O ATOM 46343 H1 TIP3 8117 72.711 78.715 21.734 1.00 0.00 WT3 H ATOM 46344 H2 TIP3 8117 72.620 77.422 20.952 1.00 0.00 WT3 H ATOM 46345 OH2 TIP3 8118 84.832 91.180 28.791 1.00 0.00 WT3 O ATOM 46346 H1 TIP3 8118 85.126 90.275 28.692 1.00 0.00 WT3 H ATOM 46347 H2 TIP3 8118 84.428 91.395 27.951 1.00 0.00 WT3 H ATOM 46348 OH2 TIP3 8121 53.902 83.288 19.791 1.00 0.00 WT3 O ATOM 46349 H1 TIP3 8121 53.664 83.421 20.708 1.00 0.00 WT3 H ATOM 46350 H2 TIP3 8121 54.435 84.051 19.568 1.00 0.00 WT3 H ATOM 46351 OH2 TIP3 8122 51.071 96.567 14.930 1.00 0.00 WT3 O ATOM 46352 H1 TIP3 8122 51.680 95.841 14.795 1.00 0.00 WT3 H ATOM 46353 H2 TIP3 8122 50.446 96.493 14.209 1.00 0.00 WT3 H ATOM 46354 OH2 TIP3 8123 88.781 67.364 54.221 1.00 0.00 WT3 O ATOM 46355 H1 TIP3 8123 88.761 66.756 53.482 1.00 0.00 WT3 H ATOM 46356 H2 TIP3 8123 88.384 66.876 54.943 1.00 0.00 WT3 H ATOM 46357 OH2 TIP3 8128 31.251 65.554 8.558 1.00 0.00 WT3 O ATOM 46358 H1 TIP3 8128 32.110 65.959 8.674 1.00 0.00 WT3 H ATOM 46359 H2 TIP3 8128 30.769 65.783 9.353 1.00 0.00 WT3 H ATOM 46360 OH2 TIP3 8129 75.085 84.466 41.028 1.00 0.00 WT3 O ATOM 46361 H1 TIP3 8129 74.566 84.752 40.277 1.00 0.00 WT3 H ATOM 46362 H2 TIP3 8129 74.445 84.342 41.729 1.00 0.00 WT3 H ATOM 46363 OH2 TIP3 8133 34.742 78.404 10.308 1.00 0.00 WT3 O ATOM 46364 H1 TIP3 8133 35.596 78.304 9.889 1.00 0.00 WT3 H ATOM 46365 H2 TIP3 8133 34.877 78.100 11.205 1.00 0.00 WT3 H ATOM 46366 OH2 TIP3 8135 79.106 0.121 -16.296 1.00 0.00 WT3 O ATOM 46367 H1 TIP3 8135 78.349 0.624 -16.596 1.00 0.00 WT3 H ATOM 46368 H2 TIP3 8135 78.881 -0.789 -16.489 1.00 0.00 WT3 H ATOM 46369 OH2 TIP3 8137 57.600 66.415 22.921 1.00 0.00 WT3 O ATOM 46370 H1 TIP3 8137 58.300 65.985 22.430 1.00 0.00 WT3 H ATOM 46371 H2 TIP3 8137 56.893 66.525 22.285 1.00 0.00 WT3 H ATOM 46372 OH2 TIP3 8138 20.752 70.628 4.887 1.00 0.00 WT3 O ATOM 46373 H1 TIP3 8138 20.423 70.180 5.666 1.00 0.00 WT3 H ATOM 46374 H2 TIP3 8138 20.462 70.082 4.156 1.00 0.00 WT3 H ATOM 46375 OH2 TIP3 8142 67.331 45.473 -1.264 1.00 0.00 WT3 O ATOM 46376 H1 TIP3 8142 67.455 44.591 -0.912 1.00 0.00 WT3 H ATOM 46377 H2 TIP3 8142 67.772 46.046 -0.636 1.00 0.00 WT3 H ATOM 46378 OH2 TIP3 8143 85.569 88.220 44.258 1.00 0.00 WT3 O ATOM 46379 H1 TIP3 8143 86.446 88.516 44.501 1.00 0.00 WT3 H ATOM 46380 H2 TIP3 8143 85.694 87.748 43.435 1.00 0.00 WT3 H ATOM 46381 OH2 TIP3 8146 73.179 56.768 -2.801 1.00 0.00 WT3 O ATOM 46382 H1 TIP3 8146 73.957 56.940 -3.331 1.00 0.00 WT3 H ATOM 46383 H2 TIP3 8146 73.507 56.715 -1.903 1.00 0.00 WT3 H ATOM 46384 OH2 TIP3 8147 90.947 22.941 66.910 1.00 0.00 WT3 O ATOM 46385 H1 TIP3 8147 90.549 23.193 67.744 1.00 0.00 WT3 H ATOM 46386 H2 TIP3 8147 90.582 23.557 66.275 1.00 0.00 WT3 H ATOM 46387 OH2 TIP3 8150 88.963 32.937 8.552 1.00 0.00 WT3 O ATOM 46388 H1 TIP3 8150 89.182 33.680 7.989 1.00 0.00 WT3 H ATOM 46389 H2 TIP3 8150 88.156 33.200 8.995 1.00 0.00 WT3 H ATOM 46390 OH2 TIP3 8154 45.139 89.104 21.294 1.00 0.00 WT3 O ATOM 46391 H1 TIP3 8154 45.644 89.285 20.501 1.00 0.00 WT3 H ATOM 46392 H2 TIP3 8154 44.367 88.631 20.984 1.00 0.00 WT3 H ATOM 46393 OH2 TIP3 8155 28.865 58.129 7.674 1.00 0.00 WT3 O ATOM 46394 H1 TIP3 8155 29.364 58.637 7.035 1.00 0.00 WT3 H ATOM 46395 H2 TIP3 8155 29.481 57.466 7.987 1.00 0.00 WT3 H ATOM 46396 OH2 TIP3 8158 82.564 1.632 59.223 1.00 0.00 WT3 O ATOM 46397 H1 TIP3 8158 82.031 2.263 59.707 1.00 0.00 WT3 H ATOM 46398 H2 TIP3 8158 82.974 1.095 59.901 1.00 0.00 WT3 H ATOM 46399 OH2 TIP3 8159 60.477 77.334 -2.800 1.00 0.00 WT3 O ATOM 46400 H1 TIP3 8159 59.967 76.747 -2.241 1.00 0.00 WT3 H ATOM 46401 H2 TIP3 8159 60.155 78.209 -2.585 1.00 0.00 WT3 H ATOM 46402 OH2 TIP3 8170 33.245 68.727 37.517 1.00 0.00 WT3 O ATOM 46403 H1 TIP3 8170 33.695 68.774 36.674 1.00 0.00 WT3 H ATOM 46404 H2 TIP3 8170 33.932 68.495 38.143 1.00 0.00 WT3 H ATOM 46405 OH2 TIP3 8174 88.181 40.115 -13.031 1.00 0.00 WT3 O ATOM 46406 H1 TIP3 8174 88.585 40.982 -12.988 1.00 0.00 WT3 H ATOM 46407 H2 TIP3 8174 88.920 39.508 -13.083 1.00 0.00 WT3 H ATOM 46408 OH2 TIP3 8178 85.220 39.895 37.679 1.00 0.00 WT3 O ATOM 46409 H1 TIP3 8178 85.760 39.219 38.090 1.00 0.00 WT3 H ATOM 46410 H2 TIP3 8178 84.377 39.469 37.527 1.00 0.00 WT3 H ATOM 46411 OH2 TIP3 8180 50.120 87.942 5.940 1.00 0.00 WT3 O ATOM 46412 H1 TIP3 8180 49.747 87.339 5.297 1.00 0.00 WT3 H ATOM 46413 H2 TIP3 8180 49.999 88.809 5.554 1.00 0.00 WT3 H ATOM 46414 OH2 TIP3 8183 86.452 55.820 37.056 1.00 0.00 WT3 O ATOM 46415 H1 TIP3 8183 87.359 55.520 37.115 1.00 0.00 WT3 H ATOM 46416 H2 TIP3 8183 86.020 55.171 36.500 1.00 0.00 WT3 H ATOM 46417 OH2 TIP3 8185 21.631 82.459 19.403 1.00 0.00 WT3 O ATOM 46418 H1 TIP3 8185 22.117 83.180 19.003 1.00 0.00 WT3 H ATOM 46419 H2 TIP3 8185 22.201 82.147 20.107 1.00 0.00 WT3 H ATOM 46420 OH2 TIP3 8201 31.066 23.668 33.816 1.00 0.00 WT3 O ATOM 46421 H1 TIP3 8201 30.993 24.472 33.302 1.00 0.00 WT3 H ATOM 46422 H2 TIP3 8201 30.637 23.001 33.280 1.00 0.00 WT3 H ATOM 46423 OH2 TIP3 8202 54.126 78.389 65.737 1.00 0.00 WT3 O ATOM 46424 H1 TIP3 8202 54.936 78.016 65.389 1.00 0.00 WT3 H ATOM 46425 H2 TIP3 8202 54.221 79.333 65.607 1.00 0.00 WT3 H ATOM 46426 OH2 TIP3 8206 52.268 79.708 28.089 1.00 0.00 WT3 O ATOM 46427 H1 TIP3 8206 52.586 79.122 28.776 1.00 0.00 WT3 H ATOM 46428 H2 TIP3 8206 52.037 79.126 27.365 1.00 0.00 WT3 H ATOM 46429 OH2 TIP3 8219 26.443 27.357 40.109 1.00 0.00 WT3 O ATOM 46430 H1 TIP3 8219 25.832 26.869 40.661 1.00 0.00 WT3 H ATOM 46431 H2 TIP3 8219 25.883 27.904 39.557 1.00 0.00 WT3 H ATOM 46432 OH2 TIP3 8228 83.730 54.208 -1.167 1.00 0.00 WT3 O ATOM 46433 H1 TIP3 8228 84.586 54.615 -1.297 1.00 0.00 WT3 H ATOM 46434 H2 TIP3 8228 83.217 54.871 -0.704 1.00 0.00 WT3 H ATOM 46435 OH2 TIP3 8267 25.758 66.545 -2.356 1.00 0.00 WT3 O ATOM 46436 H1 TIP3 8267 24.953 66.116 -2.645 1.00 0.00 WT3 H ATOM 46437 H2 TIP3 8267 25.704 66.538 -1.400 1.00 0.00 WT3 H ATOM 46438 OH2 TIP3 8270 30.850 73.258 -10.355 1.00 0.00 WT3 O ATOM 46439 H1 TIP3 8270 30.158 73.743 -9.906 1.00 0.00 WT3 H ATOM 46440 H2 TIP3 8270 31.213 72.680 -9.684 1.00 0.00 WT3 H ATOM 46441 OH2 TIP3 8290 20.942 41.140 37.476 1.00 0.00 WT3 O ATOM 46442 H1 TIP3 8290 20.133 40.943 37.949 1.00 0.00 WT3 H ATOM 46443 H2 TIP3 8290 20.867 42.067 37.249 1.00 0.00 WT3 H ATOM 46444 OH2 TIP3 8304 63.942 85.041 -10.465 1.00 0.00 WT3 O ATOM 46445 H1 TIP3 8304 64.636 84.384 -10.415 1.00 0.00 WT3 H ATOM 46446 H2 TIP3 8304 64.394 85.877 -10.345 1.00 0.00 WT3 H ATOM 46447 OH2 TIP3 8309 65.508 64.590 42.527 1.00 0.00 WT3 O ATOM 46448 H1 TIP3 8309 64.692 64.095 42.604 1.00 0.00 WT3 H ATOM 46449 H2 TIP3 8309 65.339 65.223 41.829 1.00 0.00 WT3 H ATOM 46450 OH2 TIP3 8319 48.998 84.160 46.310 1.00 0.00 WT3 O ATOM 46451 H1 TIP3 8319 49.895 84.322 46.603 1.00 0.00 WT3 H ATOM 46452 H2 TIP3 8319 48.887 83.213 46.389 1.00 0.00 WT3 H ATOM 46453 OH2 TIP3 8322 25.475 58.149 18.348 1.00 0.00 WT3 O ATOM 46454 H1 TIP3 8322 25.117 57.294 18.109 1.00 0.00 WT3 H ATOM 46455 H2 TIP3 8322 26.380 57.968 18.601 1.00 0.00 WT3 H ATOM 46456 OH2 TIP3 8324 69.098 90.723 13.792 1.00 0.00 WT3 O ATOM 46457 H1 TIP3 8324 69.029 91.595 14.182 1.00 0.00 WT3 H ATOM 46458 H2 TIP3 8324 69.282 90.888 12.867 1.00 0.00 WT3 H ATOM 46459 OH2 TIP3 8327 65.447 7.729 57.550 1.00 0.00 WT3 O ATOM 46460 H1 TIP3 8327 65.594 8.092 58.423 1.00 0.00 WT3 H ATOM 46461 H2 TIP3 8327 64.843 8.343 57.133 1.00 0.00 WT3 H ATOM 46462 OH2 TIP3 8339 64.947 20.524 51.875 1.00 0.00 WT3 O ATOM 46463 H1 TIP3 8339 65.567 21.074 51.395 1.00 0.00 WT3 H ATOM 46464 H2 TIP3 8339 64.407 20.122 51.194 1.00 0.00 WT3 H ATOM 46465 OH2 TIP3 8345 22.583 74.931 9.303 1.00 0.00 WT3 O ATOM 46466 H1 TIP3 8345 21.800 74.830 9.844 1.00 0.00 WT3 H ATOM 46467 H2 TIP3 8345 22.880 75.824 9.475 1.00 0.00 WT3 H ATOM 46468 OH2 TIP3 8348 86.793 69.964 21.052 1.00 0.00 WT3 O ATOM 46469 H1 TIP3 8348 86.361 69.493 20.339 1.00 0.00 WT3 H ATOM 46470 H2 TIP3 8348 87.040 70.805 20.668 1.00 0.00 WT3 H ATOM 46471 OH2 TIP3 8349 37.920 54.728 15.400 1.00 0.00 WT3 O ATOM 46472 H1 TIP3 8349 38.793 55.065 15.600 1.00 0.00 WT3 H ATOM 46473 H2 TIP3 8349 37.640 54.295 16.206 1.00 0.00 WT3 H ATOM 46474 OH2 TIP3 8354 25.525 68.744 9.151 1.00 0.00 WT3 O ATOM 46475 H1 TIP3 8354 26.471 68.805 9.283 1.00 0.00 WT3 H ATOM 46476 H2 TIP3 8354 25.296 69.547 8.682 1.00 0.00 WT3 H ATOM 46477 OH2 TIP3 8355 83.997 76.551 65.698 1.00 0.00 WT3 O ATOM 46478 H1 TIP3 8355 84.554 76.891 64.997 1.00 0.00 WT3 H ATOM 46479 H2 TIP3 8355 83.692 77.332 66.161 1.00 0.00 WT3 H ATOM 46480 OH2 TIP3 8359 52.441 38.965 30.092 1.00 0.00 WT3 O ATOM 46481 H1 TIP3 8359 52.658 38.700 29.199 1.00 0.00 WT3 H ATOM 46482 H2 TIP3 8359 51.761 39.631 29.987 1.00 0.00 WT3 H ATOM 46483 OH2 TIP3 8360 63.218 73.932 59.714 1.00 0.00 WT3 O ATOM 46484 H1 TIP3 8360 63.019 74.825 59.996 1.00 0.00 WT3 H ATOM 46485 H2 TIP3 8360 64.084 73.994 59.313 1.00 0.00 WT3 H ATOM 46486 OH2 TIP3 8364 34.934 58.017 -11.847 1.00 0.00 WT3 O ATOM 46487 H1 TIP3 8364 35.853 57.904 -11.606 1.00 0.00 WT3 H ATOM 46488 H2 TIP3 8364 34.447 57.763 -11.063 1.00 0.00 WT3 H ATOM 46489 OH2 TIP3 8365 87.047 76.869 16.985 1.00 0.00 WT3 O ATOM 46490 H1 TIP3 8365 86.732 77.711 17.313 1.00 0.00 WT3 H ATOM 46491 H2 TIP3 8365 87.095 76.312 17.763 1.00 0.00 WT3 H ATOM 46492 OH2 TIP3 8369 31.049 42.092 54.962 1.00 0.00 WT3 O ATOM 46493 H1 TIP3 8369 30.450 41.466 54.555 1.00 0.00 WT3 H ATOM 46494 H2 TIP3 8369 30.841 42.928 54.547 1.00 0.00 WT3 H ATOM 46495 OH2 TIP3 8370 72.197 4.791 15.719 1.00 0.00 WT3 O ATOM 46496 H1 TIP3 8370 72.921 5.164 15.216 1.00 0.00 WT3 H ATOM 46497 H2 TIP3 8370 72.308 3.844 15.634 1.00 0.00 WT3 H ATOM 46498 OH2 TIP3 8372 25.522 17.159 49.474 1.00 0.00 WT3 O ATOM 46499 H1 TIP3 8372 25.391 17.749 48.732 1.00 0.00 WT3 H ATOM 46500 H2 TIP3 8372 25.916 17.709 50.151 1.00 0.00 WT3 H ATOM 46501 OH2 TIP3 8375 24.694 78.084 59.644 1.00 0.00 WT3 O ATOM 46502 H1 TIP3 8375 24.816 77.936 60.581 1.00 0.00 WT3 H ATOM 46503 H2 TIP3 8375 23.765 77.909 59.491 1.00 0.00 WT3 H ATOM 46504 OH2 TIP3 8376 80.850 68.091 12.907 1.00 0.00 WT3 O ATOM 46505 H1 TIP3 8376 80.841 67.283 13.419 1.00 0.00 WT3 H ATOM 46506 H2 TIP3 8376 80.563 67.825 12.033 1.00 0.00 WT3 H ATOM 46507 OH2 TIP3 8377 64.163 16.626 56.210 1.00 0.00 WT3 O ATOM 46508 H1 TIP3 8377 63.451 17.004 56.726 1.00 0.00 WT3 H ATOM 46509 H2 TIP3 8377 64.066 15.681 56.322 1.00 0.00 WT3 H ATOM 46510 OH2 TIP3 8378 70.255 45.119 -8.548 1.00 0.00 WT3 O ATOM 46511 H1 TIP3 8378 69.307 44.983 -8.535 1.00 0.00 WT3 H ATOM 46512 H2 TIP3 8378 70.607 44.404 -8.019 1.00 0.00 WT3 H ATOM 46513 OH2 TIP3 8381 68.337 67.950 13.412 1.00 0.00 WT3 O ATOM 46514 H1 TIP3 8381 68.672 67.060 13.520 1.00 0.00 WT3 H ATOM 46515 H2 TIP3 8381 69.121 68.498 13.372 1.00 0.00 WT3 H ATOM 46516 OH2 TIP3 8382 30.451 77.249 56.181 1.00 0.00 WT3 O ATOM 46517 H1 TIP3 8382 30.537 76.593 56.873 1.00 0.00 WT3 H ATOM 46518 H2 TIP3 8382 30.871 76.850 55.419 1.00 0.00 WT3 H ATOM 46519 OH2 TIP3 8384 37.416 52.427 17.106 1.00 0.00 WT3 O ATOM 46520 H1 TIP3 8384 38.239 51.939 17.091 1.00 0.00 WT3 H ATOM 46521 H2 TIP3 8384 37.536 53.080 17.795 1.00 0.00 WT3 H ATOM 46522 OH2 TIP3 8386 31.494 8.517 -13.518 1.00 0.00 WT3 O ATOM 46523 H1 TIP3 8386 31.774 7.689 -13.907 1.00 0.00 WT3 H ATOM 46524 H2 TIP3 8386 30.988 8.261 -12.747 1.00 0.00 WT3 H ATOM 46525 OH2 TIP3 8388 52.700 90.061 -1.096 1.00 0.00 WT3 O ATOM 46526 H1 TIP3 8388 52.411 89.625 -1.897 1.00 0.00 WT3 H ATOM 46527 H2 TIP3 8388 53.655 90.008 -1.125 1.00 0.00 WT3 H ATOM 46528 OH2 TIP3 8389 89.982 67.215 42.056 1.00 0.00 WT3 O ATOM 46529 H1 TIP3 8389 89.291 66.582 42.249 1.00 0.00 WT3 H ATOM 46530 H2 TIP3 8389 90.795 66.717 42.146 1.00 0.00 WT3 H ATOM 46531 OH2 TIP3 8391 60.411 66.807 50.197 1.00 0.00 WT3 O ATOM 46532 H1 TIP3 8391 60.124 66.757 49.285 1.00 0.00 WT3 H ATOM 46533 H2 TIP3 8391 60.182 65.955 50.568 1.00 0.00 WT3 H ATOM 46534 OH2 TIP3 8392 71.444 81.520 57.460 1.00 0.00 WT3 O ATOM 46535 H1 TIP3 8392 71.798 80.865 58.061 1.00 0.00 WT3 H ATOM 46536 H2 TIP3 8392 72.195 81.791 56.931 1.00 0.00 WT3 H ATOM 46537 OH2 TIP3 8393 65.151 44.806 1.217 1.00 0.00 WT3 O ATOM 46538 H1 TIP3 8393 65.236 45.461 0.524 1.00 0.00 WT3 H ATOM 46539 H2 TIP3 8393 65.996 44.821 1.667 1.00 0.00 WT3 H ATOM 46540 OH2 TIP3 8394 85.863 55.345 14.793 1.00 0.00 WT3 O ATOM 46541 H1 TIP3 8394 86.787 55.279 15.035 1.00 0.00 WT3 H ATOM 46542 H2 TIP3 8394 85.526 56.066 15.325 1.00 0.00 WT3 H ATOM 46543 OH2 TIP3 8396 69.751 70.512 20.322 1.00 0.00 WT3 O ATOM 46544 H1 TIP3 8396 69.527 70.612 19.397 1.00 0.00 WT3 H ATOM 46545 H2 TIP3 8396 69.733 69.567 20.473 1.00 0.00 WT3 H ATOM 46546 OH2 TIP3 8397 56.687 72.584 52.606 1.00 0.00 WT3 O ATOM 46547 H1 TIP3 8397 57.373 72.666 53.269 1.00 0.00 WT3 H ATOM 46548 H2 TIP3 8397 57.062 72.005 51.943 1.00 0.00 WT3 H ATOM 46549 OH2 TIP3 8399 83.178 46.681 56.905 1.00 0.00 WT3 O ATOM 46550 H1 TIP3 8399 82.810 46.924 57.754 1.00 0.00 WT3 H ATOM 46551 H2 TIP3 8399 83.787 47.390 56.695 1.00 0.00 WT3 H ATOM 46552 OH2 TIP3 8401 33.360 35.230 -14.894 1.00 0.00 WT3 O ATOM 46553 H1 TIP3 8401 32.409 35.323 -14.830 1.00 0.00 WT3 H ATOM 46554 H2 TIP3 8401 33.518 35.017 -15.814 1.00 0.00 WT3 H ATOM 46555 OH2 TIP3 8402 86.314 55.180 -4.729 1.00 0.00 WT3 O ATOM 46556 H1 TIP3 8402 86.082 55.445 -3.839 1.00 0.00 WT3 H ATOM 46557 H2 TIP3 8402 86.344 54.224 -4.695 1.00 0.00 WT3 H ATOM 46558 OH2 TIP3 8403 71.577 53.140 36.212 1.00 0.00 WT3 O ATOM 46559 H1 TIP3 8403 71.885 53.609 36.987 1.00 0.00 WT3 H ATOM 46560 H2 TIP3 8403 70.830 53.653 35.902 1.00 0.00 WT3 H ATOM 46561 OH2 TIP3 8404 72.567 83.164 63.806 1.00 0.00 WT3 O ATOM 46562 H1 TIP3 8404 73.254 82.499 63.747 1.00 0.00 WT3 H ATOM 46563 H2 TIP3 8404 72.996 83.977 63.539 1.00 0.00 WT3 H ATOM 46564 OH2 TIP3 8406 62.292 74.630 2.808 1.00 0.00 WT3 O ATOM 46565 H1 TIP3 8406 62.114 73.943 3.450 1.00 0.00 WT3 H ATOM 46566 H2 TIP3 8406 61.833 74.343 2.017 1.00 0.00 WT3 H ATOM 46567 OH2 TIP3 8408 27.598 42.555 -8.662 1.00 0.00 WT3 O ATOM 46568 H1 TIP3 8408 28.013 41.729 -8.412 1.00 0.00 WT3 H ATOM 46569 H2 TIP3 8408 27.591 43.072 -7.856 1.00 0.00 WT3 H ATOM 46570 OH2 TIP3 8409 41.536 0.220 21.719 1.00 0.00 WT3 O ATOM 46571 H1 TIP3 8409 42.049 -0.281 21.083 1.00 0.00 WT3 H ATOM 46572 H2 TIP3 8409 40.657 0.257 21.342 1.00 0.00 WT3 H ATOM 46573 OH2 TIP3 8410 29.452 48.643 21.566 1.00 0.00 WT3 O ATOM 46574 H1 TIP3 8410 30.316 48.787 21.181 1.00 0.00 WT3 H ATOM 46575 H2 TIP3 8410 29.623 48.128 22.355 1.00 0.00 WT3 H ATOM 46576 OH2 TIP3 8411 37.544 38.881 21.949 1.00 0.00 WT3 O ATOM 46577 H1 TIP3 8411 37.286 39.702 22.366 1.00 0.00 WT3 H ATOM 46578 H2 TIP3 8411 38.114 38.455 22.589 1.00 0.00 WT3 H ATOM 46579 OH2 TIP3 8412 63.590 25.501 59.529 1.00 0.00 WT3 O ATOM 46580 H1 TIP3 8412 62.849 26.071 59.736 1.00 0.00 WT3 H ATOM 46581 H2 TIP3 8412 63.327 24.639 59.851 1.00 0.00 WT3 H ATOM 46582 OH2 TIP3 8413 47.278 53.786 49.346 1.00 0.00 WT3 O ATOM 46583 H1 TIP3 8413 47.261 54.676 48.994 1.00 0.00 WT3 H ATOM 46584 H2 TIP3 8413 47.114 53.224 48.589 1.00 0.00 WT3 H ATOM 46585 OH2 TIP3 8414 36.936 86.751 33.758 1.00 0.00 WT3 O ATOM 46586 H1 TIP3 8414 37.019 87.285 32.969 1.00 0.00 WT3 H ATOM 46587 H2 TIP3 8414 36.138 86.241 33.620 1.00 0.00 WT3 H ATOM 46588 OH2 TIP3 8415 33.224 34.867 18.057 1.00 0.00 WT3 O ATOM 46589 H1 TIP3 8415 33.371 35.289 18.904 1.00 0.00 WT3 H ATOM 46590 H2 TIP3 8415 34.102 34.728 17.703 1.00 0.00 WT3 H ATOM 46591 OH2 TIP3 8416 84.882 72.610 60.808 1.00 0.00 WT3 O ATOM 46592 H1 TIP3 8416 85.254 73.213 60.164 1.00 0.00 WT3 H ATOM 46593 H2 TIP3 8416 84.539 71.885 60.286 1.00 0.00 WT3 H ATOM 46594 OH2 TIP3 8419 34.275 19.985 20.518 1.00 0.00 WT3 O ATOM 46595 H1 TIP3 8419 34.618 19.650 19.690 1.00 0.00 WT3 H ATOM 46596 H2 TIP3 8419 34.477 20.920 20.502 1.00 0.00 WT3 H ATOM 46597 OH2 TIP3 8420 37.992 90.062 -12.378 1.00 0.00 WT3 O ATOM 46598 H1 TIP3 8420 37.726 90.692 -13.047 1.00 0.00 WT3 H ATOM 46599 H2 TIP3 8420 38.870 90.342 -12.119 1.00 0.00 WT3 H ATOM 46600 OH2 TIP3 8421 89.729 44.102 13.706 1.00 0.00 WT3 O ATOM 46601 H1 TIP3 8421 90.231 43.972 14.510 1.00 0.00 WT3 H ATOM 46602 H2 TIP3 8421 88.843 44.305 14.006 1.00 0.00 WT3 H ATOM 46603 OH2 TIP3 8422 80.894 50.101 25.923 1.00 0.00 WT3 O ATOM 46604 H1 TIP3 8422 80.073 49.618 25.828 1.00 0.00 WT3 H ATOM 46605 H2 TIP3 8422 80.637 50.935 26.317 1.00 0.00 WT3 H ATOM 46606 OH2 TIP3 8423 86.430 64.379 45.838 1.00 0.00 WT3 O ATOM 46607 H1 TIP3 8423 86.010 64.207 44.995 1.00 0.00 WT3 H ATOM 46608 H2 TIP3 8423 86.047 65.205 46.133 1.00 0.00 WT3 H ATOM 46609 OH2 TIP3 8424 52.887 49.670 59.298 1.00 0.00 WT3 O ATOM 46610 H1 TIP3 8424 52.937 50.233 60.070 1.00 0.00 WT3 H ATOM 46611 H2 TIP3 8424 53.496 50.064 58.674 1.00 0.00 WT3 H ATOM 46612 OH2 TIP3 8425 47.802 49.603 57.041 1.00 0.00 WT3 O ATOM 46613 H1 TIP3 8425 48.752 49.657 57.145 1.00 0.00 WT3 H ATOM 46614 H2 TIP3 8425 47.664 49.608 56.094 1.00 0.00 WT3 H ATOM 46615 OH2 TIP3 8426 79.871 32.249 -9.162 1.00 0.00 WT3 O ATOM 46616 H1 TIP3 8426 79.839 31.970 -10.077 1.00 0.00 WT3 H ATOM 46617 H2 TIP3 8426 79.614 31.473 -8.665 1.00 0.00 WT3 H ATOM 46618 OH2 TIP3 8427 71.390 2.190 -15.433 1.00 0.00 WT3 O ATOM 46619 H1 TIP3 8427 71.439 2.955 -14.860 1.00 0.00 WT3 H ATOM 46620 H2 TIP3 8427 71.184 1.463 -14.845 1.00 0.00 WT3 H ATOM 46621 OH2 TIP3 8428 69.842 24.169 -1.127 1.00 0.00 WT3 O ATOM 46622 H1 TIP3 8428 70.571 24.020 -0.525 1.00 0.00 WT3 H ATOM 46623 H2 TIP3 8428 70.084 24.964 -1.604 1.00 0.00 WT3 H ATOM 46624 OH2 TIP3 8429 82.005 53.820 -3.120 1.00 0.00 WT3 O ATOM 46625 H1 TIP3 8429 82.643 53.772 -2.408 1.00 0.00 WT3 H ATOM 46626 H2 TIP3 8429 81.570 54.663 -2.995 1.00 0.00 WT3 H ATOM 46627 OH2 TIP3 8430 40.453 5.943 40.921 1.00 0.00 WT3 O ATOM 46628 H1 TIP3 8430 41.353 6.002 41.242 1.00 0.00 WT3 H ATOM 46629 H2 TIP3 8430 40.149 6.850 40.891 1.00 0.00 WT3 H ATOM 46630 OH2 TIP3 8431 55.537 79.958 -9.076 1.00 0.00 WT3 O ATOM 46631 H1 TIP3 8431 55.665 80.091 -8.136 1.00 0.00 WT3 H ATOM 46632 H2 TIP3 8431 56.374 79.612 -9.386 1.00 0.00 WT3 H ATOM 46633 OH2 TIP3 8432 73.600 77.780 7.346 1.00 0.00 WT3 O ATOM 46634 H1 TIP3 8432 72.771 77.391 7.624 1.00 0.00 WT3 H ATOM 46635 H2 TIP3 8432 74.228 77.509 8.016 1.00 0.00 WT3 H ATOM 46636 OH2 TIP3 8433 57.029 5.814 50.255 1.00 0.00 WT3 O ATOM 46637 H1 TIP3 8433 57.780 6.343 50.525 1.00 0.00 WT3 H ATOM 46638 H2 TIP3 8433 56.270 6.277 50.609 1.00 0.00 WT3 H ATOM 46639 OH2 TIP3 8434 87.447 34.364 56.235 1.00 0.00 WT3 O ATOM 46640 H1 TIP3 8434 87.148 33.681 56.835 1.00 0.00 WT3 H ATOM 46641 H2 TIP3 8434 88.402 34.294 56.248 1.00 0.00 WT3 H ATOM 46642 OH2 TIP3 8435 68.503 83.827 55.175 1.00 0.00 WT3 O ATOM 46643 H1 TIP3 8435 68.735 84.028 56.081 1.00 0.00 WT3 H ATOM 46644 H2 TIP3 8435 69.028 83.056 54.958 1.00 0.00 WT3 H ATOM 46645 OH2 TIP3 8437 27.779 60.677 52.582 1.00 0.00 WT3 O ATOM 46646 H1 TIP3 8437 28.103 60.690 51.682 1.00 0.00 WT3 H ATOM 46647 H2 TIP3 8437 26.998 61.229 52.565 1.00 0.00 WT3 H ATOM 46648 OH2 TIP3 8438 88.041 8.462 37.170 1.00 0.00 WT3 O ATOM 46649 H1 TIP3 8438 88.776 8.977 36.837 1.00 0.00 WT3 H ATOM 46650 H2 TIP3 8438 87.733 7.967 36.411 1.00 0.00 WT3 H ATOM 46651 OH2 TIP3 8439 75.228 95.770 49.280 1.00 0.00 WT3 O ATOM 46652 H1 TIP3 8439 74.685 95.067 49.636 1.00 0.00 WT3 H ATOM 46653 H2 TIP3 8439 75.935 95.872 49.917 1.00 0.00 WT3 H ATOM 46654 OH2 TIP3 8441 64.614 63.925 61.184 1.00 0.00 WT3 O ATOM 46655 H1 TIP3 8441 65.462 64.157 61.563 1.00 0.00 WT3 H ATOM 46656 H2 TIP3 8441 64.789 63.822 60.249 1.00 0.00 WT3 H ATOM 46657 OH2 TIP3 8442 85.702 35.496 -13.904 1.00 0.00 WT3 O ATOM 46658 H1 TIP3 8442 84.781 35.743 -13.986 1.00 0.00 WT3 H ATOM 46659 H2 TIP3 8442 86.182 36.224 -14.299 1.00 0.00 WT3 H ATOM 46660 OH2 TIP3 8443 74.087 78.619 -5.914 1.00 0.00 WT3 O ATOM 46661 H1 TIP3 8443 73.634 78.318 -5.126 1.00 0.00 WT3 H ATOM 46662 H2 TIP3 8443 74.669 79.313 -5.606 1.00 0.00 WT3 H ATOM 46663 OH2 TIP3 8444 31.296 1.595 15.338 1.00 0.00 WT3 O ATOM 46664 H1 TIP3 8444 31.137 1.295 14.443 1.00 0.00 WT3 H ATOM 46665 H2 TIP3 8444 32.049 1.082 15.632 1.00 0.00 WT3 H ATOM 46666 OH2 TIP3 8445 35.946 68.714 6.519 1.00 0.00 WT3 O ATOM 46667 H1 TIP3 8445 35.448 69.181 7.190 1.00 0.00 WT3 H ATOM 46668 H2 TIP3 8445 36.291 67.943 6.970 1.00 0.00 WT3 H ATOM 46669 OH2 TIP3 8446 54.192 67.808 17.815 1.00 0.00 WT3 O ATOM 46670 H1 TIP3 8446 55.111 67.794 17.547 1.00 0.00 WT3 H ATOM 46671 H2 TIP3 8446 53.709 67.558 17.027 1.00 0.00 WT3 H ATOM 46672 OH2 TIP3 8447 52.180 53.437 -13.283 1.00 0.00 WT3 O ATOM 46673 H1 TIP3 8447 52.737 53.037 -13.950 1.00 0.00 WT3 H ATOM 46674 H2 TIP3 8447 52.228 54.377 -13.462 1.00 0.00 WT3 H ATOM 46675 OH2 TIP3 8448 21.377 79.660 -18.449 1.00 0.00 WT3 O ATOM 46676 H1 TIP3 8448 21.381 78.754 -18.138 1.00 0.00 WT3 H ATOM 46677 H2 TIP3 8448 20.998 79.611 -19.326 1.00 0.00 WT3 H ATOM 46678 OH2 TIP3 8450 23.732 64.501 7.754 1.00 0.00 WT3 O ATOM 46679 H1 TIP3 8450 23.835 64.867 8.632 1.00 0.00 WT3 H ATOM 46680 H2 TIP3 8450 23.437 65.238 7.219 1.00 0.00 WT3 H ATOM 46681 OH2 TIP3 8451 48.098 39.272 25.657 1.00 0.00 WT3 O ATOM 46682 H1 TIP3 8451 48.703 39.515 24.956 1.00 0.00 WT3 H ATOM 46683 H2 TIP3 8451 48.151 38.317 25.698 1.00 0.00 WT3 H ATOM 46684 OH2 TIP3 8453 74.623 26.398 -17.164 1.00 0.00 WT3 O ATOM 46685 H1 TIP3 8453 74.549 26.475 -16.212 1.00 0.00 WT3 H ATOM 46686 H2 TIP3 8453 75.116 27.174 -17.429 1.00 0.00 WT3 H ATOM 46687 OH2 TIP3 8455 32.616 80.246 4.519 1.00 0.00 WT3 O ATOM 46688 H1 TIP3 8455 32.082 80.091 3.740 1.00 0.00 WT3 H ATOM 46689 H2 TIP3 8455 33.387 80.711 4.194 1.00 0.00 WT3 H ATOM 46690 OH2 TIP3 8456 66.183 54.328 -6.644 1.00 0.00 WT3 O ATOM 46691 H1 TIP3 8456 65.320 54.136 -7.014 1.00 0.00 WT3 H ATOM 46692 H2 TIP3 8456 66.565 54.966 -7.247 1.00 0.00 WT3 H ATOM 46693 OH2 TIP3 8457 51.780 84.244 -13.944 1.00 0.00 WT3 O ATOM 46694 H1 TIP3 8457 51.094 84.401 -13.295 1.00 0.00 WT3 H ATOM 46695 H2 TIP3 8457 52.554 84.025 -13.426 1.00 0.00 WT3 H ATOM 46696 OH2 TIP3 8458 87.837 83.593 25.416 1.00 0.00 WT3 O ATOM 46697 H1 TIP3 8458 88.263 84.397 25.118 1.00 0.00 WT3 H ATOM 46698 H2 TIP3 8458 87.049 83.525 24.876 1.00 0.00 WT3 H ATOM 46699 OH2 TIP3 8459 72.788 72.743 25.299 1.00 0.00 WT3 O ATOM 46700 H1 TIP3 8459 72.469 73.586 25.621 1.00 0.00 WT3 H ATOM 46701 H2 TIP3 8459 72.037 72.360 24.845 1.00 0.00 WT3 H ATOM 46702 OH2 TIP3 8461 23.589 50.030 -20.251 1.00 0.00 WT3 O ATOM 46703 H1 TIP3 8461 22.950 49.502 -19.773 1.00 0.00 WT3 H ATOM 46704 H2 TIP3 8461 24.341 50.090 -19.662 1.00 0.00 WT3 H ATOM 46705 OH2 TIP3 8462 45.947 29.110 54.830 1.00 0.00 WT3 O ATOM 46706 H1 TIP3 8462 46.121 28.655 54.006 1.00 0.00 WT3 H ATOM 46707 H2 TIP3 8462 46.381 29.957 54.733 1.00 0.00 WT3 H ATOM 46708 OH2 TIP3 8463 83.767 79.587 -7.895 1.00 0.00 WT3 O ATOM 46709 H1 TIP3 8463 83.274 79.429 -7.090 1.00 0.00 WT3 H ATOM 46710 H2 TIP3 8463 84.217 80.418 -7.741 1.00 0.00 WT3 H ATOM 46711 OH2 TIP3 8464 53.529 35.225 -14.975 1.00 0.00 WT3 O ATOM 46712 H1 TIP3 8464 53.390 36.101 -14.613 1.00 0.00 WT3 H ATOM 46713 H2 TIP3 8464 53.023 34.647 -14.403 1.00 0.00 WT3 H ATOM 46714 OH2 TIP3 8465 86.964 45.710 -12.389 1.00 0.00 WT3 O ATOM 46715 H1 TIP3 8465 87.829 45.305 -12.443 1.00 0.00 WT3 H ATOM 46716 H2 TIP3 8465 86.372 45.064 -12.775 1.00 0.00 WT3 H ATOM 46717 OH2 TIP3 8466 65.568 37.170 6.577 1.00 0.00 WT3 O ATOM 46718 H1 TIP3 8466 64.623 37.098 6.706 1.00 0.00 WT3 H ATOM 46719 H2 TIP3 8466 65.745 38.110 6.612 1.00 0.00 WT3 H ATOM 46720 OH2 TIP3 8467 44.267 60.646 46.173 1.00 0.00 WT3 O ATOM 46721 H1 TIP3 8467 43.951 61.485 46.510 1.00 0.00 WT3 H ATOM 46722 H2 TIP3 8467 44.943 60.882 45.538 1.00 0.00 WT3 H ATOM 46723 OH2 TIP3 8468 28.182 82.476 50.326 1.00 0.00 WT3 O ATOM 46724 H1 TIP3 8468 28.119 83.375 50.001 1.00 0.00 WT3 H ATOM 46725 H2 TIP3 8468 27.275 82.181 50.395 1.00 0.00 WT3 H ATOM 46726 OH2 TIP3 8469 65.219 58.047 36.707 1.00 0.00 WT3 O ATOM 46727 H1 TIP3 8469 64.581 58.523 37.239 1.00 0.00 WT3 H ATOM 46728 H2 TIP3 8469 64.775 57.233 36.471 1.00 0.00 WT3 H ATOM 46729 OH2 TIP3 8470 54.445 49.734 -10.031 1.00 0.00 WT3 O ATOM 46730 H1 TIP3 8470 53.707 49.264 -9.644 1.00 0.00 WT3 H ATOM 46731 H2 TIP3 8470 54.123 50.627 -10.153 1.00 0.00 WT3 H ATOM 46732 OH2 TIP3 8472 30.919 82.594 53.993 1.00 0.00 WT3 O ATOM 46733 H1 TIP3 8472 30.372 81.888 53.648 1.00 0.00 WT3 H ATOM 46734 H2 TIP3 8472 30.305 83.182 54.432 1.00 0.00 WT3 H ATOM 46735 OH2 TIP3 8473 71.449 34.076 10.169 1.00 0.00 WT3 O ATOM 46736 H1 TIP3 8473 70.846 33.886 10.887 1.00 0.00 WT3 H ATOM 46737 H2 TIP3 8473 71.075 34.846 9.739 1.00 0.00 WT3 H ATOM 46738 OH2 TIP3 8474 71.121 59.172 47.767 1.00 0.00 WT3 O ATOM 46739 H1 TIP3 8474 71.131 58.751 46.907 1.00 0.00 WT3 H ATOM 46740 H2 TIP3 8474 71.225 60.104 47.578 1.00 0.00 WT3 H ATOM 46741 OH2 TIP3 8475 23.861 51.756 14.823 1.00 0.00 WT3 O ATOM 46742 H1 TIP3 8475 24.712 52.057 14.505 1.00 0.00 WT3 H ATOM 46743 H2 TIP3 8475 24.052 50.940 15.286 1.00 0.00 WT3 H ATOM 46744 OH2 TIP3 8476 81.729 80.555 35.501 1.00 0.00 WT3 O ATOM 46745 H1 TIP3 8476 81.547 80.927 34.638 1.00 0.00 WT3 H ATOM 46746 H2 TIP3 8476 81.201 79.757 35.533 1.00 0.00 WT3 H ATOM 46747 OH2 TIP3 8477 23.546 88.090 11.349 1.00 0.00 WT3 O ATOM 46748 H1 TIP3 8477 24.198 88.582 11.848 1.00 0.00 WT3 H ATOM 46749 H2 TIP3 8477 23.983 87.267 11.129 1.00 0.00 WT3 H ATOM 46750 OH2 TIP3 8478 20.972 84.629 47.623 1.00 0.00 WT3 O ATOM 46751 H1 TIP3 8478 21.590 84.915 48.296 1.00 0.00 WT3 H ATOM 46752 H2 TIP3 8478 21.389 84.870 46.796 1.00 0.00 WT3 H ATOM 46753 OH2 TIP3 8479 90.858 49.310 40.592 1.00 0.00 WT3 O ATOM 46754 H1 TIP3 8479 90.649 48.931 39.738 1.00 0.00 WT3 H ATOM 46755 H2 TIP3 8479 90.041 49.250 41.088 1.00 0.00 WT3 H ATOM 46756 OH2 TIP3 8480 80.810 50.186 32.043 1.00 0.00 WT3 O ATOM 46757 H1 TIP3 8480 81.348 49.585 32.558 1.00 0.00 WT3 H ATOM 46758 H2 TIP3 8480 80.934 51.038 32.461 1.00 0.00 WT3 H ATOM 46759 OH2 TIP3 8481 75.238 24.134 50.667 1.00 0.00 WT3 O ATOM 46760 H1 TIP3 8481 75.559 24.984 50.366 1.00 0.00 WT3 H ATOM 46761 H2 TIP3 8481 74.449 23.978 50.148 1.00 0.00 WT3 H ATOM 46762 OH2 TIP3 8482 46.901 92.638 -17.075 1.00 0.00 WT3 O ATOM 46763 H1 TIP3 8482 46.022 92.984 -17.230 1.00 0.00 WT3 H ATOM 46764 H2 TIP3 8482 47.114 92.156 -17.874 1.00 0.00 WT3 H ATOM 46765 OH2 TIP3 8483 52.075 66.341 63.666 1.00 0.00 WT3 O ATOM 46766 H1 TIP3 8483 52.146 66.897 62.890 1.00 0.00 WT3 H ATOM 46767 H2 TIP3 8483 51.467 66.806 64.240 1.00 0.00 WT3 H ATOM 46768 OH2 TIP3 8484 51.005 82.885 61.763 1.00 0.00 WT3 O ATOM 46769 H1 TIP3 8484 51.463 82.520 62.519 1.00 0.00 WT3 H ATOM 46770 H2 TIP3 8484 51.334 83.781 61.693 1.00 0.00 WT3 H ATOM 46771 OH2 TIP3 8485 66.705 92.252 -16.238 1.00 0.00 WT3 O ATOM 46772 H1 TIP3 8485 66.850 92.510 -17.148 1.00 0.00 WT3 H ATOM 46773 H2 TIP3 8485 67.513 92.497 -15.787 1.00 0.00 WT3 H ATOM 46774 OH2 TIP3 8486 31.839 64.071 41.294 1.00 0.00 WT3 O ATOM 46775 H1 TIP3 8486 32.616 64.327 41.791 1.00 0.00 WT3 H ATOM 46776 H2 TIP3 8486 31.783 64.714 40.587 1.00 0.00 WT3 H ATOM 46777 OH2 TIP3 8487 81.263 64.729 64.746 1.00 0.00 WT3 O ATOM 46778 H1 TIP3 8487 81.028 64.997 63.857 1.00 0.00 WT3 H ATOM 46779 H2 TIP3 8487 81.424 63.788 64.678 1.00 0.00 WT3 H ATOM 46780 OH2 TIP3 8489 37.920 46.620 53.682 1.00 0.00 WT3 O ATOM 46781 H1 TIP3 8489 38.567 46.426 53.004 1.00 0.00 WT3 H ATOM 46782 H2 TIP3 8489 37.430 47.367 53.339 1.00 0.00 WT3 H ATOM 46783 OH2 TIP3 8490 53.689 10.496 47.907 1.00 0.00 WT3 O ATOM 46784 H1 TIP3 8490 52.816 10.640 48.274 1.00 0.00 WT3 H ATOM 46785 H2 TIP3 8490 53.903 9.594 48.145 1.00 0.00 WT3 H ATOM 46786 OH2 TIP3 8491 50.349 96.151 54.591 1.00 0.00 WT3 O ATOM 46787 H1 TIP3 8491 49.912 95.379 54.230 1.00 0.00 WT3 H ATOM 46788 H2 TIP3 8491 51.230 96.125 54.218 1.00 0.00 WT3 H ATOM 46789 OH2 TIP3 8492 75.371 16.760 -5.512 1.00 0.00 WT3 O ATOM 46790 H1 TIP3 8492 74.548 17.041 -5.112 1.00 0.00 WT3 H ATOM 46791 H2 TIP3 8492 75.732 16.123 -4.895 1.00 0.00 WT3 H ATOM 46792 OH2 TIP3 8494 71.769 94.218 -5.975 1.00 0.00 WT3 O ATOM 46793 H1 TIP3 8494 71.925 93.628 -5.237 1.00 0.00 WT3 H ATOM 46794 H2 TIP3 8494 71.141 93.751 -6.526 1.00 0.00 WT3 H ATOM 46795 OH2 TIP3 8495 72.323 42.128 56.566 1.00 0.00 WT3 O ATOM 46796 H1 TIP3 8495 71.402 41.927 56.732 1.00 0.00 WT3 H ATOM 46797 H2 TIP3 8495 72.302 42.870 55.962 1.00 0.00 WT3 H ATOM 46798 OH2 TIP3 8496 77.602 91.476 20.052 1.00 0.00 WT3 O ATOM 46799 H1 TIP3 8496 78.282 92.074 20.361 1.00 0.00 WT3 H ATOM 46800 H2 TIP3 8496 77.914 90.607 20.306 1.00 0.00 WT3 H ATOM 46801 OH2 TIP3 8497 57.457 71.116 40.194 1.00 0.00 WT3 O ATOM 46802 H1 TIP3 8497 57.388 71.520 39.329 1.00 0.00 WT3 H ATOM 46803 H2 TIP3 8497 56.595 70.730 40.349 1.00 0.00 WT3 H ATOM 46804 OH2 TIP3 8498 72.671 83.412 0.940 1.00 0.00 WT3 O ATOM 46805 H1 TIP3 8498 73.108 82.732 0.427 1.00 0.00 WT3 H ATOM 46806 H2 TIP3 8498 72.100 83.856 0.313 1.00 0.00 WT3 H ATOM 46807 OH2 TIP3 8499 20.234 28.396 -12.230 1.00 0.00 WT3 O ATOM 46808 H1 TIP3 8499 19.852 27.753 -11.632 1.00 0.00 WT3 H ATOM 46809 H2 TIP3 8499 20.702 27.871 -12.879 1.00 0.00 WT3 H ATOM 46810 OH2 TIP3 8501 53.425 19.715 60.424 1.00 0.00 WT3 O ATOM 46811 H1 TIP3 8501 53.960 18.928 60.527 1.00 0.00 WT3 H ATOM 46812 H2 TIP3 8501 53.321 19.813 59.478 1.00 0.00 WT3 H ATOM 46813 OH2 TIP3 8502 31.173 83.114 -14.453 1.00 0.00 WT3 O ATOM 46814 H1 TIP3 8502 31.858 83.782 -14.439 1.00 0.00 WT3 H ATOM 46815 H2 TIP3 8502 31.607 82.318 -14.146 1.00 0.00 WT3 H ATOM 46816 OH2 TIP3 8503 59.834 50.156 39.146 1.00 0.00 WT3 O ATOM 46817 H1 TIP3 8503 59.706 49.753 38.287 1.00 0.00 WT3 H ATOM 46818 H2 TIP3 8503 60.109 51.052 38.953 1.00 0.00 WT3 H ATOM 46819 OH2 TIP3 8505 29.747 23.768 -16.544 1.00 0.00 WT3 O ATOM 46820 H1 TIP3 8505 29.428 24.548 -16.997 1.00 0.00 WT3 H ATOM 46821 H2 TIP3 8505 29.847 24.043 -15.633 1.00 0.00 WT3 H ATOM 46822 OH2 TIP3 8507 70.016 9.370 0.311 1.00 0.00 WT3 O ATOM 46823 H1 TIP3 8507 69.361 9.961 0.681 1.00 0.00 WT3 H ATOM 46824 H2 TIP3 8507 70.449 8.984 1.073 1.00 0.00 WT3 H ATOM 46825 OH2 TIP3 8508 84.665 96.458 -15.508 1.00 0.00 WT3 O ATOM 46826 H1 TIP3 8508 84.962 96.371 -14.602 1.00 0.00 WT3 H ATOM 46827 H2 TIP3 8508 85.247 97.114 -15.890 1.00 0.00 WT3 H ATOM 46828 OH2 TIP3 8509 42.721 80.642 -8.689 1.00 0.00 WT3 O ATOM 46829 H1 TIP3 8509 43.619 80.314 -8.641 1.00 0.00 WT3 H ATOM 46830 H2 TIP3 8509 42.791 81.568 -8.458 1.00 0.00 WT3 H ATOM 46831 OH2 TIP3 8510 30.972 76.222 23.190 1.00 0.00 WT3 O ATOM 46832 H1 TIP3 8510 30.290 76.623 22.651 1.00 0.00 WT3 H ATOM 46833 H2 TIP3 8510 31.724 76.143 22.603 1.00 0.00 WT3 H ATOM 46834 OH2 TIP3 8512 35.665 6.988 -11.822 1.00 0.00 WT3 O ATOM 46835 H1 TIP3 8512 36.052 6.263 -12.313 1.00 0.00 WT3 H ATOM 46836 H2 TIP3 8512 36.394 7.590 -11.669 1.00 0.00 WT3 H ATOM 46837 OH2 TIP3 8513 55.039 72.166 -6.376 1.00 0.00 WT3 O ATOM 46838 H1 TIP3 8513 54.180 71.859 -6.665 1.00 0.00 WT3 H ATOM 46839 H2 TIP3 8513 55.199 72.954 -6.895 1.00 0.00 WT3 H ATOM 46840 OH2 TIP3 8514 90.350 59.254 7.743 1.00 0.00 WT3 O ATOM 46841 H1 TIP3 8514 90.616 59.127 6.832 1.00 0.00 WT3 H ATOM 46842 H2 TIP3 8514 90.070 60.168 7.786 1.00 0.00 WT3 H ATOM 46843 OH2 TIP3 8515 41.722 48.437 -18.512 1.00 0.00 WT3 O ATOM 46844 H1 TIP3 8515 42.498 48.648 -17.993 1.00 0.00 WT3 H ATOM 46845 H2 TIP3 8515 41.008 48.904 -18.079 1.00 0.00 WT3 H ATOM 46846 OH2 TIP3 8516 35.772 45.996 2.334 1.00 0.00 WT3 O ATOM 46847 H1 TIP3 8516 36.503 45.696 2.875 1.00 0.00 WT3 H ATOM 46848 H2 TIP3 8516 35.766 46.946 2.445 1.00 0.00 WT3 H ATOM 46849 OH2 TIP3 8517 74.153 74.304 36.550 1.00 0.00 WT3 O ATOM 46850 H1 TIP3 8517 74.091 73.679 37.273 1.00 0.00 WT3 H ATOM 46851 H2 TIP3 8517 73.459 74.041 35.946 1.00 0.00 WT3 H ATOM 46852 OH2 TIP3 8518 58.352 96.543 -13.191 1.00 0.00 WT3 O ATOM 46853 H1 TIP3 8518 57.805 96.844 -13.916 1.00 0.00 WT3 H ATOM 46854 H2 TIP3 8518 57.771 96.551 -12.431 1.00 0.00 WT3 H ATOM 46855 OH2 TIP3 8519 81.476 67.958 10.241 1.00 0.00 WT3 O ATOM 46856 H1 TIP3 8519 80.994 68.666 9.813 1.00 0.00 WT3 H ATOM 46857 H2 TIP3 8519 81.322 67.194 9.686 1.00 0.00 WT3 H ATOM 46858 OH2 TIP3 8520 40.905 82.187 2.708 1.00 0.00 WT3 O ATOM 46859 H1 TIP3 8520 41.720 82.531 2.344 1.00 0.00 WT3 H ATOM 46860 H2 TIP3 8520 40.218 82.714 2.299 1.00 0.00 WT3 H ATOM 46861 OH2 TIP3 8521 23.490 74.300 -16.128 1.00 0.00 WT3 O ATOM 46862 H1 TIP3 8521 23.035 73.599 -15.662 1.00 0.00 WT3 H ATOM 46863 H2 TIP3 8521 23.898 74.823 -15.437 1.00 0.00 WT3 H ATOM 46864 OH2 TIP3 8522 84.148 58.349 -16.176 1.00 0.00 WT3 O ATOM 46865 H1 TIP3 8522 84.652 58.135 -16.961 1.00 0.00 WT3 H ATOM 46866 H2 TIP3 8522 83.368 57.797 -16.235 1.00 0.00 WT3 H ATOM 46867 OH2 TIP3 8523 89.861 15.086 35.248 1.00 0.00 WT3 O ATOM 46868 H1 TIP3 8523 89.163 15.427 35.807 1.00 0.00 WT3 H ATOM 46869 H2 TIP3 8523 90.493 15.802 35.188 1.00 0.00 WT3 H ATOM 46870 OH2 TIP3 8524 65.151 6.813 40.137 1.00 0.00 WT3 O ATOM 46871 H1 TIP3 8524 65.684 6.092 39.802 1.00 0.00 WT3 H ATOM 46872 H2 TIP3 8524 65.377 6.868 41.065 1.00 0.00 WT3 H ATOM 46873 OH2 TIP3 8525 45.609 85.367 53.983 1.00 0.00 WT3 O ATOM 46874 H1 TIP3 8525 45.240 85.048 54.806 1.00 0.00 WT3 H ATOM 46875 H2 TIP3 8525 46.525 85.557 54.188 1.00 0.00 WT3 H ATOM 46876 OH2 TIP3 8526 21.801 77.561 47.592 1.00 0.00 WT3 O ATOM 46877 H1 TIP3 8526 21.353 77.255 48.381 1.00 0.00 WT3 H ATOM 46878 H2 TIP3 8526 22.667 77.155 47.635 1.00 0.00 WT3 H ATOM 46879 OH2 TIP3 8527 62.428 64.184 62.784 1.00 0.00 WT3 O ATOM 46880 H1 TIP3 8527 62.956 64.105 61.990 1.00 0.00 WT3 H ATOM 46881 H2 TIP3 8527 62.824 64.911 63.264 1.00 0.00 WT3 H ATOM 46882 OH2 TIP3 8528 67.563 48.986 -6.527 1.00 0.00 WT3 O ATOM 46883 H1 TIP3 8528 67.234 48.222 -7.001 1.00 0.00 WT3 H ATOM 46884 H2 TIP3 8528 66.926 49.676 -6.712 1.00 0.00 WT3 H ATOM 46885 OH2 TIP3 8529 39.746 90.750 49.655 1.00 0.00 WT3 O ATOM 46886 H1 TIP3 8529 40.102 91.224 48.904 1.00 0.00 WT3 H ATOM 46887 H2 TIP3 8529 39.685 91.408 50.348 1.00 0.00 WT3 H ATOM 46888 OH2 TIP3 8530 35.141 7.816 -7.460 1.00 0.00 WT3 O ATOM 46889 H1 TIP3 8530 34.559 7.896 -8.216 1.00 0.00 WT3 H ATOM 46890 H2 TIP3 8530 36.021 7.785 -7.836 1.00 0.00 WT3 H ATOM 46891 OH2 TIP3 8531 23.293 69.616 -0.839 1.00 0.00 WT3 O ATOM 46892 H1 TIP3 8531 23.624 70.431 -0.462 1.00 0.00 WT3 H ATOM 46893 H2 TIP3 8531 23.906 69.413 -1.546 1.00 0.00 WT3 H ATOM 46894 OH2 TIP3 8532 59.662 49.804 51.849 1.00 0.00 WT3 O ATOM 46895 H1 TIP3 8532 60.358 50.066 51.247 1.00 0.00 WT3 H ATOM 46896 H2 TIP3 8532 60.013 49.039 52.304 1.00 0.00 WT3 H ATOM 46897 OH2 TIP3 8534 90.493 92.272 13.612 1.00 0.00 WT3 O ATOM 46898 H1 TIP3 8534 90.598 91.392 13.975 1.00 0.00 WT3 H ATOM 46899 H2 TIP3 8534 91.179 92.789 14.034 1.00 0.00 WT3 H ATOM 46900 OH2 TIP3 8535 20.939 34.525 -11.277 1.00 0.00 WT3 O ATOM 46901 H1 TIP3 8535 20.928 34.840 -10.373 1.00 0.00 WT3 H ATOM 46902 H2 TIP3 8535 20.037 34.253 -11.448 1.00 0.00 WT3 H ATOM 46903 OH2 TIP3 8536 33.725 84.403 -15.020 1.00 0.00 WT3 O ATOM 46904 H1 TIP3 8536 33.951 84.920 -14.247 1.00 0.00 WT3 H ATOM 46905 H2 TIP3 8536 33.885 84.992 -15.757 1.00 0.00 WT3 H ATOM 46906 OH2 TIP3 8538 27.903 95.103 -5.901 1.00 0.00 WT3 O ATOM 46907 H1 TIP3 8538 28.083 95.407 -5.012 1.00 0.00 WT3 H ATOM 46908 H2 TIP3 8538 27.035 94.704 -5.848 1.00 0.00 WT3 H ATOM 46909 OH2 TIP3 8539 87.117 5.434 -2.262 1.00 0.00 WT3 O ATOM 46910 H1 TIP3 8539 87.351 5.540 -3.184 1.00 0.00 WT3 H ATOM 46911 H2 TIP3 8539 87.425 4.556 -2.035 1.00 0.00 WT3 H ATOM 46912 OH2 TIP3 8541 83.429 66.202 65.315 1.00 0.00 WT3 O ATOM 46913 H1 TIP3 8541 83.608 66.325 64.383 1.00 0.00 WT3 H ATOM 46914 H2 TIP3 8541 82.571 65.778 65.341 1.00 0.00 WT3 H ATOM 46915 OH2 TIP3 8542 71.168 50.426 0.311 1.00 0.00 WT3 O ATOM 46916 H1 TIP3 8542 70.228 50.552 0.181 1.00 0.00 WT3 H ATOM 46917 H2 TIP3 8542 71.366 50.911 1.112 1.00 0.00 WT3 H ATOM 46918 OH2 TIP3 8543 25.008 91.093 30.682 1.00 0.00 WT3 O ATOM 46919 H1 TIP3 8543 25.572 91.771 31.054 1.00 0.00 WT3 H ATOM 46920 H2 TIP3 8543 25.048 91.239 29.737 1.00 0.00 WT3 H ATOM 46921 OH2 TIP3 8544 32.679 10.167 -4.970 1.00 0.00 WT3 O ATOM 46922 H1 TIP3 8544 31.806 10.391 -5.295 1.00 0.00 WT3 H ATOM 46923 H2 TIP3 8544 33.103 9.729 -5.708 1.00 0.00 WT3 H ATOM 46924 OH2 TIP3 8545 48.331 79.851 26.963 1.00 0.00 WT3 O ATOM 46925 H1 TIP3 8545 48.066 78.988 27.281 1.00 0.00 WT3 H ATOM 46926 H2 TIP3 8545 48.478 79.726 26.026 1.00 0.00 WT3 H ATOM 46927 OH2 TIP3 8546 54.144 61.971 4.177 1.00 0.00 WT3 O ATOM 46928 H1 TIP3 8546 54.717 61.760 3.440 1.00 0.00 WT3 H ATOM 46929 H2 TIP3 8546 53.553 62.643 3.835 1.00 0.00 WT3 H ATOM 46930 OH2 TIP3 8547 78.597 92.893 48.002 1.00 0.00 WT3 O ATOM 46931 H1 TIP3 8547 79.195 92.660 47.292 1.00 0.00 WT3 H ATOM 46932 H2 TIP3 8547 78.667 93.846 48.071 1.00 0.00 WT3 H ATOM 46933 OH2 TIP3 8548 73.030 72.776 51.772 1.00 0.00 WT3 O ATOM 46934 H1 TIP3 8548 73.957 72.955 51.615 1.00 0.00 WT3 H ATOM 46935 H2 TIP3 8548 72.623 73.640 51.827 1.00 0.00 WT3 H ATOM 46936 OH2 TIP3 8549 32.459 37.680 7.227 1.00 0.00 WT3 O ATOM 46937 H1 TIP3 8549 33.084 38.217 7.715 1.00 0.00 WT3 H ATOM 46938 H2 TIP3 8549 32.999 37.176 6.619 1.00 0.00 WT3 H ATOM 46939 OH2 TIP3 8550 57.933 95.605 9.245 1.00 0.00 WT3 O ATOM 46940 H1 TIP3 8550 58.272 96.463 8.990 1.00 0.00 WT3 H ATOM 46941 H2 TIP3 8550 58.059 95.569 10.193 1.00 0.00 WT3 H ATOM 46942 OH2 TIP3 8552 22.686 22.558 9.995 1.00 0.00 WT3 O ATOM 46943 H1 TIP3 8552 23.622 22.632 9.810 1.00 0.00 WT3 H ATOM 46944 H2 TIP3 8552 22.564 21.646 10.258 1.00 0.00 WT3 H ATOM 46945 OH2 TIP3 8554 30.415 94.356 24.499 1.00 0.00 WT3 O ATOM 46946 H1 TIP3 8554 30.782 95.153 24.883 1.00 0.00 WT3 H ATOM 46947 H2 TIP3 8554 30.151 93.827 25.252 1.00 0.00 WT3 H ATOM 46948 OH2 TIP3 8555 32.568 92.794 7.385 1.00 0.00 WT3 O ATOM 46949 H1 TIP3 8555 33.111 92.209 7.913 1.00 0.00 WT3 H ATOM 46950 H2 TIP3 8555 32.148 93.372 8.023 1.00 0.00 WT3 H ATOM 46951 OH2 TIP3 8556 34.769 15.298 25.443 1.00 0.00 WT3 O ATOM 46952 H1 TIP3 8556 35.363 15.273 26.193 1.00 0.00 WT3 H ATOM 46953 H2 TIP3 8556 35.121 14.647 24.836 1.00 0.00 WT3 H ATOM 46954 OH2 TIP3 8557 24.384 54.978 11.845 1.00 0.00 WT3 O ATOM 46955 H1 TIP3 8557 23.665 54.349 11.782 1.00 0.00 WT3 H ATOM 46956 H2 TIP3 8557 24.124 55.570 12.551 1.00 0.00 WT3 H ATOM 46957 OH2 TIP3 8558 82.993 91.720 26.918 1.00 0.00 WT3 O ATOM 46958 H1 TIP3 8558 83.360 92.383 26.332 1.00 0.00 WT3 H ATOM 46959 H2 TIP3 8558 82.998 90.914 26.401 1.00 0.00 WT3 H ATOM 46960 OH2 TIP3 8560 23.863 33.950 -11.129 1.00 0.00 WT3 O ATOM 46961 H1 TIP3 8560 23.433 34.781 -10.930 1.00 0.00 WT3 H ATOM 46962 H2 TIP3 8560 23.146 33.320 -11.201 1.00 0.00 WT3 H ATOM 46963 OH2 TIP3 8561 32.076 45.917 -10.658 1.00 0.00 WT3 O ATOM 46964 H1 TIP3 8561 31.956 46.807 -10.326 1.00 0.00 WT3 H ATOM 46965 H2 TIP3 8561 31.209 45.660 -10.972 1.00 0.00 WT3 H ATOM 46966 OH2 TIP3 8562 41.078 24.577 45.416 1.00 0.00 WT3 O ATOM 46967 H1 TIP3 8562 40.135 24.678 45.292 1.00 0.00 WT3 H ATOM 46968 H2 TIP3 8562 41.428 25.463 45.324 1.00 0.00 WT3 H ATOM 46969 OH2 TIP3 8564 33.279 77.060 -17.498 1.00 0.00 WT3 O ATOM 46970 H1 TIP3 8564 33.364 76.939 -16.552 1.00 0.00 WT3 H ATOM 46971 H2 TIP3 8564 32.421 77.469 -17.611 1.00 0.00 WT3 H ATOM 46972 OH2 TIP3 8565 47.152 80.986 42.439 1.00 0.00 WT3 O ATOM 46973 H1 TIP3 8565 46.203 80.934 42.330 1.00 0.00 WT3 H ATOM 46974 H2 TIP3 8565 47.387 81.845 42.088 1.00 0.00 WT3 H ATOM 46975 OH2 TIP3 8566 33.665 7.662 30.216 1.00 0.00 WT3 O ATOM 46976 H1 TIP3 8566 33.385 7.289 31.052 1.00 0.00 WT3 H ATOM 46977 H2 TIP3 8566 32.971 8.278 29.983 1.00 0.00 WT3 H ATOM 46978 OH2 TIP3 8567 24.242 42.293 -19.093 1.00 0.00 WT3 O ATOM 46979 H1 TIP3 8567 24.921 42.438 -18.435 1.00 0.00 WT3 H ATOM 46980 H2 TIP3 8567 24.646 41.699 -19.727 1.00 0.00 WT3 H ATOM 46981 OH2 TIP3 8571 78.662 79.604 -12.015 1.00 0.00 WT3 O ATOM 46982 H1 TIP3 8571 79.469 79.102 -12.125 1.00 0.00 WT3 H ATOM 46983 H2 TIP3 8571 78.295 79.290 -11.188 1.00 0.00 WT3 H ATOM 46984 OH2 TIP3 8573 67.338 78.855 60.994 1.00 0.00 WT3 O ATOM 46985 H1 TIP3 8573 66.980 79.736 61.100 1.00 0.00 WT3 H ATOM 46986 H2 TIP3 8573 67.969 78.937 60.279 1.00 0.00 WT3 H ATOM 46987 OH2 TIP3 8574 51.688 13.484 39.751 1.00 0.00 WT3 O ATOM 46988 H1 TIP3 8574 51.235 13.866 40.503 1.00 0.00 WT3 H ATOM 46989 H2 TIP3 8574 51.028 12.938 39.325 1.00 0.00 WT3 H ATOM 46990 OH2 TIP3 8577 36.711 35.502 -15.548 1.00 0.00 WT3 O ATOM 46991 H1 TIP3 8577 36.998 35.811 -14.689 1.00 0.00 WT3 H ATOM 46992 H2 TIP3 8577 37.347 35.869 -16.161 1.00 0.00 WT3 H ATOM 46993 OH2 TIP3 8579 61.953 19.951 40.210 1.00 0.00 WT3 O ATOM 46994 H1 TIP3 8579 62.052 19.163 39.675 1.00 0.00 WT3 H ATOM 46995 H2 TIP3 8579 62.385 20.640 39.705 1.00 0.00 WT3 H ATOM 46996 OH2 TIP3 8581 25.753 60.412 40.418 1.00 0.00 WT3 O ATOM 46997 H1 TIP3 8581 25.523 61.338 40.336 1.00 0.00 WT3 H ATOM 46998 H2 TIP3 8581 25.377 60.145 41.256 1.00 0.00 WT3 H ATOM 46999 OH2 TIP3 8582 47.644 0.592 40.181 1.00 0.00 WT3 O ATOM 47000 H1 TIP3 8582 48.327 -0.044 39.968 1.00 0.00 WT3 H ATOM 47001 H2 TIP3 8582 46.968 0.080 40.625 1.00 0.00 WT3 H ATOM 47002 OH2 TIP3 8583 87.742 57.846 47.671 1.00 0.00 WT3 O ATOM 47003 H1 TIP3 8583 88.479 58.010 47.082 1.00 0.00 WT3 H ATOM 47004 H2 TIP3 8583 88.089 57.241 48.327 1.00 0.00 WT3 H ATOM 47005 OH2 TIP3 8584 26.604 53.779 -6.604 1.00 0.00 WT3 O ATOM 47006 H1 TIP3 8584 25.988 54.512 -6.589 1.00 0.00 WT3 H ATOM 47007 H2 TIP3 8584 26.302 53.198 -5.906 1.00 0.00 WT3 H ATOM 47008 OH2 TIP3 8585 70.812 46.905 22.820 1.00 0.00 WT3 O ATOM 47009 H1 TIP3 8585 70.561 47.784 22.534 1.00 0.00 WT3 H ATOM 47010 H2 TIP3 8585 70.402 46.807 23.680 1.00 0.00 WT3 H ATOM 47011 OH2 TIP3 8590 52.409 76.492 66.620 1.00 0.00 WT3 O ATOM 47012 H1 TIP3 8590 53.051 76.180 67.258 1.00 0.00 WT3 H ATOM 47013 H2 TIP3 8590 52.752 77.335 66.326 1.00 0.00 WT3 H ATOM 47014 OH2 TIP3 8591 49.892 11.548 42.206 1.00 0.00 WT3 O ATOM 47015 H1 TIP3 8591 50.645 11.249 42.717 1.00 0.00 WT3 H ATOM 47016 H2 TIP3 8591 49.365 12.051 42.827 1.00 0.00 WT3 H ATOM 47017 OH2 TIP3 8594 82.674 4.492 -14.629 1.00 0.00 WT3 O ATOM 47018 H1 TIP3 8594 82.022 4.184 -13.999 1.00 0.00 WT3 H ATOM 47019 H2 TIP3 8594 82.822 5.408 -14.392 1.00 0.00 WT3 H ATOM 47020 OH2 TIP3 8598 74.992 64.557 11.452 1.00 0.00 WT3 O ATOM 47021 H1 TIP3 8598 74.487 64.032 12.073 1.00 0.00 WT3 H ATOM 47022 H2 TIP3 8598 75.396 65.240 11.989 1.00 0.00 WT3 H ATOM 47023 OH2 TIP3 8600 63.495 26.856 36.488 1.00 0.00 WT3 O ATOM 47024 H1 TIP3 8600 64.258 26.953 37.058 1.00 0.00 WT3 H ATOM 47025 H2 TIP3 8600 63.202 25.956 36.631 1.00 0.00 WT3 H ATOM 47026 OH2 TIP3 8602 65.247 27.575 15.077 1.00 0.00 WT3 O ATOM 47027 H1 TIP3 8602 64.907 28.282 14.528 1.00 0.00 WT3 H ATOM 47028 H2 TIP3 8602 65.188 26.794 14.526 1.00 0.00 WT3 H ATOM 47029 OH2 TIP3 8605 25.661 40.932 66.341 1.00 0.00 WT3 O ATOM 47030 H1 TIP3 8605 26.520 40.841 65.928 1.00 0.00 WT3 H ATOM 47031 H2 TIP3 8605 25.175 41.514 65.757 1.00 0.00 WT3 H ATOM 47032 OH2 TIP3 8614 88.432 26.540 46.801 1.00 0.00 WT3 O ATOM 47033 H1 TIP3 8614 88.147 25.830 47.377 1.00 0.00 WT3 H ATOM 47034 H2 TIP3 8614 89.330 26.310 46.563 1.00 0.00 WT3 H ATOM 47035 OH2 TIP3 8615 58.577 71.709 0.228 1.00 0.00 WT3 O ATOM 47036 H1 TIP3 8615 57.676 71.616 0.537 1.00 0.00 WT3 H ATOM 47037 H2 TIP3 8615 59.084 71.119 0.786 1.00 0.00 WT3 H ATOM 47038 OH2 TIP3 8621 83.533 77.473 54.035 1.00 0.00 WT3 O ATOM 47039 H1 TIP3 8621 82.811 78.018 54.347 1.00 0.00 WT3 H ATOM 47040 H2 TIP3 8621 84.234 78.094 53.835 1.00 0.00 WT3 H ATOM 47041 OH2 TIP3 8625 47.695 76.152 6.222 1.00 0.00 WT3 O ATOM 47042 H1 TIP3 8625 48.113 75.502 5.657 1.00 0.00 WT3 H ATOM 47043 H2 TIP3 8625 48.419 76.554 6.702 1.00 0.00 WT3 H ATOM 47044 OH2 TIP3 8627 66.813 87.773 9.159 1.00 0.00 WT3 O ATOM 47045 H1 TIP3 8627 66.086 88.118 9.676 1.00 0.00 WT3 H ATOM 47046 H2 TIP3 8627 66.521 86.903 8.886 1.00 0.00 WT3 H ATOM 47047 OH2 TIP3 8635 41.044 88.189 50.605 1.00 0.00 WT3 O ATOM 47048 H1 TIP3 8635 40.800 88.787 49.898 1.00 0.00 WT3 H ATOM 47049 H2 TIP3 8635 41.901 88.499 50.896 1.00 0.00 WT3 H ATOM 47050 OH2 TIP3 8637 78.982 8.815 40.482 1.00 0.00 WT3 O ATOM 47051 H1 TIP3 8637 78.237 9.410 40.559 1.00 0.00 WT3 H ATOM 47052 H2 TIP3 8637 79.358 9.011 39.623 1.00 0.00 WT3 H ATOM 47053 OH2 TIP3 8638 27.407 41.267 33.999 1.00 0.00 WT3 O ATOM 47054 H1 TIP3 8638 28.348 41.387 33.869 1.00 0.00 WT3 H ATOM 47055 H2 TIP3 8638 27.007 41.630 33.209 1.00 0.00 WT3 H ATOM 47056 OH2 TIP3 8640 72.277 20.842 36.526 1.00 0.00 WT3 O ATOM 47057 H1 TIP3 8640 71.684 21.062 35.807 1.00 0.00 WT3 H ATOM 47058 H2 TIP3 8640 73.076 21.333 36.337 1.00 0.00 WT3 H ATOM 47059 OH2 TIP3 8645 73.021 67.096 -15.700 1.00 0.00 WT3 O ATOM 47060 H1 TIP3 8645 72.416 66.399 -15.447 1.00 0.00 WT3 H ATOM 47061 H2 TIP3 8645 72.598 67.901 -15.400 1.00 0.00 WT3 H ATOM 47062 OH2 TIP3 8647 56.586 1.576 30.453 1.00 0.00 WT3 O ATOM 47063 H1 TIP3 8647 55.978 0.942 30.836 1.00 0.00 WT3 H ATOM 47064 H2 TIP3 8647 56.956 2.037 31.205 1.00 0.00 WT3 H ATOM 47065 OH2 TIP3 8649 21.915 37.997 8.761 1.00 0.00 WT3 O ATOM 47066 H1 TIP3 8649 22.693 37.858 8.220 1.00 0.00 WT3 H ATOM 47067 H2 TIP3 8649 22.165 38.695 9.367 1.00 0.00 WT3 H ATOM 47068 OH2 TIP3 8669 37.898 9.087 64.580 1.00 0.00 WT3 O ATOM 47069 H1 TIP3 8669 37.898 8.299 64.037 1.00 0.00 WT3 H ATOM 47070 H2 TIP3 8669 38.757 9.481 64.430 1.00 0.00 WT3 H ATOM 47071 OH2 TIP3 8753 21.690 57.464 38.228 1.00 0.00 WT3 O ATOM 47072 H1 TIP3 8753 22.512 57.627 38.691 1.00 0.00 WT3 H ATOM 47073 H2 TIP3 8753 21.077 57.199 38.913 1.00 0.00 WT3 H ATOM 47074 OH2 TIP3 8760 44.375 91.048 -17.413 1.00 0.00 WT3 O ATOM 47075 H1 TIP3 8760 45.146 90.932 -17.969 1.00 0.00 WT3 H ATOM 47076 H2 TIP3 8760 44.415 90.319 -16.793 1.00 0.00 WT3 H ATOM 47077 OH2 TIP3 8762 62.380 22.258 47.868 1.00 0.00 WT3 O ATOM 47078 H1 TIP3 8762 62.857 21.509 47.508 1.00 0.00 WT3 H ATOM 47079 H2 TIP3 8762 62.003 22.693 47.104 1.00 0.00 WT3 H ATOM 47080 OH2 TIP3 8777 46.407 70.465 1.482 1.00 0.00 WT3 O ATOM 47081 H1 TIP3 8777 46.293 69.734 2.090 1.00 0.00 WT3 H ATOM 47082 H2 TIP3 8777 47.273 70.817 1.689 1.00 0.00 WT3 H ATOM 47083 OH2 TIP3 8779 35.531 57.998 -6.159 1.00 0.00 WT3 O ATOM 47084 H1 TIP3 8779 34.971 58.722 -5.878 1.00 0.00 WT3 H ATOM 47085 H2 TIP3 8779 35.322 57.286 -5.554 1.00 0.00 WT3 H ATOM 47086 OH2 TIP3 8780 51.803 70.889 -10.800 1.00 0.00 WT3 O ATOM 47087 H1 TIP3 8780 51.129 70.986 -10.127 1.00 0.00 WT3 H ATOM 47088 H2 TIP3 8780 51.444 70.244 -11.409 1.00 0.00 WT3 H ATOM 47089 OH2 TIP3 8782 73.603 93.005 49.739 1.00 0.00 WT3 O ATOM 47090 H1 TIP3 8782 74.300 92.353 49.667 1.00 0.00 WT3 H ATOM 47091 H2 TIP3 8782 72.933 92.710 49.122 1.00 0.00 WT3 H ATOM 47092 OH2 TIP3 8790 66.922 40.074 38.857 1.00 0.00 WT3 O ATOM 47093 H1 TIP3 8790 67.710 39.601 39.126 1.00 0.00 WT3 H ATOM 47094 H2 TIP3 8790 67.208 40.982 38.762 1.00 0.00 WT3 H ATOM 47095 OH2 TIP3 8792 55.670 2.918 1.614 1.00 0.00 WT3 O ATOM 47096 H1 TIP3 8792 55.067 2.739 2.335 1.00 0.00 WT3 H ATOM 47097 H2 TIP3 8792 56.242 3.609 1.946 1.00 0.00 WT3 H ATOM 47098 OH2 TIP3 8794 22.487 10.556 -14.107 1.00 0.00 WT3 O ATOM 47099 H1 TIP3 8794 22.898 11.388 -14.342 1.00 0.00 WT3 H ATOM 47100 H2 TIP3 8794 21.717 10.502 -14.673 1.00 0.00 WT3 H ATOM 47101 OH2 TIP3 8799 29.140 96.009 -3.505 1.00 0.00 WT3 O ATOM 47102 H1 TIP3 8799 28.862 96.731 -2.941 1.00 0.00 WT3 H ATOM 47103 H2 TIP3 8799 29.496 95.357 -2.902 1.00 0.00 WT3 H ATOM 47104 OH2 TIP3 8801 83.557 42.849 13.223 1.00 0.00 WT3 O ATOM 47105 H1 TIP3 8801 84.375 42.494 13.572 1.00 0.00 WT3 H ATOM 47106 H2 TIP3 8801 82.928 42.748 13.938 1.00 0.00 WT3 H ATOM 47107 OH2 TIP3 8802 55.382 44.833 56.258 1.00 0.00 WT3 O ATOM 47108 H1 TIP3 8802 55.080 45.509 56.865 1.00 0.00 WT3 H ATOM 47109 H2 TIP3 8802 54.730 44.832 55.557 1.00 0.00 WT3 H ATOM 47110 OH2 TIP3 8803 27.760 70.851 -5.362 1.00 0.00 WT3 O ATOM 47111 H1 TIP3 8803 27.135 70.239 -4.972 1.00 0.00 WT3 H ATOM 47112 H2 TIP3 8803 28.591 70.651 -4.933 1.00 0.00 WT3 H ATOM 47113 OH2 TIP3 8807 58.187 86.005 -3.534 1.00 0.00 WT3 O ATOM 47114 H1 TIP3 8807 57.941 86.924 -3.431 1.00 0.00 WT3 H ATOM 47115 H2 TIP3 8807 57.354 85.546 -3.646 1.00 0.00 WT3 H ATOM 47116 OH2 TIP3 8813 34.167 95.895 -19.055 1.00 0.00 WT3 O ATOM 47117 H1 TIP3 8813 33.855 96.760 -19.321 1.00 0.00 WT3 H ATOM 47118 H2 TIP3 8813 33.371 95.375 -18.945 1.00 0.00 WT3 H ATOM 47119 OH2 TIP3 8816 90.057 68.941 -12.176 1.00 0.00 WT3 O ATOM 47120 H1 TIP3 8816 89.763 69.766 -11.790 1.00 0.00 WT3 H ATOM 47121 H2 TIP3 8816 89.408 68.298 -11.889 1.00 0.00 WT3 H ATOM 47122 OH2 TIP3 8820 83.455 67.090 -9.253 1.00 0.00 WT3 O ATOM 47123 H1 TIP3 8820 82.685 67.569 -9.558 1.00 0.00 WT3 H ATOM 47124 H2 TIP3 8820 83.107 66.442 -8.639 1.00 0.00 WT3 H ATOM 47125 OH2 TIP3 8822 75.998 6.643 50.506 1.00 0.00 WT3 O ATOM 47126 H1 TIP3 8822 76.637 6.913 49.847 1.00 0.00 WT3 H ATOM 47127 H2 TIP3 8822 75.224 6.393 50.002 1.00 0.00 WT3 H ATOM 47128 OH2 TIP3 8823 67.783 74.389 42.603 1.00 0.00 WT3 O ATOM 47129 H1 TIP3 8823 67.644 74.304 41.659 1.00 0.00 WT3 H ATOM 47130 H2 TIP3 8823 68.692 74.675 42.686 1.00 0.00 WT3 H ATOM 47131 OH2 TIP3 8824 25.934 55.860 26.845 1.00 0.00 WT3 O ATOM 47132 H1 TIP3 8824 26.732 55.424 26.546 1.00 0.00 WT3 H ATOM 47133 H2 TIP3 8824 26.235 56.698 27.196 1.00 0.00 WT3 H ATOM 47134 OH2 TIP3 8829 87.170 29.063 -16.575 1.00 0.00 WT3 O ATOM 47135 H1 TIP3 8829 86.243 29.242 -16.732 1.00 0.00 WT3 H ATOM 47136 H2 TIP3 8829 87.619 29.863 -16.847 1.00 0.00 WT3 H ATOM 47137 OH2 TIP3 8830 82.767 76.793 -8.359 1.00 0.00 WT3 O ATOM 47138 H1 TIP3 8830 82.867 77.608 -7.867 1.00 0.00 WT3 H ATOM 47139 H2 TIP3 8830 82.243 77.036 -9.122 1.00 0.00 WT3 H ATOM 47140 OH2 TIP3 8831 73.831 75.540 11.321 1.00 0.00 WT3 O ATOM 47141 H1 TIP3 8831 73.300 75.741 12.091 1.00 0.00 WT3 H ATOM 47142 H2 TIP3 8831 73.198 75.267 10.657 1.00 0.00 WT3 H ATOM 47143 OH2 TIP3 8833 68.251 76.260 21.754 1.00 0.00 WT3 O ATOM 47144 H1 TIP3 8833 67.698 75.810 22.392 1.00 0.00 WT3 H ATOM 47145 H2 TIP3 8833 68.189 75.724 20.963 1.00 0.00 WT3 H ATOM 47146 OH2 TIP3 8836 63.104 15.316 11.241 1.00 0.00 WT3 O ATOM 47147 H1 TIP3 8836 63.337 14.439 11.545 1.00 0.00 WT3 H ATOM 47148 H2 TIP3 8836 62.149 15.348 11.310 1.00 0.00 WT3 H ATOM 47149 OH2 TIP3 8837 43.559 32.421 56.009 1.00 0.00 WT3 O ATOM 47150 H1 TIP3 8837 43.232 31.926 56.760 1.00 0.00 WT3 H ATOM 47151 H2 TIP3 8837 44.339 32.868 56.337 1.00 0.00 WT3 H ATOM 47152 OH2 TIP3 8838 41.185 40.401 41.867 1.00 0.00 WT3 O ATOM 47153 H1 TIP3 8838 40.716 40.926 42.516 1.00 0.00 WT3 H ATOM 47154 H2 TIP3 8838 40.547 39.747 41.581 1.00 0.00 WT3 H ATOM 47155 OH2 TIP3 8840 27.912 18.547 67.000 1.00 0.00 WT3 O ATOM 47156 H1 TIP3 8840 27.499 19.188 67.579 1.00 0.00 WT3 H ATOM 47157 H2 TIP3 8840 28.782 18.906 66.826 1.00 0.00 WT3 H ATOM 47158 OH2 TIP3 8842 31.640 96.829 -13.704 1.00 0.00 WT3 O ATOM 47159 H1 TIP3 8842 31.718 95.875 -13.685 1.00 0.00 WT3 H ATOM 47160 H2 TIP3 8842 30.790 96.992 -14.113 1.00 0.00 WT3 H ATOM 47161 OH2 TIP3 8843 50.204 76.271 55.579 1.00 0.00 WT3 O ATOM 47162 H1 TIP3 8843 50.320 76.474 54.651 1.00 0.00 WT3 H ATOM 47163 H2 TIP3 8843 51.027 75.857 55.839 1.00 0.00 WT3 H ATOM 47164 OH2 TIP3 8844 73.989 24.059 63.745 1.00 0.00 WT3 O ATOM 47165 H1 TIP3 8844 74.634 24.521 63.209 1.00 0.00 WT3 H ATOM 47166 H2 TIP3 8844 73.316 24.715 63.928 1.00 0.00 WT3 H ATOM 47167 OH2 TIP3 8845 48.579 25.882 50.218 1.00 0.00 WT3 O ATOM 47168 H1 TIP3 8845 48.579 25.116 50.791 1.00 0.00 WT3 H ATOM 47169 H2 TIP3 8845 47.750 25.826 49.742 1.00 0.00 WT3 H ATOM 47170 OH2 TIP3 8846 59.134 54.485 -16.792 1.00 0.00 WT3 O ATOM 47171 H1 TIP3 8846 59.162 53.532 -16.707 1.00 0.00 WT3 H ATOM 47172 H2 TIP3 8846 59.565 54.810 -16.002 1.00 0.00 WT3 H ATOM 47173 OH2 TIP3 8847 88.239 21.369 -12.731 1.00 0.00 WT3 O ATOM 47174 H1 TIP3 8847 88.227 22.118 -12.136 1.00 0.00 WT3 H ATOM 47175 H2 TIP3 8847 87.495 20.833 -12.457 1.00 0.00 WT3 H ATOM 47176 OH2 TIP3 8848 42.026 54.896 -16.553 1.00 0.00 WT3 O ATOM 47177 H1 TIP3 8848 42.719 55.554 -16.612 1.00 0.00 WT3 H ATOM 47178 H2 TIP3 8848 41.485 55.183 -15.818 1.00 0.00 WT3 H ATOM 47179 OH2 TIP3 8849 67.096 56.939 52.709 1.00 0.00 WT3 O ATOM 47180 H1 TIP3 8849 66.191 56.815 52.424 1.00 0.00 WT3 H ATOM 47181 H2 TIP3 8849 67.521 56.100 52.531 1.00 0.00 WT3 H ATOM 47182 OH2 TIP3 8852 48.850 61.633 50.107 1.00 0.00 WT3 O ATOM 47183 H1 TIP3 8852 48.544 62.508 50.345 1.00 0.00 WT3 H ATOM 47184 H2 TIP3 8852 49.094 61.707 49.184 1.00 0.00 WT3 H ATOM 47185 OH2 TIP3 8855 25.937 72.670 39.399 1.00 0.00 WT3 O ATOM 47186 H1 TIP3 8855 26.653 72.056 39.237 1.00 0.00 WT3 H ATOM 47187 H2 TIP3 8855 26.260 73.508 39.067 1.00 0.00 WT3 H ATOM 47188 OH2 TIP3 8856 65.090 61.677 63.792 1.00 0.00 WT3 O ATOM 47189 H1 TIP3 8856 64.767 61.572 62.897 1.00 0.00 WT3 H ATOM 47190 H2 TIP3 8856 65.849 61.096 63.843 1.00 0.00 WT3 H ATOM 47191 OH2 TIP3 8857 52.183 2.731 33.519 1.00 0.00 WT3 O ATOM 47192 H1 TIP3 8857 52.528 2.999 34.371 1.00 0.00 WT3 H ATOM 47193 H2 TIP3 8857 52.938 2.764 32.933 1.00 0.00 WT3 H ATOM 47194 OH2 TIP3 8859 62.699 31.375 7.787 1.00 0.00 WT3 O ATOM 47195 H1 TIP3 8859 62.086 31.554 8.500 1.00 0.00 WT3 H ATOM 47196 H2 TIP3 8859 62.954 32.241 7.467 1.00 0.00 WT3 H ATOM 47197 OH2 TIP3 8861 25.890 55.310 66.451 1.00 0.00 WT3 O ATOM 47198 H1 TIP3 8861 26.245 54.428 66.563 1.00 0.00 WT3 H ATOM 47199 H2 TIP3 8861 25.606 55.340 65.538 1.00 0.00 WT3 H ATOM 47200 OH2 TIP3 8863 26.591 92.326 56.555 1.00 0.00 WT3 O ATOM 47201 H1 TIP3 8863 27.295 92.940 56.763 1.00 0.00 WT3 H ATOM 47202 H2 TIP3 8863 26.026 92.339 57.327 1.00 0.00 WT3 H ATOM 47203 OH2 TIP3 8864 82.825 79.938 -13.825 1.00 0.00 WT3 O ATOM 47204 H1 TIP3 8864 82.310 80.693 -13.540 1.00 0.00 WT3 H ATOM 47205 H2 TIP3 8864 82.728 79.300 -13.118 1.00 0.00 WT3 H ATOM 47206 OH2 TIP3 8865 33.183 46.171 0.707 1.00 0.00 WT3 O ATOM 47207 H1 TIP3 8865 32.625 46.099 1.481 1.00 0.00 WT3 H ATOM 47208 H2 TIP3 8865 34.071 46.242 1.057 1.00 0.00 WT3 H ATOM 47209 OH2 TIP3 8866 46.446 14.310 -8.660 1.00 0.00 WT3 O ATOM 47210 H1 TIP3 8866 45.815 13.723 -8.243 1.00 0.00 WT3 H ATOM 47211 H2 TIP3 8866 46.341 14.147 -9.598 1.00 0.00 WT3 H ATOM 47212 OH2 TIP3 8867 41.892 45.175 33.924 1.00 0.00 WT3 O ATOM 47213 H1 TIP3 8867 42.585 45.133 33.266 1.00 0.00 WT3 H ATOM 47214 H2 TIP3 8867 42.350 45.090 34.760 1.00 0.00 WT3 H ATOM 47215 OH2 TIP3 8869 55.036 86.953 45.901 1.00 0.00 WT3 O ATOM 47216 H1 TIP3 8869 54.896 87.889 46.044 1.00 0.00 WT3 H ATOM 47217 H2 TIP3 8869 54.236 86.654 45.467 1.00 0.00 WT3 H ATOM 47218 OH2 TIP3 8870 88.710 73.449 -17.066 1.00 0.00 WT3 O ATOM 47219 H1 TIP3 8870 87.932 73.709 -16.574 1.00 0.00 WT3 H ATOM 47220 H2 TIP3 8870 89.414 73.442 -16.417 1.00 0.00 WT3 H ATOM 47221 OH2 TIP3 8871 67.233 61.907 -0.193 1.00 0.00 WT3 O ATOM 47222 H1 TIP3 8871 67.166 61.826 0.759 1.00 0.00 WT3 H ATOM 47223 H2 TIP3 8871 66.349 61.724 -0.511 1.00 0.00 WT3 H ATOM 47224 OH2 TIP3 8878 44.460 57.699 49.900 1.00 0.00 WT3 O ATOM 47225 H1 TIP3 8878 44.379 56.746 49.861 1.00 0.00 WT3 H ATOM 47226 H2 TIP3 8878 44.039 58.009 49.098 1.00 0.00 WT3 H ATOM 47227 OH2 TIP3 8879 83.058 37.510 55.736 1.00 0.00 WT3 O ATOM 47228 H1 TIP3 8879 82.795 38.257 55.199 1.00 0.00 WT3 H ATOM 47229 H2 TIP3 8879 83.485 37.901 56.498 1.00 0.00 WT3 H ATOM 47230 OH2 TIP3 8881 23.184 56.320 -1.615 1.00 0.00 WT3 O ATOM 47231 H1 TIP3 8881 22.625 55.671 -1.188 1.00 0.00 WT3 H ATOM 47232 H2 TIP3 8881 23.842 56.541 -0.955 1.00 0.00 WT3 H ATOM 47233 OH2 TIP3 8882 73.653 45.699 49.047 1.00 0.00 WT3 O ATOM 47234 H1 TIP3 8882 73.580 44.973 49.666 1.00 0.00 WT3 H ATOM 47235 H2 TIP3 8882 73.749 45.278 48.193 1.00 0.00 WT3 H ATOM 47236 OH2 TIP3 8883 65.786 39.974 7.611 1.00 0.00 WT3 O ATOM 47237 H1 TIP3 8883 66.121 40.421 8.387 1.00 0.00 WT3 H ATOM 47238 H2 TIP3 8883 64.857 39.833 7.797 1.00 0.00 WT3 H ATOM 47239 OH2 TIP3 8884 33.569 30.466 -1.792 1.00 0.00 WT3 O ATOM 47240 H1 TIP3 8884 33.227 30.372 -0.903 1.00 0.00 WT3 H ATOM 47241 H2 TIP3 8884 33.710 31.407 -1.896 1.00 0.00 WT3 H ATOM 47242 OH2 TIP3 8885 66.388 84.643 22.412 1.00 0.00 WT3 O ATOM 47243 H1 TIP3 8885 65.637 84.188 22.793 1.00 0.00 WT3 H ATOM 47244 H2 TIP3 8885 66.010 85.405 21.973 1.00 0.00 WT3 H ATOM 47245 OH2 TIP3 8886 62.924 50.215 -13.604 1.00 0.00 WT3 O ATOM 47246 H1 TIP3 8886 63.541 50.838 -13.220 1.00 0.00 WT3 H ATOM 47247 H2 TIP3 8886 63.139 49.379 -13.189 1.00 0.00 WT3 H ATOM 47248 OH2 TIP3 8887 22.129 5.084 -16.048 1.00 0.00 WT3 O ATOM 47249 H1 TIP3 8887 22.730 5.769 -16.340 1.00 0.00 WT3 H ATOM 47250 H2 TIP3 8887 21.733 4.752 -16.854 1.00 0.00 WT3 H ATOM 47251 OH2 TIP3 8888 37.933 37.725 -6.053 1.00 0.00 WT3 O ATOM 47252 H1 TIP3 8888 37.714 38.470 -5.494 1.00 0.00 WT3 H ATOM 47253 H2 TIP3 8888 38.270 38.120 -6.857 1.00 0.00 WT3 H ATOM 47254 OH2 TIP3 8893 44.265 51.503 -19.697 1.00 0.00 WT3 O ATOM 47255 H1 TIP3 8893 44.330 50.681 -20.183 1.00 0.00 WT3 H ATOM 47256 H2 TIP3 8893 44.681 51.318 -18.855 1.00 0.00 WT3 H ATOM 47257 OH2 TIP3 8894 39.917 85.877 20.217 1.00 0.00 WT3 O ATOM 47258 H1 TIP3 8894 40.271 86.680 20.599 1.00 0.00 WT3 H ATOM 47259 H2 TIP3 8894 40.623 85.237 20.307 1.00 0.00 WT3 H ATOM 47260 OH2 TIP3 8895 78.290 57.081 -19.865 1.00 0.00 WT3 O ATOM 47261 H1 TIP3 8895 78.372 56.153 -19.647 1.00 0.00 WT3 H ATOM 47262 H2 TIP3 8895 77.535 57.382 -19.360 1.00 0.00 WT3 H ATOM 47263 OH2 TIP3 8896 27.984 90.986 -19.002 1.00 0.00 WT3 O ATOM 47264 H1 TIP3 8896 27.847 90.058 -19.192 1.00 0.00 WT3 H ATOM 47265 H2 TIP3 8896 28.736 91.232 -19.541 1.00 0.00 WT3 H ATOM 47266 OH2 TIP3 8897 84.563 11.839 -10.106 1.00 0.00 WT3 O ATOM 47267 H1 TIP3 8897 84.310 12.107 -9.223 1.00 0.00 WT3 H ATOM 47268 H2 TIP3 8897 84.192 12.512 -10.677 1.00 0.00 WT3 H ATOM 47269 OH2 TIP3 8898 35.159 68.777 55.266 1.00 0.00 WT3 O ATOM 47270 H1 TIP3 8898 35.255 69.563 54.728 1.00 0.00 WT3 H ATOM 47271 H2 TIP3 8898 35.218 68.052 54.645 1.00 0.00 WT3 H ATOM 47272 OH2 TIP3 8899 66.711 39.479 60.938 1.00 0.00 WT3 O ATOM 47273 H1 TIP3 8899 67.084 38.654 61.251 1.00 0.00 WT3 H ATOM 47274 H2 TIP3 8899 67.387 40.132 61.121 1.00 0.00 WT3 H ATOM 47275 OH2 TIP3 8900 50.699 91.371 51.269 1.00 0.00 WT3 O ATOM 47276 H1 TIP3 8900 50.045 90.697 51.081 1.00 0.00 WT3 H ATOM 47277 H2 TIP3 8900 50.650 91.968 50.522 1.00 0.00 WT3 H ATOM 47278 OH2 TIP3 8901 33.066 10.195 1.783 1.00 0.00 WT3 O ATOM 47279 H1 TIP3 8901 33.415 9.627 1.096 1.00 0.00 WT3 H ATOM 47280 H2 TIP3 8901 32.907 9.608 2.522 1.00 0.00 WT3 H ATOM 47281 OH2 TIP3 8902 49.891 39.492 29.301 1.00 0.00 WT3 O ATOM 47282 H1 TIP3 8902 49.897 40.226 28.688 1.00 0.00 WT3 H ATOM 47283 H2 TIP3 8902 49.566 38.752 28.787 1.00 0.00 WT3 H ATOM 47284 OH2 TIP3 8903 70.129 40.129 -4.115 1.00 0.00 WT3 O ATOM 47285 H1 TIP3 8903 70.439 39.939 -3.229 1.00 0.00 WT3 H ATOM 47286 H2 TIP3 8903 69.223 39.820 -4.124 1.00 0.00 WT3 H ATOM 47287 OH2 TIP3 8904 85.887 62.759 50.943 1.00 0.00 WT3 O ATOM 47288 H1 TIP3 8904 85.946 63.245 50.121 1.00 0.00 WT3 H ATOM 47289 H2 TIP3 8904 85.795 63.434 51.615 1.00 0.00 WT3 H ATOM 47290 OH2 TIP3 8905 77.958 4.295 12.897 1.00 0.00 WT3 O ATOM 47291 H1 TIP3 8905 78.768 4.038 13.336 1.00 0.00 WT3 H ATOM 47292 H2 TIP3 8905 77.945 3.774 12.094 1.00 0.00 WT3 H ATOM 47293 OH2 TIP3 8907 80.162 52.131 -4.377 1.00 0.00 WT3 O ATOM 47294 H1 TIP3 8907 80.486 52.312 -5.259 1.00 0.00 WT3 H ATOM 47295 H2 TIP3 8907 80.727 52.648 -3.803 1.00 0.00 WT3 H ATOM 47296 OH2 TIP3 8910 56.584 73.136 2.426 1.00 0.00 WT3 O ATOM 47297 H1 TIP3 8910 57.182 73.882 2.459 1.00 0.00 WT3 H ATOM 47298 H2 TIP3 8910 56.890 72.551 3.120 1.00 0.00 WT3 H ATOM 47299 OH2 TIP3 8911 78.533 26.912 3.546 1.00 0.00 WT3 O ATOM 47300 H1 TIP3 8911 78.289 27.334 4.369 1.00 0.00 WT3 H ATOM 47301 H2 TIP3 8911 79.459 26.697 3.651 1.00 0.00 WT3 H ATOM 47302 OH2 TIP3 8912 72.712 22.552 -18.962 1.00 0.00 WT3 O ATOM 47303 H1 TIP3 8912 73.091 22.171 -19.754 1.00 0.00 WT3 H ATOM 47304 H2 TIP3 8912 72.916 23.486 -19.024 1.00 0.00 WT3 H ATOM 47305 OH2 TIP3 8913 52.525 55.810 -14.138 1.00 0.00 WT3 O ATOM 47306 H1 TIP3 8913 51.896 56.234 -14.722 1.00 0.00 WT3 H ATOM 47307 H2 TIP3 8913 53.278 55.617 -14.696 1.00 0.00 WT3 H ATOM 47308 OH2 TIP3 8914 67.248 92.080 -9.059 1.00 0.00 WT3 O ATOM 47309 H1 TIP3 8914 67.663 91.615 -9.786 1.00 0.00 WT3 H ATOM 47310 H2 TIP3 8914 66.396 91.657 -8.959 1.00 0.00 WT3 H ATOM 47311 OH2 TIP3 8915 24.418 76.819 12.619 1.00 0.00 WT3 O ATOM 47312 H1 TIP3 8915 23.809 77.401 13.073 1.00 0.00 WT3 H ATOM 47313 H2 TIP3 8915 23.944 75.992 12.538 1.00 0.00 WT3 H ATOM 47314 OH2 TIP3 8917 75.927 81.746 51.865 1.00 0.00 WT3 O ATOM 47315 H1 TIP3 8917 76.479 81.441 52.585 1.00 0.00 WT3 H ATOM 47316 H2 TIP3 8917 75.033 81.560 52.153 1.00 0.00 WT3 H ATOM 47317 OH2 TIP3 8918 84.591 79.933 30.079 1.00 0.00 WT3 O ATOM 47318 H1 TIP3 8918 84.954 79.367 29.399 1.00 0.00 WT3 H ATOM 47319 H2 TIP3 8918 83.669 80.032 29.842 1.00 0.00 WT3 H ATOM 47320 OH2 TIP3 8919 31.745 76.829 2.403 1.00 0.00 WT3 O ATOM 47321 H1 TIP3 8919 31.615 77.748 2.169 1.00 0.00 WT3 H ATOM 47322 H2 TIP3 8919 32.639 76.634 2.121 1.00 0.00 WT3 H ATOM 47323 OH2 TIP3 8920 31.208 59.689 41.715 1.00 0.00 WT3 O ATOM 47324 H1 TIP3 8920 30.674 60.452 41.495 1.00 0.00 WT3 H ATOM 47325 H2 TIP3 8920 32.098 59.939 41.468 1.00 0.00 WT3 H ATOM 47326 OH2 TIP3 8921 36.589 55.884 30.957 1.00 0.00 WT3 O ATOM 47327 H1 TIP3 8921 37.382 56.287 30.603 1.00 0.00 WT3 H ATOM 47328 H2 TIP3 8921 36.313 55.265 30.281 1.00 0.00 WT3 H ATOM 47329 OH2 TIP3 8922 38.103 64.822 34.451 1.00 0.00 WT3 O ATOM 47330 H1 TIP3 8922 38.545 65.564 34.865 1.00 0.00 WT3 H ATOM 47331 H2 TIP3 8922 38.815 64.255 34.153 1.00 0.00 WT3 H ATOM 47332 OH2 TIP3 8923 26.970 81.079 41.885 1.00 0.00 WT3 O ATOM 47333 H1 TIP3 8923 26.143 80.967 41.417 1.00 0.00 WT3 H ATOM 47334 H2 TIP3 8923 27.465 80.283 41.690 1.00 0.00 WT3 H ATOM 47335 OH2 TIP3 8924 41.353 80.811 -16.012 1.00 0.00 WT3 O ATOM 47336 H1 TIP3 8924 41.708 79.930 -15.897 1.00 0.00 WT3 H ATOM 47337 H2 TIP3 8924 40.657 80.877 -15.358 1.00 0.00 WT3 H ATOM 47338 OH2 TIP3 8926 28.122 93.576 3.087 1.00 0.00 WT3 O ATOM 47339 H1 TIP3 8926 27.890 94.472 3.332 1.00 0.00 WT3 H ATOM 47340 H2 TIP3 8926 28.022 93.554 2.136 1.00 0.00 WT3 H ATOM 47341 OH2 TIP3 8927 85.052 39.463 -8.489 1.00 0.00 WT3 O ATOM 47342 H1 TIP3 8927 85.474 40.316 -8.585 1.00 0.00 WT3 H ATOM 47343 H2 TIP3 8927 84.600 39.513 -7.646 1.00 0.00 WT3 H ATOM 47344 OH2 TIP3 8928 45.451 79.395 65.183 1.00 0.00 WT3 O ATOM 47345 H1 TIP3 8928 45.720 79.013 66.018 1.00 0.00 WT3 H ATOM 47346 H2 TIP3 8928 45.797 80.288 65.205 1.00 0.00 WT3 H ATOM 47347 OH2 TIP3 8929 60.222 34.887 15.419 1.00 0.00 WT3 O ATOM 47348 H1 TIP3 8929 59.577 35.497 15.779 1.00 0.00 WT3 H ATOM 47349 H2 TIP3 8929 59.797 34.520 14.643 1.00 0.00 WT3 H ATOM 47350 OH2 TIP3 8930 33.965 76.842 33.621 1.00 0.00 WT3 O ATOM 47351 H1 TIP3 8930 33.987 77.121 32.706 1.00 0.00 WT3 H ATOM 47352 H2 TIP3 8930 34.853 76.531 33.799 1.00 0.00 WT3 H ATOM 47353 OH2 TIP3 8931 58.502 48.788 58.184 1.00 0.00 WT3 O ATOM 47354 H1 TIP3 8931 58.200 48.192 57.499 1.00 0.00 WT3 H ATOM 47355 H2 TIP3 8931 59.393 49.023 57.923 1.00 0.00 WT3 H ATOM 47356 OH2 TIP3 8932 41.934 90.461 26.218 1.00 0.00 WT3 O ATOM 47357 H1 TIP3 8932 41.543 91.309 26.009 1.00 0.00 WT3 H ATOM 47358 H2 TIP3 8932 42.861 90.565 26.003 1.00 0.00 WT3 H ATOM 47359 OH2 TIP3 8933 46.760 27.127 30.647 1.00 0.00 WT3 O ATOM 47360 H1 TIP3 8933 47.173 27.964 30.858 1.00 0.00 WT3 H ATOM 47361 H2 TIP3 8933 45.926 27.145 31.116 1.00 0.00 WT3 H ATOM 47362 OH2 TIP3 8934 67.123 94.583 23.610 1.00 0.00 WT3 O ATOM 47363 H1 TIP3 8934 67.494 93.835 23.143 1.00 0.00 WT3 H ATOM 47364 H2 TIP3 8934 66.434 94.909 23.031 1.00 0.00 WT3 H ATOM 47365 OH2 TIP3 8935 32.818 56.916 -4.410 1.00 0.00 WT3 O ATOM 47366 H1 TIP3 8935 31.880 57.070 -4.517 1.00 0.00 WT3 H ATOM 47367 H2 TIP3 8935 32.978 57.046 -3.475 1.00 0.00 WT3 H ATOM 47368 OH2 TIP3 8936 55.994 84.179 65.184 1.00 0.00 WT3 O ATOM 47369 H1 TIP3 8936 55.521 84.319 64.364 1.00 0.00 WT3 H ATOM 47370 H2 TIP3 8936 55.449 83.564 65.675 1.00 0.00 WT3 H ATOM 47371 OH2 TIP3 8937 77.618 15.011 44.027 1.00 0.00 WT3 O ATOM 47372 H1 TIP3 8937 77.465 14.631 44.893 1.00 0.00 WT3 H ATOM 47373 H2 TIP3 8937 76.860 14.740 43.509 1.00 0.00 WT3 H ATOM 47374 OH2 TIP3 8938 23.842 34.392 49.181 1.00 0.00 WT3 O ATOM 47375 H1 TIP3 8938 23.378 34.151 48.379 1.00 0.00 WT3 H ATOM 47376 H2 TIP3 8938 24.113 35.299 49.038 1.00 0.00 WT3 H ATOM 47377 OH2 TIP3 8939 44.169 2.282 9.253 1.00 0.00 WT3 O ATOM 47378 H1 TIP3 8939 43.708 3.096 9.456 1.00 0.00 WT3 H ATOM 47379 H2 TIP3 8939 43.516 1.742 8.807 1.00 0.00 WT3 H ATOM 47380 OH2 TIP3 8940 44.135 70.507 -12.747 1.00 0.00 WT3 O ATOM 47381 H1 TIP3 8940 44.432 70.917 -11.935 1.00 0.00 WT3 H ATOM 47382 H2 TIP3 8940 43.587 71.172 -13.165 1.00 0.00 WT3 H ATOM 47383 OH2 TIP3 8941 50.854 92.834 65.966 1.00 0.00 WT3 O ATOM 47384 H1 TIP3 8941 50.385 92.360 65.279 1.00 0.00 WT3 H ATOM 47385 H2 TIP3 8941 51.637 92.309 66.128 1.00 0.00 WT3 H ATOM 47386 OH2 TIP3 8942 49.498 5.766 36.332 1.00 0.00 WT3 O ATOM 47387 H1 TIP3 8942 49.964 5.168 36.915 1.00 0.00 WT3 H ATOM 47388 H2 TIP3 8942 50.059 6.541 36.284 1.00 0.00 WT3 H ATOM 47389 OH2 TIP3 8943 25.706 24.654 -1.129 1.00 0.00 WT3 O ATOM 47390 H1 TIP3 8943 26.579 24.392 -0.837 1.00 0.00 WT3 H ATOM 47391 H2 TIP3 8943 25.845 25.486 -1.582 1.00 0.00 WT3 H ATOM 47392 OH2 TIP3 8944 37.614 92.923 38.369 1.00 0.00 WT3 O ATOM 47393 H1 TIP3 8944 37.943 92.188 37.850 1.00 0.00 WT3 H ATOM 47394 H2 TIP3 8944 36.682 92.738 38.483 1.00 0.00 WT3 H ATOM 47395 OH2 TIP3 8945 70.237 2.754 -17.783 1.00 0.00 WT3 O ATOM 47396 H1 TIP3 8945 69.740 3.558 -17.630 1.00 0.00 WT3 H ATOM 47397 H2 TIP3 8945 70.531 2.485 -16.912 1.00 0.00 WT3 H ATOM 47398 OH2 TIP3 8946 38.659 0.551 44.230 1.00 0.00 WT3 O ATOM 47399 H1 TIP3 8946 38.959 0.232 43.379 1.00 0.00 WT3 H ATOM 47400 H2 TIP3 8946 37.721 0.703 44.112 1.00 0.00 WT3 H ATOM 47401 OH2 TIP3 8947 47.939 41.495 -12.442 1.00 0.00 WT3 O ATOM 47402 H1 TIP3 8947 47.973 41.797 -13.350 1.00 0.00 WT3 H ATOM 47403 H2 TIP3 8947 48.365 40.638 -12.458 1.00 0.00 WT3 H ATOM 47404 OH2 TIP3 8948 47.115 71.789 -17.468 1.00 0.00 WT3 O ATOM 47405 H1 TIP3 8948 47.781 71.103 -17.514 1.00 0.00 WT3 H ATOM 47406 H2 TIP3 8948 47.350 72.399 -18.167 1.00 0.00 WT3 H ATOM 47407 OH2 TIP3 8949 43.068 96.062 1.353 1.00 0.00 WT3 O ATOM 47408 H1 TIP3 8949 42.725 96.853 0.938 1.00 0.00 WT3 H ATOM 47409 H2 TIP3 8949 43.851 96.357 1.819 1.00 0.00 WT3 H ATOM 47410 OH2 TIP3 8951 26.002 80.333 -17.526 1.00 0.00 WT3 O ATOM 47411 H1 TIP3 8951 25.426 80.626 -18.232 1.00 0.00 WT3 H ATOM 47412 H2 TIP3 8951 25.414 79.921 -16.893 1.00 0.00 WT3 H ATOM 47413 OH2 TIP3 8952 24.758 72.801 30.440 1.00 0.00 WT3 O ATOM 47414 H1 TIP3 8952 24.877 72.377 29.590 1.00 0.00 WT3 H ATOM 47415 H2 TIP3 8952 25.642 72.871 30.800 1.00 0.00 WT3 H ATOM 47416 OH2 TIP3 8953 54.238 4.152 23.653 1.00 0.00 WT3 O ATOM 47417 H1 TIP3 8953 53.886 4.897 23.165 1.00 0.00 WT3 H ATOM 47418 H2 TIP3 8953 53.679 4.086 24.427 1.00 0.00 WT3 H ATOM 47419 OH2 TIP3 8954 61.533 4.911 0.443 1.00 0.00 WT3 O ATOM 47420 H1 TIP3 8954 61.887 5.038 -0.437 1.00 0.00 WT3 H ATOM 47421 H2 TIP3 8954 61.088 4.065 0.403 1.00 0.00 WT3 H ATOM 47422 OH2 TIP3 8956 38.070 94.567 32.731 1.00 0.00 WT3 O ATOM 47423 H1 TIP3 8956 38.005 93.738 33.204 1.00 0.00 WT3 H ATOM 47424 H2 TIP3 8956 37.546 94.435 31.941 1.00 0.00 WT3 H ATOM 47425 OH2 TIP3 8958 75.689 85.908 60.921 1.00 0.00 WT3 O ATOM 47426 H1 TIP3 8958 76.511 85.462 60.717 1.00 0.00 WT3 H ATOM 47427 H2 TIP3 8958 75.614 85.850 61.873 1.00 0.00 WT3 H ATOM 47428 OH2 TIP3 8959 55.500 89.703 33.344 1.00 0.00 WT3 O ATOM 47429 H1 TIP3 8959 54.780 89.210 33.737 1.00 0.00 WT3 H ATOM 47430 H2 TIP3 8959 56.282 89.188 33.546 1.00 0.00 WT3 H ATOM 47431 OH2 TIP3 8960 31.506 84.069 48.291 1.00 0.00 WT3 O ATOM 47432 H1 TIP3 8960 30.824 83.531 47.888 1.00 0.00 WT3 H ATOM 47433 H2 TIP3 8960 32.327 83.695 47.972 1.00 0.00 WT3 H ATOM 47434 OH2 TIP3 8961 31.817 72.676 47.881 1.00 0.00 WT3 O ATOM 47435 H1 TIP3 8961 32.211 72.530 47.021 1.00 0.00 WT3 H ATOM 47436 H2 TIP3 8961 32.549 72.614 48.494 1.00 0.00 WT3 H ATOM 47437 OH2 TIP3 8962 75.940 42.757 45.893 1.00 0.00 WT3 O ATOM 47438 H1 TIP3 8962 76.188 41.922 46.292 1.00 0.00 WT3 H ATOM 47439 H2 TIP3 8962 75.804 42.549 44.968 1.00 0.00 WT3 H ATOM 47440 OH2 TIP3 8965 30.089 80.083 6.334 1.00 0.00 WT3 O ATOM 47441 H1 TIP3 8965 29.548 79.367 6.666 1.00 0.00 WT3 H ATOM 47442 H2 TIP3 8965 30.956 79.695 6.217 1.00 0.00 WT3 H ATOM 47443 OH2 TIP3 8966 63.614 4.366 2.468 1.00 0.00 WT3 O ATOM 47444 H1 TIP3 8966 63.373 3.863 3.246 1.00 0.00 WT3 H ATOM 47445 H2 TIP3 8966 62.964 4.117 1.810 1.00 0.00 WT3 H ATOM 47446 OH2 TIP3 8969 34.299 88.802 64.614 1.00 0.00 WT3 O ATOM 47447 H1 TIP3 8969 35.084 88.263 64.514 1.00 0.00 WT3 H ATOM 47448 H2 TIP3 8969 34.439 89.542 64.024 1.00 0.00 WT3 H ATOM 47449 OH2 TIP3 8970 77.963 87.506 48.779 1.00 0.00 WT3 O ATOM 47450 H1 TIP3 8970 78.891 87.671 48.944 1.00 0.00 WT3 H ATOM 47451 H2 TIP3 8970 77.951 86.996 47.969 1.00 0.00 WT3 H ATOM 47452 OH2 TIP3 8971 89.679 84.523 30.026 1.00 0.00 WT3 O ATOM 47453 H1 TIP3 8971 90.379 84.655 29.387 1.00 0.00 WT3 H ATOM 47454 H2 TIP3 8971 89.410 83.613 29.903 1.00 0.00 WT3 H ATOM 47455 OH2 TIP3 8972 55.447 32.837 -13.721 1.00 0.00 WT3 O ATOM 47456 H1 TIP3 8972 55.443 33.053 -14.653 1.00 0.00 WT3 H ATOM 47457 H2 TIP3 8972 55.863 33.590 -13.301 1.00 0.00 WT3 H ATOM 47458 OH2 TIP3 8973 80.087 2.781 14.019 1.00 0.00 WT3 O ATOM 47459 H1 TIP3 8973 80.492 1.985 13.675 1.00 0.00 WT3 H ATOM 47460 H2 TIP3 8973 80.711 3.106 14.669 1.00 0.00 WT3 H ATOM 47461 OH2 TIP3 8974 26.171 12.666 55.332 1.00 0.00 WT3 O ATOM 47462 H1 TIP3 8974 26.946 13.223 55.405 1.00 0.00 WT3 H ATOM 47463 H2 TIP3 8974 26.441 11.953 54.754 1.00 0.00 WT3 H ATOM 47464 OH2 TIP3 8975 37.322 43.055 17.660 1.00 0.00 WT3 O ATOM 47465 H1 TIP3 8975 37.929 43.117 18.398 1.00 0.00 WT3 H ATOM 47466 H2 TIP3 8975 37.833 42.644 16.963 1.00 0.00 WT3 H ATOM 47467 OH2 TIP3 8976 39.408 88.121 36.588 1.00 0.00 WT3 O ATOM 47468 H1 TIP3 8976 38.560 88.005 37.016 1.00 0.00 WT3 H ATOM 47469 H2 TIP3 8976 39.926 87.369 36.875 1.00 0.00 WT3 H ATOM 47470 OH2 TIP3 8977 34.665 87.144 -5.176 1.00 0.00 WT3 O ATOM 47471 H1 TIP3 8977 35.256 86.449 -5.467 1.00 0.00 WT3 H ATOM 47472 H2 TIP3 8977 34.033 87.235 -5.889 1.00 0.00 WT3 H ATOM 47473 OH2 TIP3 8978 31.910 15.683 -15.329 1.00 0.00 WT3 O ATOM 47474 H1 TIP3 8978 31.161 15.303 -15.787 1.00 0.00 WT3 H ATOM 47475 H2 TIP3 8978 32.260 14.964 -14.803 1.00 0.00 WT3 H ATOM 47476 OH2 TIP3 8979 68.553 67.193 38.276 1.00 0.00 WT3 O ATOM 47477 H1 TIP3 8979 68.714 66.375 37.805 1.00 0.00 WT3 H ATOM 47478 H2 TIP3 8979 68.627 67.874 37.608 1.00 0.00 WT3 H ATOM 47479 OH2 TIP3 8980 89.521 26.730 62.203 1.00 0.00 WT3 O ATOM 47480 H1 TIP3 8980 89.959 26.234 62.895 1.00 0.00 WT3 H ATOM 47481 H2 TIP3 8980 90.082 27.493 62.062 1.00 0.00 WT3 H ATOM 47482 OH2 TIP3 8981 75.685 89.137 21.085 1.00 0.00 WT3 O ATOM 47483 H1 TIP3 8981 74.967 88.543 21.304 1.00 0.00 WT3 H ATOM 47484 H2 TIP3 8981 76.216 89.175 21.880 1.00 0.00 WT3 H ATOM 47485 OH2 TIP3 8982 75.577 70.100 26.858 1.00 0.00 WT3 O ATOM 47486 H1 TIP3 8982 76.110 69.306 26.829 1.00 0.00 WT3 H ATOM 47487 H2 TIP3 8982 74.695 69.789 27.062 1.00 0.00 WT3 H ATOM 47488 OH2 TIP3 8983 60.145 3.270 8.936 1.00 0.00 WT3 O ATOM 47489 H1 TIP3 8983 59.953 3.641 9.797 1.00 0.00 WT3 H ATOM 47490 H2 TIP3 8983 59.825 2.370 8.986 1.00 0.00 WT3 H ATOM 47491 OH2 TIP3 8984 67.438 50.283 34.493 1.00 0.00 WT3 O ATOM 47492 H1 TIP3 8984 67.230 50.412 35.419 1.00 0.00 WT3 H ATOM 47493 H2 TIP3 8984 66.748 50.754 34.025 1.00 0.00 WT3 H ATOM 47494 OH2 TIP3 8985 74.132 27.579 61.985 1.00 0.00 WT3 O ATOM 47495 H1 TIP3 8985 74.425 27.933 61.146 1.00 0.00 WT3 H ATOM 47496 H2 TIP3 8985 73.300 27.150 61.788 1.00 0.00 WT3 H ATOM 47497 OH2 TIP3 8986 72.887 28.308 6.018 1.00 0.00 WT3 O ATOM 47498 H1 TIP3 8986 72.029 27.954 6.251 1.00 0.00 WT3 H ATOM 47499 H2 TIP3 8986 72.699 29.170 5.647 1.00 0.00 WT3 H ATOM 47500 OH2 TIP3 8987 23.651 10.247 53.934 1.00 0.00 WT3 O ATOM 47501 H1 TIP3 8987 24.370 10.359 54.555 1.00 0.00 WT3 H ATOM 47502 H2 TIP3 8987 22.868 10.500 54.424 1.00 0.00 WT3 H ATOM 47503 OH2 TIP3 8988 57.285 95.801 2.764 1.00 0.00 WT3 O ATOM 47504 H1 TIP3 8988 56.389 96.089 2.941 1.00 0.00 WT3 H ATOM 47505 H2 TIP3 8988 57.414 95.048 3.340 1.00 0.00 WT3 H ATOM 47506 OH2 TIP3 8992 32.386 71.517 36.932 1.00 0.00 WT3 O ATOM 47507 H1 TIP3 8992 32.513 70.581 37.089 1.00 0.00 WT3 H ATOM 47508 H2 TIP3 8992 32.969 71.718 36.200 1.00 0.00 WT3 H ATOM 47509 OH2 TIP3 8993 79.194 77.259 53.746 1.00 0.00 WT3 O ATOM 47510 H1 TIP3 8993 78.358 76.886 54.026 1.00 0.00 WT3 H ATOM 47511 H2 TIP3 8993 78.984 77.747 52.949 1.00 0.00 WT3 H ATOM 47512 OH2 TIP3 8995 51.312 88.183 43.782 1.00 0.00 WT3 O ATOM 47513 H1 TIP3 8995 50.955 88.842 44.377 1.00 0.00 WT3 H ATOM 47514 H2 TIP3 8995 52.123 88.571 43.453 1.00 0.00 WT3 H ATOM 47515 OH2 TIP3 8996 87.344 25.327 37.067 1.00 0.00 WT3 O ATOM 47516 H1 TIP3 8996 87.763 25.266 37.925 1.00 0.00 WT3 H ATOM 47517 H2 TIP3 8996 87.396 24.440 36.711 1.00 0.00 WT3 H ATOM 47518 OH2 TIP3 8997 33.610 9.481 47.217 1.00 0.00 WT3 O ATOM 47519 H1 TIP3 8997 34.265 9.866 47.800 1.00 0.00 WT3 H ATOM 47520 H2 TIP3 8997 34.019 8.677 46.895 1.00 0.00 WT3 H ATOM 47521 OH2 TIP3 8998 70.301 21.998 -14.626 1.00 0.00 WT3 O ATOM 47522 H1 TIP3 8998 70.811 21.763 -13.851 1.00 0.00 WT3 H ATOM 47523 H2 TIP3 8998 70.957 22.246 -15.278 1.00 0.00 WT3 H ATOM 47524 OH2 TIP3 9001 27.479 46.375 12.067 1.00 0.00 WT3 O ATOM 47525 H1 TIP3 9001 27.936 46.418 12.907 1.00 0.00 WT3 H ATOM 47526 H2 TIP3 9001 26.615 46.022 12.281 1.00 0.00 WT3 H ATOM 47527 OH2 TIP3 9003 83.491 30.825 23.605 1.00 0.00 WT3 O ATOM 47528 H1 TIP3 9003 84.411 30.671 23.819 1.00 0.00 WT3 H ATOM 47529 H2 TIP3 9003 83.066 29.981 23.755 1.00 0.00 WT3 H ATOM 47530 OH2 TIP3 9004 28.837 91.656 18.110 1.00 0.00 WT3 O ATOM 47531 H1 TIP3 9004 29.084 90.968 17.491 1.00 0.00 WT3 H ATOM 47532 H2 TIP3 9004 28.570 91.184 18.899 1.00 0.00 WT3 H ATOM 47533 OH2 TIP3 9006 55.106 21.264 31.909 1.00 0.00 WT3 O ATOM 47534 H1 TIP3 9006 55.982 21.399 31.549 1.00 0.00 WT3 H ATOM 47535 H2 TIP3 9006 54.541 21.177 31.141 1.00 0.00 WT3 H ATOM 47536 OH2 TIP3 9008 64.283 30.189 -17.411 1.00 0.00 WT3 O ATOM 47537 H1 TIP3 9008 63.821 30.947 -17.053 1.00 0.00 WT3 H ATOM 47538 H2 TIP3 9008 63.719 29.444 -17.202 1.00 0.00 WT3 H ATOM 47539 OH2 TIP3 9009 21.785 57.068 27.137 1.00 0.00 WT3 O ATOM 47540 H1 TIP3 9009 22.260 57.864 27.375 1.00 0.00 WT3 H ATOM 47541 H2 TIP3 9009 21.277 57.313 26.364 1.00 0.00 WT3 H ATOM 47542 OH2 TIP3 9010 61.693 28.935 66.985 1.00 0.00 WT3 O ATOM 47543 H1 TIP3 9010 60.889 29.228 66.556 1.00 0.00 WT3 H ATOM 47544 H2 TIP3 9010 61.543 29.100 67.915 1.00 0.00 WT3 H ATOM 47545 OH2 TIP3 9014 56.363 23.524 -7.150 1.00 0.00 WT3 O ATOM 47546 H1 TIP3 9014 56.806 24.267 -6.739 1.00 0.00 WT3 H ATOM 47547 H2 TIP3 9014 55.624 23.336 -6.571 1.00 0.00 WT3 H ATOM 47548 OH2 TIP3 9015 81.914 53.308 14.534 1.00 0.00 WT3 O ATOM 47549 H1 TIP3 9015 81.513 52.678 15.133 1.00 0.00 WT3 H ATOM 47550 H2 TIP3 9015 82.751 52.911 14.293 1.00 0.00 WT3 H ATOM 47551 OH2 TIP3 9017 23.417 80.976 21.272 1.00 0.00 WT3 O ATOM 47552 H1 TIP3 9017 23.573 80.052 21.078 1.00 0.00 WT3 H ATOM 47553 H2 TIP3 9017 23.021 80.975 22.143 1.00 0.00 WT3 H ATOM 47554 OH2 TIP3 9018 24.410 36.724 64.937 1.00 0.00 WT3 O ATOM 47555 H1 TIP3 9018 23.706 37.367 65.024 1.00 0.00 WT3 H ATOM 47556 H2 TIP3 9018 24.219 36.270 64.116 1.00 0.00 WT3 H ATOM 47557 OH2 TIP3 9019 58.166 8.792 -0.794 1.00 0.00 WT3 O ATOM 47558 H1 TIP3 9019 57.955 7.862 -0.718 1.00 0.00 WT3 H ATOM 47559 H2 TIP3 9019 58.853 8.937 -0.144 1.00 0.00 WT3 H ATOM 47560 OH2 TIP3 9020 30.934 63.175 64.371 1.00 0.00 WT3 O ATOM 47561 H1 TIP3 9020 30.250 63.010 65.021 1.00 0.00 WT3 H ATOM 47562 H2 TIP3 9020 31.510 62.413 64.430 1.00 0.00 WT3 H ATOM 47563 OH2 TIP3 9022 70.204 49.943 33.083 1.00 0.00 WT3 O ATOM 47564 H1 TIP3 9022 69.530 50.622 33.098 1.00 0.00 WT3 H ATOM 47565 H2 TIP3 9022 70.966 50.370 32.692 1.00 0.00 WT3 H ATOM 47566 OH2 TIP3 9023 59.653 9.468 43.623 1.00 0.00 WT3 O ATOM 47567 H1 TIP3 9023 59.086 9.323 42.866 1.00 0.00 WT3 H ATOM 47568 H2 TIP3 9023 60.116 8.638 43.738 1.00 0.00 WT3 H ATOM 47569 OH2 TIP3 9024 39.002 46.005 19.593 1.00 0.00 WT3 O ATOM 47570 H1 TIP3 9024 39.827 45.635 19.279 1.00 0.00 WT3 H ATOM 47571 H2 TIP3 9024 38.901 45.650 20.476 1.00 0.00 WT3 H ATOM 47572 OH2 TIP3 9026 26.128 95.719 46.927 1.00 0.00 WT3 O ATOM 47573 H1 TIP3 9026 26.219 94.785 47.112 1.00 0.00 WT3 H ATOM 47574 H2 TIP3 9026 27.022 96.022 46.770 1.00 0.00 WT3 H ATOM 47575 OH2 TIP3 9027 62.143 54.311 19.920 1.00 0.00 WT3 O ATOM 47576 H1 TIP3 9027 62.311 54.122 18.996 1.00 0.00 WT3 H ATOM 47577 H2 TIP3 9027 61.586 55.088 19.909 1.00 0.00 WT3 H ATOM 47578 OH2 TIP3 9030 39.805 78.606 23.351 1.00 0.00 WT3 O ATOM 47579 H1 TIP3 9030 40.045 77.716 23.092 1.00 0.00 WT3 H ATOM 47580 H2 TIP3 9030 40.626 79.000 23.646 1.00 0.00 WT3 H ATOM 47581 OH2 TIP3 9039 86.964 80.919 46.461 1.00 0.00 WT3 O ATOM 47582 H1 TIP3 9039 87.565 81.250 47.128 1.00 0.00 WT3 H ATOM 47583 H2 TIP3 9039 87.368 81.168 45.629 1.00 0.00 WT3 H ATOM 47584 OH2 TIP3 9041 39.334 78.477 32.569 1.00 0.00 WT3 O ATOM 47585 H1 TIP3 9041 39.990 77.959 33.035 1.00 0.00 WT3 H ATOM 47586 H2 TIP3 9041 39.319 78.107 31.686 1.00 0.00 WT3 H ATOM 47587 OH2 TIP3 9042 89.707 91.818 25.733 1.00 0.00 WT3 O ATOM 47588 H1 TIP3 9042 89.598 91.791 24.783 1.00 0.00 WT3 H ATOM 47589 H2 TIP3 9042 88.874 92.155 26.061 1.00 0.00 WT3 H ATOM 47590 OH2 TIP3 9047 41.940 20.353 66.217 1.00 0.00 WT3 O ATOM 47591 H1 TIP3 9047 41.257 20.784 65.703 1.00 0.00 WT3 H ATOM 47592 H2 TIP3 9047 41.522 20.156 67.055 1.00 0.00 WT3 H ATOM 47593 OH2 TIP3 9050 30.168 83.091 1.143 1.00 0.00 WT3 O ATOM 47594 H1 TIP3 9050 29.947 82.315 0.628 1.00 0.00 WT3 H ATOM 47595 H2 TIP3 9050 30.899 83.492 0.671 1.00 0.00 WT3 H ATOM 47596 OH2 TIP3 9053 33.854 85.003 54.045 1.00 0.00 WT3 O ATOM 47597 H1 TIP3 9053 33.102 85.494 53.713 1.00 0.00 WT3 H ATOM 47598 H2 TIP3 9053 34.503 85.673 54.258 1.00 0.00 WT3 H ATOM 47599 OH2 TIP3 9054 46.689 57.802 2.670 1.00 0.00 WT3 O ATOM 47600 H1 TIP3 9054 47.604 58.018 2.493 1.00 0.00 WT3 H ATOM 47601 H2 TIP3 9054 46.552 58.065 3.580 1.00 0.00 WT3 H ATOM 47602 OH2 TIP3 9055 63.405 2.325 24.597 1.00 0.00 WT3 O ATOM 47603 H1 TIP3 9055 63.798 1.952 25.386 1.00 0.00 WT3 H ATOM 47604 H2 TIP3 9055 64.079 2.229 23.924 1.00 0.00 WT3 H ATOM 47605 OH2 TIP3 9057 61.163 59.874 43.077 1.00 0.00 WT3 O ATOM 47606 H1 TIP3 9057 61.051 60.695 42.599 1.00 0.00 WT3 H ATOM 47607 H2 TIP3 9057 60.272 59.554 43.216 1.00 0.00 WT3 H ATOM 47608 OH2 TIP3 9060 31.824 4.976 22.354 1.00 0.00 WT3 O ATOM 47609 H1 TIP3 9060 31.319 5.763 22.150 1.00 0.00 WT3 H ATOM 47610 H2 TIP3 9060 32.570 5.295 22.863 1.00 0.00 WT3 H ATOM 47611 OH2 TIP3 9061 82.790 43.417 1.843 1.00 0.00 WT3 O ATOM 47612 H1 TIP3 9061 82.786 44.086 2.528 1.00 0.00 WT3 H ATOM 47613 H2 TIP3 9061 82.624 42.597 2.308 1.00 0.00 WT3 H ATOM 47614 OH2 TIP3 9063 68.227 32.801 9.442 1.00 0.00 WT3 O ATOM 47615 H1 TIP3 9063 67.732 33.617 9.518 1.00 0.00 WT3 H ATOM 47616 H2 TIP3 9063 68.759 32.767 10.237 1.00 0.00 WT3 H ATOM 47617 OH2 TIP3 9066 39.423 7.399 -2.319 1.00 0.00 WT3 O ATOM 47618 H1 TIP3 9066 39.781 7.081 -1.491 1.00 0.00 WT3 H ATOM 47619 H2 TIP3 9066 39.341 6.614 -2.862 1.00 0.00 WT3 H ATOM 47620 OH2 TIP3 9067 82.255 18.695 -19.236 1.00 0.00 WT3 O ATOM 47621 H1 TIP3 9067 83.152 18.465 -18.992 1.00 0.00 WT3 H ATOM 47622 H2 TIP3 9067 81.730 18.459 -18.472 1.00 0.00 WT3 H ATOM 47623 OH2 TIP3 9070 56.892 91.659 -4.608 1.00 0.00 WT3 O ATOM 47624 H1 TIP3 9070 57.803 91.622 -4.899 1.00 0.00 WT3 H ATOM 47625 H2 TIP3 9070 56.679 92.592 -4.601 1.00 0.00 WT3 H ATOM 47626 OH2 TIP3 9072 86.660 68.323 -13.494 1.00 0.00 WT3 O ATOM 47627 H1 TIP3 9072 86.767 69.270 -13.405 1.00 0.00 WT3 H ATOM 47628 H2 TIP3 9072 86.307 68.040 -12.651 1.00 0.00 WT3 H ATOM 47629 OH2 TIP3 9082 86.364 87.060 60.506 1.00 0.00 WT3 O ATOM 47630 H1 TIP3 9082 86.420 86.479 61.264 1.00 0.00 WT3 H ATOM 47631 H2 TIP3 9082 86.830 86.594 59.812 1.00 0.00 WT3 H ATOM 47632 OH2 TIP3 9084 53.906 8.933 61.583 1.00 0.00 WT3 O ATOM 47633 H1 TIP3 9084 53.873 7.979 61.650 1.00 0.00 WT3 H ATOM 47634 H2 TIP3 9084 53.963 9.235 62.489 1.00 0.00 WT3 H ATOM 47635 OH2 TIP3 9090 89.187 66.406 64.981 1.00 0.00 WT3 O ATOM 47636 H1 TIP3 9090 89.168 65.469 65.174 1.00 0.00 WT3 H ATOM 47637 H2 TIP3 9090 89.128 66.829 65.838 1.00 0.00 WT3 H ATOM 47638 OH2 TIP3 9094 61.839 73.992 26.562 1.00 0.00 WT3 O ATOM 47639 H1 TIP3 9094 61.506 73.961 27.459 1.00 0.00 WT3 H ATOM 47640 H2 TIP3 9094 61.066 74.162 26.025 1.00 0.00 WT3 H ATOM 47641 OH2 TIP3 9096 66.210 77.090 13.599 1.00 0.00 WT3 O ATOM 47642 H1 TIP3 9096 65.984 76.186 13.384 1.00 0.00 WT3 H ATOM 47643 H2 TIP3 9096 66.039 77.578 12.793 1.00 0.00 WT3 H ATOM 47644 OH2 TIP3 9109 62.803 56.607 52.339 1.00 0.00 WT3 O ATOM 47645 H1 TIP3 9109 62.105 55.955 52.405 1.00 0.00 WT3 H ATOM 47646 H2 TIP3 9109 63.599 56.093 52.205 1.00 0.00 WT3 H ATOM 47647 OH2 TIP3 9117 86.628 21.472 32.688 1.00 0.00 WT3 O ATOM 47648 H1 TIP3 9117 86.948 20.637 32.346 1.00 0.00 WT3 H ATOM 47649 H2 TIP3 9117 87.104 22.135 32.187 1.00 0.00 WT3 H ATOM 47650 OH2 TIP3 9129 74.501 59.410 -9.765 1.00 0.00 WT3 O ATOM 47651 H1 TIP3 9129 73.683 59.335 -9.273 1.00 0.00 WT3 H ATOM 47652 H2 TIP3 9129 74.400 60.212 -10.277 1.00 0.00 WT3 H ATOM 47653 OH2 TIP3 9137 66.366 40.567 21.099 1.00 0.00 WT3 O ATOM 47654 H1 TIP3 9137 65.669 40.561 21.755 1.00 0.00 WT3 H ATOM 47655 H2 TIP3 9137 66.608 39.647 20.997 1.00 0.00 WT3 H ATOM 47656 OH2 TIP3 9146 64.349 10.148 43.769 1.00 0.00 WT3 O ATOM 47657 H1 TIP3 9146 63.788 9.555 43.270 1.00 0.00 WT3 H ATOM 47658 H2 TIP3 9146 63.741 10.747 44.202 1.00 0.00 WT3 H ATOM 47659 OH2 TIP3 9151 46.845 80.160 14.192 1.00 0.00 WT3 O ATOM 47660 H1 TIP3 9151 45.897 80.284 14.247 1.00 0.00 WT3 H ATOM 47661 H2 TIP3 9151 46.994 79.284 14.546 1.00 0.00 WT3 H ATOM 47662 OH2 TIP3 9165 77.817 57.656 -13.375 1.00 0.00 WT3 O ATOM 47663 H1 TIP3 9165 78.027 57.097 -12.627 1.00 0.00 WT3 H ATOM 47664 H2 TIP3 9165 77.739 58.535 -13.004 1.00 0.00 WT3 H ATOM 47665 OH2 TIP3 9168 35.414 38.961 -2.006 1.00 0.00 WT3 O ATOM 47666 H1 TIP3 9168 34.930 39.191 -1.213 1.00 0.00 WT3 H ATOM 47667 H2 TIP3 9168 35.895 39.757 -2.233 1.00 0.00 WT3 H ATOM 47668 OH2 TIP3 9169 86.149 38.514 17.027 1.00 0.00 WT3 O ATOM 47669 H1 TIP3 9169 85.624 37.944 16.464 1.00 0.00 WT3 H ATOM 47670 H2 TIP3 9169 87.046 38.404 16.710 1.00 0.00 WT3 H ATOM 47671 OH2 TIP3 9178 90.599 43.921 42.878 1.00 0.00 WT3 O ATOM 47672 H1 TIP3 9178 90.375 44.839 42.726 1.00 0.00 WT3 H ATOM 47673 H2 TIP3 9178 90.487 43.799 43.821 1.00 0.00 WT3 H ATOM 47674 OH2 TIP3 9201 33.788 88.055 55.330 1.00 0.00 WT3 O ATOM 47675 H1 TIP3 9201 32.943 88.042 54.881 1.00 0.00 WT3 H ATOM 47676 H2 TIP3 9201 34.264 88.782 54.928 1.00 0.00 WT3 H ATOM 47677 OH2 TIP3 9210 34.699 35.044 25.952 1.00 0.00 WT3 O ATOM 47678 H1 TIP3 9210 35.607 35.074 26.253 1.00 0.00 WT3 H ATOM 47679 H2 TIP3 9210 34.747 34.636 25.087 1.00 0.00 WT3 H ATOM 47680 OH2 TIP3 9212 90.173 62.766 30.819 1.00 0.00 WT3 O ATOM 47681 H1 TIP3 9212 89.976 62.202 31.567 1.00 0.00 WT3 H ATOM 47682 H2 TIP3 9212 89.518 62.530 30.162 1.00 0.00 WT3 H ATOM 47683 OH2 TIP3 9214 77.386 55.094 39.947 1.00 0.00 WT3 O ATOM 47684 H1 TIP3 9214 77.141 54.866 39.050 1.00 0.00 WT3 H ATOM 47685 H2 TIP3 9214 77.886 54.340 40.259 1.00 0.00 WT3 H ATOM 47686 OH2 TIP3 9226 74.709 50.572 -5.115 1.00 0.00 WT3 O ATOM 47687 H1 TIP3 9226 73.804 50.467 -4.820 1.00 0.00 WT3 H ATOM 47688 H2 TIP3 9226 75.222 50.036 -4.510 1.00 0.00 WT3 H ATOM 47689 OH2 TIP3 9230 47.134 83.302 58.353 1.00 0.00 WT3 O ATOM 47690 H1 TIP3 9230 47.422 82.431 58.629 1.00 0.00 WT3 H ATOM 47691 H2 TIP3 9230 47.323 83.866 59.102 1.00 0.00 WT3 H ATOM 47692 OH2 TIP3 9231 51.176 3.395 -8.595 1.00 0.00 WT3 O ATOM 47693 H1 TIP3 9231 51.522 3.968 -7.911 1.00 0.00 WT3 H ATOM 47694 H2 TIP3 9231 51.806 2.677 -8.648 1.00 0.00 WT3 H ATOM 47695 OH2 TIP3 9234 86.777 79.629 15.392 1.00 0.00 WT3 O ATOM 47696 H1 TIP3 9234 86.221 80.408 15.362 1.00 0.00 WT3 H ATOM 47697 H2 TIP3 9234 86.162 78.896 15.403 1.00 0.00 WT3 H ATOM 47698 OH2 TIP3 9240 24.679 85.626 11.535 1.00 0.00 WT3 O ATOM 47699 H1 TIP3 9240 24.268 84.790 11.754 1.00 0.00 WT3 H ATOM 47700 H2 TIP3 9240 25.327 85.764 12.226 1.00 0.00 WT3 H ATOM 47701 OH2 TIP3 9241 30.685 63.038 52.062 1.00 0.00 WT3 O ATOM 47702 H1 TIP3 9241 31.268 62.885 51.318 1.00 0.00 WT3 H ATOM 47703 H2 TIP3 9241 30.496 63.975 52.029 1.00 0.00 WT3 H ATOM 47704 OH2 TIP3 9243 49.748 89.748 54.824 1.00 0.00 WT3 O ATOM 47705 H1 TIP3 9243 49.542 88.916 55.250 1.00 0.00 WT3 H ATOM 47706 H2 TIP3 9243 50.685 89.696 54.634 1.00 0.00 WT3 H ATOM 47707 OH2 TIP3 9246 85.044 64.626 16.416 1.00 0.00 WT3 O ATOM 47708 H1 TIP3 9246 84.214 65.065 16.229 1.00 0.00 WT3 H ATOM 47709 H2 TIP3 9246 85.471 64.546 15.563 1.00 0.00 WT3 H ATOM 47710 OH2 TIP3 9250 39.350 55.440 -0.898 1.00 0.00 WT3 O ATOM 47711 H1 TIP3 9250 39.148 55.732 -1.787 1.00 0.00 WT3 H ATOM 47712 H2 TIP3 9250 39.914 56.126 -0.542 1.00 0.00 WT3 H ATOM 47713 OH2 TIP3 9252 38.577 75.362 56.536 1.00 0.00 WT3 O ATOM 47714 H1 TIP3 9252 38.088 76.085 56.144 1.00 0.00 WT3 H ATOM 47715 H2 TIP3 9252 37.938 74.653 56.614 1.00 0.00 WT3 H ATOM 47716 OH2 TIP3 9253 64.327 35.074 22.640 1.00 0.00 WT3 O ATOM 47717 H1 TIP3 9253 63.565 35.654 22.650 1.00 0.00 WT3 H ATOM 47718 H2 TIP3 9253 63.959 34.196 22.545 1.00 0.00 WT3 H ATOM 47719 OH2 TIP3 9255 65.862 68.281 0.559 1.00 0.00 WT3 O ATOM 47720 H1 TIP3 9255 66.580 68.602 1.104 1.00 0.00 WT3 H ATOM 47721 H2 TIP3 9255 65.664 69.009 -0.030 1.00 0.00 WT3 H ATOM 47722 OH2 TIP3 9257 82.425 50.777 38.430 1.00 0.00 WT3 O ATOM 47723 H1 TIP3 9257 82.954 51.457 38.013 1.00 0.00 WT3 H ATOM 47724 H2 TIP3 9257 81.595 50.792 37.953 1.00 0.00 WT3 H ATOM 47725 OH2 TIP3 9260 71.812 14.587 50.819 1.00 0.00 WT3 O ATOM 47726 H1 TIP3 9260 72.000 15.189 51.539 1.00 0.00 WT3 H ATOM 47727 H2 TIP3 9260 70.857 14.540 50.788 1.00 0.00 WT3 H ATOM 47728 OH2 TIP3 9261 71.287 69.011 -14.723 1.00 0.00 WT3 O ATOM 47729 H1 TIP3 9261 70.430 68.584 -14.722 1.00 0.00 WT3 H ATOM 47730 H2 TIP3 9261 71.249 69.627 -13.992 1.00 0.00 WT3 H ATOM 47731 OH2 TIP3 4 64.994 53.852 27.514 1.00 0.00 WT4 O ATOM 47732 H1 TIP3 4 64.157 53.442 27.295 1.00 0.00 WT4 H ATOM 47733 H2 TIP3 4 64.925 54.740 27.162 1.00 0.00 WT4 H ATOM 47734 OH2 TIP3 5 33.571 38.513 3.184 1.00 0.00 WT4 O ATOM 47735 H1 TIP3 5 33.456 39.253 3.780 1.00 0.00 WT4 H ATOM 47736 H2 TIP3 5 33.756 37.770 3.758 1.00 0.00 WT4 H ATOM 47737 OH2 TIP3 7 42.703 7.260 -12.393 1.00 0.00 WT4 O ATOM 47738 H1 TIP3 7 41.817 6.900 -12.437 1.00 0.00 WT4 H ATOM 47739 H2 TIP3 7 42.786 7.791 -13.185 1.00 0.00 WT4 H ATOM 47740 OH2 TIP3 11 21.108 89.504 21.517 1.00 0.00 WT4 O ATOM 47741 H1 TIP3 11 20.903 90.439 21.536 1.00 0.00 WT4 H ATOM 47742 H2 TIP3 11 21.817 89.428 20.878 1.00 0.00 WT4 H ATOM 47743 OH2 TIP3 21 83.367 58.257 39.601 1.00 0.00 WT4 O ATOM 47744 H1 TIP3 21 83.499 58.719 40.429 1.00 0.00 WT4 H ATOM 47745 H2 TIP3 21 82.687 58.758 39.152 1.00 0.00 WT4 H ATOM 47746 OH2 TIP3 22 76.072 32.024 -8.801 1.00 0.00 WT4 O ATOM 47747 H1 TIP3 22 75.878 32.929 -8.555 1.00 0.00 WT4 H ATOM 47748 H2 TIP3 22 75.504 31.496 -8.239 1.00 0.00 WT4 H ATOM 47749 OH2 TIP3 23 38.133 51.227 -2.050 1.00 0.00 WT4 O ATOM 47750 H1 TIP3 23 38.999 50.946 -1.755 1.00 0.00 WT4 H ATOM 47751 H2 TIP3 23 37.682 50.415 -2.279 1.00 0.00 WT4 H ATOM 47752 OH2 TIP3 24 69.859 62.549 22.588 1.00 0.00 WT4 O ATOM 47753 H1 TIP3 24 69.098 62.177 23.034 1.00 0.00 WT4 H ATOM 47754 H2 TIP3 24 70.481 62.737 23.292 1.00 0.00 WT4 H ATOM 47755 OH2 TIP3 25 60.693 52.792 39.116 1.00 0.00 WT4 O ATOM 47756 H1 TIP3 25 59.922 53.162 39.547 1.00 0.00 WT4 H ATOM 47757 H2 TIP3 25 61.142 53.548 38.737 1.00 0.00 WT4 H ATOM 47758 OH2 TIP3 27 52.631 48.687 -16.078 1.00 0.00 WT4 O ATOM 47759 H1 TIP3 27 52.667 47.981 -15.434 1.00 0.00 WT4 H ATOM 47760 H2 TIP3 27 52.717 49.488 -15.561 1.00 0.00 WT4 H ATOM 47761 OH2 TIP3 29 90.514 82.413 64.216 1.00 0.00 WT4 O ATOM 47762 H1 TIP3 29 89.801 82.713 63.652 1.00 0.00 WT4 H ATOM 47763 H2 TIP3 29 90.902 81.678 63.742 1.00 0.00 WT4 H ATOM 47764 OH2 TIP3 31 68.469 95.193 48.529 1.00 0.00 WT4 O ATOM 47765 H1 TIP3 31 68.993 95.107 49.326 1.00 0.00 WT4 H ATOM 47766 H2 TIP3 31 67.593 95.419 48.842 1.00 0.00 WT4 H ATOM 47767 OH2 TIP3 43 28.673 46.791 55.798 1.00 0.00 WT4 O ATOM 47768 H1 TIP3 43 29.027 47.675 55.695 1.00 0.00 WT4 H ATOM 47769 H2 TIP3 43 28.774 46.391 54.934 1.00 0.00 WT4 H ATOM 47770 OH2 TIP3 44 37.666 89.223 66.184 1.00 0.00 WT4 O ATOM 47771 H1 TIP3 44 37.222 88.500 65.740 1.00 0.00 WT4 H ATOM 47772 H2 TIP3 44 38.306 89.539 65.546 1.00 0.00 WT4 H ATOM 47773 OH2 TIP3 46 20.582 50.572 -11.517 1.00 0.00 WT4 O ATOM 47774 H1 TIP3 46 20.123 51.346 -11.190 1.00 0.00 WT4 H ATOM 47775 H2 TIP3 46 20.140 49.835 -11.096 1.00 0.00 WT4 H ATOM 47776 OH2 TIP3 47 51.914 68.302 57.037 1.00 0.00 WT4 O ATOM 47777 H1 TIP3 47 51.569 67.515 57.459 1.00 0.00 WT4 H ATOM 47778 H2 TIP3 47 51.698 68.193 56.111 1.00 0.00 WT4 H ATOM 47779 OH2 TIP3 48 64.192 24.320 48.907 1.00 0.00 WT4 O ATOM 47780 H1 TIP3 48 64.477 24.713 48.081 1.00 0.00 WT4 H ATOM 47781 H2 TIP3 48 64.032 23.401 48.692 1.00 0.00 WT4 H ATOM 47782 OH2 TIP3 50 33.869 68.287 2.198 1.00 0.00 WT4 O ATOM 47783 H1 TIP3 50 33.525 68.589 3.038 1.00 0.00 WT4 H ATOM 47784 H2 TIP3 50 33.355 67.506 1.994 1.00 0.00 WT4 H ATOM 47785 OH2 TIP3 64 43.049 81.826 -11.799 1.00 0.00 WT4 O ATOM 47786 H1 TIP3 64 42.794 82.428 -11.100 1.00 0.00 WT4 H ATOM 47787 H2 TIP3 64 42.416 81.110 -11.742 1.00 0.00 WT4 H ATOM 47788 OH2 TIP3 66 68.423 29.855 46.021 1.00 0.00 WT4 O ATOM 47789 H1 TIP3 66 67.619 29.402 45.767 1.00 0.00 WT4 H ATOM 47790 H2 TIP3 66 68.985 29.800 45.248 1.00 0.00 WT4 H ATOM 47791 OH2 TIP3 67 70.651 53.808 65.130 1.00 0.00 WT4 O ATOM 47792 H1 TIP3 67 70.801 53.052 65.698 1.00 0.00 WT4 H ATOM 47793 H2 TIP3 67 69.995 53.509 64.501 1.00 0.00 WT4 H ATOM 47794 OH2 TIP3 68 40.015 63.391 49.170 1.00 0.00 WT4 O ATOM 47795 H1 TIP3 68 40.314 63.719 48.322 1.00 0.00 WT4 H ATOM 47796 H2 TIP3 68 40.782 63.457 49.738 1.00 0.00 WT4 H ATOM 47797 OH2 TIP3 69 44.172 62.863 40.968 1.00 0.00 WT4 O ATOM 47798 H1 TIP3 69 44.253 62.779 41.918 1.00 0.00 WT4 H ATOM 47799 H2 TIP3 69 44.668 63.653 40.754 1.00 0.00 WT4 H ATOM 47800 OH2 TIP3 70 50.117 61.398 47.710 1.00 0.00 WT4 O ATOM 47801 H1 TIP3 70 49.304 61.043 47.350 1.00 0.00 WT4 H ATOM 47802 H2 TIP3 70 50.799 61.087 47.115 1.00 0.00 WT4 H ATOM 47803 OH2 TIP3 72 67.886 87.486 -15.634 1.00 0.00 WT4 O ATOM 47804 H1 TIP3 72 67.555 88.231 -15.132 1.00 0.00 WT4 H ATOM 47805 H2 TIP3 72 67.136 86.897 -15.711 1.00 0.00 WT4 H ATOM 47806 OH2 TIP3 83 88.441 91.847 56.449 1.00 0.00 WT4 O ATOM 47807 H1 TIP3 83 88.824 92.655 56.105 1.00 0.00 WT4 H ATOM 47808 H2 TIP3 83 87.642 92.131 56.893 1.00 0.00 WT4 H ATOM 47809 OH2 TIP3 86 42.790 45.627 57.965 1.00 0.00 WT4 O ATOM 47810 H1 TIP3 86 42.460 46.525 57.988 1.00 0.00 WT4 H ATOM 47811 H2 TIP3 86 42.231 45.182 57.328 1.00 0.00 WT4 H ATOM 47812 OH2 TIP3 87 23.714 44.915 39.546 1.00 0.00 WT4 O ATOM 47813 H1 TIP3 87 23.619 45.850 39.365 1.00 0.00 WT4 H ATOM 47814 H2 TIP3 87 24.467 44.645 39.021 1.00 0.00 WT4 H ATOM 47815 OH2 TIP3 88 83.171 77.382 40.342 1.00 0.00 WT4 O ATOM 47816 H1 TIP3 88 82.947 77.276 41.266 1.00 0.00 WT4 H ATOM 47817 H2 TIP3 88 82.756 76.637 39.907 1.00 0.00 WT4 H ATOM 47818 OH2 TIP3 90 87.335 87.142 15.496 1.00 0.00 WT4 O ATOM 47819 H1 TIP3 90 88.121 87.359 15.998 1.00 0.00 WT4 H ATOM 47820 H2 TIP3 90 87.295 86.186 15.514 1.00 0.00 WT4 H ATOM 47821 OH2 TIP3 91 37.950 55.387 67.403 1.00 0.00 WT4 O ATOM 47822 H1 TIP3 91 37.204 54.918 67.778 1.00 0.00 WT4 H ATOM 47823 H2 TIP3 91 38.404 54.733 66.873 1.00 0.00 WT4 H ATOM 47824 OH2 TIP3 93 55.156 68.936 52.688 1.00 0.00 WT4 O ATOM 47825 H1 TIP3 93 54.798 69.014 51.804 1.00 0.00 WT4 H ATOM 47826 H2 TIP3 93 54.943 68.041 52.956 1.00 0.00 WT4 H ATOM 47827 OH2 TIP3 107 75.082 78.228 63.548 1.00 0.00 WT4 O ATOM 47828 H1 TIP3 107 74.437 78.026 64.225 1.00 0.00 WT4 H ATOM 47829 H2 TIP3 107 75.658 77.463 63.529 1.00 0.00 WT4 H ATOM 47830 OH2 TIP3 108 76.384 65.852 7.936 1.00 0.00 WT4 O ATOM 47831 H1 TIP3 108 75.931 66.686 8.064 1.00 0.00 WT4 H ATOM 47832 H2 TIP3 108 77.189 65.936 8.447 1.00 0.00 WT4 H ATOM 47833 OH2 TIP3 109 54.837 56.927 -9.594 1.00 0.00 WT4 O ATOM 47834 H1 TIP3 109 54.563 56.873 -8.679 1.00 0.00 WT4 H ATOM 47835 H2 TIP3 109 54.465 57.750 -9.909 1.00 0.00 WT4 H ATOM 47836 OH2 TIP3 110 44.288 93.085 66.862 1.00 0.00 WT4 O ATOM 47837 H1 TIP3 110 45.176 93.426 66.967 1.00 0.00 WT4 H ATOM 47838 H2 TIP3 110 43.805 93.439 67.609 1.00 0.00 WT4 H ATOM 47839 OH2 TIP3 111 42.075 47.853 30.695 1.00 0.00 WT4 O ATOM 47840 H1 TIP3 111 41.348 48.092 31.269 1.00 0.00 WT4 H ATOM 47841 H2 TIP3 111 41.754 48.036 29.812 1.00 0.00 WT4 H ATOM 47842 OH2 TIP3 112 24.470 10.785 45.602 1.00 0.00 WT4 O ATOM 47843 H1 TIP3 112 24.736 10.922 44.693 1.00 0.00 WT4 H ATOM 47844 H2 TIP3 112 23.872 10.039 45.567 1.00 0.00 WT4 H ATOM 47845 OH2 TIP3 113 87.180 78.696 -19.074 1.00 0.00 WT4 O ATOM 47846 H1 TIP3 113 86.310 78.307 -18.984 1.00 0.00 WT4 H ATOM 47847 H2 TIP3 113 87.473 78.839 -18.175 1.00 0.00 WT4 H ATOM 47848 OH2 TIP3 114 22.087 63.065 -13.650 1.00 0.00 WT4 O ATOM 47849 H1 TIP3 114 22.463 62.883 -14.511 1.00 0.00 WT4 H ATOM 47850 H2 TIP3 114 21.842 63.990 -13.685 1.00 0.00 WT4 H ATOM 47851 OH2 TIP3 129 60.616 26.922 26.499 1.00 0.00 WT4 O ATOM 47852 H1 TIP3 129 60.361 26.579 25.642 1.00 0.00 WT4 H ATOM 47853 H2 TIP3 129 59.980 27.614 26.679 1.00 0.00 WT4 H ATOM 47854 OH2 TIP3 130 35.469 23.646 44.232 1.00 0.00 WT4 O ATOM 47855 H1 TIP3 130 34.866 23.568 43.493 1.00 0.00 WT4 H ATOM 47856 H2 TIP3 130 34.900 23.715 44.999 1.00 0.00 WT4 H ATOM 47857 OH2 TIP3 132 67.192 70.352 -7.807 1.00 0.00 WT4 O ATOM 47858 H1 TIP3 132 66.996 69.794 -7.054 1.00 0.00 WT4 H ATOM 47859 H2 TIP3 132 67.744 69.810 -8.370 1.00 0.00 WT4 H ATOM 47860 OH2 TIP3 133 80.706 90.707 52.238 1.00 0.00 WT4 O ATOM 47861 H1 TIP3 133 79.902 90.687 51.719 1.00 0.00 WT4 H ATOM 47862 H2 TIP3 133 80.572 91.421 52.862 1.00 0.00 WT4 H ATOM 47863 OH2 TIP3 144 22.572 16.881 4.443 1.00 0.00 WT4 O ATOM 47864 H1 TIP3 144 23.336 17.292 4.038 1.00 0.00 WT4 H ATOM 47865 H2 TIP3 144 21.897 16.909 3.766 1.00 0.00 WT4 H ATOM 47866 OH2 TIP3 145 65.925 82.211 19.403 1.00 0.00 WT4 O ATOM 47867 H1 TIP3 145 65.760 81.270 19.350 1.00 0.00 WT4 H ATOM 47868 H2 TIP3 145 65.124 82.573 19.782 1.00 0.00 WT4 H ATOM 47869 OH2 TIP3 149 40.221 39.522 63.298 1.00 0.00 WT4 O ATOM 47870 H1 TIP3 149 40.234 40.253 62.680 1.00 0.00 WT4 H ATOM 47871 H2 TIP3 149 39.331 39.522 63.651 1.00 0.00 WT4 H ATOM 47872 OH2 TIP3 150 76.969 94.805 25.037 1.00 0.00 WT4 O ATOM 47873 H1 TIP3 150 77.824 94.790 25.466 1.00 0.00 WT4 H ATOM 47874 H2 TIP3 150 76.340 94.707 25.751 1.00 0.00 WT4 H ATOM 47875 OH2 TIP3 151 40.847 15.282 38.714 1.00 0.00 WT4 O ATOM 47876 H1 TIP3 151 41.410 15.862 39.227 1.00 0.00 WT4 H ATOM 47877 H2 TIP3 151 41.278 14.428 38.758 1.00 0.00 WT4 H ATOM 47878 OH2 TIP3 152 26.170 57.025 63.746 1.00 0.00 WT4 O ATOM 47879 H1 TIP3 152 25.779 57.352 62.936 1.00 0.00 WT4 H ATOM 47880 H2 TIP3 152 25.423 56.829 64.311 1.00 0.00 WT4 H ATOM 47881 OH2 TIP3 154 20.452 42.802 2.454 1.00 0.00 WT4 O ATOM 47882 H1 TIP3 154 20.677 41.907 2.709 1.00 0.00 WT4 H ATOM 47883 H2 TIP3 154 19.825 42.697 1.739 1.00 0.00 WT4 H ATOM 47884 OH2 TIP3 167 38.968 89.119 58.299 1.00 0.00 WT4 O ATOM 47885 H1 TIP3 167 38.935 88.358 58.878 1.00 0.00 WT4 H ATOM 47886 H2 TIP3 167 39.189 88.758 57.440 1.00 0.00 WT4 H ATOM 47887 OH2 TIP3 171 35.352 82.058 -14.404 1.00 0.00 WT4 O ATOM 47888 H1 TIP3 171 34.690 82.749 -14.411 1.00 0.00 WT4 H ATOM 47889 H2 TIP3 171 35.856 82.199 -15.206 1.00 0.00 WT4 H ATOM 47890 OH2 TIP3 192 75.554 34.480 63.871 1.00 0.00 WT4 O ATOM 47891 H1 TIP3 192 76.498 34.628 63.816 1.00 0.00 WT4 H ATOM 47892 H2 TIP3 192 75.181 35.353 63.992 1.00 0.00 WT4 H ATOM 47893 OH2 TIP3 193 60.750 34.928 -11.397 1.00 0.00 WT4 O ATOM 47894 H1 TIP3 193 60.907 35.781 -10.994 1.00 0.00 WT4 H ATOM 47895 H2 TIP3 193 60.942 34.296 -10.704 1.00 0.00 WT4 H ATOM 47896 OH2 TIP3 212 89.680 12.167 50.389 1.00 0.00 WT4 O ATOM 47897 H1 TIP3 212 90.264 11.853 49.699 1.00 0.00 WT4 H ATOM 47898 H2 TIP3 212 90.169 12.873 50.814 1.00 0.00 WT4 H ATOM 47899 OH2 TIP3 236 87.318 69.041 64.927 1.00 0.00 WT4 O ATOM 47900 H1 TIP3 236 86.915 69.787 64.483 1.00 0.00 WT4 H ATOM 47901 H2 TIP3 236 86.816 68.944 65.736 1.00 0.00 WT4 H ATOM 47902 OH2 TIP3 237 83.502 94.274 14.070 1.00 0.00 WT4 O ATOM 47903 H1 TIP3 237 82.892 94.162 13.340 1.00 0.00 WT4 H ATOM 47904 H2 TIP3 237 83.959 95.092 13.877 1.00 0.00 WT4 H ATOM 47905 OH2 TIP3 239 46.493 32.812 49.782 1.00 0.00 WT4 O ATOM 47906 H1 TIP3 239 46.480 33.037 50.712 1.00 0.00 WT4 H ATOM 47907 H2 TIP3 239 46.827 33.598 49.350 1.00 0.00 WT4 H ATOM 47908 OH2 TIP3 256 69.552 61.880 31.587 1.00 0.00 WT4 O ATOM 47909 H1 TIP3 256 68.691 62.110 31.236 1.00 0.00 WT4 H ATOM 47910 H2 TIP3 256 69.857 61.167 31.027 1.00 0.00 WT4 H ATOM 47911 OH2 TIP3 407 87.763 46.082 58.636 1.00 0.00 WT4 O ATOM 47912 H1 TIP3 407 87.389 46.554 57.892 1.00 0.00 WT4 H ATOM 47913 H2 TIP3 407 87.020 45.625 59.029 1.00 0.00 WT4 H ATOM 47914 OH2 TIP3 430 82.457 72.610 -2.063 1.00 0.00 WT4 O ATOM 47915 H1 TIP3 430 81.662 72.305 -2.500 1.00 0.00 WT4 H ATOM 47916 H2 TIP3 430 83.106 71.929 -2.240 1.00 0.00 WT4 H ATOM 47917 OH2 TIP3 443 77.724 70.656 -2.418 1.00 0.00 WT4 O ATOM 47918 H1 TIP3 443 77.756 69.702 -2.489 1.00 0.00 WT4 H ATOM 47919 H2 TIP3 443 77.730 70.827 -1.476 1.00 0.00 WT4 H ATOM 47920 OH2 TIP3 444 59.963 81.669 12.494 1.00 0.00 WT4 O ATOM 47921 H1 TIP3 444 59.573 80.953 12.994 1.00 0.00 WT4 H ATOM 47922 H2 TIP3 444 60.359 81.243 11.734 1.00 0.00 WT4 H ATOM 47923 OH2 TIP3 447 55.543 80.327 62.758 1.00 0.00 WT4 O ATOM 47924 H1 TIP3 447 55.603 80.568 63.683 1.00 0.00 WT4 H ATOM 47925 H2 TIP3 447 56.214 80.857 62.328 1.00 0.00 WT4 H ATOM 47926 OH2 TIP3 449 25.837 72.351 66.559 1.00 0.00 WT4 O ATOM 47927 H1 TIP3 449 25.026 72.761 66.861 1.00 0.00 WT4 H ATOM 47928 H2 TIP3 449 25.591 71.447 66.366 1.00 0.00 WT4 H ATOM 47929 OH2 TIP3 450 44.194 26.360 4.315 1.00 0.00 WT4 O ATOM 47930 H1 TIP3 450 44.562 27.031 3.741 1.00 0.00 WT4 H ATOM 47931 H2 TIP3 450 44.627 26.499 5.156 1.00 0.00 WT4 H ATOM 47932 OH2 TIP3 465 26.594 62.041 12.996 1.00 0.00 WT4 O ATOM 47933 H1 TIP3 465 26.029 61.388 13.410 1.00 0.00 WT4 H ATOM 47934 H2 TIP3 465 26.395 62.856 13.457 1.00 0.00 WT4 H ATOM 47935 OH2 TIP3 466 87.289 53.061 59.768 1.00 0.00 WT4 O ATOM 47936 H1 TIP3 466 88.005 52.831 60.361 1.00 0.00 WT4 H ATOM 47937 H2 TIP3 466 87.655 52.940 58.892 1.00 0.00 WT4 H ATOM 47938 OH2 TIP3 467 24.256 85.441 47.692 1.00 0.00 WT4 O ATOM 47939 H1 TIP3 467 24.784 86.075 47.207 1.00 0.00 WT4 H ATOM 47940 H2 TIP3 467 24.587 84.588 47.411 1.00 0.00 WT4 H ATOM 47941 OH2 TIP3 469 62.897 43.679 58.031 1.00 0.00 WT4 O ATOM 47942 H1 TIP3 469 62.332 44.380 57.705 1.00 0.00 WT4 H ATOM 47943 H2 TIP3 469 62.597 43.527 58.928 1.00 0.00 WT4 H ATOM 47944 OH2 TIP3 478 32.554 77.038 12.143 1.00 0.00 WT4 O ATOM 47945 H1 TIP3 478 33.073 76.695 12.870 1.00 0.00 WT4 H ATOM 47946 H2 TIP3 478 31.648 76.839 12.379 1.00 0.00 WT4 H ATOM 47947 OH2 TIP3 484 30.824 76.327 19.263 1.00 0.00 WT4 O ATOM 47948 H1 TIP3 484 30.628 75.851 18.456 1.00 0.00 WT4 H ATOM 47949 H2 TIP3 484 30.309 75.882 19.936 1.00 0.00 WT4 H ATOM 47950 OH2 TIP3 485 27.276 67.039 60.176 1.00 0.00 WT4 O ATOM 47951 H1 TIP3 485 27.173 67.924 59.826 1.00 0.00 WT4 H ATOM 47952 H2 TIP3 485 26.432 66.617 60.014 1.00 0.00 WT4 H ATOM 47953 OH2 TIP3 486 84.133 40.397 17.950 1.00 0.00 WT4 O ATOM 47954 H1 TIP3 486 83.438 40.302 18.602 1.00 0.00 WT4 H ATOM 47955 H2 TIP3 486 83.966 39.698 17.318 1.00 0.00 WT4 H ATOM 47956 OH2 TIP3 488 83.139 52.965 59.623 1.00 0.00 WT4 O ATOM 47957 H1 TIP3 488 83.035 53.110 60.564 1.00 0.00 WT4 H ATOM 47958 H2 TIP3 488 82.331 53.304 59.238 1.00 0.00 WT4 H ATOM 47959 OH2 TIP3 489 29.944 15.653 -12.330 1.00 0.00 WT4 O ATOM 47960 H1 TIP3 489 30.328 15.032 -12.949 1.00 0.00 WT4 H ATOM 47961 H2 TIP3 489 28.999 15.528 -12.420 1.00 0.00 WT4 H ATOM 47962 OH2 TIP3 492 48.664 22.781 54.542 1.00 0.00 WT4 O ATOM 47963 H1 TIP3 492 48.404 22.089 53.934 1.00 0.00 WT4 H ATOM 47964 H2 TIP3 492 48.830 22.325 55.367 1.00 0.00 WT4 H ATOM 47965 OH2 TIP3 503 23.695 62.774 41.610 1.00 0.00 WT4 O ATOM 47966 H1 TIP3 503 24.079 62.779 40.733 1.00 0.00 WT4 H ATOM 47967 H2 TIP3 503 24.171 63.455 42.084 1.00 0.00 WT4 H ATOM 47968 OH2 TIP3 506 69.256 95.393 63.666 1.00 0.00 WT4 O ATOM 47969 H1 TIP3 506 68.426 95.852 63.794 1.00 0.00 WT4 H ATOM 47970 H2 TIP3 506 69.795 96.007 63.167 1.00 0.00 WT4 H ATOM 47971 OH2 TIP3 507 23.294 74.049 -5.333 1.00 0.00 WT4 O ATOM 47972 H1 TIP3 507 22.969 74.667 -5.988 1.00 0.00 WT4 H ATOM 47973 H2 TIP3 507 24.160 74.382 -5.099 1.00 0.00 WT4 H ATOM 47974 OH2 TIP3 508 44.394 -0.072 30.732 1.00 0.00 WT4 O ATOM 47975 H1 TIP3 508 44.991 0.439 30.185 1.00 0.00 WT4 H ATOM 47976 H2 TIP3 508 44.969 -0.571 31.312 1.00 0.00 WT4 H ATOM 47977 OH2 TIP3 509 31.707 83.943 -9.432 1.00 0.00 WT4 O ATOM 47978 H1 TIP3 509 31.043 84.489 -9.012 1.00 0.00 WT4 H ATOM 47979 H2 TIP3 509 31.446 83.913 -10.352 1.00 0.00 WT4 H ATOM 47980 OH2 TIP3 511 85.663 76.734 14.783 1.00 0.00 WT4 O ATOM 47981 H1 TIP3 511 86.282 76.733 15.513 1.00 0.00 WT4 H ATOM 47982 H2 TIP3 511 85.438 75.813 14.657 1.00 0.00 WT4 H ATOM 47983 OH2 TIP3 512 70.803 59.577 53.195 1.00 0.00 WT4 O ATOM 47984 H1 TIP3 512 71.071 59.169 52.372 1.00 0.00 WT4 H ATOM 47985 H2 TIP3 512 69.899 59.852 53.044 1.00 0.00 WT4 H ATOM 47986 OH2 TIP3 513 37.801 8.247 58.059 1.00 0.00 WT4 O ATOM 47987 H1 TIP3 513 38.182 8.091 58.923 1.00 0.00 WT4 H ATOM 47988 H2 TIP3 513 37.706 7.374 57.677 1.00 0.00 WT4 H ATOM 47989 OH2 TIP3 517 65.220 75.245 -12.409 1.00 0.00 WT4 O ATOM 47990 H1 TIP3 517 64.549 74.572 -12.523 1.00 0.00 WT4 H ATOM 47991 H2 TIP3 517 65.781 75.158 -13.180 1.00 0.00 WT4 H ATOM 47992 OH2 TIP3 528 49.216 66.049 -17.135 1.00 0.00 WT4 O ATOM 47993 H1 TIP3 528 49.383 66.098 -16.193 1.00 0.00 WT4 H ATOM 47994 H2 TIP3 528 50.078 65.900 -17.524 1.00 0.00 WT4 H ATOM 47995 OH2 TIP3 529 21.369 72.988 -3.395 1.00 0.00 WT4 O ATOM 47996 H1 TIP3 529 21.283 72.113 -3.774 1.00 0.00 WT4 H ATOM 47997 H2 TIP3 529 22.061 73.405 -3.907 1.00 0.00 WT4 H ATOM 47998 OH2 TIP3 530 44.380 89.432 -1.051 1.00 0.00 WT4 O ATOM 47999 H1 TIP3 530 45.189 89.490 -0.542 1.00 0.00 WT4 H ATOM 48000 H2 TIP3 530 43.700 89.753 -0.458 1.00 0.00 WT4 H ATOM 48001 OH2 TIP3 532 29.061 0.546 49.981 1.00 0.00 WT4 O ATOM 48002 H1 TIP3 532 29.894 0.692 50.429 1.00 0.00 WT4 H ATOM 48003 H2 TIP3 532 29.207 -0.241 49.455 1.00 0.00 WT4 H ATOM 48004 OH2 TIP3 533 46.443 63.142 -4.764 1.00 0.00 WT4 O ATOM 48005 H1 TIP3 533 46.728 63.227 -3.854 1.00 0.00 WT4 H ATOM 48006 H2 TIP3 533 45.493 63.032 -4.709 1.00 0.00 WT4 H ATOM 48007 OH2 TIP3 535 34.862 83.265 37.579 1.00 0.00 WT4 O ATOM 48008 H1 TIP3 535 35.656 83.657 37.216 1.00 0.00 WT4 H ATOM 48009 H2 TIP3 535 35.114 82.366 37.792 1.00 0.00 WT4 H ATOM 48010 OH2 TIP3 543 30.793 42.878 -2.417 1.00 0.00 WT4 O ATOM 48011 H1 TIP3 543 31.115 43.402 -1.684 1.00 0.00 WT4 H ATOM 48012 H2 TIP3 543 29.940 43.259 -2.628 1.00 0.00 WT4 H ATOM 48013 OH2 TIP3 547 42.985 85.502 5.170 1.00 0.00 WT4 O ATOM 48014 H1 TIP3 547 42.927 85.454 4.216 1.00 0.00 WT4 H ATOM 48015 H2 TIP3 547 43.919 85.611 5.348 1.00 0.00 WT4 H ATOM 48016 OH2 TIP3 549 84.103 79.134 58.664 1.00 0.00 WT4 O ATOM 48017 H1 TIP3 549 84.491 79.698 57.995 1.00 0.00 WT4 H ATOM 48018 H2 TIP3 549 84.793 79.028 59.319 1.00 0.00 WT4 H ATOM 48019 OH2 TIP3 550 70.904 17.785 61.934 1.00 0.00 WT4 O ATOM 48020 H1 TIP3 550 71.714 18.290 62.012 1.00 0.00 WT4 H ATOM 48021 H2 TIP3 550 71.184 16.932 61.602 1.00 0.00 WT4 H ATOM 48022 OH2 TIP3 551 87.943 13.449 -18.581 1.00 0.00 WT4 O ATOM 48023 H1 TIP3 551 87.616 13.149 -19.429 1.00 0.00 WT4 H ATOM 48024 H2 TIP3 551 88.797 13.027 -18.490 1.00 0.00 WT4 H ATOM 48025 OH2 TIP3 554 44.068 76.369 10.140 1.00 0.00 WT4 O ATOM 48026 H1 TIP3 554 43.996 75.550 10.630 1.00 0.00 WT4 H ATOM 48027 H2 TIP3 554 43.407 76.296 9.452 1.00 0.00 WT4 H ATOM 48028 OH2 TIP3 558 39.367 13.386 15.997 1.00 0.00 WT4 O ATOM 48029 H1 TIP3 558 39.745 13.302 15.122 1.00 0.00 WT4 H ATOM 48030 H2 TIP3 558 39.594 14.274 16.273 1.00 0.00 WT4 H ATOM 48031 OH2 TIP3 562 70.301 21.956 43.572 1.00 0.00 WT4 O ATOM 48032 H1 TIP3 562 70.357 22.078 44.520 1.00 0.00 WT4 H ATOM 48033 H2 TIP3 562 71.185 21.701 43.310 1.00 0.00 WT4 H ATOM 48034 OH2 TIP3 568 64.749 61.256 -0.910 1.00 0.00 WT4 O ATOM 48035 H1 TIP3 568 64.612 60.513 -0.322 1.00 0.00 WT4 H ATOM 48036 H2 TIP3 568 63.995 61.238 -1.499 1.00 0.00 WT4 H ATOM 48037 OH2 TIP3 572 76.351 71.379 -14.733 1.00 0.00 WT4 O ATOM 48038 H1 TIP3 572 75.642 70.863 -14.350 1.00 0.00 WT4 H ATOM 48039 H2 TIP3 572 77.135 70.847 -14.600 1.00 0.00 WT4 H ATOM 48040 OH2 TIP3 573 24.073 7.651 55.427 1.00 0.00 WT4 O ATOM 48041 H1 TIP3 573 25.021 7.743 55.516 1.00 0.00 WT4 H ATOM 48042 H2 TIP3 573 23.941 7.393 54.515 1.00 0.00 WT4 H ATOM 48043 OH2 TIP3 574 74.015 81.338 45.721 1.00 0.00 WT4 O ATOM 48044 H1 TIP3 574 74.550 82.122 45.601 1.00 0.00 WT4 H ATOM 48045 H2 TIP3 574 73.124 81.669 45.832 1.00 0.00 WT4 H ATOM 48046 OH2 TIP3 575 24.759 48.986 51.077 1.00 0.00 WT4 O ATOM 48047 H1 TIP3 575 24.296 49.042 50.241 1.00 0.00 WT4 H ATOM 48048 H2 TIP3 575 25.503 49.580 50.980 1.00 0.00 WT4 H ATOM 48049 OH2 TIP3 584 78.778 84.680 -13.111 1.00 0.00 WT4 O ATOM 48050 H1 TIP3 584 78.096 84.517 -12.458 1.00 0.00 WT4 H ATOM 48051 H2 TIP3 584 78.416 85.369 -13.668 1.00 0.00 WT4 H ATOM 48052 OH2 TIP3 591 30.608 48.053 52.649 1.00 0.00 WT4 O ATOM 48053 H1 TIP3 591 31.239 48.450 52.049 1.00 0.00 WT4 H ATOM 48054 H2 TIP3 591 30.451 47.180 52.290 1.00 0.00 WT4 H ATOM 48055 OH2 TIP3 592 82.023 39.040 14.928 1.00 0.00 WT4 O ATOM 48056 H1 TIP3 592 81.329 39.036 15.587 1.00 0.00 WT4 H ATOM 48057 H2 TIP3 592 82.288 39.958 14.863 1.00 0.00 WT4 H ATOM 48058 OH2 TIP3 593 60.988 77.330 51.008 1.00 0.00 WT4 O ATOM 48059 H1 TIP3 593 60.808 78.176 50.599 1.00 0.00 WT4 H ATOM 48060 H2 TIP3 593 60.736 76.685 50.347 1.00 0.00 WT4 H ATOM 48061 OH2 TIP3 594 50.233 65.580 7.946 1.00 0.00 WT4 O ATOM 48062 H1 TIP3 594 51.113 65.370 7.634 1.00 0.00 WT4 H ATOM 48063 H2 TIP3 594 50.367 65.911 8.835 1.00 0.00 WT4 H ATOM 48064 OH2 TIP3 595 84.559 14.826 66.931 1.00 0.00 WT4 O ATOM 48065 H1 TIP3 595 85.483 14.575 66.911 1.00 0.00 WT4 H ATOM 48066 H2 TIP3 595 84.105 14.042 67.240 1.00 0.00 WT4 H ATOM 48067 OH2 TIP3 612 71.173 5.984 41.652 1.00 0.00 WT4 O ATOM 48068 H1 TIP3 612 70.269 5.673 41.705 1.00 0.00 WT4 H ATOM 48069 H2 TIP3 612 71.548 5.781 42.509 1.00 0.00 WT4 H ATOM 48070 OH2 TIP3 613 58.818 84.510 48.849 1.00 0.00 WT4 O ATOM 48071 H1 TIP3 613 58.321 85.316 48.706 1.00 0.00 WT4 H ATOM 48072 H2 TIP3 613 59.039 84.206 47.969 1.00 0.00 WT4 H ATOM 48073 OH2 TIP3 617 82.565 93.260 44.557 1.00 0.00 WT4 O ATOM 48074 H1 TIP3 617 82.772 93.667 43.715 1.00 0.00 WT4 H ATOM 48075 H2 TIP3 617 82.191 93.968 45.080 1.00 0.00 WT4 H ATOM 48076 OH2 TIP3 632 59.388 49.565 3.441 1.00 0.00 WT4 O ATOM 48077 H1 TIP3 632 59.746 48.916 2.835 1.00 0.00 WT4 H ATOM 48078 H2 TIP3 632 60.141 50.100 3.691 1.00 0.00 WT4 H ATOM 48079 OH2 TIP3 634 40.150 81.540 62.897 1.00 0.00 WT4 O ATOM 48080 H1 TIP3 634 40.497 81.660 63.781 1.00 0.00 WT4 H ATOM 48081 H2 TIP3 634 39.615 80.748 62.954 1.00 0.00 WT4 H ATOM 48082 OH2 TIP3 635 79.276 41.296 29.772 1.00 0.00 WT4 O ATOM 48083 H1 TIP3 635 78.509 40.761 29.977 1.00 0.00 WT4 H ATOM 48084 H2 TIP3 635 79.305 41.319 28.816 1.00 0.00 WT4 H ATOM 48085 OH2 TIP3 638 34.715 39.311 24.972 1.00 0.00 WT4 O ATOM 48086 H1 TIP3 638 35.105 38.447 24.839 1.00 0.00 WT4 H ATOM 48087 H2 TIP3 638 35.117 39.862 24.301 1.00 0.00 WT4 H ATOM 48088 OH2 TIP3 640 43.914 13.849 56.371 1.00 0.00 WT4 O ATOM 48089 H1 TIP3 640 44.500 13.846 55.614 1.00 0.00 WT4 H ATOM 48090 H2 TIP3 640 43.976 14.738 56.719 1.00 0.00 WT4 H ATOM 48091 OH2 TIP3 656 71.013 91.377 33.204 1.00 0.00 WT4 O ATOM 48092 H1 TIP3 656 70.372 91.214 33.896 1.00 0.00 WT4 H ATOM 48093 H2 TIP3 656 70.900 90.646 32.596 1.00 0.00 WT4 H ATOM 48094 OH2 TIP3 659 87.607 67.778 4.534 1.00 0.00 WT4 O ATOM 48095 H1 TIP3 659 87.590 67.600 5.474 1.00 0.00 WT4 H ATOM 48096 H2 TIP3 659 86.991 68.500 4.415 1.00 0.00 WT4 H ATOM 48097 OH2 TIP3 660 31.766 18.448 -7.971 1.00 0.00 WT4 O ATOM 48098 H1 TIP3 660 32.684 18.381 -7.710 1.00 0.00 WT4 H ATOM 48099 H2 TIP3 660 31.285 17.999 -7.276 1.00 0.00 WT4 H ATOM 48100 OH2 TIP3 682 29.789 54.634 -7.735 1.00 0.00 WT4 O ATOM 48101 H1 TIP3 682 30.576 54.285 -7.315 1.00 0.00 WT4 H ATOM 48102 H2 TIP3 682 29.445 55.271 -7.109 1.00 0.00 WT4 H ATOM 48103 OH2 TIP3 695 84.330 79.501 25.959 1.00 0.00 WT4 O ATOM 48104 H1 TIP3 695 84.153 78.832 25.297 1.00 0.00 WT4 H ATOM 48105 H2 TIP3 695 83.805 79.235 26.714 1.00 0.00 WT4 H ATOM 48106 OH2 TIP3 697 66.523 50.172 8.900 1.00 0.00 WT4 O ATOM 48107 H1 TIP3 697 66.237 50.032 9.802 1.00 0.00 WT4 H ATOM 48108 H2 TIP3 697 65.712 50.309 8.410 1.00 0.00 WT4 H ATOM 48109 OH2 TIP3 758 89.294 57.880 0.534 1.00 0.00 WT4 O ATOM 48110 H1 TIP3 758 89.986 57.238 0.692 1.00 0.00 WT4 H ATOM 48111 H2 TIP3 758 89.741 58.726 0.559 1.00 0.00 WT4 H ATOM 48112 OH2 TIP3 805 63.517 19.748 64.261 1.00 0.00 WT4 O ATOM 48113 H1 TIP3 805 62.627 19.441 64.087 1.00 0.00 WT4 H ATOM 48114 H2 TIP3 805 64.082 19.063 63.904 1.00 0.00 WT4 H ATOM 48115 OH2 TIP3 822 82.015 46.136 38.298 1.00 0.00 WT4 O ATOM 48116 H1 TIP3 822 81.540 46.466 39.061 1.00 0.00 WT4 H ATOM 48117 H2 TIP3 822 81.769 45.213 38.243 1.00 0.00 WT4 H ATOM 48118 OH2 TIP3 848 43.015 54.290 -0.805 1.00 0.00 WT4 O ATOM 48119 H1 TIP3 848 42.563 54.901 -0.224 1.00 0.00 WT4 H ATOM 48120 H2 TIP3 848 43.824 54.072 -0.342 1.00 0.00 WT4 H ATOM 48121 OH2 TIP3 849 35.554 46.499 7.446 1.00 0.00 WT4 O ATOM 48122 H1 TIP3 849 35.904 46.589 8.332 1.00 0.00 WT4 H ATOM 48123 H2 TIP3 849 35.532 45.555 7.291 1.00 0.00 WT4 H ATOM 48124 OH2 TIP3 866 44.631 54.345 59.171 1.00 0.00 WT4 O ATOM 48125 H1 TIP3 866 44.344 54.718 60.004 1.00 0.00 WT4 H ATOM 48126 H2 TIP3 866 45.279 54.967 58.840 1.00 0.00 WT4 H ATOM 48127 OH2 TIP3 867 23.393 63.586 1.153 1.00 0.00 WT4 O ATOM 48128 H1 TIP3 867 23.916 63.814 1.922 1.00 0.00 WT4 H ATOM 48129 H2 TIP3 867 23.232 64.422 0.716 1.00 0.00 WT4 H ATOM 48130 OH2 TIP3 887 56.974 23.035 43.382 1.00 0.00 WT4 O ATOM 48131 H1 TIP3 887 57.028 23.989 43.431 1.00 0.00 WT4 H ATOM 48132 H2 TIP3 887 57.493 22.805 42.611 1.00 0.00 WT4 H ATOM 48133 OH2 TIP3 888 57.391 25.903 2.887 1.00 0.00 WT4 O ATOM 48134 H1 TIP3 888 58.030 26.359 3.434 1.00 0.00 WT4 H ATOM 48135 H2 TIP3 888 57.239 26.496 2.151 1.00 0.00 WT4 H ATOM 48136 OH2 TIP3 891 38.949 41.004 43.579 1.00 0.00 WT4 O ATOM 48137 H1 TIP3 891 38.237 40.388 43.407 1.00 0.00 WT4 H ATOM 48138 H2 TIP3 891 38.523 41.861 43.605 1.00 0.00 WT4 H ATOM 48139 OH2 TIP3 906 23.971 24.051 -13.566 1.00 0.00 WT4 O ATOM 48140 H1 TIP3 906 24.482 24.636 -13.007 1.00 0.00 WT4 H ATOM 48141 H2 TIP3 906 24.114 24.380 -14.453 1.00 0.00 WT4 H ATOM 48142 OH2 TIP3 908 89.521 48.108 38.483 1.00 0.00 WT4 O ATOM 48143 H1 TIP3 908 88.687 48.514 38.717 1.00 0.00 WT4 H ATOM 48144 H2 TIP3 908 89.277 47.316 38.004 1.00 0.00 WT4 H ATOM 48145 OH2 TIP3 912 59.664 52.972 55.471 1.00 0.00 WT4 O ATOM 48146 H1 TIP3 912 58.768 52.856 55.155 1.00 0.00 WT4 H ATOM 48147 H2 TIP3 912 59.843 53.904 55.351 1.00 0.00 WT4 H ATOM 48148 OH2 TIP3 924 45.645 40.611 0.499 1.00 0.00 WT4 O ATOM 48149 H1 TIP3 924 44.994 41.308 0.420 1.00 0.00 WT4 H ATOM 48150 H2 TIP3 924 46.371 41.013 0.976 1.00 0.00 WT4 H ATOM 48151 OH2 TIP3 927 67.419 35.706 39.592 1.00 0.00 WT4 O ATOM 48152 H1 TIP3 927 66.648 36.081 40.017 1.00 0.00 WT4 H ATOM 48153 H2 TIP3 927 67.940 35.351 40.312 1.00 0.00 WT4 H ATOM 48154 OH2 TIP3 928 54.365 39.985 -7.150 1.00 0.00 WT4 O ATOM 48155 H1 TIP3 928 54.381 40.790 -6.633 1.00 0.00 WT4 H ATOM 48156 H2 TIP3 928 53.532 40.018 -7.620 1.00 0.00 WT4 H ATOM 48157 OH2 TIP3 929 38.924 31.366 23.928 1.00 0.00 WT4 O ATOM 48158 H1 TIP3 929 39.800 31.556 24.263 1.00 0.00 WT4 H ATOM 48159 H2 TIP3 929 38.569 32.221 23.684 1.00 0.00 WT4 H ATOM 48160 OH2 TIP3 930 48.288 12.413 19.809 1.00 0.00 WT4 O ATOM 48161 H1 TIP3 930 48.110 13.211 19.311 1.00 0.00 WT4 H ATOM 48162 H2 TIP3 930 48.328 12.704 20.720 1.00 0.00 WT4 H ATOM 48163 OH2 TIP3 932 83.577 77.293 47.674 1.00 0.00 WT4 O ATOM 48164 H1 TIP3 932 83.150 77.893 48.286 1.00 0.00 WT4 H ATOM 48165 H2 TIP3 932 84.229 76.834 48.203 1.00 0.00 WT4 H ATOM 48166 OH2 TIP3 942 51.715 45.241 59.392 1.00 0.00 WT4 O ATOM 48167 H1 TIP3 942 50.839 45.619 59.321 1.00 0.00 WT4 H ATOM 48168 H2 TIP3 942 52.250 45.943 59.763 1.00 0.00 WT4 H ATOM 48169 OH2 TIP3 947 51.598 76.492 -17.020 1.00 0.00 WT4 O ATOM 48170 H1 TIP3 947 50.707 76.450 -17.366 1.00 0.00 WT4 H ATOM 48171 H2 TIP3 947 51.526 76.153 -16.128 1.00 0.00 WT4 H ATOM 48172 OH2 TIP3 948 23.403 72.805 52.787 1.00 0.00 WT4 O ATOM 48173 H1 TIP3 948 24.288 72.749 52.426 1.00 0.00 WT4 H ATOM 48174 H2 TIP3 948 23.363 72.100 53.433 1.00 0.00 WT4 H ATOM 48175 OH2 TIP3 950 74.033 73.764 60.609 1.00 0.00 WT4 O ATOM 48176 H1 TIP3 950 74.390 72.899 60.406 1.00 0.00 WT4 H ATOM 48177 H2 TIP3 950 73.088 73.627 60.663 1.00 0.00 WT4 H ATOM 48178 OH2 TIP3 951 66.676 75.003 31.614 1.00 0.00 WT4 O ATOM 48179 H1 TIP3 951 65.873 75.209 31.135 1.00 0.00 WT4 H ATOM 48180 H2 TIP3 951 66.916 74.126 31.314 1.00 0.00 WT4 H ATOM 48181 OH2 TIP3 952 44.725 72.821 25.749 1.00 0.00 WT4 O ATOM 48182 H1 TIP3 952 44.200 73.071 24.989 1.00 0.00 WT4 H ATOM 48183 H2 TIP3 952 45.567 73.257 25.612 1.00 0.00 WT4 H ATOM 48184 OH2 TIP3 953 50.881 53.753 60.502 1.00 0.00 WT4 O ATOM 48185 H1 TIP3 953 50.348 53.765 59.707 1.00 0.00 WT4 H ATOM 48186 H2 TIP3 953 50.321 53.342 61.161 1.00 0.00 WT4 H ATOM 48187 OH2 TIP3 956 67.351 7.951 64.355 1.00 0.00 WT4 O ATOM 48188 H1 TIP3 956 67.613 7.404 65.096 1.00 0.00 WT4 H ATOM 48189 H2 TIP3 956 68.159 8.088 63.860 1.00 0.00 WT4 H ATOM 48190 OH2 TIP3 964 25.017 16.144 10.978 1.00 0.00 WT4 O ATOM 48191 H1 TIP3 964 25.446 15.770 10.208 1.00 0.00 WT4 H ATOM 48192 H2 TIP3 964 24.755 17.023 10.703 1.00 0.00 WT4 H ATOM 48193 OH2 TIP3 970 35.332 75.622 2.280 1.00 0.00 WT4 O ATOM 48194 H1 TIP3 970 34.887 75.946 3.063 1.00 0.00 WT4 H ATOM 48195 H2 TIP3 970 36.188 75.331 2.593 1.00 0.00 WT4 H ATOM 48196 OH2 TIP3 972 27.877 72.973 -19.241 1.00 0.00 WT4 O ATOM 48197 H1 TIP3 972 27.107 72.956 -19.810 1.00 0.00 WT4 H ATOM 48198 H2 TIP3 972 27.743 72.244 -18.635 1.00 0.00 WT4 H ATOM 48199 OH2 TIP3 974 35.482 39.169 39.599 1.00 0.00 WT4 O ATOM 48200 H1 TIP3 974 34.788 38.649 39.194 1.00 0.00 WT4 H ATOM 48201 H2 TIP3 974 35.048 39.977 39.873 1.00 0.00 WT4 H ATOM 48202 OH2 TIP3 985 30.532 93.125 27.090 1.00 0.00 WT4 O ATOM 48203 H1 TIP3 985 31.271 92.536 27.241 1.00 0.00 WT4 H ATOM 48204 H2 TIP3 985 30.643 93.819 27.740 1.00 0.00 WT4 H ATOM 48205 OH2 TIP3 987 27.193 63.538 53.930 1.00 0.00 WT4 O ATOM 48206 H1 TIP3 987 27.740 63.347 53.168 1.00 0.00 WT4 H ATOM 48207 H2 TIP3 987 27.816 63.763 54.622 1.00 0.00 WT4 H ATOM 48208 OH2 TIP3 988 54.879 85.127 4.164 1.00 0.00 WT4 O ATOM 48209 H1 TIP3 988 54.901 84.530 4.912 1.00 0.00 WT4 H ATOM 48210 H2 TIP3 988 54.023 85.551 4.221 1.00 0.00 WT4 H ATOM 48211 OH2 TIP3 992 84.130 67.490 23.855 1.00 0.00 WT4 O ATOM 48212 H1 TIP3 992 83.748 68.288 24.222 1.00 0.00 WT4 H ATOM 48213 H2 TIP3 992 83.465 66.818 24.002 1.00 0.00 WT4 H ATOM 48214 OH2 TIP3 993 87.385 53.695 -19.740 1.00 0.00 WT4 O ATOM 48215 H1 TIP3 993 86.805 53.077 -19.294 1.00 0.00 WT4 H ATOM 48216 H2 TIP3 993 88.025 53.142 -20.188 1.00 0.00 WT4 H ATOM 48217 OH2 TIP3 995 87.191 66.215 -1.358 1.00 0.00 WT4 O ATOM 48218 H1 TIP3 995 86.306 66.056 -1.029 1.00 0.00 WT4 H ATOM 48219 H2 TIP3 995 87.431 65.403 -1.804 1.00 0.00 WT4 H ATOM 48220 OH2 TIP3 1007 41.116 87.978 21.507 1.00 0.00 WT4 O ATOM 48221 H1 TIP3 1007 41.217 87.898 22.455 1.00 0.00 WT4 H ATOM 48222 H2 TIP3 1007 40.875 88.894 21.367 1.00 0.00 WT4 H ATOM 48223 OH2 TIP3 1010 88.773 7.167 3.173 1.00 0.00 WT4 O ATOM 48224 H1 TIP3 1010 89.332 7.585 3.828 1.00 0.00 WT4 H ATOM 48225 H2 TIP3 1010 89.075 7.522 2.337 1.00 0.00 WT4 H ATOM 48226 OH2 TIP3 1011 66.691 20.495 40.541 1.00 0.00 WT4 O ATOM 48227 H1 TIP3 1011 67.339 20.415 41.241 1.00 0.00 WT4 H ATOM 48228 H2 TIP3 1011 66.739 19.661 40.073 1.00 0.00 WT4 H ATOM 48229 OH2 TIP3 1013 51.959 7.725 -14.845 1.00 0.00 WT4 O ATOM 48230 H1 TIP3 1013 51.508 7.707 -14.001 1.00 0.00 WT4 H ATOM 48231 H2 TIP3 1013 52.765 8.213 -14.675 1.00 0.00 WT4 H ATOM 48232 OH2 TIP3 1014 40.588 50.434 0.086 1.00 0.00 WT4 O ATOM 48233 H1 TIP3 1014 40.256 51.117 0.669 1.00 0.00 WT4 H ATOM 48234 H2 TIP3 1014 40.385 49.614 0.537 1.00 0.00 WT4 H ATOM 48235 OH2 TIP3 1017 85.658 33.267 45.120 1.00 0.00 WT4 O ATOM 48236 H1 TIP3 1017 86.339 32.643 44.870 1.00 0.00 WT4 H ATOM 48237 H2 TIP3 1017 86.114 33.916 45.657 1.00 0.00 WT4 H ATOM 48238 OH2 TIP3 1018 29.296 81.315 3.946 1.00 0.00 WT4 O ATOM 48239 H1 TIP3 1018 29.567 80.866 4.747 1.00 0.00 WT4 H ATOM 48240 H2 TIP3 1018 30.052 81.244 3.364 1.00 0.00 WT4 H ATOM 48241 OH2 TIP3 1027 72.598 66.915 25.585 1.00 0.00 WT4 O ATOM 48242 H1 TIP3 1027 71.879 66.851 26.214 1.00 0.00 WT4 H ATOM 48243 H2 TIP3 1027 72.233 66.573 24.769 1.00 0.00 WT4 H ATOM 48244 OH2 TIP3 1032 31.762 52.503 -14.403 1.00 0.00 WT4 O ATOM 48245 H1 TIP3 1032 32.116 52.130 -15.211 1.00 0.00 WT4 H ATOM 48246 H2 TIP3 1032 30.817 52.541 -14.551 1.00 0.00 WT4 H ATOM 48247 OH2 TIP3 1033 56.755 91.588 58.468 1.00 0.00 WT4 O ATOM 48248 H1 TIP3 1033 57.233 90.828 58.800 1.00 0.00 WT4 H ATOM 48249 H2 TIP3 1033 55.894 91.245 58.230 1.00 0.00 WT4 H ATOM 48250 OH2 TIP3 1040 58.314 0.651 51.480 1.00 0.00 WT4 O ATOM 48251 H1 TIP3 1040 58.207 0.765 52.424 1.00 0.00 WT4 H ATOM 48252 H2 TIP3 1040 58.783 1.436 51.195 1.00 0.00 WT4 H ATOM 48253 OH2 TIP3 1051 87.608 6.193 42.031 1.00 0.00 WT4 O ATOM 48254 H1 TIP3 1051 87.567 5.374 41.538 1.00 0.00 WT4 H ATOM 48255 H2 TIP3 1051 88.517 6.251 42.326 1.00 0.00 WT4 H ATOM 48256 OH2 TIP3 1053 27.538 76.895 59.859 1.00 0.00 WT4 O ATOM 48257 H1 TIP3 1053 27.821 77.019 60.765 1.00 0.00 WT4 H ATOM 48258 H2 TIP3 1053 27.150 77.735 59.612 1.00 0.00 WT4 H ATOM 48259 OH2 TIP3 1054 66.830 26.671 67.153 1.00 0.00 WT4 O ATOM 48260 H1 TIP3 1054 66.392 27.059 67.910 1.00 0.00 WT4 H ATOM 48261 H2 TIP3 1054 67.350 27.385 66.784 1.00 0.00 WT4 H ATOM 48262 OH2 TIP3 1055 60.307 74.992 18.192 1.00 0.00 WT4 O ATOM 48263 H1 TIP3 1055 59.977 74.154 17.866 1.00 0.00 WT4 H ATOM 48264 H2 TIP3 1055 60.104 74.982 19.128 1.00 0.00 WT4 H ATOM 48265 OH2 TIP3 1058 59.818 85.331 62.946 1.00 0.00 WT4 O ATOM 48266 H1 TIP3 1058 59.849 84.577 62.357 1.00 0.00 WT4 H ATOM 48267 H2 TIP3 1058 59.594 84.960 63.799 1.00 0.00 WT4 H ATOM 48268 OH2 TIP3 1059 70.080 41.576 39.457 1.00 0.00 WT4 O ATOM 48269 H1 TIP3 1059 70.257 41.591 38.517 1.00 0.00 WT4 H ATOM 48270 H2 TIP3 1059 69.838 42.477 39.671 1.00 0.00 WT4 H ATOM 48271 OH2 TIP3 1076 87.702 93.627 20.155 1.00 0.00 WT4 O ATOM 48272 H1 TIP3 1076 87.843 93.757 19.217 1.00 0.00 WT4 H ATOM 48273 H2 TIP3 1076 87.781 94.503 20.533 1.00 0.00 WT4 H ATOM 48274 OH2 TIP3 1094 87.862 9.231 43.282 1.00 0.00 WT4 O ATOM 48275 H1 TIP3 1094 88.199 8.375 43.546 1.00 0.00 WT4 H ATOM 48276 H2 TIP3 1094 87.427 9.569 44.065 1.00 0.00 WT4 H ATOM 48277 OH2 TIP3 1096 75.969 38.481 11.918 1.00 0.00 WT4 O ATOM 48278 H1 TIP3 1096 75.727 39.138 11.265 1.00 0.00 WT4 H ATOM 48279 H2 TIP3 1096 75.134 38.139 12.236 1.00 0.00 WT4 H ATOM 48280 OH2 TIP3 1098 83.583 89.027 -4.189 1.00 0.00 WT4 O ATOM 48281 H1 TIP3 1098 83.286 89.378 -5.028 1.00 0.00 WT4 H ATOM 48282 H2 TIP3 1098 84.524 89.203 -4.176 1.00 0.00 WT4 H ATOM 48283 OH2 TIP3 1112 61.915 36.083 22.974 1.00 0.00 WT4 O ATOM 48284 H1 TIP3 1112 61.366 35.389 23.340 1.00 0.00 WT4 H ATOM 48285 H2 TIP3 1112 61.314 36.814 22.831 1.00 0.00 WT4 H ATOM 48286 OH2 TIP3 1115 45.049 71.847 33.190 1.00 0.00 WT4 O ATOM 48287 H1 TIP3 1115 45.157 71.137 33.822 1.00 0.00 WT4 H ATOM 48288 H2 TIP3 1115 45.942 72.077 32.931 1.00 0.00 WT4 H ATOM 48289 OH2 TIP3 1117 69.871 72.323 42.658 1.00 0.00 WT4 O ATOM 48290 H1 TIP3 1117 68.921 72.202 42.630 1.00 0.00 WT4 H ATOM 48291 H2 TIP3 1117 70.215 71.465 42.906 1.00 0.00 WT4 H ATOM 48292 OH2 TIP3 1119 49.086 94.521 -1.149 1.00 0.00 WT4 O ATOM 48293 H1 TIP3 1119 48.288 94.431 -0.628 1.00 0.00 WT4 H ATOM 48294 H2 TIP3 1119 49.501 93.660 -1.102 1.00 0.00 WT4 H ATOM 48295 OH2 TIP3 1122 29.255 62.592 45.194 1.00 0.00 WT4 O ATOM 48296 H1 TIP3 1122 29.724 63.268 44.705 1.00 0.00 WT4 H ATOM 48297 H2 TIP3 1122 29.373 62.835 46.112 1.00 0.00 WT4 H ATOM 48298 OH2 TIP3 1137 36.365 92.793 52.464 1.00 0.00 WT4 O ATOM 48299 H1 TIP3 1137 36.824 93.612 52.653 1.00 0.00 WT4 H ATOM 48300 H2 TIP3 1137 37.017 92.110 52.622 1.00 0.00 WT4 H ATOM 48301 OH2 TIP3 1201 36.162 75.918 44.200 1.00 0.00 WT4 O ATOM 48302 H1 TIP3 1201 36.933 75.403 44.435 1.00 0.00 WT4 H ATOM 48303 H2 TIP3 1201 36.367 76.279 43.338 1.00 0.00 WT4 H ATOM 48304 OH2 TIP3 1301 29.659 22.111 52.339 1.00 0.00 WT4 O ATOM 48305 H1 TIP3 1301 30.146 21.849 53.121 1.00 0.00 WT4 H ATOM 48306 H2 TIP3 1301 29.747 21.368 51.742 1.00 0.00 WT4 H ATOM 48307 OH2 TIP3 1305 89.375 60.856 40.242 1.00 0.00 WT4 O ATOM 48308 H1 TIP3 1305 89.073 60.930 39.337 1.00 0.00 WT4 H ATOM 48309 H2 TIP3 1305 89.641 61.745 40.479 1.00 0.00 WT4 H ATOM 48310 OH2 TIP3 1307 49.775 88.890 0.368 1.00 0.00 WT4 O ATOM 48311 H1 TIP3 1307 50.279 88.725 1.164 1.00 0.00 WT4 H ATOM 48312 H2 TIP3 1307 50.269 89.570 -0.092 1.00 0.00 WT4 H ATOM 48313 OH2 TIP3 1308 29.001 78.095 25.656 1.00 0.00 WT4 O ATOM 48314 H1 TIP3 1308 28.064 78.201 25.817 1.00 0.00 WT4 H ATOM 48315 H2 TIP3 1308 29.143 78.492 24.797 1.00 0.00 WT4 H ATOM 48316 OH2 TIP3 1322 81.174 75.820 55.373 1.00 0.00 WT4 O ATOM 48317 H1 TIP3 1322 80.385 76.108 54.913 1.00 0.00 WT4 H ATOM 48318 H2 TIP3 1322 81.615 76.631 55.625 1.00 0.00 WT4 H ATOM 48319 OH2 TIP3 1327 41.623 47.413 41.684 1.00 0.00 WT4 O ATOM 48320 H1 TIP3 1327 41.905 48.276 41.987 1.00 0.00 WT4 H ATOM 48321 H2 TIP3 1327 40.829 47.230 42.186 1.00 0.00 WT4 H ATOM 48322 OH2 TIP3 1328 21.087 37.119 38.085 1.00 0.00 WT4 O ATOM 48323 H1 TIP3 1328 20.841 37.755 38.755 1.00 0.00 WT4 H ATOM 48324 H2 TIP3 1328 21.611 37.619 37.459 1.00 0.00 WT4 H ATOM 48325 OH2 TIP3 1329 42.293 72.895 56.248 1.00 0.00 WT4 O ATOM 48326 H1 TIP3 1329 42.465 72.336 55.490 1.00 0.00 WT4 H ATOM 48327 H2 TIP3 1329 41.711 73.578 55.915 1.00 0.00 WT4 H ATOM 48328 OH2 TIP3 1330 37.278 67.652 15.851 1.00 0.00 WT4 O ATOM 48329 H1 TIP3 1330 37.202 67.189 16.685 1.00 0.00 WT4 H ATOM 48330 H2 TIP3 1330 38.047 67.266 15.432 1.00 0.00 WT4 H ATOM 48331 OH2 TIP3 1331 29.788 69.283 41.932 1.00 0.00 WT4 O ATOM 48332 H1 TIP3 1331 30.740 69.301 41.834 1.00 0.00 WT4 H ATOM 48333 H2 TIP3 1331 29.537 70.203 42.011 1.00 0.00 WT4 H ATOM 48334 OH2 TIP3 1333 40.422 3.204 -1.783 1.00 0.00 WT4 O ATOM 48335 H1 TIP3 1333 40.784 3.959 -2.248 1.00 0.00 WT4 H ATOM 48336 H2 TIP3 1333 40.113 3.561 -0.950 1.00 0.00 WT4 H ATOM 48337 OH2 TIP3 1344 84.196 54.689 5.690 1.00 0.00 WT4 O ATOM 48338 H1 TIP3 1344 84.104 53.752 5.518 1.00 0.00 WT4 H ATOM 48339 H2 TIP3 1344 85.136 54.820 5.813 1.00 0.00 WT4 H ATOM 48340 OH2 TIP3 1349 25.647 65.699 47.215 1.00 0.00 WT4 O ATOM 48341 H1 TIP3 1349 25.572 65.520 46.278 1.00 0.00 WT4 H ATOM 48342 H2 TIP3 1349 26.399 65.178 47.499 1.00 0.00 WT4 H ATOM 48343 OH2 TIP3 1350 31.587 61.902 58.038 1.00 0.00 WT4 O ATOM 48344 H1 TIP3 1350 30.638 62.026 58.043 1.00 0.00 WT4 H ATOM 48345 H2 TIP3 1350 31.834 61.975 57.116 1.00 0.00 WT4 H ATOM 48346 OH2 TIP3 1351 51.414 54.319 50.196 1.00 0.00 WT4 O ATOM 48347 H1 TIP3 1351 50.919 53.699 49.661 1.00 0.00 WT4 H ATOM 48348 H2 TIP3 1351 51.587 55.057 49.612 1.00 0.00 WT4 H ATOM 48349 OH2 TIP3 1352 83.972 54.746 57.711 1.00 0.00 WT4 O ATOM 48350 H1 TIP3 1352 83.368 55.383 58.094 1.00 0.00 WT4 H ATOM 48351 H2 TIP3 1352 83.738 53.915 58.124 1.00 0.00 WT4 H ATOM 48352 OH2 TIP3 1354 21.943 44.888 58.525 1.00 0.00 WT4 O ATOM 48353 H1 TIP3 1354 21.241 45.531 58.424 1.00 0.00 WT4 H ATOM 48354 H2 TIP3 1354 21.490 44.050 58.615 1.00 0.00 WT4 H ATOM 48355 OH2 TIP3 1367 21.257 15.746 63.483 1.00 0.00 WT4 O ATOM 48356 H1 TIP3 1367 20.476 16.250 63.713 1.00 0.00 WT4 H ATOM 48357 H2 TIP3 1367 21.245 14.999 64.081 1.00 0.00 WT4 H ATOM 48358 OH2 TIP3 1368 38.757 6.416 -14.644 1.00 0.00 WT4 O ATOM 48359 H1 TIP3 1368 39.247 6.387 -15.466 1.00 0.00 WT4 H ATOM 48360 H2 TIP3 1368 39.407 6.661 -13.986 1.00 0.00 WT4 H ATOM 48361 OH2 TIP3 1370 36.521 75.865 22.695 1.00 0.00 WT4 O ATOM 48362 H1 TIP3 1370 36.938 75.011 22.813 1.00 0.00 WT4 H ATOM 48363 H2 TIP3 1370 35.655 75.765 23.091 1.00 0.00 WT4 H ATOM 48364 OH2 TIP3 1371 84.790 58.159 -5.429 1.00 0.00 WT4 O ATOM 48365 H1 TIP3 1371 85.355 57.932 -4.690 1.00 0.00 WT4 H ATOM 48366 H2 TIP3 1371 85.088 57.593 -6.142 1.00 0.00 WT4 H ATOM 48367 OH2 TIP3 1374 31.413 67.965 46.132 1.00 0.00 WT4 O ATOM 48368 H1 TIP3 1374 31.629 67.690 45.241 1.00 0.00 WT4 H ATOM 48369 H2 TIP3 1374 31.758 68.855 46.199 1.00 0.00 WT4 H ATOM 48370 OH2 TIP3 1375 80.379 68.077 58.990 1.00 0.00 WT4 O ATOM 48371 H1 TIP3 1375 81.200 68.559 58.897 1.00 0.00 WT4 H ATOM 48372 H2 TIP3 1375 80.616 67.164 58.827 1.00 0.00 WT4 H ATOM 48373 OH2 TIP3 1386 20.403 66.531 36.401 1.00 0.00 WT4 O ATOM 48374 H1 TIP3 1386 19.651 66.771 35.860 1.00 0.00 WT4 H ATOM 48375 H2 TIP3 1386 21.153 66.588 35.809 1.00 0.00 WT4 H ATOM 48376 OH2 TIP3 1387 50.030 72.975 6.141 1.00 0.00 WT4 O ATOM 48377 H1 TIP3 1387 50.251 73.375 6.981 1.00 0.00 WT4 H ATOM 48378 H2 TIP3 1387 50.746 72.362 5.971 1.00 0.00 WT4 H ATOM 48379 OH2 TIP3 1388 49.006 14.690 65.718 1.00 0.00 WT4 O ATOM 48380 H1 TIP3 1388 49.187 15.597 65.470 1.00 0.00 WT4 H ATOM 48381 H2 TIP3 1388 49.589 14.524 66.459 1.00 0.00 WT4 H ATOM 48382 OH2 TIP3 1389 44.815 10.484 43.458 1.00 0.00 WT4 O ATOM 48383 H1 TIP3 1389 44.315 10.104 42.736 1.00 0.00 WT4 H ATOM 48384 H2 TIP3 1389 44.875 11.415 43.244 1.00 0.00 WT4 H ATOM 48385 OH2 TIP3 1392 48.479 71.895 2.657 1.00 0.00 WT4 O ATOM 48386 H1 TIP3 1392 48.768 72.122 1.773 1.00 0.00 WT4 H ATOM 48387 H2 TIP3 1392 49.275 71.609 3.104 1.00 0.00 WT4 H ATOM 48388 OH2 TIP3 1393 24.745 7.940 -10.523 1.00 0.00 WT4 O ATOM 48389 H1 TIP3 1393 24.273 7.131 -10.720 1.00 0.00 WT4 H ATOM 48390 H2 TIP3 1393 24.150 8.435 -9.960 1.00 0.00 WT4 H ATOM 48391 OH2 TIP3 1407 42.188 80.131 65.521 1.00 0.00 WT4 O ATOM 48392 H1 TIP3 1407 42.318 80.421 64.618 1.00 0.00 WT4 H ATOM 48393 H2 TIP3 1407 42.574 80.826 66.054 1.00 0.00 WT4 H ATOM 48394 OH2 TIP3 1408 83.570 59.180 46.166 1.00 0.00 WT4 O ATOM 48395 H1 TIP3 1408 82.801 58.892 46.658 1.00 0.00 WT4 H ATOM 48396 H2 TIP3 1408 84.314 58.919 46.708 1.00 0.00 WT4 H ATOM 48397 OH2 TIP3 1411 45.675 26.989 -10.050 1.00 0.00 WT4 O ATOM 48398 H1 TIP3 1411 46.128 26.218 -9.707 1.00 0.00 WT4 H ATOM 48399 H2 TIP3 1411 44.872 27.045 -9.533 1.00 0.00 WT4 H ATOM 48400 OH2 TIP3 1412 59.858 57.518 34.244 1.00 0.00 WT4 O ATOM 48401 H1 TIP3 1412 59.905 57.533 33.288 1.00 0.00 WT4 H ATOM 48402 H2 TIP3 1412 58.921 57.488 34.437 1.00 0.00 WT4 H ATOM 48403 OH2 TIP3 1413 85.448 55.004 63.265 1.00 0.00 WT4 O ATOM 48404 H1 TIP3 1413 84.520 54.840 63.431 1.00 0.00 WT4 H ATOM 48405 H2 TIP3 1413 85.483 55.277 62.348 1.00 0.00 WT4 H ATOM 48406 OH2 TIP3 1414 78.068 32.281 -0.421 1.00 0.00 WT4 O ATOM 48407 H1 TIP3 1414 77.507 31.514 -0.534 1.00 0.00 WT4 H ATOM 48408 H2 TIP3 1414 77.587 32.842 0.188 1.00 0.00 WT4 H ATOM 48409 OH2 TIP3 1415 86.692 66.845 -5.439 1.00 0.00 WT4 O ATOM 48410 H1 TIP3 1415 87.171 66.959 -6.259 1.00 0.00 WT4 H ATOM 48411 H2 TIP3 1415 85.864 66.440 -5.699 1.00 0.00 WT4 H ATOM 48412 OH2 TIP3 1418 78.305 89.274 4.431 1.00 0.00 WT4 O ATOM 48413 H1 TIP3 1418 78.685 90.131 4.627 1.00 0.00 WT4 H ATOM 48414 H2 TIP3 1418 78.696 89.024 3.593 1.00 0.00 WT4 H ATOM 48415 OH2 TIP3 1425 88.006 2.441 7.565 1.00 0.00 WT4 O ATOM 48416 H1 TIP3 1425 87.963 3.301 7.981 1.00 0.00 WT4 H ATOM 48417 H2 TIP3 1425 88.187 1.835 8.284 1.00 0.00 WT4 H ATOM 48418 OH2 TIP3 1427 39.901 43.960 -10.252 1.00 0.00 WT4 O ATOM 48419 H1 TIP3 1427 39.757 43.070 -9.930 1.00 0.00 WT4 H ATOM 48420 H2 TIP3 1427 39.021 44.328 -10.338 1.00 0.00 WT4 H ATOM 48421 OH2 TIP3 1428 88.468 47.820 7.051 1.00 0.00 WT4 O ATOM 48422 H1 TIP3 1428 87.710 47.469 7.518 1.00 0.00 WT4 H ATOM 48423 H2 TIP3 1428 88.454 48.758 7.241 1.00 0.00 WT4 H ATOM 48424 OH2 TIP3 1429 72.185 26.935 59.825 1.00 0.00 WT4 O ATOM 48425 H1 TIP3 1429 71.923 26.315 59.145 1.00 0.00 WT4 H ATOM 48426 H2 TIP3 1429 73.045 27.250 59.545 1.00 0.00 WT4 H ATOM 48427 OH2 TIP3 1430 59.129 91.017 -9.127 1.00 0.00 WT4 O ATOM 48428 H1 TIP3 1430 58.361 90.687 -8.660 1.00 0.00 WT4 H ATOM 48429 H2 TIP3 1430 59.767 91.203 -8.437 1.00 0.00 WT4 H ATOM 48430 OH2 TIP3 1431 70.202 79.247 61.241 1.00 0.00 WT4 O ATOM 48431 H1 TIP3 1431 69.463 79.016 61.803 1.00 0.00 WT4 H ATOM 48432 H2 TIP3 1431 70.527 78.407 60.915 1.00 0.00 WT4 H ATOM 48433 OH2 TIP3 1433 21.098 86.102 0.297 1.00 0.00 WT4 O ATOM 48434 H1 TIP3 1433 21.516 85.269 0.517 1.00 0.00 WT4 H ATOM 48435 H2 TIP3 1433 20.381 86.183 0.925 1.00 0.00 WT4 H ATOM 48436 OH2 TIP3 1435 75.201 86.096 -4.045 1.00 0.00 WT4 O ATOM 48437 H1 TIP3 1435 75.331 85.363 -3.444 1.00 0.00 WT4 H ATOM 48438 H2 TIP3 1435 74.466 85.828 -4.595 1.00 0.00 WT4 H ATOM 48439 OH2 TIP3 1450 55.493 82.871 -9.964 1.00 0.00 WT4 O ATOM 48440 H1 TIP3 1450 55.213 82.018 -9.632 1.00 0.00 WT4 H ATOM 48441 H2 TIP3 1450 55.277 83.485 -9.263 1.00 0.00 WT4 H ATOM 48442 OH2 TIP3 1451 48.481 87.785 56.480 1.00 0.00 WT4 O ATOM 48443 H1 TIP3 1451 48.371 87.236 55.704 1.00 0.00 WT4 H ATOM 48444 H2 TIP3 1451 47.686 87.641 56.992 1.00 0.00 WT4 H ATOM 48445 OH2 TIP3 1452 37.073 17.696 27.988 1.00 0.00 WT4 O ATOM 48446 H1 TIP3 1452 36.246 18.018 27.629 1.00 0.00 WT4 H ATOM 48447 H2 TIP3 1452 37.710 18.377 27.772 1.00 0.00 WT4 H ATOM 48448 OH2 TIP3 1453 31.291 76.378 64.837 1.00 0.00 WT4 O ATOM 48449 H1 TIP3 1453 30.728 75.678 65.170 1.00 0.00 WT4 H ATOM 48450 H2 TIP3 1453 32.154 75.973 64.755 1.00 0.00 WT4 H ATOM 48451 OH2 TIP3 1454 83.300 33.170 59.852 1.00 0.00 WT4 O ATOM 48452 H1 TIP3 1454 83.003 33.900 60.396 1.00 0.00 WT4 H ATOM 48453 H2 TIP3 1454 84.235 33.097 60.039 1.00 0.00 WT4 H ATOM 48454 OH2 TIP3 1457 30.895 74.208 -6.495 1.00 0.00 WT4 O ATOM 48455 H1 TIP3 1457 30.728 73.825 -5.633 1.00 0.00 WT4 H ATOM 48456 H2 TIP3 1457 31.834 74.084 -6.635 1.00 0.00 WT4 H ATOM 48457 OH2 TIP3 1458 29.530 89.274 17.238 1.00 0.00 WT4 O ATOM 48458 H1 TIP3 1458 29.281 89.012 18.125 1.00 0.00 WT4 H ATOM 48459 H2 TIP3 1458 30.132 88.590 16.946 1.00 0.00 WT4 H ATOM 48460 OH2 TIP3 1474 38.260 58.970 56.135 1.00 0.00 WT4 O ATOM 48461 H1 TIP3 1474 38.625 58.086 56.093 1.00 0.00 WT4 H ATOM 48462 H2 TIP3 1474 37.343 58.864 55.882 1.00 0.00 WT4 H ATOM 48463 OH2 TIP3 1478 56.727 7.259 43.907 1.00 0.00 WT4 O ATOM 48464 H1 TIP3 1478 56.427 8.027 43.421 1.00 0.00 WT4 H ATOM 48465 H2 TIP3 1478 56.240 7.291 44.731 1.00 0.00 WT4 H ATOM 48466 OH2 TIP3 1480 48.463 31.640 -3.613 1.00 0.00 WT4 O ATOM 48467 H1 TIP3 1480 48.771 32.530 -3.446 1.00 0.00 WT4 H ATOM 48468 H2 TIP3 1480 48.044 31.688 -4.472 1.00 0.00 WT4 H ATOM 48469 OH2 TIP3 1493 77.188 82.015 61.699 1.00 0.00 WT4 O ATOM 48470 H1 TIP3 1493 76.377 82.275 62.136 1.00 0.00 WT4 H ATOM 48471 H2 TIP3 1493 77.160 81.058 61.689 1.00 0.00 WT4 H ATOM 48472 OH2 TIP3 1494 71.821 39.385 -12.480 1.00 0.00 WT4 O ATOM 48473 H1 TIP3 1494 72.533 38.752 -12.386 1.00 0.00 WT4 H ATOM 48474 H2 TIP3 1494 72.262 40.231 -12.560 1.00 0.00 WT4 H ATOM 48475 OH2 TIP3 1496 39.769 60.270 0.922 1.00 0.00 WT4 O ATOM 48476 H1 TIP3 1496 40.471 60.404 1.559 1.00 0.00 WT4 H ATOM 48477 H2 TIP3 1496 39.388 61.139 0.798 1.00 0.00 WT4 H ATOM 48478 OH2 TIP3 1497 84.646 29.270 30.718 1.00 0.00 WT4 O ATOM 48479 H1 TIP3 1497 85.544 28.947 30.780 1.00 0.00 WT4 H ATOM 48480 H2 TIP3 1497 84.715 30.208 30.896 1.00 0.00 WT4 H ATOM 48481 OH2 TIP3 1499 52.338 53.881 46.003 1.00 0.00 WT4 O ATOM 48482 H1 TIP3 1499 52.891 53.329 45.451 1.00 0.00 WT4 H ATOM 48483 H2 TIP3 1499 51.783 54.358 45.387 1.00 0.00 WT4 H ATOM 48484 OH2 TIP3 1512 23.291 77.060 37.229 1.00 0.00 WT4 O ATOM 48485 H1 TIP3 1512 23.348 76.328 37.843 1.00 0.00 WT4 H ATOM 48486 H2 TIP3 1512 24.073 77.584 37.406 1.00 0.00 WT4 H ATOM 48487 OH2 TIP3 1515 76.813 81.312 29.164 1.00 0.00 WT4 O ATOM 48488 H1 TIP3 1515 76.540 80.398 29.243 1.00 0.00 WT4 H ATOM 48489 H2 TIP3 1515 76.012 81.815 29.316 1.00 0.00 WT4 H ATOM 48490 OH2 TIP3 1519 75.233 71.489 59.234 1.00 0.00 WT4 O ATOM 48491 H1 TIP3 1519 75.988 71.106 59.681 1.00 0.00 WT4 H ATOM 48492 H2 TIP3 1519 74.911 70.790 58.665 1.00 0.00 WT4 H ATOM 48493 OH2 TIP3 1532 71.926 81.157 49.264 1.00 0.00 WT4 O ATOM 48494 H1 TIP3 1532 71.920 80.346 48.757 1.00 0.00 WT4 H ATOM 48495 H2 TIP3 1532 72.824 81.481 49.188 1.00 0.00 WT4 H ATOM 48496 OH2 TIP3 1551 53.818 88.783 52.090 1.00 0.00 WT4 O ATOM 48497 H1 TIP3 1551 54.402 88.849 51.334 1.00 0.00 WT4 H ATOM 48498 H2 TIP3 1551 52.962 88.578 51.715 1.00 0.00 WT4 H ATOM 48499 OH2 TIP3 1558 29.057 65.084 1.932 1.00 0.00 WT4 O ATOM 48500 H1 TIP3 1558 28.419 65.176 2.640 1.00 0.00 WT4 H ATOM 48501 H2 TIP3 1558 29.342 64.172 1.984 1.00 0.00 WT4 H ATOM 48502 OH2 TIP3 1559 70.252 29.815 43.724 1.00 0.00 WT4 O ATOM 48503 H1 TIP3 1559 70.368 29.284 42.936 1.00 0.00 WT4 H ATOM 48504 H2 TIP3 1559 71.141 30.051 43.988 1.00 0.00 WT4 H ATOM 48505 OH2 TIP3 1618 63.183 6.374 5.129 1.00 0.00 WT4 O ATOM 48506 H1 TIP3 1618 62.450 6.863 5.505 1.00 0.00 WT4 H ATOM 48507 H2 TIP3 1618 63.024 6.392 4.185 1.00 0.00 WT4 H ATOM 48508 OH2 TIP3 1621 30.394 44.149 -12.294 1.00 0.00 WT4 O ATOM 48509 H1 TIP3 1621 30.732 43.258 -12.385 1.00 0.00 WT4 H ATOM 48510 H2 TIP3 1621 29.523 44.037 -11.912 1.00 0.00 WT4 H ATOM 48511 OH2 TIP3 1707 48.336 50.056 47.875 1.00 0.00 WT4 O ATOM 48512 H1 TIP3 1707 48.812 50.063 48.706 1.00 0.00 WT4 H ATOM 48513 H2 TIP3 1707 48.704 49.315 47.394 1.00 0.00 WT4 H ATOM 48514 OH2 TIP3 1712 61.239 35.135 33.709 1.00 0.00 WT4 O ATOM 48515 H1 TIP3 1712 60.690 34.368 33.541 1.00 0.00 WT4 H ATOM 48516 H2 TIP3 1712 61.397 35.511 32.843 1.00 0.00 WT4 H ATOM 48517 OH2 TIP3 1723 47.749 61.545 1.861 1.00 0.00 WT4 O ATOM 48518 H1 TIP3 1723 47.854 60.992 2.635 1.00 0.00 WT4 H ATOM 48519 H2 TIP3 1723 48.180 62.368 2.095 1.00 0.00 WT4 H ATOM 48520 OH2 TIP3 1725 57.177 52.537 36.814 1.00 0.00 WT4 O ATOM 48521 H1 TIP3 1725 57.029 51.874 36.140 1.00 0.00 WT4 H ATOM 48522 H2 TIP3 1725 56.381 53.068 36.809 1.00 0.00 WT4 H ATOM 48523 OH2 TIP3 1730 73.612 61.134 49.697 1.00 0.00 WT4 O ATOM 48524 H1 TIP3 1730 73.806 61.615 50.502 1.00 0.00 WT4 H ATOM 48525 H2 TIP3 1730 73.219 60.314 49.996 1.00 0.00 WT4 H ATOM 48526 OH2 TIP3 1733 62.251 2.376 45.459 1.00 0.00 WT4 O ATOM 48527 H1 TIP3 1733 63.119 2.603 45.126 1.00 0.00 WT4 H ATOM 48528 H2 TIP3 1733 62.380 2.247 46.398 1.00 0.00 WT4 H ATOM 48529 OH2 TIP3 1746 39.158 82.053 48.074 1.00 0.00 WT4 O ATOM 48530 H1 TIP3 1746 39.166 82.270 49.006 1.00 0.00 WT4 H ATOM 48531 H2 TIP3 1746 38.303 81.647 47.929 1.00 0.00 WT4 H ATOM 48532 OH2 TIP3 1748 73.379 39.856 -15.441 1.00 0.00 WT4 O ATOM 48533 H1 TIP3 1748 74.226 40.188 -15.739 1.00 0.00 WT4 H ATOM 48534 H2 TIP3 1748 73.587 39.326 -14.671 1.00 0.00 WT4 H ATOM 48535 OH2 TIP3 1750 44.234 84.553 -3.773 1.00 0.00 WT4 O ATOM 48536 H1 TIP3 1750 43.890 83.895 -3.169 1.00 0.00 WT4 H ATOM 48537 H2 TIP3 1750 45.163 84.619 -3.552 1.00 0.00 WT4 H ATOM 48538 OH2 TIP3 1764 52.827 95.580 -9.793 1.00 0.00 WT4 O ATOM 48539 H1 TIP3 1764 52.460 94.696 -9.774 1.00 0.00 WT4 H ATOM 48540 H2 TIP3 1764 52.628 95.903 -10.672 1.00 0.00 WT4 H ATOM 48541 OH2 TIP3 1766 60.978 80.248 32.648 1.00 0.00 WT4 O ATOM 48542 H1 TIP3 1766 60.072 80.544 32.737 1.00 0.00 WT4 H ATOM 48543 H2 TIP3 1766 61.055 79.522 33.268 1.00 0.00 WT4 H ATOM 48544 OH2 TIP3 1768 43.168 19.179 -17.679 1.00 0.00 WT4 O ATOM 48545 H1 TIP3 1768 43.237 18.351 -17.204 1.00 0.00 WT4 H ATOM 48546 H2 TIP3 1768 43.729 19.063 -18.446 1.00 0.00 WT4 H ATOM 48547 OH2 TIP3 1771 74.264 26.054 -10.154 1.00 0.00 WT4 O ATOM 48548 H1 TIP3 1771 74.864 25.493 -10.645 1.00 0.00 WT4 H ATOM 48549 H2 TIP3 1771 74.044 26.760 -10.761 1.00 0.00 WT4 H ATOM 48550 OH2 TIP3 1773 47.437 49.559 -5.066 1.00 0.00 WT4 O ATOM 48551 H1 TIP3 1773 47.752 49.051 -4.319 1.00 0.00 WT4 H ATOM 48552 H2 TIP3 1773 47.735 50.452 -4.893 1.00 0.00 WT4 H ATOM 48553 OH2 TIP3 1788 52.583 19.791 -17.457 1.00 0.00 WT4 O ATOM 48554 H1 TIP3 1788 53.436 19.912 -17.040 1.00 0.00 WT4 H ATOM 48555 H2 TIP3 1788 52.781 19.711 -18.390 1.00 0.00 WT4 H ATOM 48556 OH2 TIP3 1789 75.492 64.341 3.846 1.00 0.00 WT4 O ATOM 48557 H1 TIP3 1789 75.251 63.418 3.931 1.00 0.00 WT4 H ATOM 48558 H2 TIP3 1789 74.686 64.775 3.568 1.00 0.00 WT4 H ATOM 48559 OH2 TIP3 1790 73.540 35.994 -16.805 1.00 0.00 WT4 O ATOM 48560 H1 TIP3 1790 72.861 36.646 -16.977 1.00 0.00 WT4 H ATOM 48561 H2 TIP3 1790 74.361 36.445 -17.000 1.00 0.00 WT4 H ATOM 48562 OH2 TIP3 1795 33.839 46.512 34.488 1.00 0.00 WT4 O ATOM 48563 H1 TIP3 1795 34.437 46.162 35.148 1.00 0.00 WT4 H ATOM 48564 H2 TIP3 1795 34.268 46.326 33.653 1.00 0.00 WT4 H ATOM 48565 OH2 TIP3 1796 23.000 92.203 44.130 1.00 0.00 WT4 O ATOM 48566 H1 TIP3 1796 22.713 91.329 44.392 1.00 0.00 WT4 H ATOM 48567 H2 TIP3 1796 23.870 92.067 43.754 1.00 0.00 WT4 H ATOM 48568 OH2 TIP3 1810 89.175 80.744 37.208 1.00 0.00 WT4 O ATOM 48569 H1 TIP3 1810 89.095 80.914 36.270 1.00 0.00 WT4 H ATOM 48570 H2 TIP3 1810 89.475 79.837 37.264 1.00 0.00 WT4 H ATOM 48571 OH2 TIP3 1811 68.911 32.675 53.380 1.00 0.00 WT4 O ATOM 48572 H1 TIP3 1811 69.699 32.184 53.148 1.00 0.00 WT4 H ATOM 48573 H2 TIP3 1811 69.176 33.593 53.328 1.00 0.00 WT4 H ATOM 48574 OH2 TIP3 1813 34.230 59.866 51.397 1.00 0.00 WT4 O ATOM 48575 H1 TIP3 1813 34.894 60.554 51.341 1.00 0.00 WT4 H ATOM 48576 H2 TIP3 1813 34.340 59.497 52.273 1.00 0.00 WT4 H ATOM 48577 OH2 TIP3 1814 43.323 20.556 32.406 1.00 0.00 WT4 O ATOM 48578 H1 TIP3 1814 43.896 21.309 32.550 1.00 0.00 WT4 H ATOM 48579 H2 TIP3 1814 43.396 20.373 31.469 1.00 0.00 WT4 H ATOM 48580 OH2 TIP3 1816 49.222 94.807 20.056 1.00 0.00 WT4 O ATOM 48581 H1 TIP3 1816 48.707 94.635 19.268 1.00 0.00 WT4 H ATOM 48582 H2 TIP3 1816 48.787 95.553 20.469 1.00 0.00 WT4 H ATOM 48583 OH2 TIP3 1829 89.647 85.008 20.870 1.00 0.00 WT4 O ATOM 48584 H1 TIP3 1829 90.286 84.306 20.744 1.00 0.00 WT4 H ATOM 48585 H2 TIP3 1829 90.054 85.777 20.473 1.00 0.00 WT4 H ATOM 48586 OH2 TIP3 1830 57.220 44.519 46.318 1.00 0.00 WT4 O ATOM 48587 H1 TIP3 1830 57.609 44.215 45.498 1.00 0.00 WT4 H ATOM 48588 H2 TIP3 1830 56.286 44.327 46.227 1.00 0.00 WT4 H ATOM 48589 OH2 TIP3 1831 44.128 67.290 63.498 1.00 0.00 WT4 O ATOM 48590 H1 TIP3 1831 44.380 67.029 62.612 1.00 0.00 WT4 H ATOM 48591 H2 TIP3 1831 43.320 67.789 63.381 1.00 0.00 WT4 H ATOM 48592 OH2 TIP3 1832 23.915 65.525 26.132 1.00 0.00 WT4 O ATOM 48593 H1 TIP3 1832 23.158 65.594 26.714 1.00 0.00 WT4 H ATOM 48594 H2 TIP3 1832 23.538 65.391 25.262 1.00 0.00 WT4 H ATOM 48595 OH2 TIP3 1835 57.114 65.430 51.217 1.00 0.00 WT4 O ATOM 48596 H1 TIP3 1835 56.425 65.367 50.555 1.00 0.00 WT4 H ATOM 48597 H2 TIP3 1835 57.570 64.590 51.170 1.00 0.00 WT4 H ATOM 48598 OH2 TIP3 1837 31.373 25.433 43.285 1.00 0.00 WT4 O ATOM 48599 H1 TIP3 1837 31.469 25.054 42.411 1.00 0.00 WT4 H ATOM 48600 H2 TIP3 1837 32.249 25.746 43.508 1.00 0.00 WT4 H ATOM 48601 OH2 TIP3 1847 24.161 94.277 -11.285 1.00 0.00 WT4 O ATOM 48602 H1 TIP3 1847 23.911 94.392 -12.202 1.00 0.00 WT4 H ATOM 48603 H2 TIP3 1847 23.438 94.661 -10.789 1.00 0.00 WT4 H ATOM 48604 OH2 TIP3 1850 88.059 4.047 45.393 1.00 0.00 WT4 O ATOM 48605 H1 TIP3 1850 88.107 3.979 46.347 1.00 0.00 WT4 H ATOM 48606 H2 TIP3 1850 87.239 3.612 45.162 1.00 0.00 WT4 H ATOM 48607 OH2 TIP3 1851 65.224 78.999 -14.897 1.00 0.00 WT4 O ATOM 48608 H1 TIP3 1851 64.766 78.699 -14.112 1.00 0.00 WT4 H ATOM 48609 H2 TIP3 1851 64.602 78.849 -15.610 1.00 0.00 WT4 H ATOM 48610 OH2 TIP3 1852 78.330 3.765 49.697 1.00 0.00 WT4 O ATOM 48611 H1 TIP3 1852 78.951 3.389 49.072 1.00 0.00 WT4 H ATOM 48612 H2 TIP3 1852 78.848 3.915 50.488 1.00 0.00 WT4 H ATOM 48613 OH2 TIP3 1853 36.835 41.229 46.200 1.00 0.00 WT4 O ATOM 48614 H1 TIP3 1853 36.418 41.496 45.381 1.00 0.00 WT4 H ATOM 48615 H2 TIP3 1853 36.931 40.280 46.123 1.00 0.00 WT4 H ATOM 48616 OH2 TIP3 1856 41.464 53.715 34.258 1.00 0.00 WT4 O ATOM 48617 H1 TIP3 1856 41.685 54.585 34.591 1.00 0.00 WT4 H ATOM 48618 H2 TIP3 1856 40.528 53.621 34.438 1.00 0.00 WT4 H ATOM 48619 OH2 TIP3 1870 65.238 1.926 46.884 1.00 0.00 WT4 O ATOM 48620 H1 TIP3 1870 65.422 1.026 47.153 1.00 0.00 WT4 H ATOM 48621 H2 TIP3 1870 65.239 1.896 45.927 1.00 0.00 WT4 H ATOM 48622 OH2 TIP3 1871 82.506 63.498 -10.698 1.00 0.00 WT4 O ATOM 48623 H1 TIP3 1871 82.887 64.360 -10.534 1.00 0.00 WT4 H ATOM 48624 H2 TIP3 1871 81.662 63.519 -10.247 1.00 0.00 WT4 H ATOM 48625 OH2 TIP3 1872 37.252 80.157 29.418 1.00 0.00 WT4 O ATOM 48626 H1 TIP3 1872 37.602 81.013 29.171 1.00 0.00 WT4 H ATOM 48627 H2 TIP3 1872 37.861 79.528 29.031 1.00 0.00 WT4 H ATOM 48628 OH2 TIP3 1873 73.617 80.121 -0.881 1.00 0.00 WT4 O ATOM 48629 H1 TIP3 1873 73.822 79.229 -1.160 1.00 0.00 WT4 H ATOM 48630 H2 TIP3 1873 73.415 80.041 0.051 1.00 0.00 WT4 H ATOM 48631 OH2 TIP3 1875 41.174 75.333 55.199 1.00 0.00 WT4 O ATOM 48632 H1 TIP3 1875 40.230 75.179 55.191 1.00 0.00 WT4 H ATOM 48633 H2 TIP3 1875 41.283 76.136 55.709 1.00 0.00 WT4 H ATOM 48634 OH2 TIP3 1881 76.360 51.752 54.219 1.00 0.00 WT4 O ATOM 48635 H1 TIP3 1881 76.035 52.340 54.901 1.00 0.00 WT4 H ATOM 48636 H2 TIP3 1881 77.013 51.210 54.661 1.00 0.00 WT4 H ATOM 48637 OH2 TIP3 1885 26.340 71.186 7.610 1.00 0.00 WT4 O ATOM 48638 H1 TIP3 1885 27.206 71.300 8.001 1.00 0.00 WT4 H ATOM 48639 H2 TIP3 1885 25.823 71.913 7.958 1.00 0.00 WT4 H ATOM 48640 OH2 TIP3 1891 41.207 80.331 -4.004 1.00 0.00 WT4 O ATOM 48641 H1 TIP3 1891 40.477 79.714 -3.948 1.00 0.00 WT4 H ATOM 48642 H2 TIP3 1891 41.914 79.911 -3.514 1.00 0.00 WT4 H ATOM 48643 OH2 TIP3 1894 46.854 82.000 -2.768 1.00 0.00 WT4 O ATOM 48644 H1 TIP3 1894 47.626 81.775 -3.288 1.00 0.00 WT4 H ATOM 48645 H2 TIP3 1894 46.123 81.596 -3.237 1.00 0.00 WT4 H ATOM 48646 OH2 TIP3 1895 24.125 74.930 50.031 1.00 0.00 WT4 O ATOM 48647 H1 TIP3 1895 23.359 75.173 50.550 1.00 0.00 WT4 H ATOM 48648 H2 TIP3 1895 24.001 75.378 49.194 1.00 0.00 WT4 H ATOM 48649 OH2 TIP3 1896 73.886 11.217 59.440 1.00 0.00 WT4 O ATOM 48650 H1 TIP3 1896 74.622 10.623 59.587 1.00 0.00 WT4 H ATOM 48651 H2 TIP3 1896 73.591 11.019 58.551 1.00 0.00 WT4 H ATOM 48652 OH2 TIP3 1897 85.994 92.402 49.982 1.00 0.00 WT4 O ATOM 48653 H1 TIP3 1897 86.428 91.704 49.492 1.00 0.00 WT4 H ATOM 48654 H2 TIP3 1897 86.343 92.326 50.869 1.00 0.00 WT4 H ATOM 48655 OH2 TIP3 1911 88.262 83.881 12.251 1.00 0.00 WT4 O ATOM 48656 H1 TIP3 1911 87.894 84.712 11.951 1.00 0.00 WT4 H ATOM 48657 H2 TIP3 1911 87.512 83.395 12.593 1.00 0.00 WT4 H ATOM 48658 OH2 TIP3 1912 66.008 11.638 -18.839 1.00 0.00 WT4 O ATOM 48659 H1 TIP3 1912 65.596 12.133 -19.548 1.00 0.00 WT4 H ATOM 48660 H2 TIP3 1912 65.475 10.847 -18.758 1.00 0.00 WT4 H ATOM 48661 OH2 TIP3 1914 69.461 64.547 49.298 1.00 0.00 WT4 O ATOM 48662 H1 TIP3 1914 69.782 63.798 49.802 1.00 0.00 WT4 H ATOM 48663 H2 TIP3 1914 68.826 64.171 48.689 1.00 0.00 WT4 H ATOM 48664 OH2 TIP3 1915 51.752 2.806 54.239 1.00 0.00 WT4 O ATOM 48665 H1 TIP3 1915 51.035 2.299 54.620 1.00 0.00 WT4 H ATOM 48666 H2 TIP3 1915 51.352 3.272 53.504 1.00 0.00 WT4 H ATOM 48667 OH2 TIP3 1917 78.100 92.985 8.567 1.00 0.00 WT4 O ATOM 48668 H1 TIP3 1917 78.899 93.284 8.133 1.00 0.00 WT4 H ATOM 48669 H2 TIP3 1917 78.175 92.031 8.579 1.00 0.00 WT4 H ATOM 48670 OH2 TIP3 1919 68.107 59.627 52.729 1.00 0.00 WT4 O ATOM 48671 H1 TIP3 1919 67.568 60.161 52.147 1.00 0.00 WT4 H ATOM 48672 H2 TIP3 1919 67.763 58.739 52.627 1.00 0.00 WT4 H ATOM 48673 OH2 TIP3 1931 70.329 25.581 22.046 1.00 0.00 WT4 O ATOM 48674 H1 TIP3 1931 71.195 25.492 21.647 1.00 0.00 WT4 H ATOM 48675 H2 TIP3 1931 69.737 25.720 21.306 1.00 0.00 WT4 H ATOM 48676 OH2 TIP3 1935 63.638 16.514 0.257 1.00 0.00 WT4 O ATOM 48677 H1 TIP3 1935 64.181 15.816 -0.109 1.00 0.00 WT4 H ATOM 48678 H2 TIP3 1935 64.238 17.252 0.367 1.00 0.00 WT4 H ATOM 48679 OH2 TIP3 1936 81.050 66.040 8.350 1.00 0.00 WT4 O ATOM 48680 H1 TIP3 1936 80.446 65.299 8.403 1.00 0.00 WT4 H ATOM 48681 H2 TIP3 1936 81.834 65.681 7.935 1.00 0.00 WT4 H ATOM 48682 OH2 TIP3 1937 58.712 12.532 -17.037 1.00 0.00 WT4 O ATOM 48683 H1 TIP3 1937 59.325 11.950 -17.485 1.00 0.00 WT4 H ATOM 48684 H2 TIP3 1937 59.235 12.950 -16.352 1.00 0.00 WT4 H ATOM 48685 OH2 TIP3 1938 58.662 10.999 24.141 1.00 0.00 WT4 O ATOM 48686 H1 TIP3 1938 59.024 11.883 24.209 1.00 0.00 WT4 H ATOM 48687 H2 TIP3 1938 58.848 10.732 23.241 1.00 0.00 WT4 H ATOM 48688 OH2 TIP3 1950 25.178 59.002 -7.297 1.00 0.00 WT4 O ATOM 48689 H1 TIP3 1950 24.483 59.114 -6.648 1.00 0.00 WT4 H ATOM 48690 H2 TIP3 1950 25.981 58.941 -6.780 1.00 0.00 WT4 H ATOM 48691 OH2 TIP3 1952 79.889 68.055 46.260 1.00 0.00 WT4 O ATOM 48692 H1 TIP3 1952 79.797 68.413 45.377 1.00 0.00 WT4 H ATOM 48693 H2 TIP3 1952 79.555 67.160 46.192 1.00 0.00 WT4 H ATOM 48694 OH2 TIP3 1954 22.634 3.296 2.684 1.00 0.00 WT4 O ATOM 48695 H1 TIP3 1954 22.899 4.087 2.216 1.00 0.00 WT4 H ATOM 48696 H2 TIP3 1954 22.102 3.615 3.413 1.00 0.00 WT4 H ATOM 48697 OH2 TIP3 1955 80.091 74.945 16.470 1.00 0.00 WT4 O ATOM 48698 H1 TIP3 1955 79.361 75.243 17.014 1.00 0.00 WT4 H ATOM 48699 H2 TIP3 1955 80.632 75.725 16.346 1.00 0.00 WT4 H ATOM 48700 OH2 TIP3 1977 52.008 74.289 55.969 1.00 0.00 WT4 O ATOM 48701 H1 TIP3 1977 52.711 74.183 56.610 1.00 0.00 WT4 H ATOM 48702 H2 TIP3 1977 51.363 73.624 56.208 1.00 0.00 WT4 H ATOM 48703 OH2 TIP3 1983 77.502 42.839 55.793 1.00 0.00 WT4 O ATOM 48704 H1 TIP3 1983 78.282 42.539 55.327 1.00 0.00 WT4 H ATOM 48705 H2 TIP3 1983 77.552 43.794 55.757 1.00 0.00 WT4 H ATOM 48706 OH2 TIP3 1993 88.938 94.701 17.929 1.00 0.00 WT4 O ATOM 48707 H1 TIP3 1993 88.719 95.093 17.083 1.00 0.00 WT4 H ATOM 48708 H2 TIP3 1993 89.524 95.335 18.342 1.00 0.00 WT4 H ATOM 48709 OH2 TIP3 2002 58.121 83.633 -15.752 1.00 0.00 WT4 O ATOM 48710 H1 TIP3 2002 58.570 84.029 -16.499 1.00 0.00 WT4 H ATOM 48711 H2 TIP3 2002 57.333 84.164 -15.637 1.00 0.00 WT4 H ATOM 48712 OH2 TIP3 2021 40.998 51.948 -15.572 1.00 0.00 WT4 O ATOM 48713 H1 TIP3 2021 41.362 51.150 -15.953 1.00 0.00 WT4 H ATOM 48714 H2 TIP3 2021 41.638 52.212 -14.910 1.00 0.00 WT4 H ATOM 48715 OH2 TIP3 2105 61.482 96.070 29.379 1.00 0.00 WT4 O ATOM 48716 H1 TIP3 2105 61.791 96.843 28.907 1.00 0.00 WT4 H ATOM 48717 H2 TIP3 2105 61.624 95.344 28.770 1.00 0.00 WT4 H ATOM 48718 OH2 TIP3 2123 82.910 71.841 40.533 1.00 0.00 WT4 O ATOM 48719 H1 TIP3 2123 82.241 71.159 40.581 1.00 0.00 WT4 H ATOM 48720 H2 TIP3 2123 83.721 71.368 40.345 1.00 0.00 WT4 H ATOM 48721 OH2 TIP3 2163 71.389 76.566 8.223 1.00 0.00 WT4 O ATOM 48722 H1 TIP3 2163 71.252 77.037 9.045 1.00 0.00 WT4 H ATOM 48723 H2 TIP3 2163 71.744 75.718 8.489 1.00 0.00 WT4 H ATOM 48724 OH2 TIP3 2165 39.828 33.018 57.792 1.00 0.00 WT4 O ATOM 48725 H1 TIP3 2165 40.187 33.697 57.220 1.00 0.00 WT4 H ATOM 48726 H2 TIP3 2165 39.174 32.572 57.254 1.00 0.00 WT4 H ATOM 48727 OH2 TIP3 2167 72.658 10.214 51.071 1.00 0.00 WT4 O ATOM 48728 H1 TIP3 2167 72.740 11.044 50.602 1.00 0.00 WT4 H ATOM 48729 H2 TIP3 2167 71.841 10.295 51.561 1.00 0.00 WT4 H ATOM 48730 OH2 TIP3 2185 83.404 0.658 61.751 1.00 0.00 WT4 O ATOM 48731 H1 TIP3 2185 82.992 1.262 62.369 1.00 0.00 WT4 H ATOM 48732 H2 TIP3 2185 83.382 -0.190 62.194 1.00 0.00 WT4 H ATOM 48733 OH2 TIP3 2186 41.418 53.444 59.610 1.00 0.00 WT4 O ATOM 48734 H1 TIP3 2186 41.125 54.327 59.387 1.00 0.00 WT4 H ATOM 48735 H2 TIP3 2186 41.692 53.506 60.525 1.00 0.00 WT4 H ATOM 48736 OH2 TIP3 2187 84.352 90.016 3.855 1.00 0.00 WT4 O ATOM 48737 H1 TIP3 2187 84.305 89.523 3.036 1.00 0.00 WT4 H ATOM 48738 H2 TIP3 2187 85.280 90.227 3.956 1.00 0.00 WT4 H ATOM 48739 OH2 TIP3 2208 73.139 89.024 34.279 1.00 0.00 WT4 O ATOM 48740 H1 TIP3 2208 73.495 88.275 33.802 1.00 0.00 WT4 H ATOM 48741 H2 TIP3 2208 72.235 89.096 33.972 1.00 0.00 WT4 H ATOM 48742 OH2 TIP3 2227 36.450 54.861 41.890 1.00 0.00 WT4 O ATOM 48743 H1 TIP3 2227 36.580 54.521 41.004 1.00 0.00 WT4 H ATOM 48744 H2 TIP3 2227 37.278 54.686 42.337 1.00 0.00 WT4 H ATOM 48745 OH2 TIP3 2229 69.731 72.418 55.267 1.00 0.00 WT4 O ATOM 48746 H1 TIP3 2229 69.467 73.258 55.641 1.00 0.00 WT4 H ATOM 48747 H2 TIP3 2229 68.967 71.853 55.381 1.00 0.00 WT4 H ATOM 48748 OH2 TIP3 2231 88.611 53.134 16.518 1.00 0.00 WT4 O ATOM 48749 H1 TIP3 2231 89.259 52.797 17.138 1.00 0.00 WT4 H ATOM 48750 H2 TIP3 2231 88.141 52.357 16.217 1.00 0.00 WT4 H ATOM 48751 OH2 TIP3 2232 81.509 86.301 -18.791 1.00 0.00 WT4 O ATOM 48752 H1 TIP3 2232 82.250 86.237 -19.393 1.00 0.00 WT4 H ATOM 48753 H2 TIP3 2232 81.732 85.710 -18.072 1.00 0.00 WT4 H ATOM 48754 OH2 TIP3 2251 38.945 22.357 25.271 1.00 0.00 WT4 O ATOM 48755 H1 TIP3 2251 39.647 21.709 25.316 1.00 0.00 WT4 H ATOM 48756 H2 TIP3 2251 38.780 22.596 26.183 1.00 0.00 WT4 H ATOM 48757 OH2 TIP3 2253 39.013 78.298 28.410 1.00 0.00 WT4 O ATOM 48758 H1 TIP3 2253 39.282 77.777 27.653 1.00 0.00 WT4 H ATOM 48759 H2 TIP3 2253 39.463 77.894 29.152 1.00 0.00 WT4 H ATOM 48760 OH2 TIP3 2254 82.294 63.025 42.389 1.00 0.00 WT4 O ATOM 48761 H1 TIP3 2254 83.033 62.525 42.042 1.00 0.00 WT4 H ATOM 48762 H2 TIP3 2254 81.705 63.131 41.642 1.00 0.00 WT4 H ATOM 48763 OH2 TIP3 2269 69.081 87.863 -6.087 1.00 0.00 WT4 O ATOM 48764 H1 TIP3 2269 68.299 87.532 -5.644 1.00 0.00 WT4 H ATOM 48765 H2 TIP3 2269 69.536 87.077 -6.389 1.00 0.00 WT4 H ATOM 48766 OH2 TIP3 2270 85.312 53.024 51.099 1.00 0.00 WT4 O ATOM 48767 H1 TIP3 2270 85.542 53.949 51.018 1.00 0.00 WT4 H ATOM 48768 H2 TIP3 2270 86.148 52.562 51.039 1.00 0.00 WT4 H ATOM 48769 OH2 TIP3 2271 64.633 60.953 67.678 1.00 0.00 WT4 O ATOM 48770 H1 TIP3 2271 64.445 60.563 66.825 1.00 0.00 WT4 H ATOM 48771 H2 TIP3 2271 64.364 61.867 67.589 1.00 0.00 WT4 H ATOM 48772 OH2 TIP3 2272 25.407 48.371 -2.171 1.00 0.00 WT4 O ATOM 48773 H1 TIP3 2272 25.518 48.967 -1.430 1.00 0.00 WT4 H ATOM 48774 H2 TIP3 2272 24.491 48.474 -2.426 1.00 0.00 WT4 H ATOM 48775 OH2 TIP3 2273 64.895 74.618 -15.908 1.00 0.00 WT4 O ATOM 48776 H1 TIP3 2273 64.360 74.273 -16.622 1.00 0.00 WT4 H ATOM 48777 H2 TIP3 2273 64.488 74.271 -15.114 1.00 0.00 WT4 H ATOM 48778 OH2 TIP3 2274 28.857 49.625 41.018 1.00 0.00 WT4 O ATOM 48779 H1 TIP3 2274 29.740 49.330 41.240 1.00 0.00 WT4 H ATOM 48780 H2 TIP3 2274 28.928 49.940 40.117 1.00 0.00 WT4 H ATOM 48781 OH2 TIP3 2275 50.228 95.006 8.910 1.00 0.00 WT4 O ATOM 48782 H1 TIP3 2275 50.115 94.966 7.960 1.00 0.00 WT4 H ATOM 48783 H2 TIP3 2275 49.637 95.704 9.193 1.00 0.00 WT4 H ATOM 48784 OH2 TIP3 2277 24.510 82.767 0.547 1.00 0.00 WT4 O ATOM 48785 H1 TIP3 2277 25.284 82.240 0.349 1.00 0.00 WT4 H ATOM 48786 H2 TIP3 2277 24.396 82.681 1.493 1.00 0.00 WT4 H ATOM 48787 OH2 TIP3 2280 52.330 80.114 50.215 1.00 0.00 WT4 O ATOM 48788 H1 TIP3 2280 52.574 81.019 50.407 1.00 0.00 WT4 H ATOM 48789 H2 TIP3 2280 52.362 80.055 49.260 1.00 0.00 WT4 H ATOM 48790 OH2 TIP3 2288 62.425 92.227 36.666 1.00 0.00 WT4 O ATOM 48791 H1 TIP3 2288 61.566 91.908 36.390 1.00 0.00 WT4 H ATOM 48792 H2 TIP3 2288 62.299 93.165 36.807 1.00 0.00 WT4 H ATOM 48793 OH2 TIP3 2292 85.300 74.033 29.802 1.00 0.00 WT4 O ATOM 48794 H1 TIP3 2292 84.923 74.548 30.516 1.00 0.00 WT4 H ATOM 48795 H2 TIP3 2292 84.897 73.169 29.891 1.00 0.00 WT4 H ATOM 48796 OH2 TIP3 2293 38.984 4.963 10.751 1.00 0.00 WT4 O ATOM 48797 H1 TIP3 2293 38.369 5.584 11.141 1.00 0.00 WT4 H ATOM 48798 H2 TIP3 2293 39.750 4.993 11.324 1.00 0.00 WT4 H ATOM 48799 OH2 TIP3 2294 53.366 27.838 65.904 1.00 0.00 WT4 O ATOM 48800 H1 TIP3 2294 53.903 27.116 65.577 1.00 0.00 WT4 H ATOM 48801 H2 TIP3 2294 53.045 28.274 65.115 1.00 0.00 WT4 H ATOM 48802 OH2 TIP3 2296 58.160 76.318 32.725 1.00 0.00 WT4 O ATOM 48803 H1 TIP3 2296 57.601 76.490 33.483 1.00 0.00 WT4 H ATOM 48804 H2 TIP3 2296 57.981 75.405 32.498 1.00 0.00 WT4 H ATOM 48805 OH2 TIP3 2309 36.974 56.340 54.476 1.00 0.00 WT4 O ATOM 48806 H1 TIP3 2309 36.390 57.051 54.212 1.00 0.00 WT4 H ATOM 48807 H2 TIP3 2309 37.267 55.952 53.651 1.00 0.00 WT4 H ATOM 48808 OH2 TIP3 2311 60.063 2.607 -8.023 1.00 0.00 WT4 O ATOM 48809 H1 TIP3 2311 59.219 2.183 -8.179 1.00 0.00 WT4 H ATOM 48810 H2 TIP3 2311 60.088 2.752 -7.078 1.00 0.00 WT4 H ATOM 48811 OH2 TIP3 2312 28.558 39.577 -11.818 1.00 0.00 WT4 O ATOM 48812 H1 TIP3 2312 28.600 39.599 -12.774 1.00 0.00 WT4 H ATOM 48813 H2 TIP3 2312 29.472 39.514 -11.539 1.00 0.00 WT4 H ATOM 48814 OH2 TIP3 2313 33.857 96.399 49.636 1.00 0.00 WT4 O ATOM 48815 H1 TIP3 2313 34.194 96.683 50.486 1.00 0.00 WT4 H ATOM 48816 H2 TIP3 2313 33.616 97.211 49.191 1.00 0.00 WT4 H ATOM 48817 OH2 TIP3 2314 64.079 96.293 40.916 1.00 0.00 WT4 O ATOM 48818 H1 TIP3 2314 64.231 95.358 40.777 1.00 0.00 WT4 H ATOM 48819 H2 TIP3 2314 63.614 96.579 40.130 1.00 0.00 WT4 H ATOM 48820 OH2 TIP3 2315 76.568 27.841 29.515 1.00 0.00 WT4 O ATOM 48821 H1 TIP3 2315 77.126 28.091 28.779 1.00 0.00 WT4 H ATOM 48822 H2 TIP3 2315 77.175 27.490 30.167 1.00 0.00 WT4 H ATOM 48823 OH2 TIP3 2316 55.568 35.864 51.897 1.00 0.00 WT4 O ATOM 48824 H1 TIP3 2316 54.710 35.543 51.618 1.00 0.00 WT4 H ATOM 48825 H2 TIP3 2316 55.375 36.646 52.414 1.00 0.00 WT4 H ATOM 48826 OH2 TIP3 2317 78.919 55.957 51.234 1.00 0.00 WT4 O ATOM 48827 H1 TIP3 2317 79.853 55.784 51.353 1.00 0.00 WT4 H ATOM 48828 H2 TIP3 2317 78.744 55.716 50.324 1.00 0.00 WT4 H ATOM 48829 OH2 TIP3 2318 74.781 53.534 31.131 1.00 0.00 WT4 O ATOM 48830 H1 TIP3 2318 75.178 54.195 30.564 1.00 0.00 WT4 H ATOM 48831 H2 TIP3 2318 74.030 53.976 31.527 1.00 0.00 WT4 H ATOM 48832 OH2 TIP3 2319 89.806 2.310 67.483 1.00 0.00 WT4 O ATOM 48833 H1 TIP3 2319 89.636 3.224 67.256 1.00 0.00 WT4 H ATOM 48834 H2 TIP3 2319 89.669 1.830 66.666 1.00 0.00 WT4 H ATOM 48835 OH2 TIP3 2329 46.812 40.486 9.363 1.00 0.00 WT4 O ATOM 48836 H1 TIP3 2329 46.893 39.797 10.022 1.00 0.00 WT4 H ATOM 48837 H2 TIP3 2329 47.201 41.258 9.774 1.00 0.00 WT4 H ATOM 48838 OH2 TIP3 2331 78.570 95.390 18.314 1.00 0.00 WT4 O ATOM 48839 H1 TIP3 2331 79.202 95.309 17.600 1.00 0.00 WT4 H ATOM 48840 H2 TIP3 2331 77.898 94.738 18.114 1.00 0.00 WT4 H ATOM 48841 OH2 TIP3 2332 60.065 19.567 20.291 1.00 0.00 WT4 O ATOM 48842 H1 TIP3 2332 59.589 20.169 20.864 1.00 0.00 WT4 H ATOM 48843 H2 TIP3 2332 59.794 19.813 19.407 1.00 0.00 WT4 H ATOM 48844 OH2 TIP3 2333 57.917 25.483 35.851 1.00 0.00 WT4 O ATOM 48845 H1 TIP3 2333 58.012 24.948 35.063 1.00 0.00 WT4 H ATOM 48846 H2 TIP3 2333 57.074 25.923 35.742 1.00 0.00 WT4 H ATOM 48847 OH2 TIP3 2335 68.834 63.902 2.637 1.00 0.00 WT4 O ATOM 48848 H1 TIP3 2335 69.070 64.481 3.361 1.00 0.00 WT4 H ATOM 48849 H2 TIP3 2335 67.964 64.197 2.366 1.00 0.00 WT4 H ATOM 48850 OH2 TIP3 2339 80.663 7.809 60.676 1.00 0.00 WT4 O ATOM 48851 H1 TIP3 2339 80.780 8.587 60.130 1.00 0.00 WT4 H ATOM 48852 H2 TIP3 2339 81.426 7.264 60.484 1.00 0.00 WT4 H ATOM 48853 OH2 TIP3 2351 86.039 63.193 -8.028 1.00 0.00 WT4 O ATOM 48854 H1 TIP3 2351 85.775 64.032 -7.650 1.00 0.00 WT4 H ATOM 48855 H2 TIP3 2351 86.970 63.119 -7.818 1.00 0.00 WT4 H ATOM 48856 OH2 TIP3 2352 60.735 79.888 50.461 1.00 0.00 WT4 O ATOM 48857 H1 TIP3 2352 60.577 80.357 49.642 1.00 0.00 WT4 H ATOM 48858 H2 TIP3 2352 61.587 80.208 50.760 1.00 0.00 WT4 H ATOM 48859 OH2 TIP3 2355 58.943 64.707 42.494 1.00 0.00 WT4 O ATOM 48860 H1 TIP3 2355 58.649 64.742 41.584 1.00 0.00 WT4 H ATOM 48861 H2 TIP3 2355 58.156 64.483 42.992 1.00 0.00 WT4 H ATOM 48862 OH2 TIP3 2357 47.250 43.244 -9.719 1.00 0.00 WT4 O ATOM 48863 H1 TIP3 2357 47.229 42.358 -10.081 1.00 0.00 WT4 H ATOM 48864 H2 TIP3 2357 48.075 43.286 -9.236 1.00 0.00 WT4 H ATOM 48865 OH2 TIP3 2358 40.402 94.235 0.997 1.00 0.00 WT4 O ATOM 48866 H1 TIP3 2358 40.885 94.678 1.695 1.00 0.00 WT4 H ATOM 48867 H2 TIP3 2358 40.770 93.351 0.973 1.00 0.00 WT4 H ATOM 48868 OH2 TIP3 2359 42.171 39.378 32.528 1.00 0.00 WT4 O ATOM 48869 H1 TIP3 2359 42.793 39.198 31.823 1.00 0.00 WT4 H ATOM 48870 H2 TIP3 2359 41.325 39.459 32.087 1.00 0.00 WT4 H ATOM 48871 OH2 TIP3 2376 89.447 18.941 -18.554 1.00 0.00 WT4 O ATOM 48872 H1 TIP3 2376 89.454 17.986 -18.616 1.00 0.00 WT4 H ATOM 48873 H2 TIP3 2376 88.790 19.134 -17.886 1.00 0.00 WT4 H ATOM 48874 OH2 TIP3 2377 60.517 2.159 24.306 1.00 0.00 WT4 O ATOM 48875 H1 TIP3 2377 61.452 2.349 24.385 1.00 0.00 WT4 H ATOM 48876 H2 TIP3 2377 60.481 1.266 23.965 1.00 0.00 WT4 H ATOM 48877 OH2 TIP3 2378 90.032 32.371 58.124 1.00 0.00 WT4 O ATOM 48878 H1 TIP3 2378 90.731 31.936 58.613 1.00 0.00 WT4 H ATOM 48879 H2 TIP3 2378 89.263 31.817 58.260 1.00 0.00 WT4 H ATOM 48880 OH2 TIP3 2380 67.457 78.295 43.827 1.00 0.00 WT4 O ATOM 48881 H1 TIP3 2380 68.109 78.629 43.211 1.00 0.00 WT4 H ATOM 48882 H2 TIP3 2380 66.710 78.885 43.730 1.00 0.00 WT4 H ATOM 48883 OH2 TIP3 2397 59.585 7.142 50.540 1.00 0.00 WT4 O ATOM 48884 H1 TIP3 2397 59.928 7.754 49.889 1.00 0.00 WT4 H ATOM 48885 H2 TIP3 2397 60.363 6.722 50.908 1.00 0.00 WT4 H ATOM 48886 OH2 TIP3 2398 64.120 3.534 -3.294 1.00 0.00 WT4 O ATOM 48887 H1 TIP3 2398 64.839 3.073 -2.864 1.00 0.00 WT4 H ATOM 48888 H2 TIP3 2398 64.542 4.050 -3.982 1.00 0.00 WT4 H ATOM 48889 OH2 TIP3 2418 64.321 19.994 -4.099 1.00 0.00 WT4 O ATOM 48890 H1 TIP3 2418 64.919 20.538 -3.587 1.00 0.00 WT4 H ATOM 48891 H2 TIP3 2418 64.872 19.295 -4.450 1.00 0.00 WT4 H ATOM 48892 OH2 TIP3 2436 76.529 6.511 2.448 1.00 0.00 WT4 O ATOM 48893 H1 TIP3 2436 76.682 6.494 3.393 1.00 0.00 WT4 H ATOM 48894 H2 TIP3 2436 77.292 6.964 2.090 1.00 0.00 WT4 H ATOM 48895 OH2 TIP3 2477 59.644 73.869 66.888 1.00 0.00 WT4 O ATOM 48896 H1 TIP3 2477 59.363 74.464 67.583 1.00 0.00 WT4 H ATOM 48897 H2 TIP3 2477 59.519 74.368 66.080 1.00 0.00 WT4 H ATOM 48898 OH2 TIP3 2508 37.695 60.682 14.801 1.00 0.00 WT4 O ATOM 48899 H1 TIP3 2508 38.355 60.802 14.118 1.00 0.00 WT4 H ATOM 48900 H2 TIP3 2508 38.197 60.638 15.615 1.00 0.00 WT4 H ATOM 48901 OH2 TIP3 2606 80.433 57.627 -4.759 1.00 0.00 WT4 O ATOM 48902 H1 TIP3 2606 80.726 58.487 -4.460 1.00 0.00 WT4 H ATOM 48903 H2 TIP3 2606 80.993 57.431 -5.511 1.00 0.00 WT4 H ATOM 48904 OH2 TIP3 2607 81.788 62.138 48.265 1.00 0.00 WT4 O ATOM 48905 H1 TIP3 2607 82.161 61.749 47.473 1.00 0.00 WT4 H ATOM 48906 H2 TIP3 2607 80.889 61.810 48.293 1.00 0.00 WT4 H ATOM 48907 OH2 TIP3 2608 24.704 60.537 45.217 1.00 0.00 WT4 O ATOM 48908 H1 TIP3 2608 25.427 61.104 44.948 1.00 0.00 WT4 H ATOM 48909 H2 TIP3 2608 24.485 60.037 44.430 1.00 0.00 WT4 H ATOM 48910 OH2 TIP3 2610 43.068 51.545 39.806 1.00 0.00 WT4 O ATOM 48911 H1 TIP3 2610 42.723 52.170 39.169 1.00 0.00 WT4 H ATOM 48912 H2 TIP3 2610 42.805 50.688 39.469 1.00 0.00 WT4 H ATOM 48913 OH2 TIP3 2624 41.305 4.668 62.813 1.00 0.00 WT4 O ATOM 48914 H1 TIP3 2624 42.127 4.180 62.783 1.00 0.00 WT4 H ATOM 48915 H2 TIP3 2624 41.572 5.583 62.907 1.00 0.00 WT4 H ATOM 48916 OH2 TIP3 2628 44.139 80.146 -2.845 1.00 0.00 WT4 O ATOM 48917 H1 TIP3 2628 44.518 79.650 -3.571 1.00 0.00 WT4 H ATOM 48918 H2 TIP3 2628 44.367 79.640 -2.065 1.00 0.00 WT4 H ATOM 48919 OH2 TIP3 2630 33.019 43.040 29.399 1.00 0.00 WT4 O ATOM 48920 H1 TIP3 2630 32.399 43.501 28.834 1.00 0.00 WT4 H ATOM 48921 H2 TIP3 2630 33.880 43.263 29.045 1.00 0.00 WT4 H ATOM 48922 OH2 TIP3 2632 27.625 33.360 -18.662 1.00 0.00 WT4 O ATOM 48923 H1 TIP3 2632 28.330 33.944 -18.940 1.00 0.00 WT4 H ATOM 48924 H2 TIP3 2632 26.828 33.765 -19.005 1.00 0.00 WT4 H ATOM 48925 OH2 TIP3 2634 40.858 68.328 37.236 1.00 0.00 WT4 O ATOM 48926 H1 TIP3 2634 41.619 68.866 37.016 1.00 0.00 WT4 H ATOM 48927 H2 TIP3 2634 41.193 67.432 37.250 1.00 0.00 WT4 H ATOM 48928 OH2 TIP3 2635 74.207 23.750 57.050 1.00 0.00 WT4 O ATOM 48929 H1 TIP3 2635 74.991 24.013 57.532 1.00 0.00 WT4 H ATOM 48930 H2 TIP3 2635 74.422 23.919 56.133 1.00 0.00 WT4 H ATOM 48931 OH2 TIP3 2649 29.193 75.850 -3.383 1.00 0.00 WT4 O ATOM 48932 H1 TIP3 2649 29.797 75.791 -2.643 1.00 0.00 WT4 H ATOM 48933 H2 TIP3 2649 29.188 74.970 -3.759 1.00 0.00 WT4 H ATOM 48934 OH2 TIP3 2650 47.972 16.151 47.978 1.00 0.00 WT4 O ATOM 48935 H1 TIP3 2650 47.870 16.244 47.031 1.00 0.00 WT4 H ATOM 48936 H2 TIP3 2650 47.115 15.852 48.283 1.00 0.00 WT4 H ATOM 48937 OH2 TIP3 2652 32.299 17.374 -12.676 1.00 0.00 WT4 O ATOM 48938 H1 TIP3 2652 32.857 16.611 -12.829 1.00 0.00 WT4 H ATOM 48939 H2 TIP3 2652 31.671 17.083 -12.015 1.00 0.00 WT4 H ATOM 48940 OH2 TIP3 2654 39.777 60.292 53.773 1.00 0.00 WT4 O ATOM 48941 H1 TIP3 2654 39.042 59.731 53.526 1.00 0.00 WT4 H ATOM 48942 H2 TIP3 2654 39.581 61.137 53.368 1.00 0.00 WT4 H ATOM 48943 OH2 TIP3 2667 73.204 45.009 -4.475 1.00 0.00 WT4 O ATOM 48944 H1 TIP3 2667 72.772 45.251 -3.656 1.00 0.00 WT4 H ATOM 48945 H2 TIP3 2667 72.836 44.153 -4.697 1.00 0.00 WT4 H ATOM 48946 OH2 TIP3 2669 21.132 1.387 -16.861 1.00 0.00 WT4 O ATOM 48947 H1 TIP3 2669 21.740 1.975 -16.413 1.00 0.00 WT4 H ATOM 48948 H2 TIP3 2669 20.435 1.232 -16.224 1.00 0.00 WT4 H ATOM 48949 OH2 TIP3 2670 69.229 79.744 42.600 1.00 0.00 WT4 O ATOM 48950 H1 TIP3 2670 69.362 79.741 41.652 1.00 0.00 WT4 H ATOM 48951 H2 TIP3 2670 69.765 80.471 42.915 1.00 0.00 WT4 H ATOM 48952 OH2 TIP3 2672 34.524 72.577 48.740 1.00 0.00 WT4 O ATOM 48953 H1 TIP3 2672 34.528 72.062 49.546 1.00 0.00 WT4 H ATOM 48954 H2 TIP3 2672 35.198 73.243 48.876 1.00 0.00 WT4 H ATOM 48955 OH2 TIP3 2673 49.147 7.008 26.628 1.00 0.00 WT4 O ATOM 48956 H1 TIP3 2673 49.218 7.924 26.359 1.00 0.00 WT4 H ATOM 48957 H2 TIP3 2673 48.425 6.997 27.256 1.00 0.00 WT4 H ATOM 48958 OH2 TIP3 2674 47.818 67.698 -1.733 1.00 0.00 WT4 O ATOM 48959 H1 TIP3 2674 48.303 67.034 -1.243 1.00 0.00 WT4 H ATOM 48960 H2 TIP3 2674 47.123 67.975 -1.137 1.00 0.00 WT4 H ATOM 48961 OH2 TIP3 2676 36.660 62.736 19.007 1.00 0.00 WT4 O ATOM 48962 H1 TIP3 2676 37.204 62.262 18.378 1.00 0.00 WT4 H ATOM 48963 H2 TIP3 2676 36.935 63.649 18.923 1.00 0.00 WT4 H ATOM 48964 OH2 TIP3 2690 51.070 36.439 3.977 1.00 0.00 WT4 O ATOM 48965 H1 TIP3 2690 51.640 37.151 4.269 1.00 0.00 WT4 H ATOM 48966 H2 TIP3 2690 51.184 35.754 4.636 1.00 0.00 WT4 H ATOM 48967 OH2 TIP3 2691 24.737 89.277 36.912 1.00 0.00 WT4 O ATOM 48968 H1 TIP3 2691 25.074 88.466 36.532 1.00 0.00 WT4 H ATOM 48969 H2 TIP3 2691 25.197 89.972 36.441 1.00 0.00 WT4 H ATOM 48970 OH2 TIP3 2692 88.593 88.380 38.998 1.00 0.00 WT4 O ATOM 48971 H1 TIP3 2692 88.003 87.892 38.424 1.00 0.00 WT4 H ATOM 48972 H2 TIP3 2692 89.094 88.942 38.406 1.00 0.00 WT4 H ATOM 48973 OH2 TIP3 2694 76.578 66.980 11.758 1.00 0.00 WT4 O ATOM 48974 H1 TIP3 2694 76.826 67.868 12.014 1.00 0.00 WT4 H ATOM 48975 H2 TIP3 2694 75.705 67.075 11.377 1.00 0.00 WT4 H ATOM 48976 OH2 TIP3 2695 26.496 22.596 19.589 1.00 0.00 WT4 O ATOM 48977 H1 TIP3 2695 26.333 21.657 19.680 1.00 0.00 WT4 H ATOM 48978 H2 TIP3 2695 25.677 23.009 19.864 1.00 0.00 WT4 H ATOM 48979 OH2 TIP3 2697 54.734 75.442 -10.842 1.00 0.00 WT4 O ATOM 48980 H1 TIP3 2697 54.829 76.257 -11.337 1.00 0.00 WT4 H ATOM 48981 H2 TIP3 2697 53.998 74.993 -11.258 1.00 0.00 WT4 H ATOM 48982 OH2 TIP3 2701 38.482 28.364 63.337 1.00 0.00 WT4 O ATOM 48983 H1 TIP3 2701 38.509 27.409 63.401 1.00 0.00 WT4 H ATOM 48984 H2 TIP3 2701 39.402 28.630 63.335 1.00 0.00 WT4 H ATOM 48985 OH2 TIP3 2709 56.785 87.366 -8.568 1.00 0.00 WT4 O ATOM 48986 H1 TIP3 2709 57.468 87.595 -9.198 1.00 0.00 WT4 H ATOM 48987 H2 TIP3 2709 56.844 86.415 -8.485 1.00 0.00 WT4 H ATOM 48988 OH2 TIP3 2710 62.989 2.868 4.507 1.00 0.00 WT4 O ATOM 48989 H1 TIP3 2710 63.221 1.970 4.744 1.00 0.00 WT4 H ATOM 48990 H2 TIP3 2710 62.521 3.204 5.271 1.00 0.00 WT4 H ATOM 48991 OH2 TIP3 2713 27.753 93.910 25.429 1.00 0.00 WT4 O ATOM 48992 H1 TIP3 2713 27.372 93.101 25.089 1.00 0.00 WT4 H ATOM 48993 H2 TIP3 2713 28.171 93.652 26.251 1.00 0.00 WT4 H ATOM 48994 OH2 TIP3 2714 85.162 58.390 12.466 1.00 0.00 WT4 O ATOM 48995 H1 TIP3 2714 86.045 58.080 12.261 1.00 0.00 WT4 H ATOM 48996 H2 TIP3 2714 85.199 59.335 12.318 1.00 0.00 WT4 H ATOM 48997 OH2 TIP3 2717 22.479 53.237 -7.480 1.00 0.00 WT4 O ATOM 48998 H1 TIP3 2717 22.912 53.477 -8.299 1.00 0.00 WT4 H ATOM 48999 H2 TIP3 2717 21.617 53.649 -7.535 1.00 0.00 WT4 H ATOM 49000 OH2 TIP3 2732 29.411 70.965 57.274 1.00 0.00 WT4 O ATOM 49001 H1 TIP3 2732 29.561 71.910 57.257 1.00 0.00 WT4 H ATOM 49002 H2 TIP3 2732 30.124 70.619 57.810 1.00 0.00 WT4 H ATOM 49003 OH2 TIP3 2734 88.935 81.479 15.865 1.00 0.00 WT4 O ATOM 49004 H1 TIP3 2734 88.614 80.672 15.462 1.00 0.00 WT4 H ATOM 49005 H2 TIP3 2734 88.648 81.423 16.776 1.00 0.00 WT4 H ATOM 49006 OH2 TIP3 2735 26.046 62.238 18.103 1.00 0.00 WT4 O ATOM 49007 H1 TIP3 2735 26.701 62.847 18.445 1.00 0.00 WT4 H ATOM 49008 H2 TIP3 2735 25.793 61.708 18.859 1.00 0.00 WT4 H ATOM 49009 OH2 TIP3 2736 89.811 58.975 13.504 1.00 0.00 WT4 O ATOM 49010 H1 TIP3 2736 90.518 58.675 14.076 1.00 0.00 WT4 H ATOM 49011 H2 TIP3 2736 90.011 59.896 13.338 1.00 0.00 WT4 H ATOM 49012 OH2 TIP3 2753 86.007 82.331 30.626 1.00 0.00 WT4 O ATOM 49013 H1 TIP3 2753 86.428 82.588 29.806 1.00 0.00 WT4 H ATOM 49014 H2 TIP3 2753 85.493 81.556 30.399 1.00 0.00 WT4 H ATOM 49015 OH2 TIP3 2754 90.440 60.236 51.477 1.00 0.00 WT4 O ATOM 49016 H1 TIP3 2754 89.535 59.969 51.321 1.00 0.00 WT4 H ATOM 49017 H2 TIP3 2754 90.539 61.052 50.986 1.00 0.00 WT4 H ATOM 49018 OH2 TIP3 2755 84.274 91.401 10.877 1.00 0.00 WT4 O ATOM 49019 H1 TIP3 2755 83.661 92.100 10.650 1.00 0.00 WT4 H ATOM 49020 H2 TIP3 2755 83.802 90.593 10.675 1.00 0.00 WT4 H ATOM 49021 OH2 TIP3 2757 28.063 11.444 60.131 1.00 0.00 WT4 O ATOM 49022 H1 TIP3 2757 28.132 11.621 61.069 1.00 0.00 WT4 H ATOM 49023 H2 TIP3 2757 27.134 11.263 59.988 1.00 0.00 WT4 H ATOM 49024 OH2 TIP3 2758 27.051 67.179 67.222 1.00 0.00 WT4 O ATOM 49025 H1 TIP3 2758 27.765 67.280 66.592 1.00 0.00 WT4 H ATOM 49026 H2 TIP3 2758 27.260 66.373 67.695 1.00 0.00 WT4 H ATOM 49027 OH2 TIP3 2771 67.924 88.729 41.710 1.00 0.00 WT4 O ATOM 49028 H1 TIP3 2771 68.177 89.616 41.455 1.00 0.00 WT4 H ATOM 49029 H2 TIP3 2771 68.228 88.176 40.990 1.00 0.00 WT4 H ATOM 49030 OH2 TIP3 2773 63.161 86.414 58.531 1.00 0.00 WT4 O ATOM 49031 H1 TIP3 2773 62.434 86.966 58.243 1.00 0.00 WT4 H ATOM 49032 H2 TIP3 2773 63.900 86.687 57.988 1.00 0.00 WT4 H ATOM 49033 OH2 TIP3 2774 57.978 26.503 63.040 1.00 0.00 WT4 O ATOM 49034 H1 TIP3 2774 58.908 26.694 62.920 1.00 0.00 WT4 H ATOM 49035 H2 TIP3 2774 57.636 26.407 62.151 1.00 0.00 WT4 H ATOM 49036 OH2 TIP3 2775 74.980 94.264 26.826 1.00 0.00 WT4 O ATOM 49037 H1 TIP3 2775 74.394 93.534 26.626 1.00 0.00 WT4 H ATOM 49038 H2 TIP3 2775 74.762 94.509 27.725 1.00 0.00 WT4 H ATOM 49039 OH2 TIP3 2776 57.618 9.836 49.773 1.00 0.00 WT4 O ATOM 49040 H1 TIP3 2776 58.372 9.249 49.717 1.00 0.00 WT4 H ATOM 49041 H2 TIP3 2776 57.913 10.646 49.356 1.00 0.00 WT4 H ATOM 49042 OH2 TIP3 2777 20.886 70.116 -4.132 1.00 0.00 WT4 O ATOM 49043 H1 TIP3 2777 20.541 69.411 -4.681 1.00 0.00 WT4 H ATOM 49044 H2 TIP3 2777 20.565 69.914 -3.253 1.00 0.00 WT4 H ATOM 49045 OH2 TIP3 2778 79.120 84.863 57.388 1.00 0.00 WT4 O ATOM 49046 H1 TIP3 2778 78.943 85.803 57.399 1.00 0.00 WT4 H ATOM 49047 H2 TIP3 2778 78.261 84.456 57.506 1.00 0.00 WT4 H ATOM 49048 OH2 TIP3 2793 70.760 68.258 61.364 1.00 0.00 WT4 O ATOM 49049 H1 TIP3 2793 71.371 68.344 60.631 1.00 0.00 WT4 H ATOM 49050 H2 TIP3 2793 71.027 67.451 61.805 1.00 0.00 WT4 H ATOM 49051 OH2 TIP3 2794 21.305 40.830 -18.913 1.00 0.00 WT4 O ATOM 49052 H1 TIP3 2794 22.258 40.903 -18.868 1.00 0.00 WT4 H ATOM 49053 H2 TIP3 2794 20.987 41.400 -18.214 1.00 0.00 WT4 H ATOM 49054 OH2 TIP3 2795 52.023 57.362 -1.643 1.00 0.00 WT4 O ATOM 49055 H1 TIP3 2795 52.934 57.078 -1.724 1.00 0.00 WT4 H ATOM 49056 H2 TIP3 2795 51.954 57.694 -0.748 1.00 0.00 WT4 H ATOM 49057 OH2 TIP3 2797 63.672 5.199 9.779 1.00 0.00 WT4 O ATOM 49058 H1 TIP3 2797 64.557 5.444 10.047 1.00 0.00 WT4 H ATOM 49059 H2 TIP3 2797 63.796 4.466 9.177 1.00 0.00 WT4 H ATOM 49060 OH2 TIP3 2815 40.620 30.745 2.015 1.00 0.00 WT4 O ATOM 49061 H1 TIP3 2815 40.772 29.993 1.443 1.00 0.00 WT4 H ATOM 49062 H2 TIP3 2815 40.897 30.447 2.881 1.00 0.00 WT4 H ATOM 49063 OH2 TIP3 2817 76.886 81.741 11.082 1.00 0.00 WT4 O ATOM 49064 H1 TIP3 2817 77.777 81.967 11.349 1.00 0.00 WT4 H ATOM 49065 H2 TIP3 2817 76.399 82.561 11.152 1.00 0.00 WT4 H ATOM 49066 OH2 TIP3 2818 90.233 27.480 30.531 1.00 0.00 WT4 O ATOM 49067 H1 TIP3 2818 90.508 26.972 31.294 1.00 0.00 WT4 H ATOM 49068 H2 TIP3 2818 91.046 27.834 30.171 1.00 0.00 WT4 H ATOM 49069 OH2 TIP3 2820 60.246 90.528 38.598 1.00 0.00 WT4 O ATOM 49070 H1 TIP3 2820 60.014 90.055 39.397 1.00 0.00 WT4 H ATOM 49071 H2 TIP3 2820 60.992 91.073 38.850 1.00 0.00 WT4 H ATOM 49072 OH2 TIP3 2821 26.010 15.302 61.626 1.00 0.00 WT4 O ATOM 49073 H1 TIP3 2821 25.963 15.012 60.715 1.00 0.00 WT4 H ATOM 49074 H2 TIP3 2821 25.789 14.524 62.138 1.00 0.00 WT4 H ATOM 49075 OH2 TIP3 2832 74.009 71.724 32.094 1.00 0.00 WT4 O ATOM 49076 H1 TIP3 2832 73.772 71.426 32.972 1.00 0.00 WT4 H ATOM 49077 H2 TIP3 2832 73.301 72.317 31.843 1.00 0.00 WT4 H ATOM 49078 OH2 TIP3 2842 88.411 13.207 -2.258 1.00 0.00 WT4 O ATOM 49079 H1 TIP3 2842 87.790 13.488 -1.585 1.00 0.00 WT4 H ATOM 49080 H2 TIP3 2842 88.536 13.980 -2.808 1.00 0.00 WT4 H ATOM 49081 OH2 TIP3 2843 53.259 28.762 -9.777 1.00 0.00 WT4 O ATOM 49082 H1 TIP3 2843 52.766 28.382 -9.050 1.00 0.00 WT4 H ATOM 49083 H2 TIP3 2843 53.626 29.571 -9.421 1.00 0.00 WT4 H ATOM 49084 OH2 TIP3 2857 27.660 50.029 55.317 1.00 0.00 WT4 O ATOM 49085 H1 TIP3 2857 27.407 49.467 54.585 1.00 0.00 WT4 H ATOM 49086 H2 TIP3 2857 26.849 50.167 55.805 1.00 0.00 WT4 H ATOM 49087 OH2 TIP3 2862 67.340 53.917 67.586 1.00 0.00 WT4 O ATOM 49088 H1 TIP3 2862 66.568 53.701 67.062 1.00 0.00 WT4 H ATOM 49089 H2 TIP3 2862 67.662 54.737 67.212 1.00 0.00 WT4 H ATOM 49090 OH2 TIP3 2877 27.952 95.767 62.983 1.00 0.00 WT4 O ATOM 49091 H1 TIP3 2877 28.531 95.703 63.743 1.00 0.00 WT4 H ATOM 49092 H2 TIP3 2877 27.096 95.988 63.351 1.00 0.00 WT4 H ATOM 49093 OH2 TIP3 2878 62.272 90.261 58.907 1.00 0.00 WT4 O ATOM 49094 H1 TIP3 2878 62.440 89.629 59.606 1.00 0.00 WT4 H ATOM 49095 H2 TIP3 2878 61.640 89.824 58.336 1.00 0.00 WT4 H ATOM 49096 OH2 TIP3 2944 31.895 36.126 -18.317 1.00 0.00 WT4 O ATOM 49097 H1 TIP3 2944 31.399 36.188 -17.500 1.00 0.00 WT4 H ATOM 49098 H2 TIP3 2944 32.797 35.971 -18.039 1.00 0.00 WT4 H ATOM 49099 OH2 TIP3 3010 36.425 73.713 67.330 1.00 0.00 WT4 O ATOM 49100 H1 TIP3 3010 35.723 73.210 66.916 1.00 0.00 WT4 H ATOM 49101 H2 TIP3 3010 37.135 73.707 66.687 1.00 0.00 WT4 H ATOM 49102 OH2 TIP3 3012 42.723 67.625 -5.910 1.00 0.00 WT4 O ATOM 49103 H1 TIP3 3012 43.388 66.964 -5.720 1.00 0.00 WT4 H ATOM 49104 H2 TIP3 3012 42.430 67.926 -5.050 1.00 0.00 WT4 H ATOM 49105 OH2 TIP3 3027 72.721 80.488 15.127 1.00 0.00 WT4 O ATOM 49106 H1 TIP3 3027 73.471 80.315 14.559 1.00 0.00 WT4 H ATOM 49107 H2 TIP3 3027 71.981 80.079 14.679 1.00 0.00 WT4 H ATOM 49108 OH2 TIP3 3046 60.040 92.452 53.937 1.00 0.00 WT4 O ATOM 49109 H1 TIP3 3046 59.643 91.815 53.344 1.00 0.00 WT4 H ATOM 49110 H2 TIP3 3046 60.764 92.829 53.437 1.00 0.00 WT4 H ATOM 49111 OH2 TIP3 3049 67.700 87.715 -11.561 1.00 0.00 WT4 O ATOM 49112 H1 TIP3 3049 66.828 87.844 -11.189 1.00 0.00 WT4 H ATOM 49113 H2 TIP3 3049 67.600 86.971 -12.155 1.00 0.00 WT4 H ATOM 49114 OH2 TIP3 3050 51.502 56.046 -18.423 1.00 0.00 WT4 O ATOM 49115 H1 TIP3 3050 51.855 55.232 -18.781 1.00 0.00 WT4 H ATOM 49116 H2 TIP3 3050 50.563 55.883 -18.337 1.00 0.00 WT4 H ATOM 49117 OH2 TIP3 3070 53.842 0.969 55.586 1.00 0.00 WT4 O ATOM 49118 H1 TIP3 3070 54.248 0.325 55.006 1.00 0.00 WT4 H ATOM 49119 H2 TIP3 3070 53.530 1.657 54.999 1.00 0.00 WT4 H ATOM 49120 OH2 TIP3 3072 59.577 4.376 64.613 1.00 0.00 WT4 O ATOM 49121 H1 TIP3 3072 59.245 3.886 63.860 1.00 0.00 WT4 H ATOM 49122 H2 TIP3 3072 60.477 4.599 64.377 1.00 0.00 WT4 H ATOM 49123 OH2 TIP3 3073 47.964 29.078 38.290 1.00 0.00 WT4 O ATOM 49124 H1 TIP3 3073 48.349 29.871 38.664 1.00 0.00 WT4 H ATOM 49125 H2 TIP3 3073 47.357 28.766 38.961 1.00 0.00 WT4 H ATOM 49126 OH2 TIP3 3092 63.736 76.300 48.804 1.00 0.00 WT4 O ATOM 49127 H1 TIP3 3092 63.168 76.483 48.055 1.00 0.00 WT4 H ATOM 49128 H2 TIP3 3092 64.405 75.710 48.458 1.00 0.00 WT4 H ATOM 49129 OH2 TIP3 3095 62.538 89.301 4.980 1.00 0.00 WT4 O ATOM 49130 H1 TIP3 3095 62.506 90.256 5.039 1.00 0.00 WT4 H ATOM 49131 H2 TIP3 3095 61.858 89.077 4.345 1.00 0.00 WT4 H ATOM 49132 OH2 TIP3 3097 26.277 49.134 47.204 1.00 0.00 WT4 O ATOM 49133 H1 TIP3 3097 26.442 49.360 48.120 1.00 0.00 WT4 H ATOM 49134 H2 TIP3 3097 26.911 49.655 46.711 1.00 0.00 WT4 H ATOM 49135 OH2 TIP3 3108 35.052 29.642 14.569 1.00 0.00 WT4 O ATOM 49136 H1 TIP3 3108 35.181 28.886 15.142 1.00 0.00 WT4 H ATOM 49137 H2 TIP3 3108 34.991 30.388 15.166 1.00 0.00 WT4 H ATOM 49138 OH2 TIP3 3109 32.751 56.114 47.267 1.00 0.00 WT4 O ATOM 49139 H1 TIP3 3109 32.585 56.425 48.157 1.00 0.00 WT4 H ATOM 49140 H2 TIP3 3109 33.416 55.434 47.371 1.00 0.00 WT4 H ATOM 49141 OH2 TIP3 3111 24.532 33.844 -16.898 1.00 0.00 WT4 O ATOM 49142 H1 TIP3 3111 24.517 33.058 -17.443 1.00 0.00 WT4 H ATOM 49143 H2 TIP3 3111 24.570 33.514 -16.000 1.00 0.00 WT4 H ATOM 49144 OH2 TIP3 3112 49.202 17.298 64.258 1.00 0.00 WT4 O ATOM 49145 H1 TIP3 3112 49.939 17.459 63.668 1.00 0.00 WT4 H ATOM 49146 H2 TIP3 3112 48.514 16.949 63.693 1.00 0.00 WT4 H ATOM 49147 OH2 TIP3 3114 32.085 16.882 24.118 1.00 0.00 WT4 O ATOM 49148 H1 TIP3 3114 32.658 16.118 24.057 1.00 0.00 WT4 H ATOM 49149 H2 TIP3 3114 32.558 17.575 23.658 1.00 0.00 WT4 H ATOM 49150 OH2 TIP3 3115 44.901 67.689 66.058 1.00 0.00 WT4 O ATOM 49151 H1 TIP3 3115 44.448 67.539 65.228 1.00 0.00 WT4 H ATOM 49152 H2 TIP3 3115 45.782 67.342 65.917 1.00 0.00 WT4 H ATOM 49153 OH2 TIP3 3116 65.097 3.775 52.666 1.00 0.00 WT4 O ATOM 49154 H1 TIP3 3116 65.837 3.376 53.125 1.00 0.00 WT4 H ATOM 49155 H2 TIP3 3116 65.428 4.623 52.369 1.00 0.00 WT4 H ATOM 49156 OH2 TIP3 3133 64.309 45.922 12.260 1.00 0.00 WT4 O ATOM 49157 H1 TIP3 3133 64.286 45.301 12.988 1.00 0.00 WT4 H ATOM 49158 H2 TIP3 3133 63.753 46.646 12.544 1.00 0.00 WT4 H ATOM 49159 OH2 TIP3 3134 46.559 90.881 -19.486 1.00 0.00 WT4 O ATOM 49160 H1 TIP3 3134 47.330 90.326 -19.603 1.00 0.00 WT4 H ATOM 49161 H2 TIP3 3134 46.114 90.855 -20.333 1.00 0.00 WT4 H ATOM 49162 OH2 TIP3 3140 86.637 48.899 58.132 1.00 0.00 WT4 O ATOM 49163 H1 TIP3 3140 85.990 49.595 58.241 1.00 0.00 WT4 H ATOM 49164 H2 TIP3 3140 86.726 48.514 59.004 1.00 0.00 WT4 H ATOM 49165 OH2 TIP3 3150 38.372 86.931 -11.739 1.00 0.00 WT4 O ATOM 49166 H1 TIP3 3150 38.769 86.927 -10.868 1.00 0.00 WT4 H ATOM 49167 H2 TIP3 3150 38.184 86.011 -11.921 1.00 0.00 WT4 H ATOM 49168 OH2 TIP3 3151 42.830 43.943 64.967 1.00 0.00 WT4 O ATOM 49169 H1 TIP3 3151 43.484 43.462 64.460 1.00 0.00 WT4 H ATOM 49170 H2 TIP3 3151 42.655 44.728 64.448 1.00 0.00 WT4 H ATOM 49171 OH2 TIP3 3152 63.349 74.610 36.218 1.00 0.00 WT4 O ATOM 49172 H1 TIP3 3152 62.636 74.027 36.479 1.00 0.00 WT4 H ATOM 49173 H2 TIP3 3152 63.246 74.705 35.271 1.00 0.00 WT4 H ATOM 49174 OH2 TIP3 3154 67.387 82.442 1.283 1.00 0.00 WT4 O ATOM 49175 H1 TIP3 3154 66.617 82.861 0.898 1.00 0.00 WT4 H ATOM 49176 H2 TIP3 3154 68.115 82.722 0.729 1.00 0.00 WT4 H ATOM 49177 OH2 TIP3 3157 59.452 94.911 -18.892 1.00 0.00 WT4 O ATOM 49178 H1 TIP3 3157 59.678 95.815 -19.110 1.00 0.00 WT4 H ATOM 49179 H2 TIP3 3157 58.520 94.840 -19.100 1.00 0.00 WT4 H ATOM 49180 OH2 TIP3 3173 86.187 86.961 28.275 1.00 0.00 WT4 O ATOM 49181 H1 TIP3 3173 86.094 87.070 29.222 1.00 0.00 WT4 H ATOM 49182 H2 TIP3 3173 85.408 86.470 28.012 1.00 0.00 WT4 H ATOM 49183 OH2 TIP3 3174 72.570 62.395 65.824 1.00 0.00 WT4 O ATOM 49184 H1 TIP3 3174 72.184 62.748 66.625 1.00 0.00 WT4 H ATOM 49185 H2 TIP3 3174 72.875 61.521 66.069 1.00 0.00 WT4 H ATOM 49186 OH2 TIP3 3176 64.401 61.078 47.231 1.00 0.00 WT4 O ATOM 49187 H1 TIP3 3176 64.157 60.363 46.644 1.00 0.00 WT4 H ATOM 49188 H2 TIP3 3176 64.903 61.680 46.681 1.00 0.00 WT4 H ATOM 49189 OH2 TIP3 3177 60.030 9.661 -4.558 1.00 0.00 WT4 O ATOM 49190 H1 TIP3 3177 59.900 8.918 -5.146 1.00 0.00 WT4 H ATOM 49191 H2 TIP3 3177 60.544 9.307 -3.832 1.00 0.00 WT4 H ATOM 49192 OH2 TIP3 3179 52.666 96.254 52.736 1.00 0.00 WT4 O ATOM 49193 H1 TIP3 3179 52.457 95.907 51.869 1.00 0.00 WT4 H ATOM 49194 H2 TIP3 3179 53.442 95.764 53.010 1.00 0.00 WT4 H ATOM 49195 OH2 TIP3 3180 83.208 73.948 62.748 1.00 0.00 WT4 O ATOM 49196 H1 TIP3 3180 83.882 73.376 62.380 1.00 0.00 WT4 H ATOM 49197 H2 TIP3 3180 82.822 73.437 63.460 1.00 0.00 WT4 H ATOM 49198 OH2 TIP3 3187 45.497 21.043 55.396 1.00 0.00 WT4 O ATOM 49199 H1 TIP3 3187 45.938 21.523 54.695 1.00 0.00 WT4 H ATOM 49200 H2 TIP3 3187 45.678 21.552 56.186 1.00 0.00 WT4 H ATOM 49201 OH2 TIP3 3192 65.897 57.346 46.904 1.00 0.00 WT4 O ATOM 49202 H1 TIP3 3192 66.854 57.380 46.900 1.00 0.00 WT4 H ATOM 49203 H2 TIP3 3192 65.680 56.796 47.657 1.00 0.00 WT4 H ATOM 49204 OH2 TIP3 3193 33.460 61.693 26.442 1.00 0.00 WT4 O ATOM 49205 H1 TIP3 3193 34.128 61.037 26.242 1.00 0.00 WT4 H ATOM 49206 H2 TIP3 3193 33.938 62.523 26.462 1.00 0.00 WT4 H ATOM 49207 OH2 TIP3 3195 45.487 86.491 31.568 1.00 0.00 WT4 O ATOM 49208 H1 TIP3 3195 46.178 85.908 31.255 1.00 0.00 WT4 H ATOM 49209 H2 TIP3 3195 45.521 87.243 30.978 1.00 0.00 WT4 H ATOM 49210 OH2 TIP3 3196 66.407 4.351 66.954 1.00 0.00 WT4 O ATOM 49211 H1 TIP3 3196 66.492 3.606 66.360 1.00 0.00 WT4 H ATOM 49212 H2 TIP3 3196 66.618 3.995 67.817 1.00 0.00 WT4 H ATOM 49213 OH2 TIP3 3198 65.978 6.858 -13.371 1.00 0.00 WT4 O ATOM 49214 H1 TIP3 3198 65.448 6.642 -12.604 1.00 0.00 WT4 H ATOM 49215 H2 TIP3 3198 65.830 7.793 -13.510 1.00 0.00 WT4 H ATOM 49216 OH2 TIP3 3200 84.393 51.595 31.675 1.00 0.00 WT4 O ATOM 49217 H1 TIP3 3200 83.491 51.877 31.527 1.00 0.00 WT4 H ATOM 49218 H2 TIP3 3200 84.915 52.388 31.556 1.00 0.00 WT4 H ATOM 49219 OH2 TIP3 3202 37.693 74.367 3.870 1.00 0.00 WT4 O ATOM 49220 H1 TIP3 3202 36.989 74.479 4.509 1.00 0.00 WT4 H ATOM 49221 H2 TIP3 3202 37.986 73.464 3.990 1.00 0.00 WT4 H ATOM 49222 OH2 TIP3 3214 82.317 75.586 0.497 1.00 0.00 WT4 O ATOM 49223 H1 TIP3 3214 81.940 75.589 -0.383 1.00 0.00 WT4 H ATOM 49224 H2 TIP3 3214 82.618 76.485 0.632 1.00 0.00 WT4 H ATOM 49225 OH2 TIP3 3215 79.096 1.542 10.395 1.00 0.00 WT4 O ATOM 49226 H1 TIP3 3215 79.247 0.642 10.109 1.00 0.00 WT4 H ATOM 49227 H2 TIP3 3215 79.891 1.779 10.871 1.00 0.00 WT4 H ATOM 49228 OH2 TIP3 3218 70.185 31.389 -0.849 1.00 0.00 WT4 O ATOM 49229 H1 TIP3 3218 70.061 32.195 -1.352 1.00 0.00 WT4 H ATOM 49230 H2 TIP3 3218 69.845 30.697 -1.416 1.00 0.00 WT4 H ATOM 49231 OH2 TIP3 3233 53.446 46.330 -11.895 1.00 0.00 WT4 O ATOM 49232 H1 TIP3 3233 52.983 46.997 -11.387 1.00 0.00 WT4 H ATOM 49233 H2 TIP3 3233 54.307 46.268 -11.483 1.00 0.00 WT4 H ATOM 49234 OH2 TIP3 3234 56.223 89.758 45.699 1.00 0.00 WT4 O ATOM 49235 H1 TIP3 3234 55.500 89.915 46.306 1.00 0.00 WT4 H ATOM 49236 H2 TIP3 3234 55.801 89.635 44.849 1.00 0.00 WT4 H ATOM 49237 OH2 TIP3 3236 36.574 12.375 -9.450 1.00 0.00 WT4 O ATOM 49238 H1 TIP3 3236 36.860 11.863 -8.693 1.00 0.00 WT4 H ATOM 49239 H2 TIP3 3236 35.718 12.011 -9.675 1.00 0.00 WT4 H ATOM 49240 OH2 TIP3 3237 36.358 89.845 43.659 1.00 0.00 WT4 O ATOM 49241 H1 TIP3 3237 36.682 88.966 43.853 1.00 0.00 WT4 H ATOM 49242 H2 TIP3 3237 35.475 89.706 43.317 1.00 0.00 WT4 H ATOM 49243 OH2 TIP3 3238 68.160 19.693 2.527 1.00 0.00 WT4 O ATOM 49244 H1 TIP3 3238 69.036 19.493 2.198 1.00 0.00 WT4 H ATOM 49245 H2 TIP3 3238 68.112 20.649 2.513 1.00 0.00 WT4 H ATOM 49246 OH2 TIP3 3240 39.407 17.542 65.685 1.00 0.00 WT4 O ATOM 49247 H1 TIP3 3240 38.520 17.229 65.861 1.00 0.00 WT4 H ATOM 49248 H2 TIP3 3240 39.705 17.903 66.520 1.00 0.00 WT4 H ATOM 49249 OH2 TIP3 3242 45.017 2.269 3.604 1.00 0.00 WT4 O ATOM 49250 H1 TIP3 3242 44.764 2.568 4.477 1.00 0.00 WT4 H ATOM 49251 H2 TIP3 3242 44.252 2.449 3.058 1.00 0.00 WT4 H ATOM 49252 OH2 TIP3 3244 62.468 85.335 44.522 1.00 0.00 WT4 O ATOM 49253 H1 TIP3 3244 63.052 84.631 44.804 1.00 0.00 WT4 H ATOM 49254 H2 TIP3 3244 62.323 85.858 45.310 1.00 0.00 WT4 H ATOM 49255 OH2 TIP3 3257 51.175 82.022 66.624 1.00 0.00 WT4 O ATOM 49256 H1 TIP3 3257 51.115 81.376 67.329 1.00 0.00 WT4 H ATOM 49257 H2 TIP3 3257 50.285 82.082 66.278 1.00 0.00 WT4 H ATOM 49258 OH2 TIP3 3258 77.505 91.499 43.169 1.00 0.00 WT4 O ATOM 49259 H1 TIP3 3258 76.606 91.760 42.967 1.00 0.00 WT4 H ATOM 49260 H2 TIP3 3258 77.956 92.321 43.361 1.00 0.00 WT4 H ATOM 49261 OH2 TIP3 3262 65.540 51.268 -7.946 1.00 0.00 WT4 O ATOM 49262 H1 TIP3 3262 65.335 50.865 -7.102 1.00 0.00 WT4 H ATOM 49263 H2 TIP3 3262 65.077 52.106 -7.930 1.00 0.00 WT4 H ATOM 49264 OH2 TIP3 3274 86.077 0.081 65.344 1.00 0.00 WT4 O ATOM 49265 H1 TIP3 3274 85.504 -0.663 65.531 1.00 0.00 WT4 H ATOM 49266 H2 TIP3 3274 85.524 0.850 65.481 1.00 0.00 WT4 H ATOM 49267 OH2 TIP3 3275 34.343 13.263 33.509 1.00 0.00 WT4 O ATOM 49268 H1 TIP3 3275 33.418 13.429 33.329 1.00 0.00 WT4 H ATOM 49269 H2 TIP3 3275 34.770 14.108 33.373 1.00 0.00 WT4 H ATOM 49270 OH2 TIP3 3280 42.421 28.753 39.636 1.00 0.00 WT4 O ATOM 49271 H1 TIP3 3280 41.578 29.163 39.832 1.00 0.00 WT4 H ATOM 49272 H2 TIP3 3280 42.969 29.471 39.319 1.00 0.00 WT4 H ATOM 49273 OH2 TIP3 3282 24.330 76.460 47.726 1.00 0.00 WT4 O ATOM 49274 H1 TIP3 3282 24.476 76.376 46.784 1.00 0.00 WT4 H ATOM 49275 H2 TIP3 3282 25.085 76.957 48.042 1.00 0.00 WT4 H ATOM 49276 OH2 TIP3 3296 73.202 88.460 15.332 1.00 0.00 WT4 O ATOM 49277 H1 TIP3 3296 73.516 87.585 15.102 1.00 0.00 WT4 H ATOM 49278 H2 TIP3 3296 72.464 88.303 15.921 1.00 0.00 WT4 H ATOM 49279 OH2 TIP3 3301 40.614 89.953 13.855 1.00 0.00 WT4 O ATOM 49280 H1 TIP3 3301 40.702 89.509 14.698 1.00 0.00 WT4 H ATOM 49281 H2 TIP3 3301 40.388 89.256 13.239 1.00 0.00 WT4 H ATOM 49282 OH2 TIP3 3302 66.453 26.301 -1.045 1.00 0.00 WT4 O ATOM 49283 H1 TIP3 3302 66.706 27.224 -1.030 1.00 0.00 WT4 H ATOM 49284 H2 TIP3 3302 65.952 26.202 -1.854 1.00 0.00 WT4 H ATOM 49285 OH2 TIP3 3303 43.616 89.041 -15.617 1.00 0.00 WT4 O ATOM 49286 H1 TIP3 3303 44.271 88.678 -15.021 1.00 0.00 WT4 H ATOM 49287 H2 TIP3 3303 43.317 88.291 -16.131 1.00 0.00 WT4 H ATOM 49288 OH2 TIP3 3304 84.425 91.047 21.933 1.00 0.00 WT4 O ATOM 49289 H1 TIP3 3304 84.098 90.640 21.132 1.00 0.00 WT4 H ATOM 49290 H2 TIP3 3304 85.143 90.480 22.215 1.00 0.00 WT4 H ATOM 49291 OH2 TIP3 3317 79.125 53.090 39.830 1.00 0.00 WT4 O ATOM 49292 H1 TIP3 3317 78.513 52.669 39.227 1.00 0.00 WT4 H ATOM 49293 H2 TIP3 3317 79.356 52.404 40.456 1.00 0.00 WT4 H ATOM 49294 OH2 TIP3 3347 61.099 77.291 3.298 1.00 0.00 WT4 O ATOM 49295 H1 TIP3 3347 61.971 76.894 3.311 1.00 0.00 WT4 H ATOM 49296 H2 TIP3 3347 60.615 76.828 3.982 1.00 0.00 WT4 H ATOM 49297 OH2 TIP3 3348 75.901 64.733 45.031 1.00 0.00 WT4 O ATOM 49298 H1 TIP3 3348 75.286 64.210 44.517 1.00 0.00 WT4 H ATOM 49299 H2 TIP3 3348 75.756 64.453 45.935 1.00 0.00 WT4 H ATOM 49300 OH2 TIP3 3367 36.394 58.178 63.458 1.00 0.00 WT4 O ATOM 49301 H1 TIP3 3367 35.658 57.766 63.911 1.00 0.00 WT4 H ATOM 49302 H2 TIP3 3367 37.072 57.502 63.436 1.00 0.00 WT4 H ATOM 49303 OH2 TIP3 3382 77.051 89.861 -19.200 1.00 0.00 WT4 O ATOM 49304 H1 TIP3 3382 77.005 90.152 -18.289 1.00 0.00 WT4 H ATOM 49305 H2 TIP3 3382 77.950 89.551 -19.308 1.00 0.00 WT4 H ATOM 49306 OH2 TIP3 3408 25.245 0.291 20.399 1.00 0.00 WT4 O ATOM 49307 H1 TIP3 3408 24.341 0.173 20.690 1.00 0.00 WT4 H ATOM 49308 H2 TIP3 3408 25.546 -0.591 20.183 1.00 0.00 WT4 H ATOM 49309 OH2 TIP3 3426 42.847 61.753 -7.802 1.00 0.00 WT4 O ATOM 49310 H1 TIP3 3426 43.489 62.461 -7.745 1.00 0.00 WT4 H ATOM 49311 H2 TIP3 3426 43.222 61.047 -7.276 1.00 0.00 WT4 H ATOM 49312 OH2 TIP3 3442 28.507 68.333 65.290 1.00 0.00 WT4 O ATOM 49313 H1 TIP3 3442 28.666 69.198 65.670 1.00 0.00 WT4 H ATOM 49314 H2 TIP3 3442 28.651 68.454 64.351 1.00 0.00 WT4 H ATOM 49315 OH2 TIP3 3447 59.201 77.073 -13.953 1.00 0.00 WT4 O ATOM 49316 H1 TIP3 3447 59.005 76.406 -13.295 1.00 0.00 WT4 H ATOM 49317 H2 TIP3 3447 60.117 77.302 -13.797 1.00 0.00 WT4 H ATOM 49318 OH2 TIP3 3484 75.053 84.822 -1.258 1.00 0.00 WT4 O ATOM 49319 H1 TIP3 3484 74.102 84.846 -1.153 1.00 0.00 WT4 H ATOM 49320 H2 TIP3 3484 75.330 84.048 -0.768 1.00 0.00 WT4 H ATOM 49321 OH2 TIP3 3511 66.805 3.642 -17.372 1.00 0.00 WT4 O ATOM 49322 H1 TIP3 3511 66.509 3.200 -16.577 1.00 0.00 WT4 H ATOM 49323 H2 TIP3 3511 67.214 2.952 -17.893 1.00 0.00 WT4 H ATOM 49324 OH2 TIP3 3513 53.312 4.662 49.353 1.00 0.00 WT4 O ATOM 49325 H1 TIP3 3513 53.441 4.365 48.452 1.00 0.00 WT4 H ATOM 49326 H2 TIP3 3513 52.362 4.694 49.461 1.00 0.00 WT4 H ATOM 49327 OH2 TIP3 3514 82.108 66.967 43.939 1.00 0.00 WT4 O ATOM 49328 H1 TIP3 3514 81.833 66.087 44.195 1.00 0.00 WT4 H ATOM 49329 H2 TIP3 3514 81.450 67.249 43.303 1.00 0.00 WT4 H ATOM 49330 OH2 TIP3 3526 26.200 51.826 -4.677 1.00 0.00 WT4 O ATOM 49331 H1 TIP3 3526 25.384 51.329 -4.618 1.00 0.00 WT4 H ATOM 49332 H2 TIP3 3526 26.638 51.667 -3.841 1.00 0.00 WT4 H ATOM 49333 OH2 TIP3 3527 42.289 68.724 -17.040 1.00 0.00 WT4 O ATOM 49334 H1 TIP3 3527 43.010 68.506 -17.631 1.00 0.00 WT4 H ATOM 49335 H2 TIP3 3527 41.536 68.851 -17.618 1.00 0.00 WT4 H ATOM 49336 OH2 TIP3 3533 42.582 2.072 34.582 1.00 0.00 WT4 O ATOM 49337 H1 TIP3 3533 42.895 2.233 33.692 1.00 0.00 WT4 H ATOM 49338 H2 TIP3 3533 43.336 2.262 35.140 1.00 0.00 WT4 H ATOM 49339 OH2 TIP3 3534 76.446 50.581 41.746 1.00 0.00 WT4 O ATOM 49340 H1 TIP3 3534 75.602 51.031 41.769 1.00 0.00 WT4 H ATOM 49341 H2 TIP3 3534 76.233 49.686 41.480 1.00 0.00 WT4 H ATOM 49342 OH2 TIP3 3545 21.313 57.896 66.504 1.00 0.00 WT4 O ATOM 49343 H1 TIP3 3545 21.024 57.780 67.409 1.00 0.00 WT4 H ATOM 49344 H2 TIP3 3545 20.502 57.944 65.998 1.00 0.00 WT4 H ATOM 49345 OH2 TIP3 3548 57.599 71.078 48.338 1.00 0.00 WT4 O ATOM 49346 H1 TIP3 3548 57.144 71.299 47.526 1.00 0.00 WT4 H ATOM 49347 H2 TIP3 3548 58.391 70.623 48.054 1.00 0.00 WT4 H ATOM 49348 OH2 TIP3 3554 61.580 49.792 32.588 1.00 0.00 WT4 O ATOM 49349 H1 TIP3 3554 62.209 49.814 31.867 1.00 0.00 WT4 H ATOM 49350 H2 TIP3 3554 60.753 49.542 32.178 1.00 0.00 WT4 H ATOM 49351 OH2 TIP3 3555 83.137 7.447 -8.547 1.00 0.00 WT4 O ATOM 49352 H1 TIP3 3555 82.547 7.476 -9.300 1.00 0.00 WT4 H ATOM 49353 H2 TIP3 3555 83.203 8.357 -8.258 1.00 0.00 WT4 H ATOM 49354 OH2 TIP3 3569 59.322 83.206 10.010 1.00 0.00 WT4 O ATOM 49355 H1 TIP3 3569 58.947 84.008 10.374 1.00 0.00 WT4 H ATOM 49356 H2 TIP3 3569 59.356 82.600 10.750 1.00 0.00 WT4 H ATOM 49357 OH2 TIP3 3573 43.161 60.887 50.789 1.00 0.00 WT4 O ATOM 49358 H1 TIP3 3573 43.783 60.321 50.332 1.00 0.00 WT4 H ATOM 49359 H2 TIP3 3573 43.567 61.753 50.771 1.00 0.00 WT4 H ATOM 49360 OH2 TIP3 3575 81.088 57.344 66.744 1.00 0.00 WT4 O ATOM 49361 H1 TIP3 3575 81.430 56.455 66.830 1.00 0.00 WT4 H ATOM 49362 H2 TIP3 3575 80.241 57.320 67.190 1.00 0.00 WT4 H ATOM 49363 OH2 TIP3 3593 32.219 82.999 -18.342 1.00 0.00 WT4 O ATOM 49364 H1 TIP3 3593 31.801 82.762 -19.170 1.00 0.00 WT4 H ATOM 49365 H2 TIP3 3593 33.061 83.376 -18.598 1.00 0.00 WT4 H ATOM 49366 OH2 TIP3 3595 37.163 63.958 8.310 1.00 0.00 WT4 O ATOM 49367 H1 TIP3 3595 38.040 63.857 7.940 1.00 0.00 WT4 H ATOM 49368 H2 TIP3 3595 37.228 63.581 9.188 1.00 0.00 WT4 H ATOM 49369 OH2 TIP3 3596 41.294 26.262 59.787 1.00 0.00 WT4 O ATOM 49370 H1 TIP3 3596 40.797 25.741 60.417 1.00 0.00 WT4 H ATOM 49371 H2 TIP3 3596 40.656 26.878 59.428 1.00 0.00 WT4 H ATOM 49372 OH2 TIP3 3597 47.800 4.208 -12.091 1.00 0.00 WT4 O ATOM 49373 H1 TIP3 3597 48.507 3.866 -12.638 1.00 0.00 WT4 H ATOM 49374 H2 TIP3 3597 47.620 5.078 -12.446 1.00 0.00 WT4 H ATOM 49375 OH2 TIP3 3599 89.823 74.803 -12.281 1.00 0.00 WT4 O ATOM 49376 H1 TIP3 3599 90.541 75.133 -11.740 1.00 0.00 WT4 H ATOM 49377 H2 TIP3 3599 89.776 73.870 -12.074 1.00 0.00 WT4 H ATOM 49378 OH2 TIP3 3614 70.581 3.396 66.666 1.00 0.00 WT4 O ATOM 49379 H1 TIP3 3614 70.154 3.126 67.479 1.00 0.00 WT4 H ATOM 49380 H2 TIP3 3614 70.145 2.884 65.984 1.00 0.00 WT4 H ATOM 49381 OH2 TIP3 3615 30.851 11.399 58.715 1.00 0.00 WT4 O ATOM 49382 H1 TIP3 3615 29.964 11.282 59.056 1.00 0.00 WT4 H ATOM 49383 H2 TIP3 3615 30.735 11.915 57.918 1.00 0.00 WT4 H ATOM 49384 OH2 TIP3 3623 44.535 1.640 27.639 1.00 0.00 WT4 O ATOM 49385 H1 TIP3 3623 43.709 1.775 27.175 1.00 0.00 WT4 H ATOM 49386 H2 TIP3 3623 44.547 0.704 27.839 1.00 0.00 WT4 H ATOM 49387 OH2 TIP3 3633 22.053 31.511 33.324 1.00 0.00 WT4 O ATOM 49388 H1 TIP3 3633 21.195 31.224 33.013 1.00 0.00 WT4 H ATOM 49389 H2 TIP3 3633 22.465 31.911 32.557 1.00 0.00 WT4 H ATOM 49390 OH2 TIP3 3634 70.381 8.789 45.730 1.00 0.00 WT4 O ATOM 49391 H1 TIP3 3634 70.266 7.892 46.044 1.00 0.00 WT4 H ATOM 49392 H2 TIP3 3634 71.327 8.883 45.617 1.00 0.00 WT4 H ATOM 49393 OH2 TIP3 3636 59.214 7.608 -6.377 1.00 0.00 WT4 O ATOM 49394 H1 TIP3 3636 59.588 6.821 -6.774 1.00 0.00 WT4 H ATOM 49395 H2 TIP3 3636 58.742 8.036 -7.091 1.00 0.00 WT4 H ATOM 49396 OH2 TIP3 3638 61.345 30.517 11.048 1.00 0.00 WT4 O ATOM 49397 H1 TIP3 3638 60.787 30.048 11.669 1.00 0.00 WT4 H ATOM 49398 H2 TIP3 3638 61.974 30.985 11.597 1.00 0.00 WT4 H ATOM 49399 OH2 TIP3 3639 45.890 81.538 62.133 1.00 0.00 WT4 O ATOM 49400 H1 TIP3 3639 45.693 81.912 61.274 1.00 0.00 WT4 H ATOM 49401 H2 TIP3 3639 46.749 81.130 62.026 1.00 0.00 WT4 H ATOM 49402 OH2 TIP3 3641 77.061 92.356 52.243 1.00 0.00 WT4 O ATOM 49403 H1 TIP3 3641 77.887 92.599 52.660 1.00 0.00 WT4 H ATOM 49404 H2 TIP3 3641 76.432 93.003 52.560 1.00 0.00 WT4 H ATOM 49405 OH2 TIP3 3650 71.051 63.456 62.912 1.00 0.00 WT4 O ATOM 49406 H1 TIP3 3650 71.511 62.666 62.630 1.00 0.00 WT4 H ATOM 49407 H2 TIP3 3650 70.153 63.335 62.603 1.00 0.00 WT4 H ATOM 49408 OH2 TIP3 3651 59.399 75.009 64.533 1.00 0.00 WT4 O ATOM 49409 H1 TIP3 3651 58.536 75.352 64.300 1.00 0.00 WT4 H ATOM 49410 H2 TIP3 3651 59.712 74.584 63.735 1.00 0.00 WT4 H ATOM 49411 OH2 TIP3 3653 29.381 36.817 39.918 1.00 0.00 WT4 O ATOM 49412 H1 TIP3 3653 29.502 37.222 39.059 1.00 0.00 WT4 H ATOM 49413 H2 TIP3 3653 29.817 37.412 40.527 1.00 0.00 WT4 H ATOM 49414 OH2 TIP3 3660 80.167 58.938 29.607 1.00 0.00 WT4 O ATOM 49415 H1 TIP3 3660 79.543 59.379 29.031 1.00 0.00 WT4 H ATOM 49416 H2 TIP3 3660 79.621 58.466 30.236 1.00 0.00 WT4 H ATOM 49417 OH2 TIP3 3661 73.498 31.240 1.634 1.00 0.00 WT4 O ATOM 49418 H1 TIP3 3661 72.673 31.642 1.903 1.00 0.00 WT4 H ATOM 49419 H2 TIP3 3661 73.238 30.440 1.176 1.00 0.00 WT4 H ATOM 49420 OH2 TIP3 3662 55.552 67.595 56.278 1.00 0.00 WT4 O ATOM 49421 H1 TIP3 3662 55.764 66.725 56.616 1.00 0.00 WT4 H ATOM 49422 H2 TIP3 3662 54.982 67.429 55.527 1.00 0.00 WT4 H ATOM 49423 OH2 TIP3 3674 57.423 81.668 60.714 1.00 0.00 WT4 O ATOM 49424 H1 TIP3 3674 57.558 80.720 60.720 1.00 0.00 WT4 H ATOM 49425 H2 TIP3 3674 57.157 81.866 59.816 1.00 0.00 WT4 H ATOM 49426 OH2 TIP3 3675 25.255 3.369 45.417 1.00 0.00 WT4 O ATOM 49427 H1 TIP3 3675 24.572 2.866 45.862 1.00 0.00 WT4 H ATOM 49428 H2 TIP3 3675 25.726 3.811 46.122 1.00 0.00 WT4 H ATOM 49429 OH2 TIP3 3693 56.138 2.238 47.567 1.00 0.00 WT4 O ATOM 49430 H1 TIP3 3693 56.741 1.738 48.118 1.00 0.00 WT4 H ATOM 49431 H2 TIP3 3693 56.221 1.840 46.700 1.00 0.00 WT4 H ATOM 49432 OH2 TIP3 3697 80.122 69.415 15.357 1.00 0.00 WT4 O ATOM 49433 H1 TIP3 3697 79.229 69.666 15.120 1.00 0.00 WT4 H ATOM 49434 H2 TIP3 3697 80.484 69.031 14.558 1.00 0.00 WT4 H ATOM 49435 OH2 TIP3 3700 89.935 66.715 30.557 1.00 0.00 WT4 O ATOM 49436 H1 TIP3 3700 89.081 66.406 30.861 1.00 0.00 WT4 H ATOM 49437 H2 TIP3 3700 89.778 67.009 29.660 1.00 0.00 WT4 H ATOM 49438 OH2 TIP3 3701 64.752 79.667 32.288 1.00 0.00 WT4 O ATOM 49439 H1 TIP3 3701 64.407 78.853 31.921 1.00 0.00 WT4 H ATOM 49440 H2 TIP3 3701 63.974 80.163 32.544 1.00 0.00 WT4 H ATOM 49441 OH2 TIP3 3703 52.803 74.238 -4.347 1.00 0.00 WT4 O ATOM 49442 H1 TIP3 3703 52.695 73.295 -4.223 1.00 0.00 WT4 H ATOM 49443 H2 TIP3 3703 53.734 74.350 -4.540 1.00 0.00 WT4 H ATOM 49444 OH2 TIP3 3708 40.725 90.946 -11.683 1.00 0.00 WT4 O ATOM 49445 H1 TIP3 3708 41.359 90.279 -11.419 1.00 0.00 WT4 H ATOM 49446 H2 TIP3 3708 41.260 91.679 -11.988 1.00 0.00 WT4 H ATOM 49447 OH2 TIP3 3718 29.260 96.124 23.110 1.00 0.00 WT4 O ATOM 49448 H1 TIP3 3718 30.143 96.476 22.996 1.00 0.00 WT4 H ATOM 49449 H2 TIP3 3718 29.387 95.312 23.602 1.00 0.00 WT4 H ATOM 49450 OH2 TIP3 3720 47.122 24.592 -16.489 1.00 0.00 WT4 O ATOM 49451 H1 TIP3 3720 48.079 24.634 -16.471 1.00 0.00 WT4 H ATOM 49452 H2 TIP3 3720 46.839 25.474 -16.248 1.00 0.00 WT4 H ATOM 49453 OH2 TIP3 3721 53.589 92.537 2.756 1.00 0.00 WT4 O ATOM 49454 H1 TIP3 3721 52.740 92.818 3.096 1.00 0.00 WT4 H ATOM 49455 H2 TIP3 3721 53.760 91.704 3.195 1.00 0.00 WT4 H ATOM 49456 OH2 TIP3 3722 80.963 82.773 16.252 1.00 0.00 WT4 O ATOM 49457 H1 TIP3 3722 80.629 82.198 16.941 1.00 0.00 WT4 H ATOM 49458 H2 TIP3 3722 81.486 83.425 16.717 1.00 0.00 WT4 H ATOM 49459 OH2 TIP3 3723 59.728 11.064 60.450 1.00 0.00 WT4 O ATOM 49460 H1 TIP3 3723 58.923 10.547 60.503 1.00 0.00 WT4 H ATOM 49461 H2 TIP3 3723 60.428 10.413 60.403 1.00 0.00 WT4 H ATOM 49462 OH2 TIP3 3727 83.482 74.832 49.964 1.00 0.00 WT4 O ATOM 49463 H1 TIP3 3727 83.294 75.651 50.422 1.00 0.00 WT4 H ATOM 49464 H2 TIP3 3727 82.724 74.695 49.396 1.00 0.00 WT4 H ATOM 49465 OH2 TIP3 3740 73.906 85.171 3.132 1.00 0.00 WT4 O ATOM 49466 H1 TIP3 3740 73.372 85.492 3.859 1.00 0.00 WT4 H ATOM 49467 H2 TIP3 3740 73.322 84.590 2.645 1.00 0.00 WT4 H ATOM 49468 OH2 TIP3 3757 45.759 1.787 43.539 1.00 0.00 WT4 O ATOM 49469 H1 TIP3 3757 46.037 0.877 43.439 1.00 0.00 WT4 H ATOM 49470 H2 TIP3 3757 44.825 1.778 43.329 1.00 0.00 WT4 H ATOM 49471 OH2 TIP3 3821 47.629 71.053 -10.317 1.00 0.00 WT4 O ATOM 49472 H1 TIP3 3821 46.690 70.891 -10.414 1.00 0.00 WT4 H ATOM 49473 H2 TIP3 3821 48.015 70.720 -11.127 1.00 0.00 WT4 H ATOM 49474 OH2 TIP3 3829 36.149 40.870 23.237 1.00 0.00 WT4 O ATOM 49475 H1 TIP3 3829 36.620 41.667 23.479 1.00 0.00 WT4 H ATOM 49476 H2 TIP3 3829 35.679 41.103 22.436 1.00 0.00 WT4 H ATOM 49477 OH2 TIP3 3925 43.317 59.110 4.550 1.00 0.00 WT4 O ATOM 49478 H1 TIP3 3925 43.862 59.757 4.997 1.00 0.00 WT4 H ATOM 49479 H2 TIP3 3925 43.693 58.266 4.800 1.00 0.00 WT4 H ATOM 49480 OH2 TIP3 3931 47.875 17.671 33.809 1.00 0.00 WT4 O ATOM 49481 H1 TIP3 3931 47.838 16.732 33.990 1.00 0.00 WT4 H ATOM 49482 H2 TIP3 3931 47.068 17.855 33.329 1.00 0.00 WT4 H ATOM 49483 OH2 TIP3 3933 87.996 18.615 60.952 1.00 0.00 WT4 O ATOM 49484 H1 TIP3 3933 88.797 18.140 61.171 1.00 0.00 WT4 H ATOM 49485 H2 TIP3 3933 88.301 19.461 60.624 1.00 0.00 WT4 H ATOM 49486 OH2 TIP3 3951 79.641 54.248 -13.970 1.00 0.00 WT4 O ATOM 49487 H1 TIP3 3951 78.692 54.142 -14.045 1.00 0.00 WT4 H ATOM 49488 H2 TIP3 3951 79.858 53.868 -13.119 1.00 0.00 WT4 H ATOM 49489 OH2 TIP3 3973 62.510 70.813 -9.355 1.00 0.00 WT4 O ATOM 49490 H1 TIP3 3973 62.137 71.368 -8.670 1.00 0.00 WT4 H ATOM 49491 H2 TIP3 3973 63.316 71.259 -9.614 1.00 0.00 WT4 H ATOM 49492 OH2 TIP3 3974 61.836 8.326 33.780 1.00 0.00 WT4 O ATOM 49493 H1 TIP3 3974 62.433 8.155 34.508 1.00 0.00 WT4 H ATOM 49494 H2 TIP3 3974 61.030 7.867 34.018 1.00 0.00 WT4 H ATOM 49495 OH2 TIP3 3975 27.153 82.580 34.940 1.00 0.00 WT4 O ATOM 49496 H1 TIP3 3975 26.829 82.498 34.043 1.00 0.00 WT4 H ATOM 49497 H2 TIP3 3975 27.449 81.700 35.170 1.00 0.00 WT4 H ATOM 49498 OH2 TIP3 3976 65.136 73.953 44.390 1.00 0.00 WT4 O ATOM 49499 H1 TIP3 3976 64.950 74.206 43.486 1.00 0.00 WT4 H ATOM 49500 H2 TIP3 3976 65.914 74.458 44.626 1.00 0.00 WT4 H ATOM 49501 OH2 TIP3 3977 29.643 64.853 43.599 1.00 0.00 WT4 O ATOM 49502 H1 TIP3 3977 30.159 65.656 43.670 1.00 0.00 WT4 H ATOM 49503 H2 TIP3 3977 29.398 64.806 42.675 1.00 0.00 WT4 H ATOM 49504 OH2 TIP3 3991 61.068 77.771 53.677 1.00 0.00 WT4 O ATOM 49505 H1 TIP3 3991 60.915 77.657 52.739 1.00 0.00 WT4 H ATOM 49506 H2 TIP3 3991 60.890 78.697 53.839 1.00 0.00 WT4 H ATOM 49507 OH2 TIP3 3992 84.321 85.532 -8.315 1.00 0.00 WT4 O ATOM 49508 H1 TIP3 3992 83.968 86.094 -7.626 1.00 0.00 WT4 H ATOM 49509 H2 TIP3 3992 85.258 85.729 -8.330 1.00 0.00 WT4 H ATOM 49510 OH2 TIP3 3993 58.576 84.019 13.650 1.00 0.00 WT4 O ATOM 49511 H1 TIP3 3993 59.065 83.221 13.850 1.00 0.00 WT4 H ATOM 49512 H2 TIP3 3993 57.814 83.716 13.157 1.00 0.00 WT4 H ATOM 49513 OH2 TIP3 3995 70.653 61.967 -9.156 1.00 0.00 WT4 O ATOM 49514 H1 TIP3 3995 71.107 61.946 -8.313 1.00 0.00 WT4 H ATOM 49515 H2 TIP3 3995 69.832 62.425 -8.975 1.00 0.00 WT4 H ATOM 49516 OH2 TIP3 4009 33.697 88.503 4.497 1.00 0.00 WT4 O ATOM 49517 H1 TIP3 4009 33.574 87.674 4.959 1.00 0.00 WT4 H ATOM 49518 H2 TIP3 4009 33.424 89.171 5.125 1.00 0.00 WT4 H ATOM 49519 OH2 TIP3 4010 55.551 95.175 28.317 1.00 0.00 WT4 O ATOM 49520 H1 TIP3 4010 55.740 95.871 27.687 1.00 0.00 WT4 H ATOM 49521 H2 TIP3 4010 56.339 95.120 28.857 1.00 0.00 WT4 H ATOM 49522 OH2 TIP3 4012 90.492 64.527 56.745 1.00 0.00 WT4 O ATOM 49523 H1 TIP3 4012 90.024 64.892 55.994 1.00 0.00 WT4 H ATOM 49524 H2 TIP3 4012 91.321 65.005 56.767 1.00 0.00 WT4 H ATOM 49525 OH2 TIP3 4014 47.174 67.826 -4.760 1.00 0.00 WT4 O ATOM 49526 H1 TIP3 4014 47.147 67.152 -4.082 1.00 0.00 WT4 H ATOM 49527 H2 TIP3 4014 47.012 68.645 -4.292 1.00 0.00 WT4 H ATOM 49528 OH2 TIP3 4015 61.387 78.461 46.855 1.00 0.00 WT4 O ATOM 49529 H1 TIP3 4015 60.897 77.650 46.996 1.00 0.00 WT4 H ATOM 49530 H2 TIP3 4015 61.156 78.730 45.966 1.00 0.00 WT4 H ATOM 49531 OH2 TIP3 4016 60.721 18.851 28.759 1.00 0.00 WT4 O ATOM 49532 H1 TIP3 4016 61.428 19.232 28.239 1.00 0.00 WT4 H ATOM 49533 H2 TIP3 4016 61.158 18.226 29.337 1.00 0.00 WT4 H ATOM 49534 OH2 TIP3 4017 30.959 73.815 37.525 1.00 0.00 WT4 O ATOM 49535 H1 TIP3 4017 31.662 74.378 37.202 1.00 0.00 WT4 H ATOM 49536 H2 TIP3 4017 31.332 72.934 37.515 1.00 0.00 WT4 H ATOM 49537 OH2 TIP3 4021 76.291 61.953 -7.456 1.00 0.00 WT4 O ATOM 49538 H1 TIP3 4021 75.885 61.185 -7.053 1.00 0.00 WT4 H ATOM 49539 H2 TIP3 4021 77.104 62.079 -6.967 1.00 0.00 WT4 H ATOM 49540 OH2 TIP3 4022 79.728 11.858 52.332 1.00 0.00 WT4 O ATOM 49541 H1 TIP3 4022 80.367 11.162 52.178 1.00 0.00 WT4 H ATOM 49542 H2 TIP3 4022 78.952 11.584 51.843 1.00 0.00 WT4 H ATOM 49543 OH2 TIP3 4030 42.726 11.035 12.559 1.00 0.00 WT4 O ATOM 49544 H1 TIP3 4030 42.857 10.683 13.439 1.00 0.00 WT4 H ATOM 49545 H2 TIP3 4030 42.844 10.282 11.979 1.00 0.00 WT4 H ATOM 49546 OH2 TIP3 4035 76.649 73.222 -4.024 1.00 0.00 WT4 O ATOM 49547 H1 TIP3 4035 76.636 72.534 -3.359 1.00 0.00 WT4 H ATOM 49548 H2 TIP3 4035 77.531 73.185 -4.392 1.00 0.00 WT4 H ATOM 49549 OH2 TIP3 4036 38.472 3.910 52.465 1.00 0.00 WT4 O ATOM 49550 H1 TIP3 4036 39.089 3.453 51.893 1.00 0.00 WT4 H ATOM 49551 H2 TIP3 4036 38.606 3.515 53.326 1.00 0.00 WT4 H ATOM 49552 OH2 TIP3 4040 84.885 35.598 57.510 1.00 0.00 WT4 O ATOM 49553 H1 TIP3 4040 83.995 35.290 57.338 1.00 0.00 WT4 H ATOM 49554 H2 TIP3 4040 85.444 34.852 57.291 1.00 0.00 WT4 H ATOM 49555 OH2 TIP3 4053 21.885 69.377 -20.032 1.00 0.00 WT4 O ATOM 49556 H1 TIP3 4053 22.504 68.709 -19.736 1.00 0.00 WT4 H ATOM 49557 H2 TIP3 4053 22.184 70.184 -19.613 1.00 0.00 WT4 H ATOM 49558 OH2 TIP3 4054 25.286 83.182 -17.908 1.00 0.00 WT4 O ATOM 49559 H1 TIP3 4054 24.412 82.901 -18.180 1.00 0.00 WT4 H ATOM 49560 H2 TIP3 4054 25.881 82.724 -18.502 1.00 0.00 WT4 H ATOM 49561 OH2 TIP3 4055 87.364 93.144 61.541 1.00 0.00 WT4 O ATOM 49562 H1 TIP3 4055 87.788 92.909 60.715 1.00 0.00 WT4 H ATOM 49563 H2 TIP3 4055 87.053 94.039 61.404 1.00 0.00 WT4 H ATOM 49564 OH2 TIP3 4056 69.600 47.921 -2.810 1.00 0.00 WT4 O ATOM 49565 H1 TIP3 4056 69.371 47.049 -3.134 1.00 0.00 WT4 H ATOM 49566 H2 TIP3 4056 69.832 47.782 -1.892 1.00 0.00 WT4 H ATOM 49567 OH2 TIP3 4057 67.534 79.227 4.246 1.00 0.00 WT4 O ATOM 49568 H1 TIP3 4057 67.289 78.986 5.140 1.00 0.00 WT4 H ATOM 49569 H2 TIP3 4057 66.842 78.855 3.699 1.00 0.00 WT4 H ATOM 49570 OH2 TIP3 4058 64.975 9.691 50.170 1.00 0.00 WT4 O ATOM 49571 H1 TIP3 4058 64.083 9.959 49.946 1.00 0.00 WT4 H ATOM 49572 H2 TIP3 4058 65.105 8.870 49.696 1.00 0.00 WT4 H ATOM 49573 OH2 TIP3 4059 59.125 8.407 34.233 1.00 0.00 WT4 O ATOM 49574 H1 TIP3 4059 58.573 8.040 34.923 1.00 0.00 WT4 H ATOM 49575 H2 TIP3 4059 58.693 8.151 33.418 1.00 0.00 WT4 H ATOM 49576 OH2 TIP3 4060 60.111 81.580 64.351 1.00 0.00 WT4 O ATOM 49577 H1 TIP3 4060 60.869 81.898 64.841 1.00 0.00 WT4 H ATOM 49578 H2 TIP3 4060 60.183 80.626 64.390 1.00 0.00 WT4 H ATOM 49579 OH2 TIP3 4064 58.094 62.578 35.436 1.00 0.00 WT4 O ATOM 49580 H1 TIP3 4064 57.969 62.771 34.507 1.00 0.00 WT4 H ATOM 49581 H2 TIP3 4064 57.453 61.893 35.627 1.00 0.00 WT4 H ATOM 49582 OH2 TIP3 4072 30.173 74.119 21.051 1.00 0.00 WT4 O ATOM 49583 H1 TIP3 4072 29.581 74.206 21.798 1.00 0.00 WT4 H ATOM 49584 H2 TIP3 4072 30.802 73.450 21.320 1.00 0.00 WT4 H ATOM 49585 OH2 TIP3 4074 70.709 54.949 -19.540 1.00 0.00 WT4 O ATOM 49586 H1 TIP3 4074 70.294 54.855 -20.398 1.00 0.00 WT4 H ATOM 49587 H2 TIP3 4074 70.005 54.783 -18.913 1.00 0.00 WT4 H ATOM 49588 OH2 TIP3 4076 28.683 90.873 48.577 1.00 0.00 WT4 O ATOM 49589 H1 TIP3 4076 29.417 90.286 48.754 1.00 0.00 WT4 H ATOM 49590 H2 TIP3 4076 29.034 91.516 47.960 1.00 0.00 WT4 H ATOM 49591 OH2 TIP3 4077 72.183 38.620 41.663 1.00 0.00 WT4 O ATOM 49592 H1 TIP3 4077 72.559 39.403 42.063 1.00 0.00 WT4 H ATOM 49593 H2 TIP3 4077 72.657 38.521 40.837 1.00 0.00 WT4 H ATOM 49594 OH2 TIP3 4078 62.046 68.970 -14.184 1.00 0.00 WT4 O ATOM 49595 H1 TIP3 4078 62.216 68.835 -13.252 1.00 0.00 WT4 H ATOM 49596 H2 TIP3 4078 61.841 69.902 -14.258 1.00 0.00 WT4 H ATOM 49597 OH2 TIP3 4083 62.036 29.415 43.382 1.00 0.00 WT4 O ATOM 49598 H1 TIP3 4083 61.263 29.627 42.858 1.00 0.00 WT4 H ATOM 49599 H2 TIP3 4083 61.685 29.144 44.230 1.00 0.00 WT4 H ATOM 49600 OH2 TIP3 4093 26.234 39.195 56.521 1.00 0.00 WT4 O ATOM 49601 H1 TIP3 4093 25.873 39.661 57.275 1.00 0.00 WT4 H ATOM 49602 H2 TIP3 4093 25.820 38.333 56.550 1.00 0.00 WT4 H ATOM 49603 OH2 TIP3 4097 60.509 18.106 31.615 1.00 0.00 WT4 O ATOM 49604 H1 TIP3 4097 59.805 18.721 31.407 1.00 0.00 WT4 H ATOM 49605 H2 TIP3 4097 61.312 18.617 31.511 1.00 0.00 WT4 H ATOM 49606 OH2 TIP3 4098 65.428 71.221 41.460 1.00 0.00 WT4 O ATOM 49607 H1 TIP3 4098 64.936 70.904 40.702 1.00 0.00 WT4 H ATOM 49608 H2 TIP3 4098 66.344 71.050 41.239 1.00 0.00 WT4 H ATOM 49609 OH2 TIP3 4099 79.212 83.749 60.738 1.00 0.00 WT4 O ATOM 49610 H1 TIP3 4099 79.782 83.086 60.347 1.00 0.00 WT4 H ATOM 49611 H2 TIP3 4099 78.325 83.444 60.549 1.00 0.00 WT4 H ATOM 49612 OH2 TIP3 4101 21.304 40.085 40.335 1.00 0.00 WT4 O ATOM 49613 H1 TIP3 4101 20.402 39.905 40.598 1.00 0.00 WT4 H ATOM 49614 H2 TIP3 4101 21.334 41.035 40.217 1.00 0.00 WT4 H ATOM 49615 OH2 TIP3 4104 24.757 68.413 47.500 1.00 0.00 WT4 O ATOM 49616 H1 TIP3 4104 25.441 68.920 47.062 1.00 0.00 WT4 H ATOM 49617 H2 TIP3 4104 25.149 67.550 47.638 1.00 0.00 WT4 H ATOM 49618 OH2 TIP3 4116 31.385 87.457 16.463 1.00 0.00 WT4 O ATOM 49619 H1 TIP3 4116 31.384 86.648 16.974 1.00 0.00 WT4 H ATOM 49620 H2 TIP3 4116 32.093 87.979 16.841 1.00 0.00 WT4 H ATOM 49621 OH2 TIP3 4120 64.303 28.660 4.809 1.00 0.00 WT4 O ATOM 49622 H1 TIP3 4120 64.733 29.514 4.833 1.00 0.00 WT4 H ATOM 49623 H2 TIP3 4120 64.108 28.463 5.725 1.00 0.00 WT4 H ATOM 49624 OH2 TIP3 4121 45.763 91.017 30.991 1.00 0.00 WT4 O ATOM 49625 H1 TIP3 4121 44.911 90.600 30.867 1.00 0.00 WT4 H ATOM 49626 H2 TIP3 4121 45.599 91.949 30.844 1.00 0.00 WT4 H ATOM 49627 OH2 TIP3 4123 72.357 89.930 41.699 1.00 0.00 WT4 O ATOM 49628 H1 TIP3 4123 72.223 88.984 41.762 1.00 0.00 WT4 H ATOM 49629 H2 TIP3 4123 72.348 90.234 42.606 1.00 0.00 WT4 H ATOM 49630 OH2 TIP3 4138 78.511 90.486 60.488 1.00 0.00 WT4 O ATOM 49631 H1 TIP3 4138 78.079 89.714 60.123 1.00 0.00 WT4 H ATOM 49632 H2 TIP3 4138 79.423 90.218 60.604 1.00 0.00 WT4 H ATOM 49633 OH2 TIP3 4139 82.022 83.956 26.011 1.00 0.00 WT4 O ATOM 49634 H1 TIP3 4139 81.282 83.398 26.252 1.00 0.00 WT4 H ATOM 49635 H2 TIP3 4139 82.752 83.625 26.535 1.00 0.00 WT4 H ATOM 49636 OH2 TIP3 4141 48.459 93.678 52.309 1.00 0.00 WT4 O ATOM 49637 H1 TIP3 4141 48.970 94.158 51.657 1.00 0.00 WT4 H ATOM 49638 H2 TIP3 4141 49.097 93.118 52.750 1.00 0.00 WT4 H ATOM 49639 OH2 TIP3 4142 39.574 32.562 45.549 1.00 0.00 WT4 O ATOM 49640 H1 TIP3 4142 39.822 32.775 46.449 1.00 0.00 WT4 H ATOM 49641 H2 TIP3 4142 40.376 32.219 45.154 1.00 0.00 WT4 H ATOM 49642 OH2 TIP3 4143 29.453 72.938 49.366 1.00 0.00 WT4 O ATOM 49643 H1 TIP3 4143 30.271 72.462 49.511 1.00 0.00 WT4 H ATOM 49644 H2 TIP3 4143 29.657 73.842 49.606 1.00 0.00 WT4 H ATOM 49645 OH2 TIP3 4157 77.470 1.533 -11.289 1.00 0.00 WT4 O ATOM 49646 H1 TIP3 4157 76.623 1.903 -11.537 1.00 0.00 WT4 H ATOM 49647 H2 TIP3 4157 77.252 0.795 -10.720 1.00 0.00 WT4 H ATOM 49648 OH2 TIP3 4161 73.596 20.067 48.027 1.00 0.00 WT4 O ATOM 49649 H1 TIP3 4161 73.173 19.940 47.177 1.00 0.00 WT4 H ATOM 49650 H2 TIP3 4161 72.886 19.986 48.663 1.00 0.00 WT4 H ATOM 49651 OH2 TIP3 4165 24.085 67.784 -18.886 1.00 0.00 WT4 O ATOM 49652 H1 TIP3 4165 24.944 67.512 -18.564 1.00 0.00 WT4 H ATOM 49653 H2 TIP3 4165 24.261 68.570 -19.404 1.00 0.00 WT4 H ATOM 49654 OH2 TIP3 4179 75.529 76.287 -10.109 1.00 0.00 WT4 O ATOM 49655 H1 TIP3 4179 74.602 76.113 -10.274 1.00 0.00 WT4 H ATOM 49656 H2 TIP3 4179 75.530 76.911 -9.383 1.00 0.00 WT4 H ATOM 49657 OH2 TIP3 4184 84.982 89.278 66.351 1.00 0.00 WT4 O ATOM 49658 H1 TIP3 4184 85.790 89.439 65.864 1.00 0.00 WT4 H ATOM 49659 H2 TIP3 4184 84.715 88.397 66.090 1.00 0.00 WT4 H ATOM 49660 OH2 TIP3 4186 60.490 33.672 47.743 1.00 0.00 WT4 O ATOM 49661 H1 TIP3 4186 60.079 33.984 48.548 1.00 0.00 WT4 H ATOM 49662 H2 TIP3 4186 59.979 34.074 47.040 1.00 0.00 WT4 H ATOM 49663 OH2 TIP3 4201 90.473 25.172 -8.788 1.00 0.00 WT4 O ATOM 49664 H1 TIP3 4201 91.394 25.172 -8.525 1.00 0.00 WT4 H ATOM 49665 H2 TIP3 4201 90.090 25.914 -8.319 1.00 0.00 WT4 H ATOM 49666 OH2 TIP3 4202 54.080 88.790 43.570 1.00 0.00 WT4 O ATOM 49667 H1 TIP3 4202 54.221 89.535 42.986 1.00 0.00 WT4 H ATOM 49668 H2 TIP3 4202 54.043 88.032 42.986 1.00 0.00 WT4 H ATOM 49669 OH2 TIP3 4243 37.532 7.668 49.569 1.00 0.00 WT4 O ATOM 49670 H1 TIP3 4243 38.202 7.133 49.996 1.00 0.00 WT4 H ATOM 49671 H2 TIP3 4243 37.251 7.146 48.818 1.00 0.00 WT4 H ATOM 49672 OH2 TIP3 4356 46.538 85.337 -10.628 1.00 0.00 WT4 O ATOM 49673 H1 TIP3 4356 46.033 84.597 -10.967 1.00 0.00 WT4 H ATOM 49674 H2 TIP3 4356 46.121 86.108 -11.013 1.00 0.00 WT4 H ATOM 49675 OH2 TIP3 4374 27.688 67.422 38.967 1.00 0.00 WT4 O ATOM 49676 H1 TIP3 4374 27.144 66.961 38.329 1.00 0.00 WT4 H ATOM 49677 H2 TIP3 4374 28.111 68.118 38.465 1.00 0.00 WT4 H ATOM 49678 OH2 TIP3 4394 61.409 32.348 64.753 1.00 0.00 WT4 O ATOM 49679 H1 TIP3 4394 60.551 32.772 64.792 1.00 0.00 WT4 H ATOM 49680 H2 TIP3 4394 62.010 33.047 64.493 1.00 0.00 WT4 H ATOM 49681 OH2 TIP3 4414 30.424 89.321 53.601 1.00 0.00 WT4 O ATOM 49682 H1 TIP3 4414 30.003 89.408 54.457 1.00 0.00 WT4 H ATOM 49683 H2 TIP3 4414 31.239 89.817 53.683 1.00 0.00 WT4 H ATOM 49684 OH2 TIP3 4417 90.366 93.588 43.651 1.00 0.00 WT4 O ATOM 49685 H1 TIP3 4417 90.242 92.671 43.408 1.00 0.00 WT4 H ATOM 49686 H2 TIP3 4417 90.972 93.931 42.994 1.00 0.00 WT4 H ATOM 49687 OH2 TIP3 4419 71.788 43.645 7.911 1.00 0.00 WT4 O ATOM 49688 H1 TIP3 4419 71.070 43.313 7.372 1.00 0.00 WT4 H ATOM 49689 H2 TIP3 4419 71.461 44.472 8.264 1.00 0.00 WT4 H ATOM 49690 OH2 TIP3 4432 87.241 95.820 -10.092 1.00 0.00 WT4 O ATOM 49691 H1 TIP3 4432 87.463 94.914 -10.308 1.00 0.00 WT4 H ATOM 49692 H2 TIP3 4432 87.747 96.008 -9.301 1.00 0.00 WT4 H ATOM 49693 OH2 TIP3 4434 44.325 77.864 49.118 1.00 0.00 WT4 O ATOM 49694 H1 TIP3 4434 45.240 77.656 49.309 1.00 0.00 WT4 H ATOM 49695 H2 TIP3 4434 44.160 78.679 49.592 1.00 0.00 WT4 H ATOM 49696 OH2 TIP3 4437 86.049 75.834 25.815 1.00 0.00 WT4 O ATOM 49697 H1 TIP3 4437 85.191 76.223 25.646 1.00 0.00 WT4 H ATOM 49698 H2 TIP3 4437 86.124 75.825 26.769 1.00 0.00 WT4 H ATOM 49699 OH2 TIP3 4438 41.811 23.040 -9.571 1.00 0.00 WT4 O ATOM 49700 H1 TIP3 4438 41.760 23.487 -10.415 1.00 0.00 WT4 H ATOM 49701 H2 TIP3 4438 40.944 22.652 -9.452 1.00 0.00 WT4 H ATOM 49702 OH2 TIP3 4453 71.237 72.622 -16.338 1.00 0.00 WT4 O ATOM 49703 H1 TIP3 4453 71.284 71.889 -15.723 1.00 0.00 WT4 H ATOM 49704 H2 TIP3 4453 71.151 72.209 -17.197 1.00 0.00 WT4 H ATOM 49705 OH2 TIP3 4455 71.782 75.731 57.741 1.00 0.00 WT4 O ATOM 49706 H1 TIP3 4455 72.725 75.638 57.602 1.00 0.00 WT4 H ATOM 49707 H2 TIP3 4455 71.499 76.341 57.059 1.00 0.00 WT4 H ATOM 49708 OH2 TIP3 4457 68.127 6.539 66.784 1.00 0.00 WT4 O ATOM 49709 H1 TIP3 4457 69.000 6.218 67.009 1.00 0.00 WT4 H ATOM 49710 H2 TIP3 4457 67.565 5.766 66.840 1.00 0.00 WT4 H ATOM 49711 OH2 TIP3 4461 68.293 43.417 -18.008 1.00 0.00 WT4 O ATOM 49712 H1 TIP3 4461 68.180 43.993 -18.765 1.00 0.00 WT4 H ATOM 49713 H2 TIP3 4461 68.994 43.824 -17.499 1.00 0.00 WT4 H ATOM 49714 OH2 TIP3 4473 29.401 86.881 28.290 1.00 0.00 WT4 O ATOM 49715 H1 TIP3 4473 29.993 86.369 28.841 1.00 0.00 WT4 H ATOM 49716 H2 TIP3 4473 29.566 87.790 28.540 1.00 0.00 WT4 H ATOM 49717 OH2 TIP3 4477 25.784 80.876 54.618 1.00 0.00 WT4 O ATOM 49718 H1 TIP3 4477 25.779 80.361 55.425 1.00 0.00 WT4 H ATOM 49719 H2 TIP3 4477 24.858 81.009 54.412 1.00 0.00 WT4 H ATOM 49720 OH2 TIP3 4478 42.226 11.058 58.305 1.00 0.00 WT4 O ATOM 49721 H1 TIP3 4478 42.228 10.285 58.869 1.00 0.00 WT4 H ATOM 49722 H2 TIP3 4478 41.300 11.276 58.199 1.00 0.00 WT4 H ATOM 49723 OH2 TIP3 4479 64.481 73.078 -13.706 1.00 0.00 WT4 O ATOM 49724 H1 TIP3 4479 63.805 72.694 -13.148 1.00 0.00 WT4 H ATOM 49725 H2 TIP3 4479 65.201 72.448 -13.680 1.00 0.00 WT4 H ATOM 49726 OH2 TIP3 4480 49.146 79.465 -1.603 1.00 0.00 WT4 O ATOM 49727 H1 TIP3 4480 48.872 78.685 -2.087 1.00 0.00 WT4 H ATOM 49728 H2 TIP3 4480 49.003 79.239 -0.684 1.00 0.00 WT4 H ATOM 49729 OH2 TIP3 4496 57.638 78.861 5.337 1.00 0.00 WT4 O ATOM 49730 H1 TIP3 4496 56.729 78.563 5.363 1.00 0.00 WT4 H ATOM 49731 H2 TIP3 4496 57.980 78.665 6.209 1.00 0.00 WT4 H ATOM 49732 OH2 TIP3 4499 31.390 57.192 13.403 1.00 0.00 WT4 O ATOM 49733 H1 TIP3 4499 31.888 56.510 12.954 1.00 0.00 WT4 H ATOM 49734 H2 TIP3 4499 30.490 57.070 13.101 1.00 0.00 WT4 H ATOM 49735 OH2 TIP3 4500 47.911 6.536 24.299 1.00 0.00 WT4 O ATOM 49736 H1 TIP3 4500 47.214 5.939 24.571 1.00 0.00 WT4 H ATOM 49737 H2 TIP3 4500 48.271 6.874 25.119 1.00 0.00 WT4 H ATOM 49738 OH2 TIP3 4501 74.373 25.568 -1.556 1.00 0.00 WT4 O ATOM 49739 H1 TIP3 4501 74.321 26.507 -1.735 1.00 0.00 WT4 H ATOM 49740 H2 TIP3 4501 74.947 25.224 -2.239 1.00 0.00 WT4 H ATOM 49741 OH2 TIP3 4513 32.349 57.730 -1.576 1.00 0.00 WT4 O ATOM 49742 H1 TIP3 4513 32.041 58.567 -1.925 1.00 0.00 WT4 H ATOM 49743 H2 TIP3 4513 32.494 57.898 -0.645 1.00 0.00 WT4 H ATOM 49744 OH2 TIP3 4515 26.551 24.161 15.752 1.00 0.00 WT4 O ATOM 49745 H1 TIP3 4515 25.611 24.277 15.896 1.00 0.00 WT4 H ATOM 49746 H2 TIP3 4515 26.647 23.233 15.538 1.00 0.00 WT4 H ATOM 49747 OH2 TIP3 4516 51.680 31.601 64.035 1.00 0.00 WT4 O ATOM 49748 H1 TIP3 4516 51.305 32.079 63.296 1.00 0.00 WT4 H ATOM 49749 H2 TIP3 4516 51.475 32.141 64.799 1.00 0.00 WT4 H ATOM 49750 OH2 TIP3 4517 56.078 58.534 -6.251 1.00 0.00 WT4 O ATOM 49751 H1 TIP3 4517 55.408 57.945 -6.595 1.00 0.00 WT4 H ATOM 49752 H2 TIP3 4517 55.743 58.806 -5.396 1.00 0.00 WT4 H ATOM 49753 OH2 TIP3 4518 36.033 81.517 61.687 1.00 0.00 WT4 O ATOM 49754 H1 TIP3 4518 35.693 82.304 61.261 1.00 0.00 WT4 H ATOM 49755 H2 TIP3 4518 35.435 80.820 61.418 1.00 0.00 WT4 H ATOM 49756 OH2 TIP3 4519 36.755 93.554 8.999 1.00 0.00 WT4 O ATOM 49757 H1 TIP3 4519 37.523 94.123 9.052 1.00 0.00 WT4 H ATOM 49758 H2 TIP3 4519 36.258 93.748 9.794 1.00 0.00 WT4 H ATOM 49759 OH2 TIP3 4523 55.828 5.099 20.363 1.00 0.00 WT4 O ATOM 49760 H1 TIP3 4523 55.510 5.897 19.942 1.00 0.00 WT4 H ATOM 49761 H2 TIP3 4523 56.052 5.369 21.253 1.00 0.00 WT4 H ATOM 49762 OH2 TIP3 4524 22.006 70.427 63.391 1.00 0.00 WT4 O ATOM 49763 H1 TIP3 4524 21.417 70.756 62.712 1.00 0.00 WT4 H ATOM 49764 H2 TIP3 4524 22.884 70.562 63.034 1.00 0.00 WT4 H ATOM 49765 OH2 TIP3 4536 35.480 39.895 28.020 1.00 0.00 WT4 O ATOM 49766 H1 TIP3 4536 35.099 40.602 27.500 1.00 0.00 WT4 H ATOM 49767 H2 TIP3 4536 36.359 40.204 28.238 1.00 0.00 WT4 H ATOM 49768 OH2 TIP3 4537 55.101 92.411 48.762 1.00 0.00 WT4 O ATOM 49769 H1 TIP3 4537 55.830 91.790 48.762 1.00 0.00 WT4 H ATOM 49770 H2 TIP3 4537 55.242 92.947 47.981 1.00 0.00 WT4 H ATOM 49771 OH2 TIP3 4538 29.087 75.594 50.341 1.00 0.00 WT4 O ATOM 49772 H1 TIP3 4538 28.667 76.376 49.982 1.00 0.00 WT4 H ATOM 49773 H2 TIP3 4538 28.359 75.033 50.609 1.00 0.00 WT4 H ATOM 49774 OH2 TIP3 4542 27.394 90.499 -10.197 1.00 0.00 WT4 O ATOM 49775 H1 TIP3 4542 26.499 90.752 -10.421 1.00 0.00 WT4 H ATOM 49776 H2 TIP3 4542 27.884 91.321 -10.197 1.00 0.00 WT4 H ATOM 49777 OH2 TIP3 4544 36.351 47.753 29.073 1.00 0.00 WT4 O ATOM 49778 H1 TIP3 4544 35.752 47.059 29.349 1.00 0.00 WT4 H ATOM 49779 H2 TIP3 4544 37.168 47.562 29.534 1.00 0.00 WT4 H ATOM 49780 OH2 TIP3 4553 77.764 74.890 -9.463 1.00 0.00 WT4 O ATOM 49781 H1 TIP3 4553 77.123 75.425 -9.931 1.00 0.00 WT4 H ATOM 49782 H2 TIP3 4553 78.247 75.514 -8.921 1.00 0.00 WT4 H ATOM 49783 OH2 TIP3 4558 33.591 83.320 34.479 1.00 0.00 WT4 O ATOM 49784 H1 TIP3 4558 34.183 83.147 35.211 1.00 0.00 WT4 H ATOM 49785 H2 TIP3 4558 32.937 82.623 34.530 1.00 0.00 WT4 H ATOM 49786 OH2 TIP3 4559 89.452 82.592 41.873 1.00 0.00 WT4 O ATOM 49787 H1 TIP3 4559 89.697 83.508 41.740 1.00 0.00 WT4 H ATOM 49788 H2 TIP3 4559 88.872 82.390 41.138 1.00 0.00 WT4 H ATOM 49789 OH2 TIP3 4560 56.597 82.090 17.968 1.00 0.00 WT4 O ATOM 49790 H1 TIP3 4560 55.949 81.869 17.299 1.00 0.00 WT4 H ATOM 49791 H2 TIP3 4560 56.154 82.723 18.532 1.00 0.00 WT4 H ATOM 49792 OH2 TIP3 4561 37.620 11.194 50.577 1.00 0.00 WT4 O ATOM 49793 H1 TIP3 4561 37.596 10.237 50.554 1.00 0.00 WT4 H ATOM 49794 H2 TIP3 4561 37.577 11.413 51.507 1.00 0.00 WT4 H ATOM 49795 OH2 TIP3 4562 39.132 58.387 41.902 1.00 0.00 WT4 O ATOM 49796 H1 TIP3 4562 39.440 59.280 42.058 1.00 0.00 WT4 H ATOM 49797 H2 TIP3 4562 39.868 57.951 41.471 1.00 0.00 WT4 H ATOM 49798 OH2 TIP3 4569 31.039 5.125 54.810 1.00 0.00 WT4 O ATOM 49799 H1 TIP3 4569 31.672 4.749 55.421 1.00 0.00 WT4 H ATOM 49800 H2 TIP3 4569 31.568 5.426 54.071 1.00 0.00 WT4 H ATOM 49801 OH2 TIP3 4578 89.459 51.459 36.147 1.00 0.00 WT4 O ATOM 49802 H1 TIP3 4578 89.307 52.374 35.910 1.00 0.00 WT4 H ATOM 49803 H2 TIP3 4578 88.635 51.018 35.942 1.00 0.00 WT4 H ATOM 49804 OH2 TIP3 4581 53.247 60.038 63.726 1.00 0.00 WT4 O ATOM 49805 H1 TIP3 4581 53.082 59.957 62.787 1.00 0.00 WT4 H ATOM 49806 H2 TIP3 4581 52.403 60.295 64.097 1.00 0.00 WT4 H ATOM 49807 OH2 TIP3 4582 28.060 85.688 53.192 1.00 0.00 WT4 O ATOM 49808 H1 TIP3 4582 28.624 85.139 52.647 1.00 0.00 WT4 H ATOM 49809 H2 TIP3 4582 27.574 85.068 53.736 1.00 0.00 WT4 H ATOM 49810 OH2 TIP3 4586 52.377 58.633 0.964 1.00 0.00 WT4 O ATOM 49811 H1 TIP3 4586 52.416 58.305 1.863 1.00 0.00 WT4 H ATOM 49812 H2 TIP3 4586 53.209 59.089 0.839 1.00 0.00 WT4 H ATOM 49813 OH2 TIP3 4599 34.627 45.594 30.610 1.00 0.00 WT4 O ATOM 49814 H1 TIP3 4599 35.083 45.710 31.443 1.00 0.00 WT4 H ATOM 49815 H2 TIP3 4599 34.855 44.706 30.333 1.00 0.00 WT4 H ATOM 49816 OH2 TIP3 4600 57.113 91.567 7.750 1.00 0.00 WT4 O ATOM 49817 H1 TIP3 4600 57.280 90.684 7.423 1.00 0.00 WT4 H ATOM 49818 H2 TIP3 4600 56.520 91.954 7.105 1.00 0.00 WT4 H ATOM 49819 OH2 TIP3 4624 83.681 1.349 -6.380 1.00 0.00 WT4 O ATOM 49820 H1 TIP3 4624 83.657 2.258 -6.080 1.00 0.00 WT4 H ATOM 49821 H2 TIP3 4624 83.976 1.403 -7.288 1.00 0.00 WT4 H ATOM 49822 OH2 TIP3 4625 45.858 40.782 28.493 1.00 0.00 WT4 O ATOM 49823 H1 TIP3 4625 46.091 39.865 28.349 1.00 0.00 WT4 H ATOM 49824 H2 TIP3 4625 45.708 41.133 27.616 1.00 0.00 WT4 H ATOM 49825 OH2 TIP3 4628 53.965 70.901 32.238 1.00 0.00 WT4 O ATOM 49826 H1 TIP3 4628 53.374 71.247 32.906 1.00 0.00 WT4 H ATOM 49827 H2 TIP3 4628 54.729 70.597 32.727 1.00 0.00 WT4 H ATOM 49828 OH2 TIP3 4644 54.063 2.484 3.964 1.00 0.00 WT4 O ATOM 49829 H1 TIP3 4644 54.284 2.365 4.887 1.00 0.00 WT4 H ATOM 49830 H2 TIP3 4644 53.352 3.125 3.967 1.00 0.00 WT4 H ATOM 49831 OH2 TIP3 4663 21.846 93.160 23.074 1.00 0.00 WT4 O ATOM 49832 H1 TIP3 4663 22.084 92.430 22.502 1.00 0.00 WT4 H ATOM 49833 H2 TIP3 4663 22.669 93.623 23.228 1.00 0.00 WT4 H ATOM 49834 OH2 TIP3 4725 75.578 89.232 55.548 1.00 0.00 WT4 O ATOM 49835 H1 TIP3 4725 75.295 88.395 55.180 1.00 0.00 WT4 H ATOM 49836 H2 TIP3 4725 75.231 89.231 56.440 1.00 0.00 WT4 H ATOM 49837 OH2 TIP3 4808 84.695 94.075 59.418 1.00 0.00 WT4 O ATOM 49838 H1 TIP3 4808 85.072 94.893 59.095 1.00 0.00 WT4 H ATOM 49839 H2 TIP3 4808 84.916 94.061 60.350 1.00 0.00 WT4 H ATOM 49840 OH2 TIP3 4834 74.503 60.699 55.673 1.00 0.00 WT4 O ATOM 49841 H1 TIP3 4834 73.770 60.087 55.606 1.00 0.00 WT4 H ATOM 49842 H2 TIP3 4834 74.129 61.477 56.086 1.00 0.00 WT4 H ATOM 49843 OH2 TIP3 4836 58.307 76.027 37.140 1.00 0.00 WT4 O ATOM 49844 H1 TIP3 4836 57.431 75.646 37.076 1.00 0.00 WT4 H ATOM 49845 H2 TIP3 4836 58.865 75.431 36.640 1.00 0.00 WT4 H ATOM 49846 OH2 TIP3 4849 33.735 37.292 56.968 1.00 0.00 WT4 O ATOM 49847 H1 TIP3 4849 34.670 37.162 57.126 1.00 0.00 WT4 H ATOM 49848 H2 TIP3 4849 33.575 36.878 56.120 1.00 0.00 WT4 H ATOM 49849 OH2 TIP3 4851 79.605 77.375 30.012 1.00 0.00 WT4 O ATOM 49850 H1 TIP3 4851 78.651 77.339 29.950 1.00 0.00 WT4 H ATOM 49851 H2 TIP3 4851 79.783 77.391 30.953 1.00 0.00 WT4 H ATOM 49852 OH2 TIP3 4855 42.366 87.840 7.401 1.00 0.00 WT4 O ATOM 49853 H1 TIP3 4855 42.596 87.105 7.968 1.00 0.00 WT4 H ATOM 49854 H2 TIP3 4855 42.194 87.441 6.548 1.00 0.00 WT4 H ATOM 49855 OH2 TIP3 4857 58.885 44.832 -3.156 1.00 0.00 WT4 O ATOM 49856 H1 TIP3 4857 59.234 44.554 -2.310 1.00 0.00 WT4 H ATOM 49857 H2 TIP3 4857 59.171 45.741 -3.247 1.00 0.00 WT4 H ATOM 49858 OH2 TIP3 4863 55.158 42.803 66.223 1.00 0.00 WT4 O ATOM 49859 H1 TIP3 4863 55.481 43.351 66.939 1.00 0.00 WT4 H ATOM 49860 H2 TIP3 4863 54.552 42.193 66.643 1.00 0.00 WT4 H ATOM 49861 OH2 TIP3 4872 69.273 31.054 29.769 1.00 0.00 WT4 O ATOM 49862 H1 TIP3 4872 70.089 30.672 30.091 1.00 0.00 WT4 H ATOM 49863 H2 TIP3 4872 68.591 30.457 30.079 1.00 0.00 WT4 H ATOM 49864 OH2 TIP3 4875 26.851 51.177 63.293 1.00 0.00 WT4 O ATOM 49865 H1 TIP3 4875 26.215 50.845 62.660 1.00 0.00 WT4 H ATOM 49866 H2 TIP3 4875 26.320 51.604 63.966 1.00 0.00 WT4 H ATOM 49867 OH2 TIP3 4877 24.334 60.219 -2.804 1.00 0.00 WT4 O ATOM 49868 H1 TIP3 4877 24.961 59.683 -2.319 1.00 0.00 WT4 H ATOM 49869 H2 TIP3 4877 23.784 60.616 -2.128 1.00 0.00 WT4 H ATOM 49870 OH2 TIP3 4893 58.673 27.405 57.948 1.00 0.00 WT4 O ATOM 49871 H1 TIP3 4893 58.096 27.718 58.645 1.00 0.00 WT4 H ATOM 49872 H2 TIP3 4893 59.488 27.178 58.396 1.00 0.00 WT4 H ATOM 49873 OH2 TIP3 4896 31.448 87.463 -12.185 1.00 0.00 WT4 O ATOM 49874 H1 TIP3 4896 31.586 87.973 -12.984 1.00 0.00 WT4 H ATOM 49875 H2 TIP3 4896 32.063 87.836 -11.553 1.00 0.00 WT4 H ATOM 49876 OH2 TIP3 4897 67.215 52.399 64.030 1.00 0.00 WT4 O ATOM 49877 H1 TIP3 4897 66.404 51.891 64.006 1.00 0.00 WT4 H ATOM 49878 H2 TIP3 4897 67.120 52.966 64.795 1.00 0.00 WT4 H ATOM 49879 OH2 TIP3 4898 71.734 86.968 63.218 1.00 0.00 WT4 O ATOM 49880 H1 TIP3 4898 72.216 87.414 63.914 1.00 0.00 WT4 H ATOM 49881 H2 TIP3 4898 72.245 87.137 62.426 1.00 0.00 WT4 H ATOM 49882 OH2 TIP3 4899 28.717 69.695 36.882 1.00 0.00 WT4 O ATOM 49883 H1 TIP3 4899 28.452 69.660 35.963 1.00 0.00 WT4 H ATOM 49884 H2 TIP3 4899 29.462 69.097 36.940 1.00 0.00 WT4 H ATOM 49885 OH2 TIP3 4914 56.329 75.157 46.529 1.00 0.00 WT4 O ATOM 49886 H1 TIP3 4914 55.964 74.959 45.667 1.00 0.00 WT4 H ATOM 49887 H2 TIP3 4914 55.569 75.183 47.111 1.00 0.00 WT4 H ATOM 49888 OH2 TIP3 4915 50.318 28.767 45.511 1.00 0.00 WT4 O ATOM 49889 H1 TIP3 4915 50.690 27.898 45.668 1.00 0.00 WT4 H ATOM 49890 H2 TIP3 4915 50.529 28.956 44.596 1.00 0.00 WT4 H ATOM 49891 OH2 TIP3 4916 23.942 68.931 56.200 1.00 0.00 WT4 O ATOM 49892 H1 TIP3 4916 24.513 69.242 55.498 1.00 0.00 WT4 H ATOM 49893 H2 TIP3 4916 23.056 69.042 55.855 1.00 0.00 WT4 H ATOM 49894 OH2 TIP3 4919 81.877 50.331 -0.262 1.00 0.00 WT4 O ATOM 49895 H1 TIP3 4919 82.764 50.631 -0.063 1.00 0.00 WT4 H ATOM 49896 H2 TIP3 4919 81.346 50.649 0.468 1.00 0.00 WT4 H ATOM 49897 OH2 TIP3 4922 84.765 89.894 62.572 1.00 0.00 WT4 O ATOM 49898 H1 TIP3 4922 84.998 89.121 63.086 1.00 0.00 WT4 H ATOM 49899 H2 TIP3 4922 83.832 90.022 62.740 1.00 0.00 WT4 H ATOM 49900 OH2 TIP3 4924 43.479 45.741 61.530 1.00 0.00 WT4 O ATOM 49901 H1 TIP3 4924 43.493 45.486 60.608 1.00 0.00 WT4 H ATOM 49902 H2 TIP3 4924 43.065 46.604 61.535 1.00 0.00 WT4 H ATOM 49903 OH2 TIP3 4934 78.020 95.398 -12.341 1.00 0.00 WT4 O ATOM 49904 H1 TIP3 4934 77.907 95.272 -11.399 1.00 0.00 WT4 H ATOM 49905 H2 TIP3 4934 78.902 95.757 -12.431 1.00 0.00 WT4 H ATOM 49906 OH2 TIP3 4935 31.622 94.482 48.525 1.00 0.00 WT4 O ATOM 49907 H1 TIP3 4935 31.871 93.615 48.206 1.00 0.00 WT4 H ATOM 49908 H2 TIP3 4935 32.454 94.928 48.685 1.00 0.00 WT4 H ATOM 49909 OH2 TIP3 4936 39.859 8.212 -10.013 1.00 0.00 WT4 O ATOM 49910 H1 TIP3 4936 40.114 9.121 -10.173 1.00 0.00 WT4 H ATOM 49911 H2 TIP3 4936 40.384 7.944 -9.260 1.00 0.00 WT4 H ATOM 49912 OH2 TIP3 4939 62.696 76.623 0.317 1.00 0.00 WT4 O ATOM 49913 H1 TIP3 4939 62.555 76.074 1.089 1.00 0.00 WT4 H ATOM 49914 H2 TIP3 4939 61.819 76.766 -0.039 1.00 0.00 WT4 H ATOM 49915 OH2 TIP3 4942 57.762 94.003 63.477 1.00 0.00 WT4 O ATOM 49916 H1 TIP3 4942 57.940 93.497 62.684 1.00 0.00 WT4 H ATOM 49917 H2 TIP3 4942 58.171 93.499 64.180 1.00 0.00 WT4 H ATOM 49918 OH2 TIP3 4956 21.779 87.150 27.365 1.00 0.00 WT4 O ATOM 49919 H1 TIP3 4956 22.293 87.448 26.615 1.00 0.00 WT4 H ATOM 49920 H2 TIP3 4956 21.438 87.954 27.756 1.00 0.00 WT4 H ATOM 49921 OH2 TIP3 4957 89.741 77.073 18.263 1.00 0.00 WT4 O ATOM 49922 H1 TIP3 4957 90.371 77.364 17.604 1.00 0.00 WT4 H ATOM 49923 H2 TIP3 4957 89.092 76.572 17.769 1.00 0.00 WT4 H ATOM 49924 OH2 TIP3 4962 48.570 92.517 45.316 1.00 0.00 WT4 O ATOM 49925 H1 TIP3 4962 48.426 93.227 44.691 1.00 0.00 WT4 H ATOM 49926 H2 TIP3 4962 48.511 91.719 44.791 1.00 0.00 WT4 H ATOM 49927 OH2 TIP3 4963 44.078 50.951 3.341 1.00 0.00 WT4 O ATOM 49928 H1 TIP3 4963 44.551 51.414 4.032 1.00 0.00 WT4 H ATOM 49929 H2 TIP3 4963 44.727 50.823 2.650 1.00 0.00 WT4 H ATOM 49930 OH2 TIP3 4965 58.165 75.357 52.192 1.00 0.00 WT4 O ATOM 49931 H1 TIP3 4965 58.261 74.801 51.419 1.00 0.00 WT4 H ATOM 49932 H2 TIP3 4965 57.957 76.223 51.841 1.00 0.00 WT4 H ATOM 49933 OH2 TIP3 4978 89.097 83.134 53.451 1.00 0.00 WT4 O ATOM 49934 H1 TIP3 4978 89.586 83.040 54.269 1.00 0.00 WT4 H ATOM 49935 H2 TIP3 4978 89.389 82.400 52.911 1.00 0.00 WT4 H ATOM 49936 OH2 TIP3 4980 73.972 54.049 23.533 1.00 0.00 WT4 O ATOM 49937 H1 TIP3 4980 73.185 53.504 23.501 1.00 0.00 WT4 H ATOM 49938 H2 TIP3 4980 74.078 54.370 22.637 1.00 0.00 WT4 H ATOM 49939 OH2 TIP3 4981 70.743 69.394 52.886 1.00 0.00 WT4 O ATOM 49940 H1 TIP3 4981 70.093 70.065 52.674 1.00 0.00 WT4 H ATOM 49941 H2 TIP3 4981 71.075 69.106 52.036 1.00 0.00 WT4 H ATOM 49942 OH2 TIP3 4982 69.929 10.515 52.050 1.00 0.00 WT4 O ATOM 49943 H1 TIP3 4982 69.515 11.222 51.555 1.00 0.00 WT4 H ATOM 49944 H2 TIP3 4982 69.239 10.191 52.629 1.00 0.00 WT4 H ATOM 49945 OH2 TIP3 4983 53.870 84.575 16.017 1.00 0.00 WT4 O ATOM 49946 H1 TIP3 4983 53.294 84.094 16.612 1.00 0.00 WT4 H ATOM 49947 H2 TIP3 4983 53.950 85.443 16.410 1.00 0.00 WT4 H ATOM 49948 OH2 TIP3 4985 55.368 25.424 52.053 1.00 0.00 WT4 O ATOM 49949 H1 TIP3 4985 55.554 26.078 52.726 1.00 0.00 WT4 H ATOM 49950 H2 TIP3 4985 54.631 25.787 51.562 1.00 0.00 WT4 H ATOM 49951 OH2 TIP3 4996 68.810 75.250 56.068 1.00 0.00 WT4 O ATOM 49952 H1 TIP3 4996 68.902 75.696 55.226 1.00 0.00 WT4 H ATOM 49953 H2 TIP3 4996 68.174 75.778 56.551 1.00 0.00 WT4 H ATOM 49954 OH2 TIP3 4998 39.844 -0.063 53.923 1.00 0.00 WT4 O ATOM 49955 H1 TIP3 4998 40.702 -0.484 53.983 1.00 0.00 WT4 H ATOM 49956 H2 TIP3 4998 40.039 0.869 53.833 1.00 0.00 WT4 H ATOM 49957 OH2 TIP3 4999 79.260 69.277 -8.134 1.00 0.00 WT4 O ATOM 49958 H1 TIP3 4999 78.420 69.722 -8.019 1.00 0.00 WT4 H ATOM 49959 H2 TIP3 4999 79.355 69.186 -9.082 1.00 0.00 WT4 H ATOM 49960 OH2 TIP3 5000 84.638 72.708 -11.108 1.00 0.00 WT4 O ATOM 49961 H1 TIP3 5000 84.479 73.651 -11.069 1.00 0.00 WT4 H ATOM 49962 H2 TIP3 5000 85.286 72.546 -10.423 1.00 0.00 WT4 H ATOM 49963 OH2 TIP3 5001 22.085 37.766 59.261 1.00 0.00 WT4 O ATOM 49964 H1 TIP3 5001 21.826 37.937 58.355 1.00 0.00 WT4 H ATOM 49965 H2 TIP3 5001 21.808 38.546 59.741 1.00 0.00 WT4 H ATOM 49966 OH2 TIP3 5002 22.960 75.522 52.383 1.00 0.00 WT4 O ATOM 49967 H1 TIP3 5002 23.789 75.584 52.857 1.00 0.00 WT4 H ATOM 49968 H2 TIP3 5002 22.713 74.600 52.450 1.00 0.00 WT4 H ATOM 49969 OH2 TIP3 5004 80.238 72.407 -13.097 1.00 0.00 WT4 O ATOM 49970 H1 TIP3 5004 79.498 72.904 -13.447 1.00 0.00 WT4 H ATOM 49971 H2 TIP3 5004 80.509 72.896 -12.320 1.00 0.00 WT4 H ATOM 49972 OH2 TIP3 5005 35.656 10.779 -13.657 1.00 0.00 WT4 O ATOM 49973 H1 TIP3 5005 35.649 11.709 -13.886 1.00 0.00 WT4 H ATOM 49974 H2 TIP3 5005 36.443 10.435 -14.080 1.00 0.00 WT4 H ATOM 49975 OH2 TIP3 5019 22.407 74.385 38.281 1.00 0.00 WT4 O ATOM 49976 H1 TIP3 5019 22.545 74.096 37.379 1.00 0.00 WT4 H ATOM 49977 H2 TIP3 5019 22.159 73.590 38.753 1.00 0.00 WT4 H ATOM 49978 OH2 TIP3 5021 53.466 93.698 41.638 1.00 0.00 WT4 O ATOM 49979 H1 TIP3 5021 54.357 93.873 41.939 1.00 0.00 WT4 H ATOM 49980 H2 TIP3 5021 53.354 94.265 40.875 1.00 0.00 WT4 H ATOM 49981 OH2 TIP3 5023 34.732 10.934 7.566 1.00 0.00 WT4 O ATOM 49982 H1 TIP3 5023 34.380 11.646 8.099 1.00 0.00 WT4 H ATOM 49983 H2 TIP3 5023 34.396 10.137 7.977 1.00 0.00 WT4 H ATOM 49984 OH2 TIP3 5025 22.311 56.700 -5.556 1.00 0.00 WT4 O ATOM 49985 H1 TIP3 5025 22.639 57.529 -5.207 1.00 0.00 WT4 H ATOM 49986 H2 TIP3 5025 21.619 56.954 -6.166 1.00 0.00 WT4 H ATOM 49987 OH2 TIP3 5043 64.110 20.163 -13.971 1.00 0.00 WT4 O ATOM 49988 H1 TIP3 5043 64.431 19.793 -14.794 1.00 0.00 WT4 H ATOM 49989 H2 TIP3 5043 64.193 21.109 -14.085 1.00 0.00 WT4 H ATOM 49990 OH2 TIP3 5044 53.572 78.067 59.440 1.00 0.00 WT4 O ATOM 49991 H1 TIP3 5044 52.834 77.894 60.025 1.00 0.00 WT4 H ATOM 49992 H2 TIP3 5044 54.329 78.134 60.022 1.00 0.00 WT4 H ATOM 49993 OH2 TIP3 5049 62.570 49.959 46.780 1.00 0.00 WT4 O ATOM 49994 H1 TIP3 5049 63.008 50.499 46.122 1.00 0.00 WT4 H ATOM 49995 H2 TIP3 5049 62.178 49.242 46.280 1.00 0.00 WT4 H ATOM 49996 OH2 TIP3 5060 43.221 60.227 0.564 1.00 0.00 WT4 O ATOM 49997 H1 TIP3 5060 43.785 59.461 0.454 1.00 0.00 WT4 H ATOM 49998 H2 TIP3 5060 43.314 60.462 1.488 1.00 0.00 WT4 H ATOM 49999 OH2 TIP3 5061 45.886 86.423 46.773 1.00 0.00 WT4 O ATOM 50000 H1 TIP3 5061 45.866 87.350 46.534 1.00 0.00 WT4 H ATOM 50001 H2 TIP3 5061 45.070 86.067 46.420 1.00 0.00 WT4 H ATOM 50002 OH2 TIP3 5063 39.384 89.260 31.097 1.00 0.00 WT4 O ATOM 50003 H1 TIP3 5063 39.150 88.875 31.942 1.00 0.00 WT4 H ATOM 50004 H2 TIP3 5063 38.952 88.701 30.451 1.00 0.00 WT4 H ATOM 50005 OH2 TIP3 5085 61.303 4.587 33.586 1.00 0.00 WT4 O ATOM 50006 H1 TIP3 5085 61.305 4.909 34.487 1.00 0.00 WT4 H ATOM 50007 H2 TIP3 5085 60.397 4.695 33.295 1.00 0.00 WT4 H ATOM 50008 OH2 TIP3 5088 78.016 92.593 40.146 1.00 0.00 WT4 O ATOM 50009 H1 TIP3 5088 77.245 92.273 40.615 1.00 0.00 WT4 H ATOM 50010 H2 TIP3 5088 78.591 91.831 40.081 1.00 0.00 WT4 H ATOM 50011 OH2 TIP3 5133 87.933 16.883 -0.272 1.00 0.00 WT4 O ATOM 50012 H1 TIP3 5133 88.274 17.711 -0.612 1.00 0.00 WT4 H ATOM 50013 H2 TIP3 5133 88.454 16.713 0.513 1.00 0.00 WT4 H ATOM 50014 OH2 TIP3 5134 32.973 5.801 64.645 1.00 0.00 WT4 O ATOM 50015 H1 TIP3 5134 33.346 5.320 65.384 1.00 0.00 WT4 H ATOM 50016 H2 TIP3 5134 32.156 5.344 64.448 1.00 0.00 WT4 H ATOM 50017 OH2 TIP3 5164 26.654 50.640 49.903 1.00 0.00 WT4 O ATOM 50018 H1 TIP3 5164 27.487 51.084 49.748 1.00 0.00 WT4 H ATOM 50019 H2 TIP3 5164 26.068 51.330 50.215 1.00 0.00 WT4 H ATOM 50020 OH2 TIP3 5166 47.872 59.741 -0.542 1.00 0.00 WT4 O ATOM 50021 H1 TIP3 5166 47.194 60.166 -0.018 1.00 0.00 WT4 H ATOM 50022 H2 TIP3 5166 48.693 59.984 -0.116 1.00 0.00 WT4 H ATOM 50023 OH2 TIP3 5193 42.749 29.137 24.343 1.00 0.00 WT4 O ATOM 50024 H1 TIP3 5193 43.333 28.401 24.525 1.00 0.00 WT4 H ATOM 50025 H2 TIP3 5193 41.902 28.865 24.698 1.00 0.00 WT4 H ATOM 50026 OH2 TIP3 5234 64.895 28.214 -14.246 1.00 0.00 WT4 O ATOM 50027 H1 TIP3 5234 64.777 27.500 -13.620 1.00 0.00 WT4 H ATOM 50028 H2 TIP3 5234 64.435 28.956 -13.853 1.00 0.00 WT4 H ATOM 50029 OH2 TIP3 5251 58.920 35.705 -14.037 1.00 0.00 WT4 O ATOM 50030 H1 TIP3 5251 59.080 34.949 -13.473 1.00 0.00 WT4 H ATOM 50031 H2 TIP3 5251 58.907 36.453 -13.439 1.00 0.00 WT4 H ATOM 50032 OH2 TIP3 5259 52.704 63.128 44.968 1.00 0.00 WT4 O ATOM 50033 H1 TIP3 5259 53.094 62.299 45.243 1.00 0.00 WT4 H ATOM 50034 H2 TIP3 5259 52.809 63.140 44.017 1.00 0.00 WT4 H ATOM 50035 OH2 TIP3 5260 51.187 88.822 8.421 1.00 0.00 WT4 O ATOM 50036 H1 TIP3 5260 50.946 88.255 7.688 1.00 0.00 WT4 H ATOM 50037 H2 TIP3 5260 50.429 88.795 9.005 1.00 0.00 WT4 H ATOM 50038 OH2 TIP3 5271 69.694 76.323 26.443 1.00 0.00 WT4 O ATOM 50039 H1 TIP3 5271 69.176 77.108 26.266 1.00 0.00 WT4 H ATOM 50040 H2 TIP3 5271 69.072 75.707 26.830 1.00 0.00 WT4 H ATOM 50041 OH2 TIP3 5272 32.969 70.928 -4.554 1.00 0.00 WT4 O ATOM 50042 H1 TIP3 5272 33.219 70.818 -5.471 1.00 0.00 WT4 H ATOM 50043 H2 TIP3 5272 33.693 71.417 -4.164 1.00 0.00 WT4 H ATOM 50044 OH2 TIP3 5296 26.322 8.506 62.641 1.00 0.00 WT4 O ATOM 50045 H1 TIP3 5296 27.174 8.301 62.256 1.00 0.00 WT4 H ATOM 50046 H2 TIP3 5296 26.529 8.995 63.437 1.00 0.00 WT4 H ATOM 50047 OH2 TIP3 5304 34.910 50.098 -8.752 1.00 0.00 WT4 O ATOM 50048 H1 TIP3 5304 34.671 49.201 -8.517 1.00 0.00 WT4 H ATOM 50049 H2 TIP3 5304 35.756 50.014 -9.191 1.00 0.00 WT4 H ATOM 50050 OH2 TIP3 5317 73.375 78.418 29.187 1.00 0.00 WT4 O ATOM 50051 H1 TIP3 5317 73.503 79.365 29.131 1.00 0.00 WT4 H ATOM 50052 H2 TIP3 5317 72.756 78.302 29.908 1.00 0.00 WT4 H ATOM 50053 OH2 TIP3 5318 79.793 70.873 57.254 1.00 0.00 WT4 O ATOM 50054 H1 TIP3 5318 80.719 70.688 57.410 1.00 0.00 WT4 H ATOM 50055 H2 TIP3 5318 79.667 71.763 57.582 1.00 0.00 WT4 H ATOM 50056 OH2 TIP3 5319 61.515 66.141 57.444 1.00 0.00 WT4 O ATOM 50057 H1 TIP3 5319 62.301 65.851 56.982 1.00 0.00 WT4 H ATOM 50058 H2 TIP3 5319 60.835 66.163 56.771 1.00 0.00 WT4 H ATOM 50059 OH2 TIP3 5320 77.548 80.457 44.620 1.00 0.00 WT4 O ATOM 50060 H1 TIP3 5320 77.141 79.591 44.643 1.00 0.00 WT4 H ATOM 50061 H2 TIP3 5320 78.399 80.311 44.207 1.00 0.00 WT4 H ATOM 50062 OH2 TIP3 5332 58.386 47.957 43.563 1.00 0.00 WT4 O ATOM 50063 H1 TIP3 5332 58.626 47.863 42.641 1.00 0.00 WT4 H ATOM 50064 H2 TIP3 5332 57.429 47.932 43.566 1.00 0.00 WT4 H ATOM 50065 OH2 TIP3 5341 55.004 92.636 44.068 1.00 0.00 WT4 O ATOM 50066 H1 TIP3 5341 54.268 93.064 44.504 1.00 0.00 WT4 H ATOM 50067 H2 TIP3 5341 55.780 93.062 44.434 1.00 0.00 WT4 H ATOM 50068 OH2 TIP3 5357 68.069 78.161 -12.848 1.00 0.00 WT4 O ATOM 50069 H1 TIP3 5357 67.515 77.605 -13.396 1.00 0.00 WT4 H ATOM 50070 H2 TIP3 5357 68.865 78.289 -13.364 1.00 0.00 WT4 H ATOM 50071 OH2 TIP3 5358 31.162 68.392 67.271 1.00 0.00 WT4 O ATOM 50072 H1 TIP3 5358 32.118 68.350 67.244 1.00 0.00 WT4 H ATOM 50073 H2 TIP3 5358 30.927 68.979 66.553 1.00 0.00 WT4 H ATOM 50074 OH2 TIP3 5359 31.697 70.012 18.373 1.00 0.00 WT4 O ATOM 50075 H1 TIP3 5359 31.186 70.561 18.968 1.00 0.00 WT4 H ATOM 50076 H2 TIP3 5359 32.607 70.167 18.627 1.00 0.00 WT4 H ATOM 50077 OH2 TIP3 5360 58.199 61.093 48.372 1.00 0.00 WT4 O ATOM 50078 H1 TIP3 5360 58.325 60.207 48.031 1.00 0.00 WT4 H ATOM 50079 H2 TIP3 5360 59.025 61.540 48.188 1.00 0.00 WT4 H ATOM 50080 OH2 TIP3 5363 63.966 51.368 55.593 1.00 0.00 WT4 O ATOM 50081 H1 TIP3 5363 63.126 51.073 55.241 1.00 0.00 WT4 H ATOM 50082 H2 TIP3 5363 64.193 52.132 55.063 1.00 0.00 WT4 H ATOM 50083 OH2 TIP3 5364 88.557 11.322 35.436 1.00 0.00 WT4 O ATOM 50084 H1 TIP3 5364 87.675 11.155 35.103 1.00 0.00 WT4 H ATOM 50085 H2 TIP3 5364 88.418 11.792 36.258 1.00 0.00 WT4 H ATOM 50086 OH2 TIP3 5375 43.778 76.716 -3.053 1.00 0.00 WT4 O ATOM 50087 H1 TIP3 5375 43.775 76.366 -2.162 1.00 0.00 WT4 H ATOM 50088 H2 TIP3 5375 44.705 76.805 -3.273 1.00 0.00 WT4 H ATOM 50089 OH2 TIP3 5377 34.787 58.259 35.625 1.00 0.00 WT4 O ATOM 50090 H1 TIP3 5377 34.739 58.764 36.436 1.00 0.00 WT4 H ATOM 50091 H2 TIP3 5377 35.672 58.418 35.295 1.00 0.00 WT4 H ATOM 50092 OH2 TIP3 5378 28.333 63.211 -18.038 1.00 0.00 WT4 O ATOM 50093 H1 TIP3 5378 28.843 62.413 -18.179 1.00 0.00 WT4 H ATOM 50094 H2 TIP3 5378 27.579 63.121 -18.621 1.00 0.00 WT4 H ATOM 50095 OH2 TIP3 5379 20.977 26.553 56.415 1.00 0.00 WT4 O ATOM 50096 H1 TIP3 5379 20.174 26.954 56.084 1.00 0.00 WT4 H ATOM 50097 H2 TIP3 5379 21.647 26.794 55.776 1.00 0.00 WT4 H ATOM 50098 OH2 TIP3 5380 83.307 42.040 24.528 1.00 0.00 WT4 O ATOM 50099 H1 TIP3 5380 83.366 41.842 23.593 1.00 0.00 WT4 H ATOM 50100 H2 TIP3 5380 82.852 42.881 24.567 1.00 0.00 WT4 H ATOM 50101 OH2 TIP3 5381 33.772 45.370 65.069 1.00 0.00 WT4 O ATOM 50102 H1 TIP3 5381 33.516 45.055 65.937 1.00 0.00 WT4 H ATOM 50103 H2 TIP3 5381 34.392 44.714 64.749 1.00 0.00 WT4 H ATOM 50104 OH2 TIP3 5382 81.909 83.807 1.634 1.00 0.00 WT4 O ATOM 50105 H1 TIP3 5382 81.134 84.329 1.427 1.00 0.00 WT4 H ATOM 50106 H2 TIP3 5382 82.376 83.730 0.802 1.00 0.00 WT4 H ATOM 50107 OH2 TIP3 5383 77.054 44.573 38.126 1.00 0.00 WT4 O ATOM 50108 H1 TIP3 5383 76.837 45.489 37.954 1.00 0.00 WT4 H ATOM 50109 H2 TIP3 5383 77.971 44.491 37.864 1.00 0.00 WT4 H ATOM 50110 OH2 TIP3 5384 27.402 43.602 -14.380 1.00 0.00 WT4 O ATOM 50111 H1 TIP3 5384 26.572 43.777 -13.936 1.00 0.00 WT4 H ATOM 50112 H2 TIP3 5384 28.065 43.999 -13.815 1.00 0.00 WT4 H ATOM 50113 OH2 TIP3 5385 89.853 14.811 47.502 1.00 0.00 WT4 O ATOM 50114 H1 TIP3 5385 89.755 14.169 46.799 1.00 0.00 WT4 H ATOM 50115 H2 TIP3 5385 90.768 15.088 47.447 1.00 0.00 WT4 H ATOM 50116 OH2 TIP3 5393 48.937 28.807 -11.691 1.00 0.00 WT4 O ATOM 50117 H1 TIP3 5393 49.008 28.178 -10.973 1.00 0.00 WT4 H ATOM 50118 H2 TIP3 5393 49.442 29.565 -11.395 1.00 0.00 WT4 H ATOM 50119 OH2 TIP3 5396 57.716 95.899 41.685 1.00 0.00 WT4 O ATOM 50120 H1 TIP3 5396 58.375 95.784 41.000 1.00 0.00 WT4 H ATOM 50121 H2 TIP3 5396 57.210 95.087 41.670 1.00 0.00 WT4 H ATOM 50122 OH2 TIP3 5399 65.860 92.833 -1.113 1.00 0.00 WT4 O ATOM 50123 H1 TIP3 5399 65.440 93.271 -0.373 1.00 0.00 WT4 H ATOM 50124 H2 TIP3 5399 65.159 92.324 -1.520 1.00 0.00 WT4 H ATOM 50125 OH2 TIP3 5400 67.995 35.921 12.363 1.00 0.00 WT4 O ATOM 50126 H1 TIP3 5400 67.729 35.604 13.226 1.00 0.00 WT4 H ATOM 50127 H2 TIP3 5400 67.909 36.873 12.419 1.00 0.00 WT4 H ATOM 50128 OH2 TIP3 5402 54.761 7.185 18.991 1.00 0.00 WT4 O ATOM 50129 H1 TIP3 5402 53.864 7.443 19.203 1.00 0.00 WT4 H ATOM 50130 H2 TIP3 5402 55.188 7.998 18.723 1.00 0.00 WT4 H ATOM 50131 OH2 TIP3 5404 62.144 79.116 61.366 1.00 0.00 WT4 O ATOM 50132 H1 TIP3 5404 62.684 79.004 62.148 1.00 0.00 WT4 H ATOM 50133 H2 TIP3 5404 62.254 80.036 61.128 1.00 0.00 WT4 H ATOM 50134 OH2 TIP3 5418 60.628 90.678 15.666 1.00 0.00 WT4 O ATOM 50135 H1 TIP3 5418 60.557 91.356 16.337 1.00 0.00 WT4 H ATOM 50136 H2 TIP3 5418 61.256 90.051 16.023 1.00 0.00 WT4 H ATOM 50137 OH2 TIP3 5419 75.885 82.540 0.015 1.00 0.00 WT4 O ATOM 50138 H1 TIP3 5419 76.797 82.300 0.184 1.00 0.00 WT4 H ATOM 50139 H2 TIP3 5419 75.546 81.826 -0.525 1.00 0.00 WT4 H ATOM 50140 OH2 TIP3 5420 78.614 86.703 30.137 1.00 0.00 WT4 O ATOM 50141 H1 TIP3 5420 77.678 86.903 30.163 1.00 0.00 WT4 H ATOM 50142 H2 TIP3 5420 79.038 87.554 30.023 1.00 0.00 WT4 H ATOM 50143 OH2 TIP3 5421 62.425 58.594 17.097 1.00 0.00 WT4 O ATOM 50144 H1 TIP3 5421 61.507 58.792 16.913 1.00 0.00 WT4 H ATOM 50145 H2 TIP3 5421 62.400 57.769 17.581 1.00 0.00 WT4 H ATOM 50146 OH2 TIP3 5422 36.084 21.995 50.950 1.00 0.00 WT4 O ATOM 50147 H1 TIP3 5422 35.180 22.095 51.246 1.00 0.00 WT4 H ATOM 50148 H2 TIP3 5422 36.393 22.891 50.815 1.00 0.00 WT4 H ATOM 50149 OH2 TIP3 5426 49.441 95.409 50.031 1.00 0.00 WT4 O ATOM 50150 H1 TIP3 5426 49.499 94.647 49.454 1.00 0.00 WT4 H ATOM 50151 H2 TIP3 5426 50.139 95.991 49.732 1.00 0.00 WT4 H ATOM 50152 OH2 TIP3 5430 23.888 82.699 3.456 1.00 0.00 WT4 O ATOM 50153 H1 TIP3 5430 23.230 82.011 3.556 1.00 0.00 WT4 H ATOM 50154 H2 TIP3 5430 24.707 82.291 3.739 1.00 0.00 WT4 H ATOM 50155 OH2 TIP3 5434 35.882 2.122 38.977 1.00 0.00 WT4 O ATOM 50156 H1 TIP3 5434 36.480 1.698 38.362 1.00 0.00 WT4 H ATOM 50157 H2 TIP3 5434 35.026 2.074 38.550 1.00 0.00 WT4 H ATOM 50158 OH2 TIP3 5440 35.253 67.323 53.006 1.00 0.00 WT4 O ATOM 50159 H1 TIP3 5440 35.865 67.773 52.425 1.00 0.00 WT4 H ATOM 50160 H2 TIP3 5440 34.576 66.979 52.422 1.00 0.00 WT4 H ATOM 50161 OH2 TIP3 5442 67.088 83.198 28.862 1.00 0.00 WT4 O ATOM 50162 H1 TIP3 5442 66.307 82.645 28.848 1.00 0.00 WT4 H ATOM 50163 H2 TIP3 5442 66.959 83.814 28.140 1.00 0.00 WT4 H ATOM 50164 OH2 TIP3 5443 41.944 76.513 -13.667 1.00 0.00 WT4 O ATOM 50165 H1 TIP3 5443 41.739 76.902 -12.816 1.00 0.00 WT4 H ATOM 50166 H2 TIP3 5443 41.278 75.836 -13.787 1.00 0.00 WT4 H ATOM 50167 OH2 TIP3 5444 37.747 6.214 46.655 1.00 0.00 WT4 O ATOM 50168 H1 TIP3 5444 38.249 5.602 47.191 1.00 0.00 WT4 H ATOM 50169 H2 TIP3 5444 36.840 5.920 46.740 1.00 0.00 WT4 H ATOM 50170 OH2 TIP3 5446 74.829 84.067 45.746 1.00 0.00 WT4 O ATOM 50171 H1 TIP3 5446 75.731 84.062 45.427 1.00 0.00 WT4 H ATOM 50172 H2 TIP3 5446 74.662 84.980 45.979 1.00 0.00 WT4 H ATOM 50173 OH2 TIP3 5460 69.878 66.557 -6.110 1.00 0.00 WT4 O ATOM 50174 H1 TIP3 5460 70.015 66.916 -6.987 1.00 0.00 WT4 H ATOM 50175 H2 TIP3 5460 69.143 65.952 -6.211 1.00 0.00 WT4 H ATOM 50176 OH2 TIP3 5461 26.041 52.675 42.373 1.00 0.00 WT4 O ATOM 50177 H1 TIP3 5461 26.147 52.038 43.079 1.00 0.00 WT4 H ATOM 50178 H2 TIP3 5461 26.897 53.099 42.301 1.00 0.00 WT4 H ATOM 50179 OH2 TIP3 5462 48.847 57.827 57.006 1.00 0.00 WT4 O ATOM 50180 H1 TIP3 5462 49.211 57.668 56.135 1.00 0.00 WT4 H ATOM 50181 H2 TIP3 5462 49.215 58.670 57.270 1.00 0.00 WT4 H ATOM 50182 OH2 TIP3 5463 20.736 56.537 11.278 1.00 0.00 WT4 O ATOM 50183 H1 TIP3 5463 20.565 57.458 11.478 1.00 0.00 WT4 H ATOM 50184 H2 TIP3 5463 20.622 56.472 10.330 1.00 0.00 WT4 H ATOM 50185 OH2 TIP3 5464 69.524 80.041 8.429 1.00 0.00 WT4 O ATOM 50186 H1 TIP3 5464 68.740 79.808 8.926 1.00 0.00 WT4 H ATOM 50187 H2 TIP3 5464 69.391 79.640 7.570 1.00 0.00 WT4 H ATOM 50188 OH2 TIP3 5466 35.263 5.143 36.781 1.00 0.00 WT4 O ATOM 50189 H1 TIP3 5466 34.851 5.699 37.442 1.00 0.00 WT4 H ATOM 50190 H2 TIP3 5466 34.597 5.045 36.100 1.00 0.00 WT4 H ATOM 50191 OH2 TIP3 5481 28.112 64.074 50.041 1.00 0.00 WT4 O ATOM 50192 H1 TIP3 5481 28.881 64.254 50.582 1.00 0.00 WT4 H ATOM 50193 H2 TIP3 5481 28.242 63.179 49.729 1.00 0.00 WT4 H ATOM 50194 OH2 TIP3 5482 28.791 92.882 46.503 1.00 0.00 WT4 O ATOM 50195 H1 TIP3 5482 28.510 93.506 45.833 1.00 0.00 WT4 H ATOM 50196 H2 TIP3 5482 29.541 92.433 46.113 1.00 0.00 WT4 H ATOM 50197 OH2 TIP3 5484 38.860 55.781 37.901 1.00 0.00 WT4 O ATOM 50198 H1 TIP3 5484 38.444 56.617 38.113 1.00 0.00 WT4 H ATOM 50199 H2 TIP3 5484 39.798 55.967 37.924 1.00 0.00 WT4 H ATOM 50200 OH2 TIP3 5487 75.309 82.895 5.685 1.00 0.00 WT4 O ATOM 50201 H1 TIP3 5487 75.655 83.732 5.994 1.00 0.00 WT4 H ATOM 50202 H2 TIP3 5487 74.382 83.064 5.520 1.00 0.00 WT4 H ATOM 50203 OH2 TIP3 5504 85.155 48.809 -3.654 1.00 0.00 WT4 O ATOM 50204 H1 TIP3 5504 85.709 48.937 -2.884 1.00 0.00 WT4 H ATOM 50205 H2 TIP3 5504 84.269 48.998 -3.346 1.00 0.00 WT4 H ATOM 50206 OH2 TIP3 5526 85.060 79.638 52.979 1.00 0.00 WT4 O ATOM 50207 H1 TIP3 5526 84.724 80.474 52.657 1.00 0.00 WT4 H ATOM 50208 H2 TIP3 5526 85.945 79.581 52.620 1.00 0.00 WT4 H ATOM 50209 OH2 TIP3 5528 73.156 67.735 -18.570 1.00 0.00 WT4 O ATOM 50210 H1 TIP3 5528 73.940 68.118 -18.962 1.00 0.00 WT4 H ATOM 50211 H2 TIP3 5528 73.457 67.369 -17.738 1.00 0.00 WT4 H ATOM 50212 OH2 TIP3 5553 66.228 89.094 66.520 1.00 0.00 WT4 O ATOM 50213 H1 TIP3 5553 66.191 88.960 65.573 1.00 0.00 WT4 H ATOM 50214 H2 TIP3 5553 66.411 90.028 66.623 1.00 0.00 WT4 H ATOM 50215 OH2 TIP3 5650 36.190 61.175 50.495 1.00 0.00 WT4 O ATOM 50216 H1 TIP3 5650 36.697 61.576 49.789 1.00 0.00 WT4 H ATOM 50217 H2 TIP3 5650 36.833 60.674 50.997 1.00 0.00 WT4 H ATOM 50218 OH2 TIP3 5654 75.692 65.893 61.422 1.00 0.00 WT4 O ATOM 50219 H1 TIP3 5654 75.596 66.747 61.844 1.00 0.00 WT4 H ATOM 50220 H2 TIP3 5654 75.718 65.269 62.147 1.00 0.00 WT4 H ATOM 50221 OH2 TIP3 5669 79.490 87.459 -12.300 1.00 0.00 WT4 O ATOM 50222 H1 TIP3 5669 79.912 87.640 -13.139 1.00 0.00 WT4 H ATOM 50223 H2 TIP3 5669 79.619 86.521 -12.163 1.00 0.00 WT4 H ATOM 50224 OH2 TIP3 5676 86.121 34.311 63.527 1.00 0.00 WT4 O ATOM 50225 H1 TIP3 5676 86.796 34.780 64.017 1.00 0.00 WT4 H ATOM 50226 H2 TIP3 5676 85.647 34.996 63.056 1.00 0.00 WT4 H ATOM 50227 OH2 TIP3 5678 78.281 64.587 24.976 1.00 0.00 WT4 O ATOM 50228 H1 TIP3 5678 77.420 64.709 25.376 1.00 0.00 WT4 H ATOM 50229 H2 TIP3 5678 78.723 65.427 25.098 1.00 0.00 WT4 H ATOM 50230 OH2 TIP3 5679 50.813 29.242 42.947 1.00 0.00 WT4 O ATOM 50231 H1 TIP3 5679 50.225 29.853 42.502 1.00 0.00 WT4 H ATOM 50232 H2 TIP3 5679 51.166 28.694 42.245 1.00 0.00 WT4 H ATOM 50233 OH2 TIP3 5690 41.599 89.855 -4.814 1.00 0.00 WT4 O ATOM 50234 H1 TIP3 5690 42.502 90.080 -4.589 1.00 0.00 WT4 H ATOM 50235 H2 TIP3 5690 41.235 90.661 -5.180 1.00 0.00 WT4 H ATOM 50236 OH2 TIP3 5692 86.778 83.056 51.972 1.00 0.00 WT4 O ATOM 50237 H1 TIP3 5692 87.476 82.721 52.535 1.00 0.00 WT4 H ATOM 50238 H2 TIP3 5692 86.859 84.008 52.029 1.00 0.00 WT4 H ATOM 50239 OH2 TIP3 5697 71.513 3.205 5.326 1.00 0.00 WT4 O ATOM 50240 H1 TIP3 5697 71.565 4.022 4.829 1.00 0.00 WT4 H ATOM 50241 H2 TIP3 5697 71.613 3.473 6.239 1.00 0.00 WT4 H ATOM 50242 OH2 TIP3 5710 50.330 75.277 45.787 1.00 0.00 WT4 O ATOM 50243 H1 TIP3 5710 50.465 74.786 44.977 1.00 0.00 WT4 H ATOM 50244 H2 TIP3 5710 50.306 74.608 46.472 1.00 0.00 WT4 H ATOM 50245 OH2 TIP3 5711 39.515 14.829 28.007 1.00 0.00 WT4 O ATOM 50246 H1 TIP3 5711 39.493 14.701 28.955 1.00 0.00 WT4 H ATOM 50247 H2 TIP3 5711 40.434 15.006 27.810 1.00 0.00 WT4 H ATOM 50248 OH2 TIP3 5713 52.800 86.412 -7.735 1.00 0.00 WT4 O ATOM 50249 H1 TIP3 5713 51.986 85.916 -7.819 1.00 0.00 WT4 H ATOM 50250 H2 TIP3 5713 52.927 86.812 -8.596 1.00 0.00 WT4 H ATOM 50251 OH2 TIP3 5714 68.925 4.669 -16.225 1.00 0.00 WT4 O ATOM 50252 H1 TIP3 5714 68.031 4.608 -16.562 1.00 0.00 WT4 H ATOM 50253 H2 TIP3 5714 68.829 4.592 -15.276 1.00 0.00 WT4 H ATOM 50254 OH2 TIP3 5715 85.653 84.933 30.836 1.00 0.00 WT4 O ATOM 50255 H1 TIP3 5715 84.703 84.990 30.729 1.00 0.00 WT4 H ATOM 50256 H2 TIP3 5715 85.848 83.999 30.763 1.00 0.00 WT4 H ATOM 50257 OH2 TIP3 5720 20.208 1.574 -1.868 1.00 0.00 WT4 O ATOM 50258 H1 TIP3 5720 20.463 1.426 -0.958 1.00 0.00 WT4 H ATOM 50259 H2 TIP3 5720 21.033 1.565 -2.353 1.00 0.00 WT4 H ATOM 50260 OH2 TIP3 5734 73.612 26.783 52.323 1.00 0.00 WT4 O ATOM 50261 H1 TIP3 5734 74.437 26.833 51.839 1.00 0.00 WT4 H ATOM 50262 H2 TIP3 5734 72.961 27.150 51.725 1.00 0.00 WT4 H ATOM 50263 OH2 TIP3 5736 34.816 68.827 -9.779 1.00 0.00 WT4 O ATOM 50264 H1 TIP3 5736 34.261 68.419 -10.443 1.00 0.00 WT4 H ATOM 50265 H2 TIP3 5736 35.505 68.183 -9.613 1.00 0.00 WT4 H ATOM 50266 OH2 TIP3 5738 22.977 71.413 -15.856 1.00 0.00 WT4 O ATOM 50267 H1 TIP3 5738 23.227 71.274 -14.943 1.00 0.00 WT4 H ATOM 50268 H2 TIP3 5738 22.026 71.516 -15.831 1.00 0.00 WT4 H ATOM 50269 OH2 TIP3 5755 78.233 55.386 48.755 1.00 0.00 WT4 O ATOM 50270 H1 TIP3 5755 77.647 54.857 48.214 1.00 0.00 WT4 H ATOM 50271 H2 TIP3 5755 78.990 55.555 48.195 1.00 0.00 WT4 H ATOM 50272 OH2 TIP3 5756 38.733 88.795 33.887 1.00 0.00 WT4 O ATOM 50273 H1 TIP3 5756 37.935 88.309 34.094 1.00 0.00 WT4 H ATOM 50274 H2 TIP3 5756 39.330 88.596 34.608 1.00 0.00 WT4 H ATOM 50275 OH2 TIP3 5758 52.216 67.802 -18.693 1.00 0.00 WT4 O ATOM 50276 H1 TIP3 5758 51.817 67.169 -18.096 1.00 0.00 WT4 H ATOM 50277 H2 TIP3 5758 53.158 67.694 -18.562 1.00 0.00 WT4 H ATOM 50278 OH2 TIP3 5762 49.648 44.623 22.451 1.00 0.00 WT4 O ATOM 50279 H1 TIP3 5762 49.599 44.624 21.495 1.00 0.00 WT4 H ATOM 50280 H2 TIP3 5762 49.031 45.301 22.725 1.00 0.00 WT4 H ATOM 50281 OH2 TIP3 5764 65.678 9.241 -11.200 1.00 0.00 WT4 O ATOM 50282 H1 TIP3 5764 66.072 8.711 -10.507 1.00 0.00 WT4 H ATOM 50283 H2 TIP3 5764 65.103 9.851 -10.738 1.00 0.00 WT4 H ATOM 50284 OH2 TIP3 5767 72.175 74.192 9.325 1.00 0.00 WT4 O ATOM 50285 H1 TIP3 5767 71.345 73.720 9.398 1.00 0.00 WT4 H ATOM 50286 H2 TIP3 5767 72.845 73.513 9.405 1.00 0.00 WT4 H ATOM 50287 OH2 TIP3 5768 24.859 37.667 -0.969 1.00 0.00 WT4 O ATOM 50288 H1 TIP3 5768 24.861 38.624 -0.973 1.00 0.00 WT4 H ATOM 50289 H2 TIP3 5768 25.456 37.428 -0.260 1.00 0.00 WT4 H ATOM 50290 OH2 TIP3 5777 70.454 51.706 55.927 1.00 0.00 WT4 O ATOM 50291 H1 TIP3 5777 69.840 51.213 55.383 1.00 0.00 WT4 H ATOM 50292 H2 TIP3 5777 70.241 52.624 55.759 1.00 0.00 WT4 H ATOM 50293 OH2 TIP3 5778 25.754 76.604 42.331 1.00 0.00 WT4 O ATOM 50294 H1 TIP3 5778 26.385 76.901 42.986 1.00 0.00 WT4 H ATOM 50295 H2 TIP3 5778 25.868 77.207 41.597 1.00 0.00 WT4 H ATOM 50296 OH2 TIP3 5779 75.866 71.622 4.481 1.00 0.00 WT4 O ATOM 50297 H1 TIP3 5779 75.197 72.291 4.625 1.00 0.00 WT4 H ATOM 50298 H2 TIP3 5779 76.310 71.896 3.679 1.00 0.00 WT4 H ATOM 50299 OH2 TIP3 5780 38.913 32.065 4.445 1.00 0.00 WT4 O ATOM 50300 H1 TIP3 5780 39.297 32.640 5.107 1.00 0.00 WT4 H ATOM 50301 H2 TIP3 5780 38.899 31.201 4.857 1.00 0.00 WT4 H ATOM 50302 OH2 TIP3 5795 46.476 61.348 62.554 1.00 0.00 WT4 O ATOM 50303 H1 TIP3 5795 45.742 61.468 63.157 1.00 0.00 WT4 H ATOM 50304 H2 TIP3 5795 46.200 61.788 61.750 1.00 0.00 WT4 H ATOM 50305 OH2 TIP3 5797 73.100 76.934 34.370 1.00 0.00 WT4 O ATOM 50306 H1 TIP3 5797 73.238 77.007 35.315 1.00 0.00 WT4 H ATOM 50307 H2 TIP3 5797 73.959 76.701 34.019 1.00 0.00 WT4 H ATOM 50308 OH2 TIP3 5798 87.238 83.984 21.526 1.00 0.00 WT4 O ATOM 50309 H1 TIP3 5798 87.180 84.280 22.434 1.00 0.00 WT4 H ATOM 50310 H2 TIP3 5798 87.943 84.508 21.147 1.00 0.00 WT4 H ATOM 50311 OH2 TIP3 5799 76.308 3.373 7.425 1.00 0.00 WT4 O ATOM 50312 H1 TIP3 5799 77.058 3.601 6.876 1.00 0.00 WT4 H ATOM 50313 H2 TIP3 5799 75.665 3.011 6.815 1.00 0.00 WT4 H ATOM 50314 OH2 TIP3 5800 88.148 51.707 50.609 1.00 0.00 WT4 O ATOM 50315 H1 TIP3 5800 88.324 51.970 49.706 1.00 0.00 WT4 H ATOM 50316 H2 TIP3 5800 88.985 51.822 51.059 1.00 0.00 WT4 H ATOM 50317 OH2 TIP3 5801 86.801 68.388 -8.397 1.00 0.00 WT4 O ATOM 50318 H1 TIP3 5801 86.964 69.058 -7.733 1.00 0.00 WT4 H ATOM 50319 H2 TIP3 5801 87.502 68.510 -9.038 1.00 0.00 WT4 H ATOM 50320 OH2 TIP3 5802 81.138 65.763 57.846 1.00 0.00 WT4 O ATOM 50321 H1 TIP3 5802 81.447 65.179 58.539 1.00 0.00 WT4 H ATOM 50322 H2 TIP3 5802 81.878 65.833 57.243 1.00 0.00 WT4 H ATOM 50323 OH2 TIP3 5818 25.951 9.029 5.198 1.00 0.00 WT4 O ATOM 50324 H1 TIP3 5818 26.452 8.935 4.387 1.00 0.00 WT4 H ATOM 50325 H2 TIP3 5818 26.565 9.428 5.814 1.00 0.00 WT4 H ATOM 50326 OH2 TIP3 5819 80.491 3.798 51.389 1.00 0.00 WT4 O ATOM 50327 H1 TIP3 5819 80.417 2.853 51.524 1.00 0.00 WT4 H ATOM 50328 H2 TIP3 5819 81.374 3.923 51.043 1.00 0.00 WT4 H ATOM 50329 OH2 TIP3 5820 54.193 87.240 57.721 1.00 0.00 WT4 O ATOM 50330 H1 TIP3 5820 53.240 87.317 57.771 1.00 0.00 WT4 H ATOM 50331 H2 TIP3 5820 54.457 87.927 57.109 1.00 0.00 WT4 H ATOM 50332 OH2 TIP3 5821 89.907 88.964 27.598 1.00 0.00 WT4 O ATOM 50333 H1 TIP3 5821 89.288 88.359 27.190 1.00 0.00 WT4 H ATOM 50334 H2 TIP3 5821 89.687 89.819 27.227 1.00 0.00 WT4 H ATOM 50335 OH2 TIP3 5823 87.332 72.500 51.841 1.00 0.00 WT4 O ATOM 50336 H1 TIP3 5823 86.485 72.208 51.505 1.00 0.00 WT4 H ATOM 50337 H2 TIP3 5823 87.816 71.692 52.009 1.00 0.00 WT4 H ATOM 50338 OH2 TIP3 5828 52.286 77.407 -0.957 1.00 0.00 WT4 O ATOM 50339 H1 TIP3 5828 52.367 76.454 -0.977 1.00 0.00 WT4 H ATOM 50340 H2 TIP3 5828 52.388 77.638 -0.034 1.00 0.00 WT4 H ATOM 50341 OH2 TIP3 5836 30.226 5.007 60.357 1.00 0.00 WT4 O ATOM 50342 H1 TIP3 5836 30.703 4.361 60.878 1.00 0.00 WT4 H ATOM 50343 H2 TIP3 5836 30.876 5.683 60.160 1.00 0.00 WT4 H ATOM 50344 OH2 TIP3 5837 54.057 91.986 54.167 1.00 0.00 WT4 O ATOM 50345 H1 TIP3 5837 53.368 92.547 53.810 1.00 0.00 WT4 H ATOM 50346 H2 TIP3 5837 54.250 91.366 53.465 1.00 0.00 WT4 H ATOM 50347 OH2 TIP3 5839 90.127 14.785 52.035 1.00 0.00 WT4 O ATOM 50348 H1 TIP3 5839 90.786 14.971 51.366 1.00 0.00 WT4 H ATOM 50349 H2 TIP3 5839 89.666 15.615 52.155 1.00 0.00 WT4 H ATOM 50350 OH2 TIP3 5840 28.988 94.857 48.577 1.00 0.00 WT4 O ATOM 50351 H1 TIP3 5840 29.912 94.607 48.582 1.00 0.00 WT4 H ATOM 50352 H2 TIP3 5840 28.608 94.356 47.856 1.00 0.00 WT4 H ATOM 50353 OH2 TIP3 5841 87.140 0.893 -12.146 1.00 0.00 WT4 O ATOM 50354 H1 TIP3 5841 87.206 0.835 -13.099 1.00 0.00 WT4 H ATOM 50355 H2 TIP3 5841 87.336 0.008 -11.838 1.00 0.00 WT4 H ATOM 50356 OH2 TIP3 5843 83.274 96.647 54.031 1.00 0.00 WT4 O ATOM 50357 H1 TIP3 5843 83.983 97.104 54.483 1.00 0.00 WT4 H ATOM 50358 H2 TIP3 5843 82.660 96.411 54.726 1.00 0.00 WT4 H ATOM 50359 OH2 TIP3 5844 85.326 14.621 50.396 1.00 0.00 WT4 O ATOM 50360 H1 TIP3 5844 86.151 14.405 49.961 1.00 0.00 WT4 H ATOM 50361 H2 TIP3 5844 85.475 15.487 50.776 1.00 0.00 WT4 H ATOM 50362 OH2 TIP3 5846 49.885 71.665 34.045 1.00 0.00 WT4 O ATOM 50363 H1 TIP3 5846 50.825 71.796 33.916 1.00 0.00 WT4 H ATOM 50364 H2 TIP3 5846 49.770 70.715 34.028 1.00 0.00 WT4 H ATOM 50365 OH2 TIP3 5859 55.373 47.802 54.538 1.00 0.00 WT4 O ATOM 50366 H1 TIP3 5859 54.742 48.138 53.902 1.00 0.00 WT4 H ATOM 50367 H2 TIP3 5859 54.901 47.811 55.371 1.00 0.00 WT4 H ATOM 50368 OH2 TIP3 5860 45.975 78.962 -0.814 1.00 0.00 WT4 O ATOM 50369 H1 TIP3 5860 45.635 78.350 -0.161 1.00 0.00 WT4 H ATOM 50370 H2 TIP3 5860 46.579 78.439 -1.341 1.00 0.00 WT4 H ATOM 50371 OH2 TIP3 5861 58.648 85.215 51.864 1.00 0.00 WT4 O ATOM 50372 H1 TIP3 5861 58.960 84.367 52.181 1.00 0.00 WT4 H ATOM 50373 H2 TIP3 5861 58.479 85.076 50.932 1.00 0.00 WT4 H ATOM 50374 OH2 TIP3 5862 27.937 33.695 21.621 1.00 0.00 WT4 O ATOM 50375 H1 TIP3 5862 27.778 33.164 20.840 1.00 0.00 WT4 H ATOM 50376 H2 TIP3 5862 28.453 34.437 21.305 1.00 0.00 WT4 H ATOM 50377 OH2 TIP3 5863 57.853 93.890 -8.424 1.00 0.00 WT4 O ATOM 50378 H1 TIP3 5863 57.690 93.001 -8.739 1.00 0.00 WT4 H ATOM 50379 H2 TIP3 5863 58.788 94.030 -8.573 1.00 0.00 WT4 H ATOM 50380 OH2 TIP3 5865 74.624 51.878 -16.386 1.00 0.00 WT4 O ATOM 50381 H1 TIP3 5865 74.989 51.196 -16.950 1.00 0.00 WT4 H ATOM 50382 H2 TIP3 5865 74.658 52.673 -16.917 1.00 0.00 WT4 H ATOM 50383 OH2 TIP3 5866 66.581 81.119 12.143 1.00 0.00 WT4 O ATOM 50384 H1 TIP3 5866 66.206 80.281 11.873 1.00 0.00 WT4 H ATOM 50385 H2 TIP3 5866 66.426 81.159 13.086 1.00 0.00 WT4 H ATOM 50386 OH2 TIP3 5869 43.418 70.480 26.110 1.00 0.00 WT4 O ATOM 50387 H1 TIP3 5869 44.254 70.110 26.392 1.00 0.00 WT4 H ATOM 50388 H2 TIP3 5869 43.595 71.414 25.998 1.00 0.00 WT4 H ATOM 50389 OH2 TIP3 5881 27.682 35.297 25.045 1.00 0.00 WT4 O ATOM 50390 H1 TIP3 5881 26.776 35.562 24.887 1.00 0.00 WT4 H ATOM 50391 H2 TIP3 5881 27.870 34.661 24.355 1.00 0.00 WT4 H ATOM 50392 OH2 TIP3 5883 31.769 39.403 60.784 1.00 0.00 WT4 O ATOM 50393 H1 TIP3 5883 32.258 39.478 59.964 1.00 0.00 WT4 H ATOM 50394 H2 TIP3 5883 32.386 39.003 61.396 1.00 0.00 WT4 H ATOM 50395 OH2 TIP3 5884 90.077 1.695 48.846 1.00 0.00 WT4 O ATOM 50396 H1 TIP3 5884 90.733 1.009 48.722 1.00 0.00 WT4 H ATOM 50397 H2 TIP3 5884 89.668 1.487 49.685 1.00 0.00 WT4 H ATOM 50398 OH2 TIP3 5886 44.863 53.023 -7.030 1.00 0.00 WT4 O ATOM 50399 H1 TIP3 5886 44.454 53.784 -7.443 1.00 0.00 WT4 H ATOM 50400 H2 TIP3 5886 45.713 53.343 -6.726 1.00 0.00 WT4 H ATOM 50401 OH2 TIP3 5887 54.930 9.456 9.216 1.00 0.00 WT4 O ATOM 50402 H1 TIP3 5887 54.097 8.990 9.286 1.00 0.00 WT4 H ATOM 50403 H2 TIP3 5887 54.835 10.208 9.801 1.00 0.00 WT4 H ATOM 50404 OH2 TIP3 5889 61.637 13.149 36.488 1.00 0.00 WT4 O ATOM 50405 H1 TIP3 5889 61.971 12.432 35.949 1.00 0.00 WT4 H ATOM 50406 H2 TIP3 5889 61.152 13.703 35.876 1.00 0.00 WT4 H ATOM 50407 OH2 TIP3 5899 30.355 15.074 51.321 1.00 0.00 WT4 O ATOM 50408 H1 TIP3 5899 29.763 14.390 51.006 1.00 0.00 WT4 H ATOM 50409 H2 TIP3 5899 30.069 15.867 50.867 1.00 0.00 WT4 H ATOM 50410 OH2 TIP3 5901 46.531 60.011 7.537 1.00 0.00 WT4 O ATOM 50411 H1 TIP3 5901 47.449 60.095 7.794 1.00 0.00 WT4 H ATOM 50412 H2 TIP3 5901 46.087 59.712 8.331 1.00 0.00 WT4 H ATOM 50413 OH2 TIP3 5903 79.294 95.425 31.756 1.00 0.00 WT4 O ATOM 50414 H1 TIP3 5903 79.060 95.520 32.680 1.00 0.00 WT4 H ATOM 50415 H2 TIP3 5903 79.722 96.251 31.530 1.00 0.00 WT4 H ATOM 50416 OH2 TIP3 5905 80.912 5.821 -11.024 1.00 0.00 WT4 O ATOM 50417 H1 TIP3 5905 81.554 5.179 -11.326 1.00 0.00 WT4 H ATOM 50418 H2 TIP3 5905 80.372 5.343 -10.395 1.00 0.00 WT4 H ATOM 50419 OH2 TIP3 5906 36.691 86.569 54.902 1.00 0.00 WT4 O ATOM 50420 H1 TIP3 5906 36.436 86.290 55.782 1.00 0.00 WT4 H ATOM 50421 H2 TIP3 5906 37.403 87.192 55.045 1.00 0.00 WT4 H ATOM 50422 OH2 TIP3 5909 40.038 40.378 45.819 1.00 0.00 WT4 O ATOM 50423 H1 TIP3 5909 39.526 40.570 45.034 1.00 0.00 WT4 H ATOM 50424 H2 TIP3 5909 39.823 39.469 46.030 1.00 0.00 WT4 H ATOM 50425 OH2 TIP3 5911 74.569 30.713 -16.321 1.00 0.00 WT4 O ATOM 50426 H1 TIP3 5911 74.152 31.575 -16.335 1.00 0.00 WT4 H ATOM 50427 H2 TIP3 5911 74.142 30.228 -17.027 1.00 0.00 WT4 H ATOM 50428 OH2 TIP3 5920 88.297 85.232 -4.878 1.00 0.00 WT4 O ATOM 50429 H1 TIP3 5920 88.666 84.406 -5.192 1.00 0.00 WT4 H ATOM 50430 H2 TIP3 5920 88.815 85.447 -4.103 1.00 0.00 WT4 H ATOM 50431 OH2 TIP3 5926 85.758 86.531 47.346 1.00 0.00 WT4 O ATOM 50432 H1 TIP3 5926 85.467 87.086 46.622 1.00 0.00 WT4 H ATOM 50433 H2 TIP3 5926 86.094 85.742 46.922 1.00 0.00 WT4 H ATOM 50434 OH2 TIP3 5945 57.134 6.503 57.268 1.00 0.00 WT4 O ATOM 50435 H1 TIP3 5945 58.066 6.483 57.052 1.00 0.00 WT4 H ATOM 50436 H2 TIP3 5945 56.870 5.582 57.273 1.00 0.00 WT4 H ATOM 50437 OH2 TIP3 5947 31.113 71.855 25.419 1.00 0.00 WT4 O ATOM 50438 H1 TIP3 5947 31.612 71.061 25.225 1.00 0.00 WT4 H ATOM 50439 H2 TIP3 5947 31.238 71.992 26.358 1.00 0.00 WT4 H ATOM 50440 OH2 TIP3 5948 88.128 64.250 61.825 1.00 0.00 WT4 O ATOM 50441 H1 TIP3 5948 87.820 65.150 61.932 1.00 0.00 WT4 H ATOM 50442 H2 TIP3 5948 87.829 63.996 60.952 1.00 0.00 WT4 H ATOM 50443 OH2 TIP3 5949 51.086 29.487 49.264 1.00 0.00 WT4 O ATOM 50444 H1 TIP3 5949 50.828 28.796 48.653 1.00 0.00 WT4 H ATOM 50445 H2 TIP3 5949 51.290 29.023 50.077 1.00 0.00 WT4 H ATOM 50446 OH2 TIP3 5964 32.431 3.252 61.331 1.00 0.00 WT4 O ATOM 50447 H1 TIP3 5964 32.704 2.337 61.266 1.00 0.00 WT4 H ATOM 50448 H2 TIP3 5964 33.240 3.732 61.511 1.00 0.00 WT4 H ATOM 50449 OH2 TIP3 5965 71.716 48.132 52.088 1.00 0.00 WT4 O ATOM 50450 H1 TIP3 5965 70.888 48.609 52.027 1.00 0.00 WT4 H ATOM 50451 H2 TIP3 5965 72.373 48.810 52.248 1.00 0.00 WT4 H ATOM 50452 OH2 TIP3 5994 78.466 49.011 25.315 1.00 0.00 WT4 O ATOM 50453 H1 TIP3 5994 78.224 49.373 24.463 1.00 0.00 WT4 H ATOM 50454 H2 TIP3 5994 77.952 48.207 25.390 1.00 0.00 WT4 H ATOM 50455 OH2 TIP3 6019 79.134 7.306 -8.743 1.00 0.00 WT4 O ATOM 50456 H1 TIP3 6019 79.555 7.623 -9.543 1.00 0.00 WT4 H ATOM 50457 H2 TIP3 6019 79.177 8.048 -8.140 1.00 0.00 WT4 H ATOM 50458 OH2 TIP3 6090 66.631 71.407 58.790 1.00 0.00 WT4 O ATOM 50459 H1 TIP3 6090 66.316 71.553 59.682 1.00 0.00 WT4 H ATOM 50460 H2 TIP3 6090 66.510 72.250 58.352 1.00 0.00 WT4 H ATOM 50461 OH2 TIP3 6091 79.656 63.883 -10.562 1.00 0.00 WT4 O ATOM 50462 H1 TIP3 6091 79.296 63.001 -10.654 1.00 0.00 WT4 H ATOM 50463 H2 TIP3 6091 78.891 64.458 -10.590 1.00 0.00 WT4 H ATOM 50464 OH2 TIP3 6110 31.798 66.266 12.906 1.00 0.00 WT4 O ATOM 50465 H1 TIP3 6110 31.675 65.323 12.796 1.00 0.00 WT4 H ATOM 50466 H2 TIP3 6110 32.150 66.360 13.792 1.00 0.00 WT4 H ATOM 50467 OH2 TIP3 6134 48.402 21.354 65.048 1.00 0.00 WT4 O ATOM 50468 H1 TIP3 6134 49.341 21.185 64.981 1.00 0.00 WT4 H ATOM 50469 H2 TIP3 6134 48.037 21.009 64.233 1.00 0.00 WT4 H ATOM 50470 OH2 TIP3 6136 77.448 70.084 14.655 1.00 0.00 WT4 O ATOM 50471 H1 TIP3 6136 76.577 70.013 15.045 1.00 0.00 WT4 H ATOM 50472 H2 TIP3 6136 77.300 70.520 13.815 1.00 0.00 WT4 H ATOM 50473 OH2 TIP3 6138 56.823 48.881 2.979 1.00 0.00 WT4 O ATOM 50474 H1 TIP3 6138 57.692 49.269 3.082 1.00 0.00 WT4 H ATOM 50475 H2 TIP3 6138 56.219 49.621 3.050 1.00 0.00 WT4 H ATOM 50476 OH2 TIP3 6174 69.735 58.942 59.232 1.00 0.00 WT4 O ATOM 50477 H1 TIP3 6174 70.120 59.344 58.454 1.00 0.00 WT4 H ATOM 50478 H2 TIP3 6174 68.916 58.556 58.922 1.00 0.00 WT4 H ATOM 50479 OH2 TIP3 6176 78.569 16.571 -17.343 1.00 0.00 WT4 O ATOM 50480 H1 TIP3 6176 77.620 16.566 -17.216 1.00 0.00 WT4 H ATOM 50481 H2 TIP3 6176 78.691 16.914 -18.228 1.00 0.00 WT4 H ATOM 50482 OH2 TIP3 6177 49.912 65.116 55.398 1.00 0.00 WT4 O ATOM 50483 H1 TIP3 6177 49.992 65.001 56.345 1.00 0.00 WT4 H ATOM 50484 H2 TIP3 6177 50.584 64.544 55.028 1.00 0.00 WT4 H ATOM 50485 OH2 TIP3 6178 66.164 3.298 3.371 1.00 0.00 WT4 O ATOM 50486 H1 TIP3 6178 66.780 3.840 2.877 1.00 0.00 WT4 H ATOM 50487 H2 TIP3 6178 65.305 3.670 3.173 1.00 0.00 WT4 H ATOM 50488 OH2 TIP3 6179 58.473 60.836 27.226 1.00 0.00 WT4 O ATOM 50489 H1 TIP3 6179 57.560 60.990 26.981 1.00 0.00 WT4 H ATOM 50490 H2 TIP3 6179 58.515 59.900 27.418 1.00 0.00 WT4 H ATOM 50491 OH2 TIP3 6181 32.833 95.654 52.781 1.00 0.00 WT4 O ATOM 50492 H1 TIP3 6181 33.305 95.006 53.304 1.00 0.00 WT4 H ATOM 50493 H2 TIP3 6181 33.514 96.248 52.464 1.00 0.00 WT4 H ATOM 50494 OH2 TIP3 6183 77.429 82.390 -8.046 1.00 0.00 WT4 O ATOM 50495 H1 TIP3 6183 76.919 81.921 -8.707 1.00 0.00 WT4 H ATOM 50496 H2 TIP3 6183 76.787 82.935 -7.590 1.00 0.00 WT4 H ATOM 50497 OH2 TIP3 6195 60.007 95.331 57.337 1.00 0.00 WT4 O ATOM 50498 H1 TIP3 6195 59.808 96.083 56.778 1.00 0.00 WT4 H ATOM 50499 H2 TIP3 6195 59.217 94.792 57.304 1.00 0.00 WT4 H ATOM 50500 OH2 TIP3 6198 43.741 93.187 44.879 1.00 0.00 WT4 O ATOM 50501 H1 TIP3 6198 44.256 93.502 44.136 1.00 0.00 WT4 H ATOM 50502 H2 TIP3 6198 44.375 93.099 45.590 1.00 0.00 WT4 H ATOM 50503 OH2 TIP3 6200 68.673 65.134 18.977 1.00 0.00 WT4 O ATOM 50504 H1 TIP3 6200 69.114 65.155 19.826 1.00 0.00 WT4 H ATOM 50505 H2 TIP3 6200 67.894 64.597 19.124 1.00 0.00 WT4 H ATOM 50506 OH2 TIP3 6215 71.104 56.669 21.890 1.00 0.00 WT4 O ATOM 50507 H1 TIP3 6215 70.932 57.171 22.686 1.00 0.00 WT4 H ATOM 50508 H2 TIP3 6215 71.655 57.243 21.358 1.00 0.00 WT4 H ATOM 50509 OH2 TIP3 6216 48.738 80.369 61.775 1.00 0.00 WT4 O ATOM 50510 H1 TIP3 6216 49.174 79.573 62.081 1.00 0.00 WT4 H ATOM 50511 H2 TIP3 6216 49.418 81.042 61.808 1.00 0.00 WT4 H ATOM 50512 OH2 TIP3 6218 82.871 50.808 16.889 1.00 0.00 WT4 O ATOM 50513 H1 TIP3 6218 82.198 50.826 16.209 1.00 0.00 WT4 H ATOM 50514 H2 TIP3 6218 82.986 49.879 17.089 1.00 0.00 WT4 H ATOM 50515 OH2 TIP3 6219 32.166 61.626 -12.922 1.00 0.00 WT4 O ATOM 50516 H1 TIP3 6219 32.711 61.085 -12.350 1.00 0.00 WT4 H ATOM 50517 H2 TIP3 6219 32.770 62.275 -13.284 1.00 0.00 WT4 H ATOM 50518 OH2 TIP3 6220 80.893 0.919 31.594 1.00 0.00 WT4 O ATOM 50519 H1 TIP3 6220 81.766 0.801 31.968 1.00 0.00 WT4 H ATOM 50520 H2 TIP3 6220 80.873 1.834 31.315 1.00 0.00 WT4 H ATOM 50521 OH2 TIP3 6221 50.801 36.481 48.848 1.00 0.00 WT4 O ATOM 50522 H1 TIP3 6221 51.246 36.668 48.021 1.00 0.00 WT4 H ATOM 50523 H2 TIP3 6221 50.846 37.304 49.336 1.00 0.00 WT4 H ATOM 50524 OH2 TIP3 6225 20.968 47.898 1.383 1.00 0.00 WT4 O ATOM 50525 H1 TIP3 6225 20.366 48.629 1.241 1.00 0.00 WT4 H ATOM 50526 H2 TIP3 6225 20.889 47.700 2.316 1.00 0.00 WT4 H ATOM 50527 OH2 TIP3 6238 54.921 83.986 6.746 1.00 0.00 WT4 O ATOM 50528 H1 TIP3 6238 55.382 84.403 7.474 1.00 0.00 WT4 H ATOM 50529 H2 TIP3 6238 54.369 83.323 7.160 1.00 0.00 WT4 H ATOM 50530 OH2 TIP3 6240 36.160 73.716 -15.907 1.00 0.00 WT4 O ATOM 50531 H1 TIP3 6240 35.952 72.902 -16.366 1.00 0.00 WT4 H ATOM 50532 H2 TIP3 6240 36.004 73.518 -14.984 1.00 0.00 WT4 H ATOM 50533 OH2 TIP3 6241 36.759 76.976 41.341 1.00 0.00 WT4 O ATOM 50534 H1 TIP3 6241 37.458 76.334 41.221 1.00 0.00 WT4 H ATOM 50535 H2 TIP3 6241 36.073 76.700 40.734 1.00 0.00 WT4 H ATOM 50536 OH2 TIP3 6242 52.976 17.816 39.165 1.00 0.00 WT4 O ATOM 50537 H1 TIP3 6242 52.409 18.547 39.413 1.00 0.00 WT4 H ATOM 50538 H2 TIP3 6242 53.485 18.147 38.425 1.00 0.00 WT4 H ATOM 50539 OH2 TIP3 6243 53.827 15.161 25.073 1.00 0.00 WT4 O ATOM 50540 H1 TIP3 6243 53.187 15.657 25.584 1.00 0.00 WT4 H ATOM 50541 H2 TIP3 6243 53.318 14.780 24.357 1.00 0.00 WT4 H ATOM 50542 OH2 TIP3 6245 44.943 96.765 47.734 1.00 0.00 WT4 O ATOM 50543 H1 TIP3 6245 45.836 96.629 47.418 1.00 0.00 WT4 H ATOM 50544 H2 TIP3 6245 44.413 96.148 47.229 1.00 0.00 WT4 H ATOM 50545 OH2 TIP3 6246 50.586 6.753 58.708 1.00 0.00 WT4 O ATOM 50546 H1 TIP3 6246 49.917 6.762 58.024 1.00 0.00 WT4 H ATOM 50547 H2 TIP3 6246 50.098 6.606 59.519 1.00 0.00 WT4 H ATOM 50548 OH2 TIP3 6258 74.372 84.203 -18.067 1.00 0.00 WT4 O ATOM 50549 H1 TIP3 6258 74.809 85.002 -18.363 1.00 0.00 WT4 H ATOM 50550 H2 TIP3 6258 75.050 83.530 -18.104 1.00 0.00 WT4 H ATOM 50551 OH2 TIP3 6259 66.026 26.912 42.301 1.00 0.00 WT4 O ATOM 50552 H1 TIP3 6259 65.289 27.415 41.955 1.00 0.00 WT4 H ATOM 50553 H2 TIP3 6259 66.531 26.661 41.528 1.00 0.00 WT4 H ATOM 50554 OH2 TIP3 6261 49.442 5.111 -0.430 1.00 0.00 WT4 O ATOM 50555 H1 TIP3 6261 49.761 5.992 -0.233 1.00 0.00 WT4 H ATOM 50556 H2 TIP3 6261 48.488 5.191 -0.405 1.00 0.00 WT4 H ATOM 50557 OH2 TIP3 6263 26.357 17.081 32.108 1.00 0.00 WT4 O ATOM 50558 H1 TIP3 6263 25.612 16.499 31.954 1.00 0.00 WT4 H ATOM 50559 H2 TIP3 6263 26.605 17.388 31.236 1.00 0.00 WT4 H ATOM 50560 OH2 TIP3 6264 54.062 10.057 31.808 1.00 0.00 WT4 O ATOM 50561 H1 TIP3 6264 53.675 10.918 31.966 1.00 0.00 WT4 H ATOM 50562 H2 TIP3 6264 54.816 10.232 31.245 1.00 0.00 WT4 H ATOM 50563 OH2 TIP3 6269 59.192 80.147 57.843 1.00 0.00 WT4 O ATOM 50564 H1 TIP3 6269 58.609 79.754 57.194 1.00 0.00 WT4 H ATOM 50565 H2 TIP3 6269 58.770 79.968 58.683 1.00 0.00 WT4 H ATOM 50566 OH2 TIP3 6281 65.202 66.408 20.712 1.00 0.00 WT4 O ATOM 50567 H1 TIP3 6281 65.726 65.782 20.213 1.00 0.00 WT4 H ATOM 50568 H2 TIP3 6281 64.753 65.876 21.368 1.00 0.00 WT4 H ATOM 50569 OH2 TIP3 6283 71.197 3.410 54.042 1.00 0.00 WT4 O ATOM 50570 H1 TIP3 6283 71.689 3.493 54.859 1.00 0.00 WT4 H ATOM 50571 H2 TIP3 6283 71.584 2.653 53.604 1.00 0.00 WT4 H ATOM 50572 OH2 TIP3 6284 30.319 96.798 62.027 1.00 0.00 WT4 O ATOM 50573 H1 TIP3 6284 29.415 96.486 62.055 1.00 0.00 WT4 H ATOM 50574 H2 TIP3 6284 30.511 97.061 62.927 1.00 0.00 WT4 H ATOM 50575 OH2 TIP3 6285 33.067 60.184 66.127 1.00 0.00 WT4 O ATOM 50576 H1 TIP3 6285 33.702 60.179 66.844 1.00 0.00 WT4 H ATOM 50577 H2 TIP3 6285 32.215 60.217 66.561 1.00 0.00 WT4 H ATOM 50578 OH2 TIP3 6286 84.619 20.880 55.136 1.00 0.00 WT4 O ATOM 50579 H1 TIP3 6286 83.926 21.309 55.638 1.00 0.00 WT4 H ATOM 50580 H2 TIP3 6286 84.865 20.121 55.665 1.00 0.00 WT4 H ATOM 50581 OH2 TIP3 6288 33.083 62.092 -0.123 1.00 0.00 WT4 O ATOM 50582 H1 TIP3 6288 33.399 62.579 0.638 1.00 0.00 WT4 H ATOM 50583 H2 TIP3 6288 33.583 61.276 -0.111 1.00 0.00 WT4 H ATOM 50584 OH2 TIP3 6297 55.452 85.264 41.778 1.00 0.00 WT4 O ATOM 50585 H1 TIP3 6297 55.484 86.076 41.271 1.00 0.00 WT4 H ATOM 50586 H2 TIP3 6297 54.522 85.041 41.815 1.00 0.00 WT4 H ATOM 50587 OH2 TIP3 6300 78.202 81.593 37.569 1.00 0.00 WT4 O ATOM 50588 H1 TIP3 6300 78.240 82.549 37.595 1.00 0.00 WT4 H ATOM 50589 H2 TIP3 6300 77.267 81.389 37.598 1.00 0.00 WT4 H ATOM 50590 OH2 TIP3 6303 51.685 60.125 49.937 1.00 0.00 WT4 O ATOM 50591 H1 TIP3 6303 52.458 60.415 49.453 1.00 0.00 WT4 H ATOM 50592 H2 TIP3 6303 50.945 60.477 49.441 1.00 0.00 WT4 H ATOM 50593 OH2 TIP3 6305 53.698 13.837 34.633 1.00 0.00 WT4 O ATOM 50594 H1 TIP3 6305 52.801 13.513 34.723 1.00 0.00 WT4 H ATOM 50595 H2 TIP3 6305 53.713 14.646 35.145 1.00 0.00 WT4 H ATOM 50596 OH2 TIP3 6309 76.092 10.652 3.200 1.00 0.00 WT4 O ATOM 50597 H1 TIP3 6309 76.270 10.654 4.141 1.00 0.00 WT4 H ATOM 50598 H2 TIP3 6309 76.676 9.981 2.847 1.00 0.00 WT4 H ATOM 50599 OH2 TIP3 6311 86.516 10.207 45.646 1.00 0.00 WT4 O ATOM 50600 H1 TIP3 6311 85.994 10.708 46.273 1.00 0.00 WT4 H ATOM 50601 H2 TIP3 6311 86.735 9.398 46.109 1.00 0.00 WT4 H ATOM 50602 OH2 TIP3 6319 87.651 57.526 34.977 1.00 0.00 WT4 O ATOM 50603 H1 TIP3 6319 87.257 56.809 35.473 1.00 0.00 WT4 H ATOM 50604 H2 TIP3 6319 86.964 57.804 34.371 1.00 0.00 WT4 H ATOM 50605 OH2 TIP3 6321 56.825 13.916 -10.396 1.00 0.00 WT4 O ATOM 50606 H1 TIP3 6321 56.836 13.001 -10.115 1.00 0.00 WT4 H ATOM 50607 H2 TIP3 6321 57.470 14.347 -9.835 1.00 0.00 WT4 H ATOM 50608 OH2 TIP3 6322 72.847 0.643 -12.564 1.00 0.00 WT4 O ATOM 50609 H1 TIP3 6322 72.417 0.075 -11.924 1.00 0.00 WT4 H ATOM 50610 H2 TIP3 6322 73.013 0.074 -13.316 1.00 0.00 WT4 H ATOM 50611 OH2 TIP3 6323 55.244 17.899 -5.545 1.00 0.00 WT4 O ATOM 50612 H1 TIP3 6323 55.073 17.620 -4.646 1.00 0.00 WT4 H ATOM 50613 H2 TIP3 6323 55.752 17.182 -5.926 1.00 0.00 WT4 H ATOM 50614 OH2 TIP3 6325 33.053 56.193 36.252 1.00 0.00 WT4 O ATOM 50615 H1 TIP3 6325 33.782 56.784 36.438 1.00 0.00 WT4 H ATOM 50616 H2 TIP3 6325 32.592 56.604 35.520 1.00 0.00 WT4 H ATOM 50617 OH2 TIP3 6328 76.767 73.047 2.367 1.00 0.00 WT4 O ATOM 50618 H1 TIP3 6328 77.038 73.675 3.037 1.00 0.00 WT4 H ATOM 50619 H2 TIP3 6328 76.003 73.450 1.955 1.00 0.00 WT4 H ATOM 50620 OH2 TIP3 6329 74.934 23.375 -15.628 1.00 0.00 WT4 O ATOM 50621 H1 TIP3 6329 75.605 23.567 -16.283 1.00 0.00 WT4 H ATOM 50622 H2 TIP3 6329 75.422 23.043 -14.875 1.00 0.00 WT4 H ATOM 50623 OH2 TIP3 6345 54.595 84.696 50.169 1.00 0.00 WT4 O ATOM 50624 H1 TIP3 6345 55.044 84.783 49.329 1.00 0.00 WT4 H ATOM 50625 H2 TIP3 6345 54.040 83.922 50.066 1.00 0.00 WT4 H ATOM 50626 OH2 TIP3 6347 38.460 96.896 1.858 1.00 0.00 WT4 O ATOM 50627 H1 TIP3 6347 38.260 96.782 2.787 1.00 0.00 WT4 H ATOM 50628 H2 TIP3 6347 38.374 96.019 1.485 1.00 0.00 WT4 H ATOM 50629 OH2 TIP3 6348 86.850 40.217 67.042 1.00 0.00 WT4 O ATOM 50630 H1 TIP3 6348 86.829 40.440 67.972 1.00 0.00 WT4 H ATOM 50631 H2 TIP3 6348 86.972 41.055 66.596 1.00 0.00 WT4 H ATOM 50632 OH2 TIP3 6353 20.866 93.411 -12.607 1.00 0.00 WT4 O ATOM 50633 H1 TIP3 6353 20.790 93.460 -11.654 1.00 0.00 WT4 H ATOM 50634 H2 TIP3 6353 21.750 93.728 -12.793 1.00 0.00 WT4 H ATOM 50635 OH2 TIP3 6357 65.117 84.166 43.977 1.00 0.00 WT4 O ATOM 50636 H1 TIP3 6357 65.795 83.611 44.363 1.00 0.00 WT4 H ATOM 50637 H2 TIP3 6357 65.205 85.003 44.433 1.00 0.00 WT4 H ATOM 50638 OH2 TIP3 6364 58.766 15.975 -3.637 1.00 0.00 WT4 O ATOM 50639 H1 TIP3 6364 58.665 16.824 -4.068 1.00 0.00 WT4 H ATOM 50640 H2 TIP3 6364 59.109 16.187 -2.769 1.00 0.00 WT4 H ATOM 50641 OH2 TIP3 6366 25.084 51.726 10.075 1.00 0.00 WT4 O ATOM 50642 H1 TIP3 6366 25.536 51.134 9.474 1.00 0.00 WT4 H ATOM 50643 H2 TIP3 6366 24.783 52.446 9.521 1.00 0.00 WT4 H ATOM 50644 OH2 TIP3 6369 54.755 72.185 -13.309 1.00 0.00 WT4 O ATOM 50645 H1 TIP3 6369 54.042 71.618 -13.603 1.00 0.00 WT4 H ATOM 50646 H2 TIP3 6369 55.430 71.581 -13.000 1.00 0.00 WT4 H ATOM 50647 OH2 TIP3 6381 35.600 54.337 33.191 1.00 0.00 WT4 O ATOM 50648 H1 TIP3 6381 36.144 54.568 33.944 1.00 0.00 WT4 H ATOM 50649 H2 TIP3 6381 35.698 55.076 32.589 1.00 0.00 WT4 H ATOM 50650 OH2 TIP3 6388 59.266 40.634 42.872 1.00 0.00 WT4 O ATOM 50651 H1 TIP3 6388 60.186 40.572 42.615 1.00 0.00 WT4 H ATOM 50652 H2 TIP3 6388 58.784 40.614 42.046 1.00 0.00 WT4 H ATOM 50653 OH2 TIP3 6390 60.442 27.559 48.277 1.00 0.00 WT4 O ATOM 50654 H1 TIP3 6390 59.648 27.549 48.811 1.00 0.00 WT4 H ATOM 50655 H2 TIP3 6390 61.063 27.013 48.759 1.00 0.00 WT4 H ATOM 50656 OH2 TIP3 6403 84.220 70.167 62.741 1.00 0.00 WT4 O ATOM 50657 H1 TIP3 6403 83.285 69.976 62.665 1.00 0.00 WT4 H ATOM 50658 H2 TIP3 6403 84.571 70.005 61.866 1.00 0.00 WT4 H ATOM 50659 OH2 TIP3 6417 80.583 96.423 5.430 1.00 0.00 WT4 O ATOM 50660 H1 TIP3 6417 81.345 96.398 6.008 1.00 0.00 WT4 H ATOM 50661 H2 TIP3 6417 80.950 96.401 4.546 1.00 0.00 WT4 H ATOM 50662 OH2 TIP3 6428 55.538 96.051 52.731 1.00 0.00 WT4 O ATOM 50663 H1 TIP3 6428 55.857 95.155 52.623 1.00 0.00 WT4 H ATOM 50664 H2 TIP3 6428 56.169 96.590 52.254 1.00 0.00 WT4 H ATOM 50665 OH2 TIP3 6429 66.753 28.064 51.718 1.00 0.00 WT4 O ATOM 50666 H1 TIP3 6429 67.409 28.689 52.028 1.00 0.00 WT4 H ATOM 50667 H2 TIP3 6429 65.914 28.484 51.906 1.00 0.00 WT4 H ATOM 50668 OH2 TIP3 6492 20.794 19.961 -5.557 1.00 0.00 WT4 O ATOM 50669 H1 TIP3 6492 20.377 20.682 -5.084 1.00 0.00 WT4 H ATOM 50670 H2 TIP3 6492 21.720 20.025 -5.323 1.00 0.00 WT4 H ATOM 50671 OH2 TIP3 6499 59.017 90.557 43.446 1.00 0.00 WT4 O ATOM 50672 H1 TIP3 6499 59.242 90.014 42.690 1.00 0.00 WT4 H ATOM 50673 H2 TIP3 6499 58.321 90.074 43.890 1.00 0.00 WT4 H ATOM 50674 OH2 TIP3 6536 53.744 15.024 56.656 1.00 0.00 WT4 O ATOM 50675 H1 TIP3 6536 53.541 15.836 56.193 1.00 0.00 WT4 H ATOM 50676 H2 TIP3 6536 52.890 14.658 56.884 1.00 0.00 WT4 H ATOM 50677 OH2 TIP3 6551 62.152 40.734 39.535 1.00 0.00 WT4 O ATOM 50678 H1 TIP3 6551 61.486 40.772 38.849 1.00 0.00 WT4 H ATOM 50679 H2 TIP3 6551 62.952 40.474 39.079 1.00 0.00 WT4 H ATOM 50680 OH2 TIP3 6555 28.387 91.040 7.886 1.00 0.00 WT4 O ATOM 50681 H1 TIP3 6555 27.862 90.820 7.117 1.00 0.00 WT4 H ATOM 50682 H2 TIP3 6555 28.606 91.965 7.771 1.00 0.00 WT4 H ATOM 50683 OH2 TIP3 6575 86.995 40.272 -16.947 1.00 0.00 WT4 O ATOM 50684 H1 TIP3 6575 87.029 39.316 -16.981 1.00 0.00 WT4 H ATOM 50685 H2 TIP3 6575 86.061 40.478 -16.916 1.00 0.00 WT4 H ATOM 50686 OH2 TIP3 6577 37.299 2.754 15.791 1.00 0.00 WT4 O ATOM 50687 H1 TIP3 6577 37.484 2.793 14.853 1.00 0.00 WT4 H ATOM 50688 H2 TIP3 6577 37.743 1.961 16.091 1.00 0.00 WT4 H ATOM 50689 OH2 TIP3 6579 78.985 62.639 51.941 1.00 0.00 WT4 O ATOM 50690 H1 TIP3 6579 79.317 61.818 51.579 1.00 0.00 WT4 H ATOM 50691 H2 TIP3 6579 78.040 62.601 51.793 1.00 0.00 WT4 H ATOM 50692 OH2 TIP3 6595 72.112 31.475 39.945 1.00 0.00 WT4 O ATOM 50693 H1 TIP3 6595 72.077 31.961 39.121 1.00 0.00 WT4 H ATOM 50694 H2 TIP3 6595 71.351 30.894 39.913 1.00 0.00 WT4 H ATOM 50695 OH2 TIP3 6597 40.839 91.648 47.327 1.00 0.00 WT4 O ATOM 50696 H1 TIP3 6597 41.432 92.301 46.956 1.00 0.00 WT4 H ATOM 50697 H2 TIP3 6597 41.415 90.950 47.638 1.00 0.00 WT4 H ATOM 50698 OH2 TIP3 6602 28.659 92.739 -11.866 1.00 0.00 WT4 O ATOM 50699 H1 TIP3 6602 27.894 92.536 -12.404 1.00 0.00 WT4 H ATOM 50700 H2 TIP3 6602 29.284 93.133 -12.475 1.00 0.00 WT4 H ATOM 50701 OH2 TIP3 6603 66.113 91.461 59.308 1.00 0.00 WT4 O ATOM 50702 H1 TIP3 6603 65.772 90.976 60.059 1.00 0.00 WT4 H ATOM 50703 H2 TIP3 6603 66.587 92.198 59.693 1.00 0.00 WT4 H ATOM 50704 OH2 TIP3 6615 61.847 43.583 -2.581 1.00 0.00 WT4 O ATOM 50705 H1 TIP3 6615 62.544 42.988 -2.858 1.00 0.00 WT4 H ATOM 50706 H2 TIP3 6615 61.902 43.588 -1.625 1.00 0.00 WT4 H ATOM 50707 OH2 TIP3 6616 73.812 44.630 61.837 1.00 0.00 WT4 O ATOM 50708 H1 TIP3 6616 73.218 45.180 62.349 1.00 0.00 WT4 H ATOM 50709 H2 TIP3 6616 74.256 45.240 61.249 1.00 0.00 WT4 H ATOM 50710 OH2 TIP3 6618 50.284 92.139 -0.112 1.00 0.00 WT4 O ATOM 50711 H1 TIP3 6618 51.098 91.644 -0.015 1.00 0.00 WT4 H ATOM 50712 H2 TIP3 6618 49.980 92.279 0.785 1.00 0.00 WT4 H ATOM 50713 OH2 TIP3 6620 80.041 80.794 58.685 1.00 0.00 WT4 O ATOM 50714 H1 TIP3 6620 80.297 81.459 58.046 1.00 0.00 WT4 H ATOM 50715 H2 TIP3 6620 79.184 80.490 58.384 1.00 0.00 WT4 H ATOM 50716 OH2 TIP3 6621 29.469 46.650 58.636 1.00 0.00 WT4 O ATOM 50717 H1 TIP3 6621 28.953 46.794 57.843 1.00 0.00 WT4 H ATOM 50718 H2 TIP3 6621 29.414 47.479 59.112 1.00 0.00 WT4 H ATOM 50719 OH2 TIP3 6623 83.409 80.654 64.512 1.00 0.00 WT4 O ATOM 50720 H1 TIP3 6623 83.195 80.345 63.632 1.00 0.00 WT4 H ATOM 50721 H2 TIP3 6623 83.031 81.533 64.557 1.00 0.00 WT4 H ATOM 50722 OH2 TIP3 6637 23.397 58.650 -11.912 1.00 0.00 WT4 O ATOM 50723 H1 TIP3 6637 22.988 58.338 -12.720 1.00 0.00 WT4 H ATOM 50724 H2 TIP3 6637 24.331 58.481 -12.035 1.00 0.00 WT4 H ATOM 50725 OH2 TIP3 6639 70.861 79.443 -19.836 1.00 0.00 WT4 O ATOM 50726 H1 TIP3 6639 71.126 79.092 -20.686 1.00 0.00 WT4 H ATOM 50727 H2 TIP3 6639 71.683 79.574 -19.363 1.00 0.00 WT4 H ATOM 50728 OH2 TIP3 6640 85.570 61.323 -10.007 1.00 0.00 WT4 O ATOM 50729 H1 TIP3 6640 85.759 60.434 -9.708 1.00 0.00 WT4 H ATOM 50730 H2 TIP3 6640 85.764 61.877 -9.250 1.00 0.00 WT4 H ATOM 50731 OH2 TIP3 6641 26.521 66.366 -9.247 1.00 0.00 WT4 O ATOM 50732 H1 TIP3 6641 27.260 65.858 -9.583 1.00 0.00 WT4 H ATOM 50733 H2 TIP3 6641 25.992 65.731 -8.765 1.00 0.00 WT4 H ATOM 50734 OH2 TIP3 6645 88.599 39.034 62.874 1.00 0.00 WT4 O ATOM 50735 H1 TIP3 6645 88.631 38.724 63.779 1.00 0.00 WT4 H ATOM 50736 H2 TIP3 6645 88.921 38.295 62.356 1.00 0.00 WT4 H ATOM 50737 OH2 TIP3 6659 36.881 59.056 24.551 1.00 0.00 WT4 O ATOM 50738 H1 TIP3 6659 37.757 58.736 24.334 1.00 0.00 WT4 H ATOM 50739 H2 TIP3 6659 37.027 59.938 24.894 1.00 0.00 WT4 H ATOM 50740 OH2 TIP3 6660 71.501 69.588 24.235 1.00 0.00 WT4 O ATOM 50741 H1 TIP3 6660 71.181 70.175 24.920 1.00 0.00 WT4 H ATOM 50742 H2 TIP3 6660 71.896 68.857 24.710 1.00 0.00 WT4 H ATOM 50743 OH2 TIP3 6661 22.850 0.713 51.397 1.00 0.00 WT4 O ATOM 50744 H1 TIP3 6661 22.321 0.625 50.605 1.00 0.00 WT4 H ATOM 50745 H2 TIP3 6661 22.879 -0.170 51.766 1.00 0.00 WT4 H ATOM 50746 OH2 TIP3 6662 30.790 23.624 27.349 1.00 0.00 WT4 O ATOM 50747 H1 TIP3 6662 31.491 22.973 27.350 1.00 0.00 WT4 H ATOM 50748 H2 TIP3 6662 30.977 24.180 28.106 1.00 0.00 WT4 H ATOM 50749 OH2 TIP3 6664 81.374 31.762 16.058 1.00 0.00 WT4 O ATOM 50750 H1 TIP3 6664 81.030 30.950 15.686 1.00 0.00 WT4 H ATOM 50751 H2 TIP3 6664 81.321 31.633 17.005 1.00 0.00 WT4 H ATOM 50752 OH2 TIP3 6671 79.064 67.708 62.044 1.00 0.00 WT4 O ATOM 50753 H1 TIP3 6671 78.800 67.348 62.891 1.00 0.00 WT4 H ATOM 50754 H2 TIP3 6671 79.122 66.947 61.467 1.00 0.00 WT4 H ATOM 50755 OH2 TIP3 6679 77.423 22.313 4.932 1.00 0.00 WT4 O ATOM 50756 H1 TIP3 6679 76.771 22.710 5.509 1.00 0.00 WT4 H ATOM 50757 H2 TIP3 6679 77.632 22.998 4.297 1.00 0.00 WT4 H ATOM 50758 OH2 TIP3 6681 26.666 5.392 5.193 1.00 0.00 WT4 O ATOM 50759 H1 TIP3 6681 26.383 4.908 4.417 1.00 0.00 WT4 H ATOM 50760 H2 TIP3 6681 27.503 4.994 5.432 1.00 0.00 WT4 H ATOM 50761 OH2 TIP3 6684 31.980 6.327 32.342 1.00 0.00 WT4 O ATOM 50762 H1 TIP3 6684 31.589 5.573 31.901 1.00 0.00 WT4 H ATOM 50763 H2 TIP3 6684 31.233 6.828 32.669 1.00 0.00 WT4 H ATOM 50764 OH2 TIP3 6686 77.089 67.875 26.494 1.00 0.00 WT4 O ATOM 50765 H1 TIP3 6686 77.966 67.759 26.129 1.00 0.00 WT4 H ATOM 50766 H2 TIP3 6686 76.639 67.053 26.301 1.00 0.00 WT4 H ATOM 50767 OH2 TIP3 6698 59.684 51.381 65.631 1.00 0.00 WT4 O ATOM 50768 H1 TIP3 6698 59.318 52.256 65.762 1.00 0.00 WT4 H ATOM 50769 H2 TIP3 6698 59.520 51.187 64.708 1.00 0.00 WT4 H ATOM 50770 OH2 TIP3 6700 76.806 8.655 6.472 1.00 0.00 WT4 O ATOM 50771 H1 TIP3 6700 76.286 9.459 6.477 1.00 0.00 WT4 H ATOM 50772 H2 TIP3 6700 77.608 8.885 6.940 1.00 0.00 WT4 H ATOM 50773 OH2 TIP3 6701 81.134 61.721 -5.998 1.00 0.00 WT4 O ATOM 50774 H1 TIP3 6701 81.589 61.085 -5.446 1.00 0.00 WT4 H ATOM 50775 H2 TIP3 6701 81.835 62.208 -6.431 1.00 0.00 WT4 H ATOM 50776 OH2 TIP3 6703 84.450 51.081 47.090 1.00 0.00 WT4 O ATOM 50777 H1 TIP3 6703 83.646 50.609 46.872 1.00 0.00 WT4 H ATOM 50778 H2 TIP3 6703 84.986 50.440 47.555 1.00 0.00 WT4 H ATOM 50779 OH2 TIP3 6704 20.932 91.119 34.232 1.00 0.00 WT4 O ATOM 50780 H1 TIP3 6704 20.289 90.593 33.757 1.00 0.00 WT4 H ATOM 50781 H2 TIP3 6704 21.155 91.829 33.630 1.00 0.00 WT4 H ATOM 50782 OH2 TIP3 6705 54.030 89.172 -6.159 1.00 0.00 WT4 O ATOM 50783 H1 TIP3 6705 54.814 89.366 -6.673 1.00 0.00 WT4 H ATOM 50784 H2 TIP3 6705 53.439 89.904 -6.337 1.00 0.00 WT4 H ATOM 50785 OH2 TIP3 6706 40.981 85.581 46.358 1.00 0.00 WT4 O ATOM 50786 H1 TIP3 6706 40.733 85.628 47.281 1.00 0.00 WT4 H ATOM 50787 H2 TIP3 6706 40.157 85.686 45.882 1.00 0.00 WT4 H ATOM 50788 OH2 TIP3 6721 44.387 36.312 39.633 1.00 0.00 WT4 O ATOM 50789 H1 TIP3 6721 43.906 36.302 38.806 1.00 0.00 WT4 H ATOM 50790 H2 TIP3 6721 44.771 37.188 39.677 1.00 0.00 WT4 H ATOM 50791 OH2 TIP3 6722 55.216 26.622 32.878 1.00 0.00 WT4 O ATOM 50792 H1 TIP3 6722 55.683 25.887 33.275 1.00 0.00 WT4 H ATOM 50793 H2 TIP3 6722 54.919 26.288 32.031 1.00 0.00 WT4 H ATOM 50794 OH2 TIP3 6726 76.800 29.644 0.016 1.00 0.00 WT4 O ATOM 50795 H1 TIP3 6726 75.964 29.178 0.055 1.00 0.00 WT4 H ATOM 50796 H2 TIP3 6726 77.322 29.148 -0.614 1.00 0.00 WT4 H ATOM 50797 OH2 TIP3 6727 86.240 3.040 40.220 1.00 0.00 WT4 O ATOM 50798 H1 TIP3 6727 85.779 2.450 40.816 1.00 0.00 WT4 H ATOM 50799 H2 TIP3 6727 87.153 2.759 40.262 1.00 0.00 WT4 H ATOM 50800 OH2 TIP3 6730 42.741 95.313 46.600 1.00 0.00 WT4 O ATOM 50801 H1 TIP3 6730 42.073 95.260 47.283 1.00 0.00 WT4 H ATOM 50802 H2 TIP3 6730 42.585 94.544 46.052 1.00 0.00 WT4 H ATOM 50803 OH2 TIP3 6731 65.271 4.995 16.425 1.00 0.00 WT4 O ATOM 50804 H1 TIP3 6731 65.701 4.179 16.680 1.00 0.00 WT4 H ATOM 50805 H2 TIP3 6731 65.985 5.562 16.132 1.00 0.00 WT4 H ATOM 50806 OH2 TIP3 6740 28.073 1.628 63.765 1.00 0.00 WT4 O ATOM 50807 H1 TIP3 6740 28.454 2.237 64.396 1.00 0.00 WT4 H ATOM 50808 H2 TIP3 6740 27.810 0.871 64.289 1.00 0.00 WT4 H ATOM 50809 OH2 TIP3 6742 77.967 81.708 8.328 1.00 0.00 WT4 O ATOM 50810 H1 TIP3 6742 78.193 81.529 9.241 1.00 0.00 WT4 H ATOM 50811 H2 TIP3 6742 78.722 82.185 7.983 1.00 0.00 WT4 H ATOM 50812 OH2 TIP3 6743 30.512 83.854 20.462 1.00 0.00 WT4 O ATOM 50813 H1 TIP3 6743 29.566 83.989 20.497 1.00 0.00 WT4 H ATOM 50814 H2 TIP3 6743 30.621 82.904 20.517 1.00 0.00 WT4 H ATOM 50815 OH2 TIP3 6745 84.103 55.716 52.230 1.00 0.00 WT4 O ATOM 50816 H1 TIP3 6745 84.112 54.880 52.697 1.00 0.00 WT4 H ATOM 50817 H2 TIP3 6745 85.019 55.872 52.001 1.00 0.00 WT4 H ATOM 50818 OH2 TIP3 6750 74.136 14.025 -5.458 1.00 0.00 WT4 O ATOM 50819 H1 TIP3 6750 73.452 14.693 -5.409 1.00 0.00 WT4 H ATOM 50820 H2 TIP3 6750 74.558 14.175 -6.304 1.00 0.00 WT4 H ATOM 50821 OH2 TIP3 6762 65.666 68.546 -6.329 1.00 0.00 WT4 O ATOM 50822 H1 TIP3 6762 65.761 67.645 -6.638 1.00 0.00 WT4 H ATOM 50823 H2 TIP3 6762 64.900 68.524 -5.755 1.00 0.00 WT4 H ATOM 50824 OH2 TIP3 6763 88.905 8.650 -17.092 1.00 0.00 WT4 O ATOM 50825 H1 TIP3 6763 88.474 9.064 -16.345 1.00 0.00 WT4 H ATOM 50826 H2 TIP3 6763 88.334 8.842 -17.836 1.00 0.00 WT4 H ATOM 50827 OH2 TIP3 6765 35.381 90.277 -19.829 1.00 0.00 WT4 O ATOM 50828 H1 TIP3 6765 35.437 91.126 -20.268 1.00 0.00 WT4 H ATOM 50829 H2 TIP3 6765 36.255 89.899 -19.926 1.00 0.00 WT4 H ATOM 50830 OH2 TIP3 6767 21.264 74.590 19.906 1.00 0.00 WT4 O ATOM 50831 H1 TIP3 6767 20.513 74.573 19.312 1.00 0.00 WT4 H ATOM 50832 H2 TIP3 6767 20.967 75.108 20.654 1.00 0.00 WT4 H ATOM 50833 OH2 TIP3 6769 56.207 83.316 23.549 1.00 0.00 WT4 O ATOM 50834 H1 TIP3 6769 55.519 82.944 22.998 1.00 0.00 WT4 H ATOM 50835 H2 TIP3 6769 57.019 83.135 23.074 1.00 0.00 WT4 H ATOM 50836 OH2 TIP3 6770 56.039 38.979 41.086 1.00 0.00 WT4 O ATOM 50837 H1 TIP3 6770 56.833 38.851 40.566 1.00 0.00 WT4 H ATOM 50838 H2 TIP3 6770 55.709 39.835 40.813 1.00 0.00 WT4 H ATOM 50839 OH2 TIP3 6771 20.955 91.253 -1.309 1.00 0.00 WT4 O ATOM 50840 H1 TIP3 6771 21.278 91.920 -0.703 1.00 0.00 WT4 H ATOM 50841 H2 TIP3 6771 20.189 91.654 -1.720 1.00 0.00 WT4 H ATOM 50842 OH2 TIP3 6786 70.474 53.018 30.393 1.00 0.00 WT4 O ATOM 50843 H1 TIP3 6786 70.604 52.494 29.602 1.00 0.00 WT4 H ATOM 50844 H2 TIP3 6786 69.691 52.647 30.800 1.00 0.00 WT4 H ATOM 50845 OH2 TIP3 6788 81.404 2.431 42.050 1.00 0.00 WT4 O ATOM 50846 H1 TIP3 6788 82.217 2.848 41.763 1.00 0.00 WT4 H ATOM 50847 H2 TIP3 6788 80.784 2.603 41.342 1.00 0.00 WT4 H ATOM 50848 OH2 TIP3 6791 29.097 96.505 53.943 1.00 0.00 WT4 O ATOM 50849 H1 TIP3 6791 28.448 95.841 54.176 1.00 0.00 WT4 H ATOM 50850 H2 TIP3 6791 28.578 97.256 53.652 1.00 0.00 WT4 H ATOM 50851 OH2 TIP3 6792 37.415 31.410 -11.023 1.00 0.00 WT4 O ATOM 50852 H1 TIP3 6792 37.745 32.226 -11.399 1.00 0.00 WT4 H ATOM 50853 H2 TIP3 6792 37.772 30.724 -11.586 1.00 0.00 WT4 H ATOM 50854 OH2 TIP3 6803 25.306 33.654 20.502 1.00 0.00 WT4 O ATOM 50855 H1 TIP3 6803 25.006 34.337 21.103 1.00 0.00 WT4 H ATOM 50856 H2 TIP3 6803 25.893 34.108 19.898 1.00 0.00 WT4 H ATOM 50857 OH2 TIP3 6813 65.026 57.889 -9.784 1.00 0.00 WT4 O ATOM 50858 H1 TIP3 6813 64.845 57.887 -8.844 1.00 0.00 WT4 H ATOM 50859 H2 TIP3 6813 65.881 58.313 -9.862 1.00 0.00 WT4 H ATOM 50860 OH2 TIP3 6825 89.279 92.812 4.579 1.00 0.00 WT4 O ATOM 50861 H1 TIP3 6825 88.557 93.397 4.348 1.00 0.00 WT4 H ATOM 50862 H2 TIP3 6825 89.676 93.214 5.352 1.00 0.00 WT4 H ATOM 50863 OH2 TIP3 6826 49.446 0.054 -8.748 1.00 0.00 WT4 O ATOM 50864 H1 TIP3 6826 49.436 0.556 -9.563 1.00 0.00 WT4 H ATOM 50865 H2 TIP3 6826 48.630 -0.446 -8.764 1.00 0.00 WT4 H ATOM 50866 OH2 TIP3 6827 81.146 85.504 -2.425 1.00 0.00 WT4 O ATOM 50867 H1 TIP3 6827 82.000 85.732 -2.794 1.00 0.00 WT4 H ATOM 50868 H2 TIP3 6827 81.173 84.552 -2.329 1.00 0.00 WT4 H ATOM 50869 OH2 TIP3 6853 40.929 0.039 24.497 1.00 0.00 WT4 O ATOM 50870 H1 TIP3 6853 41.217 0.066 23.584 1.00 0.00 WT4 H ATOM 50871 H2 TIP3 6853 40.080 0.481 24.493 1.00 0.00 WT4 H ATOM 50872 OH2 TIP3 6855 86.100 7.963 40.532 1.00 0.00 WT4 O ATOM 50873 H1 TIP3 6855 85.174 7.849 40.747 1.00 0.00 WT4 H ATOM 50874 H2 TIP3 6855 86.558 7.821 41.360 1.00 0.00 WT4 H ATOM 50875 OH2 TIP3 6872 31.826 72.135 56.069 1.00 0.00 WT4 O ATOM 50876 H1 TIP3 6872 31.798 71.222 55.783 1.00 0.00 WT4 H ATOM 50877 H2 TIP3 6872 32.171 72.613 55.315 1.00 0.00 WT4 H ATOM 50878 OH2 TIP3 6896 66.188 58.994 24.898 1.00 0.00 WT4 O ATOM 50879 H1 TIP3 6896 65.342 59.062 24.456 1.00 0.00 WT4 H ATOM 50880 H2 TIP3 6896 66.708 58.420 24.335 1.00 0.00 WT4 H ATOM 50881 OH2 TIP3 6916 83.862 38.839 47.897 1.00 0.00 WT4 O ATOM 50882 H1 TIP3 6916 83.718 37.893 47.883 1.00 0.00 WT4 H ATOM 50883 H2 TIP3 6916 84.803 38.941 47.758 1.00 0.00 WT4 H ATOM 50884 OH2 TIP3 6952 51.388 87.582 57.893 1.00 0.00 WT4 O ATOM 50885 H1 TIP3 6952 50.757 87.112 57.348 1.00 0.00 WT4 H ATOM 50886 H2 TIP3 6952 51.351 88.485 57.577 1.00 0.00 WT4 H ATOM 50887 OH2 TIP3 6953 38.951 12.684 45.844 1.00 0.00 WT4 O ATOM 50888 H1 TIP3 6953 39.272 12.272 46.646 1.00 0.00 WT4 H ATOM 50889 H2 TIP3 6953 39.287 12.130 45.139 1.00 0.00 WT4 H ATOM 50890 OH2 TIP3 6955 42.619 69.875 10.820 1.00 0.00 WT4 O ATOM 50891 H1 TIP3 6955 43.311 70.503 10.616 1.00 0.00 WT4 H ATOM 50892 H2 TIP3 6955 43.046 69.215 11.365 1.00 0.00 WT4 H ATOM 50893 OH2 TIP3 6975 31.260 84.581 50.892 1.00 0.00 WT4 O ATOM 50894 H1 TIP3 6975 31.388 84.337 49.975 1.00 0.00 WT4 H ATOM 50895 H2 TIP3 6975 31.404 83.769 51.378 1.00 0.00 WT4 H ATOM 50896 OH2 TIP3 7017 86.064 89.106 23.629 1.00 0.00 WT4 O ATOM 50897 H1 TIP3 7017 85.297 88.614 23.337 1.00 0.00 WT4 H ATOM 50898 H2 TIP3 7017 86.790 88.488 23.550 1.00 0.00 WT4 H ATOM 50899 OH2 TIP3 7019 71.647 74.731 48.538 1.00 0.00 WT4 O ATOM 50900 H1 TIP3 7019 72.190 73.982 48.293 1.00 0.00 WT4 H ATOM 50901 H2 TIP3 7019 70.748 74.420 48.432 1.00 0.00 WT4 H ATOM 50902 OH2 TIP3 7020 88.832 64.896 12.044 1.00 0.00 WT4 O ATOM 50903 H1 TIP3 7020 89.634 65.236 11.649 1.00 0.00 WT4 H ATOM 50904 H2 TIP3 7020 88.319 64.571 11.304 1.00 0.00 WT4 H ATOM 50905 OH2 TIP3 7021 50.842 5.424 14.745 1.00 0.00 WT4 O ATOM 50906 H1 TIP3 7021 51.370 6.120 15.137 1.00 0.00 WT4 H ATOM 50907 H2 TIP3 7021 49.939 5.732 14.829 1.00 0.00 WT4 H ATOM 50908 OH2 TIP3 7023 73.408 56.574 0.359 1.00 0.00 WT4 O ATOM 50909 H1 TIP3 7023 73.408 57.531 0.372 1.00 0.00 WT4 H ATOM 50910 H2 TIP3 7023 72.814 56.325 1.068 1.00 0.00 WT4 H ATOM 50911 OH2 TIP3 7040 59.204 89.925 58.417 1.00 0.00 WT4 O ATOM 50912 H1 TIP3 7040 59.363 89.942 57.473 1.00 0.00 WT4 H ATOM 50913 H2 TIP3 7040 58.839 89.056 58.583 1.00 0.00 WT4 H ATOM 50914 OH2 TIP3 7041 39.758 7.837 55.342 1.00 0.00 WT4 O ATOM 50915 H1 TIP3 7041 39.585 8.442 54.621 1.00 0.00 WT4 H ATOM 50916 H2 TIP3 7041 39.058 7.186 55.282 1.00 0.00 WT4 H ATOM 50917 OH2 TIP3 7042 84.209 58.638 57.601 1.00 0.00 WT4 O ATOM 50918 H1 TIP3 7042 83.907 58.315 56.752 1.00 0.00 WT4 H ATOM 50919 H2 TIP3 7042 85.163 58.587 57.553 1.00 0.00 WT4 H ATOM 50920 OH2 TIP3 7043 38.043 13.332 7.443 1.00 0.00 WT4 O ATOM 50921 H1 TIP3 7043 37.983 14.047 6.810 1.00 0.00 WT4 H ATOM 50922 H2 TIP3 7043 37.385 12.700 7.154 1.00 0.00 WT4 H ATOM 50923 OH2 TIP3 7052 37.211 48.790 11.559 1.00 0.00 WT4 O ATOM 50924 H1 TIP3 7052 37.325 49.163 10.685 1.00 0.00 WT4 H ATOM 50925 H2 TIP3 7052 37.968 49.102 12.054 1.00 0.00 WT4 H ATOM 50926 OH2 TIP3 7058 28.637 52.194 58.291 1.00 0.00 WT4 O ATOM 50927 H1 TIP3 7058 29.428 52.036 57.776 1.00 0.00 WT4 H ATOM 50928 H2 TIP3 7058 28.797 53.033 58.725 1.00 0.00 WT4 H ATOM 50929 OH2 TIP3 7059 58.369 23.711 63.861 1.00 0.00 WT4 O ATOM 50930 H1 TIP3 7059 57.732 23.494 64.542 1.00 0.00 WT4 H ATOM 50931 H2 TIP3 7059 58.389 24.667 63.848 1.00 0.00 WT4 H ATOM 50932 OH2 TIP3 7062 63.093 79.277 -1.782 1.00 0.00 WT4 O ATOM 50933 H1 TIP3 7062 62.168 79.293 -2.026 1.00 0.00 WT4 H ATOM 50934 H2 TIP3 7062 63.259 78.370 -1.526 1.00 0.00 WT4 H ATOM 50935 OH2 TIP3 7063 79.111 95.197 23.165 1.00 0.00 WT4 O ATOM 50936 H1 TIP3 7063 78.337 95.359 23.705 1.00 0.00 WT4 H ATOM 50937 H2 TIP3 7063 78.764 95.053 22.285 1.00 0.00 WT4 H ATOM 50938 OH2 TIP3 7065 61.080 7.263 54.266 1.00 0.00 WT4 O ATOM 50939 H1 TIP3 7065 61.438 6.621 53.653 1.00 0.00 WT4 H ATOM 50940 H2 TIP3 7065 61.749 7.945 54.319 1.00 0.00 WT4 H ATOM 50941 OH2 TIP3 7076 41.978 54.869 66.683 1.00 0.00 WT4 O ATOM 50942 H1 TIP3 7076 41.512 55.295 65.963 1.00 0.00 WT4 H ATOM 50943 H2 TIP3 7076 42.709 55.455 66.876 1.00 0.00 WT4 H ATOM 50944 OH2 TIP3 7078 52.871 96.613 65.946 1.00 0.00 WT4 O ATOM 50945 H1 TIP3 7078 52.055 96.459 66.423 1.00 0.00 WT4 H ATOM 50946 H2 TIP3 7078 52.590 96.843 65.060 1.00 0.00 WT4 H ATOM 50947 OH2 TIP3 7081 25.376 83.271 50.471 1.00 0.00 WT4 O ATOM 50948 H1 TIP3 7081 25.748 84.020 50.937 1.00 0.00 WT4 H ATOM 50949 H2 TIP3 7081 24.517 83.142 50.872 1.00 0.00 WT4 H ATOM 50950 OH2 TIP3 7100 88.847 91.849 23.112 1.00 0.00 WT4 O ATOM 50951 H1 TIP3 7100 88.646 91.513 22.239 1.00 0.00 WT4 H ATOM 50952 H2 TIP3 7100 88.199 92.537 23.260 1.00 0.00 WT4 H ATOM 50953 OH2 TIP3 7101 67.303 19.968 64.947 1.00 0.00 WT4 O ATOM 50954 H1 TIP3 7101 67.958 19.608 64.349 1.00 0.00 WT4 H ATOM 50955 H2 TIP3 7101 67.807 20.272 65.701 1.00 0.00 WT4 H ATOM 50956 OH2 TIP3 7102 30.077 30.236 3.168 1.00 0.00 WT4 O ATOM 50957 H1 TIP3 7102 29.637 29.592 3.724 1.00 0.00 WT4 H ATOM 50958 H2 TIP3 7102 29.736 31.080 3.463 1.00 0.00 WT4 H ATOM 50959 OH2 TIP3 7104 88.608 1.262 -17.689 1.00 0.00 WT4 O ATOM 50960 H1 TIP3 7104 89.004 1.609 -18.489 1.00 0.00 WT4 H ATOM 50961 H2 TIP3 7104 88.510 0.325 -17.856 1.00 0.00 WT4 H ATOM 50962 OH2 TIP3 7121 29.801 63.479 61.773 1.00 0.00 WT4 O ATOM 50963 H1 TIP3 7121 29.105 64.130 61.687 1.00 0.00 WT4 H ATOM 50964 H2 TIP3 7121 29.903 63.362 62.718 1.00 0.00 WT4 H ATOM 50965 OH2 TIP3 7122 22.054 25.768 39.827 1.00 0.00 WT4 O ATOM 50966 H1 TIP3 7122 21.469 25.519 39.112 1.00 0.00 WT4 H ATOM 50967 H2 TIP3 7122 22.457 24.946 40.106 1.00 0.00 WT4 H ATOM 50968 OH2 TIP3 7123 46.501 90.725 48.500 1.00 0.00 WT4 O ATOM 50969 H1 TIP3 7123 47.423 90.715 48.757 1.00 0.00 WT4 H ATOM 50970 H2 TIP3 7123 46.021 90.677 49.327 1.00 0.00 WT4 H ATOM 50971 OH2 TIP3 7128 88.694 76.321 -4.883 1.00 0.00 WT4 O ATOM 50972 H1 TIP3 7128 89.134 76.422 -4.040 1.00 0.00 WT4 H ATOM 50973 H2 TIP3 7128 88.405 77.204 -5.111 1.00 0.00 WT4 H ATOM 50974 OH2 TIP3 7141 80.037 72.214 -3.220 1.00 0.00 WT4 O ATOM 50975 H1 TIP3 7141 79.819 72.448 -4.123 1.00 0.00 WT4 H ATOM 50976 H2 TIP3 7141 79.426 71.511 -3.000 1.00 0.00 WT4 H ATOM 50977 OH2 TIP3 7142 88.415 6.064 -16.316 1.00 0.00 WT4 O ATOM 50978 H1 TIP3 7142 88.752 6.188 -15.429 1.00 0.00 WT4 H ATOM 50979 H2 TIP3 7142 88.617 6.884 -16.767 1.00 0.00 WT4 H ATOM 50980 OH2 TIP3 7143 52.805 14.047 13.599 1.00 0.00 WT4 O ATOM 50981 H1 TIP3 7143 53.146 14.285 14.461 1.00 0.00 WT4 H ATOM 50982 H2 TIP3 7143 53.345 14.542 12.982 1.00 0.00 WT4 H ATOM 50983 OH2 TIP3 7144 45.246 83.141 9.235 1.00 0.00 WT4 O ATOM 50984 H1 TIP3 7144 45.844 83.695 9.737 1.00 0.00 WT4 H ATOM 50985 H2 TIP3 7144 44.931 83.706 8.529 1.00 0.00 WT4 H ATOM 50986 OH2 TIP3 7145 51.273 68.344 -3.387 1.00 0.00 WT4 O ATOM 50987 H1 TIP3 7145 52.137 68.444 -2.987 1.00 0.00 WT4 H ATOM 50988 H2 TIP3 7145 50.665 68.345 -2.648 1.00 0.00 WT4 H ATOM 50989 OH2 TIP3 7146 62.383 81.674 26.900 1.00 0.00 WT4 O ATOM 50990 H1 TIP3 7146 62.228 81.583 25.960 1.00 0.00 WT4 H ATOM 50991 H2 TIP3 7146 62.726 80.822 27.170 1.00 0.00 WT4 H ATOM 50992 OH2 TIP3 7147 58.888 88.827 14.559 1.00 0.00 WT4 O ATOM 50993 H1 TIP3 7147 59.468 89.274 15.176 1.00 0.00 WT4 H ATOM 50994 H2 TIP3 7147 59.266 87.953 14.465 1.00 0.00 WT4 H ATOM 50995 OH2 TIP3 7148 22.243 80.950 42.948 1.00 0.00 WT4 O ATOM 50996 H1 TIP3 7148 21.735 80.605 42.214 1.00 0.00 WT4 H ATOM 50997 H2 TIP3 7148 21.978 81.867 43.014 1.00 0.00 WT4 H ATOM 50998 OH2 TIP3 7161 89.822 61.464 -19.775 1.00 0.00 WT4 O ATOM 50999 H1 TIP3 7161 90.545 60.894 -19.513 1.00 0.00 WT4 H ATOM 51000 H2 TIP3 7161 90.176 62.350 -19.697 1.00 0.00 WT4 H ATOM 51001 OH2 TIP3 7166 31.268 70.689 -9.112 1.00 0.00 WT4 O ATOM 51002 H1 TIP3 7166 30.462 70.814 -9.613 1.00 0.00 WT4 H ATOM 51003 H2 TIP3 7166 31.895 70.345 -9.749 1.00 0.00 WT4 H ATOM 51004 OH2 TIP3 7181 73.683 67.611 14.487 1.00 0.00 WT4 O ATOM 51005 H1 TIP3 7181 73.948 66.706 14.320 1.00 0.00 WT4 H ATOM 51006 H2 TIP3 7181 72.788 67.541 14.819 1.00 0.00 WT4 H ATOM 51007 OH2 TIP3 7182 37.312 64.072 -1.377 1.00 0.00 WT4 O ATOM 51008 H1 TIP3 7182 36.986 63.656 -2.175 1.00 0.00 WT4 H ATOM 51009 H2 TIP3 7182 37.378 63.357 -0.744 1.00 0.00 WT4 H ATOM 51010 OH2 TIP3 7183 38.055 96.951 -11.096 1.00 0.00 WT4 O ATOM 51011 H1 TIP3 7183 38.466 96.122 -11.342 1.00 0.00 WT4 H ATOM 51012 H2 TIP3 7183 38.010 96.923 -10.141 1.00 0.00 WT4 H ATOM 51013 OH2 TIP3 7184 46.706 6.533 -13.203 1.00 0.00 WT4 O ATOM 51014 H1 TIP3 7184 47.270 7.166 -13.647 1.00 0.00 WT4 H ATOM 51015 H2 TIP3 7184 46.698 6.819 -12.289 1.00 0.00 WT4 H ATOM 51016 OH2 TIP3 7185 77.460 64.412 36.698 1.00 0.00 WT4 O ATOM 51017 H1 TIP3 7185 76.871 63.702 36.952 1.00 0.00 WT4 H ATOM 51018 H2 TIP3 7185 77.305 65.097 37.349 1.00 0.00 WT4 H ATOM 51019 OH2 TIP3 7186 62.033 11.769 54.818 1.00 0.00 WT4 O ATOM 51020 H1 TIP3 7186 61.093 11.926 54.913 1.00 0.00 WT4 H ATOM 51021 H2 TIP3 7186 62.091 10.994 54.259 1.00 0.00 WT4 H ATOM 51022 OH2 TIP3 7187 69.806 65.526 -15.945 1.00 0.00 WT4 O ATOM 51023 H1 TIP3 7187 70.267 65.514 -16.784 1.00 0.00 WT4 H ATOM 51024 H2 TIP3 7187 69.004 65.029 -16.105 1.00 0.00 WT4 H ATOM 51025 OH2 TIP3 7189 58.006 94.369 52.915 1.00 0.00 WT4 O ATOM 51026 H1 TIP3 7189 58.161 94.273 51.975 1.00 0.00 WT4 H ATOM 51027 H2 TIP3 7189 58.565 93.704 53.318 1.00 0.00 WT4 H ATOM 51028 OH2 TIP3 7200 59.645 88.453 20.111 1.00 0.00 WT4 O ATOM 51029 H1 TIP3 7200 60.039 88.286 19.255 1.00 0.00 WT4 H ATOM 51030 H2 TIP3 7200 59.001 89.142 19.949 1.00 0.00 WT4 H ATOM 51031 OH2 TIP3 7203 89.292 59.657 -7.819 1.00 0.00 WT4 O ATOM 51032 H1 TIP3 7203 88.817 59.496 -7.004 1.00 0.00 WT4 H ATOM 51033 H2 TIP3 7203 89.838 60.421 -7.631 1.00 0.00 WT4 H ATOM 51034 OH2 TIP3 7206 36.457 6.684 30.633 1.00 0.00 WT4 O ATOM 51035 H1 TIP3 7206 35.572 7.019 30.493 1.00 0.00 WT4 H ATOM 51036 H2 TIP3 7206 36.690 6.268 29.802 1.00 0.00 WT4 H ATOM 51037 OH2 TIP3 7209 24.267 90.425 27.665 1.00 0.00 WT4 O ATOM 51038 H1 TIP3 7209 24.446 89.568 27.278 1.00 0.00 WT4 H ATOM 51039 H2 TIP3 7209 23.336 90.400 27.885 1.00 0.00 WT4 H ATOM 51040 OH2 TIP3 7210 58.242 87.805 45.558 1.00 0.00 WT4 O ATOM 51041 H1 TIP3 7210 57.716 88.319 46.170 1.00 0.00 WT4 H ATOM 51042 H2 TIP3 7210 57.652 87.114 45.256 1.00 0.00 WT4 H ATOM 51043 OH2 TIP3 7211 35.595 42.453 -0.276 1.00 0.00 WT4 O ATOM 51044 H1 TIP3 7211 36.279 43.119 -0.340 1.00 0.00 WT4 H ATOM 51045 H2 TIP3 7211 35.313 42.312 -1.180 1.00 0.00 WT4 H ATOM 51046 OH2 TIP3 7213 83.513 9.108 -3.364 1.00 0.00 WT4 O ATOM 51047 H1 TIP3 7213 84.252 8.802 -2.839 1.00 0.00 WT4 H ATOM 51048 H2 TIP3 7213 83.903 9.706 -4.002 1.00 0.00 WT4 H ATOM 51049 OH2 TIP3 7222 61.135 27.207 -18.205 1.00 0.00 WT4 O ATOM 51050 H1 TIP3 7222 61.782 26.545 -18.447 1.00 0.00 WT4 H ATOM 51051 H2 TIP3 7222 61.606 27.799 -17.618 1.00 0.00 WT4 H ATOM 51052 OH2 TIP3 7227 31.079 4.658 -9.509 1.00 0.00 WT4 O ATOM 51053 H1 TIP3 7227 30.548 5.356 -9.124 1.00 0.00 WT4 H ATOM 51054 H2 TIP3 7227 30.737 3.854 -9.118 1.00 0.00 WT4 H ATOM 51055 OH2 TIP3 7228 80.453 73.631 56.981 1.00 0.00 WT4 O ATOM 51056 H1 TIP3 7228 81.226 73.289 57.430 1.00 0.00 WT4 H ATOM 51057 H2 TIP3 7228 80.800 74.276 56.364 1.00 0.00 WT4 H ATOM 51058 OH2 TIP3 7229 24.213 92.569 53.000 1.00 0.00 WT4 O ATOM 51059 H1 TIP3 7229 23.483 92.087 53.389 1.00 0.00 WT4 H ATOM 51060 H2 TIP3 7229 24.990 92.063 53.237 1.00 0.00 WT4 H ATOM 51061 OH2 TIP3 7230 82.517 69.012 1.726 1.00 0.00 WT4 O ATOM 51062 H1 TIP3 7230 81.604 69.280 1.830 1.00 0.00 WT4 H ATOM 51063 H2 TIP3 7230 82.717 68.527 2.526 1.00 0.00 WT4 H ATOM 51064 OH2 TIP3 7247 76.691 80.423 17.138 1.00 0.00 WT4 O ATOM 51065 H1 TIP3 7247 76.231 79.593 17.264 1.00 0.00 WT4 H ATOM 51066 H2 TIP3 7247 76.728 80.813 18.011 1.00 0.00 WT4 H ATOM 51067 OH2 TIP3 7248 52.120 15.261 -14.054 1.00 0.00 WT4 O ATOM 51068 H1 TIP3 7248 52.499 14.384 -14.004 1.00 0.00 WT4 H ATOM 51069 H2 TIP3 7248 52.875 15.844 -14.140 1.00 0.00 WT4 H ATOM 51070 OH2 TIP3 7249 30.218 7.993 -3.056 1.00 0.00 WT4 O ATOM 51071 H1 TIP3 7249 29.528 8.590 -2.766 1.00 0.00 WT4 H ATOM 51072 H2 TIP3 7249 30.938 8.142 -2.442 1.00 0.00 WT4 H ATOM 51073 OH2 TIP3 7250 29.382 77.391 -19.100 1.00 0.00 WT4 O ATOM 51074 H1 TIP3 7250 28.532 76.959 -19.020 1.00 0.00 WT4 H ATOM 51075 H2 TIP3 7250 29.364 78.081 -18.436 1.00 0.00 WT4 H ATOM 51076 OH2 TIP3 7253 59.332 85.961 -16.578 1.00 0.00 WT4 O ATOM 51077 H1 TIP3 7253 58.510 86.427 -16.736 1.00 0.00 WT4 H ATOM 51078 H2 TIP3 7253 59.821 86.056 -17.395 1.00 0.00 WT4 H ATOM 51079 OH2 TIP3 7254 22.280 23.445 57.161 1.00 0.00 WT4 O ATOM 51080 H1 TIP3 7254 21.331 23.561 57.109 1.00 0.00 WT4 H ATOM 51081 H2 TIP3 7254 22.433 23.119 58.048 1.00 0.00 WT4 H ATOM 51082 OH2 TIP3 7264 38.395 11.679 33.436 1.00 0.00 WT4 O ATOM 51083 H1 TIP3 7264 37.831 11.416 32.708 1.00 0.00 WT4 H ATOM 51084 H2 TIP3 7264 38.639 12.582 33.236 1.00 0.00 WT4 H ATOM 51085 OH2 TIP3 7267 74.438 20.257 -13.451 1.00 0.00 WT4 O ATOM 51086 H1 TIP3 7267 75.125 20.502 -14.071 1.00 0.00 WT4 H ATOM 51087 H2 TIP3 7267 74.508 19.305 -13.379 1.00 0.00 WT4 H ATOM 51088 OH2 TIP3 7270 54.893 77.656 50.988 1.00 0.00 WT4 O ATOM 51089 H1 TIP3 7270 55.681 77.811 51.509 1.00 0.00 WT4 H ATOM 51090 H2 TIP3 7270 55.024 76.787 50.608 1.00 0.00 WT4 H ATOM 51091 OH2 TIP3 7311 60.441 85.960 66.309 1.00 0.00 WT4 O ATOM 51092 H1 TIP3 7311 59.921 85.316 65.827 1.00 0.00 WT4 H ATOM 51093 H2 TIP3 7311 60.684 86.612 65.653 1.00 0.00 WT4 H ATOM 51094 OH2 TIP3 7312 28.701 19.282 54.502 1.00 0.00 WT4 O ATOM 51095 H1 TIP3 7312 29.487 19.827 54.456 1.00 0.00 WT4 H ATOM 51096 H2 TIP3 7312 29.003 18.405 54.262 1.00 0.00 WT4 H ATOM 51097 OH2 TIP3 7415 77.395 68.336 47.735 1.00 0.00 WT4 O ATOM 51098 H1 TIP3 7415 78.270 68.229 47.363 1.00 0.00 WT4 H ATOM 51099 H2 TIP3 7415 77.014 69.067 47.247 1.00 0.00 WT4 H ATOM 51100 OH2 TIP3 7418 68.839 10.946 -11.819 1.00 0.00 WT4 O ATOM 51101 H1 TIP3 7418 68.239 11.337 -12.454 1.00 0.00 WT4 H ATOM 51102 H2 TIP3 7418 68.354 10.205 -11.455 1.00 0.00 WT4 H ATOM 51103 OH2 TIP3 7435 40.229 12.103 21.665 1.00 0.00 WT4 O ATOM 51104 H1 TIP3 7435 39.838 12.138 20.791 1.00 0.00 WT4 H ATOM 51105 H2 TIP3 7435 41.159 12.272 21.518 1.00 0.00 WT4 H ATOM 51106 OH2 TIP3 7437 68.607 93.611 -7.323 1.00 0.00 WT4 O ATOM 51107 H1 TIP3 7437 68.240 93.081 -8.030 1.00 0.00 WT4 H ATOM 51108 H2 TIP3 7437 68.194 93.272 -6.529 1.00 0.00 WT4 H ATOM 51109 OH2 TIP3 7439 39.173 1.537 49.274 1.00 0.00 WT4 O ATOM 51110 H1 TIP3 7439 39.884 1.204 48.727 1.00 0.00 WT4 H ATOM 51111 H2 TIP3 7439 38.923 2.366 48.865 1.00 0.00 WT4 H ATOM 51112 OH2 TIP3 7455 42.155 5.089 0.587 1.00 0.00 WT4 O ATOM 51113 H1 TIP3 7455 42.103 5.451 1.472 1.00 0.00 WT4 H ATOM 51114 H2 TIP3 7455 41.328 4.623 0.470 1.00 0.00 WT4 H ATOM 51115 OH2 TIP3 7461 82.397 49.439 46.091 1.00 0.00 WT4 O ATOM 51116 H1 TIP3 7461 81.473 49.315 46.306 1.00 0.00 WT4 H ATOM 51117 H2 TIP3 7461 82.797 48.583 46.247 1.00 0.00 WT4 H ATOM 51118 OH2 TIP3 7479 89.994 52.413 63.000 1.00 0.00 WT4 O ATOM 51119 H1 TIP3 7479 89.971 52.756 62.107 1.00 0.00 WT4 H ATOM 51120 H2 TIP3 7479 90.916 52.468 63.255 1.00 0.00 WT4 H ATOM 51121 OH2 TIP3 7480 88.588 60.173 54.818 1.00 0.00 WT4 O ATOM 51122 H1 TIP3 7480 89.317 60.669 55.191 1.00 0.00 WT4 H ATOM 51123 H2 TIP3 7480 87.811 60.523 55.254 1.00 0.00 WT4 H ATOM 51124 OH2 TIP3 7481 42.827 72.792 31.753 1.00 0.00 WT4 O ATOM 51125 H1 TIP3 7481 43.620 72.720 32.284 1.00 0.00 WT4 H ATOM 51126 H2 TIP3 7481 43.063 72.396 30.914 1.00 0.00 WT4 H ATOM 51127 OH2 TIP3 7493 86.479 67.550 49.449 1.00 0.00 WT4 O ATOM 51128 H1 TIP3 7493 85.771 67.066 49.875 1.00 0.00 WT4 H ATOM 51129 H2 TIP3 7493 86.518 67.188 48.563 1.00 0.00 WT4 H ATOM 51130 OH2 TIP3 7498 62.128 84.131 -19.627 1.00 0.00 WT4 O ATOM 51131 H1 TIP3 7498 62.450 84.838 -19.067 1.00 0.00 WT4 H ATOM 51132 H2 TIP3 7498 61.470 84.547 -20.184 1.00 0.00 WT4 H ATOM 51133 OH2 TIP3 7500 27.908 29.962 56.474 1.00 0.00 WT4 O ATOM 51134 H1 TIP3 7500 28.843 29.996 56.674 1.00 0.00 WT4 H ATOM 51135 H2 TIP3 7500 27.479 29.949 57.330 1.00 0.00 WT4 H ATOM 51136 OH2 TIP3 7501 23.168 55.019 61.486 1.00 0.00 WT4 O ATOM 51137 H1 TIP3 7501 22.855 54.248 61.013 1.00 0.00 WT4 H ATOM 51138 H2 TIP3 7501 23.746 54.666 62.163 1.00 0.00 WT4 H ATOM 51139 OH2 TIP3 7503 24.217 2.159 48.756 1.00 0.00 WT4 O ATOM 51140 H1 TIP3 7503 23.711 2.345 49.547 1.00 0.00 WT4 H ATOM 51141 H2 TIP3 7503 25.130 2.205 49.040 1.00 0.00 WT4 H ATOM 51142 OH2 TIP3 7504 69.340 90.511 -5.893 1.00 0.00 WT4 O ATOM 51143 H1 TIP3 7504 69.051 89.612 -6.046 1.00 0.00 WT4 H ATOM 51144 H2 TIP3 7504 68.533 91.026 -5.894 1.00 0.00 WT4 H ATOM 51145 OH2 TIP3 7510 90.123 42.810 53.618 1.00 0.00 WT4 O ATOM 51146 H1 TIP3 7510 90.662 43.430 54.109 1.00 0.00 WT4 H ATOM 51147 H2 TIP3 7510 89.715 42.263 54.289 1.00 0.00 WT4 H ATOM 51148 OH2 TIP3 7519 84.955 61.879 16.938 1.00 0.00 WT4 O ATOM 51149 H1 TIP3 7519 85.816 61.492 16.777 1.00 0.00 WT4 H ATOM 51150 H2 TIP3 7519 85.117 62.823 16.959 1.00 0.00 WT4 H ATOM 51151 OH2 TIP3 7522 75.624 85.413 6.765 1.00 0.00 WT4 O ATOM 51152 H1 TIP3 7522 76.051 85.422 7.622 1.00 0.00 WT4 H ATOM 51153 H2 TIP3 7522 75.744 86.300 6.428 1.00 0.00 WT4 H ATOM 51154 OH2 TIP3 7523 50.760 52.941 -17.506 1.00 0.00 WT4 O ATOM 51155 H1 TIP3 7523 50.913 52.000 -17.428 1.00 0.00 WT4 H ATOM 51156 H2 TIP3 7523 51.610 53.304 -17.753 1.00 0.00 WT4 H ATOM 51157 OH2 TIP3 7525 42.895 77.721 6.543 1.00 0.00 WT4 O ATOM 51158 H1 TIP3 7525 43.647 77.163 6.344 1.00 0.00 WT4 H ATOM 51159 H2 TIP3 7525 42.337 77.182 7.103 1.00 0.00 WT4 H ATOM 51160 OH2 TIP3 7526 62.216 43.396 4.256 1.00 0.00 WT4 O ATOM 51161 H1 TIP3 7526 61.971 42.612 4.748 1.00 0.00 WT4 H ATOM 51162 H2 TIP3 7526 61.904 44.124 4.793 1.00 0.00 WT4 H ATOM 51163 OH2 TIP3 7541 45.645 15.307 60.787 1.00 0.00 WT4 O ATOM 51164 H1 TIP3 7541 45.643 14.360 60.646 1.00 0.00 WT4 H ATOM 51165 H2 TIP3 7541 46.092 15.663 60.020 1.00 0.00 WT4 H ATOM 51166 OH2 TIP3 7544 69.637 7.144 -6.942 1.00 0.00 WT4 O ATOM 51167 H1 TIP3 7544 69.272 7.873 -6.441 1.00 0.00 WT4 H ATOM 51168 H2 TIP3 7544 68.998 6.987 -7.637 1.00 0.00 WT4 H ATOM 51169 OH2 TIP3 7545 69.965 61.975 18.062 1.00 0.00 WT4 O ATOM 51170 H1 TIP3 7545 70.152 62.074 17.129 1.00 0.00 WT4 H ATOM 51171 H2 TIP3 7545 69.026 61.794 18.101 1.00 0.00 WT4 H ATOM 51172 OH2 TIP3 7559 83.558 26.357 42.255 1.00 0.00 WT4 O ATOM 51173 H1 TIP3 7559 83.753 26.075 41.362 1.00 0.00 WT4 H ATOM 51174 H2 TIP3 7559 82.768 26.891 42.171 1.00 0.00 WT4 H ATOM 51175 OH2 TIP3 7561 23.562 45.891 23.370 1.00 0.00 WT4 O ATOM 51176 H1 TIP3 7561 23.771 46.804 23.172 1.00 0.00 WT4 H ATOM 51177 H2 TIP3 7561 24.054 45.700 24.169 1.00 0.00 WT4 H ATOM 51178 OH2 TIP3 7563 73.980 63.127 24.030 1.00 0.00 WT4 O ATOM 51179 H1 TIP3 7563 73.508 62.296 24.094 1.00 0.00 WT4 H ATOM 51180 H2 TIP3 7563 73.354 63.783 24.336 1.00 0.00 WT4 H ATOM 51181 OH2 TIP3 7564 62.708 88.493 -19.578 1.00 0.00 WT4 O ATOM 51182 H1 TIP3 7564 63.530 88.004 -19.552 1.00 0.00 WT4 H ATOM 51183 H2 TIP3 7564 62.943 89.374 -19.288 1.00 0.00 WT4 H ATOM 51184 OH2 TIP3 7567 33.315 87.735 -9.984 1.00 0.00 WT4 O ATOM 51185 H1 TIP3 7567 32.836 88.123 -9.252 1.00 0.00 WT4 H ATOM 51186 H2 TIP3 7567 34.161 87.486 -9.612 1.00 0.00 WT4 H ATOM 51187 OH2 TIP3 7582 71.324 38.000 -17.651 1.00 0.00 WT4 O ATOM 51188 H1 TIP3 7582 71.818 38.415 -18.358 1.00 0.00 WT4 H ATOM 51189 H2 TIP3 7582 70.407 38.104 -17.906 1.00 0.00 WT4 H ATOM 51190 OH2 TIP3 7584 79.218 83.208 50.558 1.00 0.00 WT4 O ATOM 51191 H1 TIP3 7584 79.872 82.572 50.269 1.00 0.00 WT4 H ATOM 51192 H2 TIP3 7584 78.506 82.676 50.912 1.00 0.00 WT4 H ATOM 51193 OH2 TIP3 7586 34.977 18.278 26.395 1.00 0.00 WT4 O ATOM 51194 H1 TIP3 7586 34.599 19.114 26.124 1.00 0.00 WT4 H ATOM 51195 H2 TIP3 7586 34.297 17.633 26.199 1.00 0.00 WT4 H ATOM 51196 OH2 TIP3 7594 31.676 56.247 39.045 1.00 0.00 WT4 O ATOM 51197 H1 TIP3 7594 32.318 56.728 38.523 1.00 0.00 WT4 H ATOM 51198 H2 TIP3 7594 30.871 56.281 38.529 1.00 0.00 WT4 H ATOM 51199 OH2 TIP3 7602 62.438 35.700 30.916 1.00 0.00 WT4 O ATOM 51200 H1 TIP3 7602 61.720 36.136 30.456 1.00 0.00 WT4 H ATOM 51201 H2 TIP3 7602 63.195 36.268 30.772 1.00 0.00 WT4 H ATOM 51202 OH2 TIP3 7605 72.019 19.941 66.214 1.00 0.00 WT4 O ATOM 51203 H1 TIP3 7605 72.948 19.994 66.438 1.00 0.00 WT4 H ATOM 51204 H2 TIP3 7605 71.962 20.320 65.336 1.00 0.00 WT4 H ATOM 51205 OH2 TIP3 7608 78.458 34.992 64.044 1.00 0.00 WT4 O ATOM 51206 H1 TIP3 7608 78.725 34.302 64.652 1.00 0.00 WT4 H ATOM 51207 H2 TIP3 7608 79.114 35.679 64.159 1.00 0.00 WT4 H ATOM 51208 OH2 TIP3 7612 27.530 76.593 -16.870 1.00 0.00 WT4 O ATOM 51209 H1 TIP3 7612 27.193 77.219 -16.229 1.00 0.00 WT4 H ATOM 51210 H2 TIP3 7612 27.470 75.744 -16.431 1.00 0.00 WT4 H ATOM 51211 OH2 TIP3 7625 20.544 59.125 4.619 1.00 0.00 WT4 O ATOM 51212 H1 TIP3 7625 20.880 58.318 4.230 1.00 0.00 WT4 H ATOM 51213 H2 TIP3 7625 19.898 59.445 3.990 1.00 0.00 WT4 H ATOM 51214 OH2 TIP3 7626 76.923 88.950 59.161 1.00 0.00 WT4 O ATOM 51215 H1 TIP3 7626 77.384 88.212 58.764 1.00 0.00 WT4 H ATOM 51216 H2 TIP3 7626 76.005 88.680 59.178 1.00 0.00 WT4 H ATOM 51217 OH2 TIP3 7628 20.942 13.129 5.255 1.00 0.00 WT4 O ATOM 51218 H1 TIP3 7628 20.979 13.618 6.076 1.00 0.00 WT4 H ATOM 51219 H2 TIP3 7628 20.121 13.405 4.847 1.00 0.00 WT4 H ATOM 51220 OH2 TIP3 7629 66.434 71.360 50.939 1.00 0.00 WT4 O ATOM 51221 H1 TIP3 7629 65.903 71.945 51.479 1.00 0.00 WT4 H ATOM 51222 H2 TIP3 7629 65.797 70.812 50.481 1.00 0.00 WT4 H ATOM 51223 OH2 TIP3 7630 21.198 30.793 -17.849 1.00 0.00 WT4 O ATOM 51224 H1 TIP3 7630 22.020 31.062 -18.261 1.00 0.00 WT4 H ATOM 51225 H2 TIP3 7630 20.521 31.262 -18.337 1.00 0.00 WT4 H ATOM 51226 OH2 TIP3 7631 59.535 94.808 39.574 1.00 0.00 WT4 O ATOM 51227 H1 TIP3 7631 59.790 93.962 39.942 1.00 0.00 WT4 H ATOM 51228 H2 TIP3 7631 60.351 95.180 39.239 1.00 0.00 WT4 H ATOM 51229 OH2 TIP3 7643 43.375 2.904 -4.271 1.00 0.00 WT4 O ATOM 51230 H1 TIP3 7643 43.598 2.317 -3.549 1.00 0.00 WT4 H ATOM 51231 H2 TIP3 7643 42.994 2.331 -4.937 1.00 0.00 WT4 H ATOM 51232 OH2 TIP3 7644 39.984 52.878 -3.340 1.00 0.00 WT4 O ATOM 51233 H1 TIP3 7644 39.779 53.511 -4.028 1.00 0.00 WT4 H ATOM 51234 H2 TIP3 7644 39.155 52.430 -3.172 1.00 0.00 WT4 H ATOM 51235 OH2 TIP3 7645 46.806 56.482 54.999 1.00 0.00 WT4 O ATOM 51236 H1 TIP3 7645 46.940 57.388 55.275 1.00 0.00 WT4 H ATOM 51237 H2 TIP3 7645 45.999 56.505 54.484 1.00 0.00 WT4 H ATOM 51238 OH2 TIP3 7646 60.348 82.825 57.620 1.00 0.00 WT4 O ATOM 51239 H1 TIP3 7646 59.805 83.070 56.872 1.00 0.00 WT4 H ATOM 51240 H2 TIP3 7646 60.245 81.876 57.692 1.00 0.00 WT4 H ATOM 51241 OH2 TIP3 7647 28.345 22.136 15.670 1.00 0.00 WT4 O ATOM 51242 H1 TIP3 7647 28.421 22.692 16.446 1.00 0.00 WT4 H ATOM 51243 H2 TIP3 7647 28.806 22.616 14.983 1.00 0.00 WT4 H ATOM 51244 OH2 TIP3 7649 68.531 28.162 65.921 1.00 0.00 WT4 O ATOM 51245 H1 TIP3 7649 68.280 28.992 65.515 1.00 0.00 WT4 H ATOM 51246 H2 TIP3 7649 68.711 28.387 66.834 1.00 0.00 WT4 H ATOM 51247 OH2 TIP3 7650 56.749 15.845 14.227 1.00 0.00 WT4 O ATOM 51248 H1 TIP3 7650 56.445 15.968 13.328 1.00 0.00 WT4 H ATOM 51249 H2 TIP3 7650 55.956 15.906 14.759 1.00 0.00 WT4 H ATOM 51250 OH2 TIP3 7652 63.677 73.113 64.642 1.00 0.00 WT4 O ATOM 51251 H1 TIP3 7652 63.129 72.932 63.879 1.00 0.00 WT4 H ATOM 51252 H2 TIP3 7652 63.068 73.113 65.381 1.00 0.00 WT4 H ATOM 51253 OH2 TIP3 7653 85.060 32.560 54.821 1.00 0.00 WT4 O ATOM 51254 H1 TIP3 7653 85.986 32.442 55.034 1.00 0.00 WT4 H ATOM 51255 H2 TIP3 7653 84.624 31.805 55.217 1.00 0.00 WT4 H ATOM 51256 OH2 TIP3 7663 69.057 11.423 66.017 1.00 0.00 WT4 O ATOM 51257 H1 TIP3 7663 68.854 12.143 65.420 1.00 0.00 WT4 H ATOM 51258 H2 TIP3 7663 69.329 11.852 66.828 1.00 0.00 WT4 H ATOM 51259 OH2 TIP3 7668 59.696 74.371 35.238 1.00 0.00 WT4 O ATOM 51260 H1 TIP3 7668 59.218 73.542 35.226 1.00 0.00 WT4 H ATOM 51261 H2 TIP3 7668 59.948 74.516 34.326 1.00 0.00 WT4 H ATOM 51262 OH2 TIP3 7669 39.158 82.547 65.338 1.00 0.00 WT4 O ATOM 51263 H1 TIP3 7669 38.647 81.743 65.432 1.00 0.00 WT4 H ATOM 51264 H2 TIP3 7669 38.737 83.015 64.617 1.00 0.00 WT4 H ATOM 51265 OH2 TIP3 7670 62.289 80.780 17.120 1.00 0.00 WT4 O ATOM 51266 H1 TIP3 7670 61.373 80.925 16.881 1.00 0.00 WT4 H ATOM 51267 H2 TIP3 7670 62.253 80.451 18.018 1.00 0.00 WT4 H ATOM 51268 OH2 TIP3 7671 22.444 92.937 26.379 1.00 0.00 WT4 O ATOM 51269 H1 TIP3 7671 21.525 92.681 26.454 1.00 0.00 WT4 H ATOM 51270 H2 TIP3 7671 22.416 93.848 26.087 1.00 0.00 WT4 H ATOM 51271 OH2 TIP3 7686 29.148 59.357 61.780 1.00 0.00 WT4 O ATOM 51272 H1 TIP3 7686 29.457 59.028 60.935 1.00 0.00 WT4 H ATOM 51273 H2 TIP3 7686 29.100 58.580 62.337 1.00 0.00 WT4 H ATOM 51274 OH2 TIP3 7690 28.866 83.374 46.396 1.00 0.00 WT4 O ATOM 51275 H1 TIP3 7690 28.160 83.158 45.786 1.00 0.00 WT4 H ATOM 51276 H2 TIP3 7690 28.422 83.544 47.226 1.00 0.00 WT4 H ATOM 51277 OH2 TIP3 7691 59.047 71.415 -20.151 1.00 0.00 WT4 O ATOM 51278 H1 TIP3 7691 59.312 72.333 -20.211 1.00 0.00 WT4 H ATOM 51279 H2 TIP3 7691 59.058 71.224 -19.213 1.00 0.00 WT4 H ATOM 51280 OH2 TIP3 7694 76.141 84.302 58.306 1.00 0.00 WT4 O ATOM 51281 H1 TIP3 7694 75.390 84.792 58.642 1.00 0.00 WT4 H ATOM 51282 H2 TIP3 7694 76.014 84.286 57.358 1.00 0.00 WT4 H ATOM 51283 OH2 TIP3 7695 24.459 2.878 9.294 1.00 0.00 WT4 O ATOM 51284 H1 TIP3 7695 24.240 2.350 8.527 1.00 0.00 WT4 H ATOM 51285 H2 TIP3 7695 23.822 2.614 9.958 1.00 0.00 WT4 H ATOM 51286 OH2 TIP3 7696 41.180 94.316 32.885 1.00 0.00 WT4 O ATOM 51287 H1 TIP3 7696 40.229 94.424 32.869 1.00 0.00 WT4 H ATOM 51288 H2 TIP3 7696 41.488 94.993 33.488 1.00 0.00 WT4 H ATOM 51289 OH2 TIP3 7698 64.846 57.457 58.589 1.00 0.00 WT4 O ATOM 51290 H1 TIP3 7698 64.264 56.858 59.056 1.00 0.00 WT4 H ATOM 51291 H2 TIP3 7698 64.327 57.765 57.846 1.00 0.00 WT4 H ATOM 51292 OH2 TIP3 7705 73.050 91.923 66.048 1.00 0.00 WT4 O ATOM 51293 H1 TIP3 7705 72.825 92.191 66.939 1.00 0.00 WT4 H ATOM 51294 H2 TIP3 7705 73.870 91.439 66.144 1.00 0.00 WT4 H ATOM 51295 OH2 TIP3 7707 36.205 54.560 50.553 1.00 0.00 WT4 O ATOM 51296 H1 TIP3 7707 36.011 55.099 51.320 1.00 0.00 WT4 H ATOM 51297 H2 TIP3 7707 36.046 55.139 49.807 1.00 0.00 WT4 H ATOM 51298 OH2 TIP3 7708 56.667 92.221 28.495 1.00 0.00 WT4 O ATOM 51299 H1 TIP3 7708 57.449 92.747 28.331 1.00 0.00 WT4 H ATOM 51300 H2 TIP3 7708 56.522 91.746 27.677 1.00 0.00 WT4 H ATOM 51301 OH2 TIP3 7710 80.796 91.935 18.504 1.00 0.00 WT4 O ATOM 51302 H1 TIP3 7710 80.582 92.232 19.388 1.00 0.00 WT4 H ATOM 51303 H2 TIP3 7710 81.736 91.757 18.531 1.00 0.00 WT4 H ATOM 51304 OH2 TIP3 7712 45.124 37.981 53.010 1.00 0.00 WT4 O ATOM 51305 H1 TIP3 7712 44.917 37.551 52.180 1.00 0.00 WT4 H ATOM 51306 H2 TIP3 7712 44.822 38.882 52.896 1.00 0.00 WT4 H ATOM 51307 OH2 TIP3 7713 70.958 14.208 47.023 1.00 0.00 WT4 O ATOM 51308 H1 TIP3 7713 71.298 13.704 46.284 1.00 0.00 WT4 H ATOM 51309 H2 TIP3 7713 70.095 14.505 46.735 1.00 0.00 WT4 H ATOM 51310 OH2 TIP3 7716 24.871 89.219 -13.462 1.00 0.00 WT4 O ATOM 51311 H1 TIP3 7716 24.886 88.263 -13.431 1.00 0.00 WT4 H ATOM 51312 H2 TIP3 7716 25.054 89.432 -14.377 1.00 0.00 WT4 H ATOM 51313 OH2 TIP3 7734 66.025 10.377 8.582 1.00 0.00 WT4 O ATOM 51314 H1 TIP3 7734 66.418 11.015 9.178 1.00 0.00 WT4 H ATOM 51315 H2 TIP3 7734 65.781 9.642 9.144 1.00 0.00 WT4 H ATOM 51316 OH2 TIP3 7735 47.998 58.870 10.097 1.00 0.00 WT4 O ATOM 51317 H1 TIP3 7735 48.930 58.887 9.877 1.00 0.00 WT4 H ATOM 51318 H2 TIP3 7735 47.960 59.179 11.002 1.00 0.00 WT4 H ATOM 51319 OH2 TIP3 7757 64.701 71.688 14.143 1.00 0.00 WT4 O ATOM 51320 H1 TIP3 7757 64.638 70.819 13.748 1.00 0.00 WT4 H ATOM 51321 H2 TIP3 7757 65.018 71.526 15.032 1.00 0.00 WT4 H ATOM 51322 OH2 TIP3 7791 21.241 10.819 1.298 1.00 0.00 WT4 O ATOM 51323 H1 TIP3 7791 20.358 10.525 1.525 1.00 0.00 WT4 H ATOM 51324 H2 TIP3 7791 21.685 10.916 2.140 1.00 0.00 WT4 H ATOM 51325 OH2 TIP3 7872 64.012 83.549 12.593 1.00 0.00 WT4 O ATOM 51326 H1 TIP3 7872 63.851 82.962 11.854 1.00 0.00 WT4 H ATOM 51327 H2 TIP3 7872 64.412 82.991 13.260 1.00 0.00 WT4 H ATOM 51328 OH2 TIP3 7895 26.232 14.837 8.745 1.00 0.00 WT4 O ATOM 51329 H1 TIP3 7895 25.906 14.715 7.854 1.00 0.00 WT4 H ATOM 51330 H2 TIP3 7895 27.072 15.283 8.635 1.00 0.00 WT4 H ATOM 51331 OH2 TIP3 7922 86.589 58.537 43.932 1.00 0.00 WT4 O ATOM 51332 H1 TIP3 7922 87.371 58.036 44.163 1.00 0.00 WT4 H ATOM 51333 H2 TIP3 7922 86.530 58.464 42.979 1.00 0.00 WT4 H ATOM 51334 OH2 TIP3 7933 61.833 59.094 60.359 1.00 0.00 WT4 O ATOM 51335 H1 TIP3 7933 62.417 59.541 60.972 1.00 0.00 WT4 H ATOM 51336 H2 TIP3 7933 61.632 59.754 59.696 1.00 0.00 WT4 H ATOM 51337 OH2 TIP3 7938 84.711 56.769 30.563 1.00 0.00 WT4 O ATOM 51338 H1 TIP3 7938 84.124 57.431 30.198 1.00 0.00 WT4 H ATOM 51339 H2 TIP3 7938 84.891 56.178 29.832 1.00 0.00 WT4 H ATOM 51340 OH2 TIP3 7939 85.517 67.455 14.408 1.00 0.00 WT4 O ATOM 51341 H1 TIP3 7939 85.465 66.728 15.029 1.00 0.00 WT4 H ATOM 51342 H2 TIP3 7939 86.350 67.326 13.955 1.00 0.00 WT4 H ATOM 51343 OH2 TIP3 7941 64.398 33.108 34.407 1.00 0.00 WT4 O ATOM 51344 H1 TIP3 7941 64.660 33.930 33.994 1.00 0.00 WT4 H ATOM 51345 H2 TIP3 7941 64.173 32.533 33.676 1.00 0.00 WT4 H ATOM 51346 OH2 TIP3 7942 32.147 40.690 29.628 1.00 0.00 WT4 O ATOM 51347 H1 TIP3 7942 32.420 40.161 28.879 1.00 0.00 WT4 H ATOM 51348 H2 TIP3 7942 32.466 41.570 29.431 1.00 0.00 WT4 H ATOM 51349 OH2 TIP3 7947 62.857 77.725 -10.389 1.00 0.00 WT4 O ATOM 51350 H1 TIP3 7947 63.419 77.485 -9.652 1.00 0.00 WT4 H ATOM 51351 H2 TIP3 7947 61.978 77.462 -10.116 1.00 0.00 WT4 H ATOM 51352 OH2 TIP3 7949 29.066 37.642 -7.856 1.00 0.00 WT4 O ATOM 51353 H1 TIP3 7949 29.991 37.659 -8.103 1.00 0.00 WT4 H ATOM 51354 H2 TIP3 7949 28.690 38.415 -8.279 1.00 0.00 WT4 H ATOM 51355 OH2 TIP3 7961 80.580 50.570 60.354 1.00 0.00 WT4 O ATOM 51356 H1 TIP3 7961 80.413 50.956 59.494 1.00 0.00 WT4 H ATOM 51357 H2 TIP3 7961 81.083 51.237 60.822 1.00 0.00 WT4 H ATOM 51358 OH2 TIP3 7962 88.445 83.556 35.178 1.00 0.00 WT4 O ATOM 51359 H1 TIP3 7962 87.938 83.062 35.822 1.00 0.00 WT4 H ATOM 51360 H2 TIP3 7962 88.286 83.104 34.349 1.00 0.00 WT4 H ATOM 51361 OH2 TIP3 7963 31.347 59.280 50.879 1.00 0.00 WT4 O ATOM 51362 H1 TIP3 7963 31.030 60.183 50.874 1.00 0.00 WT4 H ATOM 51363 H2 TIP3 7963 32.301 59.360 50.902 1.00 0.00 WT4 H ATOM 51364 OH2 TIP3 7964 73.280 2.359 14.794 1.00 0.00 WT4 O ATOM 51365 H1 TIP3 7964 73.258 1.846 15.601 1.00 0.00 WT4 H ATOM 51366 H2 TIP3 7964 74.192 2.317 14.507 1.00 0.00 WT4 H ATOM 51367 OH2 TIP3 7965 34.374 55.277 64.931 1.00 0.00 WT4 O ATOM 51368 H1 TIP3 7965 34.199 54.964 65.818 1.00 0.00 WT4 H ATOM 51369 H2 TIP3 7965 33.842 56.068 64.847 1.00 0.00 WT4 H ATOM 51370 OH2 TIP3 7967 29.244 7.883 52.343 1.00 0.00 WT4 O ATOM 51371 H1 TIP3 7967 28.541 7.596 51.761 1.00 0.00 WT4 H ATOM 51372 H2 TIP3 7967 30.035 7.486 51.979 1.00 0.00 WT4 H ATOM 51373 OH2 TIP3 7969 22.230 73.915 23.808 1.00 0.00 WT4 O ATOM 51374 H1 TIP3 7969 21.884 73.063 23.543 1.00 0.00 WT4 H ATOM 51375 H2 TIP3 7969 22.556 73.775 24.697 1.00 0.00 WT4 H ATOM 51376 OH2 TIP3 7981 72.539 48.337 -1.035 1.00 0.00 WT4 O ATOM 51377 H1 TIP3 7981 72.118 48.954 -0.436 1.00 0.00 WT4 H ATOM 51378 H2 TIP3 7981 72.707 48.848 -1.826 1.00 0.00 WT4 H ATOM 51379 OH2 TIP3 7983 66.707 4.476 39.839 1.00 0.00 WT4 O ATOM 51380 H1 TIP3 7983 66.864 4.287 38.914 1.00 0.00 WT4 H ATOM 51381 H2 TIP3 7983 66.384 3.651 40.201 1.00 0.00 WT4 H ATOM 51382 OH2 TIP3 7984 27.299 63.740 40.766 1.00 0.00 WT4 O ATOM 51383 H1 TIP3 7984 27.895 63.051 40.473 1.00 0.00 WT4 H ATOM 51384 H2 TIP3 7984 27.684 64.059 41.582 1.00 0.00 WT4 H ATOM 51385 OH2 TIP3 7985 64.244 88.920 56.220 1.00 0.00 WT4 O ATOM 51386 H1 TIP3 7985 63.331 89.207 56.193 1.00 0.00 WT4 H ATOM 51387 H2 TIP3 7985 64.748 89.701 55.995 1.00 0.00 WT4 H ATOM 51388 OH2 TIP3 7986 69.542 48.521 61.484 1.00 0.00 WT4 O ATOM 51389 H1 TIP3 7986 70.116 49.224 61.786 1.00 0.00 WT4 H ATOM 51390 H2 TIP3 7986 69.665 48.501 60.535 1.00 0.00 WT4 H ATOM 51391 OH2 TIP3 7987 25.390 15.003 38.251 1.00 0.00 WT4 O ATOM 51392 H1 TIP3 7987 26.143 14.471 38.509 1.00 0.00 WT4 H ATOM 51393 H2 TIP3 7987 25.746 15.886 38.145 1.00 0.00 WT4 H ATOM 51394 OH2 TIP3 8003 75.396 72.842 24.731 1.00 0.00 WT4 O ATOM 51395 H1 TIP3 8003 74.456 72.765 24.892 1.00 0.00 WT4 H ATOM 51396 H2 TIP3 8003 75.775 73.005 25.595 1.00 0.00 WT4 H ATOM 51397 OH2 TIP3 8004 74.523 82.622 -4.044 1.00 0.00 WT4 O ATOM 51398 H1 TIP3 8004 73.879 82.502 -3.345 1.00 0.00 WT4 H ATOM 51399 H2 TIP3 8004 74.732 81.733 -4.331 1.00 0.00 WT4 H ATOM 51400 OH2 TIP3 8005 30.639 58.942 -7.297 1.00 0.00 WT4 O ATOM 51401 H1 TIP3 8005 30.156 59.202 -6.512 1.00 0.00 WT4 H ATOM 51402 H2 TIP3 8005 31.243 58.264 -6.993 1.00 0.00 WT4 H ATOM 51403 OH2 TIP3 8007 45.686 54.375 0.605 1.00 0.00 WT4 O ATOM 51404 H1 TIP3 8007 46.272 55.053 0.269 1.00 0.00 WT4 H ATOM 51405 H2 TIP3 8007 45.351 54.734 1.427 1.00 0.00 WT4 H ATOM 51406 OH2 TIP3 8022 45.886 8.865 54.968 1.00 0.00 WT4 O ATOM 51407 H1 TIP3 8022 45.173 9.388 55.334 1.00 0.00 WT4 H ATOM 51408 H2 TIP3 8022 45.535 7.976 54.926 1.00 0.00 WT4 H ATOM 51409 OH2 TIP3 8024 63.863 96.632 33.964 1.00 0.00 WT4 O ATOM 51410 H1 TIP3 8024 64.810 96.766 33.967 1.00 0.00 WT4 H ATOM 51411 H2 TIP3 8024 63.673 96.279 33.095 1.00 0.00 WT4 H ATOM 51412 OH2 TIP3 8027 35.193 50.082 -17.461 1.00 0.00 WT4 O ATOM 51413 H1 TIP3 8027 35.587 49.382 -17.981 1.00 0.00 WT4 H ATOM 51414 H2 TIP3 8027 35.914 50.420 -16.929 1.00 0.00 WT4 H ATOM 51415 OH2 TIP3 8029 28.662 83.746 -13.757 1.00 0.00 WT4 O ATOM 51416 H1 TIP3 8029 28.435 84.673 -13.825 1.00 0.00 WT4 H ATOM 51417 H2 TIP3 8029 29.585 83.706 -14.007 1.00 0.00 WT4 H ATOM 51418 OH2 TIP3 8030 59.333 57.327 52.771 1.00 0.00 WT4 O ATOM 51419 H1 TIP3 8030 59.813 56.592 52.388 1.00 0.00 WT4 H ATOM 51420 H2 TIP3 8030 59.003 57.817 52.018 1.00 0.00 WT4 H ATOM 51421 OH2 TIP3 8040 71.844 39.185 0.747 1.00 0.00 WT4 O ATOM 51422 H1 TIP3 8040 71.899 39.011 1.687 1.00 0.00 WT4 H ATOM 51423 H2 TIP3 8040 72.740 39.404 0.491 1.00 0.00 WT4 H ATOM 51424 OH2 TIP3 8041 89.084 63.800 -7.234 1.00 0.00 WT4 O ATOM 51425 H1 TIP3 8041 88.969 64.750 -7.208 1.00 0.00 WT4 H ATOM 51426 H2 TIP3 8041 89.541 63.637 -8.059 1.00 0.00 WT4 H ATOM 51427 OH2 TIP3 8045 37.144 38.082 52.525 1.00 0.00 WT4 O ATOM 51428 H1 TIP3 8045 36.218 38.316 52.454 1.00 0.00 WT4 H ATOM 51429 H2 TIP3 8045 37.604 38.779 52.058 1.00 0.00 WT4 H ATOM 51430 OH2 TIP3 8046 38.191 66.654 55.042 1.00 0.00 WT4 O ATOM 51431 H1 TIP3 8046 37.858 67.476 55.402 1.00 0.00 WT4 H ATOM 51432 H2 TIP3 8046 38.105 66.026 55.760 1.00 0.00 WT4 H ATOM 51433 OH2 TIP3 8047 85.492 61.129 60.149 1.00 0.00 WT4 O ATOM 51434 H1 TIP3 8047 85.060 61.104 61.003 1.00 0.00 WT4 H ATOM 51435 H2 TIP3 8047 84.773 61.158 59.518 1.00 0.00 WT4 H ATOM 51436 OH2 TIP3 8052 78.743 9.707 50.173 1.00 0.00 WT4 O ATOM 51437 H1 TIP3 8052 78.129 10.289 50.619 1.00 0.00 WT4 H ATOM 51438 H2 TIP3 8052 79.509 10.253 49.998 1.00 0.00 WT4 H ATOM 51439 OH2 TIP3 8063 34.901 49.813 -12.210 1.00 0.00 WT4 O ATOM 51440 H1 TIP3 8063 35.024 49.651 -11.275 1.00 0.00 WT4 H ATOM 51441 H2 TIP3 8063 34.253 49.164 -12.483 1.00 0.00 WT4 H ATOM 51442 OH2 TIP3 8064 61.003 81.494 43.978 1.00 0.00 WT4 O ATOM 51443 H1 TIP3 8064 60.985 81.629 43.030 1.00 0.00 WT4 H ATOM 51444 H2 TIP3 8064 61.772 80.945 44.127 1.00 0.00 WT4 H ATOM 51445 OH2 TIP3 8067 23.616 -0.163 47.104 1.00 0.00 WT4 O ATOM 51446 H1 TIP3 8067 23.767 0.528 47.749 1.00 0.00 WT4 H ATOM 51447 H2 TIP3 8067 24.490 -0.487 46.889 1.00 0.00 WT4 H ATOM 51448 OH2 TIP3 8068 70.483 57.106 -16.623 1.00 0.00 WT4 O ATOM 51449 H1 TIP3 8068 70.396 56.762 -17.512 1.00 0.00 WT4 H ATOM 51450 H2 TIP3 8068 71.395 56.937 -16.388 1.00 0.00 WT4 H ATOM 51451 OH2 TIP3 8069 37.772 43.747 -7.266 1.00 0.00 WT4 O ATOM 51452 H1 TIP3 8069 38.715 43.868 -7.152 1.00 0.00 WT4 H ATOM 51453 H2 TIP3 8069 37.376 44.420 -6.711 1.00 0.00 WT4 H ATOM 51454 OH2 TIP3 8070 69.994 71.983 39.041 1.00 0.00 WT4 O ATOM 51455 H1 TIP3 8070 69.704 71.479 39.801 1.00 0.00 WT4 H ATOM 51456 H2 TIP3 8070 70.847 71.609 38.817 1.00 0.00 WT4 H ATOM 51457 OH2 TIP3 8071 77.765 86.570 17.172 1.00 0.00 WT4 O ATOM 51458 H1 TIP3 8071 77.681 87.266 17.823 1.00 0.00 WT4 H ATOM 51459 H2 TIP3 8071 77.708 85.759 17.677 1.00 0.00 WT4 H ATOM 51460 OH2 TIP3 8075 49.191 70.590 27.762 1.00 0.00 WT4 O ATOM 51461 H1 TIP3 8075 49.650 70.247 28.529 1.00 0.00 WT4 H ATOM 51462 H2 TIP3 8075 49.889 70.890 27.179 1.00 0.00 WT4 H ATOM 51463 OH2 TIP3 8084 71.726 68.322 50.004 1.00 0.00 WT4 O ATOM 51464 H1 TIP3 8084 71.908 67.443 49.673 1.00 0.00 WT4 H ATOM 51465 H2 TIP3 8084 70.795 68.457 49.826 1.00 0.00 WT4 H ATOM 51466 OH2 TIP3 8085 67.108 85.297 47.569 1.00 0.00 WT4 O ATOM 51467 H1 TIP3 8085 67.397 85.202 46.662 1.00 0.00 WT4 H ATOM 51468 H2 TIP3 8085 67.001 84.399 47.883 1.00 0.00 WT4 H ATOM 51469 OH2 TIP3 8087 80.450 70.065 44.101 1.00 0.00 WT4 O ATOM 51470 H1 TIP3 8087 80.497 70.780 43.467 1.00 0.00 WT4 H ATOM 51471 H2 TIP3 8087 79.678 70.265 44.631 1.00 0.00 WT4 H ATOM 51472 OH2 TIP3 8088 26.307 91.709 36.269 1.00 0.00 WT4 O ATOM 51473 H1 TIP3 8088 26.769 92.543 36.179 1.00 0.00 WT4 H ATOM 51474 H2 TIP3 8088 25.606 91.752 35.619 1.00 0.00 WT4 H ATOM 51475 OH2 TIP3 8089 64.810 14.844 -9.922 1.00 0.00 WT4 O ATOM 51476 H1 TIP3 8089 63.859 14.761 -9.856 1.00 0.00 WT4 H ATOM 51477 H2 TIP3 8089 65.125 13.944 -10.006 1.00 0.00 WT4 H ATOM 51478 OH2 TIP3 8091 75.239 81.231 65.705 1.00 0.00 WT4 O ATOM 51479 H1 TIP3 8091 76.172 81.443 65.748 1.00 0.00 WT4 H ATOM 51480 H2 TIP3 8091 75.016 81.316 64.778 1.00 0.00 WT4 H ATOM 51481 OH2 TIP3 8092 87.901 20.389 -3.322 1.00 0.00 WT4 O ATOM 51482 H1 TIP3 8092 87.175 20.991 -3.486 1.00 0.00 WT4 H ATOM 51483 H2 TIP3 8092 88.677 20.859 -3.628 1.00 0.00 WT4 H ATOM 51484 OH2 TIP3 8093 45.798 79.159 39.855 1.00 0.00 WT4 O ATOM 51485 H1 TIP3 8093 45.708 79.324 38.917 1.00 0.00 WT4 H ATOM 51486 H2 TIP3 8093 44.914 78.931 40.144 1.00 0.00 WT4 H ATOM 51487 OH2 TIP3 8095 72.501 80.488 -15.053 1.00 0.00 WT4 O ATOM 51488 H1 TIP3 8095 72.771 79.772 -15.629 1.00 0.00 WT4 H ATOM 51489 H2 TIP3 8095 73.317 80.936 -14.829 1.00 0.00 WT4 H ATOM 51490 OH2 TIP3 8096 74.905 38.527 20.865 1.00 0.00 WT4 O ATOM 51491 H1 TIP3 8096 75.104 39.211 21.504 1.00 0.00 WT4 H ATOM 51492 H2 TIP3 8096 75.511 38.691 20.142 1.00 0.00 WT4 H ATOM 51493 OH2 TIP3 8104 48.840 42.216 50.420 1.00 0.00 WT4 O ATOM 51494 H1 TIP3 8104 48.302 41.903 51.147 1.00 0.00 WT4 H ATOM 51495 H2 TIP3 8104 48.365 42.973 50.078 1.00 0.00 WT4 H ATOM 51496 OH2 TIP3 8106 70.010 96.836 14.603 1.00 0.00 WT4 O ATOM 51497 H1 TIP3 8106 70.748 97.280 14.184 1.00 0.00 WT4 H ATOM 51498 H2 TIP3 8106 70.205 95.904 14.505 1.00 0.00 WT4 H ATOM 51499 OH2 TIP3 8107 70.678 69.276 36.814 1.00 0.00 WT4 O ATOM 51500 H1 TIP3 8107 70.954 68.652 36.142 1.00 0.00 WT4 H ATOM 51501 H2 TIP3 8107 70.391 70.046 36.322 1.00 0.00 WT4 H ATOM 51502 OH2 TIP3 8109 43.114 94.920 52.327 1.00 0.00 WT4 O ATOM 51503 H1 TIP3 8109 43.217 95.146 51.403 1.00 0.00 WT4 H ATOM 51504 H2 TIP3 8109 43.005 93.969 52.331 1.00 0.00 WT4 H ATOM 51505 OH2 TIP3 8110 82.002 88.392 41.415 1.00 0.00 WT4 O ATOM 51506 H1 TIP3 8110 81.398 88.881 41.974 1.00 0.00 WT4 H ATOM 51507 H2 TIP3 8110 82.789 88.936 41.378 1.00 0.00 WT4 H ATOM 51508 OH2 TIP3 8111 69.121 42.917 -2.896 1.00 0.00 WT4 O ATOM 51509 H1 TIP3 8111 69.557 42.128 -2.576 1.00 0.00 WT4 H ATOM 51510 H2 TIP3 8111 68.705 42.646 -3.715 1.00 0.00 WT4 H ATOM 51511 OH2 TIP3 8112 87.412 85.578 66.284 1.00 0.00 WT4 O ATOM 51512 H1 TIP3 8112 86.933 84.749 66.304 1.00 0.00 WT4 H ATOM 51513 H2 TIP3 8112 88.323 85.326 66.132 1.00 0.00 WT4 H ATOM 51514 OH2 TIP3 8113 48.009 79.017 36.582 1.00 0.00 WT4 O ATOM 51515 H1 TIP3 8113 48.466 78.579 37.300 1.00 0.00 WT4 H ATOM 51516 H2 TIP3 8113 48.330 78.583 35.792 1.00 0.00 WT4 H ATOM 51517 OH2 TIP3 8114 90.411 12.384 -14.819 1.00 0.00 WT4 O ATOM 51518 H1 TIP3 8114 89.470 12.211 -14.840 1.00 0.00 WT4 H ATOM 51519 H2 TIP3 8114 90.723 12.128 -15.687 1.00 0.00 WT4 H ATOM 51520 OH2 TIP3 8129 39.516 76.927 58.526 1.00 0.00 WT4 O ATOM 51521 H1 TIP3 8129 40.447 76.772 58.688 1.00 0.00 WT4 H ATOM 51522 H2 TIP3 8129 39.331 76.451 57.717 1.00 0.00 WT4 H ATOM 51523 OH2 TIP3 8135 28.705 60.835 -0.967 1.00 0.00 WT4 O ATOM 51524 H1 TIP3 8135 29.484 60.518 -0.511 1.00 0.00 WT4 H ATOM 51525 H2 TIP3 8135 28.863 61.770 -1.093 1.00 0.00 WT4 H ATOM 51526 OH2 TIP3 8150 51.829 66.559 52.517 1.00 0.00 WT4 O ATOM 51527 H1 TIP3 8150 51.741 67.357 53.038 1.00 0.00 WT4 H ATOM 51528 H2 TIP3 8150 51.357 66.748 51.706 1.00 0.00 WT4 H ATOM 51529 OH2 TIP3 8154 22.189 55.239 65.056 1.00 0.00 WT4 O ATOM 51530 H1 TIP3 8154 22.409 56.160 64.915 1.00 0.00 WT4 H ATOM 51531 H2 TIP3 8154 21.613 55.245 65.820 1.00 0.00 WT4 H ATOM 51532 OH2 TIP3 8155 42.009 87.127 -16.934 1.00 0.00 WT4 O ATOM 51533 H1 TIP3 8155 42.356 87.264 -17.815 1.00 0.00 WT4 H ATOM 51534 H2 TIP3 8155 41.803 86.193 -16.900 1.00 0.00 WT4 H ATOM 51535 OH2 TIP3 8159 85.175 3.609 44.671 1.00 0.00 WT4 O ATOM 51536 H1 TIP3 8159 85.342 3.156 43.845 1.00 0.00 WT4 H ATOM 51537 H2 TIP3 8159 84.547 3.050 45.129 1.00 0.00 WT4 H ATOM 51538 OH2 TIP3 8174 25.813 93.429 -5.869 1.00 0.00 WT4 O ATOM 51539 H1 TIP3 8174 25.920 92.629 -6.383 1.00 0.00 WT4 H ATOM 51540 H2 TIP3 8174 25.610 93.122 -4.986 1.00 0.00 WT4 H ATOM 51541 OH2 TIP3 8178 40.434 80.456 43.525 1.00 0.00 WT4 O ATOM 51542 H1 TIP3 8178 39.877 79.842 43.047 1.00 0.00 WT4 H ATOM 51543 H2 TIP3 8178 41.319 80.104 43.426 1.00 0.00 WT4 H ATOM 51544 OH2 TIP3 8219 61.287 94.546 35.843 1.00 0.00 WT4 O ATOM 51545 H1 TIP3 8219 60.985 94.402 34.946 1.00 0.00 WT4 H ATOM 51546 H2 TIP3 8219 60.770 95.290 36.153 1.00 0.00 WT4 H ATOM 51547 OH2 TIP3 8319 71.358 24.133 52.779 1.00 0.00 WT4 O ATOM 51548 H1 TIP3 8319 71.713 24.562 53.557 1.00 0.00 WT4 H ATOM 51549 H2 TIP3 8319 71.614 23.215 52.873 1.00 0.00 WT4 H ATOM 51550 OH2 TIP3 8322 80.163 54.282 9.208 1.00 0.00 WT4 O ATOM 51551 H1 TIP3 8322 80.454 54.309 10.120 1.00 0.00 WT4 H ATOM 51552 H2 TIP3 8322 79.207 54.285 9.261 1.00 0.00 WT4 H ATOM 51553 OH2 TIP3 8324 50.029 46.027 44.566 1.00 0.00 WT4 O ATOM 51554 H1 TIP3 8324 50.424 45.165 44.434 1.00 0.00 WT4 H ATOM 51555 H2 TIP3 8324 49.233 46.010 44.035 1.00 0.00 WT4 H ATOM 51556 OH2 TIP3 8339 28.275 34.104 35.090 1.00 0.00 WT4 O ATOM 51557 H1 TIP3 8339 29.139 34.244 35.477 1.00 0.00 WT4 H ATOM 51558 H2 TIP3 8339 27.887 34.978 35.045 1.00 0.00 WT4 H ATOM 51559 OH2 TIP3 8345 47.938 71.247 49.438 1.00 0.00 WT4 O ATOM 51560 H1 TIP3 8345 48.617 71.021 48.802 1.00 0.00 WT4 H ATOM 51561 H2 TIP3 8345 47.334 71.810 48.954 1.00 0.00 WT4 H ATOM 51562 OH2 TIP3 8364 28.094 71.618 -15.888 1.00 0.00 WT4 O ATOM 51563 H1 TIP3 8364 28.098 70.694 -16.139 1.00 0.00 WT4 H ATOM 51564 H2 TIP3 8364 28.971 71.776 -15.540 1.00 0.00 WT4 H ATOM 51565 OH2 TIP3 8365 83.163 71.245 -19.184 1.00 0.00 WT4 O ATOM 51566 H1 TIP3 8365 82.881 71.347 -18.275 1.00 0.00 WT4 H ATOM 51567 H2 TIP3 8365 83.068 70.309 -19.361 1.00 0.00 WT4 H ATOM 51568 OH2 TIP3 8377 88.684 58.955 -10.228 1.00 0.00 WT4 O ATOM 51569 H1 TIP3 8377 89.405 58.931 -10.857 1.00 0.00 WT4 H ATOM 51570 H2 TIP3 8377 89.072 59.316 -9.431 1.00 0.00 WT4 H ATOM 51571 OH2 TIP3 8378 27.790 44.523 56.752 1.00 0.00 WT4 O ATOM 51572 H1 TIP3 8378 28.110 45.381 56.470 1.00 0.00 WT4 H ATOM 51573 H2 TIP3 8378 27.671 44.033 55.938 1.00 0.00 WT4 H ATOM 51574 OH2 TIP3 8381 86.117 79.846 -16.401 1.00 0.00 WT4 O ATOM 51575 H1 TIP3 8381 86.052 79.530 -15.500 1.00 0.00 WT4 H ATOM 51576 H2 TIP3 8381 85.660 79.186 -16.921 1.00 0.00 WT4 H ATOM 51577 OH2 TIP3 8382 44.075 70.394 -2.118 1.00 0.00 WT4 O ATOM 51578 H1 TIP3 8382 44.731 69.748 -1.856 1.00 0.00 WT4 H ATOM 51579 H2 TIP3 8382 43.951 70.939 -1.341 1.00 0.00 WT4 H ATOM 51580 OH2 TIP3 8384 88.919 84.824 -17.491 1.00 0.00 WT4 O ATOM 51581 H1 TIP3 8384 89.341 84.509 -18.291 1.00 0.00 WT4 H ATOM 51582 H2 TIP3 8384 88.915 85.777 -17.582 1.00 0.00 WT4 H ATOM 51583 OH2 TIP3 8386 79.471 6.796 62.903 1.00 0.00 WT4 O ATOM 51584 H1 TIP3 8386 79.635 7.026 61.989 1.00 0.00 WT4 H ATOM 51585 H2 TIP3 8386 79.189 7.615 63.310 1.00 0.00 WT4 H ATOM 51586 OH2 TIP3 8388 43.829 93.763 33.603 1.00 0.00 WT4 O ATOM 51587 H1 TIP3 8388 43.099 94.202 34.039 1.00 0.00 WT4 H ATOM 51588 H2 TIP3 8388 44.447 94.465 33.404 1.00 0.00 WT4 H ATOM 51589 OH2 TIP3 8389 83.127 51.949 6.307 1.00 0.00 WT4 O ATOM 51590 H1 TIP3 8389 83.604 51.800 7.123 1.00 0.00 WT4 H ATOM 51591 H2 TIP3 8389 83.329 51.184 5.768 1.00 0.00 WT4 H ATOM 51592 OH2 TIP3 8403 23.985 41.270 -3.865 1.00 0.00 WT4 O ATOM 51593 H1 TIP3 8403 23.336 41.074 -4.541 1.00 0.00 WT4 H ATOM 51594 H2 TIP3 8403 23.743 42.139 -3.545 1.00 0.00 WT4 H ATOM 51595 OH2 TIP3 8411 66.694 49.771 58.061 1.00 0.00 WT4 O ATOM 51596 H1 TIP3 8411 66.947 50.544 57.557 1.00 0.00 WT4 H ATOM 51597 H2 TIP3 8411 65.897 50.034 58.520 1.00 0.00 WT4 H ATOM 51598 OH2 TIP3 8421 44.077 7.698 38.707 1.00 0.00 WT4 O ATOM 51599 H1 TIP3 8421 44.290 6.764 38.708 1.00 0.00 WT4 H ATOM 51600 H2 TIP3 8421 44.513 8.044 39.486 1.00 0.00 WT4 H ATOM 51601 OH2 TIP3 8425 78.227 83.367 30.551 1.00 0.00 WT4 O ATOM 51602 H1 TIP3 8425 77.804 82.555 30.271 1.00 0.00 WT4 H ATOM 51603 H2 TIP3 8425 78.160 83.946 29.792 1.00 0.00 WT4 H ATOM 51604 OH2 TIP3 8427 60.733 63.166 -18.091 1.00 0.00 WT4 O ATOM 51605 H1 TIP3 8427 61.507 62.957 -17.568 1.00 0.00 WT4 H ATOM 51606 H2 TIP3 8427 60.222 63.756 -17.538 1.00 0.00 WT4 H ATOM 51607 OH2 TIP3 8428 78.051 17.406 43.021 1.00 0.00 WT4 O ATOM 51608 H1 TIP3 8428 77.958 16.498 43.309 1.00 0.00 WT4 H ATOM 51609 H2 TIP3 8428 77.180 17.648 42.707 1.00 0.00 WT4 H ATOM 51610 OH2 TIP3 8431 78.108 61.491 35.164 1.00 0.00 WT4 O ATOM 51611 H1 TIP3 8431 77.480 62.183 35.371 1.00 0.00 WT4 H ATOM 51612 H2 TIP3 8431 78.014 61.356 34.221 1.00 0.00 WT4 H ATOM 51613 OH2 TIP3 8441 63.785 42.189 25.385 1.00 0.00 WT4 O ATOM 51614 H1 TIP3 8441 63.458 41.312 25.183 1.00 0.00 WT4 H ATOM 51615 H2 TIP3 8441 62.996 42.725 25.473 1.00 0.00 WT4 H ATOM 51616 OH2 TIP3 8442 24.511 66.384 -15.741 1.00 0.00 WT4 O ATOM 51617 H1 TIP3 8442 25.128 65.995 -15.121 1.00 0.00 WT4 H ATOM 51618 H2 TIP3 8442 23.703 65.885 -15.620 1.00 0.00 WT4 H ATOM 51619 OH2 TIP3 8444 78.259 64.969 48.362 1.00 0.00 WT4 O ATOM 51620 H1 TIP3 8444 78.693 65.153 47.529 1.00 0.00 WT4 H ATOM 51621 H2 TIP3 8444 78.020 65.831 48.704 1.00 0.00 WT4 H ATOM 51622 OH2 TIP3 8445 73.180 78.057 -3.250 1.00 0.00 WT4 O ATOM 51623 H1 TIP3 8445 72.316 77.867 -2.884 1.00 0.00 WT4 H ATOM 51624 H2 TIP3 8445 73.795 77.645 -2.643 1.00 0.00 WT4 H ATOM 51625 OH2 TIP3 8446 66.390 12.317 50.179 1.00 0.00 WT4 O ATOM 51626 H1 TIP3 8446 66.337 12.559 49.254 1.00 0.00 WT4 H ATOM 51627 H2 TIP3 8446 66.126 11.397 50.201 1.00 0.00 WT4 H ATOM 51628 OH2 TIP3 8447 25.357 82.608 45.666 1.00 0.00 WT4 O ATOM 51629 H1 TIP3 8447 25.553 82.238 46.527 1.00 0.00 WT4 H ATOM 51630 H2 TIP3 8447 25.680 81.956 45.045 1.00 0.00 WT4 H ATOM 51631 OH2 TIP3 8449 47.437 74.289 56.539 1.00 0.00 WT4 O ATOM 51632 H1 TIP3 8449 46.685 74.338 55.949 1.00 0.00 WT4 H ATOM 51633 H2 TIP3 8449 47.481 75.156 56.944 1.00 0.00 WT4 H ATOM 51634 OH2 TIP3 8455 67.382 27.237 32.381 1.00 0.00 WT4 O ATOM 51635 H1 TIP3 8455 66.919 26.500 31.981 1.00 0.00 WT4 H ATOM 51636 H2 TIP3 8455 68.046 26.829 32.937 1.00 0.00 WT4 H ATOM 51637 OH2 TIP3 8462 73.854 4.934 33.382 1.00 0.00 WT4 O ATOM 51638 H1 TIP3 8462 73.474 5.756 33.694 1.00 0.00 WT4 H ATOM 51639 H2 TIP3 8462 74.024 4.431 34.178 1.00 0.00 WT4 H ATOM 51640 OH2 TIP3 8463 86.901 92.021 36.927 1.00 0.00 WT4 O ATOM 51641 H1 TIP3 8463 87.216 92.525 36.176 1.00 0.00 WT4 H ATOM 51642 H2 TIP3 8463 86.699 91.157 36.569 1.00 0.00 WT4 H ATOM 51643 OH2 TIP3 8465 31.280 78.114 66.777 1.00 0.00 WT4 O ATOM 51644 H1 TIP3 8465 31.305 77.487 66.054 1.00 0.00 WT4 H ATOM 51645 H2 TIP3 8465 30.661 77.736 67.402 1.00 0.00 WT4 H ATOM 51646 OH2 TIP3 8466 86.240 14.123 -1.168 1.00 0.00 WT4 O ATOM 51647 H1 TIP3 8466 85.691 13.842 -0.436 1.00 0.00 WT4 H ATOM 51648 H2 TIP3 8466 85.648 14.141 -1.920 1.00 0.00 WT4 H ATOM 51649 OH2 TIP3 8468 86.163 94.164 12.736 1.00 0.00 WT4 O ATOM 51650 H1 TIP3 8468 85.240 93.993 12.927 1.00 0.00 WT4 H ATOM 51651 H2 TIP3 8468 86.636 93.479 13.208 1.00 0.00 WT4 H ATOM 51652 OH2 TIP3 8486 82.453 84.280 -9.860 1.00 0.00 WT4 O ATOM 51653 H1 TIP3 8486 83.105 84.556 -9.215 1.00 0.00 WT4 H ATOM 51654 H2 TIP3 8486 81.692 84.832 -9.683 1.00 0.00 WT4 H ATOM 51655 OH2 TIP3 8487 57.707 72.826 -9.253 1.00 0.00 WT4 O ATOM 51656 H1 TIP3 8487 57.677 72.100 -8.630 1.00 0.00 WT4 H ATOM 51657 H2 TIP3 8487 57.025 73.428 -8.952 1.00 0.00 WT4 H ATOM 51658 OH2 TIP3 8489 61.560 92.461 40.416 1.00 0.00 WT4 O ATOM 51659 H1 TIP3 8489 62.299 92.049 39.969 1.00 0.00 WT4 H ATOM 51660 H2 TIP3 8489 61.882 92.638 41.299 1.00 0.00 WT4 H ATOM 51661 OH2 TIP3 8490 82.695 38.872 40.095 1.00 0.00 WT4 O ATOM 51662 H1 TIP3 8490 83.063 39.754 40.156 1.00 0.00 WT4 H ATOM 51663 H2 TIP3 8490 83.321 38.318 40.560 1.00 0.00 WT4 H ATOM 51664 OH2 TIP3 8505 82.899 61.465 52.934 1.00 0.00 WT4 O ATOM 51665 H1 TIP3 8505 82.871 62.229 52.358 1.00 0.00 WT4 H ATOM 51666 H2 TIP3 8505 83.358 60.797 52.424 1.00 0.00 WT4 H ATOM 51667 OH2 TIP3 8506 60.497 74.543 50.240 1.00 0.00 WT4 O ATOM 51668 H1 TIP3 8506 60.586 73.979 49.472 1.00 0.00 WT4 H ATOM 51669 H2 TIP3 8506 61.255 74.329 50.784 1.00 0.00 WT4 H ATOM 51670 OH2 TIP3 8507 67.455 2.522 16.548 1.00 0.00 WT4 O ATOM 51671 H1 TIP3 8507 68.160 3.156 16.416 1.00 0.00 WT4 H ATOM 51672 H2 TIP3 8507 67.259 2.573 17.484 1.00 0.00 WT4 H ATOM 51673 OH2 TIP3 8508 40.471 10.559 65.143 1.00 0.00 WT4 O ATOM 51674 H1 TIP3 8508 39.780 11.181 65.371 1.00 0.00 WT4 H ATOM 51675 H2 TIP3 8508 41.244 11.103 64.991 1.00 0.00 WT4 H ATOM 51676 OH2 TIP3 8509 30.607 46.510 13.337 1.00 0.00 WT4 O ATOM 51677 H1 TIP3 8509 30.511 46.398 12.391 1.00 0.00 WT4 H ATOM 51678 H2 TIP3 8509 31.231 47.230 13.432 1.00 0.00 WT4 H ATOM 51679 OH2 TIP3 8513 62.920 29.774 -12.909 1.00 0.00 WT4 O ATOM 51680 H1 TIP3 8513 63.185 30.670 -13.120 1.00 0.00 WT4 H ATOM 51681 H2 TIP3 8513 62.000 29.849 -12.657 1.00 0.00 WT4 H ATOM 51682 OH2 TIP3 8515 75.709 29.555 53.672 1.00 0.00 WT4 O ATOM 51683 H1 TIP3 8515 76.521 29.216 53.295 1.00 0.00 WT4 H ATOM 51684 H2 TIP3 8515 75.639 29.120 54.522 1.00 0.00 WT4 H ATOM 51685 OH2 TIP3 8516 54.553 19.797 -15.205 1.00 0.00 WT4 O ATOM 51686 H1 TIP3 8516 54.383 19.142 -14.528 1.00 0.00 WT4 H ATOM 51687 H2 TIP3 8516 54.526 20.634 -14.742 1.00 0.00 WT4 H ATOM 51688 OH2 TIP3 8528 70.378 9.129 41.636 1.00 0.00 WT4 O ATOM 51689 H1 TIP3 8528 70.825 9.414 40.839 1.00 0.00 WT4 H ATOM 51690 H2 TIP3 8528 70.347 8.175 41.566 1.00 0.00 WT4 H ATOM 51691 OH2 TIP3 8529 31.036 69.506 49.425 1.00 0.00 WT4 O ATOM 51692 H1 TIP3 8529 30.735 68.650 49.120 1.00 0.00 WT4 H ATOM 51693 H2 TIP3 8529 30.291 70.089 49.277 1.00 0.00 WT4 H ATOM 51694 OH2 TIP3 8530 89.897 87.381 56.729 1.00 0.00 WT4 O ATOM 51695 H1 TIP3 8530 90.814 87.138 56.857 1.00 0.00 WT4 H ATOM 51696 H2 TIP3 8530 89.599 86.822 56.011 1.00 0.00 WT4 H ATOM 51697 OH2 TIP3 8531 39.885 86.030 -4.864 1.00 0.00 WT4 O ATOM 51698 H1 TIP3 8531 40.197 85.336 -5.445 1.00 0.00 WT4 H ATOM 51699 H2 TIP3 8531 40.626 86.211 -4.286 1.00 0.00 WT4 H ATOM 51700 OH2 TIP3 8532 85.729 7.331 -18.204 1.00 0.00 WT4 O ATOM 51701 H1 TIP3 8532 85.151 7.990 -18.588 1.00 0.00 WT4 H ATOM 51702 H2 TIP3 8532 85.927 7.666 -17.330 1.00 0.00 WT4 H ATOM 51703 OH2 TIP3 8534 51.461 62.874 -9.542 1.00 0.00 WT4 O ATOM 51704 H1 TIP3 8534 50.841 62.277 -9.121 1.00 0.00 WT4 H ATOM 51705 H2 TIP3 8534 51.321 63.713 -9.104 1.00 0.00 WT4 H ATOM 51706 OH2 TIP3 8535 54.094 68.926 -8.167 1.00 0.00 WT4 O ATOM 51707 H1 TIP3 8535 54.113 68.737 -7.228 1.00 0.00 WT4 H ATOM 51708 H2 TIP3 8535 53.929 69.868 -8.219 1.00 0.00 WT4 H ATOM 51709 OH2 TIP3 8536 43.855 52.245 48.725 1.00 0.00 WT4 O ATOM 51710 H1 TIP3 8536 44.664 52.116 48.230 1.00 0.00 WT4 H ATOM 51711 H2 TIP3 8536 43.227 51.648 48.318 1.00 0.00 WT4 H ATOM 51712 OH2 TIP3 8539 66.731 73.113 25.058 1.00 0.00 WT4 O ATOM 51713 H1 TIP3 8539 66.379 72.910 25.925 1.00 0.00 WT4 H ATOM 51714 H2 TIP3 8539 66.594 72.313 24.550 1.00 0.00 WT4 H ATOM 51715 OH2 TIP3 8543 26.159 11.867 -15.248 1.00 0.00 WT4 O ATOM 51716 H1 TIP3 8543 25.205 11.907 -15.180 1.00 0.00 WT4 H ATOM 51717 H2 TIP3 8543 26.450 11.598 -14.377 1.00 0.00 WT4 H ATOM 51718 OH2 TIP3 8548 75.152 77.158 20.024 1.00 0.00 WT4 O ATOM 51719 H1 TIP3 8548 74.503 77.746 20.409 1.00 0.00 WT4 H ATOM 51720 H2 TIP3 8548 75.078 76.352 20.535 1.00 0.00 WT4 H ATOM 51721 OH2 TIP3 8549 29.430 10.847 13.150 1.00 0.00 WT4 O ATOM 51722 H1 TIP3 8549 29.088 11.686 12.841 1.00 0.00 WT4 H ATOM 51723 H2 TIP3 8549 29.131 10.784 14.057 1.00 0.00 WT4 H ATOM 51724 OH2 TIP3 8550 26.464 44.254 48.905 1.00 0.00 WT4 O ATOM 51725 H1 TIP3 8550 27.111 44.854 49.276 1.00 0.00 WT4 H ATOM 51726 H2 TIP3 8550 25.897 44.813 48.372 1.00 0.00 WT4 H ATOM 51727 OH2 TIP3 8554 61.868 95.331 -6.557 1.00 0.00 WT4 O ATOM 51728 H1 TIP3 8554 61.366 96.061 -6.194 1.00 0.00 WT4 H ATOM 51729 H2 TIP3 8554 62.707 95.717 -6.805 1.00 0.00 WT4 H ATOM 51730 OH2 TIP3 8556 75.856 80.783 38.315 1.00 0.00 WT4 O ATOM 51731 H1 TIP3 8556 75.530 79.961 38.681 1.00 0.00 WT4 H ATOM 51732 H2 TIP3 8556 75.071 81.242 38.017 1.00 0.00 WT4 H ATOM 51733 OH2 TIP3 8558 58.160 71.949 61.435 1.00 0.00 WT4 O ATOM 51734 H1 TIP3 8558 57.435 71.763 62.032 1.00 0.00 WT4 H ATOM 51735 H2 TIP3 8558 58.027 71.348 60.702 1.00 0.00 WT4 H ATOM 51736 OH2 TIP3 8571 74.181 4.748 2.562 1.00 0.00 WT4 O ATOM 51737 H1 TIP3 8571 73.872 4.727 1.656 1.00 0.00 WT4 H ATOM 51738 H2 TIP3 8571 75.130 4.849 2.490 1.00 0.00 WT4 H ATOM 51739 OH2 TIP3 8573 72.072 89.702 45.358 1.00 0.00 WT4 O ATOM 51740 H1 TIP3 8573 71.812 90.481 44.866 1.00 0.00 WT4 H ATOM 51741 H2 TIP3 8573 71.282 89.442 45.832 1.00 0.00 WT4 H ATOM 51742 OH2 TIP3 8574 34.724 66.039 4.902 1.00 0.00 WT4 O ATOM 51743 H1 TIP3 8574 35.179 66.823 5.210 1.00 0.00 WT4 H ATOM 51744 H2 TIP3 8574 35.224 65.311 5.272 1.00 0.00 WT4 H ATOM 51745 OH2 TIP3 8590 73.250 94.537 43.856 1.00 0.00 WT4 O ATOM 51746 H1 TIP3 8590 72.347 94.851 43.824 1.00 0.00 WT4 H ATOM 51747 H2 TIP3 8590 73.626 94.799 43.016 1.00 0.00 WT4 H ATOM 51748 OH2 TIP3 8594 64.161 94.678 36.209 1.00 0.00 WT4 O ATOM 51749 H1 TIP3 8594 64.551 95.408 35.729 1.00 0.00 WT4 H ATOM 51750 H2 TIP3 8594 63.387 94.441 35.699 1.00 0.00 WT4 H ATOM 51751 OH2 TIP3 8632 61.165 47.567 59.347 1.00 0.00 WT4 O ATOM 51752 H1 TIP3 8632 62.044 47.912 59.508 1.00 0.00 WT4 H ATOM 51753 H2 TIP3 8632 60.723 47.633 60.194 1.00 0.00 WT4 H ATOM 51754 OH2 TIP3 8638 20.742 83.807 -19.650 1.00 0.00 WT4 O ATOM 51755 H1 TIP3 8638 20.058 83.160 -19.476 1.00 0.00 WT4 H ATOM 51756 H2 TIP3 8638 21.562 83.339 -19.490 1.00 0.00 WT4 H ATOM 51757 OH2 TIP3 8640 86.144 34.987 36.576 1.00 0.00 WT4 O ATOM 51758 H1 TIP3 8640 86.550 34.835 35.723 1.00 0.00 WT4 H ATOM 51759 H2 TIP3 8640 86.772 35.537 37.046 1.00 0.00 WT4 H ATOM 51760 OH2 TIP3 8760 76.632 65.174 -16.237 1.00 0.00 WT4 O ATOM 51761 H1 TIP3 8760 76.684 64.994 -15.299 1.00 0.00 WT4 H ATOM 51762 H2 TIP3 8760 76.412 66.104 -16.292 1.00 0.00 WT4 H ATOM 51763 OH2 TIP3 8777 62.326 0.828 52.500 1.00 0.00 WT4 O ATOM 51764 H1 TIP3 8777 62.008 0.993 53.388 1.00 0.00 WT4 H ATOM 51765 H2 TIP3 8777 61.770 1.372 51.942 1.00 0.00 WT4 H ATOM 51766 OH2 TIP3 8780 56.769 94.482 0.054 1.00 0.00 WT4 O ATOM 51767 H1 TIP3 8780 56.637 93.639 0.488 1.00 0.00 WT4 H ATOM 51768 H2 TIP3 8780 56.918 95.100 0.771 1.00 0.00 WT4 H ATOM 51769 OH2 TIP3 8790 88.525 9.573 -3.853 1.00 0.00 WT4 O ATOM 51770 H1 TIP3 8790 87.866 8.879 -3.874 1.00 0.00 WT4 H ATOM 51771 H2 TIP3 8790 88.333 10.110 -4.622 1.00 0.00 WT4 H ATOM 51772 OH2 TIP3 8801 28.570 94.980 42.338 1.00 0.00 WT4 O ATOM 51773 H1 TIP3 8801 28.380 95.091 41.406 1.00 0.00 WT4 H ATOM 51774 H2 TIP3 8801 28.910 95.830 42.616 1.00 0.00 WT4 H ATOM 51775 OH2 TIP3 8802 83.475 85.777 66.620 1.00 0.00 WT4 O ATOM 51776 H1 TIP3 8802 84.307 85.989 66.198 1.00 0.00 WT4 H ATOM 51777 H2 TIP3 8802 83.626 84.928 67.035 1.00 0.00 WT4 H ATOM 51778 OH2 TIP3 8803 22.120 86.798 31.674 1.00 0.00 WT4 O ATOM 51779 H1 TIP3 8803 21.163 86.818 31.696 1.00 0.00 WT4 H ATOM 51780 H2 TIP3 8803 22.371 86.406 32.511 1.00 0.00 WT4 H ATOM 51781 OH2 TIP3 8807 53.439 3.797 26.340 1.00 0.00 WT4 O ATOM 51782 H1 TIP3 8807 52.917 4.588 26.206 1.00 0.00 WT4 H ATOM 51783 H2 TIP3 8807 52.942 3.105 25.903 1.00 0.00 WT4 H ATOM 51784 OH2 TIP3 8820 41.559 27.195 45.330 1.00 0.00 WT4 O ATOM 51785 H1 TIP3 8820 41.198 27.326 44.453 1.00 0.00 WT4 H ATOM 51786 H2 TIP3 8820 42.475 27.459 45.254 1.00 0.00 WT4 H ATOM 51787 OH2 TIP3 8822 83.686 8.346 5.728 1.00 0.00 WT4 O ATOM 51788 H1 TIP3 8822 83.263 7.841 5.033 1.00 0.00 WT4 H ATOM 51789 H2 TIP3 8822 84.608 8.383 5.470 1.00 0.00 WT4 H ATOM 51790 OH2 TIP3 8823 24.467 46.122 0.039 1.00 0.00 WT4 O ATOM 51791 H1 TIP3 8823 25.416 45.999 0.017 1.00 0.00 WT4 H ATOM 51792 H2 TIP3 8823 24.129 45.313 0.423 1.00 0.00 WT4 H ATOM 51793 OH2 TIP3 8829 22.353 60.152 40.825 1.00 0.00 WT4 O ATOM 51794 H1 TIP3 8829 21.740 60.330 40.112 1.00 0.00 WT4 H ATOM 51795 H2 TIP3 8829 22.653 61.017 41.104 1.00 0.00 WT4 H ATOM 51796 OH2 TIP3 8830 22.895 52.931 -3.585 1.00 0.00 WT4 O ATOM 51797 H1 TIP3 8830 22.956 52.012 -3.327 1.00 0.00 WT4 H ATOM 51798 H2 TIP3 8830 23.274 52.960 -4.463 1.00 0.00 WT4 H ATOM 51799 OH2 TIP3 8842 61.097 39.173 1.340 1.00 0.00 WT4 O ATOM 51800 H1 TIP3 8842 61.662 39.338 2.095 1.00 0.00 WT4 H ATOM 51801 H2 TIP3 8842 60.711 40.025 1.137 1.00 0.00 WT4 H ATOM 51802 OH2 TIP3 8843 43.610 62.787 47.569 1.00 0.00 WT4 O ATOM 51803 H1 TIP3 8843 44.314 63.375 47.841 1.00 0.00 WT4 H ATOM 51804 H2 TIP3 8843 42.847 63.356 47.468 1.00 0.00 WT4 H ATOM 51805 OH2 TIP3 8844 69.414 93.034 -15.184 1.00 0.00 WT4 O ATOM 51806 H1 TIP3 8844 70.060 93.549 -15.667 1.00 0.00 WT4 H ATOM 51807 H2 TIP3 8844 69.042 93.649 -14.552 1.00 0.00 WT4 H ATOM 51808 OH2 TIP3 8845 76.206 40.630 40.996 1.00 0.00 WT4 O ATOM 51809 H1 TIP3 8845 76.625 39.912 41.470 1.00 0.00 WT4 H ATOM 51810 H2 TIP3 8845 76.591 40.597 40.120 1.00 0.00 WT4 H ATOM 51811 OH2 TIP3 8846 53.066 31.693 48.864 1.00 0.00 WT4 O ATOM 51812 H1 TIP3 8846 52.667 30.835 49.009 1.00 0.00 WT4 H ATOM 51813 H2 TIP3 8846 53.559 31.594 48.050 1.00 0.00 WT4 H ATOM 51814 OH2 TIP3 8847 86.056 50.460 -14.535 1.00 0.00 WT4 O ATOM 51815 H1 TIP3 8847 85.918 49.683 -15.078 1.00 0.00 WT4 H ATOM 51816 H2 TIP3 8847 86.278 50.113 -13.671 1.00 0.00 WT4 H ATOM 51817 OH2 TIP3 8849 55.216 63.612 37.178 1.00 0.00 WT4 O ATOM 51818 H1 TIP3 8849 55.107 63.324 36.272 1.00 0.00 WT4 H ATOM 51819 H2 TIP3 8849 55.299 62.801 37.680 1.00 0.00 WT4 H ATOM 51820 OH2 TIP3 8863 69.990 74.956 -15.641 1.00 0.00 WT4 O ATOM 51821 H1 TIP3 8863 69.475 74.515 -14.965 1.00 0.00 WT4 H ATOM 51822 H2 TIP3 8863 70.526 74.262 -16.025 1.00 0.00 WT4 H ATOM 51823 OH2 TIP3 8865 69.927 83.634 29.401 1.00 0.00 WT4 O ATOM 51824 H1 TIP3 8865 70.313 83.260 28.609 1.00 0.00 WT4 H ATOM 51825 H2 TIP3 8865 68.983 83.543 29.275 1.00 0.00 WT4 H ATOM 51826 OH2 TIP3 8866 39.315 74.003 59.830 1.00 0.00 WT4 O ATOM 51827 H1 TIP3 8866 39.258 74.540 59.040 1.00 0.00 WT4 H ATOM 51828 H2 TIP3 8866 39.662 74.596 60.498 1.00 0.00 WT4 H ATOM 51829 OH2 TIP3 8867 35.759 56.073 13.900 1.00 0.00 WT4 O ATOM 51830 H1 TIP3 8867 36.012 56.993 13.835 1.00 0.00 WT4 H ATOM 51831 H2 TIP3 8867 36.494 55.651 14.344 1.00 0.00 WT4 H ATOM 51832 OH2 TIP3 8869 38.930 78.871 20.397 1.00 0.00 WT4 O ATOM 51833 H1 TIP3 8869 39.603 78.919 19.717 1.00 0.00 WT4 H ATOM 51834 H2 TIP3 8869 38.625 77.965 20.368 1.00 0.00 WT4 H ATOM 51835 OH2 TIP3 8883 62.129 76.975 21.251 1.00 0.00 WT4 O ATOM 51836 H1 TIP3 8883 62.165 77.053 20.297 1.00 0.00 WT4 H ATOM 51837 H2 TIP3 8883 62.928 77.404 21.557 1.00 0.00 WT4 H ATOM 51838 OH2 TIP3 8884 47.275 0.353 -15.080 1.00 0.00 WT4 O ATOM 51839 H1 TIP3 8884 46.979 0.137 -14.196 1.00 0.00 WT4 H ATOM 51840 H2 TIP3 8884 47.128 -0.447 -15.584 1.00 0.00 WT4 H ATOM 51841 OH2 TIP3 8885 67.014 47.202 36.718 1.00 0.00 WT4 O ATOM 51842 H1 TIP3 8885 67.448 47.345 35.877 1.00 0.00 WT4 H ATOM 51843 H2 TIP3 8885 66.147 47.593 36.611 1.00 0.00 WT4 H ATOM 51844 OH2 TIP3 8886 29.169 84.152 10.389 1.00 0.00 WT4 O ATOM 51845 H1 TIP3 8886 28.938 83.829 9.518 1.00 0.00 WT4 H ATOM 51846 H2 TIP3 8886 29.500 85.037 10.236 1.00 0.00 WT4 H ATOM 51847 OH2 TIP3 8887 25.421 73.205 47.168 1.00 0.00 WT4 O ATOM 51848 H1 TIP3 8887 25.509 73.843 46.460 1.00 0.00 WT4 H ATOM 51849 H2 TIP3 8887 25.618 72.363 46.759 1.00 0.00 WT4 H ATOM 51850 OH2 TIP3 8901 24.907 51.165 39.017 1.00 0.00 WT4 O ATOM 51851 H1 TIP3 8901 24.498 51.978 38.720 1.00 0.00 WT4 H ATOM 51852 H2 TIP3 8901 25.107 51.320 39.940 1.00 0.00 WT4 H ATOM 51853 OH2 TIP3 8903 63.912 39.326 27.120 1.00 0.00 WT4 O ATOM 51854 H1 TIP3 8903 63.237 39.188 26.456 1.00 0.00 WT4 H ATOM 51855 H2 TIP3 8903 64.616 38.725 26.876 1.00 0.00 WT4 H ATOM 51856 OH2 TIP3 8905 30.701 41.062 57.897 1.00 0.00 WT4 O ATOM 51857 H1 TIP3 8905 30.820 40.806 56.983 1.00 0.00 WT4 H ATOM 51858 H2 TIP3 8905 30.789 42.015 57.892 1.00 0.00 WT4 H ATOM 51859 OH2 TIP3 8907 63.662 53.684 -7.266 1.00 0.00 WT4 O ATOM 51860 H1 TIP3 8907 63.138 54.484 -7.307 1.00 0.00 WT4 H ATOM 51861 H2 TIP3 8907 63.421 53.282 -6.431 1.00 0.00 WT4 H ATOM 51862 OH2 TIP3 8911 75.108 67.515 44.684 1.00 0.00 WT4 O ATOM 51863 H1 TIP3 8911 75.423 66.656 44.964 1.00 0.00 WT4 H ATOM 51864 H2 TIP3 8911 75.897 67.985 44.415 1.00 0.00 WT4 H ATOM 51865 OH2 TIP3 8913 24.431 90.375 46.766 1.00 0.00 WT4 O ATOM 51866 H1 TIP3 8913 24.892 90.875 46.092 1.00 0.00 WT4 H ATOM 51867 H2 TIP3 8913 25.114 90.129 47.391 1.00 0.00 WT4 H ATOM 51868 OH2 TIP3 8914 78.555 93.999 43.666 1.00 0.00 WT4 O ATOM 51869 H1 TIP3 8914 79.144 94.486 43.089 1.00 0.00 WT4 H ATOM 51870 H2 TIP3 8914 78.786 94.292 44.547 1.00 0.00 WT4 H ATOM 51871 OH2 TIP3 8925 58.982 82.729 38.786 1.00 0.00 WT4 O ATOM 51872 H1 TIP3 8925 59.319 82.025 38.232 1.00 0.00 WT4 H ATOM 51873 H2 TIP3 8925 59.150 82.432 39.680 1.00 0.00 WT4 H ATOM 51874 OH2 TIP3 8926 28.201 80.374 47.866 1.00 0.00 WT4 O ATOM 51875 H1 TIP3 8926 28.864 80.963 48.225 1.00 0.00 WT4 H ATOM 51876 H2 TIP3 8926 27.405 80.904 47.825 1.00 0.00 WT4 H ATOM 51877 OH2 TIP3 8927 89.101 86.463 41.998 1.00 0.00 WT4 O ATOM 51878 H1 TIP3 8927 88.423 85.792 42.080 1.00 0.00 WT4 H ATOM 51879 H2 TIP3 8927 89.260 86.754 42.895 1.00 0.00 WT4 H ATOM 51880 OH2 TIP3 8929 56.096 14.445 63.175 1.00 0.00 WT4 O ATOM 51881 H1 TIP3 8929 56.035 13.498 63.301 1.00 0.00 WT4 H ATOM 51882 H2 TIP3 8929 55.388 14.652 62.565 1.00 0.00 WT4 H ATOM 51883 OH2 TIP3 8930 42.485 78.434 0.919 1.00 0.00 WT4 O ATOM 51884 H1 TIP3 8930 41.941 78.154 1.655 1.00 0.00 WT4 H ATOM 51885 H2 TIP3 8930 42.945 77.641 0.644 1.00 0.00 WT4 H ATOM 51886 OH2 TIP3 8931 80.893 68.538 -3.702 1.00 0.00 WT4 O ATOM 51887 H1 TIP3 8931 81.388 67.976 -4.297 1.00 0.00 WT4 H ATOM 51888 H2 TIP3 8931 81.436 68.594 -2.916 1.00 0.00 WT4 H ATOM 51889 OH2 TIP3 8932 85.396 44.956 4.814 1.00 0.00 WT4 O ATOM 51890 H1 TIP3 8932 84.894 44.538 5.514 1.00 0.00 WT4 H ATOM 51891 H2 TIP3 8932 86.053 44.305 4.569 1.00 0.00 WT4 H ATOM 51892 OH2 TIP3 8935 25.637 20.545 65.111 1.00 0.00 WT4 O ATOM 51893 H1 TIP3 8935 26.403 20.667 64.551 1.00 0.00 WT4 H ATOM 51894 H2 TIP3 8935 25.869 20.978 65.933 1.00 0.00 WT4 H ATOM 51895 OH2 TIP3 8944 42.857 69.139 34.275 1.00 0.00 WT4 O ATOM 51896 H1 TIP3 8944 42.930 68.220 34.018 1.00 0.00 WT4 H ATOM 51897 H2 TIP3 8944 43.762 69.451 34.310 1.00 0.00 WT4 H ATOM 51898 OH2 TIP3 8949 58.181 42.171 -17.911 1.00 0.00 WT4 O ATOM 51899 H1 TIP3 8949 58.347 42.986 -17.437 1.00 0.00 WT4 H ATOM 51900 H2 TIP3 8949 58.546 41.487 -17.350 1.00 0.00 WT4 H ATOM 51901 OH2 TIP3 8951 22.170 70.300 20.468 1.00 0.00 WT4 O ATOM 51902 H1 TIP3 8951 21.277 69.960 20.417 1.00 0.00 WT4 H ATOM 51903 H2 TIP3 8951 22.725 69.520 20.443 1.00 0.00 WT4 H ATOM 51904 OH2 TIP3 8953 72.785 55.789 18.167 1.00 0.00 WT4 O ATOM 51905 H1 TIP3 8953 71.941 56.233 18.084 1.00 0.00 WT4 H ATOM 51906 H2 TIP3 8953 72.626 54.907 17.831 1.00 0.00 WT4 H ATOM 51907 OH2 TIP3 8954 63.595 77.408 31.368 1.00 0.00 WT4 O ATOM 51908 H1 TIP3 8954 62.656 77.290 31.224 1.00 0.00 WT4 H ATOM 51909 H2 TIP3 8954 63.810 76.791 32.068 1.00 0.00 WT4 H ATOM 51910 OH2 TIP3 8969 22.416 16.011 58.096 1.00 0.00 WT4 O ATOM 51911 H1 TIP3 8969 23.133 15.382 58.174 1.00 0.00 WT4 H ATOM 51912 H2 TIP3 8969 22.135 16.168 58.997 1.00 0.00 WT4 H ATOM 51913 OH2 TIP3 8970 58.412 91.080 -16.800 1.00 0.00 WT4 O ATOM 51914 H1 TIP3 8970 58.112 91.019 -15.894 1.00 0.00 WT4 H ATOM 51915 H2 TIP3 8970 57.615 91.237 -17.307 1.00 0.00 WT4 H ATOM 51916 OH2 TIP3 8972 22.681 19.855 57.793 1.00 0.00 WT4 O ATOM 51917 H1 TIP3 8972 22.447 20.384 58.556 1.00 0.00 WT4 H ATOM 51918 H2 TIP3 8972 23.638 19.875 57.772 1.00 0.00 WT4 H ATOM 51919 OH2 TIP3 8973 49.526 57.639 66.092 1.00 0.00 WT4 O ATOM 51920 H1 TIP3 8973 49.196 56.970 66.693 1.00 0.00 WT4 H ATOM 51921 H2 TIP3 8973 49.263 57.333 65.224 1.00 0.00 WT4 H ATOM 51922 OH2 TIP3 8974 29.681 82.888 59.553 1.00 0.00 WT4 O ATOM 51923 H1 TIP3 8974 30.181 82.865 58.737 1.00 0.00 WT4 H ATOM 51924 H2 TIP3 8974 30.274 82.521 60.208 1.00 0.00 WT4 H ATOM 51925 OH2 TIP3 8975 66.918 25.177 12.900 1.00 0.00 WT4 O ATOM 51926 H1 TIP3 8975 67.292 24.903 13.738 1.00 0.00 WT4 H ATOM 51927 H2 TIP3 8975 65.973 25.075 13.014 1.00 0.00 WT4 H ATOM 51928 OH2 TIP3 8976 41.441 12.037 3.743 1.00 0.00 WT4 O ATOM 51929 H1 TIP3 8976 41.736 12.812 4.222 1.00 0.00 WT4 H ATOM 51930 H2 TIP3 8976 40.531 11.918 4.017 1.00 0.00 WT4 H ATOM 51931 OH2 TIP3 8977 36.632 84.908 2.348 1.00 0.00 WT4 O ATOM 51932 H1 TIP3 8977 36.618 85.384 3.178 1.00 0.00 WT4 H ATOM 51933 H2 TIP3 8977 36.651 85.593 1.679 1.00 0.00 WT4 H ATOM 51934 OH2 TIP3 8978 38.364 36.301 -13.174 1.00 0.00 WT4 O ATOM 51935 H1 TIP3 8978 39.320 36.242 -13.166 1.00 0.00 WT4 H ATOM 51936 H2 TIP3 8978 38.182 37.240 -13.136 1.00 0.00 WT4 H ATOM 51937 OH2 TIP3 8988 41.486 52.473 2.964 1.00 0.00 WT4 O ATOM 51938 H1 TIP3 8988 41.035 52.743 2.164 1.00 0.00 WT4 H ATOM 51939 H2 TIP3 8988 42.371 52.827 2.871 1.00 0.00 WT4 H ATOM 51940 OH2 TIP3 8992 29.488 7.264 44.740 1.00 0.00 WT4 O ATOM 51941 H1 TIP3 8992 28.810 7.939 44.751 1.00 0.00 WT4 H ATOM 51942 H2 TIP3 8992 30.309 7.746 44.835 1.00 0.00 WT4 H ATOM 51943 OH2 TIP3 8995 45.169 76.369 61.323 1.00 0.00 WT4 O ATOM 51944 H1 TIP3 8995 45.536 76.684 62.149 1.00 0.00 WT4 H ATOM 51945 H2 TIP3 8995 45.932 76.190 60.774 1.00 0.00 WT4 H ATOM 51946 OH2 TIP3 8996 58.230 80.179 33.328 1.00 0.00 WT4 O ATOM 51947 H1 TIP3 8996 57.385 80.472 32.985 1.00 0.00 WT4 H ATOM 51948 H2 TIP3 8996 58.007 79.655 34.097 1.00 0.00 WT4 H ATOM 51949 OH2 TIP3 8997 42.834 83.415 -8.545 1.00 0.00 WT4 O ATOM 51950 H1 TIP3 8997 42.070 83.799 -8.114 1.00 0.00 WT4 H ATOM 51951 H2 TIP3 8997 43.577 83.917 -8.208 1.00 0.00 WT4 H ATOM 51952 OH2 TIP3 9008 65.403 76.780 20.293 1.00 0.00 WT4 O ATOM 51953 H1 TIP3 9008 66.182 76.495 19.816 1.00 0.00 WT4 H ATOM 51954 H2 TIP3 9008 65.019 75.971 20.631 1.00 0.00 WT4 H ATOM 51955 OH2 TIP3 9009 29.430 51.921 25.780 1.00 0.00 WT4 O ATOM 51956 H1 TIP3 9009 28.929 51.536 25.061 1.00 0.00 WT4 H ATOM 51957 H2 TIP3 9009 30.086 52.469 25.348 1.00 0.00 WT4 H ATOM 51958 OH2 TIP3 9014 28.264 67.327 52.608 1.00 0.00 WT4 O ATOM 51959 H1 TIP3 9014 27.737 66.976 51.891 1.00 0.00 WT4 H ATOM 51960 H2 TIP3 9014 27.735 68.038 52.970 1.00 0.00 WT4 H ATOM 51961 OH2 TIP3 9015 22.782 58.149 54.574 1.00 0.00 WT4 O ATOM 51962 H1 TIP3 9015 22.271 57.947 55.358 1.00 0.00 WT4 H ATOM 51963 H2 TIP3 9015 23.681 57.919 54.807 1.00 0.00 WT4 H ATOM 51964 OH2 TIP3 9019 44.841 8.141 61.661 1.00 0.00 WT4 O ATOM 51965 H1 TIP3 9019 45.773 8.040 61.470 1.00 0.00 WT4 H ATOM 51966 H2 TIP3 9019 44.736 9.072 61.855 1.00 0.00 WT4 H ATOM 51967 OH2 TIP3 9024 43.343 25.172 -16.341 1.00 0.00 WT4 O ATOM 51968 H1 TIP3 9024 43.336 26.104 -16.121 1.00 0.00 WT4 H ATOM 51969 H2 TIP3 9024 42.431 24.967 -16.548 1.00 0.00 WT4 H ATOM 51970 OH2 TIP3 9039 48.422 14.474 4.202 1.00 0.00 WT4 O ATOM 51971 H1 TIP3 9039 48.532 14.250 3.277 1.00 0.00 WT4 H ATOM 51972 H2 TIP3 9039 48.045 13.687 4.596 1.00 0.00 WT4 H ATOM 51973 OH2 TIP3 9047 68.007 87.524 11.812 1.00 0.00 WT4 O ATOM 51974 H1 TIP3 9047 67.179 87.422 11.342 1.00 0.00 WT4 H ATOM 51975 H2 TIP3 9047 68.018 86.802 12.440 1.00 0.00 WT4 H ATOM 51976 OH2 TIP3 9054 27.150 74.596 18.992 1.00 0.00 WT4 O ATOM 51977 H1 TIP3 9054 27.263 74.097 19.801 1.00 0.00 WT4 H ATOM 51978 H2 TIP3 9054 27.502 75.463 19.194 1.00 0.00 WT4 H ATOM 51979 OH2 TIP3 9055 24.021 45.845 60.038 1.00 0.00 WT4 O ATOM 51980 H1 TIP3 9055 24.201 46.672 59.592 1.00 0.00 WT4 H ATOM 51981 H2 TIP3 9055 23.258 45.487 59.584 1.00 0.00 WT4 H ATOM 51982 OH2 TIP3 9060 63.478 91.468 -1.913 1.00 0.00 WT4 O ATOM 51983 H1 TIP3 9060 62.711 92.029 -1.794 1.00 0.00 WT4 H ATOM 51984 H2 TIP3 9060 63.208 90.617 -1.567 1.00 0.00 WT4 H ATOM 51985 OH2 TIP3 9072 37.471 13.873 10.130 1.00 0.00 WT4 O ATOM 51986 H1 TIP3 9072 37.702 13.847 9.202 1.00 0.00 WT4 H ATOM 51987 H2 TIP3 9072 37.839 13.067 10.492 1.00 0.00 WT4 H ATOM 51988 OH2 TIP3 9082 50.378 15.163 48.873 1.00 0.00 WT4 O ATOM 51989 H1 TIP3 9082 50.769 15.258 48.005 1.00 0.00 WT4 H ATOM 51990 H2 TIP3 9082 49.437 15.259 48.725 1.00 0.00 WT4 H ATOM 51991 OH2 TIP3 9094 34.711 92.713 38.080 1.00 0.00 WT4 O ATOM 51992 H1 TIP3 9094 34.333 92.535 38.942 1.00 0.00 WT4 H ATOM 51993 H2 TIP3 9094 34.676 91.872 37.625 1.00 0.00 WT4 H ATOM 51994 OH2 TIP3 9096 70.907 61.637 -16.042 1.00 0.00 WT4 O ATOM 51995 H1 TIP3 9096 70.552 62.106 -16.797 1.00 0.00 WT4 H ATOM 51996 H2 TIP3 9096 70.449 60.797 -16.044 1.00 0.00 WT4 H ATOM 51997 OH2 TIP3 9117 70.373 15.840 41.687 1.00 0.00 WT4 O ATOM 51998 H1 TIP3 9117 70.394 14.902 41.872 1.00 0.00 WT4 H ATOM 51999 H2 TIP3 9117 69.719 15.934 40.995 1.00 0.00 WT4 H ATOM 52000 OH2 TIP3 9201 47.608 23.414 1.030 1.00 0.00 WT4 O ATOM 52001 H1 TIP3 9201 47.242 23.493 1.911 1.00 0.00 WT4 H ATOM 52002 H2 TIP3 9201 47.095 22.718 0.618 1.00 0.00 WT4 H ATOM 52003 OH2 TIP3 9226 55.727 87.943 10.942 1.00 0.00 WT4 O ATOM 52004 H1 TIP3 9226 54.963 88.045 10.375 1.00 0.00 WT4 H ATOM 52005 H2 TIP3 9226 55.737 88.737 11.477 1.00 0.00 WT4 H ATOM 52006 OH2 TIP3 9241 49.060 86.750 -14.249 1.00 0.00 WT4 O ATOM 52007 H1 TIP3 9241 48.124 86.882 -14.401 1.00 0.00 WT4 H ATOM 52008 H2 TIP3 9241 49.103 86.281 -13.415 1.00 0.00 WT4 H ATOM 52009 OH2 TIP3 9243 78.549 95.693 34.544 1.00 0.00 WT4 O ATOM 52010 H1 TIP3 9243 78.780 94.863 34.961 1.00 0.00 WT4 H ATOM 52011 H2 TIP3 9243 77.753 95.975 34.994 1.00 0.00 WT4 H ATOM 52012 OH2 TIP3 9246 75.502 69.423 -19.044 1.00 0.00 WT4 O ATOM 52013 H1 TIP3 9246 75.231 70.290 -19.347 1.00 0.00 WT4 H ATOM 52014 H2 TIP3 9246 76.379 69.557 -18.686 1.00 0.00 WT4 H ATOM 52015 OH2 TIP3 9250 26.141 41.266 54.707 1.00 0.00 WT4 O ATOM 52016 H1 TIP3 9250 25.404 41.674 55.162 1.00 0.00 WT4 H ATOM 52017 H2 TIP3 9250 26.110 40.348 54.976 1.00 0.00 WT4 H ATOM 52018 OH2 TIP3 9261 29.641 36.054 62.541 1.00 0.00 WT4 O ATOM 52019 H1 TIP3 9261 29.508 35.634 63.391 1.00 0.00 WT4 H ATOM 52020 H2 TIP3 9261 29.831 35.331 61.943 1.00 0.00 WT4 H ATOM 52021 OH2 TIP3 2 29.967 4.050 -5.993 1.00 0.00 WT5 O ATOM 52022 H1 TIP3 2 30.353 4.392 -5.187 1.00 0.00 WT5 H ATOM 52023 H2 TIP3 2 30.356 4.580 -6.689 1.00 0.00 WT5 H ATOM 52024 OH2 TIP3 5 27.112 55.522 2.417 1.00 0.00 WT5 O ATOM 52025 H1 TIP3 5 27.991 55.409 2.055 1.00 0.00 WT5 H ATOM 52026 H2 TIP3 5 26.919 54.687 2.843 1.00 0.00 WT5 H ATOM 52027 OH2 TIP3 8 83.374 21.904 32.985 1.00 0.00 WT5 O ATOM 52028 H1 TIP3 8 84.113 21.877 32.377 1.00 0.00 WT5 H ATOM 52029 H2 TIP3 8 82.656 22.278 32.474 1.00 0.00 WT5 H ATOM 52030 OH2 TIP3 14 38.177 41.316 -11.588 1.00 0.00 WT5 O ATOM 52031 H1 TIP3 14 37.770 42.114 -11.928 1.00 0.00 WT5 H ATOM 52032 H2 TIP3 14 38.055 41.370 -10.640 1.00 0.00 WT5 H ATOM 52033 OH2 TIP3 15 68.207 52.257 9.818 1.00 0.00 WT5 O ATOM 52034 H1 TIP3 15 67.582 52.824 10.271 1.00 0.00 WT5 H ATOM 52035 H2 TIP3 15 67.859 51.373 9.937 1.00 0.00 WT5 H ATOM 52036 OH2 TIP3 19 22.986 31.523 28.139 1.00 0.00 WT5 O ATOM 52037 H1 TIP3 19 22.741 32.223 27.534 1.00 0.00 WT5 H ATOM 52038 H2 TIP3 19 23.943 31.517 28.125 1.00 0.00 WT5 H ATOM 52039 OH2 TIP3 40 71.297 92.032 43.701 1.00 0.00 WT5 O ATOM 52040 H1 TIP3 40 70.908 92.286 44.538 1.00 0.00 WT5 H ATOM 52041 H2 TIP3 40 72.083 92.573 43.628 1.00 0.00 WT5 H ATOM 52042 OH2 TIP3 42 80.631 51.980 36.711 1.00 0.00 WT5 O ATOM 52043 H1 TIP3 42 80.839 51.754 35.805 1.00 0.00 WT5 H ATOM 52044 H2 TIP3 42 80.506 52.929 36.699 1.00 0.00 WT5 H ATOM 52045 OH2 TIP3 44 66.370 17.538 8.315 1.00 0.00 WT5 O ATOM 52046 H1 TIP3 44 66.769 18.240 8.828 1.00 0.00 WT5 H ATOM 52047 H2 TIP3 44 66.493 16.751 8.846 1.00 0.00 WT5 H ATOM 52048 OH2 TIP3 48 88.037 58.067 -17.640 1.00 0.00 WT5 O ATOM 52049 H1 TIP3 48 87.415 58.718 -17.314 1.00 0.00 WT5 H ATOM 52050 H2 TIP3 48 87.738 57.874 -18.529 1.00 0.00 WT5 H ATOM 52051 OH2 TIP3 52 24.076 9.151 -16.118 1.00 0.00 WT5 O ATOM 52052 H1 TIP3 52 23.263 9.023 -15.630 1.00 0.00 WT5 H ATOM 52053 H2 TIP3 52 24.745 9.267 -15.443 1.00 0.00 WT5 H ATOM 52054 OH2 TIP3 53 27.376 86.921 43.663 1.00 0.00 WT5 O ATOM 52055 H1 TIP3 53 26.701 86.311 43.960 1.00 0.00 WT5 H ATOM 52056 H2 TIP3 53 28.142 86.370 43.500 1.00 0.00 WT5 H ATOM 52057 OH2 TIP3 55 38.127 53.301 13.021 1.00 0.00 WT5 O ATOM 52058 H1 TIP3 55 37.897 52.585 13.614 1.00 0.00 WT5 H ATOM 52059 H2 TIP3 55 38.111 54.084 13.572 1.00 0.00 WT5 H ATOM 52060 OH2 TIP3 61 60.340 86.118 46.492 1.00 0.00 WT5 O ATOM 52061 H1 TIP3 61 59.792 86.879 46.683 1.00 0.00 WT5 H ATOM 52062 H2 TIP3 61 60.066 85.839 45.618 1.00 0.00 WT5 H ATOM 52063 OH2 TIP3 65 62.253 9.917 -13.254 1.00 0.00 WT5 O ATOM 52064 H1 TIP3 65 62.570 10.635 -13.803 1.00 0.00 WT5 H ATOM 52065 H2 TIP3 65 62.914 9.231 -13.352 1.00 0.00 WT5 H ATOM 52066 OH2 TIP3 67 72.311 90.362 60.068 1.00 0.00 WT5 O ATOM 52067 H1 TIP3 67 72.411 89.483 60.433 1.00 0.00 WT5 H ATOM 52068 H2 TIP3 67 71.658 90.781 60.627 1.00 0.00 WT5 H ATOM 52069 OH2 TIP3 77 31.233 81.845 61.893 1.00 0.00 WT5 O ATOM 52070 H1 TIP3 77 30.723 81.098 62.207 1.00 0.00 WT5 H ATOM 52071 H2 TIP3 77 30.834 82.604 62.320 1.00 0.00 WT5 H ATOM 52072 OH2 TIP3 78 59.433 32.419 6.066 1.00 0.00 WT5 O ATOM 52073 H1 TIP3 78 58.609 32.906 6.046 1.00 0.00 WT5 H ATOM 52074 H2 TIP3 78 59.464 32.035 6.943 1.00 0.00 WT5 H ATOM 52075 OH2 TIP3 87 39.156 96.074 66.819 1.00 0.00 WT5 O ATOM 52076 H1 TIP3 87 38.281 95.743 67.026 1.00 0.00 WT5 H ATOM 52077 H2 TIP3 87 39.331 96.728 67.496 1.00 0.00 WT5 H ATOM 52078 OH2 TIP3 89 69.531 89.890 10.896 1.00 0.00 WT5 O ATOM 52079 H1 TIP3 89 69.084 90.372 10.201 1.00 0.00 WT5 H ATOM 52080 H2 TIP3 89 68.975 89.128 11.056 1.00 0.00 WT5 H ATOM 52081 OH2 TIP3 94 68.263 95.909 42.210 1.00 0.00 WT5 O ATOM 52082 H1 TIP3 94 68.695 96.762 42.183 1.00 0.00 WT5 H ATOM 52083 H2 TIP3 94 67.364 96.103 42.477 1.00 0.00 WT5 H ATOM 52084 OH2 TIP3 95 48.511 80.184 23.374 1.00 0.00 WT5 O ATOM 52085 H1 TIP3 95 47.673 80.592 23.591 1.00 0.00 WT5 H ATOM 52086 H2 TIP3 95 48.303 79.257 23.255 1.00 0.00 WT5 H ATOM 52087 OH2 TIP3 103 64.065 49.098 62.024 1.00 0.00 WT5 O ATOM 52088 H1 TIP3 103 64.629 49.822 62.295 1.00 0.00 WT5 H ATOM 52089 H2 TIP3 103 63.234 49.515 61.794 1.00 0.00 WT5 H ATOM 52090 OH2 TIP3 113 76.618 21.555 62.050 1.00 0.00 WT5 O ATOM 52091 H1 TIP3 113 76.323 21.804 62.926 1.00 0.00 WT5 H ATOM 52092 H2 TIP3 113 77.214 22.256 61.789 1.00 0.00 WT5 H ATOM 52093 OH2 TIP3 115 85.996 71.127 -1.982 1.00 0.00 WT5 O ATOM 52094 H1 TIP3 115 86.508 70.464 -2.445 1.00 0.00 WT5 H ATOM 52095 H2 TIP3 115 85.436 70.627 -1.389 1.00 0.00 WT5 H ATOM 52096 OH2 TIP3 122 42.428 31.532 58.542 1.00 0.00 WT5 O ATOM 52097 H1 TIP3 122 41.485 31.524 58.380 1.00 0.00 WT5 H ATOM 52098 H2 TIP3 122 42.607 32.412 58.873 1.00 0.00 WT5 H ATOM 52099 OH2 TIP3 128 23.051 43.937 -12.121 1.00 0.00 WT5 O ATOM 52100 H1 TIP3 128 23.797 43.857 -11.527 1.00 0.00 WT5 H ATOM 52101 H2 TIP3 128 22.288 43.754 -11.572 1.00 0.00 WT5 H ATOM 52102 OH2 TIP3 135 27.055 89.191 57.418 1.00 0.00 WT5 O ATOM 52103 H1 TIP3 135 27.571 89.966 57.196 1.00 0.00 WT5 H ATOM 52104 H2 TIP3 135 26.180 89.531 57.607 1.00 0.00 WT5 H ATOM 52105 OH2 TIP3 137 44.899 42.586 -4.985 1.00 0.00 WT5 O ATOM 52106 H1 TIP3 137 44.349 42.749 -4.218 1.00 0.00 WT5 H ATOM 52107 H2 TIP3 137 44.494 41.832 -5.414 1.00 0.00 WT5 H ATOM 52108 OH2 TIP3 149 67.014 6.329 15.112 1.00 0.00 WT5 O ATOM 52109 H1 TIP3 149 66.792 6.870 14.354 1.00 0.00 WT5 H ATOM 52110 H2 TIP3 149 67.787 5.835 14.836 1.00 0.00 WT5 H ATOM 52111 OH2 TIP3 150 52.186 5.002 1.424 1.00 0.00 WT5 O ATOM 52112 H1 TIP3 150 52.349 5.882 1.085 1.00 0.00 WT5 H ATOM 52113 H2 TIP3 150 52.793 4.442 0.939 1.00 0.00 WT5 H ATOM 52114 OH2 TIP3 153 68.135 28.245 13.243 1.00 0.00 WT5 O ATOM 52115 H1 TIP3 153 67.925 29.098 12.862 1.00 0.00 WT5 H ATOM 52116 H2 TIP3 153 68.838 28.428 13.866 1.00 0.00 WT5 H ATOM 52117 OH2 TIP3 155 68.629 64.224 25.121 1.00 0.00 WT5 O ATOM 52118 H1 TIP3 155 67.844 64.460 24.625 1.00 0.00 WT5 H ATOM 52119 H2 TIP3 155 68.336 63.541 25.723 1.00 0.00 WT5 H ATOM 52120 OH2 TIP3 165 78.763 43.785 -10.891 1.00 0.00 WT5 O ATOM 52121 H1 TIP3 165 78.018 44.363 -10.731 1.00 0.00 WT5 H ATOM 52122 H2 TIP3 165 79.530 44.316 -10.675 1.00 0.00 WT5 H ATOM 52123 OH2 TIP3 167 23.247 77.159 56.230 1.00 0.00 WT5 O ATOM 52124 H1 TIP3 167 23.679 76.440 56.692 1.00 0.00 WT5 H ATOM 52125 H2 TIP3 167 22.773 76.735 55.515 1.00 0.00 WT5 H ATOM 52126 OH2 TIP3 174 64.058 45.811 -5.371 1.00 0.00 WT5 O ATOM 52127 H1 TIP3 174 64.038 46.414 -4.628 1.00 0.00 WT5 H ATOM 52128 H2 TIP3 174 64.988 45.717 -5.578 1.00 0.00 WT5 H ATOM 52129 OH2 TIP3 175 57.816 22.186 31.247 1.00 0.00 WT5 O ATOM 52130 H1 TIP3 175 58.617 22.423 31.715 1.00 0.00 WT5 H ATOM 52131 H2 TIP3 175 57.707 22.877 30.594 1.00 0.00 WT5 H ATOM 52132 OH2 TIP3 177 74.301 22.058 35.161 1.00 0.00 WT5 O ATOM 52133 H1 TIP3 177 75.067 21.566 35.457 1.00 0.00 WT5 H ATOM 52134 H2 TIP3 177 74.577 22.460 34.338 1.00 0.00 WT5 H ATOM 52135 OH2 TIP3 178 87.232 79.588 11.187 1.00 0.00 WT5 O ATOM 52136 H1 TIP3 178 86.678 78.847 11.431 1.00 0.00 WT5 H ATOM 52137 H2 TIP3 178 86.687 80.358 11.344 1.00 0.00 WT5 H ATOM 52138 OH2 TIP3 191 20.982 45.886 -16.782 1.00 0.00 WT5 O ATOM 52139 H1 TIP3 191 21.353 45.339 -16.090 1.00 0.00 WT5 H ATOM 52140 H2 TIP3 191 21.743 46.227 -17.252 1.00 0.00 WT5 H ATOM 52141 OH2 TIP3 194 38.232 91.371 23.146 1.00 0.00 WT5 O ATOM 52142 H1 TIP3 194 38.158 91.661 24.055 1.00 0.00 WT5 H ATOM 52143 H2 TIP3 194 38.201 90.416 23.196 1.00 0.00 WT5 H ATOM 52144 OH2 TIP3 195 43.297 19.719 53.340 1.00 0.00 WT5 O ATOM 52145 H1 TIP3 195 43.664 20.409 52.787 1.00 0.00 WT5 H ATOM 52146 H2 TIP3 195 44.035 19.137 53.520 1.00 0.00 WT5 H ATOM 52147 OH2 TIP3 196 34.395 48.907 -3.101 1.00 0.00 WT5 O ATOM 52148 H1 TIP3 196 34.045 49.605 -3.655 1.00 0.00 WT5 H ATOM 52149 H2 TIP3 196 35.340 49.063 -3.089 1.00 0.00 WT5 H ATOM 52150 OH2 TIP3 201 25.787 55.610 16.111 1.00 0.00 WT5 O ATOM 52151 H1 TIP3 201 26.329 56.381 15.940 1.00 0.00 WT5 H ATOM 52152 H2 TIP3 201 26.240 54.895 15.663 1.00 0.00 WT5 H ATOM 52153 OH2 TIP3 205 28.740 38.627 14.124 1.00 0.00 WT5 O ATOM 52154 H1 TIP3 205 28.807 39.027 13.257 1.00 0.00 WT5 H ATOM 52155 H2 TIP3 205 29.524 38.926 14.586 1.00 0.00 WT5 H ATOM 52156 OH2 TIP3 213 69.881 47.200 54.685 1.00 0.00 WT5 O ATOM 52157 H1 TIP3 213 69.356 47.898 55.076 1.00 0.00 WT5 H ATOM 52158 H2 TIP3 213 70.611 47.656 54.265 1.00 0.00 WT5 H ATOM 52159 OH2 TIP3 225 59.057 0.519 32.622 1.00 0.00 WT5 O ATOM 52160 H1 TIP3 225 58.529 -0.266 32.763 1.00 0.00 WT5 H ATOM 52161 H2 TIP3 225 59.868 0.196 32.230 1.00 0.00 WT5 H ATOM 52162 OH2 TIP3 227 76.964 89.148 52.326 1.00 0.00 WT5 O ATOM 52163 H1 TIP3 227 76.947 88.662 53.150 1.00 0.00 WT5 H ATOM 52164 H2 TIP3 227 76.046 89.347 52.145 1.00 0.00 WT5 H ATOM 52165 OH2 TIP3 234 48.845 41.894 36.391 1.00 0.00 WT5 O ATOM 52166 H1 TIP3 234 48.538 41.797 37.292 1.00 0.00 WT5 H ATOM 52167 H2 TIP3 234 48.055 41.810 35.857 1.00 0.00 WT5 H ATOM 52168 OH2 TIP3 237 57.493 90.764 34.915 1.00 0.00 WT5 O ATOM 52169 H1 TIP3 237 56.825 91.127 34.334 1.00 0.00 WT5 H ATOM 52170 H2 TIP3 237 57.018 90.538 35.715 1.00 0.00 WT5 H ATOM 52171 OH2 TIP3 248 52.105 34.634 -12.684 1.00 0.00 WT5 O ATOM 52172 H1 TIP3 248 51.810 35.395 -13.184 1.00 0.00 WT5 H ATOM 52173 H2 TIP3 248 52.434 35.000 -11.863 1.00 0.00 WT5 H ATOM 52174 OH2 TIP3 250 62.993 71.136 3.058 1.00 0.00 WT5 O ATOM 52175 H1 TIP3 250 62.498 71.955 3.069 1.00 0.00 WT5 H ATOM 52176 H2 TIP3 250 62.943 70.813 3.958 1.00 0.00 WT5 H ATOM 52177 OH2 TIP3 261 86.981 90.850 59.396 1.00 0.00 WT5 O ATOM 52178 H1 TIP3 261 87.444 90.187 59.909 1.00 0.00 WT5 H ATOM 52179 H2 TIP3 261 86.061 90.742 59.638 1.00 0.00 WT5 H ATOM 52180 OH2 TIP3 267 35.568 62.225 14.107 1.00 0.00 WT5 O ATOM 52181 H1 TIP3 267 35.883 63.110 13.921 1.00 0.00 WT5 H ATOM 52182 H2 TIP3 267 36.347 61.748 14.393 1.00 0.00 WT5 H ATOM 52183 OH2 TIP3 268 49.774 3.323 10.649 1.00 0.00 WT5 O ATOM 52184 H1 TIP3 268 49.238 3.349 11.442 1.00 0.00 WT5 H ATOM 52185 H2 TIP3 268 49.933 2.392 10.498 1.00 0.00 WT5 H ATOM 52186 OH2 TIP3 283 81.675 71.470 -9.661 1.00 0.00 WT5 O ATOM 52187 H1 TIP3 283 80.733 71.481 -9.487 1.00 0.00 WT5 H ATOM 52188 H2 TIP3 283 81.811 72.182 -10.286 1.00 0.00 WT5 H ATOM 52189 OH2 TIP3 292 53.807 54.941 55.206 1.00 0.00 WT5 O ATOM 52190 H1 TIP3 292 53.797 54.070 54.810 1.00 0.00 WT5 H ATOM 52191 H2 TIP3 292 53.853 55.542 54.462 1.00 0.00 WT5 H ATOM 52192 OH2 TIP3 303 85.596 45.710 64.687 1.00 0.00 WT5 O ATOM 52193 H1 TIP3 303 84.746 45.271 64.680 1.00 0.00 WT5 H ATOM 52194 H2 TIP3 303 85.413 46.595 64.372 1.00 0.00 WT5 H ATOM 52195 OH2 TIP3 306 74.567 80.332 21.042 1.00 0.00 WT5 O ATOM 52196 H1 TIP3 306 73.971 79.655 20.721 1.00 0.00 WT5 H ATOM 52197 H2 TIP3 306 74.826 80.031 21.913 1.00 0.00 WT5 H ATOM 52198 OH2 TIP3 307 45.446 82.837 12.823 1.00 0.00 WT5 O ATOM 52199 H1 TIP3 307 45.460 81.914 12.570 1.00 0.00 WT5 H ATOM 52200 H2 TIP3 307 46.267 83.191 12.481 1.00 0.00 WT5 H ATOM 52201 OH2 TIP3 309 63.690 40.937 61.972 1.00 0.00 WT5 O ATOM 52202 H1 TIP3 309 63.495 41.345 62.816 1.00 0.00 WT5 H ATOM 52203 H2 TIP3 309 64.105 40.105 62.198 1.00 0.00 WT5 H ATOM 52204 OH2 TIP3 313 37.531 23.409 6.704 1.00 0.00 WT5 O ATOM 52205 H1 TIP3 313 38.305 23.628 7.223 1.00 0.00 WT5 H ATOM 52206 H2 TIP3 313 37.436 22.462 6.803 1.00 0.00 WT5 H ATOM 52207 OH2 TIP3 314 48.590 42.083 20.707 1.00 0.00 WT5 O ATOM 52208 H1 TIP3 314 48.871 42.964 20.459 1.00 0.00 WT5 H ATOM 52209 H2 TIP3 314 49.205 41.501 20.261 1.00 0.00 WT5 H ATOM 52210 OH2 TIP3 323 65.605 50.478 3.186 1.00 0.00 WT5 O ATOM 52211 H1 TIP3 323 64.751 50.751 2.852 1.00 0.00 WT5 H ATOM 52212 H2 TIP3 323 66.190 51.204 2.969 1.00 0.00 WT5 H ATOM 52213 OH2 TIP3 325 72.535 0.324 -19.753 1.00 0.00 WT5 O ATOM 52214 H1 TIP3 325 72.379 0.936 -19.034 1.00 0.00 WT5 H ATOM 52215 H2 TIP3 325 71.776 0.429 -20.327 1.00 0.00 WT5 H ATOM 52216 OH2 TIP3 327 37.889 48.276 18.948 1.00 0.00 WT5 O ATOM 52217 H1 TIP3 327 38.306 48.689 18.191 1.00 0.00 WT5 H ATOM 52218 H2 TIP3 327 38.409 47.490 19.109 1.00 0.00 WT5 H ATOM 52219 OH2 TIP3 328 88.526 92.573 -1.701 1.00 0.00 WT5 O ATOM 52220 H1 TIP3 328 88.819 93.053 -2.475 1.00 0.00 WT5 H ATOM 52221 H2 TIP3 328 88.376 93.250 -1.041 1.00 0.00 WT5 H ATOM 52222 OH2 TIP3 329 23.439 68.143 -12.991 1.00 0.00 WT5 O ATOM 52223 H1 TIP3 329 23.980 67.984 -13.765 1.00 0.00 WT5 H ATOM 52224 H2 TIP3 329 23.348 69.095 -12.953 1.00 0.00 WT5 H ATOM 52225 OH2 TIP3 336 81.505 10.057 51.603 1.00 0.00 WT5 O ATOM 52226 H1 TIP3 336 82.118 9.723 50.948 1.00 0.00 WT5 H ATOM 52227 H2 TIP3 336 81.984 10.001 52.430 1.00 0.00 WT5 H ATOM 52228 OH2 TIP3 338 50.751 52.933 -6.129 1.00 0.00 WT5 O ATOM 52229 H1 TIP3 338 50.482 52.073 -6.454 1.00 0.00 WT5 H ATOM 52230 H2 TIP3 338 50.646 52.874 -5.179 1.00 0.00 WT5 H ATOM 52231 OH2 TIP3 344 82.823 47.949 35.880 1.00 0.00 WT5 O ATOM 52232 H1 TIP3 344 83.495 48.155 36.530 1.00 0.00 WT5 H ATOM 52233 H2 TIP3 344 83.270 47.396 35.239 1.00 0.00 WT5 H ATOM 52234 OH2 TIP3 347 37.469 51.314 1.365 1.00 0.00 WT5 O ATOM 52235 H1 TIP3 347 37.493 52.170 0.938 1.00 0.00 WT5 H ATOM 52236 H2 TIP3 347 37.923 51.448 2.197 1.00 0.00 WT5 H ATOM 52237 OH2 TIP3 352 45.410 47.970 33.947 1.00 0.00 WT5 O ATOM 52238 H1 TIP3 352 45.944 47.659 34.678 1.00 0.00 WT5 H ATOM 52239 H2 TIP3 352 45.491 47.286 33.283 1.00 0.00 WT5 H ATOM 52240 OH2 TIP3 359 87.996 7.235 67.240 1.00 0.00 WT5 O ATOM 52241 H1 TIP3 359 87.315 7.132 67.904 1.00 0.00 WT5 H ATOM 52242 H2 TIP3 359 87.772 8.050 66.790 1.00 0.00 WT5 H ATOM 52243 OH2 TIP3 372 87.070 38.173 55.874 1.00 0.00 WT5 O ATOM 52244 H1 TIP3 372 86.296 38.568 56.274 1.00 0.00 WT5 H ATOM 52245 H2 TIP3 372 87.002 38.398 54.946 1.00 0.00 WT5 H ATOM 52246 OH2 TIP3 379 27.842 3.164 49.205 1.00 0.00 WT5 O ATOM 52247 H1 TIP3 379 28.527 2.523 49.018 1.00 0.00 WT5 H ATOM 52248 H2 TIP3 379 27.207 2.687 49.740 1.00 0.00 WT5 H ATOM 52249 OH2 TIP3 384 67.619 58.168 -6.927 1.00 0.00 WT5 O ATOM 52250 H1 TIP3 384 68.362 57.625 -7.191 1.00 0.00 WT5 H ATOM 52251 H2 TIP3 384 67.985 58.781 -6.289 1.00 0.00 WT5 H ATOM 52252 OH2 TIP3 389 65.453 34.651 4.946 1.00 0.00 WT5 O ATOM 52253 H1 TIP3 389 64.588 34.307 5.165 1.00 0.00 WT5 H ATOM 52254 H2 TIP3 389 65.702 35.176 5.707 1.00 0.00 WT5 H ATOM 52255 OH2 TIP3 391 29.091 60.648 -3.847 1.00 0.00 WT5 O ATOM 52256 H1 TIP3 391 29.179 61.584 -4.023 1.00 0.00 WT5 H ATOM 52257 H2 TIP3 391 28.883 60.598 -2.913 1.00 0.00 WT5 H ATOM 52258 OH2 TIP3 399 84.363 58.431 21.811 1.00 0.00 WT5 O ATOM 52259 H1 TIP3 399 85.060 59.003 21.489 1.00 0.00 WT5 H ATOM 52260 H2 TIP3 399 83.697 59.031 22.146 1.00 0.00 WT5 H ATOM 52261 OH2 TIP3 400 72.771 31.052 60.201 1.00 0.00 WT5 O ATOM 52262 H1 TIP3 400 72.829 30.912 61.146 1.00 0.00 WT5 H ATOM 52263 H2 TIP3 400 72.030 30.513 59.923 1.00 0.00 WT5 H ATOM 52264 OH2 TIP3 401 74.727 1.752 32.195 1.00 0.00 WT5 O ATOM 52265 H1 TIP3 401 74.102 2.454 32.375 1.00 0.00 WT5 H ATOM 52266 H2 TIP3 401 74.477 1.423 31.332 1.00 0.00 WT5 H ATOM 52267 OH2 TIP3 409 28.720 46.720 1.909 1.00 0.00 WT5 O ATOM 52268 H1 TIP3 409 28.367 47.590 1.719 1.00 0.00 WT5 H ATOM 52269 H2 TIP3 409 28.487 46.562 2.824 1.00 0.00 WT5 H ATOM 52270 OH2 TIP3 417 53.919 74.567 53.675 1.00 0.00 WT5 O ATOM 52271 H1 TIP3 417 53.728 73.693 53.332 1.00 0.00 WT5 H ATOM 52272 H2 TIP3 417 53.234 74.725 54.324 1.00 0.00 WT5 H ATOM 52273 OH2 TIP3 418 34.974 15.538 36.928 1.00 0.00 WT5 O ATOM 52274 H1 TIP3 418 35.564 16.289 36.870 1.00 0.00 WT5 H ATOM 52275 H2 TIP3 418 34.127 15.874 36.636 1.00 0.00 WT5 H ATOM 52276 OH2 TIP3 422 38.859 22.294 30.445 1.00 0.00 WT5 O ATOM 52277 H1 TIP3 422 39.526 22.181 31.123 1.00 0.00 WT5 H ATOM 52278 H2 TIP3 422 39.126 23.084 29.975 1.00 0.00 WT5 H ATOM 52279 OH2 TIP3 425 56.424 31.826 40.442 1.00 0.00 WT5 O ATOM 52280 H1 TIP3 425 57.223 32.292 40.687 1.00 0.00 WT5 H ATOM 52281 H2 TIP3 425 56.291 32.046 39.520 1.00 0.00 WT5 H ATOM 52282 OH2 TIP3 431 40.481 21.101 32.360 1.00 0.00 WT5 O ATOM 52283 H1 TIP3 431 41.348 20.716 32.486 1.00 0.00 WT5 H ATOM 52284 H2 TIP3 431 39.934 20.371 32.068 1.00 0.00 WT5 H ATOM 52285 OH2 TIP3 433 61.678 27.475 -5.878 1.00 0.00 WT5 O ATOM 52286 H1 TIP3 433 61.366 26.889 -5.189 1.00 0.00 WT5 H ATOM 52287 H2 TIP3 433 61.344 28.337 -5.630 1.00 0.00 WT5 H ATOM 52288 OH2 TIP3 460 26.292 89.382 48.435 1.00 0.00 WT5 O ATOM 52289 H1 TIP3 460 27.044 89.945 48.618 1.00 0.00 WT5 H ATOM 52290 H2 TIP3 460 25.869 89.263 49.285 1.00 0.00 WT5 H ATOM 52291 OH2 TIP3 462 56.349 81.268 5.066 1.00 0.00 WT5 O ATOM 52292 H1 TIP3 462 56.968 80.543 5.149 1.00 0.00 WT5 H ATOM 52293 H2 TIP3 462 55.511 80.846 4.875 1.00 0.00 WT5 H ATOM 52294 OH2 TIP3 463 28.763 43.602 31.597 1.00 0.00 WT5 O ATOM 52295 H1 TIP3 463 28.692 43.015 30.845 1.00 0.00 WT5 H ATOM 52296 H2 TIP3 463 29.701 43.646 31.780 1.00 0.00 WT5 H ATOM 52297 OH2 TIP3 470 70.478 46.096 57.832 1.00 0.00 WT5 O ATOM 52298 H1 TIP3 470 70.109 46.947 57.596 1.00 0.00 WT5 H ATOM 52299 H2 TIP3 470 70.891 46.241 58.683 1.00 0.00 WT5 H ATOM 52300 OH2 TIP3 472 89.388 82.156 -19.045 1.00 0.00 WT5 O ATOM 52301 H1 TIP3 472 88.453 82.117 -19.245 1.00 0.00 WT5 H ATOM 52302 H2 TIP3 472 89.503 81.551 -18.312 1.00 0.00 WT5 H ATOM 52303 OH2 TIP3 480 27.552 65.061 29.967 1.00 0.00 WT5 O ATOM 52304 H1 TIP3 480 27.265 65.658 30.658 1.00 0.00 WT5 H ATOM 52305 H2 TIP3 480 27.646 65.618 29.193 1.00 0.00 WT5 H ATOM 52306 OH2 TIP3 481 36.828 43.279 -13.060 1.00 0.00 WT5 O ATOM 52307 H1 TIP3 481 37.327 43.986 -13.468 1.00 0.00 WT5 H ATOM 52308 H2 TIP3 481 36.640 42.673 -13.777 1.00 0.00 WT5 H ATOM 52309 OH2 TIP3 485 35.430 33.801 63.157 1.00 0.00 WT5 O ATOM 52310 H1 TIP3 485 36.247 33.760 63.654 1.00 0.00 WT5 H ATOM 52311 H2 TIP3 485 34.884 33.111 63.535 1.00 0.00 WT5 H ATOM 52312 OH2 TIP3 486 67.793 16.944 3.391 1.00 0.00 WT5 O ATOM 52313 H1 TIP3 486 67.486 16.878 4.295 1.00 0.00 WT5 H ATOM 52314 H2 TIP3 486 67.988 17.874 3.272 1.00 0.00 WT5 H ATOM 52315 OH2 TIP3 489 54.160 95.316 -15.373 1.00 0.00 WT5 O ATOM 52316 H1 TIP3 489 53.293 95.544 -15.710 1.00 0.00 WT5 H ATOM 52317 H2 TIP3 489 54.090 94.391 -15.137 1.00 0.00 WT5 H ATOM 52318 OH2 TIP3 490 81.686 94.431 51.393 1.00 0.00 WT5 O ATOM 52319 H1 TIP3 490 81.359 95.027 52.067 1.00 0.00 WT5 H ATOM 52320 H2 TIP3 490 81.031 93.734 51.351 1.00 0.00 WT5 H ATOM 52321 OH2 TIP3 491 42.278 40.473 -3.373 1.00 0.00 WT5 O ATOM 52322 H1 TIP3 491 42.587 41.232 -2.878 1.00 0.00 WT5 H ATOM 52323 H2 TIP3 491 41.523 40.798 -3.862 1.00 0.00 WT5 H ATOM 52324 OH2 TIP3 494 75.241 3.315 -9.264 1.00 0.00 WT5 O ATOM 52325 H1 TIP3 494 74.384 2.940 -9.061 1.00 0.00 WT5 H ATOM 52326 H2 TIP3 494 75.552 3.667 -8.430 1.00 0.00 WT5 H ATOM 52327 OH2 TIP3 496 82.296 56.386 25.615 1.00 0.00 WT5 O ATOM 52328 H1 TIP3 496 81.364 56.271 25.798 1.00 0.00 WT5 H ATOM 52329 H2 TIP3 496 82.543 57.168 26.109 1.00 0.00 WT5 H ATOM 52330 OH2 TIP3 501 78.197 22.626 11.788 1.00 0.00 WT5 O ATOM 52331 H1 TIP3 501 78.101 23.568 11.652 1.00 0.00 WT5 H ATOM 52332 H2 TIP3 501 79.114 22.511 12.038 1.00 0.00 WT5 H ATOM 52333 OH2 TIP3 502 75.455 48.307 14.742 1.00 0.00 WT5 O ATOM 52334 H1 TIP3 502 75.424 48.760 15.585 1.00 0.00 WT5 H ATOM 52335 H2 TIP3 502 74.589 47.908 14.653 1.00 0.00 WT5 H ATOM 52336 OH2 TIP3 503 50.870 75.906 -14.164 1.00 0.00 WT5 O ATOM 52337 H1 TIP3 503 51.021 75.631 -13.260 1.00 0.00 WT5 H ATOM 52338 H2 TIP3 503 50.027 76.358 -14.140 1.00 0.00 WT5 H ATOM 52339 OH2 TIP3 506 77.360 88.892 -15.060 1.00 0.00 WT5 O ATOM 52340 H1 TIP3 506 78.019 89.581 -15.145 1.00 0.00 WT5 H ATOM 52341 H2 TIP3 506 76.666 89.148 -15.667 1.00 0.00 WT5 H ATOM 52342 OH2 TIP3 509 75.004 7.668 57.643 1.00 0.00 WT5 O ATOM 52343 H1 TIP3 509 74.063 7.496 57.688 1.00 0.00 WT5 H ATOM 52344 H2 TIP3 509 75.400 6.805 57.519 1.00 0.00 WT5 H ATOM 52345 OH2 TIP3 511 26.799 74.110 -15.659 1.00 0.00 WT5 O ATOM 52346 H1 TIP3 511 26.463 74.158 -14.764 1.00 0.00 WT5 H ATOM 52347 H2 TIP3 511 27.224 73.254 -15.710 1.00 0.00 WT5 H ATOM 52348 OH2 TIP3 515 33.249 85.971 62.152 1.00 0.00 WT5 O ATOM 52349 H1 TIP3 515 32.471 85.610 61.728 1.00 0.00 WT5 H ATOM 52350 H2 TIP3 515 32.947 86.243 63.018 1.00 0.00 WT5 H ATOM 52351 OH2 TIP3 516 37.079 77.605 9.591 1.00 0.00 WT5 O ATOM 52352 H1 TIP3 516 37.793 77.201 10.085 1.00 0.00 WT5 H ATOM 52353 H2 TIP3 516 36.930 77.010 8.856 1.00 0.00 WT5 H ATOM 52354 OH2 TIP3 520 58.701 33.306 33.782 1.00 0.00 WT5 O ATOM 52355 H1 TIP3 520 58.262 32.671 33.216 1.00 0.00 WT5 H ATOM 52356 H2 TIP3 520 57.988 33.771 34.220 1.00 0.00 WT5 H ATOM 52357 OH2 TIP3 521 90.265 76.736 20.732 1.00 0.00 WT5 O ATOM 52358 H1 TIP3 521 89.478 76.682 21.274 1.00 0.00 WT5 H ATOM 52359 H2 TIP3 521 89.944 76.998 19.869 1.00 0.00 WT5 H ATOM 52360 OH2 TIP3 526 22.991 79.446 45.208 1.00 0.00 WT5 O ATOM 52361 H1 TIP3 526 23.770 79.791 45.645 1.00 0.00 WT5 H ATOM 52362 H2 TIP3 526 22.882 80.003 44.437 1.00 0.00 WT5 H ATOM 52363 OH2 TIP3 540 78.572 94.911 -18.065 1.00 0.00 WT5 O ATOM 52364 H1 TIP3 540 77.811 95.173 -18.583 1.00 0.00 WT5 H ATOM 52365 H2 TIP3 540 79.308 95.371 -18.468 1.00 0.00 WT5 H ATOM 52366 OH2 TIP3 541 27.215 17.431 -6.420 1.00 0.00 WT5 O ATOM 52367 H1 TIP3 541 27.079 18.023 -5.680 1.00 0.00 WT5 H ATOM 52368 H2 TIP3 541 27.811 16.761 -6.084 1.00 0.00 WT5 H ATOM 52369 OH2 TIP3 545 88.047 81.567 7.940 1.00 0.00 WT5 O ATOM 52370 H1 TIP3 545 88.398 81.611 8.830 1.00 0.00 WT5 H ATOM 52371 H2 TIP3 545 87.355 80.908 7.987 1.00 0.00 WT5 H ATOM 52372 OH2 TIP3 548 29.220 7.852 12.220 1.00 0.00 WT5 O ATOM 52373 H1 TIP3 548 29.553 8.740 12.352 1.00 0.00 WT5 H ATOM 52374 H2 TIP3 548 29.304 7.435 13.077 1.00 0.00 WT5 H ATOM 52375 OH2 TIP3 550 72.695 74.853 5.283 1.00 0.00 WT5 O ATOM 52376 H1 TIP3 550 72.376 73.982 5.520 1.00 0.00 WT5 H ATOM 52377 H2 TIP3 550 72.534 75.386 6.061 1.00 0.00 WT5 H ATOM 52378 OH2 TIP3 551 54.043 21.897 41.782 1.00 0.00 WT5 O ATOM 52379 H1 TIP3 551 54.655 22.337 42.372 1.00 0.00 WT5 H ATOM 52380 H2 TIP3 551 53.731 21.141 42.280 1.00 0.00 WT5 H ATOM 52381 OH2 TIP3 555 76.808 35.350 -0.130 1.00 0.00 WT5 O ATOM 52382 H1 TIP3 555 77.726 35.545 0.057 1.00 0.00 WT5 H ATOM 52383 H2 TIP3 555 76.339 36.148 0.113 1.00 0.00 WT5 H ATOM 52384 OH2 TIP3 556 85.531 82.809 44.152 1.00 0.00 WT5 O ATOM 52385 H1 TIP3 556 86.260 82.285 43.820 1.00 0.00 WT5 H ATOM 52386 H2 TIP3 556 84.866 82.166 44.397 1.00 0.00 WT5 H ATOM 52387 OH2 TIP3 562 21.112 86.241 -2.430 1.00 0.00 WT5 O ATOM 52388 H1 TIP3 562 22.010 86.393 -2.722 1.00 0.00 WT5 H ATOM 52389 H2 TIP3 562 21.146 86.354 -1.480 1.00 0.00 WT5 H ATOM 52390 OH2 TIP3 564 35.832 28.237 19.732 1.00 0.00 WT5 O ATOM 52391 H1 TIP3 564 35.746 29.146 20.021 1.00 0.00 WT5 H ATOM 52392 H2 TIP3 564 34.963 28.007 19.403 1.00 0.00 WT5 H ATOM 52393 OH2 TIP3 566 82.780 84.611 10.001 1.00 0.00 WT5 O ATOM 52394 H1 TIP3 566 83.716 84.475 9.854 1.00 0.00 WT5 H ATOM 52395 H2 TIP3 566 82.351 84.040 9.363 1.00 0.00 WT5 H ATOM 52396 OH2 TIP3 570 88.089 79.811 30.199 1.00 0.00 WT5 O ATOM 52397 H1 TIP3 570 88.012 79.914 29.250 1.00 0.00 WT5 H ATOM 52398 H2 TIP3 570 88.064 80.705 30.540 1.00 0.00 WT5 H ATOM 52399 OH2 TIP3 573 74.341 82.566 48.582 1.00 0.00 WT5 O ATOM 52400 H1 TIP3 573 75.233 82.909 48.541 1.00 0.00 WT5 H ATOM 52401 H2 TIP3 573 74.091 82.437 47.667 1.00 0.00 WT5 H ATOM 52402 OH2 TIP3 575 27.947 96.478 65.821 1.00 0.00 WT5 O ATOM 52403 H1 TIP3 575 27.908 97.067 66.574 1.00 0.00 WT5 H ATOM 52404 H2 TIP3 575 28.235 95.641 66.186 1.00 0.00 WT5 H ATOM 52405 OH2 TIP3 576 68.999 45.088 -15.484 1.00 0.00 WT5 O ATOM 52406 H1 TIP3 576 68.786 45.054 -14.552 1.00 0.00 WT5 H ATOM 52407 H2 TIP3 576 68.461 45.801 -15.827 1.00 0.00 WT5 H ATOM 52408 OH2 TIP3 578 83.891 65.411 56.830 1.00 0.00 WT5 O ATOM 52409 H1 TIP3 578 83.842 65.198 55.899 1.00 0.00 WT5 H ATOM 52410 H2 TIP3 578 84.577 64.837 57.172 1.00 0.00 WT5 H ATOM 52411 OH2 TIP3 584 52.725 8.403 44.131 1.00 0.00 WT5 O ATOM 52412 H1 TIP3 584 52.073 8.342 43.433 1.00 0.00 WT5 H ATOM 52413 H2 TIP3 584 52.378 7.850 44.832 1.00 0.00 WT5 H ATOM 52414 OH2 TIP3 586 60.984 37.558 -10.240 1.00 0.00 WT5 O ATOM 52415 H1 TIP3 586 60.320 37.918 -9.653 1.00 0.00 WT5 H ATOM 52416 H2 TIP3 586 61.810 37.921 -9.921 1.00 0.00 WT5 H ATOM 52417 OH2 TIP3 591 40.586 5.956 58.936 1.00 0.00 WT5 O ATOM 52418 H1 TIP3 591 40.927 6.374 59.727 1.00 0.00 WT5 H ATOM 52419 H2 TIP3 591 40.998 6.434 58.216 1.00 0.00 WT5 H ATOM 52420 OH2 TIP3 593 43.146 29.715 53.876 1.00 0.00 WT5 O ATOM 52421 H1 TIP3 593 43.372 30.483 53.351 1.00 0.00 WT5 H ATOM 52422 H2 TIP3 593 43.886 29.608 54.474 1.00 0.00 WT5 H ATOM 52423 OH2 TIP3 594 24.921 91.262 39.570 1.00 0.00 WT5 O ATOM 52424 H1 TIP3 594 25.526 91.584 38.902 1.00 0.00 WT5 H ATOM 52425 H2 TIP3 594 25.338 90.470 39.909 1.00 0.00 WT5 H ATOM 52426 OH2 TIP3 599 32.323 28.905 28.512 1.00 0.00 WT5 O ATOM 52427 H1 TIP3 599 32.660 29.643 28.005 1.00 0.00 WT5 H ATOM 52428 H2 TIP3 599 31.963 29.304 29.305 1.00 0.00 WT5 H ATOM 52429 OH2 TIP3 600 22.952 41.440 5.535 1.00 0.00 WT5 O ATOM 52430 H1 TIP3 600 23.590 42.116 5.305 1.00 0.00 WT5 H ATOM 52431 H2 TIP3 600 22.176 41.928 5.813 1.00 0.00 WT5 H ATOM 52432 OH2 TIP3 602 50.602 35.028 37.143 1.00 0.00 WT5 O ATOM 52433 H1 TIP3 602 49.797 34.898 36.642 1.00 0.00 WT5 H ATOM 52434 H2 TIP3 602 50.898 35.905 36.900 1.00 0.00 WT5 H ATOM 52435 OH2 TIP3 606 35.999 33.099 60.236 1.00 0.00 WT5 O ATOM 52436 H1 TIP3 606 35.569 32.245 60.214 1.00 0.00 WT5 H ATOM 52437 H2 TIP3 606 35.946 33.371 61.152 1.00 0.00 WT5 H ATOM 52438 OH2 TIP3 610 79.246 25.243 -6.517 1.00 0.00 WT5 O ATOM 52439 H1 TIP3 610 78.706 26.013 -6.693 1.00 0.00 WT5 H ATOM 52440 H2 TIP3 610 78.631 24.589 -6.185 1.00 0.00 WT5 H ATOM 52441 OH2 TIP3 616 37.996 86.707 0.387 1.00 0.00 WT5 O ATOM 52442 H1 TIP3 616 38.190 86.021 -0.252 1.00 0.00 WT5 H ATOM 52443 H2 TIP3 616 38.849 86.951 0.745 1.00 0.00 WT5 H ATOM 52444 OH2 TIP3 626 88.456 73.231 12.546 1.00 0.00 WT5 O ATOM 52445 H1 TIP3 626 88.912 73.607 13.299 1.00 0.00 WT5 H ATOM 52446 H2 TIP3 626 88.743 72.318 12.522 1.00 0.00 WT5 H ATOM 52447 OH2 TIP3 629 23.574 63.926 50.432 1.00 0.00 WT5 O ATOM 52448 H1 TIP3 629 22.954 63.578 51.073 1.00 0.00 WT5 H ATOM 52449 H2 TIP3 629 23.673 64.848 50.670 1.00 0.00 WT5 H ATOM 52450 OH2 TIP3 638 39.657 1.952 19.057 1.00 0.00 WT5 O ATOM 52451 H1 TIP3 638 38.829 2.326 18.754 1.00 0.00 WT5 H ATOM 52452 H2 TIP3 638 39.399 1.224 19.623 1.00 0.00 WT5 H ATOM 52453 OH2 TIP3 639 36.574 41.916 31.360 1.00 0.00 WT5 O ATOM 52454 H1 TIP3 639 37.413 41.510 31.142 1.00 0.00 WT5 H ATOM 52455 H2 TIP3 639 36.416 42.537 30.649 1.00 0.00 WT5 H ATOM 52456 OH2 TIP3 642 55.642 81.235 8.112 1.00 0.00 WT5 O ATOM 52457 H1 TIP3 642 56.075 81.948 7.643 1.00 0.00 WT5 H ATOM 52458 H2 TIP3 642 56.235 80.490 8.017 1.00 0.00 WT5 H ATOM 52459 OH2 TIP3 649 77.448 27.984 38.883 1.00 0.00 WT5 O ATOM 52460 H1 TIP3 649 77.953 27.606 38.164 1.00 0.00 WT5 H ATOM 52461 H2 TIP3 649 76.953 28.698 38.480 1.00 0.00 WT5 H ATOM 52462 OH2 TIP3 650 80.386 74.420 3.917 1.00 0.00 WT5 O ATOM 52463 H1 TIP3 650 79.702 74.762 3.342 1.00 0.00 WT5 H ATOM 52464 H2 TIP3 650 79.936 74.230 4.740 1.00 0.00 WT5 H ATOM 52465 OH2 TIP3 662 57.574 81.967 0.755 1.00 0.00 WT5 O ATOM 52466 H1 TIP3 662 57.112 81.137 0.637 1.00 0.00 WT5 H ATOM 52467 H2 TIP3 662 57.136 82.380 1.500 1.00 0.00 WT5 H ATOM 52468 OH2 TIP3 666 61.144 24.301 19.761 1.00 0.00 WT5 O ATOM 52469 H1 TIP3 666 60.806 24.174 18.875 1.00 0.00 WT5 H ATOM 52470 H2 TIP3 666 60.429 24.729 20.232 1.00 0.00 WT5 H ATOM 52471 OH2 TIP3 668 59.500 37.640 23.208 1.00 0.00 WT5 O ATOM 52472 H1 TIP3 668 59.087 37.060 23.848 1.00 0.00 WT5 H ATOM 52473 H2 TIP3 668 58.767 38.073 22.770 1.00 0.00 WT5 H ATOM 52474 OH2 TIP3 671 45.208 49.502 39.385 1.00 0.00 WT5 O ATOM 52475 H1 TIP3 671 44.559 50.127 39.709 1.00 0.00 WT5 H ATOM 52476 H2 TIP3 671 45.129 49.547 38.432 1.00 0.00 WT5 H ATOM 52477 OH2 TIP3 673 73.671 59.127 28.663 1.00 0.00 WT5 O ATOM 52478 H1 TIP3 673 74.264 58.459 29.006 1.00 0.00 WT5 H ATOM 52479 H2 TIP3 673 72.858 58.656 28.481 1.00 0.00 WT5 H ATOM 52480 OH2 TIP3 677 67.030 54.944 -0.036 1.00 0.00 WT5 O ATOM 52481 H1 TIP3 677 66.483 55.339 0.643 1.00 0.00 WT5 H ATOM 52482 H2 TIP3 677 66.428 54.392 -0.537 1.00 0.00 WT5 H ATOM 52483 OH2 TIP3 678 75.607 55.485 29.424 1.00 0.00 WT5 O ATOM 52484 H1 TIP3 678 75.926 56.333 29.115 1.00 0.00 WT5 H ATOM 52485 H2 TIP3 678 74.655 55.540 29.334 1.00 0.00 WT5 H ATOM 52486 OH2 TIP3 684 37.501 85.885 13.619 1.00 0.00 WT5 O ATOM 52487 H1 TIP3 684 37.064 86.108 12.798 1.00 0.00 WT5 H ATOM 52488 H2 TIP3 684 37.966 86.683 13.869 1.00 0.00 WT5 H ATOM 52489 OH2 TIP3 688 79.808 57.011 -7.949 1.00 0.00 WT5 O ATOM 52490 H1 TIP3 688 79.533 57.928 -7.965 1.00 0.00 WT5 H ATOM 52491 H2 TIP3 688 80.112 56.836 -8.840 1.00 0.00 WT5 H ATOM 52492 OH2 TIP3 691 44.664 77.517 56.201 1.00 0.00 WT5 O ATOM 52493 H1 TIP3 691 43.923 77.936 56.639 1.00 0.00 WT5 H ATOM 52494 H2 TIP3 691 45.156 78.242 55.816 1.00 0.00 WT5 H ATOM 52495 OH2 TIP3 704 45.823 92.862 42.914 1.00 0.00 WT5 O ATOM 52496 H1 TIP3 704 45.467 93.031 42.041 1.00 0.00 WT5 H ATOM 52497 H2 TIP3 704 46.679 93.290 42.911 1.00 0.00 WT5 H ATOM 52498 OH2 TIP3 711 49.222 2.662 36.793 1.00 0.00 WT5 O ATOM 52499 H1 TIP3 711 49.047 1.735 36.630 1.00 0.00 WT5 H ATOM 52500 H2 TIP3 711 50.037 2.667 37.296 1.00 0.00 WT5 H ATOM 52501 OH2 TIP3 715 38.893 12.982 49.079 1.00 0.00 WT5 O ATOM 52502 H1 TIP3 715 38.537 12.415 49.763 1.00 0.00 WT5 H ATOM 52503 H2 TIP3 715 38.640 13.866 49.344 1.00 0.00 WT5 H ATOM 52504 OH2 TIP3 717 45.311 46.855 -14.066 1.00 0.00 WT5 O ATOM 52505 H1 TIP3 717 46.029 46.811 -13.435 1.00 0.00 WT5 H ATOM 52506 H2 TIP3 717 44.559 47.152 -13.554 1.00 0.00 WT5 H ATOM 52507 OH2 TIP3 721 22.731 31.971 3.780 1.00 0.00 WT5 O ATOM 52508 H1 TIP3 721 23.318 32.547 4.270 1.00 0.00 WT5 H ATOM 52509 H2 TIP3 721 22.999 32.075 2.867 1.00 0.00 WT5 H ATOM 52510 OH2 TIP3 722 86.513 6.089 54.745 1.00 0.00 WT5 O ATOM 52511 H1 TIP3 722 86.325 6.471 53.888 1.00 0.00 WT5 H ATOM 52512 H2 TIP3 722 86.907 6.803 55.246 1.00 0.00 WT5 H ATOM 52513 OH2 TIP3 733 83.262 92.744 4.217 1.00 0.00 WT5 O ATOM 52514 H1 TIP3 733 83.489 91.830 4.046 1.00 0.00 WT5 H ATOM 52515 H2 TIP3 733 82.326 92.799 4.021 1.00 0.00 WT5 H ATOM 52516 OH2 TIP3 738 64.455 24.858 -5.864 1.00 0.00 WT5 O ATOM 52517 H1 TIP3 738 65.389 24.698 -5.999 1.00 0.00 WT5 H ATOM 52518 H2 TIP3 738 64.230 24.329 -5.098 1.00 0.00 WT5 H ATOM 52519 OH2 TIP3 746 58.696 26.259 11.260 1.00 0.00 WT5 O ATOM 52520 H1 TIP3 746 59.290 25.514 11.174 1.00 0.00 WT5 H ATOM 52521 H2 TIP3 746 57.894 25.885 11.626 1.00 0.00 WT5 H ATOM 52522 OH2 TIP3 753 76.444 50.607 8.933 1.00 0.00 WT5 O ATOM 52523 H1 TIP3 753 76.330 51.406 9.448 1.00 0.00 WT5 H ATOM 52524 H2 TIP3 753 75.555 50.278 8.800 1.00 0.00 WT5 H ATOM 52525 OH2 TIP3 754 79.931 48.151 0.761 1.00 0.00 WT5 O ATOM 52526 H1 TIP3 754 80.591 48.647 0.275 1.00 0.00 WT5 H ATOM 52527 H2 TIP3 754 80.438 47.579 1.337 1.00 0.00 WT5 H ATOM 52528 OH2 TIP3 761 41.342 63.600 -2.945 1.00 0.00 WT5 O ATOM 52529 H1 TIP3 761 40.632 64.107 -2.551 1.00 0.00 WT5 H ATOM 52530 H2 TIP3 761 41.409 62.817 -2.398 1.00 0.00 WT5 H ATOM 52531 OH2 TIP3 766 21.190 94.387 64.969 1.00 0.00 WT5 O ATOM 52532 H1 TIP3 766 21.453 93.490 64.764 1.00 0.00 WT5 H ATOM 52533 H2 TIP3 766 20.852 94.732 64.144 1.00 0.00 WT5 H ATOM 52534 OH2 TIP3 768 38.040 46.091 -2.035 1.00 0.00 WT5 O ATOM 52535 H1 TIP3 768 38.745 45.527 -2.353 1.00 0.00 WT5 H ATOM 52536 H2 TIP3 768 37.572 45.554 -1.396 1.00 0.00 WT5 H ATOM 52537 OH2 TIP3 771 26.119 75.551 32.766 1.00 0.00 WT5 O ATOM 52538 H1 TIP3 771 26.170 76.506 32.753 1.00 0.00 WT5 H ATOM 52539 H2 TIP3 771 26.313 75.287 31.866 1.00 0.00 WT5 H ATOM 52540 OH2 TIP3 773 37.711 61.156 45.759 1.00 0.00 WT5 O ATOM 52541 H1 TIP3 773 38.121 61.897 45.312 1.00 0.00 WT5 H ATOM 52542 H2 TIP3 773 38.432 60.718 46.211 1.00 0.00 WT5 H ATOM 52543 OH2 TIP3 778 25.546 65.816 19.640 1.00 0.00 WT5 O ATOM 52544 H1 TIP3 778 26.031 66.076 20.424 1.00 0.00 WT5 H ATOM 52545 H2 TIP3 778 26.057 66.173 18.913 1.00 0.00 WT5 H ATOM 52546 OH2 TIP3 779 30.135 1.889 7.263 1.00 0.00 WT5 O ATOM 52547 H1 TIP3 779 30.855 1.873 7.893 1.00 0.00 WT5 H ATOM 52548 H2 TIP3 779 30.556 2.064 6.421 1.00 0.00 WT5 H ATOM 52549 OH2 TIP3 792 37.795 80.702 -5.846 1.00 0.00 WT5 O ATOM 52550 H1 TIP3 792 37.345 81.531 -5.685 1.00 0.00 WT5 H ATOM 52551 H2 TIP3 792 37.562 80.153 -5.097 1.00 0.00 WT5 H ATOM 52552 OH2 TIP3 807 73.675 59.715 -6.573 1.00 0.00 WT5 O ATOM 52553 H1 TIP3 807 73.535 58.825 -6.897 1.00 0.00 WT5 H ATOM 52554 H2 TIP3 807 73.189 59.749 -5.749 1.00 0.00 WT5 H ATOM 52555 OH2 TIP3 808 46.996 84.645 -16.540 1.00 0.00 WT5 O ATOM 52556 H1 TIP3 808 47.061 84.256 -15.668 1.00 0.00 WT5 H ATOM 52557 H2 TIP3 808 46.801 85.568 -16.378 1.00 0.00 WT5 H ATOM 52558 OH2 TIP3 812 28.379 22.554 44.437 1.00 0.00 WT5 O ATOM 52559 H1 TIP3 812 28.438 23.354 43.915 1.00 0.00 WT5 H ATOM 52560 H2 TIP3 812 27.913 21.935 43.874 1.00 0.00 WT5 H ATOM 52561 OH2 TIP3 814 71.669 63.305 19.903 1.00 0.00 WT5 O ATOM 52562 H1 TIP3 814 71.271 62.815 19.183 1.00 0.00 WT5 H ATOM 52563 H2 TIP3 814 71.919 62.635 20.540 1.00 0.00 WT5 H ATOM 52564 OH2 TIP3 820 73.413 81.791 37.261 1.00 0.00 WT5 O ATOM 52565 H1 TIP3 820 72.577 82.131 37.578 1.00 0.00 WT5 H ATOM 52566 H2 TIP3 820 73.182 81.251 36.505 1.00 0.00 WT5 H ATOM 52567 OH2 TIP3 822 40.965 45.977 -13.273 1.00 0.00 WT5 O ATOM 52568 H1 TIP3 822 40.485 46.503 -12.633 1.00 0.00 WT5 H ATOM 52569 H2 TIP3 822 40.559 46.191 -14.113 1.00 0.00 WT5 H ATOM 52570 OH2 TIP3 824 53.839 73.191 7.851 1.00 0.00 WT5 O ATOM 52571 H1 TIP3 824 53.101 73.780 7.694 1.00 0.00 WT5 H ATOM 52572 H2 TIP3 824 53.694 72.854 8.735 1.00 0.00 WT5 H ATOM 52573 OH2 TIP3 827 78.313 8.754 2.472 1.00 0.00 WT5 O ATOM 52574 H1 TIP3 827 78.714 9.420 1.915 1.00 0.00 WT5 H ATOM 52575 H2 TIP3 827 79.004 8.508 3.088 1.00 0.00 WT5 H ATOM 52576 OH2 TIP3 829 49.881 34.686 -0.399 1.00 0.00 WT5 O ATOM 52577 H1 TIP3 829 50.692 34.183 -0.327 1.00 0.00 WT5 H ATOM 52578 H2 TIP3 829 49.399 34.481 0.402 1.00 0.00 WT5 H ATOM 52579 OH2 TIP3 834 74.137 37.187 31.887 1.00 0.00 WT5 O ATOM 52580 H1 TIP3 834 74.918 37.140 32.439 1.00 0.00 WT5 H ATOM 52581 H2 TIP3 834 73.519 37.717 32.390 1.00 0.00 WT5 H ATOM 52582 OH2 TIP3 836 89.079 92.137 1.495 1.00 0.00 WT5 O ATOM 52583 H1 TIP3 836 89.001 91.284 1.922 1.00 0.00 WT5 H ATOM 52584 H2 TIP3 836 88.606 92.738 2.070 1.00 0.00 WT5 H ATOM 52585 OH2 TIP3 843 74.453 33.622 27.056 1.00 0.00 WT5 O ATOM 52586 H1 TIP3 843 73.533 33.596 26.791 1.00 0.00 WT5 H ATOM 52587 H2 TIP3 843 74.920 33.911 26.272 1.00 0.00 WT5 H ATOM 52588 OH2 TIP3 846 21.355 69.869 14.901 1.00 0.00 WT5 O ATOM 52589 H1 TIP3 846 22.110 70.120 14.368 1.00 0.00 WT5 H ATOM 52590 H2 TIP3 846 21.715 69.729 15.776 1.00 0.00 WT5 H ATOM 52591 OH2 TIP3 852 87.620 84.585 -13.686 1.00 0.00 WT5 O ATOM 52592 H1 TIP3 852 88.054 83.733 -13.637 1.00 0.00 WT5 H ATOM 52593 H2 TIP3 852 87.233 84.707 -12.819 1.00 0.00 WT5 H ATOM 52594 OH2 TIP3 854 34.328 96.147 -4.394 1.00 0.00 WT5 O ATOM 52595 H1 TIP3 854 33.737 95.395 -4.396 1.00 0.00 WT5 H ATOM 52596 H2 TIP3 854 34.295 96.477 -3.496 1.00 0.00 WT5 H ATOM 52597 OH2 TIP3 860 25.165 91.830 0.867 1.00 0.00 WT5 O ATOM 52598 H1 TIP3 860 25.008 92.675 0.444 1.00 0.00 WT5 H ATOM 52599 H2 TIP3 860 24.378 91.673 1.389 1.00 0.00 WT5 H ATOM 52600 OH2 TIP3 868 59.343 61.509 60.069 1.00 0.00 WT5 O ATOM 52601 H1 TIP3 868 58.466 61.127 60.109 1.00 0.00 WT5 H ATOM 52602 H2 TIP3 868 59.498 61.846 60.951 1.00 0.00 WT5 H ATOM 52603 OH2 TIP3 878 63.531 76.649 60.280 1.00 0.00 WT5 O ATOM 52604 H1 TIP3 878 62.765 77.144 60.570 1.00 0.00 WT5 H ATOM 52605 H2 TIP3 878 63.571 76.801 59.336 1.00 0.00 WT5 H ATOM 52606 OH2 TIP3 880 21.667 10.219 34.957 1.00 0.00 WT5 O ATOM 52607 H1 TIP3 880 21.315 11.108 34.976 1.00 0.00 WT5 H ATOM 52608 H2 TIP3 880 22.256 10.210 34.202 1.00 0.00 WT5 H ATOM 52609 OH2 TIP3 884 64.270 31.197 51.589 1.00 0.00 WT5 O ATOM 52610 H1 TIP3 884 65.132 31.097 51.993 1.00 0.00 WT5 H ATOM 52611 H2 TIP3 884 64.422 31.036 50.657 1.00 0.00 WT5 H ATOM 52612 OH2 TIP3 889 61.919 95.946 59.512 1.00 0.00 WT5 O ATOM 52613 H1 TIP3 889 62.361 96.556 58.921 1.00 0.00 WT5 H ATOM 52614 H2 TIP3 889 61.137 95.671 59.033 1.00 0.00 WT5 H ATOM 52615 OH2 TIP3 892 42.572 78.157 -10.923 1.00 0.00 WT5 O ATOM 52616 H1 TIP3 892 43.167 77.580 -11.403 1.00 0.00 WT5 H ATOM 52617 H2 TIP3 892 42.768 77.991 -10.001 1.00 0.00 WT5 H ATOM 52618 OH2 TIP3 895 60.616 3.989 -18.744 1.00 0.00 WT5 O ATOM 52619 H1 TIP3 895 60.811 3.612 -17.886 1.00 0.00 WT5 H ATOM 52620 H2 TIP3 895 61.387 3.791 -19.275 1.00 0.00 WT5 H ATOM 52621 OH2 TIP3 898 34.258 37.021 15.837 1.00 0.00 WT5 O ATOM 52622 H1 TIP3 898 34.102 37.149 16.773 1.00 0.00 WT5 H ATOM 52623 H2 TIP3 898 35.211 36.970 15.758 1.00 0.00 WT5 H ATOM 52624 OH2 TIP3 901 81.352 60.314 56.480 1.00 0.00 WT5 O ATOM 52625 H1 TIP3 901 80.858 60.897 55.904 1.00 0.00 WT5 H ATOM 52626 H2 TIP3 901 81.617 59.587 55.916 1.00 0.00 WT5 H ATOM 52627 OH2 TIP3 908 84.814 24.195 -1.608 1.00 0.00 WT5 O ATOM 52628 H1 TIP3 908 84.629 25.125 -1.736 1.00 0.00 WT5 H ATOM 52629 H2 TIP3 908 84.009 23.840 -1.232 1.00 0.00 WT5 H ATOM 52630 OH2 TIP3 919 51.930 38.724 32.617 1.00 0.00 WT5 O ATOM 52631 H1 TIP3 919 52.796 38.549 32.983 1.00 0.00 WT5 H ATOM 52632 H2 TIP3 919 52.056 38.681 31.669 1.00 0.00 WT5 H ATOM 52633 OH2 TIP3 928 62.962 91.883 7.293 1.00 0.00 WT5 O ATOM 52634 H1 TIP3 928 62.316 92.572 7.142 1.00 0.00 WT5 H ATOM 52635 H2 TIP3 928 62.465 91.171 7.695 1.00 0.00 WT5 H ATOM 52636 OH2 TIP3 930 26.785 92.962 31.413 1.00 0.00 WT5 O ATOM 52637 H1 TIP3 930 27.477 92.834 32.061 1.00 0.00 WT5 H ATOM 52638 H2 TIP3 930 26.791 93.903 31.238 1.00 0.00 WT5 H ATOM 52639 OH2 TIP3 933 26.489 9.718 64.943 1.00 0.00 WT5 O ATOM 52640 H1 TIP3 933 26.686 10.423 65.560 1.00 0.00 WT5 H ATOM 52641 H2 TIP3 933 26.264 8.970 65.497 1.00 0.00 WT5 H ATOM 52642 OH2 TIP3 934 27.474 38.578 30.805 1.00 0.00 WT5 O ATOM 52643 H1 TIP3 934 27.240 39.079 30.025 1.00 0.00 WT5 H ATOM 52644 H2 TIP3 934 27.980 39.189 31.341 1.00 0.00 WT5 H ATOM 52645 OH2 TIP3 936 41.332 13.305 -4.620 1.00 0.00 WT5 O ATOM 52646 H1 TIP3 936 40.452 13.086 -4.312 1.00 0.00 WT5 H ATOM 52647 H2 TIP3 936 41.204 14.060 -5.194 1.00 0.00 WT5 H ATOM 52648 OH2 TIP3 940 73.681 79.625 -10.081 1.00 0.00 WT5 O ATOM 52649 H1 TIP3 940 73.214 79.402 -10.886 1.00 0.00 WT5 H ATOM 52650 H2 TIP3 940 73.277 80.441 -9.787 1.00 0.00 WT5 H ATOM 52651 OH2 TIP3 944 21.954 81.369 50.678 1.00 0.00 WT5 O ATOM 52652 H1 TIP3 944 21.800 82.314 50.671 1.00 0.00 WT5 H ATOM 52653 H2 TIP3 944 21.971 81.122 49.754 1.00 0.00 WT5 H ATOM 52654 OH2 TIP3 954 71.158 24.174 6.872 1.00 0.00 WT5 O ATOM 52655 H1 TIP3 954 70.322 23.928 7.267 1.00 0.00 WT5 H ATOM 52656 H2 TIP3 954 71.063 23.944 5.947 1.00 0.00 WT5 H ATOM 52657 OH2 TIP3 958 76.911 46.181 14.569 1.00 0.00 WT5 O ATOM 52658 H1 TIP3 958 76.202 45.616 14.264 1.00 0.00 WT5 H ATOM 52659 H2 TIP3 958 76.531 47.060 14.579 1.00 0.00 WT5 H ATOM 52660 OH2 TIP3 960 29.419 92.362 -16.631 1.00 0.00 WT5 O ATOM 52661 H1 TIP3 960 30.306 92.122 -16.901 1.00 0.00 WT5 H ATOM 52662 H2 TIP3 960 28.863 92.080 -17.357 1.00 0.00 WT5 H ATOM 52663 OH2 TIP3 969 71.414 68.623 0.000 1.00 0.00 WT5 O ATOM 52664 H1 TIP3 969 71.293 67.776 0.428 1.00 0.00 WT5 H ATOM 52665 H2 TIP3 969 71.663 69.217 0.709 1.00 0.00 WT5 H ATOM 52666 OH2 TIP3 978 61.943 47.697 39.664 1.00 0.00 WT5 O ATOM 52667 H1 TIP3 978 61.641 48.592 39.510 1.00 0.00 WT5 H ATOM 52668 H2 TIP3 978 62.599 47.545 38.983 1.00 0.00 WT5 H ATOM 52669 OH2 TIP3 981 67.607 77.626 29.374 1.00 0.00 WT5 O ATOM 52670 H1 TIP3 981 66.918 77.289 29.948 1.00 0.00 WT5 H ATOM 52671 H2 TIP3 981 67.219 78.397 28.961 1.00 0.00 WT5 H ATOM 52672 OH2 TIP3 982 65.103 23.271 -17.373 1.00 0.00 WT5 O ATOM 52673 H1 TIP3 982 65.567 22.537 -16.970 1.00 0.00 WT5 H ATOM 52674 H2 TIP3 982 64.937 22.985 -18.272 1.00 0.00 WT5 H ATOM 52675 OH2 TIP3 983 58.266 35.161 -16.869 1.00 0.00 WT5 O ATOM 52676 H1 TIP3 983 58.435 35.438 -15.969 1.00 0.00 WT5 H ATOM 52677 H2 TIP3 983 57.349 35.386 -17.022 1.00 0.00 WT5 H ATOM 52678 OH2 TIP3 986 81.428 26.242 64.021 1.00 0.00 WT5 O ATOM 52679 H1 TIP3 986 81.676 27.151 64.189 1.00 0.00 WT5 H ATOM 52680 H2 TIP3 986 81.636 25.782 64.834 1.00 0.00 WT5 H ATOM 52681 OH2 TIP3 999 75.366 2.835 57.303 1.00 0.00 WT5 O ATOM 52682 H1 TIP3 999 75.254 2.358 58.126 1.00 0.00 WT5 H ATOM 52683 H2 TIP3 999 76.095 3.432 57.469 1.00 0.00 WT5 H ATOM 52684 OH2 TIP3 1013 29.489 51.464 22.475 1.00 0.00 WT5 O ATOM 52685 H1 TIP3 1013 30.229 51.938 22.096 1.00 0.00 WT5 H ATOM 52686 H2 TIP3 1013 29.660 50.546 22.265 1.00 0.00 WT5 H ATOM 52687 OH2 TIP3 1018 23.320 76.093 63.393 1.00 0.00 WT5 O ATOM 52688 H1 TIP3 1018 22.510 76.579 63.546 1.00 0.00 WT5 H ATOM 52689 H2 TIP3 1018 23.773 76.591 62.712 1.00 0.00 WT5 H ATOM 52690 OH2 TIP3 1019 49.342 6.380 33.687 1.00 0.00 WT5 O ATOM 52691 H1 TIP3 1019 49.684 5.695 33.113 1.00 0.00 WT5 H ATOM 52692 H2 TIP3 1019 49.426 6.018 34.569 1.00 0.00 WT5 H ATOM 52693 OH2 TIP3 1024 27.877 11.895 46.677 1.00 0.00 WT5 O ATOM 52694 H1 TIP3 1024 27.793 12.848 46.716 1.00 0.00 WT5 H ATOM 52695 H2 TIP3 1024 27.430 11.582 47.463 1.00 0.00 WT5 H ATOM 52696 OH2 TIP3 1025 34.075 23.642 46.409 1.00 0.00 WT5 O ATOM 52697 H1 TIP3 1025 33.660 22.798 46.584 1.00 0.00 WT5 H ATOM 52698 H2 TIP3 1025 33.484 24.285 46.801 1.00 0.00 WT5 H ATOM 52699 OH2 TIP3 1043 25.388 11.471 9.404 1.00 0.00 WT5 O ATOM 52700 H1 TIP3 1043 25.880 12.267 9.200 1.00 0.00 WT5 H ATOM 52701 H2 TIP3 1043 25.863 11.077 10.135 1.00 0.00 WT5 H ATOM 52702 OH2 TIP3 1048 41.604 11.901 -14.821 1.00 0.00 WT5 O ATOM 52703 H1 TIP3 1048 42.059 11.619 -14.027 1.00 0.00 WT5 H ATOM 52704 H2 TIP3 1048 42.189 12.548 -15.215 1.00 0.00 WT5 H ATOM 52705 OH2 TIP3 1052 62.468 6.274 36.240 1.00 0.00 WT5 O ATOM 52706 H1 TIP3 1052 62.703 6.225 37.166 1.00 0.00 WT5 H ATOM 52707 H2 TIP3 1052 63.139 6.836 35.851 1.00 0.00 WT5 H ATOM 52708 OH2 TIP3 1061 79.729 65.335 60.478 1.00 0.00 WT5 O ATOM 52709 H1 TIP3 1061 78.994 65.286 59.866 1.00 0.00 WT5 H ATOM 52710 H2 TIP3 1061 79.695 64.509 60.960 1.00 0.00 WT5 H ATOM 52711 OH2 TIP3 1066 90.307 7.902 7.228 1.00 0.00 WT5 O ATOM 52712 H1 TIP3 1066 90.227 8.727 6.749 1.00 0.00 WT5 H ATOM 52713 H2 TIP3 1066 90.536 8.163 8.120 1.00 0.00 WT5 H ATOM 52714 OH2 TIP3 1071 61.557 37.798 -18.355 1.00 0.00 WT5 O ATOM 52715 H1 TIP3 1071 61.656 37.604 -19.287 1.00 0.00 WT5 H ATOM 52716 H2 TIP3 1071 60.722 38.261 -18.294 1.00 0.00 WT5 H ATOM 52717 OH2 TIP3 1076 20.061 27.750 0.592 1.00 0.00 WT5 O ATOM 52718 H1 TIP3 1076 19.633 27.638 1.441 1.00 0.00 WT5 H ATOM 52719 H2 TIP3 1076 20.915 27.332 0.697 1.00 0.00 WT5 H ATOM 52720 OH2 TIP3 1077 36.875 36.276 57.060 1.00 0.00 WT5 O ATOM 52721 H1 TIP3 1077 36.955 36.712 57.908 1.00 0.00 WT5 H ATOM 52722 H2 TIP3 1077 36.585 35.389 57.273 1.00 0.00 WT5 H ATOM 52723 OH2 TIP3 1098 82.824 68.795 66.899 1.00 0.00 WT5 O ATOM 52724 H1 TIP3 1098 82.830 68.409 66.023 1.00 0.00 WT5 H ATOM 52725 H2 TIP3 1098 82.020 68.464 67.301 1.00 0.00 WT5 H ATOM 52726 OH2 TIP3 1104 89.566 22.268 9.376 1.00 0.00 WT5 O ATOM 52727 H1 TIP3 1104 90.055 21.773 8.719 1.00 0.00 WT5 H ATOM 52728 H2 TIP3 1104 90.028 23.104 9.440 1.00 0.00 WT5 H ATOM 52729 OH2 TIP3 1122 20.356 83.357 55.984 1.00 0.00 WT5 O ATOM 52730 H1 TIP3 1122 20.685 84.129 55.523 1.00 0.00 WT5 H ATOM 52731 H2 TIP3 1122 21.125 82.996 56.426 1.00 0.00 WT5 H ATOM 52732 OH2 TIP3 1125 45.280 67.833 -15.801 1.00 0.00 WT5 O ATOM 52733 H1 TIP3 1125 45.139 68.775 -15.901 1.00 0.00 WT5 H ATOM 52734 H2 TIP3 1125 45.102 67.661 -14.876 1.00 0.00 WT5 H ATOM 52735 OH2 TIP3 1138 68.573 38.514 43.199 1.00 0.00 WT5 O ATOM 52736 H1 TIP3 1138 68.220 39.330 42.846 1.00 0.00 WT5 H ATOM 52737 H2 TIP3 1138 68.601 38.654 44.146 1.00 0.00 WT5 H ATOM 52738 OH2 TIP3 1153 78.612 57.073 8.329 1.00 0.00 WT5 O ATOM 52739 H1 TIP3 1153 78.240 56.624 9.089 1.00 0.00 WT5 H ATOM 52740 H2 TIP3 1153 78.993 57.874 8.688 1.00 0.00 WT5 H ATOM 52741 OH2 TIP3 1154 36.905 69.911 35.970 1.00 0.00 WT5 O ATOM 52742 H1 TIP3 1154 36.945 70.759 36.413 1.00 0.00 WT5 H ATOM 52743 H2 TIP3 1154 37.242 69.288 36.614 1.00 0.00 WT5 H ATOM 52744 OH2 TIP3 1163 84.160 54.945 -7.776 1.00 0.00 WT5 O ATOM 52745 H1 TIP3 1163 83.663 54.432 -7.138 1.00 0.00 WT5 H ATOM 52746 H2 TIP3 1163 85.024 54.534 -7.792 1.00 0.00 WT5 H ATOM 52747 OH2 TIP3 1168 24.734 15.496 5.473 1.00 0.00 WT5 O ATOM 52748 H1 TIP3 1168 23.798 15.528 5.275 1.00 0.00 WT5 H ATOM 52749 H2 TIP3 1168 25.068 14.776 4.937 1.00 0.00 WT5 H ATOM 52750 OH2 TIP3 1173 57.404 15.472 56.172 1.00 0.00 WT5 O ATOM 52751 H1 TIP3 1173 56.687 15.927 56.614 1.00 0.00 WT5 H ATOM 52752 H2 TIP3 1173 58.069 16.147 56.036 1.00 0.00 WT5 H ATOM 52753 OH2 TIP3 1182 86.600 34.252 -0.035 1.00 0.00 WT5 O ATOM 52754 H1 TIP3 1182 86.152 33.509 0.370 1.00 0.00 WT5 H ATOM 52755 H2 TIP3 1182 87.494 34.206 0.303 1.00 0.00 WT5 H ATOM 52756 OH2 TIP3 1192 43.173 74.983 30.153 1.00 0.00 WT5 O ATOM 52757 H1 TIP3 1192 43.968 75.041 30.683 1.00 0.00 WT5 H ATOM 52758 H2 TIP3 1192 42.525 74.587 30.735 1.00 0.00 WT5 H ATOM 52759 OH2 TIP3 1194 68.043 40.526 58.319 1.00 0.00 WT5 O ATOM 52760 H1 TIP3 1194 68.458 40.873 57.529 1.00 0.00 WT5 H ATOM 52761 H2 TIP3 1194 67.681 39.682 58.049 1.00 0.00 WT5 H ATOM 52762 OH2 TIP3 1195 88.515 35.502 50.070 1.00 0.00 WT5 O ATOM 52763 H1 TIP3 1195 87.833 35.170 49.487 1.00 0.00 WT5 H ATOM 52764 H2 TIP3 1195 88.193 36.357 50.355 1.00 0.00 WT5 H ATOM 52765 OH2 TIP3 1204 68.131 20.138 -15.369 1.00 0.00 WT5 O ATOM 52766 H1 TIP3 1204 67.748 20.351 -14.518 1.00 0.00 WT5 H ATOM 52767 H2 TIP3 1204 68.924 20.671 -15.415 1.00 0.00 WT5 H ATOM 52768 OH2 TIP3 1207 38.124 62.568 31.416 1.00 0.00 WT5 O ATOM 52769 H1 TIP3 1207 38.362 63.067 32.197 1.00 0.00 WT5 H ATOM 52770 H2 TIP3 1207 38.539 61.714 31.541 1.00 0.00 WT5 H ATOM 52771 OH2 TIP3 1209 67.123 54.220 14.634 1.00 0.00 WT5 O ATOM 52772 H1 TIP3 1209 66.520 54.209 15.378 1.00 0.00 WT5 H ATOM 52773 H2 TIP3 1209 66.833 54.961 14.102 1.00 0.00 WT5 H ATOM 52774 OH2 TIP3 1213 30.857 35.868 66.436 1.00 0.00 WT5 O ATOM 52775 H1 TIP3 1213 31.093 36.557 65.814 1.00 0.00 WT5 H ATOM 52776 H2 TIP3 1213 31.448 36.001 67.177 1.00 0.00 WT5 H ATOM 52777 OH2 TIP3 1216 31.637 50.846 48.184 1.00 0.00 WT5 O ATOM 52778 H1 TIP3 1216 30.771 50.982 48.568 1.00 0.00 WT5 H ATOM 52779 H2 TIP3 1216 31.755 51.588 47.591 1.00 0.00 WT5 H ATOM 52780 OH2 TIP3 1217 86.041 75.126 43.907 1.00 0.00 WT5 O ATOM 52781 H1 TIP3 1217 86.648 74.592 44.419 1.00 0.00 WT5 H ATOM 52782 H2 TIP3 1217 86.138 74.806 43.010 1.00 0.00 WT5 H ATOM 52783 OH2 TIP3 1235 59.745 36.424 35.688 1.00 0.00 WT5 O ATOM 52784 H1 TIP3 1235 60.178 35.773 35.136 1.00 0.00 WT5 H ATOM 52785 H2 TIP3 1235 59.154 35.914 36.242 1.00 0.00 WT5 H ATOM 52786 OH2 TIP3 1240 50.973 61.731 2.556 1.00 0.00 WT5 O ATOM 52787 H1 TIP3 1240 51.217 60.981 3.100 1.00 0.00 WT5 H ATOM 52788 H2 TIP3 1240 51.505 62.453 2.892 1.00 0.00 WT5 H ATOM 52789 OH2 TIP3 1252 77.954 31.949 5.019 1.00 0.00 WT5 O ATOM 52790 H1 TIP3 1252 77.556 32.746 4.668 1.00 0.00 WT5 H ATOM 52791 H2 TIP3 1252 78.306 32.211 5.870 1.00 0.00 WT5 H ATOM 52792 OH2 TIP3 1253 57.523 22.221 -16.730 1.00 0.00 WT5 O ATOM 52793 H1 TIP3 1253 58.006 21.397 -16.671 1.00 0.00 WT5 H ATOM 52794 H2 TIP3 1253 56.661 21.970 -17.064 1.00 0.00 WT5 H ATOM 52795 OH2 TIP3 1258 41.925 46.014 13.123 1.00 0.00 WT5 O ATOM 52796 H1 TIP3 1258 42.649 46.555 12.808 1.00 0.00 WT5 H ATOM 52797 H2 TIP3 1258 41.686 46.399 13.966 1.00 0.00 WT5 H ATOM 52798 OH2 TIP3 1264 35.589 47.202 24.122 1.00 0.00 WT5 O ATOM 52799 H1 TIP3 1264 35.224 46.826 23.321 1.00 0.00 WT5 H ATOM 52800 H2 TIP3 1264 35.161 48.054 24.204 1.00 0.00 WT5 H ATOM 52801 OH2 TIP3 1269 76.787 13.167 -0.141 1.00 0.00 WT5 O ATOM 52802 H1 TIP3 1269 76.981 12.720 0.683 1.00 0.00 WT5 H ATOM 52803 H2 TIP3 1269 75.855 13.008 -0.287 1.00 0.00 WT5 H ATOM 52804 OH2 TIP3 1277 22.619 30.130 19.343 1.00 0.00 WT5 O ATOM 52805 H1 TIP3 1277 22.292 29.602 18.615 1.00 0.00 WT5 H ATOM 52806 H2 TIP3 1277 23.362 29.634 19.686 1.00 0.00 WT5 H ATOM 52807 OH2 TIP3 1278 39.664 50.467 3.343 1.00 0.00 WT5 O ATOM 52808 H1 TIP3 1278 40.468 50.987 3.347 1.00 0.00 WT5 H ATOM 52809 H2 TIP3 1278 39.264 50.638 4.195 1.00 0.00 WT5 H ATOM 52810 OH2 TIP3 1281 68.924 51.319 61.980 1.00 0.00 WT5 O ATOM 52811 H1 TIP3 1281 68.424 50.838 61.321 1.00 0.00 WT5 H ATOM 52812 H2 TIP3 1281 68.341 52.028 62.252 1.00 0.00 WT5 H ATOM 52813 OH2 TIP3 1285 30.821 59.262 -12.733 1.00 0.00 WT5 O ATOM 52814 H1 TIP3 1285 30.595 59.378 -11.811 1.00 0.00 WT5 H ATOM 52815 H2 TIP3 1285 31.341 60.036 -12.952 1.00 0.00 WT5 H ATOM 52816 OH2 TIP3 1287 29.539 88.692 5.578 1.00 0.00 WT5 O ATOM 52817 H1 TIP3 1287 30.245 89.118 6.063 1.00 0.00 WT5 H ATOM 52818 H2 TIP3 1287 29.831 88.708 4.666 1.00 0.00 WT5 H ATOM 52819 OH2 TIP3 1295 63.815 78.742 63.744 1.00 0.00 WT5 O ATOM 52820 H1 TIP3 1295 64.499 78.282 64.231 1.00 0.00 WT5 H ATOM 52821 H2 TIP3 1295 62.995 78.398 64.099 1.00 0.00 WT5 H ATOM 52822 OH2 TIP3 1298 57.496 12.035 37.467 1.00 0.00 WT5 O ATOM 52823 H1 TIP3 1298 57.032 12.681 38.000 1.00 0.00 WT5 H ATOM 52824 H2 TIP3 1298 57.771 12.519 36.688 1.00 0.00 WT5 H ATOM 52825 OH2 TIP3 1301 64.203 25.350 56.996 1.00 0.00 WT5 O ATOM 52826 H1 TIP3 1301 64.170 25.690 57.890 1.00 0.00 WT5 H ATOM 52827 H2 TIP3 1301 63.880 24.452 57.069 1.00 0.00 WT5 H ATOM 52828 OH2 TIP3 1303 35.127 64.074 26.259 1.00 0.00 WT5 O ATOM 52829 H1 TIP3 1303 36.038 63.838 26.435 1.00 0.00 WT5 H ATOM 52830 H2 TIP3 1303 34.994 64.892 26.738 1.00 0.00 WT5 H ATOM 52831 OH2 TIP3 1312 53.344 0.204 -1.729 1.00 0.00 WT5 O ATOM 52832 H1 TIP3 1312 52.451 -0.052 -1.959 1.00 0.00 WT5 H ATOM 52833 H2 TIP3 1312 53.396 1.131 -1.960 1.00 0.00 WT5 H ATOM 52834 OH2 TIP3 1318 58.036 82.085 -10.998 1.00 0.00 WT5 O ATOM 52835 H1 TIP3 1318 58.045 81.156 -10.771 1.00 0.00 WT5 H ATOM 52836 H2 TIP3 1318 57.261 82.433 -10.557 1.00 0.00 WT5 H ATOM 52837 OH2 TIP3 1336 80.704 36.242 -14.022 1.00 0.00 WT5 O ATOM 52838 H1 TIP3 1336 80.978 37.153 -14.127 1.00 0.00 WT5 H ATOM 52839 H2 TIP3 1336 81.357 35.737 -14.507 1.00 0.00 WT5 H ATOM 52840 OH2 TIP3 1345 47.300 51.402 25.440 1.00 0.00 WT5 O ATOM 52841 H1 TIP3 1345 46.988 50.618 24.988 1.00 0.00 WT5 H ATOM 52842 H2 TIP3 1345 48.224 51.224 25.618 1.00 0.00 WT5 H ATOM 52843 OH2 TIP3 1354 78.527 83.557 -19.968 1.00 0.00 WT5 O ATOM 52844 H1 TIP3 1354 78.919 82.930 -20.575 1.00 0.00 WT5 H ATOM 52845 H2 TIP3 1354 78.393 83.059 -19.162 1.00 0.00 WT5 H ATOM 52846 OH2 TIP3 1366 58.343 28.332 49.895 1.00 0.00 WT5 O ATOM 52847 H1 TIP3 1366 57.632 28.266 50.533 1.00 0.00 WT5 H ATOM 52848 H2 TIP3 1366 58.458 29.272 49.760 1.00 0.00 WT5 H ATOM 52849 OH2 TIP3 1370 63.789 4.729 42.748 1.00 0.00 WT5 O ATOM 52850 H1 TIP3 1370 63.071 4.252 42.331 1.00 0.00 WT5 H ATOM 52851 H2 TIP3 1370 63.698 5.626 42.428 1.00 0.00 WT5 H ATOM 52852 OH2 TIP3 1373 81.758 63.192 8.736 1.00 0.00 WT5 O ATOM 52853 H1 TIP3 1373 81.026 63.117 8.123 1.00 0.00 WT5 H ATOM 52854 H2 TIP3 1373 82.402 62.558 8.420 1.00 0.00 WT5 H ATOM 52855 OH2 TIP3 1381 62.803 41.842 -0.986 1.00 0.00 WT5 O ATOM 52856 H1 TIP3 1381 62.409 41.012 -1.257 1.00 0.00 WT5 H ATOM 52857 H2 TIP3 1381 62.483 41.980 -0.095 1.00 0.00 WT5 H ATOM 52858 OH2 TIP3 1382 87.207 61.008 -18.152 1.00 0.00 WT5 O ATOM 52859 H1 TIP3 1382 88.131 60.815 -18.315 1.00 0.00 WT5 H ATOM 52860 H2 TIP3 1382 87.022 61.775 -18.693 1.00 0.00 WT5 H ATOM 52861 OH2 TIP3 1383 90.303 83.434 60.254 1.00 0.00 WT5 O ATOM 52862 H1 TIP3 1383 90.986 82.768 60.173 1.00 0.00 WT5 H ATOM 52863 H2 TIP3 1383 90.777 84.239 60.465 1.00 0.00 WT5 H ATOM 52864 OH2 TIP3 1387 32.217 14.098 61.121 1.00 0.00 WT5 O ATOM 52865 H1 TIP3 1387 31.303 13.955 61.365 1.00 0.00 WT5 H ATOM 52866 H2 TIP3 1387 32.713 13.511 61.693 1.00 0.00 WT5 H ATOM 52867 OH2 TIP3 1395 82.627 38.737 34.251 1.00 0.00 WT5 O ATOM 52868 H1 TIP3 1395 82.710 38.815 35.202 1.00 0.00 WT5 H ATOM 52869 H2 TIP3 1395 83.499 38.478 33.954 1.00 0.00 WT5 H ATOM 52870 OH2 TIP3 1399 35.494 10.743 15.204 1.00 0.00 WT5 O ATOM 52871 H1 TIP3 1399 35.571 11.508 15.774 1.00 0.00 WT5 H ATOM 52872 H2 TIP3 1399 36.375 10.368 15.185 1.00 0.00 WT5 H ATOM 52873 OH2 TIP3 1401 71.367 18.763 -1.086 1.00 0.00 WT5 O ATOM 52874 H1 TIP3 1401 72.120 18.188 -0.951 1.00 0.00 WT5 H ATOM 52875 H2 TIP3 1401 71.679 19.632 -0.833 1.00 0.00 WT5 H ATOM 52876 OH2 TIP3 1408 54.631 54.562 -11.119 1.00 0.00 WT5 O ATOM 52877 H1 TIP3 1408 54.693 55.310 -10.526 1.00 0.00 WT5 H ATOM 52878 H2 TIP3 1408 54.094 54.875 -11.847 1.00 0.00 WT5 H ATOM 52879 OH2 TIP3 1409 38.234 86.645 18.103 1.00 0.00 WT5 O ATOM 52880 H1 TIP3 1409 38.675 86.327 18.890 1.00 0.00 WT5 H ATOM 52881 H2 TIP3 1409 37.458 86.091 18.022 1.00 0.00 WT5 H ATOM 52882 OH2 TIP3 1414 60.107 78.994 40.599 1.00 0.00 WT5 O ATOM 52883 H1 TIP3 1414 60.629 78.641 41.319 1.00 0.00 WT5 H ATOM 52884 H2 TIP3 1414 59.431 78.334 40.445 1.00 0.00 WT5 H ATOM 52885 OH2 TIP3 1429 31.770 66.098 25.096 1.00 0.00 WT5 O ATOM 52886 H1 TIP3 1429 31.958 65.381 24.490 1.00 0.00 WT5 H ATOM 52887 H2 TIP3 1429 32.522 66.117 25.687 1.00 0.00 WT5 H ATOM 52888 OH2 TIP3 1433 27.516 93.940 66.991 1.00 0.00 WT5 O ATOM 52889 H1 TIP3 1433 27.854 94.571 67.626 1.00 0.00 WT5 H ATOM 52890 H2 TIP3 1433 26.576 94.118 66.952 1.00 0.00 WT5 H ATOM 52891 OH2 TIP3 1436 87.610 89.162 56.734 1.00 0.00 WT5 O ATOM 52892 H1 TIP3 1436 88.402 88.633 56.831 1.00 0.00 WT5 H ATOM 52893 H2 TIP3 1436 87.910 90.065 56.839 1.00 0.00 WT5 H ATOM 52894 OH2 TIP3 1440 89.057 87.190 -12.952 1.00 0.00 WT5 O ATOM 52895 H1 TIP3 1440 89.472 86.606 -12.317 1.00 0.00 WT5 H ATOM 52896 H2 TIP3 1440 88.425 86.635 -13.411 1.00 0.00 WT5 H ATOM 52897 OH2 TIP3 1445 69.160 35.151 16.220 1.00 0.00 WT5 O ATOM 52898 H1 TIP3 1445 68.648 35.959 16.245 1.00 0.00 WT5 H ATOM 52899 H2 TIP3 1445 68.691 34.551 16.800 1.00 0.00 WT5 H ATOM 52900 OH2 TIP3 1447 76.616 40.476 35.327 1.00 0.00 WT5 O ATOM 52901 H1 TIP3 1447 76.336 40.483 34.412 1.00 0.00 WT5 H ATOM 52902 H2 TIP3 1447 76.367 41.338 35.661 1.00 0.00 WT5 H ATOM 52903 OH2 TIP3 1451 74.901 75.510 -4.486 1.00 0.00 WT5 O ATOM 52904 H1 TIP3 1451 74.752 75.674 -3.555 1.00 0.00 WT5 H ATOM 52905 H2 TIP3 1451 75.550 74.807 -4.505 1.00 0.00 WT5 H ATOM 52906 OH2 TIP3 1459 72.521 75.826 53.712 1.00 0.00 WT5 O ATOM 52907 H1 TIP3 1459 73.265 75.401 54.140 1.00 0.00 WT5 H ATOM 52908 H2 TIP3 1459 72.630 75.620 52.784 1.00 0.00 WT5 H ATOM 52909 OH2 TIP3 1466 90.393 70.326 46.822 1.00 0.00 WT5 O ATOM 52910 H1 TIP3 1466 90.195 71.186 46.451 1.00 0.00 WT5 H ATOM 52911 H2 TIP3 1466 89.547 69.881 46.861 1.00 0.00 WT5 H ATOM 52912 OH2 TIP3 1473 66.895 94.986 28.699 1.00 0.00 WT5 O ATOM 52913 H1 TIP3 1473 67.706 95.021 29.205 1.00 0.00 WT5 H ATOM 52914 H2 TIP3 1473 66.208 94.862 29.354 1.00 0.00 WT5 H ATOM 52915 OH2 TIP3 1476 85.411 61.610 -13.050 1.00 0.00 WT5 O ATOM 52916 H1 TIP3 1476 86.263 61.597 -12.614 1.00 0.00 WT5 H ATOM 52917 H2 TIP3 1476 85.544 61.108 -13.854 1.00 0.00 WT5 H ATOM 52918 OH2 TIP3 1477 24.151 66.562 9.889 1.00 0.00 WT5 O ATOM 52919 H1 TIP3 1477 24.730 66.948 9.231 1.00 0.00 WT5 H ATOM 52920 H2 TIP3 1477 24.705 66.454 10.662 1.00 0.00 WT5 H ATOM 52921 OH2 TIP3 1480 72.843 88.306 65.432 1.00 0.00 WT5 O ATOM 52922 H1 TIP3 1480 72.413 88.911 66.037 1.00 0.00 WT5 H ATOM 52923 H2 TIP3 1480 73.762 88.313 65.699 1.00 0.00 WT5 H ATOM 52924 OH2 TIP3 1483 31.320 35.246 12.448 1.00 0.00 WT5 O ATOM 52925 H1 TIP3 1483 31.819 34.727 11.817 1.00 0.00 WT5 H ATOM 52926 H2 TIP3 1483 31.751 35.086 13.287 1.00 0.00 WT5 H ATOM 52927 OH2 TIP3 1486 37.175 4.387 32.965 1.00 0.00 WT5 O ATOM 52928 H1 TIP3 1486 38.103 4.245 33.153 1.00 0.00 WT5 H ATOM 52929 H2 TIP3 1486 37.163 5.141 32.374 1.00 0.00 WT5 H ATOM 52930 OH2 TIP3 1492 43.757 47.101 43.618 1.00 0.00 WT5 O ATOM 52931 H1 TIP3 1492 43.275 47.927 43.571 1.00 0.00 WT5 H ATOM 52932 H2 TIP3 1492 44.622 47.308 43.264 1.00 0.00 WT5 H ATOM 52933 OH2 TIP3 1508 89.487 37.517 7.589 1.00 0.00 WT5 O ATOM 52934 H1 TIP3 1508 90.125 38.053 8.060 1.00 0.00 WT5 H ATOM 52935 H2 TIP3 1508 88.751 37.431 8.195 1.00 0.00 WT5 H ATOM 52936 OH2 TIP3 1509 33.935 31.054 60.142 1.00 0.00 WT5 O ATOM 52937 H1 TIP3 1509 33.601 30.361 59.572 1.00 0.00 WT5 H ATOM 52938 H2 TIP3 1509 33.620 30.819 61.015 1.00 0.00 WT5 H ATOM 52939 OH2 TIP3 1518 26.466 84.717 23.731 1.00 0.00 WT5 O ATOM 52940 H1 TIP3 1518 27.007 85.507 23.747 1.00 0.00 WT5 H ATOM 52941 H2 TIP3 1518 25.952 84.762 24.538 1.00 0.00 WT5 H ATOM 52942 OH2 TIP3 1524 58.414 18.808 36.219 1.00 0.00 WT5 O ATOM 52943 H1 TIP3 1524 59.360 18.745 36.091 1.00 0.00 WT5 H ATOM 52944 H2 TIP3 1524 58.148 19.555 35.683 1.00 0.00 WT5 H ATOM 52945 OH2 TIP3 1527 30.620 54.576 -3.302 1.00 0.00 WT5 O ATOM 52946 H1 TIP3 1527 30.210 53.721 -3.170 1.00 0.00 WT5 H ATOM 52947 H2 TIP3 1527 31.231 54.665 -2.571 1.00 0.00 WT5 H ATOM 52948 OH2 TIP3 1546 75.930 56.193 57.659 1.00 0.00 WT5 O ATOM 52949 H1 TIP3 1546 75.477 56.282 58.497 1.00 0.00 WT5 H ATOM 52950 H2 TIP3 1546 75.285 56.470 57.008 1.00 0.00 WT5 H ATOM 52951 OH2 TIP3 1557 24.049 96.400 8.244 1.00 0.00 WT5 O ATOM 52952 H1 TIP3 1557 24.318 97.117 7.671 1.00 0.00 WT5 H ATOM 52953 H2 TIP3 1557 23.341 96.768 8.772 1.00 0.00 WT5 H ATOM 52954 OH2 TIP3 1573 59.526 72.049 -11.623 1.00 0.00 WT5 O ATOM 52955 H1 TIP3 1573 59.879 71.241 -11.251 1.00 0.00 WT5 H ATOM 52956 H2 TIP3 1573 58.744 72.232 -11.103 1.00 0.00 WT5 H ATOM 52957 OH2 TIP3 1574 84.065 87.969 22.556 1.00 0.00 WT5 O ATOM 52958 H1 TIP3 1574 83.564 87.154 22.588 1.00 0.00 WT5 H ATOM 52959 H2 TIP3 1574 83.407 88.650 22.415 1.00 0.00 WT5 H ATOM 52960 OH2 TIP3 1589 42.878 8.623 42.246 1.00 0.00 WT5 O ATOM 52961 H1 TIP3 1589 42.738 7.697 42.048 1.00 0.00 WT5 H ATOM 52962 H2 TIP3 1589 42.229 8.826 42.920 1.00 0.00 WT5 H ATOM 52963 OH2 TIP3 1592 74.572 44.864 -0.401 1.00 0.00 WT5 O ATOM 52964 H1 TIP3 1592 73.629 45.008 -0.329 1.00 0.00 WT5 H ATOM 52965 H2 TIP3 1592 74.956 45.453 0.248 1.00 0.00 WT5 H ATOM 52966 OH2 TIP3 1599 66.992 23.494 -5.704 1.00 0.00 WT5 O ATOM 52967 H1 TIP3 1599 66.481 22.792 -5.301 1.00 0.00 WT5 H ATOM 52968 H2 TIP3 1599 67.688 23.678 -5.072 1.00 0.00 WT5 H ATOM 52969 OH2 TIP3 1600 88.480 63.035 23.959 1.00 0.00 WT5 O ATOM 52970 H1 TIP3 1600 88.896 62.627 23.200 1.00 0.00 WT5 H ATOM 52971 H2 TIP3 1600 87.603 63.269 23.654 1.00 0.00 WT5 H ATOM 52972 OH2 TIP3 1612 65.527 44.759 36.774 1.00 0.00 WT5 O ATOM 52973 H1 TIP3 1612 65.864 45.655 36.753 1.00 0.00 WT5 H ATOM 52974 H2 TIP3 1612 66.049 44.321 37.445 1.00 0.00 WT5 H ATOM 52975 OH2 TIP3 1613 70.495 52.135 -17.883 1.00 0.00 WT5 O ATOM 52976 H1 TIP3 1613 70.673 53.036 -17.614 1.00 0.00 WT5 H ATOM 52977 H2 TIP3 1613 70.562 51.625 -17.076 1.00 0.00 WT5 H ATOM 52978 OH2 TIP3 1615 79.569 69.159 23.777 1.00 0.00 WT5 O ATOM 52979 H1 TIP3 1615 79.698 68.647 22.979 1.00 0.00 WT5 H ATOM 52980 H2 TIP3 1615 78.722 69.587 23.653 1.00 0.00 WT5 H ATOM 52981 OH2 TIP3 1618 84.209 36.960 62.057 1.00 0.00 WT5 O ATOM 52982 H1 TIP3 1618 84.753 37.485 62.644 1.00 0.00 WT5 H ATOM 52983 H2 TIP3 1618 84.623 37.054 61.199 1.00 0.00 WT5 H ATOM 52984 OH2 TIP3 1624 82.005 35.111 56.202 1.00 0.00 WT5 O ATOM 52985 H1 TIP3 1624 81.804 34.871 55.297 1.00 0.00 WT5 H ATOM 52986 H2 TIP3 1624 82.447 35.957 56.133 1.00 0.00 WT5 H ATOM 52987 OH2 TIP3 1625 89.858 69.558 64.717 1.00 0.00 WT5 O ATOM 52988 H1 TIP3 1625 89.762 69.775 63.790 1.00 0.00 WT5 H ATOM 52989 H2 TIP3 1625 88.974 69.324 65.002 1.00 0.00 WT5 H ATOM 52990 OH2 TIP3 1627 25.278 64.222 43.073 1.00 0.00 WT5 O ATOM 52991 H1 TIP3 1627 25.652 63.343 43.135 1.00 0.00 WT5 H ATOM 52992 H2 TIP3 1627 25.744 64.729 43.737 1.00 0.00 WT5 H ATOM 52993 OH2 TIP3 1629 55.711 1.560 63.867 1.00 0.00 WT5 O ATOM 52994 H1 TIP3 1629 55.423 1.492 64.777 1.00 0.00 WT5 H ATOM 52995 H2 TIP3 1629 56.551 1.102 63.846 1.00 0.00 WT5 H ATOM 52996 OH2 TIP3 1631 37.493 82.220 26.952 1.00 0.00 WT5 O ATOM 52997 H1 TIP3 1631 37.229 81.301 26.925 1.00 0.00 WT5 H ATOM 52998 H2 TIP3 1631 38.304 82.253 26.445 1.00 0.00 WT5 H ATOM 52999 OH2 TIP3 1636 35.091 32.168 26.524 1.00 0.00 WT5 O ATOM 53000 H1 TIP3 1636 36.047 32.145 26.491 1.00 0.00 WT5 H ATOM 53001 H2 TIP3 1636 34.861 33.047 26.224 1.00 0.00 WT5 H ATOM 53002 OH2 TIP3 1642 70.318 48.117 12.964 1.00 0.00 WT5 O ATOM 53003 H1 TIP3 1642 69.890 48.801 13.480 1.00 0.00 WT5 H ATOM 53004 H2 TIP3 1642 69.643 47.449 12.845 1.00 0.00 WT5 H ATOM 53005 OH2 TIP3 1648 49.474 43.962 0.050 1.00 0.00 WT5 O ATOM 53006 H1 TIP3 1648 50.408 44.061 -0.136 1.00 0.00 WT5 H ATOM 53007 H2 TIP3 1648 49.440 43.693 0.968 1.00 0.00 WT5 H ATOM 53008 OH2 TIP3 1651 78.411 66.866 -17.813 1.00 0.00 WT5 O ATOM 53009 H1 TIP3 1651 77.856 66.200 -17.408 1.00 0.00 WT5 H ATOM 53010 H2 TIP3 1651 78.137 66.880 -18.730 1.00 0.00 WT5 H ATOM 53011 OH2 TIP3 1656 84.604 46.516 37.731 1.00 0.00 WT5 O ATOM 53012 H1 TIP3 1656 84.666 46.215 36.825 1.00 0.00 WT5 H ATOM 53013 H2 TIP3 1656 83.669 46.669 37.870 1.00 0.00 WT5 H ATOM 53014 OH2 TIP3 1664 46.786 88.599 -6.421 1.00 0.00 WT5 O ATOM 53015 H1 TIP3 1664 46.135 87.916 -6.259 1.00 0.00 WT5 H ATOM 53016 H2 TIP3 1664 47.075 88.447 -7.321 1.00 0.00 WT5 H ATOM 53017 OH2 TIP3 1678 63.551 48.332 30.265 1.00 0.00 WT5 O ATOM 53018 H1 TIP3 1678 62.871 47.691 30.060 1.00 0.00 WT5 H ATOM 53019 H2 TIP3 1678 63.456 49.007 29.593 1.00 0.00 WT5 H ATOM 53020 OH2 TIP3 1691 38.524 50.687 46.486 1.00 0.00 WT5 O ATOM 53021 H1 TIP3 1691 39.461 50.491 46.486 1.00 0.00 WT5 H ATOM 53022 H2 TIP3 1691 38.112 49.884 46.168 1.00 0.00 WT5 H ATOM 53023 OH2 TIP3 1697 42.151 42.481 23.237 1.00 0.00 WT5 O ATOM 53024 H1 TIP3 1697 42.566 43.284 23.554 1.00 0.00 WT5 H ATOM 53025 H2 TIP3 1697 42.877 41.950 22.909 1.00 0.00 WT5 H ATOM 53026 OH2 TIP3 1698 72.218 68.240 4.113 1.00 0.00 WT5 O ATOM 53027 H1 TIP3 1698 72.958 68.705 4.502 1.00 0.00 WT5 H ATOM 53028 H2 TIP3 1698 71.623 68.079 4.845 1.00 0.00 WT5 H ATOM 53029 OH2 TIP3 1706 31.219 3.613 9.881 1.00 0.00 WT5 O ATOM 53030 H1 TIP3 1706 31.883 4.250 10.145 1.00 0.00 WT5 H ATOM 53031 H2 TIP3 1706 30.478 3.783 10.463 1.00 0.00 WT5 H ATOM 53032 OH2 TIP3 1725 52.293 85.988 4.654 1.00 0.00 WT5 O ATOM 53033 H1 TIP3 1725 51.703 86.439 5.257 1.00 0.00 WT5 H ATOM 53034 H2 TIP3 1725 51.772 85.266 4.303 1.00 0.00 WT5 H ATOM 53035 OH2 TIP3 1737 80.272 78.067 63.489 1.00 0.00 WT5 O ATOM 53036 H1 TIP3 1737 81.008 77.590 63.106 1.00 0.00 WT5 H ATOM 53037 H2 TIP3 1737 80.096 78.775 62.869 1.00 0.00 WT5 H ATOM 53038 OH2 TIP3 1751 26.851 57.696 52.816 1.00 0.00 WT5 O ATOM 53039 H1 TIP3 1751 27.639 57.667 52.275 1.00 0.00 WT5 H ATOM 53040 H2 TIP3 1751 26.221 58.195 52.296 1.00 0.00 WT5 H ATOM 53041 OH2 TIP3 1754 68.889 52.507 -3.595 1.00 0.00 WT5 O ATOM 53042 H1 TIP3 1754 69.156 53.427 -3.591 1.00 0.00 WT5 H ATOM 53043 H2 TIP3 1754 68.942 52.238 -2.678 1.00 0.00 WT5 H ATOM 53044 OH2 TIP3 1758 32.202 45.935 48.211 1.00 0.00 WT5 O ATOM 53045 H1 TIP3 1758 32.939 45.477 47.808 1.00 0.00 WT5 H ATOM 53046 H2 TIP3 1758 31.997 45.421 48.992 1.00 0.00 WT5 H ATOM 53047 OH2 TIP3 1763 86.612 83.584 -17.051 1.00 0.00 WT5 O ATOM 53048 H1 TIP3 1763 87.498 83.882 -16.845 1.00 0.00 WT5 H ATOM 53049 H2 TIP3 1763 86.689 83.184 -17.917 1.00 0.00 WT5 H ATOM 53050 OH2 TIP3 1769 39.068 12.348 -15.047 1.00 0.00 WT5 O ATOM 53051 H1 TIP3 1769 39.956 11.992 -15.047 1.00 0.00 WT5 H ATOM 53052 H2 TIP3 1769 38.681 12.029 -14.232 1.00 0.00 WT5 H ATOM 53053 OH2 TIP3 1771 82.836 63.945 51.512 1.00 0.00 WT5 O ATOM 53054 H1 TIP3 1771 82.318 64.406 52.172 1.00 0.00 WT5 H ATOM 53055 H2 TIP3 1771 82.188 63.518 50.952 1.00 0.00 WT5 H ATOM 53056 OH2 TIP3 1775 24.585 7.930 48.064 1.00 0.00 WT5 O ATOM 53057 H1 TIP3 1775 24.456 8.837 48.341 1.00 0.00 WT5 H ATOM 53058 H2 TIP3 1775 25.488 7.903 47.745 1.00 0.00 WT5 H ATOM 53059 OH2 TIP3 1777 70.329 46.692 6.092 1.00 0.00 WT5 O ATOM 53060 H1 TIP3 1777 69.373 46.657 6.059 1.00 0.00 WT5 H ATOM 53061 H2 TIP3 1777 70.553 46.318 6.945 1.00 0.00 WT5 H ATOM 53062 OH2 TIP3 1778 70.256 29.505 3.615 1.00 0.00 WT5 O ATOM 53063 H1 TIP3 1778 70.726 30.265 3.272 1.00 0.00 WT5 H ATOM 53064 H2 TIP3 1778 70.901 28.797 3.600 1.00 0.00 WT5 H ATOM 53065 OH2 TIP3 1779 32.143 0.595 20.693 1.00 0.00 WT5 O ATOM 53066 H1 TIP3 1779 31.354 0.769 20.179 1.00 0.00 WT5 H ATOM 53067 H2 TIP3 1779 32.488 1.462 20.904 1.00 0.00 WT5 H ATOM 53068 OH2 TIP3 1783 34.531 0.123 21.631 1.00 0.00 WT5 O ATOM 53069 H1 TIP3 1783 34.118 0.162 22.494 1.00 0.00 WT5 H ATOM 53070 H2 TIP3 1783 33.805 0.206 21.013 1.00 0.00 WT5 H ATOM 53071 OH2 TIP3 1803 42.270 40.159 15.148 1.00 0.00 WT5 O ATOM 53072 H1 TIP3 1803 43.180 40.012 15.406 1.00 0.00 WT5 H ATOM 53073 H2 TIP3 1803 42.011 40.949 15.623 1.00 0.00 WT5 H ATOM 53074 OH2 TIP3 1812 35.432 77.933 65.063 1.00 0.00 WT5 O ATOM 53075 H1 TIP3 1812 36.364 78.150 65.041 1.00 0.00 WT5 H ATOM 53076 H2 TIP3 1812 35.147 78.191 65.940 1.00 0.00 WT5 H ATOM 53077 OH2 TIP3 1849 59.571 0.480 45.180 1.00 0.00 WT5 O ATOM 53078 H1 TIP3 1849 60.128 -0.002 44.568 1.00 0.00 WT5 H ATOM 53079 H2 TIP3 1849 60.142 1.158 45.540 1.00 0.00 WT5 H ATOM 53080 OH2 TIP3 1853 61.671 32.692 -12.853 1.00 0.00 WT5 O ATOM 53081 H1 TIP3 1853 61.173 33.329 -12.340 1.00 0.00 WT5 H ATOM 53082 H2 TIP3 1853 61.008 32.100 -13.209 1.00 0.00 WT5 H ATOM 53083 OH2 TIP3 1858 72.512 88.982 -11.920 1.00 0.00 WT5 O ATOM 53084 H1 TIP3 1858 71.785 88.578 -12.394 1.00 0.00 WT5 H ATOM 53085 H2 TIP3 1858 73.277 88.826 -12.474 1.00 0.00 WT5 H ATOM 53086 OH2 TIP3 1859 21.092 29.589 29.115 1.00 0.00 WT5 O ATOM 53087 H1 TIP3 1859 21.281 28.936 28.440 1.00 0.00 WT5 H ATOM 53088 H2 TIP3 1859 21.767 30.257 28.996 1.00 0.00 WT5 H ATOM 53089 OH2 TIP3 1864 35.849 34.798 33.197 1.00 0.00 WT5 O ATOM 53090 H1 TIP3 1864 36.646 35.002 32.707 1.00 0.00 WT5 H ATOM 53091 H2 TIP3 1864 35.187 35.386 32.833 1.00 0.00 WT5 H ATOM 53092 OH2 TIP3 1879 42.343 36.860 21.005 1.00 0.00 WT5 O ATOM 53093 H1 TIP3 1879 42.304 36.609 21.928 1.00 0.00 WT5 H ATOM 53094 H2 TIP3 1879 43.248 36.683 20.747 1.00 0.00 WT5 H ATOM 53095 OH2 TIP3 1880 30.796 14.196 36.404 1.00 0.00 WT5 O ATOM 53096 H1 TIP3 1880 29.981 13.702 36.320 1.00 0.00 WT5 H ATOM 53097 H2 TIP3 1880 31.485 13.533 36.359 1.00 0.00 WT5 H ATOM 53098 OH2 TIP3 1882 89.442 6.431 64.299 1.00 0.00 WT5 O ATOM 53099 H1 TIP3 1882 89.905 6.346 63.466 1.00 0.00 WT5 H ATOM 53100 H2 TIP3 1882 89.742 7.267 64.656 1.00 0.00 WT5 H ATOM 53101 OH2 TIP3 1892 72.171 53.786 51.066 1.00 0.00 WT5 O ATOM 53102 H1 TIP3 1892 72.264 53.638 52.007 1.00 0.00 WT5 H ATOM 53103 H2 TIP3 1892 71.242 53.633 50.890 1.00 0.00 WT5 H ATOM 53104 OH2 TIP3 1897 46.226 9.980 2.888 1.00 0.00 WT5 O ATOM 53105 H1 TIP3 1897 46.244 10.880 2.562 1.00 0.00 WT5 H ATOM 53106 H2 TIP3 1897 46.085 10.069 3.830 1.00 0.00 WT5 H ATOM 53107 OH2 TIP3 1898 35.343 22.009 34.933 1.00 0.00 WT5 O ATOM 53108 H1 TIP3 1898 34.995 22.803 34.529 1.00 0.00 WT5 H ATOM 53109 H2 TIP3 1898 35.779 21.547 34.218 1.00 0.00 WT5 H ATOM 53110 OH2 TIP3 1925 66.273 1.238 -8.690 1.00 0.00 WT5 O ATOM 53111 H1 TIP3 1925 66.620 2.127 -8.760 1.00 0.00 WT5 H ATOM 53112 H2 TIP3 1925 67.048 0.683 -8.608 1.00 0.00 WT5 H ATOM 53113 OH2 TIP3 1939 77.459 45.953 55.867 1.00 0.00 WT5 O ATOM 53114 H1 TIP3 1939 77.785 46.851 55.799 1.00 0.00 WT5 H ATOM 53115 H2 TIP3 1939 76.736 45.912 55.241 1.00 0.00 WT5 H ATOM 53116 OH2 TIP3 1949 22.400 21.235 55.056 1.00 0.00 WT5 O ATOM 53117 H1 TIP3 1949 23.270 21.628 54.987 1.00 0.00 WT5 H ATOM 53118 H2 TIP3 1949 22.301 21.034 55.987 1.00 0.00 WT5 H ATOM 53119 OH2 TIP3 1960 74.723 14.779 45.975 1.00 0.00 WT5 O ATOM 53120 H1 TIP3 1960 74.618 14.292 46.792 1.00 0.00 WT5 H ATOM 53121 H2 TIP3 1960 75.027 14.126 45.344 1.00 0.00 WT5 H ATOM 53122 OH2 TIP3 1965 47.649 21.869 20.624 1.00 0.00 WT5 O ATOM 53123 H1 TIP3 1965 47.315 22.339 21.389 1.00 0.00 WT5 H ATOM 53124 H2 TIP3 1965 47.734 22.541 19.948 1.00 0.00 WT5 H ATOM 53125 OH2 TIP3 1978 77.487 39.213 -15.060 1.00 0.00 WT5 O ATOM 53126 H1 TIP3 1978 78.005 38.450 -15.319 1.00 0.00 WT5 H ATOM 53127 H2 TIP3 1978 77.919 39.952 -15.488 1.00 0.00 WT5 H ATOM 53128 OH2 TIP3 1990 88.355 40.933 38.662 1.00 0.00 WT5 O ATOM 53129 H1 TIP3 1990 87.596 40.513 39.067 1.00 0.00 WT5 H ATOM 53130 H2 TIP3 1990 88.302 41.847 38.941 1.00 0.00 WT5 H ATOM 53131 OH2 TIP3 1994 34.825 54.474 38.294 1.00 0.00 WT5 O ATOM 53132 H1 TIP3 1994 34.124 54.338 37.656 1.00 0.00 WT5 H ATOM 53133 H2 TIP3 1994 35.132 55.365 38.127 1.00 0.00 WT5 H ATOM 53134 OH2 TIP3 2000 41.151 93.360 44.444 1.00 0.00 WT5 O ATOM 53135 H1 TIP3 2000 41.295 94.186 43.983 1.00 0.00 WT5 H ATOM 53136 H2 TIP3 2000 42.014 92.948 44.474 1.00 0.00 WT5 H ATOM 53137 OH2 TIP3 2017 74.841 65.685 -12.456 1.00 0.00 WT5 O ATOM 53138 H1 TIP3 2017 74.529 66.292 -13.128 1.00 0.00 WT5 H ATOM 53139 H2 TIP3 2017 74.111 65.613 -11.840 1.00 0.00 WT5 H ATOM 53140 OH2 TIP3 2022 89.077 81.940 44.627 1.00 0.00 WT5 O ATOM 53141 H1 TIP3 2022 88.781 81.865 43.720 1.00 0.00 WT5 H ATOM 53142 H2 TIP3 2022 89.400 82.838 44.700 1.00 0.00 WT5 H ATOM 53143 OH2 TIP3 2025 60.755 95.976 23.538 1.00 0.00 WT5 O ATOM 53144 H1 TIP3 2025 61.705 95.896 23.629 1.00 0.00 WT5 H ATOM 53145 H2 TIP3 2025 60.606 95.995 22.592 1.00 0.00 WT5 H ATOM 53146 OH2 TIP3 2053 38.701 18.752 15.678 1.00 0.00 WT5 O ATOM 53147 H1 TIP3 2053 39.203 18.555 16.469 1.00 0.00 WT5 H ATOM 53148 H2 TIP3 2053 39.339 18.684 14.966 1.00 0.00 WT5 H ATOM 53149 OH2 TIP3 2056 69.099 91.803 46.503 1.00 0.00 WT5 O ATOM 53150 H1 TIP3 2056 68.877 90.960 46.107 1.00 0.00 WT5 H ATOM 53151 H2 TIP3 2056 68.309 92.060 46.978 1.00 0.00 WT5 H ATOM 53152 OH2 TIP3 2058 83.891 63.934 5.284 1.00 0.00 WT5 O ATOM 53153 H1 TIP3 2058 82.960 63.825 5.089 1.00 0.00 WT5 H ATOM 53154 H2 TIP3 2058 84.306 63.152 4.921 1.00 0.00 WT5 H ATOM 53155 OH2 TIP3 2080 90.013 17.270 38.009 1.00 0.00 WT5 O ATOM 53156 H1 TIP3 2080 89.883 17.447 38.941 1.00 0.00 WT5 H ATOM 53157 H2 TIP3 2080 89.845 18.110 37.580 1.00 0.00 WT5 H ATOM 53158 OH2 TIP3 2083 89.582 88.473 20.097 1.00 0.00 WT5 O ATOM 53159 H1 TIP3 2083 90.298 88.973 20.489 1.00 0.00 WT5 H ATOM 53160 H2 TIP3 2083 88.919 89.130 19.883 1.00 0.00 WT5 H ATOM 53161 OH2 TIP3 2085 46.863 21.349 50.887 1.00 0.00 WT5 O ATOM 53162 H1 TIP3 2085 46.588 21.778 50.077 1.00 0.00 WT5 H ATOM 53163 H2 TIP3 2085 46.285 20.590 50.965 1.00 0.00 WT5 H ATOM 53164 OH2 TIP3 2108 53.689 45.362 45.028 1.00 0.00 WT5 O ATOM 53165 H1 TIP3 2108 53.339 45.994 44.401 1.00 0.00 WT5 H ATOM 53166 H2 TIP3 2108 54.099 44.688 44.486 1.00 0.00 WT5 H ATOM 53167 OH2 TIP3 2127 59.731 95.902 -2.741 1.00 0.00 WT5 O ATOM 53168 H1 TIP3 2127 58.982 96.495 -2.802 1.00 0.00 WT5 H ATOM 53169 H2 TIP3 2127 60.064 96.028 -1.853 1.00 0.00 WT5 H ATOM 53170 OH2 TIP3 2132 62.330 33.993 42.934 1.00 0.00 WT5 O ATOM 53171 H1 TIP3 2132 62.167 34.286 42.038 1.00 0.00 WT5 H ATOM 53172 H2 TIP3 2132 63.275 33.840 42.968 1.00 0.00 WT5 H ATOM 53173 OH2 TIP3 2150 44.423 39.191 19.525 1.00 0.00 WT5 O ATOM 53174 H1 TIP3 2150 45.366 39.224 19.686 1.00 0.00 WT5 H ATOM 53175 H2 TIP3 2150 44.331 38.638 18.749 1.00 0.00 WT5 H ATOM 53176 OH2 TIP3 2156 46.182 64.347 52.965 1.00 0.00 WT5 O ATOM 53177 H1 TIP3 2156 47.059 64.271 52.589 1.00 0.00 WT5 H ATOM 53178 H2 TIP3 2156 45.608 63.929 52.324 1.00 0.00 WT5 H ATOM 53179 OH2 TIP3 2160 60.609 77.201 33.491 1.00 0.00 WT5 O ATOM 53180 H1 TIP3 2160 61.431 76.844 33.155 1.00 0.00 WT5 H ATOM 53181 H2 TIP3 2160 59.939 76.858 32.901 1.00 0.00 WT5 H ATOM 53182 OH2 TIP3 2171 52.181 85.635 8.188 1.00 0.00 WT5 O ATOM 53183 H1 TIP3 2171 52.597 85.085 7.524 1.00 0.00 WT5 H ATOM 53184 H2 TIP3 2171 52.177 85.096 8.979 1.00 0.00 WT5 H ATOM 53185 OH2 TIP3 2173 45.616 45.912 31.936 1.00 0.00 WT5 O ATOM 53186 H1 TIP3 2173 44.665 45.840 31.861 1.00 0.00 WT5 H ATOM 53187 H2 TIP3 2173 45.952 45.134 31.491 1.00 0.00 WT5 H ATOM 53188 OH2 TIP3 2179 71.801 52.282 40.369 1.00 0.00 WT5 O ATOM 53189 H1 TIP3 2179 71.337 51.459 40.211 1.00 0.00 WT5 H ATOM 53190 H2 TIP3 2179 71.301 52.709 41.064 1.00 0.00 WT5 H ATOM 53191 OH2 TIP3 2183 69.955 81.724 51.242 1.00 0.00 WT5 O ATOM 53192 H1 TIP3 2183 69.477 80.969 50.898 1.00 0.00 WT5 H ATOM 53193 H2 TIP3 2183 70.877 81.507 51.103 1.00 0.00 WT5 H ATOM 53194 OH2 TIP3 2190 60.660 53.053 0.186 1.00 0.00 WT5 O ATOM 53195 H1 TIP3 2190 61.000 53.625 0.875 1.00 0.00 WT5 H ATOM 53196 H2 TIP3 2190 59.957 52.560 0.608 1.00 0.00 WT5 H ATOM 53197 OH2 TIP3 2231 31.005 73.602 -1.354 1.00 0.00 WT5 O ATOM 53198 H1 TIP3 2231 31.074 73.285 -0.453 1.00 0.00 WT5 H ATOM 53199 H2 TIP3 2231 30.092 73.444 -1.594 1.00 0.00 WT5 H ATOM 53200 OH2 TIP3 2236 26.885 21.491 24.236 1.00 0.00 WT5 O ATOM 53201 H1 TIP3 2236 27.492 22.090 24.670 1.00 0.00 WT5 H ATOM 53202 H2 TIP3 2236 27.040 20.645 24.657 1.00 0.00 WT5 H ATOM 53203 OH2 TIP3 2268 86.856 50.777 -18.231 1.00 0.00 WT5 O ATOM 53204 H1 TIP3 2268 86.131 51.328 -18.525 1.00 0.00 WT5 H ATOM 53205 H2 TIP3 2268 86.653 49.908 -18.577 1.00 0.00 WT5 H ATOM 53206 OH2 TIP3 2270 83.991 95.494 65.468 1.00 0.00 WT5 O ATOM 53207 H1 TIP3 2270 83.124 95.845 65.670 1.00 0.00 WT5 H ATOM 53208 H2 TIP3 2270 84.010 94.641 65.903 1.00 0.00 WT5 H ATOM 53209 OH2 TIP3 2282 31.217 76.456 48.600 1.00 0.00 WT5 O ATOM 53210 H1 TIP3 2282 30.630 76.547 47.849 1.00 0.00 WT5 H ATOM 53211 H2 TIP3 2282 30.710 75.960 49.243 1.00 0.00 WT5 H ATOM 53212 OH2 TIP3 2288 87.815 77.181 21.367 1.00 0.00 WT5 O ATOM 53213 H1 TIP3 2288 87.604 76.876 22.250 1.00 0.00 WT5 H ATOM 53214 H2 TIP3 2288 88.151 78.069 21.494 1.00 0.00 WT5 H ATOM 53215 OH2 TIP3 2290 65.773 21.662 20.823 1.00 0.00 WT5 O ATOM 53216 H1 TIP3 2290 65.289 22.448 21.074 1.00 0.00 WT5 H ATOM 53217 H2 TIP3 2290 66.537 21.656 21.400 1.00 0.00 WT5 H ATOM 53218 OH2 TIP3 2293 82.464 2.525 56.624 1.00 0.00 WT5 O ATOM 53219 H1 TIP3 2293 82.439 2.056 57.458 1.00 0.00 WT5 H ATOM 53220 H2 TIP3 2293 83.290 3.008 56.646 1.00 0.00 WT5 H ATOM 53221 OH2 TIP3 2317 33.236 51.938 -16.872 1.00 0.00 WT5 O ATOM 53222 H1 TIP3 2317 33.987 51.425 -17.169 1.00 0.00 WT5 H ATOM 53223 H2 TIP3 2317 33.563 52.837 -16.825 1.00 0.00 WT5 H ATOM 53224 OH2 TIP3 2323 33.442 31.278 -16.760 1.00 0.00 WT5 O ATOM 53225 H1 TIP3 2323 33.210 32.034 -17.299 1.00 0.00 WT5 H ATOM 53226 H2 TIP3 2323 33.802 30.643 -17.380 1.00 0.00 WT5 H ATOM 53227 OH2 TIP3 2324 32.306 46.978 60.883 1.00 0.00 WT5 O ATOM 53228 H1 TIP3 2324 31.979 47.514 61.605 1.00 0.00 WT5 H ATOM 53229 H2 TIP3 2324 31.829 46.151 60.963 1.00 0.00 WT5 H ATOM 53230 OH2 TIP3 2327 30.846 10.638 34.450 1.00 0.00 WT5 O ATOM 53231 H1 TIP3 2327 30.298 9.890 34.689 1.00 0.00 WT5 H ATOM 53232 H2 TIP3 2327 31.355 10.332 33.699 1.00 0.00 WT5 H ATOM 53233 OH2 TIP3 2357 75.898 91.626 -8.336 1.00 0.00 WT5 O ATOM 53234 H1 TIP3 2357 75.181 91.061 -8.623 1.00 0.00 WT5 H ATOM 53235 H2 TIP3 2357 75.484 92.472 -8.166 1.00 0.00 WT5 H ATOM 53236 OH2 TIP3 2358 65.362 14.336 -0.115 1.00 0.00 WT5 O ATOM 53237 H1 TIP3 2358 64.698 14.231 0.566 1.00 0.00 WT5 H ATOM 53238 H2 TIP3 2358 65.112 13.707 -0.792 1.00 0.00 WT5 H ATOM 53239 OH2 TIP3 2372 33.221 95.950 37.348 1.00 0.00 WT5 O ATOM 53240 H1 TIP3 2372 33.906 95.745 37.984 1.00 0.00 WT5 H ATOM 53241 H2 TIP3 2372 33.452 96.817 37.015 1.00 0.00 WT5 H ATOM 53242 OH2 TIP3 2408 60.525 47.474 33.609 1.00 0.00 WT5 O ATOM 53243 H1 TIP3 2408 61.232 48.078 33.383 1.00 0.00 WT5 H ATOM 53244 H2 TIP3 2408 60.179 47.183 32.765 1.00 0.00 WT5 H ATOM 53245 OH2 TIP3 2410 32.591 26.760 6.784 1.00 0.00 WT5 O ATOM 53246 H1 TIP3 2410 33.535 26.613 6.835 1.00 0.00 WT5 H ATOM 53247 H2 TIP3 2410 32.473 27.665 7.072 1.00 0.00 WT5 H ATOM 53248 OH2 TIP3 2411 75.226 7.388 0.198 1.00 0.00 WT5 O ATOM 53249 H1 TIP3 2411 75.756 7.023 0.906 1.00 0.00 WT5 H ATOM 53250 H2 TIP3 2411 74.450 7.739 0.635 1.00 0.00 WT5 H ATOM 53251 OH2 TIP3 2462 55.211 32.487 62.165 1.00 0.00 WT5 O ATOM 53252 H1 TIP3 2462 55.666 33.031 61.523 1.00 0.00 WT5 H ATOM 53253 H2 TIP3 2462 54.511 32.063 61.668 1.00 0.00 WT5 H ATOM 53254 OH2 TIP3 2468 39.004 45.050 2.216 1.00 0.00 WT5 O ATOM 53255 H1 TIP3 2468 39.344 44.336 2.755 1.00 0.00 WT5 H ATOM 53256 H2 TIP3 2468 39.750 45.324 1.683 1.00 0.00 WT5 H ATOM 53257 OH2 TIP3 2471 67.398 12.280 10.095 1.00 0.00 WT5 O ATOM 53258 H1 TIP3 2471 67.848 12.048 9.283 1.00 0.00 WT5 H ATOM 53259 H2 TIP3 2471 67.625 13.198 10.241 1.00 0.00 WT5 H ATOM 53260 OH2 TIP3 2474 63.724 91.187 30.803 1.00 0.00 WT5 O ATOM 53261 H1 TIP3 2474 63.793 90.832 31.689 1.00 0.00 WT5 H ATOM 53262 H2 TIP3 2474 63.290 90.497 30.301 1.00 0.00 WT5 H ATOM 53263 OH2 TIP3 2500 62.718 56.928 66.970 1.00 0.00 WT5 O ATOM 53264 H1 TIP3 2500 62.705 57.616 67.634 1.00 0.00 WT5 H ATOM 53265 H2 TIP3 2500 61.907 57.053 66.478 1.00 0.00 WT5 H ATOM 53266 OH2 TIP3 2521 89.319 92.496 -8.434 1.00 0.00 WT5 O ATOM 53267 H1 TIP3 2521 89.296 93.045 -7.650 1.00 0.00 WT5 H ATOM 53268 H2 TIP3 2521 88.403 92.422 -8.701 1.00 0.00 WT5 H ATOM 53269 OH2 TIP3 2524 78.484 68.525 3.877 1.00 0.00 WT5 O ATOM 53270 H1 TIP3 2524 78.025 68.073 3.169 1.00 0.00 WT5 H ATOM 53271 H2 TIP3 2524 78.204 68.071 4.672 1.00 0.00 WT5 H ATOM 53272 OH2 TIP3 2525 36.694 63.308 67.003 1.00 0.00 WT5 O ATOM 53273 H1 TIP3 2525 36.048 63.316 66.297 1.00 0.00 WT5 H ATOM 53274 H2 TIP3 2525 36.204 63.576 67.780 1.00 0.00 WT5 H ATOM 53275 OH2 TIP3 2542 45.442 51.186 56.808 1.00 0.00 WT5 O ATOM 53276 H1 TIP3 2542 45.544 51.534 57.694 1.00 0.00 WT5 H ATOM 53277 H2 TIP3 2542 46.053 50.450 56.767 1.00 0.00 WT5 H ATOM 53278 OH2 TIP3 2559 69.910 53.786 12.834 1.00 0.00 WT5 O ATOM 53279 H1 TIP3 2559 69.300 53.152 13.212 1.00 0.00 WT5 H ATOM 53280 H2 TIP3 2559 70.125 54.373 13.558 1.00 0.00 WT5 H ATOM 53281 OH2 TIP3 2560 74.639 65.294 38.431 1.00 0.00 WT5 O ATOM 53282 H1 TIP3 2560 74.307 65.619 37.594 1.00 0.00 WT5 H ATOM 53283 H2 TIP3 2560 73.948 65.501 39.060 1.00 0.00 WT5 H ATOM 53284 OH2 TIP3 2568 38.577 34.329 34.560 1.00 0.00 WT5 O ATOM 53285 H1 TIP3 2568 38.161 34.175 33.712 1.00 0.00 WT5 H ATOM 53286 H2 TIP3 2568 39.014 35.175 34.463 1.00 0.00 WT5 H ATOM 53287 OH2 TIP3 2570 56.008 93.020 16.582 1.00 0.00 WT5 O ATOM 53288 H1 TIP3 2570 56.865 92.609 16.477 1.00 0.00 WT5 H ATOM 53289 H2 TIP3 2570 55.850 93.463 15.748 1.00 0.00 WT5 H ATOM 53290 OH2 TIP3 2603 39.745 82.016 -17.742 1.00 0.00 WT5 O ATOM 53291 H1 TIP3 2603 39.591 81.224 -18.257 1.00 0.00 WT5 H ATOM 53292 H2 TIP3 2603 40.364 81.744 -17.064 1.00 0.00 WT5 H ATOM 53293 OH2 TIP3 2629 51.166 9.437 17.951 1.00 0.00 WT5 O ATOM 53294 H1 TIP3 2629 50.696 10.243 17.736 1.00 0.00 WT5 H ATOM 53295 H2 TIP3 2629 51.867 9.387 17.302 1.00 0.00 WT5 H ATOM 53296 OH2 TIP3 2644 24.228 29.674 0.638 1.00 0.00 WT5 O ATOM 53297 H1 TIP3 2644 25.020 30.091 0.978 1.00 0.00 WT5 H ATOM 53298 H2 TIP3 2644 23.520 30.032 1.174 1.00 0.00 WT5 H ATOM 53299 OH2 TIP3 2705 49.534 86.457 32.772 1.00 0.00 WT5 O ATOM 53300 H1 TIP3 2705 49.155 86.538 31.897 1.00 0.00 WT5 H ATOM 53301 H2 TIP3 2705 48.824 86.109 33.311 1.00 0.00 WT5 H ATOM 53302 OH2 TIP3 2714 21.914 1.073 8.589 1.00 0.00 WT5 O ATOM 53303 H1 TIP3 2714 21.730 1.583 9.378 1.00 0.00 WT5 H ATOM 53304 H2 TIP3 2714 21.246 1.350 7.963 1.00 0.00 WT5 H ATOM 53305 OH2 TIP3 2759 88.065 25.217 33.343 1.00 0.00 WT5 O ATOM 53306 H1 TIP3 2759 87.341 25.530 33.885 1.00 0.00 WT5 H ATOM 53307 H2 TIP3 2759 88.579 26.001 33.152 1.00 0.00 WT5 H ATOM 53308 OH2 TIP3 2780 61.984 20.412 -16.375 1.00 0.00 WT5 O ATOM 53309 H1 TIP3 2780 62.299 20.834 -15.576 1.00 0.00 WT5 H ATOM 53310 H2 TIP3 2780 62.771 20.285 -16.906 1.00 0.00 WT5 H ATOM 53311 OH2 TIP3 2781 51.011 21.863 63.267 1.00 0.00 WT5 O ATOM 53312 H1 TIP3 2781 51.075 21.773 62.316 1.00 0.00 WT5 H ATOM 53313 H2 TIP3 2781 51.355 22.737 63.449 1.00 0.00 WT5 H ATOM 53314 OH2 TIP3 2802 71.715 58.460 44.984 1.00 0.00 WT5 O ATOM 53315 H1 TIP3 2802 71.128 58.743 44.282 1.00 0.00 WT5 H ATOM 53316 H2 TIP3 2802 72.063 57.622 44.681 1.00 0.00 WT5 H ATOM 53317 OH2 TIP3 2855 64.042 21.408 29.695 1.00 0.00 WT5 O ATOM 53318 H1 TIP3 2855 64.046 22.171 30.273 1.00 0.00 WT5 H ATOM 53319 H2 TIP3 2855 64.864 21.471 29.209 1.00 0.00 WT5 H ATOM 53320 OH2 TIP3 2872 31.333 70.340 29.738 1.00 0.00 WT5 O ATOM 53321 H1 TIP3 2872 31.988 70.976 29.451 1.00 0.00 WT5 H ATOM 53322 H2 TIP3 2872 31.323 69.678 29.046 1.00 0.00 WT5 H ATOM 53323 OH2 TIP3 2894 66.637 48.972 -12.868 1.00 0.00 WT5 O ATOM 53324 H1 TIP3 2894 67.041 48.332 -12.281 1.00 0.00 WT5 H ATOM 53325 H2 TIP3 2894 65.879 49.298 -12.383 1.00 0.00 WT5 H ATOM 53326 OH2 TIP3 2895 88.158 69.764 -6.425 1.00 0.00 WT5 O ATOM 53327 H1 TIP3 2895 88.267 70.464 -5.781 1.00 0.00 WT5 H ATOM 53328 H2 TIP3 2895 88.679 69.039 -6.081 1.00 0.00 WT5 H ATOM 53329 OH2 TIP3 2906 76.644 67.363 22.859 1.00 0.00 WT5 O ATOM 53330 H1 TIP3 2906 76.024 66.651 22.697 1.00 0.00 WT5 H ATOM 53331 H2 TIP3 2906 76.179 67.956 23.449 1.00 0.00 WT5 H ATOM 53332 OH2 TIP3 2980 78.624 74.425 35.695 1.00 0.00 WT5 O ATOM 53333 H1 TIP3 2980 78.704 74.017 34.833 1.00 0.00 WT5 H ATOM 53334 H2 TIP3 2980 78.936 75.321 35.566 1.00 0.00 WT5 H ATOM 53335 OH2 TIP3 3029 52.787 26.340 19.481 1.00 0.00 WT5 O ATOM 53336 H1 TIP3 3029 51.869 26.076 19.424 1.00 0.00 WT5 H ATOM 53337 H2 TIP3 3029 52.770 27.292 19.378 1.00 0.00 WT5 H ATOM 53338 OH2 TIP3 3063 31.660 29.289 24.481 1.00 0.00 WT5 O ATOM 53339 H1 TIP3 3063 32.301 29.445 25.175 1.00 0.00 WT5 H ATOM 53340 H2 TIP3 3063 31.906 28.440 24.113 1.00 0.00 WT5 H ATOM 53341 OH2 TIP3 3287 21.384 17.172 -2.967 1.00 0.00 WT5 O ATOM 53342 H1 TIP3 3287 20.785 17.602 -2.356 1.00 0.00 WT5 H ATOM 53343 H2 TIP3 3287 22.046 17.835 -3.161 1.00 0.00 WT5 H ATOM 53344 OH2 TIP3 3294 26.315 83.471 -2.585 1.00 0.00 WT5 O ATOM 53345 H1 TIP3 3294 25.837 82.685 -2.320 1.00 0.00 WT5 H ATOM 53346 H2 TIP3 3294 26.968 83.598 -1.897 1.00 0.00 WT5 H ATOM 53347 OH2 TIP3 3521 83.101 83.416 -14.929 1.00 0.00 WT5 O ATOM 53348 H1 TIP3 3521 82.643 82.883 -14.280 1.00 0.00 WT5 H ATOM 53349 H2 TIP3 3521 83.667 82.798 -15.391 1.00 0.00 WT5 H ATOM 53350 OH2 TIP3 3665 82.364 9.980 36.990 1.00 0.00 WT5 O ATOM 53351 H1 TIP3 3665 83.161 10.163 37.488 1.00 0.00 WT5 H ATOM 53352 H2 TIP3 3665 82.638 9.352 36.322 1.00 0.00 WT5 H ATOM 53353 OH2 TIP3 3877 41.238 54.011 54.608 1.00 0.00 WT5 O ATOM 53354 H1 TIP3 3877 40.857 54.755 54.141 1.00 0.00 WT5 H ATOM 53355 H2 TIP3 3877 41.731 54.407 55.327 1.00 0.00 WT5 H ATOM 53356 OH2 TIP3 5421 89.875 32.685 27.696 1.00 0.00 WT5 O ATOM 53357 H1 TIP3 5421 89.220 33.296 27.359 1.00 0.00 WT5 H ATOM 53358 H2 TIP3 5421 90.335 33.176 28.377 1.00 0.00 WT5 H ATOM 53359 OH2 TIP3 6240 36.778 68.011 57.224 1.00 0.00 WT5 O ATOM 53360 H1 TIP3 6240 36.792 68.660 57.927 1.00 0.00 WT5 H ATOM 53361 H2 TIP3 6240 36.043 68.274 56.670 1.00 0.00 WT5 H ATOM 53362 OH2 TIP3 6350 76.185 79.052 11.072 1.00 0.00 WT5 O ATOM 53363 H1 TIP3 6350 76.507 79.954 11.063 1.00 0.00 WT5 H ATOM 53364 H2 TIP3 6350 75.485 79.041 10.419 1.00 0.00 WT5 H ATOM 53365 OH2 TIP3 6479 77.765 45.993 11.126 1.00 0.00 WT5 O ATOM 53366 H1 TIP3 6479 77.244 45.542 11.790 1.00 0.00 WT5 H ATOM 53367 H2 TIP3 6479 77.819 46.897 11.437 1.00 0.00 WT5 H ATOM 53368 OH2 TIP3 6628 36.103 22.142 27.487 1.00 0.00 WT5 O ATOM 53369 H1 TIP3 6628 36.910 22.654 27.526 1.00 0.00 WT5 H ATOM 53370 H2 TIP3 6628 35.943 22.017 26.552 1.00 0.00 WT5 H ATOM 53371 OH2 TIP3 6650 84.718 0.144 -4.374 1.00 0.00 WT5 O ATOM 53372 H1 TIP3 6650 84.355 0.721 -5.046 1.00 0.00 WT5 H ATOM 53373 H2 TIP3 6650 84.569 -0.740 -4.710 1.00 0.00 WT5 H ATOM 53374 OH2 TIP3 6671 28.620 77.559 6.419 1.00 0.00 WT5 O ATOM 53375 H1 TIP3 6671 29.100 77.018 7.046 1.00 0.00 WT5 H ATOM 53376 H2 TIP3 6671 28.135 76.931 5.882 1.00 0.00 WT5 H ATOM 53377 OH2 TIP3 6751 88.255 73.364 -7.015 1.00 0.00 WT5 O ATOM 53378 H1 TIP3 6751 88.067 74.303 -6.988 1.00 0.00 WT5 H ATOM 53379 H2 TIP3 6751 87.845 73.015 -6.223 1.00 0.00 WT5 H ATOM 53380 OH2 TIP3 6773 67.273 39.361 -8.962 1.00 0.00 WT5 O ATOM 53381 H1 TIP3 6773 67.952 38.820 -9.367 1.00 0.00 WT5 H ATOM 53382 H2 TIP3 6773 66.486 38.815 -8.986 1.00 0.00 WT5 H ATOM 53383 OH2 TIP3 6964 56.890 64.032 -19.679 1.00 0.00 WT5 O ATOM 53384 H1 TIP3 6964 57.171 63.364 -19.054 1.00 0.00 WT5 H ATOM 53385 H2 TIP3 6964 55.946 64.109 -19.540 1.00 0.00 WT5 H ATOM 53386 OH2 TIP3 6980 79.033 78.459 8.214 1.00 0.00 WT5 O ATOM 53387 H1 TIP3 6980 78.255 78.289 7.682 1.00 0.00 WT5 H ATOM 53388 H2 TIP3 6980 78.734 78.354 9.117 1.00 0.00 WT5 H ATOM 53389 OH2 TIP3 7027 69.467 51.950 58.752 1.00 0.00 WT5 O ATOM 53390 H1 TIP3 7027 68.698 52.165 58.226 1.00 0.00 WT5 H ATOM 53391 H2 TIP3 7027 70.209 52.095 58.164 1.00 0.00 WT5 H ATOM 53392 OH2 TIP3 7133 57.962 27.442 46.322 1.00 0.00 WT5 O ATOM 53393 H1 TIP3 7133 58.760 26.958 46.534 1.00 0.00 WT5 H ATOM 53394 H2 TIP3 7133 57.347 26.772 46.024 1.00 0.00 WT5 H ATOM 53395 OH2 TIP3 7165 73.969 20.737 39.764 1.00 0.00 WT5 O ATOM 53396 H1 TIP3 7165 73.614 19.852 39.684 1.00 0.00 WT5 H ATOM 53397 H2 TIP3 7165 73.469 21.254 39.132 1.00 0.00 WT5 H ATOM 53398 OH2 TIP3 7290 56.545 93.977 6.373 1.00 0.00 WT5 O ATOM 53399 H1 TIP3 7290 57.330 93.783 5.861 1.00 0.00 WT5 H ATOM 53400 H2 TIP3 7290 56.761 94.778 6.850 1.00 0.00 WT5 H ATOM 53401 OH2 TIP3 7295 88.005 94.774 -4.241 1.00 0.00 WT5 O ATOM 53402 H1 TIP3 7295 88.891 94.766 -4.602 1.00 0.00 WT5 H ATOM 53403 H2 TIP3 7295 87.434 94.681 -5.004 1.00 0.00 WT5 H ATOM 53404 OH2 TIP3 7308 81.508 1.248 44.819 1.00 0.00 WT5 O ATOM 53405 H1 TIP3 7308 81.611 1.572 43.924 1.00 0.00 WT5 H ATOM 53406 H2 TIP3 7308 81.127 0.376 44.716 1.00 0.00 WT5 H ATOM 53407 OH2 TIP3 7427 89.197 0.417 54.834 1.00 0.00 WT5 O ATOM 53408 H1 TIP3 7427 89.367 0.801 55.694 1.00 0.00 WT5 H ATOM 53409 H2 TIP3 7427 88.324 0.031 54.911 1.00 0.00 WT5 H ATOM 53410 OH2 TIP3 7532 29.561 28.245 64.251 1.00 0.00 WT5 O ATOM 53411 H1 TIP3 7532 29.426 27.622 64.965 1.00 0.00 WT5 H ATOM 53412 H2 TIP3 7532 30.433 28.038 63.914 1.00 0.00 WT5 H ATOM 53413 OH2 TIP3 7533 90.440 40.088 31.830 1.00 0.00 WT5 O ATOM 53414 H1 TIP3 7533 90.240 40.940 31.441 1.00 0.00 WT5 H ATOM 53415 H2 TIP3 7533 90.978 40.292 32.594 1.00 0.00 WT5 H ATOM 53416 OH2 TIP3 7537 38.422 12.975 39.290 1.00 0.00 WT5 O ATOM 53417 H1 TIP3 7537 38.684 13.090 38.376 1.00 0.00 WT5 H ATOM 53418 H2 TIP3 7537 37.690 13.581 39.407 1.00 0.00 WT5 H ATOM 53419 OH2 TIP3 7563 30.913 89.261 48.121 1.00 0.00 WT5 O ATOM 53420 H1 TIP3 7563 31.194 88.702 48.845 1.00 0.00 WT5 H ATOM 53421 H2 TIP3 7563 31.555 89.099 47.430 1.00 0.00 WT5 H ATOM 53422 OH2 TIP3 7568 22.856 8.059 44.914 1.00 0.00 WT5 O ATOM 53423 H1 TIP3 7568 23.013 7.537 44.127 1.00 0.00 WT5 H ATOM 53424 H2 TIP3 7568 22.944 7.438 45.637 1.00 0.00 WT5 H ATOM 53425 OH2 TIP3 7576 83.704 86.136 36.451 1.00 0.00 WT5 O ATOM 53426 H1 TIP3 7576 83.928 85.240 36.702 1.00 0.00 WT5 H ATOM 53427 H2 TIP3 7576 83.792 86.148 35.498 1.00 0.00 WT5 H ATOM 53428 OH2 TIP3 7583 59.455 91.425 3.753 1.00 0.00 WT5 O ATOM 53429 H1 TIP3 7583 59.918 90.635 4.029 1.00 0.00 WT5 H ATOM 53430 H2 TIP3 7583 58.553 91.138 3.612 1.00 0.00 WT5 H ATOM 53431 OH2 TIP3 7592 24.955 41.967 13.363 1.00 0.00 WT5 O ATOM 53432 H1 TIP3 7592 24.256 41.726 13.970 1.00 0.00 WT5 H ATOM 53433 H2 TIP3 7592 25.721 42.104 13.921 1.00 0.00 WT5 H ATOM 53434 OH2 TIP3 7603 63.351 63.864 46.753 1.00 0.00 WT5 O ATOM 53435 H1 TIP3 7603 63.012 63.081 46.319 1.00 0.00 WT5 H ATOM 53436 H2 TIP3 7603 63.235 63.691 47.687 1.00 0.00 WT5 H ATOM 53437 OH2 TIP3 7607 47.731 36.018 45.616 1.00 0.00 WT5 O ATOM 53438 H1 TIP3 7607 48.686 35.992 45.562 1.00 0.00 WT5 H ATOM 53439 H2 TIP3 7607 47.490 36.844 45.196 1.00 0.00 WT5 H ATOM 53440 OH2 TIP3 7630 38.352 6.549 2.309 1.00 0.00 WT5 O ATOM 53441 H1 TIP3 7630 38.020 6.223 3.145 1.00 0.00 WT5 H ATOM 53442 H2 TIP3 7630 39.252 6.814 2.495 1.00 0.00 WT5 H ATOM 53443 OH2 TIP3 7631 21.614 35.002 5.415 1.00 0.00 WT5 O ATOM 53444 H1 TIP3 7631 22.325 34.387 5.239 1.00 0.00 WT5 H ATOM 53445 H2 TIP3 7631 21.918 35.832 5.048 1.00 0.00 WT5 H ATOM 53446 OH2 TIP3 7634 20.478 44.667 24.289 1.00 0.00 WT5 O ATOM 53447 H1 TIP3 7634 21.379 44.653 23.966 1.00 0.00 WT5 H ATOM 53448 H2 TIP3 7634 19.985 45.123 23.606 1.00 0.00 WT5 H ATOM 53449 OH2 TIP3 7642 80.908 33.999 50.762 1.00 0.00 WT5 O ATOM 53450 H1 TIP3 7642 81.613 34.312 50.196 1.00 0.00 WT5 H ATOM 53451 H2 TIP3 7642 80.209 33.748 50.158 1.00 0.00 WT5 H ATOM 53452 OH2 TIP3 7647 54.114 12.816 4.637 1.00 0.00 WT5 O ATOM 53453 H1 TIP3 7647 53.177 12.618 4.668 1.00 0.00 WT5 H ATOM 53454 H2 TIP3 7647 54.510 12.200 5.253 1.00 0.00 WT5 H ATOM 53455 OH2 TIP3 7650 39.356 36.714 21.301 1.00 0.00 WT5 O ATOM 53456 H1 TIP3 7650 40.201 36.445 20.942 1.00 0.00 WT5 H ATOM 53457 H2 TIP3 7650 39.567 37.427 21.904 1.00 0.00 WT5 H ATOM 53458 OH2 TIP3 7661 75.298 23.217 41.168 1.00 0.00 WT5 O ATOM 53459 H1 TIP3 7661 75.592 23.920 40.590 1.00 0.00 WT5 H ATOM 53460 H2 TIP3 7661 75.292 22.437 40.614 1.00 0.00 WT5 H ATOM 53461 OH2 TIP3 7707 66.435 15.898 -19.431 1.00 0.00 WT5 O ATOM 53462 H1 TIP3 7707 65.689 15.615 -19.960 1.00 0.00 WT5 H ATOM 53463 H2 TIP3 7707 66.041 16.280 -18.647 1.00 0.00 WT5 H ATOM 53464 OH2 TIP3 7715 24.614 47.885 57.770 1.00 0.00 WT5 O ATOM 53465 H1 TIP3 7715 24.764 48.389 56.970 1.00 0.00 WT5 H ATOM 53466 H2 TIP3 7715 24.184 48.500 58.364 1.00 0.00 WT5 H ATOM 53467 OH2 TIP3 7739 67.647 36.985 56.522 1.00 0.00 WT5 O ATOM 53468 H1 TIP3 7739 66.690 36.983 56.529 1.00 0.00 WT5 H ATOM 53469 H2 TIP3 7739 67.887 36.069 56.385 1.00 0.00 WT5 H ATOM 53470 OH2 TIP3 7748 23.520 0.034 38.501 1.00 0.00 WT5 O ATOM 53471 H1 TIP3 7748 24.006 0.849 38.626 1.00 0.00 WT5 H ATOM 53472 H2 TIP3 7748 22.612 0.262 38.700 1.00 0.00 WT5 H ATOM 53473 OH2 TIP3 7784 30.474 29.006 37.313 1.00 0.00 WT5 O ATOM 53474 H1 TIP3 7784 31.283 29.493 37.471 1.00 0.00 WT5 H ATOM 53475 H2 TIP3 7784 30.523 28.258 37.908 1.00 0.00 WT5 H ATOM 53476 OH2 TIP3 7833 35.693 64.813 39.877 1.00 0.00 WT5 O ATOM 53477 H1 TIP3 7833 36.079 65.225 39.105 1.00 0.00 WT5 H ATOM 53478 H2 TIP3 7833 35.432 65.546 40.435 1.00 0.00 WT5 H ATOM 53479 OH2 TIP3 7846 37.303 56.113 10.465 1.00 0.00 WT5 O ATOM 53480 H1 TIP3 7846 37.646 55.864 11.324 1.00 0.00 WT5 H ATOM 53481 H2 TIP3 7846 37.806 55.586 9.844 1.00 0.00 WT5 H ATOM 53482 OH2 TIP3 7925 78.191 55.128 -4.625 1.00 0.00 WT5 O ATOM 53483 H1 TIP3 7925 78.793 55.869 -4.697 1.00 0.00 WT5 H ATOM 53484 H2 TIP3 7925 77.370 55.515 -4.319 1.00 0.00 WT5 H ATOM 53485 OH2 TIP3 7944 84.972 27.359 10.885 1.00 0.00 WT5 O ATOM 53486 H1 TIP3 7944 84.042 27.136 10.923 1.00 0.00 WT5 H ATOM 53487 H2 TIP3 7944 85.002 28.185 10.403 1.00 0.00 WT5 H ATOM 53488 OH2 TIP3 7951 45.670 73.240 12.761 1.00 0.00 WT5 O ATOM 53489 H1 TIP3 7951 46.276 73.720 12.197 1.00 0.00 WT5 H ATOM 53490 H2 TIP3 7951 45.636 72.361 12.384 1.00 0.00 WT5 H ATOM 53491 OH2 TIP3 7959 44.122 84.089 59.300 1.00 0.00 WT5 O ATOM 53492 H1 TIP3 7959 43.919 83.155 59.352 1.00 0.00 WT5 H ATOM 53493 H2 TIP3 7959 45.069 84.121 59.162 1.00 0.00 WT5 H ATOM 53494 OH2 TIP3 7978 20.293 78.130 37.643 1.00 0.00 WT5 O ATOM 53495 H1 TIP3 7978 19.696 77.477 38.010 1.00 0.00 WT5 H ATOM 53496 H2 TIP3 7978 21.162 77.739 37.735 1.00 0.00 WT5 H ATOM 53497 OH2 TIP3 7979 71.099 44.466 20.285 1.00 0.00 WT5 O ATOM 53498 H1 TIP3 7979 70.678 44.921 21.014 1.00 0.00 WT5 H ATOM 53499 H2 TIP3 7979 70.461 43.806 20.013 1.00 0.00 WT5 H ATOM 53500 OH2 TIP3 7985 41.324 69.954 -2.216 1.00 0.00 WT5 O ATOM 53501 H1 TIP3 7985 41.579 69.041 -2.349 1.00 0.00 WT5 H ATOM 53502 H2 TIP3 7985 42.146 70.407 -2.030 1.00 0.00 WT5 H ATOM 53503 OH2 TIP3 7997 33.299 26.259 54.376 1.00 0.00 WT5 O ATOM 53504 H1 TIP3 7997 33.110 25.548 54.989 1.00 0.00 WT5 H ATOM 53505 H2 TIP3 7997 34.107 26.652 54.706 1.00 0.00 WT5 H ATOM 53506 OH2 TIP3 7998 37.542 95.047 53.086 1.00 0.00 WT5 O ATOM 53507 H1 TIP3 7998 37.315 95.515 52.282 1.00 0.00 WT5 H ATOM 53508 H2 TIP3 7998 38.232 95.577 53.485 1.00 0.00 WT5 H ATOM 53509 OH2 TIP3 8000 20.631 34.269 29.670 1.00 0.00 WT5 O ATOM 53510 H1 TIP3 8000 20.956 35.147 29.471 1.00 0.00 WT5 H ATOM 53511 H2 TIP3 8000 21.345 33.853 30.153 1.00 0.00 WT5 H ATOM 53512 OH2 TIP3 8014 64.684 12.675 37.552 1.00 0.00 WT5 O ATOM 53513 H1 TIP3 8014 63.759 12.442 37.472 1.00 0.00 WT5 H ATOM 53514 H2 TIP3 8014 65.091 12.318 36.763 1.00 0.00 WT5 H ATOM 53515 OH2 TIP3 8023 33.438 78.525 58.467 1.00 0.00 WT5 O ATOM 53516 H1 TIP3 8023 33.215 77.603 58.340 1.00 0.00 WT5 H ATOM 53517 H2 TIP3 8023 34.302 78.620 58.066 1.00 0.00 WT5 H ATOM 53518 OH2 TIP3 8024 32.827 72.149 58.533 1.00 0.00 WT5 O ATOM 53519 H1 TIP3 8024 32.246 72.338 57.796 1.00 0.00 WT5 H ATOM 53520 H2 TIP3 8024 33.178 71.278 58.345 1.00 0.00 WT5 H ATOM 53521 OH2 TIP3 8031 79.811 35.405 13.126 1.00 0.00 WT5 O ATOM 53522 H1 TIP3 8031 80.401 36.107 12.849 1.00 0.00 WT5 H ATOM 53523 H2 TIP3 8031 79.076 35.858 13.539 1.00 0.00 WT5 H ATOM 53524 OH2 TIP3 8034 30.879 70.337 9.734 1.00 0.00 WT5 O ATOM 53525 H1 TIP3 8034 31.064 71.072 10.319 1.00 0.00 WT5 H ATOM 53526 H2 TIP3 8034 31.444 69.631 10.049 1.00 0.00 WT5 H ATOM 53527 OH2 TIP3 8046 20.218 62.667 -9.244 1.00 0.00 WT5 O ATOM 53528 H1 TIP3 8046 21.150 62.472 -9.347 1.00 0.00 WT5 H ATOM 53529 H2 TIP3 8046 19.834 62.457 -10.095 1.00 0.00 WT5 H ATOM 53530 OH2 TIP3 8064 59.453 4.478 11.163 1.00 0.00 WT5 O ATOM 53531 H1 TIP3 8064 58.853 4.457 11.908 1.00 0.00 WT5 H ATOM 53532 H2 TIP3 8064 59.900 5.321 11.239 1.00 0.00 WT5 H ATOM 53533 OH2 TIP3 8067 75.696 52.700 25.274 1.00 0.00 WT5 O ATOM 53534 H1 TIP3 8067 75.123 52.581 26.032 1.00 0.00 WT5 H ATOM 53535 H2 TIP3 8067 75.240 52.261 24.557 1.00 0.00 WT5 H ATOM 53536 OH2 TIP3 8068 78.623 24.713 46.410 1.00 0.00 WT5 O ATOM 53537 H1 TIP3 8068 78.279 25.500 46.832 1.00 0.00 WT5 H ATOM 53538 H2 TIP3 8068 78.338 23.994 46.975 1.00 0.00 WT5 H ATOM 53539 OH2 TIP3 8079 34.985 29.652 48.306 1.00 0.00 WT5 O ATOM 53540 H1 TIP3 8079 34.077 29.415 48.494 1.00 0.00 WT5 H ATOM 53541 H2 TIP3 8079 35.169 29.247 47.458 1.00 0.00 WT5 H ATOM 53542 OH2 TIP3 8123 41.803 7.582 62.996 1.00 0.00 WT5 O ATOM 53543 H1 TIP3 8123 41.433 8.405 62.678 1.00 0.00 WT5 H ATOM 53544 H2 TIP3 8123 42.439 7.846 63.661 1.00 0.00 WT5 H ATOM 53545 OH2 TIP3 8133 38.549 56.240 2.825 1.00 0.00 WT5 O ATOM 53546 H1 TIP3 8133 39.365 56.573 3.198 1.00 0.00 WT5 H ATOM 53547 H2 TIP3 8133 38.541 55.311 3.057 1.00 0.00 WT5 H ATOM 53548 OH2 TIP3 8136 84.316 50.281 41.084 1.00 0.00 WT5 O ATOM 53549 H1 TIP3 8136 84.240 50.313 40.131 1.00 0.00 WT5 H ATOM 53550 H2 TIP3 8136 84.926 49.562 41.253 1.00 0.00 WT5 H ATOM 53551 OH2 TIP3 8140 45.940 53.804 35.457 1.00 0.00 WT5 O ATOM 53552 H1 TIP3 8140 45.252 53.255 35.082 1.00 0.00 WT5 H ATOM 53553 H2 TIP3 8140 45.594 54.072 36.309 1.00 0.00 WT5 H ATOM 53554 OH2 TIP3 8141 37.524 70.286 59.026 1.00 0.00 WT5 O ATOM 53555 H1 TIP3 8141 36.703 70.768 59.118 1.00 0.00 WT5 H ATOM 53556 H2 TIP3 8141 38.179 70.846 59.443 1.00 0.00 WT5 H ATOM 53557 OH2 TIP3 8161 78.572 35.245 23.062 1.00 0.00 WT5 O ATOM 53558 H1 TIP3 8161 77.985 35.838 23.531 1.00 0.00 WT5 H ATOM 53559 H2 TIP3 8161 78.454 35.472 22.139 1.00 0.00 WT5 H ATOM 53560 OH2 TIP3 8173 22.776 63.842 -10.420 1.00 0.00 WT5 O ATOM 53561 H1 TIP3 8173 22.970 64.110 -11.319 1.00 0.00 WT5 H ATOM 53562 H2 TIP3 8173 23.634 63.688 -10.026 1.00 0.00 WT5 H ATOM 53563 OH2 TIP3 8174 65.492 45.246 57.964 1.00 0.00 WT5 O ATOM 53564 H1 TIP3 8174 65.655 44.321 57.781 1.00 0.00 WT5 H ATOM 53565 H2 TIP3 8174 64.549 45.297 58.120 1.00 0.00 WT5 H ATOM 53566 OH2 TIP3 8176 44.145 7.979 57.180 1.00 0.00 WT5 O ATOM 53567 H1 TIP3 8176 43.384 7.468 56.903 1.00 0.00 WT5 H ATOM 53568 H2 TIP3 8176 43.863 8.409 57.987 1.00 0.00 WT5 H ATOM 53569 OH2 TIP3 8183 60.166 34.700 -18.926 1.00 0.00 WT5 O ATOM 53570 H1 TIP3 8183 60.591 35.435 -19.368 1.00 0.00 WT5 H ATOM 53571 H2 TIP3 8183 59.616 35.108 -18.257 1.00 0.00 WT5 H ATOM 53572 OH2 TIP3 8191 82.751 36.415 48.626 1.00 0.00 WT5 O ATOM 53573 H1 TIP3 8191 83.197 35.599 48.851 1.00 0.00 WT5 H ATOM 53574 H2 TIP3 8191 82.290 36.665 49.426 1.00 0.00 WT5 H ATOM 53575 OH2 TIP3 8193 56.563 25.519 48.365 1.00 0.00 WT5 O ATOM 53576 H1 TIP3 8193 56.276 24.897 49.034 1.00 0.00 WT5 H ATOM 53577 H2 TIP3 8193 56.803 26.305 48.856 1.00 0.00 WT5 H ATOM 53578 OH2 TIP3 8218 66.103 53.510 23.692 1.00 0.00 WT5 O ATOM 53579 H1 TIP3 8218 65.624 52.698 23.860 1.00 0.00 WT5 H ATOM 53580 H2 TIP3 8218 65.711 53.859 22.892 1.00 0.00 WT5 H ATOM 53581 OH2 TIP3 8222 45.806 37.772 -8.165 1.00 0.00 WT5 O ATOM 53582 H1 TIP3 8222 44.860 37.701 -8.291 1.00 0.00 WT5 H ATOM 53583 H2 TIP3 8222 45.904 38.147 -7.290 1.00 0.00 WT5 H ATOM 53584 OH2 TIP3 8229 58.224 14.308 15.915 1.00 0.00 WT5 O ATOM 53585 H1 TIP3 8229 57.673 14.706 15.241 1.00 0.00 WT5 H ATOM 53586 H2 TIP3 8229 58.088 14.853 16.690 1.00 0.00 WT5 H ATOM 53587 OH2 TIP3 8230 70.668 28.282 41.290 1.00 0.00 WT5 O ATOM 53588 H1 TIP3 8230 70.897 27.423 40.934 1.00 0.00 WT5 H ATOM 53589 H2 TIP3 8230 70.366 28.782 40.532 1.00 0.00 WT5 H ATOM 53590 OH2 TIP3 8260 25.519 94.057 63.999 1.00 0.00 WT5 O ATOM 53591 H1 TIP3 8260 25.252 94.949 63.777 1.00 0.00 WT5 H ATOM 53592 H2 TIP3 8260 24.859 93.757 64.624 1.00 0.00 WT5 H ATOM 53593 OH2 TIP3 8263 83.211 95.050 63.000 1.00 0.00 WT5 O ATOM 53594 H1 TIP3 8263 83.165 94.094 63.003 1.00 0.00 WT5 H ATOM 53595 H2 TIP3 8263 83.321 95.288 63.921 1.00 0.00 WT5 H ATOM 53596 OH2 TIP3 8264 72.939 76.904 17.561 1.00 0.00 WT5 O ATOM 53597 H1 TIP3 8264 73.177 76.141 18.088 1.00 0.00 WT5 H ATOM 53598 H2 TIP3 8264 73.233 76.685 16.676 1.00 0.00 WT5 H ATOM 53599 OH2 TIP3 8265 50.071 4.165 32.086 1.00 0.00 WT5 O ATOM 53600 H1 TIP3 8265 50.552 4.833 31.598 1.00 0.00 WT5 H ATOM 53601 H2 TIP3 8265 50.752 3.631 32.497 1.00 0.00 WT5 H ATOM 53602 OH2 TIP3 8266 87.893 31.046 -18.224 1.00 0.00 WT5 O ATOM 53603 H1 TIP3 8266 88.031 31.367 -19.115 1.00 0.00 WT5 H ATOM 53604 H2 TIP3 8266 87.947 31.829 -17.676 1.00 0.00 WT5 H ATOM 53605 OH2 TIP3 8278 75.244 46.584 60.523 1.00 0.00 WT5 O ATOM 53606 H1 TIP3 8278 74.865 46.805 59.672 1.00 0.00 WT5 H ATOM 53607 H2 TIP3 8278 76.061 46.132 60.311 1.00 0.00 WT5 H ATOM 53608 OH2 TIP3 8290 57.126 26.878 18.802 1.00 0.00 WT5 O ATOM 53609 H1 TIP3 8290 56.615 26.178 19.208 1.00 0.00 WT5 H ATOM 53610 H2 TIP3 8290 56.764 27.684 19.171 1.00 0.00 WT5 H ATOM 53611 OH2 TIP3 8308 78.015 54.422 54.074 1.00 0.00 WT5 O ATOM 53612 H1 TIP3 8308 77.352 53.756 54.256 1.00 0.00 WT5 H ATOM 53613 H2 TIP3 8308 78.123 54.399 53.124 1.00 0.00 WT5 H ATOM 53614 OH2 TIP3 8309 69.351 96.564 46.361 1.00 0.00 WT5 O ATOM 53615 H1 TIP3 8309 68.933 96.140 47.110 1.00 0.00 WT5 H ATOM 53616 H2 TIP3 8309 69.883 97.261 46.745 1.00 0.00 WT5 H ATOM 53617 OH2 TIP3 8328 88.743 83.377 62.317 1.00 0.00 WT5 O ATOM 53618 H1 TIP3 8328 88.127 84.078 62.103 1.00 0.00 WT5 H ATOM 53619 H2 TIP3 8328 89.295 83.296 61.540 1.00 0.00 WT5 H ATOM 53620 OH2 TIP3 8330 68.157 40.440 32.343 1.00 0.00 WT5 O ATOM 53621 H1 TIP3 8330 68.416 39.904 31.593 1.00 0.00 WT5 H ATOM 53622 H2 TIP3 8330 67.218 40.582 32.223 1.00 0.00 WT5 H ATOM 53623 OH2 TIP3 8351 33.973 61.601 18.477 1.00 0.00 WT5 O ATOM 53624 H1 TIP3 8351 34.131 60.658 18.514 1.00 0.00 WT5 H ATOM 53625 H2 TIP3 8351 34.845 61.993 18.533 1.00 0.00 WT5 H ATOM 53626 OH2 TIP3 8352 60.745 2.093 0.991 1.00 0.00 WT5 O ATOM 53627 H1 TIP3 8352 61.411 1.411 1.078 1.00 0.00 WT5 H ATOM 53628 H2 TIP3 8352 60.643 2.443 1.876 1.00 0.00 WT5 H ATOM 53629 OH2 TIP3 8357 49.014 91.635 9.669 1.00 0.00 WT5 O ATOM 53630 H1 TIP3 8357 49.762 92.092 10.054 1.00 0.00 WT5 H ATOM 53631 H2 TIP3 8357 49.046 90.758 10.050 1.00 0.00 WT5 H ATOM 53632 OH2 TIP3 8361 82.324 85.964 39.072 1.00 0.00 WT5 O ATOM 53633 H1 TIP3 8361 81.386 86.132 39.165 1.00 0.00 WT5 H ATOM 53634 H2 TIP3 8361 82.558 86.367 38.236 1.00 0.00 WT5 H ATOM 53635 OH2 TIP3 8368 66.486 69.062 18.203 1.00 0.00 WT5 O ATOM 53636 H1 TIP3 8368 65.616 68.688 18.344 1.00 0.00 WT5 H ATOM 53637 H2 TIP3 8368 66.872 68.520 17.515 1.00 0.00 WT5 H ATOM 53638 OH2 TIP3 8375 26.862 83.546 54.208 1.00 0.00 WT5 O ATOM 53639 H1 TIP3 8375 27.295 82.800 54.621 1.00 0.00 WT5 H ATOM 53640 H2 TIP3 8375 26.027 83.197 53.897 1.00 0.00 WT5 H ATOM 53641 OH2 TIP3 8376 38.368 0.737 26.310 1.00 0.00 WT5 O ATOM 53642 H1 TIP3 8376 38.104 1.533 26.773 1.00 0.00 WT5 H ATOM 53643 H2 TIP3 8376 38.524 1.024 25.410 1.00 0.00 WT5 H ATOM 53644 OH2 TIP3 8383 64.985 41.081 -5.549 1.00 0.00 WT5 O ATOM 53645 H1 TIP3 8383 64.363 41.768 -5.309 1.00 0.00 WT5 H ATOM 53646 H2 TIP3 8383 64.452 40.288 -5.616 1.00 0.00 WT5 H ATOM 53647 OH2 TIP3 8393 67.931 28.399 9.732 1.00 0.00 WT5 O ATOM 53648 H1 TIP3 8393 68.621 28.553 9.086 1.00 0.00 WT5 H ATOM 53649 H2 TIP3 8393 67.237 29.013 9.493 1.00 0.00 WT5 H ATOM 53650 OH2 TIP3 8395 65.063 25.488 46.600 1.00 0.00 WT5 O ATOM 53651 H1 TIP3 8395 64.804 24.940 45.860 1.00 0.00 WT5 H ATOM 53652 H2 TIP3 8395 64.978 26.385 46.277 1.00 0.00 WT5 H ATOM 53653 OH2 TIP3 8403 34.331 7.645 40.479 1.00 0.00 WT5 O ATOM 53654 H1 TIP3 8403 34.458 8.583 40.617 1.00 0.00 WT5 H ATOM 53655 H2 TIP3 8403 34.547 7.506 39.557 1.00 0.00 WT5 H ATOM 53656 OH2 TIP3 8408 60.498 33.952 57.457 1.00 0.00 WT5 O ATOM 53657 H1 TIP3 8408 59.661 34.378 57.272 1.00 0.00 WT5 H ATOM 53658 H2 TIP3 8408 60.481 33.151 56.933 1.00 0.00 WT5 H ATOM 53659 OH2 TIP3 8411 36.304 20.445 36.788 1.00 0.00 WT5 O ATOM 53660 H1 TIP3 8411 35.894 21.156 36.296 1.00 0.00 WT5 H ATOM 53661 H2 TIP3 8411 37.110 20.254 36.307 1.00 0.00 WT5 H ATOM 53662 OH2 TIP3 8414 54.170 89.150 63.014 1.00 0.00 WT5 O ATOM 53663 H1 TIP3 8414 53.694 88.345 63.219 1.00 0.00 WT5 H ATOM 53664 H2 TIP3 8414 54.967 89.098 63.542 1.00 0.00 WT5 H ATOM 53665 OH2 TIP3 8419 26.081 1.443 50.805 1.00 0.00 WT5 O ATOM 53666 H1 TIP3 8419 26.889 0.933 50.860 1.00 0.00 WT5 H ATOM 53667 H2 TIP3 8419 25.484 1.016 51.420 1.00 0.00 WT5 H ATOM 53668 OH2 TIP3 8425 55.053 30.971 -18.143 1.00 0.00 WT5 O ATOM 53669 H1 TIP3 8425 54.432 30.516 -18.712 1.00 0.00 WT5 H ATOM 53670 H2 TIP3 8425 55.769 31.226 -18.725 1.00 0.00 WT5 H ATOM 53671 OH2 TIP3 8440 39.950 1.870 38.184 1.00 0.00 WT5 O ATOM 53672 H1 TIP3 8440 40.129 1.905 39.124 1.00 0.00 WT5 H ATOM 53673 H2 TIP3 8440 40.498 1.155 37.861 1.00 0.00 WT5 H ATOM 53674 OH2 TIP3 8448 72.001 24.040 35.463 1.00 0.00 WT5 O ATOM 53675 H1 TIP3 8448 72.255 24.794 34.931 1.00 0.00 WT5 H ATOM 53676 H2 TIP3 8448 72.371 23.286 35.004 1.00 0.00 WT5 H ATOM 53677 OH2 TIP3 8452 24.165 33.155 64.500 1.00 0.00 WT5 O ATOM 53678 H1 TIP3 8452 24.706 33.357 65.263 1.00 0.00 WT5 H ATOM 53679 H2 TIP3 8452 23.313 33.544 64.700 1.00 0.00 WT5 H ATOM 53680 OH2 TIP3 8459 61.268 8.695 13.412 1.00 0.00 WT5 O ATOM 53681 H1 TIP3 8459 60.705 9.403 13.098 1.00 0.00 WT5 H ATOM 53682 H2 TIP3 8459 60.705 7.922 13.410 1.00 0.00 WT5 H ATOM 53683 OH2 TIP3 8466 80.762 35.113 53.525 1.00 0.00 WT5 O ATOM 53684 H1 TIP3 8466 80.646 34.542 52.765 1.00 0.00 WT5 H ATOM 53685 H2 TIP3 8466 79.874 35.382 53.761 1.00 0.00 WT5 H ATOM 53686 OH2 TIP3 8468 40.826 24.108 58.055 1.00 0.00 WT5 O ATOM 53687 H1 TIP3 8468 41.000 23.378 57.461 1.00 0.00 WT5 H ATOM 53688 H2 TIP3 8468 41.509 24.041 58.723 1.00 0.00 WT5 H ATOM 53689 OH2 TIP3 8488 67.361 51.825 21.025 1.00 0.00 WT5 O ATOM 53690 H1 TIP3 8488 66.814 51.768 20.241 1.00 0.00 WT5 H ATOM 53691 H2 TIP3 8488 67.890 52.611 20.891 1.00 0.00 WT5 H ATOM 53692 OH2 TIP3 8492 21.196 37.005 26.235 1.00 0.00 WT5 O ATOM 53693 H1 TIP3 8492 20.512 37.244 25.610 1.00 0.00 WT5 H ATOM 53694 H2 TIP3 8492 21.900 36.645 25.694 1.00 0.00 WT5 H ATOM 53695 OH2 TIP3 8500 51.884 88.310 54.337 1.00 0.00 WT5 O ATOM 53696 H1 TIP3 8500 51.356 87.991 53.606 1.00 0.00 WT5 H ATOM 53697 H2 TIP3 8500 52.777 88.345 53.992 1.00 0.00 WT5 H ATOM 53698 OH2 TIP3 8518 77.568 11.827 60.880 1.00 0.00 WT5 O ATOM 53699 H1 TIP3 8518 77.766 12.088 59.981 1.00 0.00 WT5 H ATOM 53700 H2 TIP3 8518 77.108 10.992 60.791 1.00 0.00 WT5 H ATOM 53701 OH2 TIP3 8520 58.611 12.024 10.931 1.00 0.00 WT5 O ATOM 53702 H1 TIP3 8520 58.166 12.307 10.132 1.00 0.00 WT5 H ATOM 53703 H2 TIP3 8520 58.904 12.836 11.343 1.00 0.00 WT5 H ATOM 53704 OH2 TIP3 8534 53.176 96.448 29.255 1.00 0.00 WT5 O ATOM 53705 H1 TIP3 8534 52.665 96.687 28.482 1.00 0.00 WT5 H ATOM 53706 H2 TIP3 8534 53.880 95.895 28.916 1.00 0.00 WT5 H ATOM 53707 OH2 TIP3 8536 49.071 4.797 -9.596 1.00 0.00 WT5 O ATOM 53708 H1 TIP3 8536 49.886 4.313 -9.457 1.00 0.00 WT5 H ATOM 53709 H2 TIP3 8536 48.614 4.306 -10.279 1.00 0.00 WT5 H ATOM 53710 OH2 TIP3 8537 31.690 40.271 45.510 1.00 0.00 WT5 O ATOM 53711 H1 TIP3 8537 31.520 39.754 46.298 1.00 0.00 WT5 H ATOM 53712 H2 TIP3 8537 31.368 39.726 44.792 1.00 0.00 WT5 H ATOM 53713 OH2 TIP3 8549 86.499 79.478 32.925 1.00 0.00 WT5 O ATOM 53714 H1 TIP3 8549 86.179 79.433 32.025 1.00 0.00 WT5 H ATOM 53715 H2 TIP3 8549 86.729 78.575 33.144 1.00 0.00 WT5 H ATOM 53716 OH2 TIP3 8556 87.342 68.597 -3.240 1.00 0.00 WT5 O ATOM 53717 H1 TIP3 8556 87.413 68.192 -4.104 1.00 0.00 WT5 H ATOM 53718 H2 TIP3 8556 87.145 67.870 -2.649 1.00 0.00 WT5 H ATOM 53719 OH2 TIP3 8558 69.745 82.852 -5.551 1.00 0.00 WT5 O ATOM 53720 H1 TIP3 8558 69.853 82.334 -4.754 1.00 0.00 WT5 H ATOM 53721 H2 TIP3 8558 69.032 82.423 -6.022 1.00 0.00 WT5 H ATOM 53722 OH2 TIP3 8560 23.080 50.633 63.048 1.00 0.00 WT5 O ATOM 53723 H1 TIP3 8560 23.175 51.321 63.707 1.00 0.00 WT5 H ATOM 53724 H2 TIP3 8560 22.574 49.949 63.486 1.00 0.00 WT5 H ATOM 53725 OH2 TIP3 8566 85.381 16.686 0.827 1.00 0.00 WT5 O ATOM 53726 H1 TIP3 8566 84.761 16.060 0.452 1.00 0.00 WT5 H ATOM 53727 H2 TIP3 8566 86.129 16.671 0.229 1.00 0.00 WT5 H ATOM 53728 OH2 TIP3 8567 54.516 68.603 49.931 1.00 0.00 WT5 O ATOM 53729 H1 TIP3 8567 55.425 68.361 49.756 1.00 0.00 WT5 H ATOM 53730 H2 TIP3 8567 54.440 69.502 49.613 1.00 0.00 WT5 H ATOM 53731 OH2 TIP3 8570 32.020 65.931 31.429 1.00 0.00 WT5 O ATOM 53732 H1 TIP3 8570 32.700 65.758 30.779 1.00 0.00 WT5 H ATOM 53733 H2 TIP3 8570 32.329 66.705 31.900 1.00 0.00 WT5 H ATOM 53734 OH2 TIP3 8574 70.569 5.647 46.828 1.00 0.00 WT5 O ATOM 53735 H1 TIP3 8574 70.992 5.439 47.661 1.00 0.00 WT5 H ATOM 53736 H2 TIP3 8574 69.723 5.202 46.870 1.00 0.00 WT5 H ATOM 53737 OH2 TIP3 8585 35.247 24.145 4.906 1.00 0.00 WT5 O ATOM 53738 H1 TIP3 8585 35.146 25.014 4.517 1.00 0.00 WT5 H ATOM 53739 H2 TIP3 8585 35.913 24.261 5.583 1.00 0.00 WT5 H ATOM 53740 OH2 TIP3 8600 21.819 91.911 10.826 1.00 0.00 WT5 O ATOM 53741 H1 TIP3 8600 20.878 92.079 10.795 1.00 0.00 WT5 H ATOM 53742 H2 TIP3 8600 21.898 90.966 10.694 1.00 0.00 WT5 H ATOM 53743 OH2 TIP3 8608 38.387 13.154 19.248 1.00 0.00 WT5 O ATOM 53744 H1 TIP3 8608 37.812 13.918 19.312 1.00 0.00 WT5 H ATOM 53745 H2 TIP3 8608 39.092 13.433 18.665 1.00 0.00 WT5 H ATOM 53746 OH2 TIP3 8622 74.462 63.549 26.793 1.00 0.00 WT5 O ATOM 53747 H1 TIP3 8622 74.388 63.124 25.938 1.00 0.00 WT5 H ATOM 53748 H2 TIP3 8622 73.645 63.327 27.242 1.00 0.00 WT5 H ATOM 53749 OH2 TIP3 8626 32.129 20.895 -11.896 1.00 0.00 WT5 O ATOM 53750 H1 TIP3 8626 32.171 21.630 -11.284 1.00 0.00 WT5 H ATOM 53751 H2 TIP3 8626 31.471 20.309 -11.523 1.00 0.00 WT5 H ATOM 53752 OH2 TIP3 8628 65.251 32.960 65.323 1.00 0.00 WT5 O ATOM 53753 H1 TIP3 8628 64.619 32.264 65.506 1.00 0.00 WT5 H ATOM 53754 H2 TIP3 8628 65.234 33.054 64.371 1.00 0.00 WT5 H ATOM 53755 OH2 TIP3 8642 46.510 46.157 61.797 1.00 0.00 WT5 O ATOM 53756 H1 TIP3 8642 45.630 46.516 61.687 1.00 0.00 WT5 H ATOM 53757 H2 TIP3 8642 46.371 45.298 62.195 1.00 0.00 WT5 H ATOM 53758 OH2 TIP3 8645 59.737 7.053 56.562 1.00 0.00 WT5 O ATOM 53759 H1 TIP3 8645 59.980 7.205 55.649 1.00 0.00 WT5 H ATOM 53760 H2 TIP3 8645 60.479 6.574 56.932 1.00 0.00 WT5 H ATOM 53761 OH2 TIP3 8653 62.764 32.490 53.472 1.00 0.00 WT5 O ATOM 53762 H1 TIP3 8653 63.275 31.887 52.931 1.00 0.00 WT5 H ATOM 53763 H2 TIP3 8653 62.803 33.324 53.004 1.00 0.00 WT5 H ATOM 53764 OH2 TIP3 8658 67.663 48.350 49.698 1.00 0.00 WT5 O ATOM 53765 H1 TIP3 8658 67.952 49.253 49.567 1.00 0.00 WT5 H ATOM 53766 H2 TIP3 8658 67.688 47.961 48.823 1.00 0.00 WT5 H ATOM 53767 OH2 TIP3 8661 66.955 28.817 -7.221 1.00 0.00 WT5 O ATOM 53768 H1 TIP3 8661 66.445 29.410 -6.670 1.00 0.00 WT5 H ATOM 53769 H2 TIP3 8661 67.413 29.392 -7.833 1.00 0.00 WT5 H ATOM 53770 OH2 TIP3 8662 40.232 43.520 53.426 1.00 0.00 WT5 O ATOM 53771 H1 TIP3 8662 40.794 44.255 53.670 1.00 0.00 WT5 H ATOM 53772 H2 TIP3 8662 40.389 42.862 54.104 1.00 0.00 WT5 H ATOM 53773 OH2 TIP3 8666 38.947 50.319 6.043 1.00 0.00 WT5 O ATOM 53774 H1 TIP3 8666 39.840 50.230 6.376 1.00 0.00 WT5 H ATOM 53775 H2 TIP3 8666 38.498 49.530 6.346 1.00 0.00 WT5 H ATOM 53776 OH2 TIP3 8675 67.342 29.367 2.741 1.00 0.00 WT5 O ATOM 53777 H1 TIP3 8675 66.594 29.894 3.021 1.00 0.00 WT5 H ATOM 53778 H2 TIP3 8675 68.103 29.815 3.112 1.00 0.00 WT5 H ATOM 53779 OH2 TIP3 8679 34.899 67.697 11.347 1.00 0.00 WT5 O ATOM 53780 H1 TIP3 8679 34.814 67.972 12.259 1.00 0.00 WT5 H ATOM 53781 H2 TIP3 8679 35.760 67.280 11.302 1.00 0.00 WT5 H ATOM 53782 OH2 TIP3 8680 24.129 78.820 62.525 1.00 0.00 WT5 O ATOM 53783 H1 TIP3 8680 24.039 79.712 62.189 1.00 0.00 WT5 H ATOM 53784 H2 TIP3 8680 24.371 78.933 63.444 1.00 0.00 WT5 H ATOM 53785 OH2 TIP3 8683 59.483 75.092 4.616 1.00 0.00 WT5 O ATOM 53786 H1 TIP3 8683 60.135 74.396 4.701 1.00 0.00 WT5 H ATOM 53787 H2 TIP3 8683 59.080 75.150 5.483 1.00 0.00 WT5 H ATOM 53788 OH2 TIP3 8687 47.005 39.356 16.806 1.00 0.00 WT5 O ATOM 53789 H1 TIP3 8687 46.293 39.961 17.013 1.00 0.00 WT5 H ATOM 53790 H2 TIP3 8687 47.486 39.261 17.628 1.00 0.00 WT5 H ATOM 53791 OH2 TIP3 8688 68.702 6.628 6.178 1.00 0.00 WT5 O ATOM 53792 H1 TIP3 8688 69.023 7.498 5.944 1.00 0.00 WT5 H ATOM 53793 H2 TIP3 8688 67.774 6.643 5.942 1.00 0.00 WT5 H ATOM 53794 OH2 TIP3 8690 82.013 40.908 30.112 1.00 0.00 WT5 O ATOM 53795 H1 TIP3 8690 81.070 40.999 29.978 1.00 0.00 WT5 H ATOM 53796 H2 TIP3 8690 82.407 41.386 29.382 1.00 0.00 WT5 H ATOM 53797 OH2 TIP3 8691 86.985 49.345 4.206 1.00 0.00 WT5 O ATOM 53798 H1 TIP3 8691 86.519 49.977 4.753 1.00 0.00 WT5 H ATOM 53799 H2 TIP3 8691 86.385 48.602 4.135 1.00 0.00 WT5 H ATOM 53800 OH2 TIP3 8695 71.594 84.231 50.599 1.00 0.00 WT5 O ATOM 53801 H1 TIP3 8695 72.021 83.604 50.015 1.00 0.00 WT5 H ATOM 53802 H2 TIP3 8695 71.096 83.688 51.211 1.00 0.00 WT5 H ATOM 53803 OH2 TIP3 8699 49.762 82.046 41.049 1.00 0.00 WT5 O ATOM 53804 H1 TIP3 8699 49.410 81.615 40.271 1.00 0.00 WT5 H ATOM 53805 H2 TIP3 8699 50.226 81.353 41.518 1.00 0.00 WT5 H ATOM 53806 OH2 TIP3 8701 60.604 75.806 47.012 1.00 0.00 WT5 O ATOM 53807 H1 TIP3 8701 60.089 75.071 47.346 1.00 0.00 WT5 H ATOM 53808 H2 TIP3 8701 61.494 75.462 46.941 1.00 0.00 WT5 H ATOM 53809 OH2 TIP3 8711 90.359 91.754 46.932 1.00 0.00 WT5 O ATOM 53810 H1 TIP3 8711 90.563 91.098 46.265 1.00 0.00 WT5 H ATOM 53811 H2 TIP3 8711 90.890 91.501 47.687 1.00 0.00 WT5 H ATOM 53812 OH2 TIP3 8713 59.839 82.710 61.468 1.00 0.00 WT5 O ATOM 53813 H1 TIP3 8713 59.025 82.615 60.973 1.00 0.00 WT5 H ATOM 53814 H2 TIP3 8713 59.824 81.988 62.096 1.00 0.00 WT5 H ATOM 53815 OH2 TIP3 8721 30.389 62.875 -7.956 1.00 0.00 WT5 O ATOM 53816 H1 TIP3 8721 29.822 62.198 -7.585 1.00 0.00 WT5 H ATOM 53817 H2 TIP3 8721 29.937 63.697 -7.766 1.00 0.00 WT5 H ATOM 53818 OH2 TIP3 8722 33.091 86.811 12.492 1.00 0.00 WT5 O ATOM 53819 H1 TIP3 8722 33.527 87.496 13.000 1.00 0.00 WT5 H ATOM 53820 H2 TIP3 8722 33.798 86.224 12.225 1.00 0.00 WT5 H ATOM 53821 OH2 TIP3 8723 57.912 42.158 50.261 1.00 0.00 WT5 O ATOM 53822 H1 TIP3 8723 57.086 41.710 50.446 1.00 0.00 WT5 H ATOM 53823 H2 TIP3 8723 57.965 42.179 49.305 1.00 0.00 WT5 H ATOM 53824 OH2 TIP3 8732 25.248 28.946 -4.073 1.00 0.00 WT5 O ATOM 53825 H1 TIP3 8732 25.343 29.511 -3.306 1.00 0.00 WT5 H ATOM 53826 H2 TIP3 8732 25.278 29.546 -4.818 1.00 0.00 WT5 H ATOM 53827 OH2 TIP3 8748 63.867 58.495 45.396 1.00 0.00 WT5 O ATOM 53828 H1 TIP3 8748 64.380 58.026 46.054 1.00 0.00 WT5 H ATOM 53829 H2 TIP3 8748 62.956 58.314 45.628 1.00 0.00 WT5 H ATOM 53830 OH2 TIP3 8774 70.576 88.549 7.841 1.00 0.00 WT5 O ATOM 53831 H1 TIP3 8774 69.834 88.220 7.334 1.00 0.00 WT5 H ATOM 53832 H2 TIP3 8774 71.246 87.870 7.753 1.00 0.00 WT5 H ATOM 53833 OH2 TIP3 8780 63.052 40.471 55.470 1.00 0.00 WT5 O ATOM 53834 H1 TIP3 8780 63.787 41.083 55.483 1.00 0.00 WT5 H ATOM 53835 H2 TIP3 8780 62.278 41.027 55.387 1.00 0.00 WT5 H ATOM 53836 OH2 TIP3 8791 53.514 61.049 48.079 1.00 0.00 WT5 O ATOM 53837 H1 TIP3 8791 54.306 61.080 48.615 1.00 0.00 WT5 H ATOM 53838 H2 TIP3 8791 53.815 61.255 47.194 1.00 0.00 WT5 H ATOM 53839 OH2 TIP3 8800 47.699 39.563 6.726 1.00 0.00 WT5 O ATOM 53840 H1 TIP3 8800 47.572 39.686 7.666 1.00 0.00 WT5 H ATOM 53841 H2 TIP3 8800 48.138 38.716 6.651 1.00 0.00 WT5 H ATOM 53842 OH2 TIP3 8809 22.962 14.530 52.901 1.00 0.00 WT5 O ATOM 53843 H1 TIP3 8809 22.321 14.868 53.526 1.00 0.00 WT5 H ATOM 53844 H2 TIP3 8809 23.536 15.274 52.719 1.00 0.00 WT5 H ATOM 53845 OH2 TIP3 8813 31.849 82.807 12.228 1.00 0.00 WT5 O ATOM 53846 H1 TIP3 8813 31.571 83.476 11.603 1.00 0.00 WT5 H ATOM 53847 H2 TIP3 8813 32.685 82.490 11.885 1.00 0.00 WT5 H ATOM 53848 OH2 TIP3 8822 21.711 77.861 -6.240 1.00 0.00 WT5 O ATOM 53849 H1 TIP3 8822 21.983 77.781 -5.326 1.00 0.00 WT5 H ATOM 53850 H2 TIP3 8822 21.491 76.968 -6.504 1.00 0.00 WT5 H ATOM 53851 OH2 TIP3 8824 22.697 71.485 44.103 1.00 0.00 WT5 O ATOM 53852 H1 TIP3 8824 22.485 70.580 44.334 1.00 0.00 WT5 H ATOM 53853 H2 TIP3 8824 21.850 71.929 44.073 1.00 0.00 WT5 H ATOM 53854 OH2 TIP3 8829 62.262 85.905 -6.098 1.00 0.00 WT5 O ATOM 53855 H1 TIP3 8829 62.709 86.422 -5.428 1.00 0.00 WT5 H ATOM 53856 H2 TIP3 8829 61.442 85.635 -5.685 1.00 0.00 WT5 H ATOM 53857 OH2 TIP3 8833 54.561 25.902 -12.206 1.00 0.00 WT5 O ATOM 53858 H1 TIP3 8833 54.444 26.349 -13.044 1.00 0.00 WT5 H ATOM 53859 H2 TIP3 8833 55.206 26.433 -11.739 1.00 0.00 WT5 H ATOM 53860 OH2 TIP3 8841 39.205 29.392 -18.693 1.00 0.00 WT5 O ATOM 53861 H1 TIP3 8841 38.931 30.266 -18.417 1.00 0.00 WT5 H ATOM 53862 H2 TIP3 8841 39.320 28.907 -17.876 1.00 0.00 WT5 H ATOM 53863 OH2 TIP3 8845 80.134 62.899 15.112 1.00 0.00 WT5 O ATOM 53864 H1 TIP3 8845 80.978 62.784 15.548 1.00 0.00 WT5 H ATOM 53865 H2 TIP3 8845 79.672 62.074 15.260 1.00 0.00 WT5 H ATOM 53866 OH2 TIP3 8851 47.722 1.905 20.828 1.00 0.00 WT5 O ATOM 53867 H1 TIP3 8851 48.552 1.747 20.378 1.00 0.00 WT5 H ATOM 53868 H2 TIP3 8851 47.289 2.579 20.304 1.00 0.00 WT5 H ATOM 53869 OH2 TIP3 8855 73.458 47.993 -16.757 1.00 0.00 WT5 O ATOM 53870 H1 TIP3 8855 72.546 48.030 -17.043 1.00 0.00 WT5 H ATOM 53871 H2 TIP3 8855 73.446 48.349 -15.869 1.00 0.00 WT5 H ATOM 53872 OH2 TIP3 8860 43.544 85.043 49.587 1.00 0.00 WT5 O ATOM 53873 H1 TIP3 8860 43.610 84.424 50.314 1.00 0.00 WT5 H ATOM 53874 H2 TIP3 8860 43.314 84.501 48.831 1.00 0.00 WT5 H ATOM 53875 OH2 TIP3 8864 61.304 7.294 67.717 1.00 0.00 WT5 O ATOM 53876 H1 TIP3 8864 61.254 8.079 67.172 1.00 0.00 WT5 H ATOM 53877 H2 TIP3 8864 61.576 6.601 67.116 1.00 0.00 WT5 H ATOM 53878 OH2 TIP3 8870 77.278 56.384 5.838 1.00 0.00 WT5 O ATOM 53879 H1 TIP3 8870 77.826 56.675 6.567 1.00 0.00 WT5 H ATOM 53880 H2 TIP3 8870 76.427 56.789 6.001 1.00 0.00 WT5 H ATOM 53881 OH2 TIP3 8872 82.538 53.995 11.292 1.00 0.00 WT5 O ATOM 53882 H1 TIP3 8872 81.799 54.452 11.694 1.00 0.00 WT5 H ATOM 53883 H2 TIP3 8872 83.312 54.429 11.650 1.00 0.00 WT5 H ATOM 53884 OH2 TIP3 8876 31.301 65.895 -5.156 1.00 0.00 WT5 O ATOM 53885 H1 TIP3 8876 30.388 66.071 -4.928 1.00 0.00 WT5 H ATOM 53886 H2 TIP3 8876 31.770 66.687 -4.894 1.00 0.00 WT5 H ATOM 53887 OH2 TIP3 8877 74.920 43.643 54.430 1.00 0.00 WT5 O ATOM 53888 H1 TIP3 8877 75.744 43.183 54.585 1.00 0.00 WT5 H ATOM 53889 H2 TIP3 8877 75.183 44.501 54.097 1.00 0.00 WT5 H ATOM 53890 OH2 TIP3 8879 79.943 34.309 35.217 1.00 0.00 WT5 O ATOM 53891 H1 TIP3 8879 79.094 34.172 34.796 1.00 0.00 WT5 H ATOM 53892 H2 TIP3 8879 80.208 33.439 35.513 1.00 0.00 WT5 H ATOM 53893 OH2 TIP3 8890 30.057 37.620 11.446 1.00 0.00 WT5 O ATOM 53894 H1 TIP3 8890 30.822 38.181 11.568 1.00 0.00 WT5 H ATOM 53895 H2 TIP3 8890 30.373 36.737 11.638 1.00 0.00 WT5 H ATOM 53896 OH2 TIP3 8892 55.360 53.787 3.208 1.00 0.00 WT5 O ATOM 53897 H1 TIP3 8892 55.644 53.860 4.119 1.00 0.00 WT5 H ATOM 53898 H2 TIP3 8892 54.539 54.280 3.173 1.00 0.00 WT5 H ATOM 53899 OH2 TIP3 8893 44.557 16.371 -1.651 1.00 0.00 WT5 O ATOM 53900 H1 TIP3 8893 45.231 15.780 -1.315 1.00 0.00 WT5 H ATOM 53901 H2 TIP3 8893 44.310 16.907 -0.897 1.00 0.00 WT5 H ATOM 53902 OH2 TIP3 8894 88.169 59.943 -1.577 1.00 0.00 WT5 O ATOM 53903 H1 TIP3 8894 89.119 60.043 -1.512 1.00 0.00 WT5 H ATOM 53904 H2 TIP3 8894 87.960 59.236 -0.966 1.00 0.00 WT5 H ATOM 53905 OH2 TIP3 8904 24.630 12.390 30.909 1.00 0.00 WT5 O ATOM 53906 H1 TIP3 8904 25.013 11.776 31.535 1.00 0.00 WT5 H ATOM 53907 H2 TIP3 8904 24.215 11.833 30.250 1.00 0.00 WT5 H ATOM 53908 OH2 TIP3 8920 55.579 91.973 -9.569 1.00 0.00 WT5 O ATOM 53909 H1 TIP3 8920 55.858 91.382 -8.869 1.00 0.00 WT5 H ATOM 53910 H2 TIP3 8920 55.918 91.574 -10.370 1.00 0.00 WT5 H ATOM 53911 OH2 TIP3 8927 27.228 59.513 -5.457 1.00 0.00 WT5 O ATOM 53912 H1 TIP3 8927 27.869 60.017 -4.957 1.00 0.00 WT5 H ATOM 53913 H2 TIP3 8927 27.052 58.744 -4.914 1.00 0.00 WT5 H ATOM 53914 OH2 TIP3 8935 29.928 93.475 -13.910 1.00 0.00 WT5 O ATOM 53915 H1 TIP3 8935 30.823 93.812 -13.860 1.00 0.00 WT5 H ATOM 53916 H2 TIP3 8935 29.867 93.088 -14.783 1.00 0.00 WT5 H ATOM 53917 OH2 TIP3 8937 63.570 80.568 20.604 1.00 0.00 WT5 O ATOM 53918 H1 TIP3 8937 63.341 81.407 21.003 1.00 0.00 WT5 H ATOM 53919 H2 TIP3 8937 62.728 80.149 20.426 1.00 0.00 WT5 H ATOM 53920 OH2 TIP3 8938 78.401 15.421 59.773 1.00 0.00 WT5 O ATOM 53921 H1 TIP3 8938 79.295 15.584 60.074 1.00 0.00 WT5 H ATOM 53922 H2 TIP3 8938 78.508 14.999 58.920 1.00 0.00 WT5 H ATOM 53923 OH2 TIP3 8939 85.798 65.962 -7.937 1.00 0.00 WT5 O ATOM 53924 H1 TIP3 8939 84.955 66.193 -8.328 1.00 0.00 WT5 H ATOM 53925 H2 TIP3 8939 86.349 66.731 -8.082 1.00 0.00 WT5 H ATOM 53926 OH2 TIP3 8942 65.131 81.269 29.104 1.00 0.00 WT5 O ATOM 53927 H1 TIP3 8942 64.314 80.828 28.870 1.00 0.00 WT5 H ATOM 53928 H2 TIP3 8942 65.818 80.664 28.826 1.00 0.00 WT5 H ATOM 53929 OH2 TIP3 8956 39.365 91.976 42.776 1.00 0.00 WT5 O ATOM 53930 H1 TIP3 8956 40.288 91.733 42.716 1.00 0.00 WT5 H ATOM 53931 H2 TIP3 8956 39.323 92.580 43.518 1.00 0.00 WT5 H ATOM 53932 OH2 TIP3 8960 40.972 5.527 17.760 1.00 0.00 WT5 O ATOM 53933 H1 TIP3 8960 40.962 6.180 18.460 1.00 0.00 WT5 H ATOM 53934 H2 TIP3 8960 40.065 5.228 17.698 1.00 0.00 WT5 H ATOM 53935 OH2 TIP3 8964 82.336 36.098 67.089 1.00 0.00 WT5 O ATOM 53936 H1 TIP3 8964 82.364 35.918 66.149 1.00 0.00 WT5 H ATOM 53937 H2 TIP3 8964 82.883 36.875 67.200 1.00 0.00 WT5 H ATOM 53938 OH2 TIP3 8972 65.347 43.593 8.955 1.00 0.00 WT5 O ATOM 53939 H1 TIP3 8972 64.437 43.524 9.243 1.00 0.00 WT5 H ATOM 53940 H2 TIP3 8972 65.703 44.327 9.457 1.00 0.00 WT5 H ATOM 53941 OH2 TIP3 8973 26.988 26.688 -7.196 1.00 0.00 WT5 O ATOM 53942 H1 TIP3 8973 26.885 27.494 -7.702 1.00 0.00 WT5 H ATOM 53943 H2 TIP3 8973 27.882 26.729 -6.857 1.00 0.00 WT5 H ATOM 53944 OH2 TIP3 8977 59.602 14.421 40.170 1.00 0.00 WT5 O ATOM 53945 H1 TIP3 8977 60.270 14.438 39.484 1.00 0.00 WT5 H ATOM 53946 H2 TIP3 8977 59.033 15.164 39.969 1.00 0.00 WT5 H ATOM 53947 OH2 TIP3 8982 74.487 41.626 -7.864 1.00 0.00 WT5 O ATOM 53948 H1 TIP3 8982 73.916 42.348 -8.128 1.00 0.00 WT5 H ATOM 53949 H2 TIP3 8982 75.372 41.939 -8.050 1.00 0.00 WT5 H ATOM 53950 OH2 TIP3 8984 70.364 19.665 52.760 1.00 0.00 WT5 O ATOM 53951 H1 TIP3 8984 70.423 19.290 53.639 1.00 0.00 WT5 H ATOM 53952 H2 TIP3 8984 69.684 19.151 52.325 1.00 0.00 WT5 H ATOM 53953 OH2 TIP3 8988 33.504 52.995 2.491 1.00 0.00 WT5 O ATOM 53954 H1 TIP3 8988 34.163 52.324 2.672 1.00 0.00 WT5 H ATOM 53955 H2 TIP3 8988 33.999 53.724 2.119 1.00 0.00 WT5 H ATOM 53956 OH2 TIP3 9005 40.871 36.169 58.097 1.00 0.00 WT5 O ATOM 53957 H1 TIP3 9005 41.651 36.680 57.881 1.00 0.00 WT5 H ATOM 53958 H2 TIP3 9005 40.333 36.207 57.306 1.00 0.00 WT5 H ATOM 53959 OH2 TIP3 9012 22.232 34.737 -5.793 1.00 0.00 WT5 O ATOM 53960 H1 TIP3 9012 22.383 34.947 -4.871 1.00 0.00 WT5 H ATOM 53961 H2 TIP3 9012 21.374 35.114 -5.987 1.00 0.00 WT5 H ATOM 53962 OH2 TIP3 9017 38.363 41.910 -3.282 1.00 0.00 WT5 O ATOM 53963 H1 TIP3 9017 38.490 42.392 -2.465 1.00 0.00 WT5 H ATOM 53964 H2 TIP3 9017 37.420 41.752 -3.324 1.00 0.00 WT5 H ATOM 53965 OH2 TIP3 9022 51.637 16.931 35.112 1.00 0.00 WT5 O ATOM 53966 H1 TIP3 9022 50.955 16.394 35.516 1.00 0.00 WT5 H ATOM 53967 H2 TIP3 9022 52.442 16.675 35.562 1.00 0.00 WT5 H ATOM 53968 OH2 TIP3 9029 90.445 37.451 35.179 1.00 0.00 WT5 O ATOM 53969 H1 TIP3 9029 90.019 37.318 34.332 1.00 0.00 WT5 H ATOM 53970 H2 TIP3 9029 89.768 37.245 35.823 1.00 0.00 WT5 H ATOM 53971 OH2 TIP3 9035 59.208 61.160 38.311 1.00 0.00 WT5 O ATOM 53972 H1 TIP3 9035 59.664 60.351 38.544 1.00 0.00 WT5 H ATOM 53973 H2 TIP3 9035 58.620 60.907 37.599 1.00 0.00 WT5 H ATOM 53974 OH2 TIP3 9047 75.809 35.489 40.544 1.00 0.00 WT5 O ATOM 53975 H1 TIP3 9047 75.012 35.236 40.079 1.00 0.00 WT5 H ATOM 53976 H2 TIP3 9047 75.927 34.809 41.207 1.00 0.00 WT5 H ATOM 53977 OH2 TIP3 9049 90.980 64.501 61.970 1.00 0.00 WT5 O ATOM 53978 H1 TIP3 9049 90.044 64.362 61.826 1.00 0.00 WT5 H ATOM 53979 H2 TIP3 9049 91.241 65.111 61.279 1.00 0.00 WT5 H ATOM 53980 OH2 TIP3 9055 39.627 8.514 41.050 1.00 0.00 WT5 O ATOM 53981 H1 TIP3 9055 39.478 8.821 40.156 1.00 0.00 WT5 H ATOM 53982 H2 TIP3 9055 39.034 9.039 41.586 1.00 0.00 WT5 H ATOM 53983 OH2 TIP3 9063 52.444 13.267 -8.934 1.00 0.00 WT5 O ATOM 53984 H1 TIP3 9063 51.588 13.492 -9.299 1.00 0.00 WT5 H ATOM 53985 H2 TIP3 9063 52.476 13.727 -8.095 1.00 0.00 WT5 H ATOM 53986 OH2 TIP3 9064 77.327 84.016 17.857 1.00 0.00 WT5 O ATOM 53987 H1 TIP3 9064 77.430 83.714 16.954 1.00 0.00 WT5 H ATOM 53988 H2 TIP3 9064 76.631 83.466 18.216 1.00 0.00 WT5 H ATOM 53989 OH2 TIP3 9065 34.318 64.375 30.055 1.00 0.00 WT5 O ATOM 53990 H1 TIP3 9065 34.655 64.780 30.854 1.00 0.00 WT5 H ATOM 53991 H2 TIP3 9065 35.086 63.978 29.645 1.00 0.00 WT5 H ATOM 53992 OH2 TIP3 9068 48.032 30.646 -16.675 1.00 0.00 WT5 O ATOM 53993 H1 TIP3 9068 48.719 30.628 -16.008 1.00 0.00 WT5 H ATOM 53994 H2 TIP3 9068 47.414 29.968 -16.400 1.00 0.00 WT5 H ATOM 53995 OH2 TIP3 9073 74.258 54.993 40.620 1.00 0.00 WT5 O ATOM 53996 H1 TIP3 9073 73.915 55.814 40.973 1.00 0.00 WT5 H ATOM 53997 H2 TIP3 9073 75.174 55.183 40.416 1.00 0.00 WT5 H ATOM 53998 OH2 TIP3 9077 35.105 73.387 58.834 1.00 0.00 WT5 O ATOM 53999 H1 TIP3 9077 34.277 72.908 58.813 1.00 0.00 WT5 H ATOM 54000 H2 TIP3 9077 35.346 73.491 57.914 1.00 0.00 WT5 H ATOM 54001 OH2 TIP3 9085 34.628 72.087 45.289 1.00 0.00 WT5 O ATOM 54002 H1 TIP3 9085 35.226 71.959 46.025 1.00 0.00 WT5 H ATOM 54003 H2 TIP3 9085 34.249 72.954 45.435 1.00 0.00 WT5 H ATOM 54004 OH2 TIP3 9091 33.869 22.256 13.353 1.00 0.00 WT5 O ATOM 54005 H1 TIP3 9091 33.504 21.935 12.528 1.00 0.00 WT5 H ATOM 54006 H2 TIP3 9091 34.666 22.720 13.099 1.00 0.00 WT5 H ATOM 54007 OH2 TIP3 9096 31.479 63.818 -18.016 1.00 0.00 WT5 O ATOM 54008 H1 TIP3 9096 31.047 64.510 -18.516 1.00 0.00 WT5 H ATOM 54009 H2 TIP3 9096 31.191 63.957 -17.114 1.00 0.00 WT5 H ATOM 54010 OH2 TIP3 9097 38.364 19.024 7.034 1.00 0.00 WT5 O ATOM 54011 H1 TIP3 9097 38.523 19.392 7.903 1.00 0.00 WT5 H ATOM 54012 H2 TIP3 9097 38.425 18.077 7.160 1.00 0.00 WT5 H ATOM 54013 OH2 TIP3 9102 71.552 51.115 6.247 1.00 0.00 WT5 O ATOM 54014 H1 TIP3 9102 71.893 51.940 5.901 1.00 0.00 WT5 H ATOM 54015 H2 TIP3 9102 70.695 51.341 6.608 1.00 0.00 WT5 H ATOM 54016 OH2 TIP3 9116 31.480 36.761 35.273 1.00 0.00 WT5 O ATOM 54017 H1 TIP3 9116 31.634 36.124 34.576 1.00 0.00 WT5 H ATOM 54018 H2 TIP3 9116 31.446 37.605 34.824 1.00 0.00 WT5 H ATOM 54019 OH2 TIP3 9118 72.854 8.389 62.851 1.00 0.00 WT5 O ATOM 54020 H1 TIP3 9118 71.950 8.298 63.151 1.00 0.00 WT5 H ATOM 54021 H2 TIP3 9118 73.147 9.222 63.221 1.00 0.00 WT5 H ATOM 54022 OH2 TIP3 9124 45.550 34.200 0.461 1.00 0.00 WT5 O ATOM 54023 H1 TIP3 9124 45.265 34.600 1.282 1.00 0.00 WT5 H ATOM 54024 H2 TIP3 9124 44.837 33.606 0.223 1.00 0.00 WT5 H ATOM 54025 OH2 TIP3 9125 51.335 60.131 -16.827 1.00 0.00 WT5 O ATOM 54026 H1 TIP3 9125 51.724 61.005 -16.843 1.00 0.00 WT5 H ATOM 54027 H2 TIP3 9125 50.825 60.080 -17.636 1.00 0.00 WT5 H ATOM 54028 OH2 TIP3 9133 67.398 45.569 33.740 1.00 0.00 WT5 O ATOM 54029 H1 TIP3 9133 66.861 45.042 33.149 1.00 0.00 WT5 H ATOM 54030 H2 TIP3 9133 67.405 46.441 33.346 1.00 0.00 WT5 H ATOM 54031 OH2 TIP3 9143 43.082 63.065 37.929 1.00 0.00 WT5 O ATOM 54032 H1 TIP3 9143 42.560 63.078 38.731 1.00 0.00 WT5 H ATOM 54033 H2 TIP3 9143 43.045 62.155 37.634 1.00 0.00 WT5 H ATOM 54034 OH2 TIP3 9144 78.179 86.587 7.961 1.00 0.00 WT5 O ATOM 54035 H1 TIP3 9144 77.908 85.672 8.029 1.00 0.00 WT5 H ATOM 54036 H2 TIP3 9144 79.012 86.557 7.491 1.00 0.00 WT5 H ATOM 54037 OH2 TIP3 9157 85.438 21.166 -14.555 1.00 0.00 WT5 O ATOM 54038 H1 TIP3 9157 84.572 21.283 -14.946 1.00 0.00 WT5 H ATOM 54039 H2 TIP3 9157 85.315 21.383 -13.631 1.00 0.00 WT5 H ATOM 54040 OH2 TIP3 9158 40.260 10.958 17.031 1.00 0.00 WT5 O ATOM 54041 H1 TIP3 9158 39.774 11.740 16.769 1.00 0.00 WT5 H ATOM 54042 H2 TIP3 9158 41.110 11.290 17.321 1.00 0.00 WT5 H ATOM 54043 OH2 TIP3 9162 79.589 35.583 57.111 1.00 0.00 WT5 O ATOM 54044 H1 TIP3 9162 79.295 34.689 56.936 1.00 0.00 WT5 H ATOM 54045 H2 TIP3 9162 80.515 35.583 56.866 1.00 0.00 WT5 H ATOM 54046 OH2 TIP3 9171 82.423 62.844 3.245 1.00 0.00 WT5 O ATOM 54047 H1 TIP3 9171 82.570 63.517 2.581 1.00 0.00 WT5 H ATOM 54048 H2 TIP3 9171 82.448 62.019 2.761 1.00 0.00 WT5 H ATOM 54049 OH2 TIP3 9178 85.737 36.796 -10.468 1.00 0.00 WT5 O ATOM 54050 H1 TIP3 9178 85.151 36.468 -9.786 1.00 0.00 WT5 H ATOM 54051 H2 TIP3 9178 85.160 37.247 -11.084 1.00 0.00 WT5 H ATOM 54052 OH2 TIP3 9179 87.786 36.046 5.069 1.00 0.00 WT5 O ATOM 54053 H1 TIP3 9179 88.344 35.688 5.759 1.00 0.00 WT5 H ATOM 54054 H2 TIP3 9179 87.768 36.988 5.240 1.00 0.00 WT5 H ATOM 54055 OH2 TIP3 9182 35.405 61.500 31.430 1.00 0.00 WT5 O ATOM 54056 H1 TIP3 9182 35.088 60.710 31.868 1.00 0.00 WT5 H ATOM 54057 H2 TIP3 9182 36.339 61.341 31.295 1.00 0.00 WT5 H ATOM 54058 OH2 TIP3 9183 63.196 72.599 -2.676 1.00 0.00 WT5 O ATOM 54059 H1 TIP3 9183 62.515 72.208 -2.128 1.00 0.00 WT5 H ATOM 54060 H2 TIP3 9183 63.886 72.848 -2.061 1.00 0.00 WT5 H ATOM 54061 OH2 TIP3 9184 67.975 51.629 13.930 1.00 0.00 WT5 O ATOM 54062 H1 TIP3 9184 67.294 50.974 14.083 1.00 0.00 WT5 H ATOM 54063 H2 TIP3 9184 67.556 52.464 14.136 1.00 0.00 WT5 H ATOM 54064 OH2 TIP3 9188 23.854 7.272 34.170 1.00 0.00 WT5 O ATOM 54065 H1 TIP3 9188 24.497 7.160 33.469 1.00 0.00 WT5 H ATOM 54066 H2 TIP3 9188 23.828 8.217 34.322 1.00 0.00 WT5 H ATOM 54067 OH2 TIP3 9198 75.815 23.757 59.595 1.00 0.00 WT5 O ATOM 54068 H1 TIP3 9198 75.170 23.537 60.267 1.00 0.00 WT5 H ATOM 54069 H2 TIP3 9198 76.057 22.915 59.210 1.00 0.00 WT5 H ATOM 54070 OH2 TIP3 9211 30.211 3.714 20.054 1.00 0.00 WT5 O ATOM 54071 H1 TIP3 9211 30.086 3.302 19.199 1.00 0.00 WT5 H ATOM 54072 H2 TIP3 9211 29.428 3.476 20.551 1.00 0.00 WT5 H ATOM 54073 OH2 TIP3 9218 37.714 23.683 -14.618 1.00 0.00 WT5 O ATOM 54074 H1 TIP3 9218 36.817 23.885 -14.884 1.00 0.00 WT5 H ATOM 54075 H2 TIP3 9218 37.758 23.949 -13.700 1.00 0.00 WT5 H ATOM 54076 OH2 TIP3 9223 37.607 81.260 -1.603 1.00 0.00 WT5 O ATOM 54077 H1 TIP3 9223 37.785 82.199 -1.666 1.00 0.00 WT5 H ATOM 54078 H2 TIP3 9223 37.515 81.096 -0.665 1.00 0.00 WT5 H ATOM 54079 OH2 TIP3 9227 34.135 8.578 -0.103 1.00 0.00 WT5 O ATOM 54080 H1 TIP3 9227 34.659 9.359 -0.278 1.00 0.00 WT5 H ATOM 54081 H2 TIP3 9227 34.749 7.960 0.293 1.00 0.00 WT5 H ATOM 54082 OH2 TIP3 9250 48.019 83.421 12.834 1.00 0.00 WT5 O ATOM 54083 H1 TIP3 9250 48.519 83.538 13.642 1.00 0.00 WT5 H ATOM 54084 H2 TIP3 9250 48.388 82.634 12.434 1.00 0.00 WT5 H ATOM 54085 OH2 TIP3 9254 83.217 43.842 6.308 1.00 0.00 WT5 O ATOM 54086 H1 TIP3 9254 82.987 44.400 7.051 1.00 0.00 WT5 H ATOM 54087 H2 TIP3 9254 83.209 42.954 6.664 1.00 0.00 WT5 H ATOM 54088 OH2 TIP3 2 22.176 51.852 31.883 1.00 0.00 WT6 O ATOM 54089 H1 TIP3 2 21.370 52.215 32.251 1.00 0.00 WT6 H ATOM 54090 H2 TIP3 2 21.989 51.752 30.949 1.00 0.00 WT6 H ATOM 54091 OH2 TIP3 5 69.232 7.293 52.365 1.00 0.00 WT6 O ATOM 54092 H1 TIP3 5 68.774 6.943 51.601 1.00 0.00 WT6 H ATOM 54093 H2 TIP3 5 69.453 8.192 52.122 1.00 0.00 WT6 H ATOM 54094 OH2 TIP3 40 56.624 86.243 62.007 1.00 0.00 WT6 O ATOM 54095 H1 TIP3 40 57.511 85.885 61.975 1.00 0.00 WT6 H ATOM 54096 H2 TIP3 40 56.063 85.481 62.157 1.00 0.00 WT6 H ATOM 54097 OH2 TIP3 44 70.475 91.008 21.972 1.00 0.00 WT6 O ATOM 54098 H1 TIP3 44 70.597 90.138 22.351 1.00 0.00 WT6 H ATOM 54099 H2 TIP3 44 71.342 91.252 21.647 1.00 0.00 WT6 H ATOM 54100 OH2 TIP3 48 30.425 47.399 -1.499 1.00 0.00 WT6 O ATOM 54101 H1 TIP3 48 30.564 46.494 -1.222 1.00 0.00 WT6 H ATOM 54102 H2 TIP3 48 29.648 47.362 -2.058 1.00 0.00 WT6 H ATOM 54103 OH2 TIP3 65 34.854 17.766 48.000 1.00 0.00 WT6 O ATOM 54104 H1 TIP3 65 35.445 17.170 47.540 1.00 0.00 WT6 H ATOM 54105 H2 TIP3 65 35.070 18.632 47.655 1.00 0.00 WT6 H ATOM 54106 OH2 TIP3 67 49.220 65.614 14.153 1.00 0.00 WT6 O ATOM 54107 H1 TIP3 67 50.092 65.256 14.321 1.00 0.00 WT6 H ATOM 54108 H2 TIP3 67 48.967 66.026 14.979 1.00 0.00 WT6 H ATOM 54109 OH2 TIP3 87 70.150 41.191 36.576 1.00 0.00 WT6 O ATOM 54110 H1 TIP3 87 70.559 41.161 35.711 1.00 0.00 WT6 H ATOM 54111 H2 TIP3 87 69.426 41.810 36.478 1.00 0.00 WT6 H ATOM 54112 OH2 TIP3 113 54.981 48.818 64.947 1.00 0.00 WT6 O ATOM 54113 H1 TIP3 113 55.293 49.708 64.784 1.00 0.00 WT6 H ATOM 54114 H2 TIP3 113 54.202 48.932 65.491 1.00 0.00 WT6 H ATOM 54115 OH2 TIP3 149 64.697 16.563 -13.399 1.00 0.00 WT6 O ATOM 54116 H1 TIP3 149 64.125 17.001 -12.769 1.00 0.00 WT6 H ATOM 54117 H2 TIP3 149 65.462 16.302 -12.888 1.00 0.00 WT6 H ATOM 54118 OH2 TIP3 150 48.991 33.951 -6.674 1.00 0.00 WT6 O ATOM 54119 H1 TIP3 150 49.555 34.587 -6.234 1.00 0.00 WT6 H ATOM 54120 H2 TIP3 150 49.326 33.099 -6.393 1.00 0.00 WT6 H ATOM 54121 OH2 TIP3 167 87.242 89.708 -7.617 1.00 0.00 WT6 O ATOM 54122 H1 TIP3 167 87.005 89.784 -6.693 1.00 0.00 WT6 H ATOM 54123 H2 TIP3 167 87.270 88.765 -7.781 1.00 0.00 WT6 H ATOM 54124 OH2 TIP3 174 69.132 48.794 51.911 1.00 0.00 WT6 O ATOM 54125 H1 TIP3 174 69.536 49.555 51.495 1.00 0.00 WT6 H ATOM 54126 H2 TIP3 174 68.421 48.546 51.320 1.00 0.00 WT6 H ATOM 54127 OH2 TIP3 175 41.742 32.044 -16.534 1.00 0.00 WT6 O ATOM 54128 H1 TIP3 175 42.058 32.345 -15.682 1.00 0.00 WT6 H ATOM 54129 H2 TIP3 175 41.097 31.368 -16.326 1.00 0.00 WT6 H ATOM 54130 OH2 TIP3 178 23.231 94.431 -13.845 1.00 0.00 WT6 O ATOM 54131 H1 TIP3 178 22.477 95.007 -13.969 1.00 0.00 WT6 H ATOM 54132 H2 TIP3 178 23.588 94.311 -14.725 1.00 0.00 WT6 H ATOM 54133 OH2 TIP3 189 51.645 8.594 32.177 1.00 0.00 WT6 O ATOM 54134 H1 TIP3 189 52.421 9.094 31.925 1.00 0.00 WT6 H ATOM 54135 H2 TIP3 189 51.835 7.699 31.894 1.00 0.00 WT6 H ATOM 54136 OH2 TIP3 191 21.614 44.664 -1.632 1.00 0.00 WT6 O ATOM 54137 H1 TIP3 191 20.666 44.784 -1.693 1.00 0.00 WT6 H ATOM 54138 H2 TIP3 191 21.932 45.473 -1.231 1.00 0.00 WT6 H ATOM 54139 OH2 TIP3 194 23.470 39.910 -17.035 1.00 0.00 WT6 O ATOM 54140 H1 TIP3 194 23.493 39.359 -16.253 1.00 0.00 WT6 H ATOM 54141 H2 TIP3 194 24.279 39.700 -17.501 1.00 0.00 WT6 H ATOM 54142 OH2 TIP3 195 25.035 33.298 -8.823 1.00 0.00 WT6 O ATOM 54143 H1 TIP3 195 24.755 32.433 -9.123 1.00 0.00 WT6 H ATOM 54144 H2 TIP3 195 25.218 33.783 -9.628 1.00 0.00 WT6 H ATOM 54145 OH2 TIP3 196 38.398 5.008 39.156 1.00 0.00 WT6 O ATOM 54146 H1 TIP3 196 38.225 4.849 38.228 1.00 0.00 WT6 H ATOM 54147 H2 TIP3 196 39.310 5.295 39.185 1.00 0.00 WT6 H ATOM 54148 OH2 TIP3 237 74.021 0.393 -5.698 1.00 0.00 WT6 O ATOM 54149 H1 TIP3 237 74.159 0.187 -6.622 1.00 0.00 WT6 H ATOM 54150 H2 TIP3 237 74.902 0.438 -5.328 1.00 0.00 WT6 H ATOM 54151 OH2 TIP3 303 83.700 34.856 -17.956 1.00 0.00 WT6 O ATOM 54152 H1 TIP3 303 83.681 34.171 -18.625 1.00 0.00 WT6 H ATOM 54153 H2 TIP3 303 83.825 35.668 -18.448 1.00 0.00 WT6 H ATOM 54154 OH2 TIP3 338 73.977 9.290 37.299 1.00 0.00 WT6 O ATOM 54155 H1 TIP3 338 73.066 9.085 37.509 1.00 0.00 WT6 H ATOM 54156 H2 TIP3 338 74.315 8.493 36.890 1.00 0.00 WT6 H ATOM 54157 OH2 TIP3 344 85.599 74.001 13.618 1.00 0.00 WT6 O ATOM 54158 H1 TIP3 344 85.743 73.537 12.793 1.00 0.00 WT6 H ATOM 54159 H2 TIP3 344 86.276 73.663 14.205 1.00 0.00 WT6 H ATOM 54160 OH2 TIP3 384 20.433 46.911 27.112 1.00 0.00 WT6 O ATOM 54161 H1 TIP3 384 19.578 46.623 26.793 1.00 0.00 WT6 H ATOM 54162 H2 TIP3 384 20.895 47.205 26.327 1.00 0.00 WT6 H ATOM 54163 OH2 TIP3 401 57.728 15.447 59.456 1.00 0.00 WT6 O ATOM 54164 H1 TIP3 401 58.062 14.836 60.112 1.00 0.00 WT6 H ATOM 54165 H2 TIP3 401 57.141 14.920 58.913 1.00 0.00 WT6 H ATOM 54166 OH2 TIP3 416 25.541 58.664 66.948 1.00 0.00 WT6 O ATOM 54167 H1 TIP3 416 25.329 57.831 67.369 1.00 0.00 WT6 H ATOM 54168 H2 TIP3 416 25.131 58.607 66.085 1.00 0.00 WT6 H ATOM 54169 OH2 TIP3 425 20.570 73.271 44.572 1.00 0.00 WT6 O ATOM 54170 H1 TIP3 425 20.233 73.612 43.743 1.00 0.00 WT6 H ATOM 54171 H2 TIP3 425 20.158 73.816 45.242 1.00 0.00 WT6 H ATOM 54172 OH2 TIP3 460 24.859 35.427 45.845 1.00 0.00 WT6 O ATOM 54173 H1 TIP3 460 25.187 34.530 45.900 1.00 0.00 WT6 H ATOM 54174 H2 TIP3 460 25.639 35.974 45.940 1.00 0.00 WT6 H ATOM 54175 OH2 TIP3 470 75.519 5.609 8.453 1.00 0.00 WT6 O ATOM 54176 H1 TIP3 470 75.095 5.896 7.644 1.00 0.00 WT6 H ATOM 54177 H2 TIP3 470 75.779 4.705 8.280 1.00 0.00 WT6 H ATOM 54178 OH2 TIP3 472 65.029 66.039 -0.691 1.00 0.00 WT6 O ATOM 54179 H1 TIP3 472 64.270 65.830 -0.147 1.00 0.00 WT6 H ATOM 54180 H2 TIP3 472 65.468 66.752 -0.228 1.00 0.00 WT6 H ATOM 54181 OH2 TIP3 485 89.667 96.253 46.208 1.00 0.00 WT6 O ATOM 54182 H1 TIP3 485 88.750 96.492 46.075 1.00 0.00 WT6 H ATOM 54183 H2 TIP3 485 90.145 97.078 46.121 1.00 0.00 WT6 H ATOM 54184 OH2 TIP3 486 43.010 91.283 62.626 1.00 0.00 WT6 O ATOM 54185 H1 TIP3 486 42.249 91.864 62.593 1.00 0.00 WT6 H ATOM 54186 H2 TIP3 486 43.293 91.207 61.715 1.00 0.00 WT6 H ATOM 54187 OH2 TIP3 489 50.469 12.397 25.655 1.00 0.00 WT6 O ATOM 54188 H1 TIP3 489 50.807 13.282 25.519 1.00 0.00 WT6 H ATOM 54189 H2 TIP3 489 49.525 12.478 25.518 1.00 0.00 WT6 H ATOM 54190 OH2 TIP3 503 34.918 71.480 -16.798 1.00 0.00 WT6 O ATOM 54191 H1 TIP3 503 34.459 70.703 -17.118 1.00 0.00 WT6 H ATOM 54192 H2 TIP3 503 34.502 72.210 -17.256 1.00 0.00 WT6 H ATOM 54193 OH2 TIP3 506 30.854 4.269 0.431 1.00 0.00 WT6 O ATOM 54194 H1 TIP3 506 30.581 3.786 -0.349 1.00 0.00 WT6 H ATOM 54195 H2 TIP3 506 31.684 4.675 0.183 1.00 0.00 WT6 H ATOM 54196 OH2 TIP3 509 52.673 59.479 -9.588 1.00 0.00 WT6 O ATOM 54197 H1 TIP3 509 52.344 59.902 -8.795 1.00 0.00 WT6 H ATOM 54198 H2 TIP3 509 53.455 59.980 -9.821 1.00 0.00 WT6 H ATOM 54199 OH2 TIP3 511 79.312 61.312 41.639 1.00 0.00 WT6 O ATOM 54200 H1 TIP3 511 78.682 61.476 42.341 1.00 0.00 WT6 H ATOM 54201 H2 TIP3 511 79.535 62.182 41.308 1.00 0.00 WT6 H ATOM 54202 OH2 TIP3 548 29.203 81.003 52.434 1.00 0.00 WT6 O ATOM 54203 H1 TIP3 548 28.704 81.526 51.807 1.00 0.00 WT6 H ATOM 54204 H2 TIP3 548 29.985 80.732 51.953 1.00 0.00 WT6 H ATOM 54205 OH2 TIP3 550 80.317 89.749 57.083 1.00 0.00 WT6 O ATOM 54206 H1 TIP3 550 81.078 89.952 57.627 1.00 0.00 WT6 H ATOM 54207 H2 TIP3 550 80.687 89.511 56.232 1.00 0.00 WT6 H ATOM 54208 OH2 TIP3 551 55.457 37.986 63.441 1.00 0.00 WT6 O ATOM 54209 H1 TIP3 551 55.919 38.749 63.092 1.00 0.00 WT6 H ATOM 54210 H2 TIP3 551 54.659 37.928 62.915 1.00 0.00 WT6 H ATOM 54211 OH2 TIP3 562 71.506 41.127 47.500 1.00 0.00 WT6 O ATOM 54212 H1 TIP3 562 72.308 41.622 47.332 1.00 0.00 WT6 H ATOM 54213 H2 TIP3 562 71.473 41.041 48.453 1.00 0.00 WT6 H ATOM 54214 OH2 TIP3 570 37.134 19.044 55.456 1.00 0.00 WT6 O ATOM 54215 H1 TIP3 570 37.983 18.668 55.223 1.00 0.00 WT6 H ATOM 54216 H2 TIP3 570 36.962 19.690 54.771 1.00 0.00 WT6 H ATOM 54217 OH2 TIP3 573 77.933 52.926 65.678 1.00 0.00 WT6 O ATOM 54218 H1 TIP3 573 78.092 53.335 66.529 1.00 0.00 WT6 H ATOM 54219 H2 TIP3 573 77.504 53.607 65.160 1.00 0.00 WT6 H ATOM 54220 OH2 TIP3 575 30.202 88.862 43.825 1.00 0.00 WT6 O ATOM 54221 H1 TIP3 575 30.283 88.529 42.931 1.00 0.00 WT6 H ATOM 54222 H2 TIP3 575 30.955 88.495 44.287 1.00 0.00 WT6 H ATOM 54223 OH2 TIP3 584 61.000 87.905 50.161 1.00 0.00 WT6 O ATOM 54224 H1 TIP3 584 60.356 87.278 50.491 1.00 0.00 WT6 H ATOM 54225 H2 TIP3 584 61.269 87.550 49.314 1.00 0.00 WT6 H ATOM 54226 OH2 TIP3 591 71.899 26.484 26.210 1.00 0.00 WT6 O ATOM 54227 H1 TIP3 591 72.309 26.342 27.063 1.00 0.00 WT6 H ATOM 54228 H2 TIP3 591 72.633 26.583 25.604 1.00 0.00 WT6 H ATOM 54229 OH2 TIP3 593 45.017 23.896 37.020 1.00 0.00 WT6 O ATOM 54230 H1 TIP3 593 45.647 23.929 36.300 1.00 0.00 WT6 H ATOM 54231 H2 TIP3 593 45.481 24.283 37.763 1.00 0.00 WT6 H ATOM 54232 OH2 TIP3 594 36.495 14.195 54.799 1.00 0.00 WT6 O ATOM 54233 H1 TIP3 594 36.265 13.856 55.664 1.00 0.00 WT6 H ATOM 54234 H2 TIP3 594 37.192 14.828 54.968 1.00 0.00 WT6 H ATOM 54235 OH2 TIP3 616 68.834 15.342 45.822 1.00 0.00 WT6 O ATOM 54236 H1 TIP3 616 67.986 15.241 45.391 1.00 0.00 WT6 H ATOM 54237 H2 TIP3 616 69.037 16.274 45.737 1.00 0.00 WT6 H ATOM 54238 OH2 TIP3 638 59.008 56.372 63.027 1.00 0.00 WT6 O ATOM 54239 H1 TIP3 638 58.143 55.976 62.922 1.00 0.00 WT6 H ATOM 54240 H2 TIP3 638 58.919 57.245 62.646 1.00 0.00 WT6 H ATOM 54241 OH2 TIP3 677 21.074 64.070 2.464 1.00 0.00 WT6 O ATOM 54242 H1 TIP3 677 21.650 63.343 2.228 1.00 0.00 WT6 H ATOM 54243 H2 TIP3 677 21.649 64.699 2.902 1.00 0.00 WT6 H ATOM 54244 OH2 TIP3 715 63.966 92.132 52.077 1.00 0.00 WT6 O ATOM 54245 H1 TIP3 715 64.172 92.399 52.973 1.00 0.00 WT6 H ATOM 54246 H2 TIP3 715 64.247 91.219 52.028 1.00 0.00 WT6 H ATOM 54247 OH2 TIP3 717 34.984 2.888 32.779 1.00 0.00 WT6 O ATOM 54248 H1 TIP3 717 35.792 3.352 32.997 1.00 0.00 WT6 H ATOM 54249 H2 TIP3 717 34.961 2.148 33.385 1.00 0.00 WT6 H ATOM 54250 OH2 TIP3 721 64.898 40.679 48.845 1.00 0.00 WT6 O ATOM 54251 H1 TIP3 721 64.832 41.540 49.259 1.00 0.00 WT6 H ATOM 54252 H2 TIP3 721 65.114 40.084 49.563 1.00 0.00 WT6 H ATOM 54253 OH2 TIP3 738 63.128 37.556 0.171 1.00 0.00 WT6 O ATOM 54254 H1 TIP3 738 62.268 37.961 0.281 1.00 0.00 WT6 H ATOM 54255 H2 TIP3 738 63.524 37.593 1.042 1.00 0.00 WT6 H ATOM 54256 OH2 TIP3 746 88.621 47.818 -13.114 1.00 0.00 WT6 O ATOM 54257 H1 TIP3 746 89.121 48.207 -12.397 1.00 0.00 WT6 H ATOM 54258 H2 TIP3 746 88.207 47.046 -12.728 1.00 0.00 WT6 H ATOM 54259 OH2 TIP3 766 36.562 32.454 -1.685 1.00 0.00 WT6 O ATOM 54260 H1 TIP3 766 36.789 33.330 -1.998 1.00 0.00 WT6 H ATOM 54261 H2 TIP3 766 35.631 32.509 -1.472 1.00 0.00 WT6 H ATOM 54262 OH2 TIP3 778 21.815 15.755 -19.906 1.00 0.00 WT6 O ATOM 54263 H1 TIP3 778 21.260 15.384 -19.221 1.00 0.00 WT6 H ATOM 54264 H2 TIP3 778 21.578 16.682 -19.931 1.00 0.00 WT6 H ATOM 54265 OH2 TIP3 779 44.734 96.663 -8.284 1.00 0.00 WT6 O ATOM 54266 H1 TIP3 779 45.455 96.676 -8.912 1.00 0.00 WT6 H ATOM 54267 H2 TIP3 779 45.019 96.054 -7.603 1.00 0.00 WT6 H ATOM 54268 OH2 TIP3 807 80.089 50.436 52.813 1.00 0.00 WT6 O ATOM 54269 H1 TIP3 807 79.776 51.028 52.129 1.00 0.00 WT6 H ATOM 54270 H2 TIP3 807 79.487 49.693 52.781 1.00 0.00 WT6 H ATOM 54271 OH2 TIP3 822 53.427 79.418 -17.189 1.00 0.00 WT6 O ATOM 54272 H1 TIP3 822 53.098 79.406 -18.087 1.00 0.00 WT6 H ATOM 54273 H2 TIP3 822 52.966 78.700 -16.755 1.00 0.00 WT6 H ATOM 54274 OH2 TIP3 824 52.112 40.083 62.130 1.00 0.00 WT6 O ATOM 54275 H1 TIP3 824 52.107 40.666 61.371 1.00 0.00 WT6 H ATOM 54276 H2 TIP3 824 52.822 40.413 62.681 1.00 0.00 WT6 H ATOM 54277 OH2 TIP3 843 85.671 74.452 58.999 1.00 0.00 WT6 O ATOM 54278 H1 TIP3 843 85.419 75.181 58.432 1.00 0.00 WT6 H ATOM 54279 H2 TIP3 843 86.605 74.586 59.162 1.00 0.00 WT6 H ATOM 54280 OH2 TIP3 846 85.868 93.115 -2.259 1.00 0.00 WT6 O ATOM 54281 H1 TIP3 846 85.841 93.578 -3.096 1.00 0.00 WT6 H ATOM 54282 H2 TIP3 846 86.799 93.054 -2.047 1.00 0.00 WT6 H ATOM 54283 OH2 TIP3 892 34.320 16.656 -17.962 1.00 0.00 WT6 O ATOM 54284 H1 TIP3 892 34.356 16.449 -17.028 1.00 0.00 WT6 H ATOM 54285 H2 TIP3 892 33.388 16.624 -18.178 1.00 0.00 WT6 H ATOM 54286 OH2 TIP3 908 88.248 8.017 49.495 1.00 0.00 WT6 O ATOM 54287 H1 TIP3 908 87.393 8.415 49.663 1.00 0.00 WT6 H ATOM 54288 H2 TIP3 908 88.072 7.337 48.845 1.00 0.00 WT6 H ATOM 54289 OH2 TIP3 928 75.686 30.905 47.595 1.00 0.00 WT6 O ATOM 54290 H1 TIP3 928 75.064 31.469 47.136 1.00 0.00 WT6 H ATOM 54291 H2 TIP3 928 76.032 30.326 46.916 1.00 0.00 WT6 H ATOM 54292 OH2 TIP3 930 72.229 81.936 -2.168 1.00 0.00 WT6 O ATOM 54293 H1 TIP3 930 72.805 81.335 -1.695 1.00 0.00 WT6 H ATOM 54294 H2 TIP3 930 71.486 81.395 -2.436 1.00 0.00 WT6 H ATOM 54295 OH2 TIP3 969 62.018 26.187 -10.079 1.00 0.00 WT6 O ATOM 54296 H1 TIP3 969 62.861 26.579 -10.305 1.00 0.00 WT6 H ATOM 54297 H2 TIP3 969 61.522 26.900 -9.676 1.00 0.00 WT6 H ATOM 54298 OH2 TIP3 987 57.068 10.552 -11.012 1.00 0.00 WT6 O ATOM 54299 H1 TIP3 987 57.489 10.854 -11.817 1.00 0.00 WT6 H ATOM 54300 H2 TIP3 987 56.365 9.974 -11.311 1.00 0.00 WT6 H ATOM 54301 OH2 TIP3 1013 26.978 3.289 54.388 1.00 0.00 WT6 O ATOM 54302 H1 TIP3 1013 27.751 3.252 54.950 1.00 0.00 WT6 H ATOM 54303 H2 TIP3 1013 27.239 3.849 53.657 1.00 0.00 WT6 H ATOM 54304 OH2 TIP3 1018 75.513 9.494 10.213 1.00 0.00 WT6 O ATOM 54305 H1 TIP3 1018 76.342 9.969 10.147 1.00 0.00 WT6 H ATOM 54306 H2 TIP3 1018 74.842 10.175 10.166 1.00 0.00 WT6 H ATOM 54307 OH2 TIP3 1076 70.710 38.171 14.767 1.00 0.00 WT6 O ATOM 54308 H1 TIP3 1076 70.853 38.935 14.208 1.00 0.00 WT6 H ATOM 54309 H2 TIP3 1076 70.942 37.424 14.216 1.00 0.00 WT6 H ATOM 54310 OH2 TIP3 1077 72.750 49.553 56.300 1.00 0.00 WT6 O ATOM 54311 H1 TIP3 1077 71.891 49.889 56.044 1.00 0.00 WT6 H ATOM 54312 H2 TIP3 1077 73.084 50.198 56.923 1.00 0.00 WT6 H ATOM 54313 OH2 TIP3 1098 33.978 9.607 -12.067 1.00 0.00 WT6 O ATOM 54314 H1 TIP3 1098 34.555 10.135 -12.618 1.00 0.00 WT6 H ATOM 54315 H2 TIP3 1098 33.295 9.297 -12.663 1.00 0.00 WT6 H ATOM 54316 OH2 TIP3 1122 43.081 15.437 60.168 1.00 0.00 WT6 O ATOM 54317 H1 TIP3 1122 43.037 14.487 60.053 1.00 0.00 WT6 H ATOM 54318 H2 TIP3 1122 43.845 15.576 60.728 1.00 0.00 WT6 H ATOM 54319 OH2 TIP3 1138 50.113 87.790 52.300 1.00 0.00 WT6 O ATOM 54320 H1 TIP3 1138 50.139 86.944 51.853 1.00 0.00 WT6 H ATOM 54321 H2 TIP3 1138 49.769 88.397 51.645 1.00 0.00 WT6 H ATOM 54322 OH2 TIP3 1163 54.842 24.658 36.161 1.00 0.00 WT6 O ATOM 54323 H1 TIP3 1163 54.998 24.153 35.363 1.00 0.00 WT6 H ATOM 54324 H2 TIP3 1163 54.723 25.557 35.856 1.00 0.00 WT6 H ATOM 54325 OH2 TIP3 1240 57.951 54.720 -2.249 1.00 0.00 WT6 O ATOM 54326 H1 TIP3 1240 58.013 54.318 -1.382 1.00 0.00 WT6 H ATOM 54327 H2 TIP3 1240 58.688 55.329 -2.285 1.00 0.00 WT6 H ATOM 54328 OH2 TIP3 1258 82.886 73.744 54.590 1.00 0.00 WT6 O ATOM 54329 H1 TIP3 1258 82.337 74.459 54.913 1.00 0.00 WT6 H ATOM 54330 H2 TIP3 1258 82.592 72.976 55.081 1.00 0.00 WT6 H ATOM 54331 OH2 TIP3 1281 53.646 74.299 -15.095 1.00 0.00 WT6 O ATOM 54332 H1 TIP3 1281 52.799 74.025 -14.744 1.00 0.00 WT6 H ATOM 54333 H2 TIP3 1281 54.285 73.763 -14.625 1.00 0.00 WT6 H ATOM 54334 OH2 TIP3 1285 81.247 74.431 30.701 1.00 0.00 WT6 O ATOM 54335 H1 TIP3 1285 80.665 73.671 30.699 1.00 0.00 WT6 H ATOM 54336 H2 TIP3 1285 81.007 74.916 31.490 1.00 0.00 WT6 H ATOM 54337 OH2 TIP3 1301 69.532 3.834 59.607 1.00 0.00 WT6 O ATOM 54338 H1 TIP3 1301 68.653 4.214 59.600 1.00 0.00 WT6 H ATOM 54339 H2 TIP3 1301 69.924 4.123 58.783 1.00 0.00 WT6 H ATOM 54340 OH2 TIP3 1303 34.342 28.290 -11.509 1.00 0.00 WT6 O ATOM 54341 H1 TIP3 1303 34.759 28.248 -12.370 1.00 0.00 WT6 H ATOM 54342 H2 TIP3 1303 34.862 27.701 -10.962 1.00 0.00 WT6 H ATOM 54343 OH2 TIP3 1345 38.501 17.860 2.749 1.00 0.00 WT6 O ATOM 54344 H1 TIP3 1345 39.142 17.291 3.175 1.00 0.00 WT6 H ATOM 54345 H2 TIP3 1345 38.727 18.741 3.048 1.00 0.00 WT6 H ATOM 54346 OH2 TIP3 1354 33.149 76.881 20.706 1.00 0.00 WT6 O ATOM 54347 H1 TIP3 1354 33.697 76.137 20.455 1.00 0.00 WT6 H ATOM 54348 H2 TIP3 1354 32.356 76.783 20.180 1.00 0.00 WT6 H ATOM 54349 OH2 TIP3 1370 72.795 52.852 54.220 1.00 0.00 WT6 O ATOM 54350 H1 TIP3 1370 73.244 52.876 55.065 1.00 0.00 WT6 H ATOM 54351 H2 TIP3 1370 71.972 53.317 54.373 1.00 0.00 WT6 H ATOM 54352 OH2 TIP3 1373 81.079 4.547 38.960 1.00 0.00 WT6 O ATOM 54353 H1 TIP3 1373 81.169 3.623 38.729 1.00 0.00 WT6 H ATOM 54354 H2 TIP3 1373 81.925 4.783 39.341 1.00 0.00 WT6 H ATOM 54355 OH2 TIP3 1387 22.643 72.924 67.005 1.00 0.00 WT6 O ATOM 54356 H1 TIP3 1387 23.029 72.311 67.631 1.00 0.00 WT6 H ATOM 54357 H2 TIP3 1387 21.808 73.175 67.399 1.00 0.00 WT6 H ATOM 54358 OH2 TIP3 1408 80.231 80.679 44.172 1.00 0.00 WT6 O ATOM 54359 H1 TIP3 1408 80.500 80.189 44.950 1.00 0.00 WT6 H ATOM 54360 H2 TIP3 1408 81.020 81.148 43.901 1.00 0.00 WT6 H ATOM 54361 OH2 TIP3 1414 21.982 66.220 56.225 1.00 0.00 WT6 O ATOM 54362 H1 TIP3 1414 21.975 66.316 55.273 1.00 0.00 WT6 H ATOM 54363 H2 TIP3 1414 22.694 65.605 56.399 1.00 0.00 WT6 H ATOM 54364 OH2 TIP3 1429 89.238 81.083 27.630 1.00 0.00 WT6 O ATOM 54365 H1 TIP3 1429 88.824 81.255 26.785 1.00 0.00 WT6 H ATOM 54366 H2 TIP3 1429 90.027 80.586 27.414 1.00 0.00 WT6 H ATOM 54367 OH2 TIP3 1433 35.835 61.349 54.091 1.00 0.00 WT6 O ATOM 54368 H1 TIP3 1433 35.747 61.614 53.175 1.00 0.00 WT6 H ATOM 54369 H2 TIP3 1433 36.325 62.062 54.501 1.00 0.00 WT6 H ATOM 54370 OH2 TIP3 1440 61.252 68.745 -17.233 1.00 0.00 WT6 O ATOM 54371 H1 TIP3 1440 61.156 67.803 -17.375 1.00 0.00 WT6 H ATOM 54372 H2 TIP3 1440 61.204 68.851 -16.283 1.00 0.00 WT6 H ATOM 54373 OH2 TIP3 1451 69.044 36.839 58.954 1.00 0.00 WT6 O ATOM 54374 H1 TIP3 1451 69.813 37.407 58.917 1.00 0.00 WT6 H ATOM 54375 H2 TIP3 1451 68.558 37.040 58.155 1.00 0.00 WT6 H ATOM 54376 OH2 TIP3 1466 71.767 11.742 -15.826 1.00 0.00 WT6 O ATOM 54377 H1 TIP3 1466 70.876 12.030 -16.024 1.00 0.00 WT6 H ATOM 54378 H2 TIP3 1466 71.695 11.302 -14.979 1.00 0.00 WT6 H ATOM 54379 OH2 TIP3 1477 21.291 76.263 44.194 1.00 0.00 WT6 O ATOM 54380 H1 TIP3 1477 20.672 75.978 43.521 1.00 0.00 WT6 H ATOM 54381 H2 TIP3 1477 22.031 75.662 44.108 1.00 0.00 WT6 H ATOM 54382 OH2 TIP3 1480 53.480 9.353 -1.319 1.00 0.00 WT6 O ATOM 54383 H1 TIP3 1480 54.220 9.116 -1.878 1.00 0.00 WT6 H ATOM 54384 H2 TIP3 1480 53.848 9.959 -0.676 1.00 0.00 WT6 H ATOM 54385 OH2 TIP3 1492 20.974 57.455 -7.726 1.00 0.00 WT6 O ATOM 54386 H1 TIP3 1492 21.740 57.744 -8.223 1.00 0.00 WT6 H ATOM 54387 H2 TIP3 1492 20.270 58.037 -8.013 1.00 0.00 WT6 H ATOM 54388 OH2 TIP3 1573 72.274 89.400 26.661 1.00 0.00 WT6 O ATOM 54389 H1 TIP3 1573 71.994 88.510 26.873 1.00 0.00 WT6 H ATOM 54390 H2 TIP3 1573 72.769 89.309 25.847 1.00 0.00 WT6 H ATOM 54391 OH2 TIP3 1599 60.101 55.940 -14.918 1.00 0.00 WT6 O ATOM 54392 H1 TIP3 1599 60.427 55.644 -14.068 1.00 0.00 WT6 H ATOM 54393 H2 TIP3 1599 59.411 56.568 -14.705 1.00 0.00 WT6 H ATOM 54394 OH2 TIP3 1618 59.004 36.206 65.923 1.00 0.00 WT6 O ATOM 54395 H1 TIP3 1618 58.519 35.914 65.151 1.00 0.00 WT6 H ATOM 54396 H2 TIP3 1618 58.511 36.961 66.244 1.00 0.00 WT6 H ATOM 54397 OH2 TIP3 1624 43.398 72.079 48.518 1.00 0.00 WT6 O ATOM 54398 H1 TIP3 1624 42.619 72.561 48.239 1.00 0.00 WT6 H ATOM 54399 H2 TIP3 1624 43.261 71.190 48.190 1.00 0.00 WT6 H ATOM 54400 OH2 TIP3 1625 68.527 87.284 6.881 1.00 0.00 WT6 O ATOM 54401 H1 TIP3 1625 67.903 87.581 7.543 1.00 0.00 WT6 H ATOM 54402 H2 TIP3 1625 68.431 86.332 6.871 1.00 0.00 WT6 H ATOM 54403 OH2 TIP3 1648 77.994 48.458 55.542 1.00 0.00 WT6 O ATOM 54404 H1 TIP3 1648 77.609 48.668 54.692 1.00 0.00 WT6 H ATOM 54405 H2 TIP3 1648 78.301 49.299 55.881 1.00 0.00 WT6 H ATOM 54406 OH2 TIP3 1656 36.276 43.724 7.039 1.00 0.00 WT6 O ATOM 54407 H1 TIP3 1656 36.333 43.864 7.984 1.00 0.00 WT6 H ATOM 54408 H2 TIP3 1656 37.070 43.237 6.819 1.00 0.00 WT6 H ATOM 54409 OH2 TIP3 1664 52.381 29.039 63.825 1.00 0.00 WT6 O ATOM 54410 H1 TIP3 1664 51.958 29.897 63.796 1.00 0.00 WT6 H ATOM 54411 H2 TIP3 1664 51.986 28.552 63.102 1.00 0.00 WT6 H ATOM 54412 OH2 TIP3 1691 21.701 95.164 4.889 1.00 0.00 WT6 O ATOM 54413 H1 TIP3 1691 22.567 94.769 4.990 1.00 0.00 WT6 H ATOM 54414 H2 TIP3 1691 21.097 94.515 5.249 1.00 0.00 WT6 H ATOM 54415 OH2 TIP3 1706 27.068 47.164 19.185 1.00 0.00 WT6 O ATOM 54416 H1 TIP3 1706 27.979 47.352 18.961 1.00 0.00 WT6 H ATOM 54417 H2 TIP3 1706 26.780 47.930 19.682 1.00 0.00 WT6 H ATOM 54418 OH2 TIP3 1725 65.515 4.135 27.048 1.00 0.00 WT6 O ATOM 54419 H1 TIP3 1725 66.229 3.529 26.851 1.00 0.00 WT6 H ATOM 54420 H2 TIP3 1725 65.932 4.852 27.526 1.00 0.00 WT6 H ATOM 54421 OH2 TIP3 1733 46.394 77.296 63.342 1.00 0.00 WT6 O ATOM 54422 H1 TIP3 1733 46.377 78.022 63.966 1.00 0.00 WT6 H ATOM 54423 H2 TIP3 1733 47.325 77.113 63.213 1.00 0.00 WT6 H ATOM 54424 OH2 TIP3 1751 45.303 19.142 39.686 1.00 0.00 WT6 O ATOM 54425 H1 TIP3 1751 45.348 19.934 39.152 1.00 0.00 WT6 H ATOM 54426 H2 TIP3 1751 44.376 19.057 39.911 1.00 0.00 WT6 H ATOM 54427 OH2 TIP3 1769 53.766 69.905 27.347 1.00 0.00 WT6 O ATOM 54428 H1 TIP3 1769 52.863 69.628 27.195 1.00 0.00 WT6 H ATOM 54429 H2 TIP3 1769 54.179 69.863 26.485 1.00 0.00 WT6 H ATOM 54430 OH2 TIP3 1771 28.477 91.433 29.573 1.00 0.00 WT6 O ATOM 54431 H1 TIP3 1771 27.752 91.880 30.009 1.00 0.00 WT6 H ATOM 54432 H2 TIP3 1771 29.166 92.094 29.513 1.00 0.00 WT6 H ATOM 54433 OH2 TIP3 1849 55.437 19.455 27.031 1.00 0.00 WT6 O ATOM 54434 H1 TIP3 1849 55.251 20.382 26.879 1.00 0.00 WT6 H ATOM 54435 H2 TIP3 1849 56.375 19.427 27.219 1.00 0.00 WT6 H ATOM 54436 OH2 TIP3 1853 69.094 65.489 14.291 1.00 0.00 WT6 O ATOM 54437 H1 TIP3 1853 69.099 64.677 13.784 1.00 0.00 WT6 H ATOM 54438 H2 TIP3 1853 68.569 65.286 15.065 1.00 0.00 WT6 H ATOM 54439 OH2 TIP3 1892 56.639 50.179 -8.265 1.00 0.00 WT6 O ATOM 54440 H1 TIP3 1892 56.092 49.876 -8.990 1.00 0.00 WT6 H ATOM 54441 H2 TIP3 1892 56.041 50.234 -7.520 1.00 0.00 WT6 H ATOM 54442 OH2 TIP3 1897 41.033 38.408 18.873 1.00 0.00 WT6 O ATOM 54443 H1 TIP3 1897 41.465 37.902 19.562 1.00 0.00 WT6 H ATOM 54444 H2 TIP3 1897 40.665 37.747 18.286 1.00 0.00 WT6 H ATOM 54445 OH2 TIP3 1918 38.092 28.274 59.527 1.00 0.00 WT6 O ATOM 54446 H1 TIP3 1918 37.913 27.397 59.867 1.00 0.00 WT6 H ATOM 54447 H2 TIP3 1918 37.807 28.865 60.224 1.00 0.00 WT6 H ATOM 54448 OH2 TIP3 1978 65.291 43.414 64.077 1.00 0.00 WT6 O ATOM 54449 H1 TIP3 1978 65.680 43.497 64.947 1.00 0.00 WT6 H ATOM 54450 H2 TIP3 1978 64.800 42.593 64.111 1.00 0.00 WT6 H ATOM 54451 OH2 TIP3 2000 46.031 29.362 -18.999 1.00 0.00 WT6 O ATOM 54452 H1 TIP3 2000 46.385 29.057 -18.163 1.00 0.00 WT6 H ATOM 54453 H2 TIP3 2000 45.169 29.715 -18.779 1.00 0.00 WT6 H ATOM 54454 OH2 TIP3 2022 23.958 43.108 33.968 1.00 0.00 WT6 O ATOM 54455 H1 TIP3 2022 24.541 43.605 33.393 1.00 0.00 WT6 H ATOM 54456 H2 TIP3 2022 23.454 43.776 34.433 1.00 0.00 WT6 H ATOM 54457 OH2 TIP3 2083 27.788 82.781 16.657 1.00 0.00 WT6 O ATOM 54458 H1 TIP3 2083 28.608 82.833 16.165 1.00 0.00 WT6 H ATOM 54459 H2 TIP3 2083 27.994 82.224 17.408 1.00 0.00 WT6 H ATOM 54460 OH2 TIP3 2085 42.252 31.642 -6.372 1.00 0.00 WT6 O ATOM 54461 H1 TIP3 2085 41.312 31.713 -6.537 1.00 0.00 WT6 H ATOM 54462 H2 TIP3 2085 42.315 31.320 -5.473 1.00 0.00 WT6 H ATOM 54463 OH2 TIP3 2108 90.632 33.353 62.083 1.00 0.00 WT6 O ATOM 54464 H1 TIP3 2108 90.982 33.928 61.403 1.00 0.00 WT6 H ATOM 54465 H2 TIP3 2108 89.850 32.965 61.691 1.00 0.00 WT6 H ATOM 54466 OH2 TIP3 2150 26.273 83.043 39.350 1.00 0.00 WT6 O ATOM 54467 H1 TIP3 2150 25.889 83.149 38.480 1.00 0.00 WT6 H ATOM 54468 H2 TIP3 2150 25.656 82.482 39.818 1.00 0.00 WT6 H ATOM 54469 OH2 TIP3 2183 64.360 96.134 3.046 1.00 0.00 WT6 O ATOM 54470 H1 TIP3 2183 64.162 95.357 3.569 1.00 0.00 WT6 H ATOM 54471 H2 TIP3 2183 65.253 96.370 3.296 1.00 0.00 WT6 H ATOM 54472 OH2 TIP3 2190 26.571 67.157 2.691 1.00 0.00 WT6 O ATOM 54473 H1 TIP3 2190 25.918 67.077 3.386 1.00 0.00 WT6 H ATOM 54474 H2 TIP3 2190 27.412 67.078 3.141 1.00 0.00 WT6 H ATOM 54475 OH2 TIP3 2231 45.184 78.851 59.329 1.00 0.00 WT6 O ATOM 54476 H1 TIP3 2231 45.179 78.988 58.382 1.00 0.00 WT6 H ATOM 54477 H2 TIP3 2231 44.275 78.646 59.548 1.00 0.00 WT6 H ATOM 54478 OH2 TIP3 2270 37.273 17.020 -1.893 1.00 0.00 WT6 O ATOM 54479 H1 TIP3 2270 37.206 17.975 -1.876 1.00 0.00 WT6 H ATOM 54480 H2 TIP3 2270 38.059 16.825 -1.383 1.00 0.00 WT6 H ATOM 54481 OH2 TIP3 2288 50.010 45.578 6.394 1.00 0.00 WT6 O ATOM 54482 H1 TIP3 2288 50.605 45.645 5.648 1.00 0.00 WT6 H ATOM 54483 H2 TIP3 2288 50.565 45.284 7.117 1.00 0.00 WT6 H ATOM 54484 OH2 TIP3 2290 66.231 54.315 55.884 1.00 0.00 WT6 O ATOM 54485 H1 TIP3 2290 65.643 54.603 56.583 1.00 0.00 WT6 H ATOM 54486 H2 TIP3 2290 65.833 54.654 55.082 1.00 0.00 WT6 H ATOM 54487 OH2 TIP3 2293 45.839 8.858 22.798 1.00 0.00 WT6 O ATOM 54488 H1 TIP3 2293 46.162 8.577 21.942 1.00 0.00 WT6 H ATOM 54489 H2 TIP3 2293 46.617 9.181 23.254 1.00 0.00 WT6 H ATOM 54490 OH2 TIP3 2317 74.630 37.476 66.628 1.00 0.00 WT6 O ATOM 54491 H1 TIP3 2317 75.096 37.961 67.309 1.00 0.00 WT6 H ATOM 54492 H2 TIP3 2317 75.258 36.818 66.330 1.00 0.00 WT6 H ATOM 54493 OH2 TIP3 2357 22.300 31.618 56.938 1.00 0.00 WT6 O ATOM 54494 H1 TIP3 2357 22.495 32.471 56.550 1.00 0.00 WT6 H ATOM 54495 H2 TIP3 2357 22.858 31.574 57.715 1.00 0.00 WT6 H ATOM 54496 OH2 TIP3 2358 23.587 0.859 57.097 1.00 0.00 WT6 O ATOM 54497 H1 TIP3 2358 23.956 0.922 56.216 1.00 0.00 WT6 H ATOM 54498 H2 TIP3 2358 23.745 1.719 57.485 1.00 0.00 WT6 H ATOM 54499 OH2 TIP3 2500 35.738 34.392 40.114 1.00 0.00 WT6 O ATOM 54500 H1 TIP3 2500 35.130 34.092 40.790 1.00 0.00 WT6 H ATOM 54501 H2 TIP3 2500 35.228 34.367 39.305 1.00 0.00 WT6 H ATOM 54502 OH2 TIP3 2521 45.604 96.093 41.195 1.00 0.00 WT6 O ATOM 54503 H1 TIP3 2521 44.729 96.453 41.343 1.00 0.00 WT6 H ATOM 54504 H2 TIP3 2521 45.499 95.150 41.318 1.00 0.00 WT6 H ATOM 54505 OH2 TIP3 2524 26.806 55.475 -15.078 1.00 0.00 WT6 O ATOM 54506 H1 TIP3 2524 26.504 56.040 -14.366 1.00 0.00 WT6 H ATOM 54507 H2 TIP3 2524 26.142 54.789 -15.138 1.00 0.00 WT6 H ATOM 54508 OH2 TIP3 2525 83.554 54.159 40.895 1.00 0.00 WT6 O ATOM 54509 H1 TIP3 2525 83.786 54.748 41.613 1.00 0.00 WT6 H ATOM 54510 H2 TIP3 2525 82.782 54.560 40.495 1.00 0.00 WT6 H ATOM 54511 OH2 TIP3 2570 27.212 41.017 49.653 1.00 0.00 WT6 O ATOM 54512 H1 TIP3 2570 26.382 41.025 50.130 1.00 0.00 WT6 H ATOM 54513 H2 TIP3 2570 27.017 41.458 48.826 1.00 0.00 WT6 H ATOM 54514 OH2 TIP3 2714 36.838 12.439 -5.199 1.00 0.00 WT6 O ATOM 54515 H1 TIP3 2714 35.912 12.517 -4.970 1.00 0.00 WT6 H ATOM 54516 H2 TIP3 2714 36.838 12.011 -6.055 1.00 0.00 WT6 H ATOM 54517 OH2 TIP3 2781 61.747 71.743 66.701 1.00 0.00 WT6 O ATOM 54518 H1 TIP3 2781 62.029 70.859 66.935 1.00 0.00 WT6 H ATOM 54519 H2 TIP3 2781 60.802 71.666 66.566 1.00 0.00 WT6 H ATOM 54520 OH2 TIP3 2802 30.948 54.644 31.245 1.00 0.00 WT6 O ATOM 54521 H1 TIP3 2802 31.185 53.950 30.630 1.00 0.00 WT6 H ATOM 54522 H2 TIP3 2802 31.771 55.102 31.418 1.00 0.00 WT6 H ATOM 54523 OH2 TIP3 3029 43.417 41.691 40.410 1.00 0.00 WT6 O ATOM 54524 H1 TIP3 3029 43.403 41.170 39.608 1.00 0.00 WT6 H ATOM 54525 H2 TIP3 3029 42.950 41.156 41.052 1.00 0.00 WT6 H ATOM 54526 OH2 TIP3 5421 24.054 24.482 16.158 1.00 0.00 WT6 O ATOM 54527 H1 TIP3 5421 23.127 24.459 15.921 1.00 0.00 WT6 H ATOM 54528 H2 TIP3 5421 24.108 25.141 16.851 1.00 0.00 WT6 H ATOM 54529 OH2 TIP3 6240 42.946 12.781 -19.135 1.00 0.00 WT6 O ATOM 54530 H1 TIP3 6240 43.718 12.214 -19.165 1.00 0.00 WT6 H ATOM 54531 H2 TIP3 6240 42.208 12.188 -19.276 1.00 0.00 WT6 H ATOM 54532 OH2 TIP3 6350 79.595 90.246 16.794 1.00 0.00 WT6 O ATOM 54533 H1 TIP3 6350 79.967 91.000 17.252 1.00 0.00 WT6 H ATOM 54534 H2 TIP3 6350 80.104 89.499 17.109 1.00 0.00 WT6 H ATOM 54535 OH2 TIP3 6671 42.163 96.362 6.134 1.00 0.00 WT6 O ATOM 54536 H1 TIP3 6671 41.527 95.655 6.033 1.00 0.00 WT6 H ATOM 54537 H2 TIP3 6671 41.879 97.032 5.512 1.00 0.00 WT6 H ATOM 54538 OH2 TIP3 6980 50.105 18.597 48.798 1.00 0.00 WT6 O ATOM 54539 H1 TIP3 6980 50.827 18.866 48.229 1.00 0.00 WT6 H ATOM 54540 H2 TIP3 6980 49.613 17.961 48.279 1.00 0.00 WT6 H ATOM 54541 OH2 TIP3 7563 84.556 89.033 59.941 1.00 0.00 WT6 O ATOM 54542 H1 TIP3 7563 85.075 88.230 59.970 1.00 0.00 WT6 H ATOM 54543 H2 TIP3 7563 84.696 89.441 60.795 1.00 0.00 WT6 H ATOM 54544 OH2 TIP3 7583 88.011 93.398 -11.092 1.00 0.00 WT6 O ATOM 54545 H1 TIP3 7583 88.684 92.903 -11.560 1.00 0.00 WT6 H ATOM 54546 H2 TIP3 7583 87.504 92.733 -10.626 1.00 0.00 WT6 H ATOM 54547 OH2 TIP3 7603 77.259 22.960 43.159 1.00 0.00 WT6 O ATOM 54548 H1 TIP3 7603 76.450 23.030 42.652 1.00 0.00 WT6 H ATOM 54549 H2 TIP3 7603 77.932 22.752 42.511 1.00 0.00 WT6 H ATOM 54550 OH2 TIP3 7607 67.581 19.046 14.453 1.00 0.00 WT6 O ATOM 54551 H1 TIP3 7607 67.222 18.399 15.060 1.00 0.00 WT6 H ATOM 54552 H2 TIP3 7607 67.165 19.870 14.707 1.00 0.00 WT6 H ATOM 54553 OH2 TIP3 7630 63.837 22.917 8.466 1.00 0.00 WT6 O ATOM 54554 H1 TIP3 7630 63.351 22.258 7.970 1.00 0.00 WT6 H ATOM 54555 H2 TIP3 7630 63.705 23.730 7.978 1.00 0.00 WT6 H ATOM 54556 OH2 TIP3 7631 42.615 10.407 47.069 1.00 0.00 WT6 O ATOM 54557 H1 TIP3 7631 43.087 9.824 47.663 1.00 0.00 WT6 H ATOM 54558 H2 TIP3 7631 43.048 11.255 47.171 1.00 0.00 WT6 H ATOM 54559 OH2 TIP3 7647 28.844 31.406 14.342 1.00 0.00 WT6 O ATOM 54560 H1 TIP3 7647 28.753 31.989 13.589 1.00 0.00 WT6 H ATOM 54561 H2 TIP3 7647 28.998 31.992 15.083 1.00 0.00 WT6 H ATOM 54562 OH2 TIP3 7650 85.235 70.651 36.737 1.00 0.00 WT6 O ATOM 54563 H1 TIP3 7650 85.726 69.857 36.525 1.00 0.00 WT6 H ATOM 54564 H2 TIP3 7650 84.941 70.985 35.890 1.00 0.00 WT6 H ATOM 54565 OH2 TIP3 7707 69.400 4.802 49.603 1.00 0.00 WT6 O ATOM 54566 H1 TIP3 7707 70.286 5.091 49.821 1.00 0.00 WT6 H ATOM 54567 H2 TIP3 7707 68.867 5.595 49.663 1.00 0.00 WT6 H ATOM 54568 OH2 TIP3 7748 37.274 53.977 39.578 1.00 0.00 WT6 O ATOM 54569 H1 TIP3 7748 36.463 54.157 39.103 1.00 0.00 WT6 H ATOM 54570 H2 TIP3 7748 37.925 54.545 39.166 1.00 0.00 WT6 H ATOM 54571 OH2 TIP3 7833 43.822 30.053 64.057 1.00 0.00 WT6 O ATOM 54572 H1 TIP3 7833 44.215 30.366 64.872 1.00 0.00 WT6 H ATOM 54573 H2 TIP3 7833 44.272 29.228 63.876 1.00 0.00 WT6 H ATOM 54574 OH2 TIP3 7944 36.512 82.077 64.591 1.00 0.00 WT6 O ATOM 54575 H1 TIP3 7944 36.933 81.855 63.760 1.00 0.00 WT6 H ATOM 54576 H2 TIP3 7944 35.683 81.598 64.575 1.00 0.00 WT6 H ATOM 54577 OH2 TIP3 7959 22.836 72.064 3.371 1.00 0.00 WT6 O ATOM 54578 H1 TIP3 7959 22.259 71.327 3.574 1.00 0.00 WT6 H ATOM 54579 H2 TIP3 7959 23.673 71.831 3.773 1.00 0.00 WT6 H ATOM 54580 OH2 TIP3 7979 62.300 92.669 17.047 1.00 0.00 WT6 O ATOM 54581 H1 TIP3 7979 62.674 91.818 17.275 1.00 0.00 WT6 H ATOM 54582 H2 TIP3 7979 63.036 93.279 17.108 1.00 0.00 WT6 H ATOM 54583 OH2 TIP3 7985 68.980 2.250 -6.359 1.00 0.00 WT6 O ATOM 54584 H1 TIP3 7985 69.053 3.081 -5.890 1.00 0.00 WT6 H ATOM 54585 H2 TIP3 7985 68.788 2.500 -7.262 1.00 0.00 WT6 H ATOM 54586 OH2 TIP3 8023 76.900 89.516 23.385 1.00 0.00 WT6 O ATOM 54587 H1 TIP3 8023 76.481 89.816 24.192 1.00 0.00 WT6 H ATOM 54588 H2 TIP3 8023 77.661 89.016 23.681 1.00 0.00 WT6 H ATOM 54589 OH2 TIP3 8024 41.984 39.341 59.898 1.00 0.00 WT6 O ATOM 54590 H1 TIP3 8024 41.523 38.504 59.962 1.00 0.00 WT6 H ATOM 54591 H2 TIP3 8024 42.203 39.564 60.803 1.00 0.00 WT6 H ATOM 54592 OH2 TIP3 8046 57.968 34.383 45.840 1.00 0.00 WT6 O ATOM 54593 H1 TIP3 8046 57.386 35.120 46.026 1.00 0.00 WT6 H ATOM 54594 H2 TIP3 8046 58.659 34.756 45.292 1.00 0.00 WT6 H ATOM 54595 OH2 TIP3 8064 87.051 29.704 -1.987 1.00 0.00 WT6 O ATOM 54596 H1 TIP3 8064 86.286 30.259 -2.140 1.00 0.00 WT6 H ATOM 54597 H2 TIP3 8064 87.794 30.241 -2.263 1.00 0.00 WT6 H ATOM 54598 OH2 TIP3 8067 75.285 19.469 36.405 1.00 0.00 WT6 O ATOM 54599 H1 TIP3 8067 75.383 19.173 37.310 1.00 0.00 WT6 H ATOM 54600 H2 TIP3 8067 74.344 19.608 36.298 1.00 0.00 WT6 H ATOM 54601 OH2 TIP3 8068 70.319 77.630 37.847 1.00 0.00 WT6 O ATOM 54602 H1 TIP3 8068 69.672 77.959 37.223 1.00 0.00 WT6 H ATOM 54603 H2 TIP3 8068 71.092 77.443 37.314 1.00 0.00 WT6 H ATOM 54604 OH2 TIP3 8136 57.967 66.139 39.945 1.00 0.00 WT6 O ATOM 54605 H1 TIP3 8136 57.884 65.912 39.019 1.00 0.00 WT6 H ATOM 54606 H2 TIP3 8136 57.074 66.095 40.285 1.00 0.00 WT6 H ATOM 54607 OH2 TIP3 8173 55.871 27.855 -17.467 1.00 0.00 WT6 O ATOM 54608 H1 TIP3 8173 56.586 28.488 -17.539 1.00 0.00 WT6 H ATOM 54609 H2 TIP3 8173 55.207 28.173 -18.078 1.00 0.00 WT6 H ATOM 54610 OH2 TIP3 8174 24.841 49.793 43.399 1.00 0.00 WT6 O ATOM 54611 H1 TIP3 8174 25.378 49.058 43.698 1.00 0.00 WT6 H ATOM 54612 H2 TIP3 8174 24.989 49.829 42.454 1.00 0.00 WT6 H ATOM 54613 OH2 TIP3 8193 60.339 8.356 63.642 1.00 0.00 WT6 O ATOM 54614 H1 TIP3 8193 59.457 7.987 63.693 1.00 0.00 WT6 H ATOM 54615 H2 TIP3 8193 60.201 9.276 63.416 1.00 0.00 WT6 H ATOM 54616 OH2 TIP3 8218 39.026 56.115 48.424 1.00 0.00 WT6 O ATOM 54617 H1 TIP3 8218 39.973 56.180 48.545 1.00 0.00 WT6 H ATOM 54618 H2 TIP3 8218 38.722 57.022 48.413 1.00 0.00 WT6 H ATOM 54619 OH2 TIP3 8260 79.823 64.725 50.533 1.00 0.00 WT6 O ATOM 54620 H1 TIP3 8260 79.697 63.974 51.113 1.00 0.00 WT6 H ATOM 54621 H2 TIP3 8260 79.269 64.537 49.775 1.00 0.00 WT6 H ATOM 54622 OH2 TIP3 8278 74.181 45.208 15.187 1.00 0.00 WT6 O ATOM 54623 H1 TIP3 8278 74.030 46.016 14.696 1.00 0.00 WT6 H ATOM 54624 H2 TIP3 8278 73.308 44.928 15.462 1.00 0.00 WT6 H ATOM 54625 OH2 TIP3 8383 54.884 29.163 47.692 1.00 0.00 WT6 O ATOM 54626 H1 TIP3 8383 55.159 28.295 47.987 1.00 0.00 WT6 H ATOM 54627 H2 TIP3 8383 54.704 29.054 46.758 1.00 0.00 WT6 H ATOM 54628 OH2 TIP3 8403 30.172 13.053 56.563 1.00 0.00 WT6 O ATOM 54629 H1 TIP3 8403 29.790 13.830 56.972 1.00 0.00 WT6 H ATOM 54630 H2 TIP3 8403 30.473 13.356 55.706 1.00 0.00 WT6 H ATOM 54631 OH2 TIP3 8411 44.597 4.192 22.874 1.00 0.00 WT6 O ATOM 54632 H1 TIP3 8411 43.757 3.737 22.924 1.00 0.00 WT6 H ATOM 54633 H2 TIP3 8411 44.477 4.843 22.182 1.00 0.00 WT6 H ATOM 54634 OH2 TIP3 8425 21.121 60.885 25.180 1.00 0.00 WT6 O ATOM 54635 H1 TIP3 8425 20.262 60.782 24.770 1.00 0.00 WT6 H ATOM 54636 H2 TIP3 8425 21.584 60.074 24.972 1.00 0.00 WT6 H ATOM 54637 OH2 TIP3 8466 79.784 74.638 50.886 1.00 0.00 WT6 O ATOM 54638 H1 TIP3 8466 80.112 74.447 51.765 1.00 0.00 WT6 H ATOM 54639 H2 TIP3 8466 79.068 74.016 50.758 1.00 0.00 WT6 H ATOM 54640 OH2 TIP3 8468 44.660 42.652 60.687 1.00 0.00 WT6 O ATOM 54641 H1 TIP3 8468 44.727 43.421 61.254 1.00 0.00 WT6 H ATOM 54642 H2 TIP3 8468 44.659 41.909 61.290 1.00 0.00 WT6 H ATOM 54643 OH2 TIP3 8488 75.752 45.026 -19.157 1.00 0.00 WT6 O ATOM 54644 H1 TIP3 8488 76.249 45.765 -19.508 1.00 0.00 WT6 H ATOM 54645 H2 TIP3 8488 75.339 44.629 -19.924 1.00 0.00 WT6 H ATOM 54646 OH2 TIP3 8534 77.953 84.617 40.748 1.00 0.00 WT6 O ATOM 54647 H1 TIP3 8534 78.316 83.804 41.100 1.00 0.00 WT6 H ATOM 54648 H2 TIP3 8534 77.008 84.529 40.867 1.00 0.00 WT6 H ATOM 54649 OH2 TIP3 8536 34.112 36.531 5.275 1.00 0.00 WT6 O ATOM 54650 H1 TIP3 8536 34.323 35.749 4.764 1.00 0.00 WT6 H ATOM 54651 H2 TIP3 8536 34.903 37.069 5.228 1.00 0.00 WT6 H ATOM 54652 OH2 TIP3 8549 82.557 45.928 43.042 1.00 0.00 WT6 O ATOM 54653 H1 TIP3 8549 83.470 45.899 43.330 1.00 0.00 WT6 H ATOM 54654 H2 TIP3 8549 82.254 45.023 43.119 1.00 0.00 WT6 H ATOM 54655 OH2 TIP3 8556 35.269 10.642 56.942 1.00 0.00 WT6 O ATOM 54656 H1 TIP3 8556 35.078 9.760 57.262 1.00 0.00 WT6 H ATOM 54657 H2 TIP3 8556 34.423 10.980 56.651 1.00 0.00 WT6 H ATOM 54658 OH2 TIP3 8558 86.085 64.567 64.455 1.00 0.00 WT6 O ATOM 54659 H1 TIP3 8558 85.482 65.201 64.066 1.00 0.00 WT6 H ATOM 54660 H2 TIP3 8558 86.890 65.063 64.606 1.00 0.00 WT6 H ATOM 54661 OH2 TIP3 8574 39.614 37.414 60.629 1.00 0.00 WT6 O ATOM 54662 H1 TIP3 8574 39.126 38.218 60.450 1.00 0.00 WT6 H ATOM 54663 H2 TIP3 8574 39.524 36.896 59.830 1.00 0.00 WT6 H ATOM 54664 OH2 TIP3 8653 22.938 56.755 42.050 1.00 0.00 WT6 O ATOM 54665 H1 TIP3 8653 22.334 57.380 42.449 1.00 0.00 WT6 H ATOM 54666 H2 TIP3 8653 22.403 55.980 41.878 1.00 0.00 WT6 H ATOM 54667 OH2 TIP3 8662 20.529 55.819 54.237 1.00 0.00 WT6 O ATOM 54668 H1 TIP3 8662 21.097 56.410 53.742 1.00 0.00 WT6 H ATOM 54669 H2 TIP3 8662 20.071 56.388 54.855 1.00 0.00 WT6 H ATOM 54670 OH2 TIP3 8675 24.916 50.479 -0.447 1.00 0.00 WT6 O ATOM 54671 H1 TIP3 8675 25.267 50.932 0.319 1.00 0.00 WT6 H ATOM 54672 H2 TIP3 8675 24.177 49.974 -0.110 1.00 0.00 WT6 H ATOM 54673 OH2 TIP3 8679 76.714 59.978 53.933 1.00 0.00 WT6 O ATOM 54674 H1 TIP3 8679 76.171 59.743 54.686 1.00 0.00 WT6 H ATOM 54675 H2 TIP3 8679 77.005 59.140 53.575 1.00 0.00 WT6 H ATOM 54676 OH2 TIP3 8683 72.754 79.153 1.441 1.00 0.00 WT6 O ATOM 54677 H1 TIP3 8683 71.873 78.858 1.670 1.00 0.00 WT6 H ATOM 54678 H2 TIP3 8683 73.006 79.736 2.157 1.00 0.00 WT6 H ATOM 54679 OH2 TIP3 8691 82.244 36.537 -9.458 1.00 0.00 WT6 O ATOM 54680 H1 TIP3 8691 81.983 37.224 -8.844 1.00 0.00 WT6 H ATOM 54681 H2 TIP3 8691 81.599 35.841 -9.327 1.00 0.00 WT6 H ATOM 54682 OH2 TIP3 8695 33.850 72.763 26.783 1.00 0.00 WT6 O ATOM 54683 H1 TIP3 8695 34.640 72.556 27.283 1.00 0.00 WT6 H ATOM 54684 H2 TIP3 8695 33.134 72.644 27.408 1.00 0.00 WT6 H ATOM 54685 OH2 TIP3 8699 75.920 56.190 3.328 1.00 0.00 WT6 O ATOM 54686 H1 TIP3 8699 75.601 55.314 3.110 1.00 0.00 WT6 H ATOM 54687 H2 TIP3 8699 76.142 56.140 4.257 1.00 0.00 WT6 H ATOM 54688 OH2 TIP3 8701 22.144 68.449 24.917 1.00 0.00 WT6 O ATOM 54689 H1 TIP3 8701 22.917 68.864 24.535 1.00 0.00 WT6 H ATOM 54690 H2 TIP3 8701 22.301 67.510 24.816 1.00 0.00 WT6 H ATOM 54691 OH2 TIP3 8721 45.893 20.943 45.637 1.00 0.00 WT6 O ATOM 54692 H1 TIP3 8721 46.230 21.257 44.798 1.00 0.00 WT6 H ATOM 54693 H2 TIP3 8721 45.249 21.601 45.898 1.00 0.00 WT6 H ATOM 54694 OH2 TIP3 8722 62.962 66.527 49.117 1.00 0.00 WT6 O ATOM 54695 H1 TIP3 8722 62.248 66.982 49.562 1.00 0.00 WT6 H ATOM 54696 H2 TIP3 8722 62.908 65.626 49.435 1.00 0.00 WT6 H ATOM 54697 OH2 TIP3 8780 25.273 8.917 51.525 1.00 0.00 WT6 O ATOM 54698 H1 TIP3 8780 24.350 9.085 51.714 1.00 0.00 WT6 H ATOM 54699 H2 TIP3 8780 25.736 9.215 52.308 1.00 0.00 WT6 H ATOM 54700 OH2 TIP3 8800 30.608 0.088 -5.838 1.00 0.00 WT6 O ATOM 54701 H1 TIP3 8800 31.104 0.868 -5.590 1.00 0.00 WT6 H ATOM 54702 H2 TIP3 8800 30.334 -0.298 -5.006 1.00 0.00 WT6 H ATOM 54703 OH2 TIP3 8809 90.632 37.012 21.572 1.00 0.00 WT6 O ATOM 54704 H1 TIP3 8809 90.301 36.993 20.674 1.00 0.00 WT6 H ATOM 54705 H2 TIP3 8809 90.195 36.279 22.005 1.00 0.00 WT6 H ATOM 54706 OH2 TIP3 8822 73.041 20.762 -7.412 1.00 0.00 WT6 O ATOM 54707 H1 TIP3 8822 73.530 20.306 -6.727 1.00 0.00 WT6 H ATOM 54708 H2 TIP3 8822 72.368 21.253 -6.941 1.00 0.00 WT6 H ATOM 54709 OH2 TIP3 8829 74.548 19.839 -5.499 1.00 0.00 WT6 O ATOM 54710 H1 TIP3 8829 75.501 19.745 -5.491 1.00 0.00 WT6 H ATOM 54711 H2 TIP3 8829 74.270 19.532 -4.636 1.00 0.00 WT6 H ATOM 54712 OH2 TIP3 8845 63.724 32.574 -2.710 1.00 0.00 WT6 O ATOM 54713 H1 TIP3 8845 63.938 32.199 -1.855 1.00 0.00 WT6 H ATOM 54714 H2 TIP3 8845 63.493 31.820 -3.252 1.00 0.00 WT6 H ATOM 54715 OH2 TIP3 8890 77.757 55.132 44.154 1.00 0.00 WT6 O ATOM 54716 H1 TIP3 8890 77.225 55.718 43.616 1.00 0.00 WT6 H ATOM 54717 H2 TIP3 8890 78.356 55.714 44.623 1.00 0.00 WT6 H ATOM 54718 OH2 TIP3 8927 38.112 19.749 21.856 1.00 0.00 WT6 O ATOM 54719 H1 TIP3 8927 38.078 19.597 20.911 1.00 0.00 WT6 H ATOM 54720 H2 TIP3 8927 38.610 19.008 22.200 1.00 0.00 WT6 H ATOM 54721 OH2 TIP3 8935 60.127 79.880 4.223 1.00 0.00 WT6 O ATOM 54722 H1 TIP3 8935 60.602 79.086 3.978 1.00 0.00 WT6 H ATOM 54723 H2 TIP3 8935 59.337 79.561 4.660 1.00 0.00 WT6 H ATOM 54724 OH2 TIP3 8972 71.767 41.095 31.085 1.00 0.00 WT6 O ATOM 54725 H1 TIP3 8972 72.343 41.773 30.734 1.00 0.00 WT6 H ATOM 54726 H2 TIP3 8972 71.478 40.604 30.316 1.00 0.00 WT6 H ATOM 54727 OH2 TIP3 8973 79.546 87.991 2.062 1.00 0.00 WT6 O ATOM 54728 H1 TIP3 8973 80.008 87.968 1.224 1.00 0.00 WT6 H ATOM 54729 H2 TIP3 8973 78.704 88.399 1.860 1.00 0.00 WT6 H ATOM 54730 OH2 TIP3 8977 45.930 92.921 46.431 1.00 0.00 WT6 O ATOM 54731 H1 TIP3 8977 46.719 92.534 46.051 1.00 0.00 WT6 H ATOM 54732 H2 TIP3 8977 45.774 92.414 47.228 1.00 0.00 WT6 H ATOM 54733 OH2 TIP3 8988 59.160 86.658 3.634 1.00 0.00 WT6 O ATOM 54734 H1 TIP3 8988 59.727 86.103 4.169 1.00 0.00 WT6 H ATOM 54735 H2 TIP3 8988 58.327 86.677 4.106 1.00 0.00 WT6 H ATOM 54736 OH2 TIP3 9035 78.345 52.887 42.751 1.00 0.00 WT6 O ATOM 54737 H1 TIP3 9035 77.465 52.514 42.700 1.00 0.00 WT6 H ATOM 54738 H2 TIP3 9035 78.238 53.686 43.268 1.00 0.00 WT6 H ATOM 54739 OH2 TIP3 9047 49.071 26.771 0.028 1.00 0.00 WT6 O ATOM 54740 H1 TIP3 9047 48.200 27.121 0.217 1.00 0.00 WT6 H ATOM 54741 H2 TIP3 9047 49.526 26.794 0.870 1.00 0.00 WT6 H ATOM 54742 OH2 TIP3 9055 43.829 12.984 -0.353 1.00 0.00 WT6 O ATOM 54743 H1 TIP3 9055 43.180 12.511 -0.874 1.00 0.00 WT6 H ATOM 54744 H2 TIP3 9055 43.385 13.790 -0.091 1.00 0.00 WT6 H ATOM 54745 OH2 TIP3 9073 35.059 6.386 52.162 1.00 0.00 WT6 O ATOM 54746 H1 TIP3 9073 35.921 6.321 52.574 1.00 0.00 WT6 H ATOM 54747 H2 TIP3 9073 35.175 5.986 51.300 1.00 0.00 WT6 H ATOM 54748 OH2 TIP3 9096 35.095 20.859 56.543 1.00 0.00 WT6 O ATOM 54749 H1 TIP3 9096 35.072 19.912 56.400 1.00 0.00 WT6 H ATOM 54750 H2 TIP3 9096 34.175 21.122 56.556 1.00 0.00 WT6 H ATOM 54751 OH2 TIP3 9097 52.856 19.812 43.447 1.00 0.00 WT6 O ATOM 54752 H1 TIP3 9097 51.923 19.876 43.647 1.00 0.00 WT6 H ATOM 54753 H2 TIP3 9097 53.192 19.168 44.070 1.00 0.00 WT6 H ATOM 54754 OH2 TIP3 9116 72.439 73.942 34.472 1.00 0.00 WT6 O ATOM 54755 H1 TIP3 9116 71.510 73.836 34.678 1.00 0.00 WT6 H ATOM 54756 H2 TIP3 9116 72.458 74.616 33.792 1.00 0.00 WT6 H ATOM 54757 OH2 TIP3 9124 49.748 77.236 66.891 1.00 0.00 WT6 O ATOM 54758 H1 TIP3 9124 50.648 76.962 66.716 1.00 0.00 WT6 H ATOM 54759 H2 TIP3 9124 49.225 76.447 66.748 1.00 0.00 WT6 H ATOM 54760 OH2 TIP3 9143 35.633 48.932 63.034 1.00 0.00 WT6 O ATOM 54761 H1 TIP3 9143 36.347 49.555 62.901 1.00 0.00 WT6 H ATOM 54762 H2 TIP3 9143 35.563 48.465 62.201 1.00 0.00 WT6 H ATOM 54763 OH2 TIP3 9144 69.264 43.325 6.034 1.00 0.00 WT6 O ATOM 54764 H1 TIP3 9144 69.088 43.086 6.944 1.00 0.00 WT6 H ATOM 54765 H2 TIP3 9144 68.403 43.524 5.667 1.00 0.00 WT6 H ATOM 54766 OH2 TIP3 9157 56.518 23.803 29.196 1.00 0.00 WT6 O ATOM 54767 H1 TIP3 9157 56.184 24.477 29.788 1.00 0.00 WT6 H ATOM 54768 H2 TIP3 9157 55.948 23.853 28.429 1.00 0.00 WT6 H ATOM 54769 OH2 TIP3 9158 35.396 58.471 54.005 1.00 0.00 WT6 O ATOM 54770 H1 TIP3 9158 35.775 59.349 53.969 1.00 0.00 WT6 H ATOM 54771 H2 TIP3 9158 34.546 58.593 54.428 1.00 0.00 WT6 H ATOM 54772 OH2 TIP3 9162 72.197 77.931 40.783 1.00 0.00 WT6 O ATOM 54773 H1 TIP3 9162 71.767 77.126 40.494 1.00 0.00 WT6 H ATOM 54774 H2 TIP3 9162 71.483 78.560 40.886 1.00 0.00 WT6 H ATOM 54775 OH2 TIP3 9183 23.142 58.404 -9.102 1.00 0.00 WT6 O ATOM 54776 H1 TIP3 9183 23.819 58.890 -8.631 1.00 0.00 WT6 H ATOM 54777 H2 TIP3 9183 23.263 58.652 -10.019 1.00 0.00 WT6 H ATOM 54778 OH2 TIP3 9184 62.426 43.594 -8.232 1.00 0.00 WT6 O ATOM 54779 H1 TIP3 9184 61.541 43.874 -8.001 1.00 0.00 WT6 H ATOM 54780 H2 TIP3 9184 62.661 42.957 -7.557 1.00 0.00 WT6 H ATOM 54781 OH2 TIP3 9198 81.913 25.511 -0.121 1.00 0.00 WT6 O ATOM 54782 H1 TIP3 9198 81.908 25.188 -1.022 1.00 0.00 WT6 H ATOM 54783 H2 TIP3 9198 81.389 26.312 -0.151 1.00 0.00 WT6 H ATOM 54784 OH2 TIP3 9223 64.330 34.478 36.800 1.00 0.00 WT6 O ATOM 54785 H1 TIP3 9223 65.271 34.320 36.878 1.00 0.00 WT6 H ATOM 54786 H2 TIP3 9223 64.062 33.961 36.040 1.00 0.00 WT6 H ATOM 54787 OH2 TIP3 9227 86.035 81.404 -10.497 1.00 0.00 WT6 O ATOM 54788 H1 TIP3 9227 86.921 81.743 -10.623 1.00 0.00 WT6 H ATOM 54789 H2 TIP3 9227 85.795 81.682 -9.613 1.00 0.00 WT6 H ATOM 54790 OH2 TIP3 9250 43.048 31.004 50.881 1.00 0.00 WT6 O ATOM 54791 H1 TIP3 9250 42.822 31.895 50.614 1.00 0.00 WT6 H ATOM 54792 H2 TIP3 9250 42.729 30.451 50.168 1.00 0.00 WT6 H ATOM 54793 OH2 TIP3 5 87.766 57.698 67.102 1.00 0.00 WT7 O ATOM 54794 H1 TIP3 5 88.441 57.866 66.445 1.00 0.00 WT7 H ATOM 54795 H2 TIP3 5 87.128 57.143 66.654 1.00 0.00 WT7 H ATOM 54796 OH2 TIP3 8 29.870 34.831 57.509 1.00 0.00 WT7 O ATOM 54797 H1 TIP3 8 30.111 35.313 58.301 1.00 0.00 WT7 H ATOM 54798 H2 TIP3 8 30.004 33.911 57.738 1.00 0.00 WT7 H ATOM 54799 OH2 TIP3 15 45.654 73.697 -10.550 1.00 0.00 WT7 O ATOM 54800 H1 TIP3 15 45.531 73.739 -11.498 1.00 0.00 WT7 H ATOM 54801 H2 TIP3 15 45.588 72.765 -10.340 1.00 0.00 WT7 H ATOM 54802 OH2 TIP3 19 75.308 37.710 48.708 1.00 0.00 WT7 O ATOM 54803 H1 TIP3 19 75.547 36.797 48.867 1.00 0.00 WT7 H ATOM 54804 H2 TIP3 19 74.465 37.662 48.258 1.00 0.00 WT7 H ATOM 54805 OH2 TIP3 37 59.974 55.666 55.308 1.00 0.00 WT7 O ATOM 54806 H1 TIP3 37 59.529 56.325 54.777 1.00 0.00 WT7 H ATOM 54807 H2 TIP3 37 59.885 55.981 56.208 1.00 0.00 WT7 H ATOM 54808 OH2 TIP3 42 89.153 67.871 28.414 1.00 0.00 WT7 O ATOM 54809 H1 TIP3 42 89.564 68.132 27.590 1.00 0.00 WT7 H ATOM 54810 H2 TIP3 42 88.468 68.524 28.557 1.00 0.00 WT7 H ATOM 54811 OH2 TIP3 44 36.327 41.866 48.878 1.00 0.00 WT7 O ATOM 54812 H1 TIP3 44 36.613 41.688 47.982 1.00 0.00 WT7 H ATOM 54813 H2 TIP3 44 37.134 42.070 49.351 1.00 0.00 WT7 H ATOM 54814 OH2 TIP3 48 68.868 83.166 -1.068 1.00 0.00 WT7 O ATOM 54815 H1 TIP3 48 68.789 82.410 -1.649 1.00 0.00 WT7 H ATOM 54816 H2 TIP3 48 69.745 83.509 -1.239 1.00 0.00 WT7 H ATOM 54817 OH2 TIP3 52 69.480 40.887 -14.497 1.00 0.00 WT7 O ATOM 54818 H1 TIP3 52 68.860 41.365 -15.047 1.00 0.00 WT7 H ATOM 54819 H2 TIP3 52 69.845 41.551 -13.913 1.00 0.00 WT7 H ATOM 54820 OH2 TIP3 53 24.799 94.334 -0.358 1.00 0.00 WT7 O ATOM 54821 H1 TIP3 53 24.360 95.140 -0.085 1.00 0.00 WT7 H ATOM 54822 H2 TIP3 53 24.633 94.277 -1.299 1.00 0.00 WT7 H ATOM 54823 OH2 TIP3 55 35.365 2.194 -4.064 1.00 0.00 WT7 O ATOM 54824 H1 TIP3 55 35.995 1.541 -4.370 1.00 0.00 WT7 H ATOM 54825 H2 TIP3 55 34.887 2.454 -4.851 1.00 0.00 WT7 H ATOM 54826 OH2 TIP3 61 34.711 86.272 25.191 1.00 0.00 WT7 O ATOM 54827 H1 TIP3 61 34.504 85.977 26.078 1.00 0.00 WT7 H ATOM 54828 H2 TIP3 61 34.009 85.912 24.649 1.00 0.00 WT7 H ATOM 54829 OH2 TIP3 67 22.727 57.047 48.907 1.00 0.00 WT7 O ATOM 54830 H1 TIP3 67 22.904 56.333 49.519 1.00 0.00 WT7 H ATOM 54831 H2 TIP3 67 22.607 57.816 49.465 1.00 0.00 WT7 H ATOM 54832 OH2 TIP3 78 48.861 44.679 53.782 1.00 0.00 WT7 O ATOM 54833 H1 TIP3 78 49.278 45.146 53.058 1.00 0.00 WT7 H ATOM 54834 H2 TIP3 78 48.562 45.371 54.373 1.00 0.00 WT7 H ATOM 54835 OH2 TIP3 87 80.595 76.531 59.666 1.00 0.00 WT7 O ATOM 54836 H1 TIP3 87 80.811 77.037 58.883 1.00 0.00 WT7 H ATOM 54837 H2 TIP3 87 81.385 76.022 59.849 1.00 0.00 WT7 H ATOM 54838 OH2 TIP3 94 55.682 84.392 -16.728 1.00 0.00 WT7 O ATOM 54839 H1 TIP3 94 56.104 84.158 -17.555 1.00 0.00 WT7 H ATOM 54840 H2 TIP3 94 55.217 83.598 -16.463 1.00 0.00 WT7 H ATOM 54841 OH2 TIP3 95 49.779 4.104 6.322 1.00 0.00 WT7 O ATOM 54842 H1 TIP3 95 48.960 3.879 5.880 1.00 0.00 WT7 H ATOM 54843 H2 TIP3 95 49.872 3.441 7.006 1.00 0.00 WT7 H ATOM 54844 OH2 TIP3 113 80.331 44.256 33.030 1.00 0.00 WT7 O ATOM 54845 H1 TIP3 113 79.779 43.478 33.110 1.00 0.00 WT7 H ATOM 54846 H2 TIP3 113 79.896 44.792 32.367 1.00 0.00 WT7 H ATOM 54847 OH2 TIP3 115 44.860 45.567 3.534 1.00 0.00 WT7 O ATOM 54848 H1 TIP3 115 44.276 45.899 4.217 1.00 0.00 WT7 H ATOM 54849 H2 TIP3 115 45.033 46.326 2.977 1.00 0.00 WT7 H ATOM 54850 OH2 TIP3 122 36.056 39.201 19.536 1.00 0.00 WT7 O ATOM 54851 H1 TIP3 122 36.590 39.009 20.307 1.00 0.00 WT7 H ATOM 54852 H2 TIP3 122 36.683 39.505 18.879 1.00 0.00 WT7 H ATOM 54853 OH2 TIP3 128 69.600 29.303 -5.632 1.00 0.00 WT7 O ATOM 54854 H1 TIP3 128 70.417 28.931 -5.301 1.00 0.00 WT7 H ATOM 54855 H2 TIP3 128 69.432 30.056 -5.066 1.00 0.00 WT7 H ATOM 54856 OH2 TIP3 135 71.619 88.411 -7.955 1.00 0.00 WT7 O ATOM 54857 H1 TIP3 135 71.257 88.972 -8.641 1.00 0.00 WT7 H ATOM 54858 H2 TIP3 135 71.011 88.504 -7.222 1.00 0.00 WT7 H ATOM 54859 OH2 TIP3 137 80.138 81.073 39.722 1.00 0.00 WT7 O ATOM 54860 H1 TIP3 137 79.597 81.543 40.356 1.00 0.00 WT7 H ATOM 54861 H2 TIP3 137 79.618 81.069 38.918 1.00 0.00 WT7 H ATOM 54862 OH2 TIP3 149 40.611 69.903 -14.982 1.00 0.00 WT7 O ATOM 54863 H1 TIP3 149 41.111 69.384 -15.612 1.00 0.00 WT7 H ATOM 54864 H2 TIP3 149 40.309 69.267 -14.334 1.00 0.00 WT7 H ATOM 54865 OH2 TIP3 150 70.684 6.592 -0.813 1.00 0.00 WT7 O ATOM 54866 H1 TIP3 150 70.017 7.268 -0.689 1.00 0.00 WT7 H ATOM 54867 H2 TIP3 150 71.248 6.669 -0.044 1.00 0.00 WT7 H ATOM 54868 OH2 TIP3 153 44.518 65.844 -4.847 1.00 0.00 WT7 O ATOM 54869 H1 TIP3 153 44.234 64.966 -4.594 1.00 0.00 WT7 H ATOM 54870 H2 TIP3 153 44.809 66.248 -4.029 1.00 0.00 WT7 H ATOM 54871 OH2 TIP3 155 45.720 61.191 5.230 1.00 0.00 WT7 O ATOM 54872 H1 TIP3 155 46.020 61.040 6.127 1.00 0.00 WT7 H ATOM 54873 H2 TIP3 155 46.517 61.163 4.702 1.00 0.00 WT7 H ATOM 54874 OH2 TIP3 165 36.443 46.988 16.696 1.00 0.00 WT7 O ATOM 54875 H1 TIP3 165 36.941 46.645 17.439 1.00 0.00 WT7 H ATOM 54876 H2 TIP3 165 37.092 47.093 16.000 1.00 0.00 WT7 H ATOM 54877 OH2 TIP3 167 49.034 94.932 -5.077 1.00 0.00 WT7 O ATOM 54878 H1 TIP3 167 48.850 94.061 -4.725 1.00 0.00 WT7 H ATOM 54879 H2 TIP3 167 48.314 95.476 -4.759 1.00 0.00 WT7 H ATOM 54880 OH2 TIP3 175 77.522 43.549 19.074 1.00 0.00 WT7 O ATOM 54881 H1 TIP3 175 78.465 43.388 19.032 1.00 0.00 WT7 H ATOM 54882 H2 TIP3 175 77.238 43.101 19.870 1.00 0.00 WT7 H ATOM 54883 OH2 TIP3 177 31.606 77.792 6.781 1.00 0.00 WT7 O ATOM 54884 H1 TIP3 177 31.785 78.063 7.681 1.00 0.00 WT7 H ATOM 54885 H2 TIP3 177 32.349 78.123 6.278 1.00 0.00 WT7 H ATOM 54886 OH2 TIP3 201 46.129 92.250 55.988 1.00 0.00 WT7 O ATOM 54887 H1 TIP3 201 46.130 92.370 55.038 1.00 0.00 WT7 H ATOM 54888 H2 TIP3 201 45.216 92.057 56.204 1.00 0.00 WT7 H ATOM 54889 OH2 TIP3 225 24.012 68.713 21.925 1.00 0.00 WT7 O ATOM 54890 H1 TIP3 225 24.232 68.471 21.025 1.00 0.00 WT7 H ATOM 54891 H2 TIP3 225 24.511 68.101 22.467 1.00 0.00 WT7 H ATOM 54892 OH2 TIP3 234 30.778 38.879 41.231 1.00 0.00 WT7 O ATOM 54893 H1 TIP3 234 30.481 39.740 41.524 1.00 0.00 WT7 H ATOM 54894 H2 TIP3 234 31.585 39.055 40.746 1.00 0.00 WT7 H ATOM 54895 OH2 TIP3 237 90.134 3.481 0.600 1.00 0.00 WT7 O ATOM 54896 H1 TIP3 237 90.641 2.716 0.871 1.00 0.00 WT7 H ATOM 54897 H2 TIP3 237 90.606 3.826 -0.158 1.00 0.00 WT7 H ATOM 54898 OH2 TIP3 261 23.076 31.968 -6.168 1.00 0.00 WT7 O ATOM 54899 H1 TIP3 261 22.890 32.778 -5.692 1.00 0.00 WT7 H ATOM 54900 H2 TIP3 261 22.769 32.138 -7.059 1.00 0.00 WT7 H ATOM 54901 OH2 TIP3 268 27.058 86.851 19.352 1.00 0.00 WT7 O ATOM 54902 H1 TIP3 268 27.952 86.533 19.226 1.00 0.00 WT7 H ATOM 54903 H2 TIP3 268 26.615 86.653 18.526 1.00 0.00 WT7 H ATOM 54904 OH2 TIP3 313 67.523 33.929 67.004 1.00 0.00 WT7 O ATOM 54905 H1 TIP3 313 67.872 34.220 67.847 1.00 0.00 WT7 H ATOM 54906 H2 TIP3 313 66.778 33.373 67.232 1.00 0.00 WT7 H ATOM 54907 OH2 TIP3 379 48.598 11.627 5.859 1.00 0.00 WT7 O ATOM 54908 H1 TIP3 379 48.368 11.388 6.757 1.00 0.00 WT7 H ATOM 54909 H2 TIP3 379 49.101 10.881 5.534 1.00 0.00 WT7 H ATOM 54910 OH2 TIP3 400 44.003 55.432 61.738 1.00 0.00 WT7 O ATOM 54911 H1 TIP3 400 43.582 55.364 62.595 1.00 0.00 WT7 H ATOM 54912 H2 TIP3 400 44.779 55.970 61.893 1.00 0.00 WT7 H ATOM 54913 OH2 TIP3 417 59.961 66.410 47.630 1.00 0.00 WT7 O ATOM 54914 H1 TIP3 417 59.176 65.986 47.284 1.00 0.00 WT7 H ATOM 54915 H2 TIP3 417 60.438 66.702 46.852 1.00 0.00 WT7 H ATOM 54916 OH2 TIP3 449 89.951 25.381 -13.933 1.00 0.00 WT7 O ATOM 54917 H1 TIP3 449 89.252 25.745 -13.389 1.00 0.00 WT7 H ATOM 54918 H2 TIP3 449 90.574 25.011 -13.308 1.00 0.00 WT7 H ATOM 54919 OH2 TIP3 462 80.700 66.333 28.952 1.00 0.00 WT7 O ATOM 54920 H1 TIP3 462 80.454 65.468 29.280 1.00 0.00 WT7 H ATOM 54921 H2 TIP3 462 80.139 66.940 29.436 1.00 0.00 WT7 H ATOM 54922 OH2 TIP3 463 21.763 76.067 -8.501 1.00 0.00 WT7 O ATOM 54923 H1 TIP3 463 22.484 76.680 -8.645 1.00 0.00 WT7 H ATOM 54924 H2 TIP3 463 21.457 75.845 -9.380 1.00 0.00 WT7 H ATOM 54925 OH2 TIP3 485 64.323 90.932 -9.596 1.00 0.00 WT7 O ATOM 54926 H1 TIP3 485 64.186 91.826 -9.909 1.00 0.00 WT7 H ATOM 54927 H2 TIP3 485 63.443 90.560 -9.538 1.00 0.00 WT7 H ATOM 54928 OH2 TIP3 486 44.276 47.838 -16.519 1.00 0.00 WT7 O ATOM 54929 H1 TIP3 486 44.325 46.954 -16.885 1.00 0.00 WT7 H ATOM 54930 H2 TIP3 486 45.017 47.888 -15.915 1.00 0.00 WT7 H ATOM 54931 OH2 TIP3 489 58.658 80.476 24.638 1.00 0.00 WT7 O ATOM 54932 H1 TIP3 489 58.339 79.649 25.000 1.00 0.00 WT7 H ATOM 54933 H2 TIP3 489 59.021 80.240 23.784 1.00 0.00 WT7 H ATOM 54934 OH2 TIP3 490 77.024 77.881 37.795 1.00 0.00 WT7 O ATOM 54935 H1 TIP3 490 76.952 76.928 37.742 1.00 0.00 WT7 H ATOM 54936 H2 TIP3 490 77.434 78.044 38.644 1.00 0.00 WT7 H ATOM 54937 OH2 TIP3 491 79.852 52.168 1.380 1.00 0.00 WT7 O ATOM 54938 H1 TIP3 491 80.320 52.422 2.176 1.00 0.00 WT7 H ATOM 54939 H2 TIP3 491 79.014 51.828 1.693 1.00 0.00 WT7 H ATOM 54940 OH2 TIP3 494 78.390 80.536 14.524 1.00 0.00 WT7 O ATOM 54941 H1 TIP3 494 78.751 79.856 13.955 1.00 0.00 WT7 H ATOM 54942 H2 TIP3 494 78.820 80.397 15.367 1.00 0.00 WT7 H ATOM 54943 OH2 TIP3 501 47.048 96.147 21.250 1.00 0.00 WT7 O ATOM 54944 H1 TIP3 501 47.028 97.029 20.877 1.00 0.00 WT7 H ATOM 54945 H2 TIP3 501 46.423 96.179 21.975 1.00 0.00 WT7 H ATOM 54946 OH2 TIP3 502 24.339 51.108 45.928 1.00 0.00 WT7 O ATOM 54947 H1 TIP3 502 24.398 50.287 46.416 1.00 0.00 WT7 H ATOM 54948 H2 TIP3 502 24.351 50.843 45.009 1.00 0.00 WT7 H ATOM 54949 OH2 TIP3 503 24.094 34.772 17.109 1.00 0.00 WT7 O ATOM 54950 H1 TIP3 503 24.631 34.543 17.868 1.00 0.00 WT7 H ATOM 54951 H2 TIP3 503 23.954 35.715 17.191 1.00 0.00 WT7 H ATOM 54952 OH2 TIP3 506 56.938 39.535 53.926 1.00 0.00 WT7 O ATOM 54953 H1 TIP3 506 56.500 40.349 53.677 1.00 0.00 WT7 H ATOM 54954 H2 TIP3 506 56.333 38.844 53.657 1.00 0.00 WT7 H ATOM 54955 OH2 TIP3 509 29.186 25.123 -10.968 1.00 0.00 WT7 O ATOM 54956 H1 TIP3 509 28.772 24.264 -10.881 1.00 0.00 WT7 H ATOM 54957 H2 TIP3 509 29.651 25.250 -10.141 1.00 0.00 WT7 H ATOM 54958 OH2 TIP3 511 70.925 11.945 -0.791 1.00 0.00 WT7 O ATOM 54959 H1 TIP3 511 70.342 12.454 -0.228 1.00 0.00 WT7 H ATOM 54960 H2 TIP3 511 70.802 11.039 -0.506 1.00 0.00 WT7 H ATOM 54961 OH2 TIP3 515 30.718 72.531 -14.978 1.00 0.00 WT7 O ATOM 54962 H1 TIP3 515 31.424 73.165 -15.101 1.00 0.00 WT7 H ATOM 54963 H2 TIP3 515 31.158 71.740 -14.667 1.00 0.00 WT7 H ATOM 54964 OH2 TIP3 516 30.634 48.347 24.264 1.00 0.00 WT7 O ATOM 54965 H1 TIP3 516 30.034 48.222 24.999 1.00 0.00 WT7 H ATOM 54966 H2 TIP3 516 31.355 48.861 24.627 1.00 0.00 WT7 H ATOM 54967 OH2 TIP3 520 67.036 58.152 61.798 1.00 0.00 WT7 O ATOM 54968 H1 TIP3 520 67.410 58.883 61.308 1.00 0.00 WT7 H ATOM 54969 H2 TIP3 520 67.078 57.411 61.194 1.00 0.00 WT7 H ATOM 54970 OH2 TIP3 526 69.402 0.085 -16.752 1.00 0.00 WT7 O ATOM 54971 H1 TIP3 526 69.546 0.311 -15.834 1.00 0.00 WT7 H ATOM 54972 H2 TIP3 526 69.617 0.884 -17.233 1.00 0.00 WT7 H ATOM 54973 OH2 TIP3 540 63.856 42.331 -13.142 1.00 0.00 WT7 O ATOM 54974 H1 TIP3 540 62.964 42.101 -12.882 1.00 0.00 WT7 H ATOM 54975 H2 TIP3 540 64.053 41.743 -13.871 1.00 0.00 WT7 H ATOM 54976 OH2 TIP3 541 79.389 90.914 -15.351 1.00 0.00 WT7 O ATOM 54977 H1 TIP3 541 80.050 90.232 -15.232 1.00 0.00 WT7 H ATOM 54978 H2 TIP3 541 79.787 91.702 -14.980 1.00 0.00 WT7 H ATOM 54979 OH2 TIP3 548 70.743 78.001 -10.557 1.00 0.00 WT7 O ATOM 54980 H1 TIP3 548 70.359 78.867 -10.418 1.00 0.00 WT7 H ATOM 54981 H2 TIP3 548 70.449 77.485 -9.807 1.00 0.00 WT7 H ATOM 54982 OH2 TIP3 550 25.428 44.148 -2.466 1.00 0.00 WT7 O ATOM 54983 H1 TIP3 550 25.121 43.924 -1.587 1.00 0.00 WT7 H ATOM 54984 H2 TIP3 550 24.635 44.399 -2.940 1.00 0.00 WT7 H ATOM 54985 OH2 TIP3 551 87.994 76.827 61.959 1.00 0.00 WT7 O ATOM 54986 H1 TIP3 551 87.491 76.413 62.660 1.00 0.00 WT7 H ATOM 54987 H2 TIP3 551 88.716 76.222 61.792 1.00 0.00 WT7 H ATOM 54988 OH2 TIP3 555 65.415 46.519 28.007 1.00 0.00 WT7 O ATOM 54989 H1 TIP3 555 65.190 47.440 28.135 1.00 0.00 WT7 H ATOM 54990 H2 TIP3 555 64.928 46.056 28.689 1.00 0.00 WT7 H ATOM 54991 OH2 TIP3 556 29.809 77.385 -13.650 1.00 0.00 WT7 O ATOM 54992 H1 TIP3 556 29.757 77.933 -12.868 1.00 0.00 WT7 H ATOM 54993 H2 TIP3 556 30.086 76.528 -13.325 1.00 0.00 WT7 H ATOM 54994 OH2 TIP3 562 63.960 10.058 63.338 1.00 0.00 WT7 O ATOM 54995 H1 TIP3 562 63.800 9.417 64.031 1.00 0.00 WT7 H ATOM 54996 H2 TIP3 562 64.711 10.564 63.647 1.00 0.00 WT7 H ATOM 54997 OH2 TIP3 564 84.520 62.388 38.449 1.00 0.00 WT7 O ATOM 54998 H1 TIP3 564 83.629 62.668 38.243 1.00 0.00 WT7 H ATOM 54999 H2 TIP3 564 84.747 61.775 37.749 1.00 0.00 WT7 H ATOM 55000 OH2 TIP3 573 37.473 3.787 -3.130 1.00 0.00 WT7 O ATOM 55001 H1 TIP3 573 36.585 3.440 -3.224 1.00 0.00 WT7 H ATOM 55002 H2 TIP3 573 38.027 3.010 -3.058 1.00 0.00 WT7 H ATOM 55003 OH2 TIP3 575 75.971 78.735 29.266 1.00 0.00 WT7 O ATOM 55004 H1 TIP3 575 76.364 77.978 29.701 1.00 0.00 WT7 H ATOM 55005 H2 TIP3 575 75.034 78.542 29.248 1.00 0.00 WT7 H ATOM 55006 OH2 TIP3 576 58.427 1.942 34.823 1.00 0.00 WT7 O ATOM 55007 H1 TIP3 576 57.549 1.559 34.820 1.00 0.00 WT7 H ATOM 55008 H2 TIP3 576 58.865 1.543 34.071 1.00 0.00 WT7 H ATOM 55009 OH2 TIP3 578 57.784 0.798 20.994 1.00 0.00 WT7 O ATOM 55010 H1 TIP3 578 58.627 1.247 20.918 1.00 0.00 WT7 H ATOM 55011 H2 TIP3 578 57.195 1.456 21.363 1.00 0.00 WT7 H ATOM 55012 OH2 TIP3 584 45.454 68.231 0.014 1.00 0.00 WT7 O ATOM 55013 H1 TIP3 584 45.805 69.060 0.340 1.00 0.00 WT7 H ATOM 55014 H2 TIP3 584 45.936 67.560 0.498 1.00 0.00 WT7 H ATOM 55015 OH2 TIP3 586 55.848 89.532 -3.342 1.00 0.00 WT7 O ATOM 55016 H1 TIP3 586 55.935 90.357 -3.821 1.00 0.00 WT7 H ATOM 55017 H2 TIP3 586 55.526 89.789 -2.478 1.00 0.00 WT7 H ATOM 55018 OH2 TIP3 591 23.454 39.070 1.682 1.00 0.00 WT7 O ATOM 55019 H1 TIP3 591 23.672 38.173 1.936 1.00 0.00 WT7 H ATOM 55020 H2 TIP3 591 24.285 39.447 1.394 1.00 0.00 WT7 H ATOM 55021 OH2 TIP3 593 70.411 88.374 14.274 1.00 0.00 WT7 O ATOM 55022 H1 TIP3 593 71.054 88.131 13.607 1.00 0.00 WT7 H ATOM 55023 H2 TIP3 593 70.196 89.286 14.079 1.00 0.00 WT7 H ATOM 55024 OH2 TIP3 594 28.904 41.906 38.582 1.00 0.00 WT7 O ATOM 55025 H1 TIP3 594 29.196 42.579 39.197 1.00 0.00 WT7 H ATOM 55026 H2 TIP3 594 28.035 42.196 38.304 1.00 0.00 WT7 H ATOM 55027 OH2 TIP3 599 47.809 49.507 60.980 1.00 0.00 WT7 O ATOM 55028 H1 TIP3 599 46.915 49.814 61.130 1.00 0.00 WT7 H ATOM 55029 H2 TIP3 599 47.720 48.821 60.319 1.00 0.00 WT7 H ATOM 55030 OH2 TIP3 602 63.369 65.845 55.362 1.00 0.00 WT7 O ATOM 55031 H1 TIP3 602 62.906 66.217 54.611 1.00 0.00 WT7 H ATOM 55032 H2 TIP3 602 64.276 65.762 55.068 1.00 0.00 WT7 H ATOM 55033 OH2 TIP3 606 29.209 58.030 3.244 1.00 0.00 WT7 O ATOM 55034 H1 TIP3 606 29.864 57.497 3.696 1.00 0.00 WT7 H ATOM 55035 H2 TIP3 606 28.445 58.009 3.820 1.00 0.00 WT7 H ATOM 55036 OH2 TIP3 626 20.743 63.781 -19.503 1.00 0.00 WT7 O ATOM 55037 H1 TIP3 626 20.226 64.553 -19.271 1.00 0.00 WT7 H ATOM 55038 H2 TIP3 626 21.580 64.134 -19.804 1.00 0.00 WT7 H ATOM 55039 OH2 TIP3 638 22.526 19.611 -8.374 1.00 0.00 WT7 O ATOM 55040 H1 TIP3 638 21.923 20.117 -7.829 1.00 0.00 WT7 H ATOM 55041 H2 TIP3 638 23.075 19.138 -7.749 1.00 0.00 WT7 H ATOM 55042 OH2 TIP3 639 81.029 48.311 10.088 1.00 0.00 WT7 O ATOM 55043 H1 TIP3 639 80.963 49.076 9.516 1.00 0.00 WT7 H ATOM 55044 H2 TIP3 639 81.767 48.506 10.666 1.00 0.00 WT7 H ATOM 55045 OH2 TIP3 649 42.879 86.608 28.531 1.00 0.00 WT7 O ATOM 55046 H1 TIP3 649 43.664 87.154 28.486 1.00 0.00 WT7 H ATOM 55047 H2 TIP3 649 42.339 87.020 29.206 1.00 0.00 WT7 H ATOM 55048 OH2 TIP3 650 75.522 1.028 55.155 1.00 0.00 WT7 O ATOM 55049 H1 TIP3 650 75.471 1.504 54.326 1.00 0.00 WT7 H ATOM 55050 H2 TIP3 650 75.546 1.713 55.823 1.00 0.00 WT7 H ATOM 55051 OH2 TIP3 662 46.347 57.253 -9.606 1.00 0.00 WT7 O ATOM 55052 H1 TIP3 662 45.565 57.103 -9.075 1.00 0.00 WT7 H ATOM 55053 H2 TIP3 662 47.040 57.427 -8.969 1.00 0.00 WT7 H ATOM 55054 OH2 TIP3 666 44.896 27.606 66.160 1.00 0.00 WT7 O ATOM 55055 H1 TIP3 666 45.342 26.881 66.598 1.00 0.00 WT7 H ATOM 55056 H2 TIP3 666 45.140 28.380 66.668 1.00 0.00 WT7 H ATOM 55057 OH2 TIP3 668 23.819 67.699 64.179 1.00 0.00 WT7 O ATOM 55058 H1 TIP3 668 24.430 67.872 63.462 1.00 0.00 WT7 H ATOM 55059 H2 TIP3 668 23.743 66.746 64.204 1.00 0.00 WT7 H ATOM 55060 OH2 TIP3 711 84.533 94.322 -4.612 1.00 0.00 WT7 O ATOM 55061 H1 TIP3 711 83.577 94.366 -4.618 1.00 0.00 WT7 H ATOM 55062 H2 TIP3 711 84.777 94.273 -5.536 1.00 0.00 WT7 H ATOM 55063 OH2 TIP3 822 73.777 64.703 14.249 1.00 0.00 WT7 O ATOM 55064 H1 TIP3 822 73.048 64.543 13.649 1.00 0.00 WT7 H ATOM 55065 H2 TIP3 822 73.528 64.250 15.055 1.00 0.00 WT7 H ATOM 55066 OH2 TIP3 836 48.164 2.671 48.154 1.00 0.00 WT7 O ATOM 55067 H1 TIP3 836 47.405 2.146 48.409 1.00 0.00 WT7 H ATOM 55068 H2 TIP3 836 48.558 2.187 47.429 1.00 0.00 WT7 H ATOM 55069 OH2 TIP3 852 41.175 60.413 57.101 1.00 0.00 WT7 O ATOM 55070 H1 TIP3 852 40.831 60.818 56.305 1.00 0.00 WT7 H ATOM 55071 H2 TIP3 852 42.104 60.275 56.918 1.00 0.00 WT7 H ATOM 55072 OH2 TIP3 854 63.521 0.224 26.615 1.00 0.00 WT7 O ATOM 55073 H1 TIP3 854 63.012 -0.573 26.766 1.00 0.00 WT7 H ATOM 55074 H2 TIP3 854 62.908 0.937 26.793 1.00 0.00 WT7 H ATOM 55075 OH2 TIP3 860 47.613 73.167 32.608 1.00 0.00 WT7 O ATOM 55076 H1 TIP3 860 47.435 74.033 32.975 1.00 0.00 WT7 H ATOM 55077 H2 TIP3 860 48.411 72.878 33.050 1.00 0.00 WT7 H ATOM 55078 OH2 TIP3 889 77.504 79.547 -3.831 1.00 0.00 WT7 O ATOM 55079 H1 TIP3 889 78.069 80.015 -3.216 1.00 0.00 WT7 H ATOM 55080 H2 TIP3 889 78.086 79.298 -4.549 1.00 0.00 WT7 H ATOM 55081 OH2 TIP3 892 30.514 10.473 -6.449 1.00 0.00 WT7 O ATOM 55082 H1 TIP3 892 30.885 10.749 -7.287 1.00 0.00 WT7 H ATOM 55083 H2 TIP3 892 29.672 10.080 -6.678 1.00 0.00 WT7 H ATOM 55084 OH2 TIP3 895 31.656 85.684 29.763 1.00 0.00 WT7 O ATOM 55085 H1 TIP3 895 31.334 85.093 30.444 1.00 0.00 WT7 H ATOM 55086 H2 TIP3 895 32.598 85.739 29.919 1.00 0.00 WT7 H ATOM 55087 OH2 TIP3 908 47.201 67.708 -18.040 1.00 0.00 WT7 O ATOM 55088 H1 TIP3 908 46.762 67.667 -17.191 1.00 0.00 WT7 H ATOM 55089 H2 TIP3 908 47.987 67.173 -17.931 1.00 0.00 WT7 H ATOM 55090 OH2 TIP3 919 69.046 88.960 30.704 1.00 0.00 WT7 O ATOM 55091 H1 TIP3 919 69.516 89.165 29.896 1.00 0.00 WT7 H ATOM 55092 H2 TIP3 919 68.593 89.772 30.932 1.00 0.00 WT7 H ATOM 55093 OH2 TIP3 928 74.102 58.746 -17.275 1.00 0.00 WT7 O ATOM 55094 H1 TIP3 928 73.632 59.340 -16.689 1.00 0.00 WT7 H ATOM 55095 H2 TIP3 928 74.682 58.249 -16.699 1.00 0.00 WT7 H ATOM 55096 OH2 TIP3 930 20.582 93.392 -10.060 1.00 0.00 WT7 O ATOM 55097 H1 TIP3 930 21.158 93.510 -9.305 1.00 0.00 WT7 H ATOM 55098 H2 TIP3 930 19.823 92.925 -9.712 1.00 0.00 WT7 H ATOM 55099 OH2 TIP3 933 77.927 56.983 15.500 1.00 0.00 WT7 O ATOM 55100 H1 TIP3 933 77.943 56.539 16.348 1.00 0.00 WT7 H ATOM 55101 H2 TIP3 933 77.484 57.813 15.672 1.00 0.00 WT7 H ATOM 55102 OH2 TIP3 936 38.731 86.604 9.484 1.00 0.00 WT7 O ATOM 55103 H1 TIP3 936 38.169 85.916 9.128 1.00 0.00 WT7 H ATOM 55104 H2 TIP3 936 39.456 86.133 9.895 1.00 0.00 WT7 H ATOM 55105 OH2 TIP3 940 54.369 0.895 17.920 1.00 0.00 WT7 O ATOM 55106 H1 TIP3 940 54.569 1.416 18.697 1.00 0.00 WT7 H ATOM 55107 H2 TIP3 940 55.223 0.720 17.523 1.00 0.00 WT7 H ATOM 55108 OH2 TIP3 944 65.870 17.381 40.691 1.00 0.00 WT7 O ATOM 55109 H1 TIP3 944 65.834 16.443 40.502 1.00 0.00 WT7 H ATOM 55110 H2 TIP3 944 65.751 17.802 39.840 1.00 0.00 WT7 H ATOM 55111 OH2 TIP3 954 23.855 5.176 6.828 1.00 0.00 WT7 O ATOM 55112 H1 TIP3 954 24.282 4.370 7.117 1.00 0.00 WT7 H ATOM 55113 H2 TIP3 954 23.277 5.416 7.552 1.00 0.00 WT7 H ATOM 55114 OH2 TIP3 958 41.185 69.308 26.771 1.00 0.00 WT7 O ATOM 55115 H1 TIP3 958 40.788 69.073 25.932 1.00 0.00 WT7 H ATOM 55116 H2 TIP3 958 41.972 69.798 26.535 1.00 0.00 WT7 H ATOM 55117 OH2 TIP3 960 59.079 60.153 33.369 1.00 0.00 WT7 O ATOM 55118 H1 TIP3 960 58.304 59.595 33.435 1.00 0.00 WT7 H ATOM 55119 H2 TIP3 960 58.819 60.856 32.773 1.00 0.00 WT7 H ATOM 55120 OH2 TIP3 978 57.811 23.747 19.959 1.00 0.00 WT7 O ATOM 55121 H1 TIP3 978 57.023 23.864 20.488 1.00 0.00 WT7 H ATOM 55122 H2 TIP3 978 58.220 24.613 19.941 1.00 0.00 WT7 H ATOM 55123 OH2 TIP3 981 89.419 51.344 33.054 1.00 0.00 WT7 O ATOM 55124 H1 TIP3 981 88.735 50.676 33.103 1.00 0.00 WT7 H ATOM 55125 H2 TIP3 981 89.657 51.377 32.128 1.00 0.00 WT7 H ATOM 55126 OH2 TIP3 982 45.044 47.747 47.459 1.00 0.00 WT7 O ATOM 55127 H1 TIP3 982 45.269 48.314 46.722 1.00 0.00 WT7 H ATOM 55128 H2 TIP3 982 44.749 46.931 47.054 1.00 0.00 WT7 H ATOM 55129 OH2 TIP3 983 86.959 82.592 49.022 1.00 0.00 WT7 O ATOM 55130 H1 TIP3 983 87.098 83.232 49.720 1.00 0.00 WT7 H ATOM 55131 H2 TIP3 983 86.206 82.927 48.536 1.00 0.00 WT7 H ATOM 55132 OH2 TIP3 986 42.726 92.531 28.393 1.00 0.00 WT7 O ATOM 55133 H1 TIP3 986 42.805 93.293 28.967 1.00 0.00 WT7 H ATOM 55134 H2 TIP3 986 42.221 92.847 27.644 1.00 0.00 WT7 H ATOM 55135 OH2 TIP3 993 32.803 11.756 35.823 1.00 0.00 WT7 O ATOM 55136 H1 TIP3 993 33.394 12.016 35.116 1.00 0.00 WT7 H ATOM 55137 H2 TIP3 993 32.107 11.267 35.385 1.00 0.00 WT7 H ATOM 55138 OH2 TIP3 999 59.457 9.614 9.050 1.00 0.00 WT7 O ATOM 55139 H1 TIP3 999 60.259 9.092 9.067 1.00 0.00 WT7 H ATOM 55140 H2 TIP3 999 59.201 9.690 9.969 1.00 0.00 WT7 H ATOM 55141 OH2 TIP3 1013 73.593 15.275 -11.152 1.00 0.00 WT7 O ATOM 55142 H1 TIP3 1013 73.343 15.426 -10.241 1.00 0.00 WT7 H ATOM 55143 H2 TIP3 1013 73.430 14.343 -11.295 1.00 0.00 WT7 H ATOM 55144 OH2 TIP3 1018 28.176 5.359 11.561 1.00 0.00 WT7 O ATOM 55145 H1 TIP3 1018 28.785 5.003 12.208 1.00 0.00 WT7 H ATOM 55146 H2 TIP3 1018 28.361 6.299 11.550 1.00 0.00 WT7 H ATOM 55147 OH2 TIP3 1019 65.735 52.456 16.418 1.00 0.00 WT7 O ATOM 55148 H1 TIP3 1019 65.701 51.501 16.361 1.00 0.00 WT7 H ATOM 55149 H2 TIP3 1019 65.008 52.756 15.874 1.00 0.00 WT7 H ATOM 55150 OH2 TIP3 1024 56.251 82.855 2.994 1.00 0.00 WT7 O ATOM 55151 H1 TIP3 1024 55.574 83.527 3.073 1.00 0.00 WT7 H ATOM 55152 H2 TIP3 1024 56.270 82.432 3.852 1.00 0.00 WT7 H ATOM 55153 OH2 TIP3 1025 75.572 19.626 53.072 1.00 0.00 WT7 O ATOM 55154 H1 TIP3 1025 76.131 19.109 52.493 1.00 0.00 WT7 H ATOM 55155 H2 TIP3 1025 75.340 20.398 52.556 1.00 0.00 WT7 H ATOM 55156 OH2 TIP3 1043 34.427 57.212 -8.927 1.00 0.00 WT7 O ATOM 55157 H1 TIP3 1043 33.954 56.414 -8.688 1.00 0.00 WT7 H ATOM 55158 H2 TIP3 1043 35.343 57.015 -8.732 1.00 0.00 WT7 H ATOM 55159 OH2 TIP3 1048 37.408 1.739 36.683 1.00 0.00 WT7 O ATOM 55160 H1 TIP3 1048 37.386 1.249 35.861 1.00 0.00 WT7 H ATOM 55161 H2 TIP3 1048 38.256 1.522 37.069 1.00 0.00 WT7 H ATOM 55162 OH2 TIP3 1052 66.664 76.291 8.255 1.00 0.00 WT7 O ATOM 55163 H1 TIP3 1052 66.825 75.354 8.362 1.00 0.00 WT7 H ATOM 55164 H2 TIP3 1052 65.844 76.450 8.722 1.00 0.00 WT7 H ATOM 55165 OH2 TIP3 1061 54.821 -0.014 3.493 1.00 0.00 WT7 O ATOM 55166 H1 TIP3 1061 54.518 0.893 3.452 1.00 0.00 WT7 H ATOM 55167 H2 TIP3 1061 54.148 -0.470 3.998 1.00 0.00 WT7 H ATOM 55168 OH2 TIP3 1071 52.194 45.755 -1.985 1.00 0.00 WT7 O ATOM 55169 H1 TIP3 1071 53.102 45.584 -1.734 1.00 0.00 WT7 H ATOM 55170 H2 TIP3 1071 51.689 45.078 -1.534 1.00 0.00 WT7 H ATOM 55171 OH2 TIP3 1076 30.396 80.750 10.311 1.00 0.00 WT7 O ATOM 55172 H1 TIP3 1076 30.705 81.351 10.989 1.00 0.00 WT7 H ATOM 55173 H2 TIP3 1076 30.057 81.321 9.621 1.00 0.00 WT7 H ATOM 55174 OH2 TIP3 1098 65.687 14.522 41.081 1.00 0.00 WT7 O ATOM 55175 H1 TIP3 1098 66.333 14.200 41.710 1.00 0.00 WT7 H ATOM 55176 H2 TIP3 1098 65.389 13.737 40.621 1.00 0.00 WT7 H ATOM 55177 OH2 TIP3 1122 33.860 30.234 44.259 1.00 0.00 WT7 O ATOM 55178 H1 TIP3 1122 34.006 29.763 43.438 1.00 0.00 WT7 H ATOM 55179 H2 TIP3 1122 34.680 30.132 44.743 1.00 0.00 WT7 H ATOM 55180 OH2 TIP3 1138 81.760 90.132 -1.965 1.00 0.00 WT7 O ATOM 55181 H1 TIP3 1138 82.414 90.808 -2.143 1.00 0.00 WT7 H ATOM 55182 H2 TIP3 1138 81.985 89.418 -2.562 1.00 0.00 WT7 H ATOM 55183 OH2 TIP3 1253 89.071 61.258 18.354 1.00 0.00 WT7 O ATOM 55184 H1 TIP3 1253 88.161 61.127 18.621 1.00 0.00 WT7 H ATOM 55185 H2 TIP3 1253 89.442 60.376 18.323 1.00 0.00 WT7 H ATOM 55186 OH2 TIP3 1298 60.273 48.534 49.073 1.00 0.00 WT7 O ATOM 55187 H1 TIP3 1298 60.706 47.757 48.720 1.00 0.00 WT7 H ATOM 55188 H2 TIP3 1298 60.369 48.452 50.022 1.00 0.00 WT7 H ATOM 55189 OH2 TIP3 1301 34.351 69.200 62.180 1.00 0.00 WT7 O ATOM 55190 H1 TIP3 1301 33.631 68.593 62.350 1.00 0.00 WT7 H ATOM 55191 H2 TIP3 1301 34.249 69.883 62.843 1.00 0.00 WT7 H ATOM 55192 OH2 TIP3 1354 68.778 97.141 66.727 1.00 0.00 WT7 O ATOM 55193 H1 TIP3 1354 68.224 96.746 66.053 1.00 0.00 WT7 H ATOM 55194 H2 TIP3 1354 69.391 96.446 66.971 1.00 0.00 WT7 H ATOM 55195 OH2 TIP3 1370 56.934 94.545 21.464 1.00 0.00 WT7 O ATOM 55196 H1 TIP3 1370 56.373 94.218 20.761 1.00 0.00 WT7 H ATOM 55197 H2 TIP3 1370 57.223 95.405 21.159 1.00 0.00 WT7 H ATOM 55198 OH2 TIP3 1381 80.536 59.174 58.969 1.00 0.00 WT7 O ATOM 55199 H1 TIP3 1381 80.204 59.855 59.553 1.00 0.00 WT7 H ATOM 55200 H2 TIP3 1381 80.844 59.648 58.197 1.00 0.00 WT7 H ATOM 55201 OH2 TIP3 1382 31.772 91.797 50.850 1.00 0.00 WT7 O ATOM 55202 H1 TIP3 1382 31.805 92.638 50.394 1.00 0.00 WT7 H ATOM 55203 H2 TIP3 1382 32.688 91.528 50.924 1.00 0.00 WT7 H ATOM 55204 OH2 TIP3 1383 87.919 92.082 29.483 1.00 0.00 WT7 O ATOM 55205 H1 TIP3 1383 87.333 92.447 28.820 1.00 0.00 WT7 H ATOM 55206 H2 TIP3 1383 88.452 92.824 29.768 1.00 0.00 WT7 H ATOM 55207 OH2 TIP3 1387 87.811 67.065 -11.014 1.00 0.00 WT7 O ATOM 55208 H1 TIP3 1387 86.969 67.437 -10.752 1.00 0.00 WT7 H ATOM 55209 H2 TIP3 1387 87.699 66.120 -10.912 1.00 0.00 WT7 H ATOM 55210 OH2 TIP3 1395 20.186 56.669 22.870 1.00 0.00 WT7 O ATOM 55211 H1 TIP3 1395 20.843 56.309 22.274 1.00 0.00 WT7 H ATOM 55212 H2 TIP3 1395 19.770 55.902 23.262 1.00 0.00 WT7 H ATOM 55213 OH2 TIP3 1399 88.354 38.811 2.388 1.00 0.00 WT7 O ATOM 55214 H1 TIP3 1399 88.798 38.684 3.226 1.00 0.00 WT7 H ATOM 55215 H2 TIP3 1399 88.892 38.334 1.757 1.00 0.00 WT7 H ATOM 55216 OH2 TIP3 1401 84.576 50.311 -7.755 1.00 0.00 WT7 O ATOM 55217 H1 TIP3 1401 84.899 50.827 -7.016 1.00 0.00 WT7 H ATOM 55218 H2 TIP3 1401 84.548 50.928 -8.485 1.00 0.00 WT7 H ATOM 55219 OH2 TIP3 1408 54.950 77.600 47.853 1.00 0.00 WT7 O ATOM 55220 H1 TIP3 1408 54.790 77.872 48.757 1.00 0.00 WT7 H ATOM 55221 H2 TIP3 1408 54.515 76.750 47.778 1.00 0.00 WT7 H ATOM 55222 OH2 TIP3 1409 81.893 15.640 39.919 1.00 0.00 WT7 O ATOM 55223 H1 TIP3 1409 82.568 16.285 39.709 1.00 0.00 WT7 H ATOM 55224 H2 TIP3 1409 81.783 15.135 39.113 1.00 0.00 WT7 H ATOM 55225 OH2 TIP3 1414 77.321 71.306 28.566 1.00 0.00 WT7 O ATOM 55226 H1 TIP3 1414 76.851 71.061 29.363 1.00 0.00 WT7 H ATOM 55227 H2 TIP3 1414 76.868 70.835 27.866 1.00 0.00 WT7 H ATOM 55228 OH2 TIP3 1429 74.999 27.248 66.816 1.00 0.00 WT7 O ATOM 55229 H1 TIP3 1429 75.921 27.323 67.061 1.00 0.00 WT7 H ATOM 55230 H2 TIP3 1429 74.995 27.345 65.863 1.00 0.00 WT7 H ATOM 55231 OH2 TIP3 1433 90.131 1.364 57.327 1.00 0.00 WT7 O ATOM 55232 H1 TIP3 1433 90.023 0.416 57.408 1.00 0.00 WT7 H ATOM 55233 H2 TIP3 1433 90.730 1.599 58.035 1.00 0.00 WT7 H ATOM 55234 OH2 TIP3 1436 61.989 55.495 28.425 1.00 0.00 WT7 O ATOM 55235 H1 TIP3 1436 61.108 55.604 28.782 1.00 0.00 WT7 H ATOM 55236 H2 TIP3 1436 61.875 54.904 27.681 1.00 0.00 WT7 H ATOM 55237 OH2 TIP3 1440 78.921 53.335 -19.301 1.00 0.00 WT7 O ATOM 55238 H1 TIP3 1440 79.622 52.763 -18.988 1.00 0.00 WT7 H ATOM 55239 H2 TIP3 1440 78.651 53.829 -18.528 1.00 0.00 WT7 H ATOM 55240 OH2 TIP3 1445 69.560 79.738 39.803 1.00 0.00 WT7 O ATOM 55241 H1 TIP3 1445 69.486 80.526 39.264 1.00 0.00 WT7 H ATOM 55242 H2 TIP3 1445 69.800 79.047 39.186 1.00 0.00 WT7 H ATOM 55243 OH2 TIP3 1451 89.918 91.865 -16.133 1.00 0.00 WT7 O ATOM 55244 H1 TIP3 1451 90.013 91.926 -17.083 1.00 0.00 WT7 H ATOM 55245 H2 TIP3 1451 89.299 91.147 -15.999 1.00 0.00 WT7 H ATOM 55246 OH2 TIP3 1459 46.424 87.931 3.377 1.00 0.00 WT7 O ATOM 55247 H1 TIP3 1459 47.157 87.541 3.853 1.00 0.00 WT7 H ATOM 55248 H2 TIP3 1459 46.270 87.336 2.644 1.00 0.00 WT7 H ATOM 55249 OH2 TIP3 1476 21.818 28.388 59.543 1.00 0.00 WT7 O ATOM 55250 H1 TIP3 1476 21.376 27.603 59.218 1.00 0.00 WT7 H ATOM 55251 H2 TIP3 1476 22.750 28.200 59.437 1.00 0.00 WT7 H ATOM 55252 OH2 TIP3 1480 55.253 37.787 -0.132 1.00 0.00 WT7 O ATOM 55253 H1 TIP3 1480 55.917 38.376 -0.490 1.00 0.00 WT7 H ATOM 55254 H2 TIP3 1480 54.662 38.360 0.356 1.00 0.00 WT7 H ATOM 55255 OH2 TIP3 1486 89.431 70.419 -1.873 1.00 0.00 WT7 O ATOM 55256 H1 TIP3 1486 90.142 69.957 -1.428 1.00 0.00 WT7 H ATOM 55257 H2 TIP3 1486 89.051 69.765 -2.461 1.00 0.00 WT7 H ATOM 55258 OH2 TIP3 1509 75.440 78.540 -8.387 1.00 0.00 WT7 O ATOM 55259 H1 TIP3 1509 74.947 78.701 -9.192 1.00 0.00 WT7 H ATOM 55260 H2 TIP3 1509 74.796 78.644 -7.686 1.00 0.00 WT7 H ATOM 55261 OH2 TIP3 1518 31.738 85.797 26.778 1.00 0.00 WT7 O ATOM 55262 H1 TIP3 1518 31.330 86.205 27.542 1.00 0.00 WT7 H ATOM 55263 H2 TIP3 1518 32.629 85.594 27.062 1.00 0.00 WT7 H ATOM 55264 OH2 TIP3 1524 66.399 83.920 62.179 1.00 0.00 WT7 O ATOM 55265 H1 TIP3 1524 65.856 84.391 61.548 1.00 0.00 WT7 H ATOM 55266 H2 TIP3 1524 66.477 84.518 62.923 1.00 0.00 WT7 H ATOM 55267 OH2 TIP3 1573 80.552 88.632 49.531 1.00 0.00 WT7 O ATOM 55268 H1 TIP3 1573 80.459 88.868 48.608 1.00 0.00 WT7 H ATOM 55269 H2 TIP3 1573 81.463 88.353 49.617 1.00 0.00 WT7 H ATOM 55270 OH2 TIP3 1592 85.069 50.049 12.889 1.00 0.00 WT7 O ATOM 55271 H1 TIP3 1592 85.305 50.958 13.076 1.00 0.00 WT7 H ATOM 55272 H2 TIP3 1592 85.908 49.598 12.793 1.00 0.00 WT7 H ATOM 55273 OH2 TIP3 1618 49.270 12.068 49.316 1.00 0.00 WT7 O ATOM 55274 H1 TIP3 1618 48.372 11.798 49.504 1.00 0.00 WT7 H ATOM 55275 H2 TIP3 1618 49.352 12.932 49.718 1.00 0.00 WT7 H ATOM 55276 OH2 TIP3 1725 51.242 68.708 7.768 1.00 0.00 WT7 O ATOM 55277 H1 TIP3 1725 51.920 68.107 8.077 1.00 0.00 WT7 H ATOM 55278 H2 TIP3 1725 50.552 68.651 8.428 1.00 0.00 WT7 H ATOM 55279 OH2 TIP3 1733 64.925 63.602 30.719 1.00 0.00 WT7 O ATOM 55280 H1 TIP3 1733 64.015 63.894 30.662 1.00 0.00 WT7 H ATOM 55281 H2 TIP3 1733 65.112 63.229 29.858 1.00 0.00 WT7 H ATOM 55282 OH2 TIP3 1771 21.487 35.229 34.494 1.00 0.00 WT7 O ATOM 55283 H1 TIP3 1771 21.736 34.903 35.359 1.00 0.00 WT7 H ATOM 55284 H2 TIP3 1771 20.985 36.025 34.674 1.00 0.00 WT7 H ATOM 55285 OH2 TIP3 1775 68.911 58.244 20.516 1.00 0.00 WT7 O ATOM 55286 H1 TIP3 1775 69.165 57.849 21.350 1.00 0.00 WT7 H ATOM 55287 H2 TIP3 1775 69.305 57.678 19.853 1.00 0.00 WT7 H ATOM 55288 OH2 TIP3 1778 53.669 7.497 5.507 1.00 0.00 WT7 O ATOM 55289 H1 TIP3 1778 53.374 8.354 5.198 1.00 0.00 WT7 H ATOM 55290 H2 TIP3 1778 53.068 7.279 6.220 1.00 0.00 WT7 H ATOM 55291 OH2 TIP3 1779 46.954 48.555 -19.280 1.00 0.00 WT7 O ATOM 55292 H1 TIP3 1779 47.138 49.117 -18.526 1.00 0.00 WT7 H ATOM 55293 H2 TIP3 1779 46.140 48.901 -19.645 1.00 0.00 WT7 H ATOM 55294 OH2 TIP3 1812 84.357 63.280 21.001 1.00 0.00 WT7 O ATOM 55295 H1 TIP3 1812 84.819 63.670 21.742 1.00 0.00 WT7 H ATOM 55296 H2 TIP3 1812 84.559 63.854 20.263 1.00 0.00 WT7 H ATOM 55297 OH2 TIP3 1849 81.145 95.990 -18.547 1.00 0.00 WT7 O ATOM 55298 H1 TIP3 1849 81.839 96.591 -18.277 1.00 0.00 WT7 H ATOM 55299 H2 TIP3 1849 81.368 95.160 -18.126 1.00 0.00 WT7 H ATOM 55300 OH2 TIP3 1853 30.318 29.773 66.586 1.00 0.00 WT7 O ATOM 55301 H1 TIP3 1853 31.106 30.272 66.366 1.00 0.00 WT7 H ATOM 55302 H2 TIP3 1853 30.349 29.010 66.009 1.00 0.00 WT7 H ATOM 55303 OH2 TIP3 1858 37.893 10.100 19.140 1.00 0.00 WT7 O ATOM 55304 H1 TIP3 1858 37.063 10.289 18.704 1.00 0.00 WT7 H ATOM 55305 H2 TIP3 1858 38.250 10.961 19.359 1.00 0.00 WT7 H ATOM 55306 OH2 TIP3 1859 68.689 95.725 25.298 1.00 0.00 WT7 O ATOM 55307 H1 TIP3 1859 68.212 95.924 26.104 1.00 0.00 WT7 H ATOM 55308 H2 TIP3 1859 68.072 95.213 24.774 1.00 0.00 WT7 H ATOM 55309 OH2 TIP3 1864 65.586 86.942 45.209 1.00 0.00 WT7 O ATOM 55310 H1 TIP3 1864 66.448 86.624 45.477 1.00 0.00 WT7 H ATOM 55311 H2 TIP3 1864 65.585 87.867 45.454 1.00 0.00 WT7 H ATOM 55312 OH2 TIP3 1879 21.126 3.358 65.283 1.00 0.00 WT7 O ATOM 55313 H1 TIP3 1879 21.104 2.401 65.265 1.00 0.00 WT7 H ATOM 55314 H2 TIP3 1879 20.348 3.624 64.792 1.00 0.00 WT7 H ATOM 55315 OH2 TIP3 1880 51.443 18.196 -15.327 1.00 0.00 WT7 O ATOM 55316 H1 TIP3 1880 52.021 18.684 -15.914 1.00 0.00 WT7 H ATOM 55317 H2 TIP3 1880 51.992 17.985 -14.572 1.00 0.00 WT7 H ATOM 55318 OH2 TIP3 1882 35.268 51.244 33.551 1.00 0.00 WT7 O ATOM 55319 H1 TIP3 1882 36.094 51.011 33.126 1.00 0.00 WT7 H ATOM 55320 H2 TIP3 1882 35.531 51.728 34.334 1.00 0.00 WT7 H ATOM 55321 OH2 TIP3 1897 78.686 57.810 22.435 1.00 0.00 WT7 O ATOM 55322 H1 TIP3 1897 78.634 58.149 23.329 1.00 0.00 WT7 H ATOM 55323 H2 TIP3 1897 77.840 57.386 22.290 1.00 0.00 WT7 H ATOM 55324 OH2 TIP3 1898 34.361 71.677 67.007 1.00 0.00 WT7 O ATOM 55325 H1 TIP3 1898 34.237 71.753 67.953 1.00 0.00 WT7 H ATOM 55326 H2 TIP3 1898 34.798 70.834 66.889 1.00 0.00 WT7 H ATOM 55327 OH2 TIP3 1925 32.509 35.071 8.212 1.00 0.00 WT7 O ATOM 55328 H1 TIP3 1925 32.193 34.429 7.576 1.00 0.00 WT7 H ATOM 55329 H2 TIP3 1925 32.453 35.910 7.753 1.00 0.00 WT7 H ATOM 55330 OH2 TIP3 1949 69.674 83.279 7.400 1.00 0.00 WT7 O ATOM 55331 H1 TIP3 1949 68.782 83.019 7.170 1.00 0.00 WT7 H ATOM 55332 H2 TIP3 1949 69.795 82.957 8.293 1.00 0.00 WT7 H ATOM 55333 OH2 TIP3 1960 71.734 26.304 34.066 1.00 0.00 WT7 O ATOM 55334 H1 TIP3 1960 72.145 26.967 33.510 1.00 0.00 WT7 H ATOM 55335 H2 TIP3 1960 71.100 26.792 34.592 1.00 0.00 WT7 H ATOM 55336 OH2 TIP3 1965 64.839 87.370 42.291 1.00 0.00 WT7 O ATOM 55337 H1 TIP3 1965 64.376 87.603 43.096 1.00 0.00 WT7 H ATOM 55338 H2 TIP3 1965 65.726 87.704 42.419 1.00 0.00 WT7 H ATOM 55339 OH2 TIP3 1994 89.143 85.953 54.473 1.00 0.00 WT7 O ATOM 55340 H1 TIP3 1994 89.449 86.722 53.993 1.00 0.00 WT7 H ATOM 55341 H2 TIP3 1994 89.517 85.210 53.998 1.00 0.00 WT7 H ATOM 55342 OH2 TIP3 2127 38.583 89.220 -4.825 1.00 0.00 WT7 O ATOM 55343 H1 TIP3 2127 38.925 89.230 -3.931 1.00 0.00 WT7 H ATOM 55344 H2 TIP3 2127 38.574 88.295 -5.069 1.00 0.00 WT7 H ATOM 55345 OH2 TIP3 2231 54.995 64.489 28.785 1.00 0.00 WT7 O ATOM 55346 H1 TIP3 2231 55.784 64.523 29.326 1.00 0.00 WT7 H ATOM 55347 H2 TIP3 2231 55.273 64.046 27.983 1.00 0.00 WT7 H ATOM 55348 OH2 TIP3 2236 68.394 63.000 -13.026 1.00 0.00 WT7 O ATOM 55349 H1 TIP3 2236 68.917 62.228 -13.241 1.00 0.00 WT7 H ATOM 55350 H2 TIP3 2236 67.673 62.662 -12.495 1.00 0.00 WT7 H ATOM 55351 OH2 TIP3 2268 59.768 56.555 23.581 1.00 0.00 WT7 O ATOM 55352 H1 TIP3 2268 60.044 56.755 22.686 1.00 0.00 WT7 H ATOM 55353 H2 TIP3 2268 58.889 56.930 23.649 1.00 0.00 WT7 H ATOM 55354 OH2 TIP3 2270 85.969 1.663 61.397 1.00 0.00 WT7 O ATOM 55355 H1 TIP3 2270 85.063 1.355 61.421 1.00 0.00 WT7 H ATOM 55356 H2 TIP3 2270 86.069 2.179 62.197 1.00 0.00 WT7 H ATOM 55357 OH2 TIP3 2282 66.824 49.414 -17.417 1.00 0.00 WT7 O ATOM 55358 H1 TIP3 2282 66.528 50.192 -17.890 1.00 0.00 WT7 H ATOM 55359 H2 TIP3 2282 67.195 49.754 -16.603 1.00 0.00 WT7 H ATOM 55360 OH2 TIP3 2288 85.727 79.448 1.807 1.00 0.00 WT7 O ATOM 55361 H1 TIP3 2288 85.560 78.646 1.313 1.00 0.00 WT7 H ATOM 55362 H2 TIP3 2288 86.511 79.255 2.321 1.00 0.00 WT7 H ATOM 55363 OH2 TIP3 2293 73.519 38.724 39.330 1.00 0.00 WT7 O ATOM 55364 H1 TIP3 2293 74.409 38.974 39.080 1.00 0.00 WT7 H ATOM 55365 H2 TIP3 2293 72.977 39.467 39.067 1.00 0.00 WT7 H ATOM 55366 OH2 TIP3 2317 28.126 85.621 -18.905 1.00 0.00 WT7 O ATOM 55367 H1 TIP3 2317 27.693 86.256 -18.334 1.00 0.00 WT7 H ATOM 55368 H2 TIP3 2317 27.807 84.770 -18.604 1.00 0.00 WT7 H ATOM 55369 OH2 TIP3 2324 86.588 82.050 -19.202 1.00 0.00 WT7 O ATOM 55370 H1 TIP3 2324 86.170 82.598 -19.866 1.00 0.00 WT7 H ATOM 55371 H2 TIP3 2324 86.219 81.179 -19.343 1.00 0.00 WT7 H ATOM 55372 OH2 TIP3 2327 24.465 65.708 12.545 1.00 0.00 WT7 O ATOM 55373 H1 TIP3 2327 24.105 66.395 13.106 1.00 0.00 WT7 H ATOM 55374 H2 TIP3 2327 25.414 65.788 12.646 1.00 0.00 WT7 H ATOM 55375 OH2 TIP3 2357 22.881 54.835 16.448 1.00 0.00 WT7 O ATOM 55376 H1 TIP3 2357 23.833 54.857 16.542 1.00 0.00 WT7 H ATOM 55377 H2 TIP3 2357 22.734 54.811 15.503 1.00 0.00 WT7 H ATOM 55378 OH2 TIP3 2358 50.612 21.996 3.222 1.00 0.00 WT7 O ATOM 55379 H1 TIP3 2358 50.792 22.932 3.307 1.00 0.00 WT7 H ATOM 55380 H2 TIP3 2358 50.119 21.773 4.011 1.00 0.00 WT7 H ATOM 55381 OH2 TIP3 2408 48.448 51.809 -7.552 1.00 0.00 WT7 O ATOM 55382 H1 TIP3 2408 48.010 51.842 -6.702 1.00 0.00 WT7 H ATOM 55383 H2 TIP3 2408 48.181 52.617 -7.991 1.00 0.00 WT7 H ATOM 55384 OH2 TIP3 2411 36.104 12.825 48.357 1.00 0.00 WT7 O ATOM 55385 H1 TIP3 2411 36.999 12.851 48.696 1.00 0.00 WT7 H ATOM 55386 H2 TIP3 2411 36.171 12.330 47.541 1.00 0.00 WT7 H ATOM 55387 OH2 TIP3 2629 31.362 73.985 51.859 1.00 0.00 WT7 O ATOM 55388 H1 TIP3 2629 30.837 74.770 52.011 1.00 0.00 WT7 H ATOM 55389 H2 TIP3 2629 32.183 74.312 51.492 1.00 0.00 WT7 H ATOM 55390 OH2 TIP3 2644 64.240 21.314 0.309 1.00 0.00 WT7 O ATOM 55391 H1 TIP3 2644 64.771 22.056 0.018 1.00 0.00 WT7 H ATOM 55392 H2 TIP3 2644 64.844 20.770 0.815 1.00 0.00 WT7 H ATOM 55393 OH2 TIP3 2705 26.884 28.605 51.574 1.00 0.00 WT7 O ATOM 55394 H1 TIP3 2705 26.920 29.379 52.136 1.00 0.00 WT7 H ATOM 55395 H2 TIP3 2705 26.293 28.006 52.030 1.00 0.00 WT7 H ATOM 55396 OH2 TIP3 2714 82.144 79.262 10.969 1.00 0.00 WT7 O ATOM 55397 H1 TIP3 2714 82.597 79.404 11.800 1.00 0.00 WT7 H ATOM 55398 H2 TIP3 2714 82.846 79.132 10.331 1.00 0.00 WT7 H ATOM 55399 OH2 TIP3 2759 78.902 85.136 65.053 1.00 0.00 WT7 O ATOM 55400 H1 TIP3 2759 78.631 85.289 65.958 1.00 0.00 WT7 H ATOM 55401 H2 TIP3 2759 79.113 84.203 65.020 1.00 0.00 WT7 H ATOM 55402 OH2 TIP3 2780 68.767 63.171 12.950 1.00 0.00 WT7 O ATOM 55403 H1 TIP3 2780 68.962 62.264 12.714 1.00 0.00 WT7 H ATOM 55404 H2 TIP3 2780 67.811 63.216 12.956 1.00 0.00 WT7 H ATOM 55405 OH2 TIP3 2855 55.261 5.079 14.326 1.00 0.00 WT7 O ATOM 55406 H1 TIP3 2855 54.703 4.557 14.902 1.00 0.00 WT7 H ATOM 55407 H2 TIP3 2855 54.782 5.116 13.498 1.00 0.00 WT7 H ATOM 55408 OH2 TIP3 2872 32.989 92.260 43.696 1.00 0.00 WT7 O ATOM 55409 H1 TIP3 2872 33.115 91.774 44.511 1.00 0.00 WT7 H ATOM 55410 H2 TIP3 2872 32.455 91.682 43.152 1.00 0.00 WT7 H ATOM 55411 OH2 TIP3 2895 34.684 96.063 7.956 1.00 0.00 WT7 O ATOM 55412 H1 TIP3 2895 35.563 95.858 7.637 1.00 0.00 WT7 H ATOM 55413 H2 TIP3 2895 34.281 96.563 7.246 1.00 0.00 WT7 H ATOM 55414 OH2 TIP3 3287 89.391 86.576 3.400 1.00 0.00 WT7 O ATOM 55415 H1 TIP3 3287 88.676 86.519 4.035 1.00 0.00 WT7 H ATOM 55416 H2 TIP3 3287 89.211 85.875 2.773 1.00 0.00 WT7 H ATOM 55417 OH2 TIP3 3294 49.041 74.153 65.030 1.00 0.00 WT7 O ATOM 55418 H1 TIP3 3294 49.056 73.326 64.549 1.00 0.00 WT7 H ATOM 55419 H2 TIP3 3294 48.342 74.659 64.616 1.00 0.00 WT7 H ATOM 55420 OH2 TIP3 3521 60.570 82.074 40.995 1.00 0.00 WT7 O ATOM 55421 H1 TIP3 3521 61.517 81.931 40.984 1.00 0.00 WT7 H ATOM 55422 H2 TIP3 3521 60.201 81.216 41.202 1.00 0.00 WT7 H ATOM 55423 OH2 TIP3 3665 65.737 75.301 17.550 1.00 0.00 WT7 O ATOM 55424 H1 TIP3 3665 65.620 75.870 16.789 1.00 0.00 WT7 H ATOM 55425 H2 TIP3 3665 64.989 74.704 17.520 1.00 0.00 WT7 H ATOM 55426 OH2 TIP3 5421 31.171 57.924 34.521 1.00 0.00 WT7 O ATOM 55427 H1 TIP3 5421 30.876 58.346 35.328 1.00 0.00 WT7 H ATOM 55428 H2 TIP3 5421 31.339 58.649 33.919 1.00 0.00 WT7 H ATOM 55429 OH2 TIP3 6240 55.560 41.017 44.601 1.00 0.00 WT7 O ATOM 55430 H1 TIP3 6240 54.988 41.575 44.074 1.00 0.00 WT7 H ATOM 55431 H2 TIP3 6240 55.199 40.137 44.495 1.00 0.00 WT7 H ATOM 55432 OH2 TIP3 6350 62.319 64.532 30.467 1.00 0.00 WT7 O ATOM 55433 H1 TIP3 6350 61.893 65.053 29.786 1.00 0.00 WT7 H ATOM 55434 H2 TIP3 6350 61.643 63.919 30.758 1.00 0.00 WT7 H ATOM 55435 OH2 TIP3 6628 47.937 12.551 24.674 1.00 0.00 WT7 O ATOM 55436 H1 TIP3 6628 47.292 13.150 25.051 1.00 0.00 WT7 H ATOM 55437 H2 TIP3 6628 48.282 13.017 23.913 1.00 0.00 WT7 H ATOM 55438 OH2 TIP3 6650 82.320 29.557 50.400 1.00 0.00 WT7 O ATOM 55439 H1 TIP3 6650 82.802 29.992 49.697 1.00 0.00 WT7 H ATOM 55440 H2 TIP3 6650 82.098 30.261 51.010 1.00 0.00 WT7 H ATOM 55441 OH2 TIP3 6671 29.251 49.882 62.743 1.00 0.00 WT7 O ATOM 55442 H1 TIP3 6671 29.449 50.567 62.104 1.00 0.00 WT7 H ATOM 55443 H2 TIP3 6671 28.400 50.130 63.104 1.00 0.00 WT7 H ATOM 55444 OH2 TIP3 6751 58.899 83.875 65.160 1.00 0.00 WT7 O ATOM 55445 H1 TIP3 6751 57.982 83.703 65.374 1.00 0.00 WT7 H ATOM 55446 H2 TIP3 6751 59.265 83.014 64.960 1.00 0.00 WT7 H ATOM 55447 OH2 TIP3 6773 41.420 21.192 25.984 1.00 0.00 WT7 O ATOM 55448 H1 TIP3 6773 42.029 21.557 25.341 1.00 0.00 WT7 H ATOM 55449 H2 TIP3 6773 41.432 20.250 25.816 1.00 0.00 WT7 H ATOM 55450 OH2 TIP3 7027 68.255 41.638 -9.241 1.00 0.00 WT7 O ATOM 55451 H1 TIP3 7027 67.672 42.183 -8.712 1.00 0.00 WT7 H ATOM 55452 H2 TIP3 7027 67.830 40.781 -9.260 1.00 0.00 WT7 H ATOM 55453 OH2 TIP3 7114 46.600 45.834 -19.648 1.00 0.00 WT7 O ATOM 55454 H1 TIP3 7114 47.515 45.780 -19.372 1.00 0.00 WT7 H ATOM 55455 H2 TIP3 7114 46.477 46.751 -19.893 1.00 0.00 WT7 H ATOM 55456 OH2 TIP3 7133 65.140 87.983 12.692 1.00 0.00 WT7 O ATOM 55457 H1 TIP3 7133 64.718 87.653 13.486 1.00 0.00 WT7 H ATOM 55458 H2 TIP3 7133 65.082 87.257 12.071 1.00 0.00 WT7 H ATOM 55459 OH2 TIP3 7165 66.995 29.123 -0.429 1.00 0.00 WT7 O ATOM 55460 H1 TIP3 7165 67.084 29.145 0.523 1.00 0.00 WT7 H ATOM 55461 H2 TIP3 7165 66.666 29.992 -0.660 1.00 0.00 WT7 H ATOM 55462 OH2 TIP3 7214 72.208 21.270 -0.979 1.00 0.00 WT7 O ATOM 55463 H1 TIP3 7214 73.118 21.548 -1.083 1.00 0.00 WT7 H ATOM 55464 H2 TIP3 7214 71.873 21.807 -0.261 1.00 0.00 WT7 H ATOM 55465 OH2 TIP3 7295 27.538 73.813 64.626 1.00 0.00 WT7 O ATOM 55466 H1 TIP3 7295 26.899 73.376 65.189 1.00 0.00 WT7 H ATOM 55467 H2 TIP3 7295 28.238 74.082 65.220 1.00 0.00 WT7 H ATOM 55468 OH2 TIP3 7532 34.521 85.894 -12.696 1.00 0.00 WT7 O ATOM 55469 H1 TIP3 7532 34.929 86.759 -12.726 1.00 0.00 WT7 H ATOM 55470 H2 TIP3 7532 34.268 85.780 -11.779 1.00 0.00 WT7 H ATOM 55471 OH2 TIP3 7537 48.363 37.349 -9.391 1.00 0.00 WT7 O ATOM 55472 H1 TIP3 7537 47.494 37.359 -8.988 1.00 0.00 WT7 H ATOM 55473 H2 TIP3 7537 48.684 36.459 -9.247 1.00 0.00 WT7 H ATOM 55474 OH2 TIP3 7563 50.409 89.378 -15.104 1.00 0.00 WT7 O ATOM 55475 H1 TIP3 7563 51.131 88.987 -14.612 1.00 0.00 WT7 H ATOM 55476 H2 TIP3 7563 49.738 88.696 -15.129 1.00 0.00 WT7 H ATOM 55477 OH2 TIP3 7568 37.370 80.732 54.093 1.00 0.00 WT7 O ATOM 55478 H1 TIP3 7568 37.619 80.742 53.169 1.00 0.00 WT7 H ATOM 55479 H2 TIP3 7568 36.683 81.395 54.164 1.00 0.00 WT7 H ATOM 55480 OH2 TIP3 7576 62.659 52.877 -4.586 1.00 0.00 WT7 O ATOM 55481 H1 TIP3 7576 62.466 53.125 -3.682 1.00 0.00 WT7 H ATOM 55482 H2 TIP3 7576 61.805 52.667 -4.965 1.00 0.00 WT7 H ATOM 55483 OH2 TIP3 7583 55.774 38.466 37.588 1.00 0.00 WT7 O ATOM 55484 H1 TIP3 7583 54.891 38.465 37.958 1.00 0.00 WT7 H ATOM 55485 H2 TIP3 7583 55.679 38.032 36.740 1.00 0.00 WT7 H ATOM 55486 OH2 TIP3 7592 28.905 79.009 41.400 1.00 0.00 WT7 O ATOM 55487 H1 TIP3 7592 29.424 78.294 41.767 1.00 0.00 WT7 H ATOM 55488 H2 TIP3 7592 29.544 79.564 40.952 1.00 0.00 WT7 H ATOM 55489 OH2 TIP3 7607 62.718 50.886 -16.415 1.00 0.00 WT7 O ATOM 55490 H1 TIP3 7607 63.017 50.775 -15.513 1.00 0.00 WT7 H ATOM 55491 H2 TIP3 7607 62.317 51.754 -16.431 1.00 0.00 WT7 H ATOM 55492 OH2 TIP3 7630 77.474 45.631 44.004 1.00 0.00 WT7 O ATOM 55493 H1 TIP3 7630 77.375 46.216 44.756 1.00 0.00 WT7 H ATOM 55494 H2 TIP3 7630 76.720 45.827 43.448 1.00 0.00 WT7 H ATOM 55495 OH2 TIP3 7631 59.713 42.124 -10.220 1.00 0.00 WT7 O ATOM 55496 H1 TIP3 7631 60.315 41.537 -10.678 1.00 0.00 WT7 H ATOM 55497 H2 TIP3 7631 59.436 41.630 -9.449 1.00 0.00 WT7 H ATOM 55498 OH2 TIP3 7634 41.527 10.158 50.476 1.00 0.00 WT7 O ATOM 55499 H1 TIP3 7634 41.834 9.446 51.036 1.00 0.00 WT7 H ATOM 55500 H2 TIP3 7634 42.081 10.903 50.709 1.00 0.00 WT7 H ATOM 55501 OH2 TIP3 7642 76.836 85.422 52.596 1.00 0.00 WT7 O ATOM 55502 H1 TIP3 7642 77.148 85.795 51.771 1.00 0.00 WT7 H ATOM 55503 H2 TIP3 7642 75.937 85.150 52.412 1.00 0.00 WT7 H ATOM 55504 OH2 TIP3 7647 50.593 96.774 -1.950 1.00 0.00 WT7 O ATOM 55505 H1 TIP3 7647 50.109 95.956 -1.836 1.00 0.00 WT7 H ATOM 55506 H2 TIP3 7647 50.235 97.360 -1.283 1.00 0.00 WT7 H ATOM 55507 OH2 TIP3 7650 27.301 18.633 51.363 1.00 0.00 WT7 O ATOM 55508 H1 TIP3 7650 26.870 18.260 52.132 1.00 0.00 WT7 H ATOM 55509 H2 TIP3 7650 27.572 19.508 51.640 1.00 0.00 WT7 H ATOM 55510 OH2 TIP3 7661 64.010 77.833 -12.674 1.00 0.00 WT7 O ATOM 55511 H1 TIP3 7661 63.702 77.921 -11.772 1.00 0.00 WT7 H ATOM 55512 H2 TIP3 7661 64.517 77.021 -12.676 1.00 0.00 WT7 H ATOM 55513 OH2 TIP3 7707 51.698 40.827 -12.104 1.00 0.00 WT7 O ATOM 55514 H1 TIP3 7707 51.773 40.387 -11.257 1.00 0.00 WT7 H ATOM 55515 H2 TIP3 7707 51.091 40.282 -12.604 1.00 0.00 WT7 H ATOM 55516 OH2 TIP3 7739 37.499 58.329 1.253 1.00 0.00 WT7 O ATOM 55517 H1 TIP3 7739 38.176 58.979 1.442 1.00 0.00 WT7 H ATOM 55518 H2 TIP3 7739 37.960 57.490 1.274 1.00 0.00 WT7 H ATOM 55519 OH2 TIP3 7876 48.436 32.362 4.334 1.00 0.00 WT7 O ATOM 55520 H1 TIP3 7876 48.584 33.110 3.755 1.00 0.00 WT7 H ATOM 55521 H2 TIP3 7876 48.277 32.752 5.194 1.00 0.00 WT7 H ATOM 55522 OH2 TIP3 7951 78.844 67.685 21.274 1.00 0.00 WT7 O ATOM 55523 H1 TIP3 7951 78.581 67.666 20.354 1.00 0.00 WT7 H ATOM 55524 H2 TIP3 7951 78.068 67.390 21.751 1.00 0.00 WT7 H ATOM 55525 OH2 TIP3 7961 37.627 95.044 4.408 1.00 0.00 WT7 O ATOM 55526 H1 TIP3 7961 37.332 95.891 4.743 1.00 0.00 WT7 H ATOM 55527 H2 TIP3 7961 36.928 94.435 4.646 1.00 0.00 WT7 H ATOM 55528 OH2 TIP3 7978 62.459 14.385 38.825 1.00 0.00 WT7 O ATOM 55529 H1 TIP3 7978 62.193 13.892 38.049 1.00 0.00 WT7 H ATOM 55530 H2 TIP3 7978 63.399 14.223 38.902 1.00 0.00 WT7 H ATOM 55531 OH2 TIP3 7985 27.211 14.467 -12.900 1.00 0.00 WT7 O ATOM 55532 H1 TIP3 7985 26.596 14.553 -13.629 1.00 0.00 WT7 H ATOM 55533 H2 TIP3 7985 27.721 13.684 -13.108 1.00 0.00 WT7 H ATOM 55534 OH2 TIP3 7997 42.296 91.016 42.810 1.00 0.00 WT7 O ATOM 55535 H1 TIP3 7997 42.432 90.074 42.714 1.00 0.00 WT7 H ATOM 55536 H2 TIP3 7997 42.908 91.280 43.496 1.00 0.00 WT7 H ATOM 55537 OH2 TIP3 7998 35.273 0.350 -8.497 1.00 0.00 WT7 O ATOM 55538 H1 TIP3 7998 35.446 0.537 -9.420 1.00 0.00 WT7 H ATOM 55539 H2 TIP3 7998 36.091 -0.026 -8.172 1.00 0.00 WT7 H ATOM 55540 OH2 TIP3 8009 50.876 28.916 29.489 1.00 0.00 WT7 O ATOM 55541 H1 TIP3 8009 49.965 28.837 29.206 1.00 0.00 WT7 H ATOM 55542 H2 TIP3 8009 51.362 29.094 28.684 1.00 0.00 WT7 H ATOM 55543 OH2 TIP3 8014 72.915 92.103 25.860 1.00 0.00 WT7 O ATOM 55544 H1 TIP3 8014 73.112 91.686 26.699 1.00 0.00 WT7 H ATOM 55545 H2 TIP3 8014 72.319 91.495 25.424 1.00 0.00 WT7 H ATOM 55546 OH2 TIP3 8023 25.157 79.796 12.822 1.00 0.00 WT7 O ATOM 55547 H1 TIP3 8023 25.549 79.003 12.456 1.00 0.00 WT7 H ATOM 55548 H2 TIP3 8023 25.853 80.452 12.773 1.00 0.00 WT7 H ATOM 55549 OH2 TIP3 8024 65.218 8.743 38.036 1.00 0.00 WT7 O ATOM 55550 H1 TIP3 8024 65.340 8.057 38.693 1.00 0.00 WT7 H ATOM 55551 H2 TIP3 8024 65.097 9.544 38.545 1.00 0.00 WT7 H ATOM 55552 OH2 TIP3 8031 68.344 60.452 -5.452 1.00 0.00 WT7 O ATOM 55553 H1 TIP3 8031 67.855 61.079 -5.986 1.00 0.00 WT7 H ATOM 55554 H2 TIP3 8031 67.982 60.553 -4.572 1.00 0.00 WT7 H ATOM 55555 OH2 TIP3 8034 51.311 63.719 49.350 1.00 0.00 WT7 O ATOM 55556 H1 TIP3 8034 52.156 63.475 48.974 1.00 0.00 WT7 H ATOM 55557 H2 TIP3 8034 50.664 63.323 48.766 1.00 0.00 WT7 H ATOM 55558 OH2 TIP3 8046 55.852 88.480 29.421 1.00 0.00 WT7 O ATOM 55559 H1 TIP3 8046 55.473 87.668 29.755 1.00 0.00 WT7 H ATOM 55560 H2 TIP3 8046 55.226 88.783 28.763 1.00 0.00 WT7 H ATOM 55561 OH2 TIP3 8064 46.066 78.174 -19.842 1.00 0.00 WT7 O ATOM 55562 H1 TIP3 8064 46.093 77.217 -19.851 1.00 0.00 WT7 H ATOM 55563 H2 TIP3 8064 46.860 78.432 -19.374 1.00 0.00 WT7 H ATOM 55564 OH2 TIP3 8067 68.848 81.937 45.990 1.00 0.00 WT7 O ATOM 55565 H1 TIP3 8067 68.252 82.331 45.354 1.00 0.00 WT7 H ATOM 55566 H2 TIP3 8067 68.392 82.019 46.828 1.00 0.00 WT7 H ATOM 55567 OH2 TIP3 8068 80.452 84.501 8.101 1.00 0.00 WT7 O ATOM 55568 H1 TIP3 8068 81.312 84.921 8.106 1.00 0.00 WT7 H ATOM 55569 H2 TIP3 8068 80.454 83.960 7.312 1.00 0.00 WT7 H ATOM 55570 OH2 TIP3 8079 89.392 53.067 13.930 1.00 0.00 WT7 O ATOM 55571 H1 TIP3 8079 90.311 52.934 14.162 1.00 0.00 WT7 H ATOM 55572 H2 TIP3 8079 88.908 52.835 14.723 1.00 0.00 WT7 H ATOM 55573 OH2 TIP3 8123 39.592 67.511 -0.594 1.00 0.00 WT7 O ATOM 55574 H1 TIP3 8123 39.122 67.945 0.118 1.00 0.00 WT7 H ATOM 55575 H2 TIP3 8123 40.497 67.811 -0.502 1.00 0.00 WT7 H ATOM 55576 OH2 TIP3 8133 23.294 64.260 -4.826 1.00 0.00 WT7 O ATOM 55577 H1 TIP3 8133 22.811 63.607 -5.334 1.00 0.00 WT7 H ATOM 55578 H2 TIP3 8133 24.102 63.814 -4.569 1.00 0.00 WT7 H ATOM 55579 OH2 TIP3 8161 69.983 11.712 39.731 1.00 0.00 WT7 O ATOM 55580 H1 TIP3 8161 70.929 11.817 39.626 1.00 0.00 WT7 H ATOM 55581 H2 TIP3 8161 69.740 11.063 39.070 1.00 0.00 WT7 H ATOM 55582 OH2 TIP3 8174 35.117 57.570 32.396 1.00 0.00 WT7 O ATOM 55583 H1 TIP3 8174 35.739 56.992 31.954 1.00 0.00 WT7 H ATOM 55584 H2 TIP3 8174 35.665 58.218 32.839 1.00 0.00 WT7 H ATOM 55585 OH2 TIP3 8183 39.522 4.408 0.632 1.00 0.00 WT7 O ATOM 55586 H1 TIP3 8183 39.122 5.085 1.178 1.00 0.00 WT7 H ATOM 55587 H2 TIP3 8183 38.851 3.729 0.562 1.00 0.00 WT7 H ATOM 55588 OH2 TIP3 8270 89.685 5.591 54.852 1.00 0.00 WT7 O ATOM 55589 H1 TIP3 8270 88.791 5.478 54.528 1.00 0.00 WT7 H ATOM 55590 H2 TIP3 8270 90.098 4.738 54.718 1.00 0.00 WT7 H ATOM 55591 OH2 TIP3 8290 35.802 21.121 48.144 1.00 0.00 WT7 O ATOM 55592 H1 TIP3 8290 35.964 21.321 49.067 1.00 0.00 WT7 H ATOM 55593 H2 TIP3 8290 36.667 21.153 47.737 1.00 0.00 WT7 H ATOM 55594 OH2 TIP3 8309 84.351 58.430 26.208 1.00 0.00 WT7 O ATOM 55595 H1 TIP3 8309 85.096 58.492 25.611 1.00 0.00 WT7 H ATOM 55596 H2 TIP3 8309 84.712 58.034 27.001 1.00 0.00 WT7 H ATOM 55597 OH2 TIP3 8375 25.011 75.333 15.134 1.00 0.00 WT7 O ATOM 55598 H1 TIP3 8375 25.207 75.828 14.338 1.00 0.00 WT7 H ATOM 55599 H2 TIP3 8375 25.054 74.416 14.863 1.00 0.00 WT7 H ATOM 55600 OH2 TIP3 8376 36.347 3.265 12.889 1.00 0.00 WT7 O ATOM 55601 H1 TIP3 8376 36.056 3.880 12.216 1.00 0.00 WT7 H ATOM 55602 H2 TIP3 8376 36.824 2.589 12.407 1.00 0.00 WT7 H ATOM 55603 OH2 TIP3 8393 21.519 74.165 33.127 1.00 0.00 WT7 O ATOM 55604 H1 TIP3 8393 21.820 74.891 33.673 1.00 0.00 WT7 H ATOM 55605 H2 TIP3 8393 20.728 73.848 33.564 1.00 0.00 WT7 H ATOM 55606 OH2 TIP3 8395 38.212 93.654 -2.882 1.00 0.00 WT7 O ATOM 55607 H1 TIP3 8395 37.470 93.058 -2.787 1.00 0.00 WT7 H ATOM 55608 H2 TIP3 8395 38.035 94.131 -3.692 1.00 0.00 WT7 H ATOM 55609 OH2 TIP3 8403 24.564 51.748 65.440 1.00 0.00 WT7 O ATOM 55610 H1 TIP3 8403 25.232 51.878 66.113 1.00 0.00 WT7 H ATOM 55611 H2 TIP3 8403 24.000 51.059 65.791 1.00 0.00 WT7 H ATOM 55612 OH2 TIP3 8408 22.687 86.158 49.657 1.00 0.00 WT7 O ATOM 55613 H1 TIP3 8408 22.562 87.107 49.674 1.00 0.00 WT7 H ATOM 55614 H2 TIP3 8408 23.410 86.022 49.046 1.00 0.00 WT7 H ATOM 55615 OH2 TIP3 8411 60.148 82.386 0.145 1.00 0.00 WT7 O ATOM 55616 H1 TIP3 8411 59.217 82.193 0.252 1.00 0.00 WT7 H ATOM 55617 H2 TIP3 8411 60.515 82.295 1.025 1.00 0.00 WT7 H ATOM 55618 OH2 TIP3 8414 78.394 86.477 46.309 1.00 0.00 WT7 O ATOM 55619 H1 TIP3 8414 78.502 86.961 45.490 1.00 0.00 WT7 H ATOM 55620 H2 TIP3 8414 77.922 85.683 46.058 1.00 0.00 WT7 H ATOM 55621 OH2 TIP3 8419 64.659 57.431 -7.055 1.00 0.00 WT7 O ATOM 55622 H1 TIP3 8419 65.556 57.656 -6.809 1.00 0.00 WT7 H ATOM 55623 H2 TIP3 8419 64.169 57.462 -6.233 1.00 0.00 WT7 H ATOM 55624 OH2 TIP3 8425 37.872 58.162 28.677 1.00 0.00 WT7 O ATOM 55625 H1 TIP3 8425 37.543 59.031 28.445 1.00 0.00 WT7 H ATOM 55626 H2 TIP3 8425 38.722 58.328 29.085 1.00 0.00 WT7 H ATOM 55627 OH2 TIP3 8440 54.777 55.126 -15.701 1.00 0.00 WT7 O ATOM 55628 H1 TIP3 8440 55.097 55.991 -15.957 1.00 0.00 WT7 H ATOM 55629 H2 TIP3 8440 55.517 54.722 -15.247 1.00 0.00 WT7 H ATOM 55630 OH2 TIP3 8448 45.309 91.591 23.082 1.00 0.00 WT7 O ATOM 55631 H1 TIP3 8448 45.382 91.285 23.986 1.00 0.00 WT7 H ATOM 55632 H2 TIP3 8448 45.206 90.791 22.567 1.00 0.00 WT7 H ATOM 55633 OH2 TIP3 8452 76.356 96.309 -14.558 1.00 0.00 WT7 O ATOM 55634 H1 TIP3 8452 75.853 95.496 -14.592 1.00 0.00 WT7 H ATOM 55635 H2 TIP3 8452 76.820 96.270 -13.722 1.00 0.00 WT7 H ATOM 55636 OH2 TIP3 8459 36.868 15.915 46.878 1.00 0.00 WT7 O ATOM 55637 H1 TIP3 8459 36.981 15.420 47.689 1.00 0.00 WT7 H ATOM 55638 H2 TIP3 8459 37.591 15.630 46.319 1.00 0.00 WT7 H ATOM 55639 OH2 TIP3 8466 89.758 94.361 34.321 1.00 0.00 WT7 O ATOM 55640 H1 TIP3 8466 90.042 94.244 35.228 1.00 0.00 WT7 H ATOM 55641 H2 TIP3 8466 89.194 95.134 34.345 1.00 0.00 WT7 H ATOM 55642 OH2 TIP3 8468 72.687 62.764 -18.341 1.00 0.00 WT7 O ATOM 55643 H1 TIP3 8468 72.352 63.646 -18.182 1.00 0.00 WT7 H ATOM 55644 H2 TIP3 8468 72.532 62.297 -17.520 1.00 0.00 WT7 H ATOM 55645 OH2 TIP3 8492 85.197 91.003 25.168 1.00 0.00 WT7 O ATOM 55646 H1 TIP3 8492 84.927 91.622 24.491 1.00 0.00 WT7 H ATOM 55647 H2 TIP3 8492 85.647 90.306 24.690 1.00 0.00 WT7 H ATOM 55648 OH2 TIP3 8500 79.508 85.819 62.412 1.00 0.00 WT7 O ATOM 55649 H1 TIP3 8500 79.270 85.053 61.890 1.00 0.00 WT7 H ATOM 55650 H2 TIP3 8500 79.130 85.648 63.274 1.00 0.00 WT7 H ATOM 55651 OH2 TIP3 8518 87.567 51.310 62.852 1.00 0.00 WT7 O ATOM 55652 H1 TIP3 8518 88.354 51.851 62.794 1.00 0.00 WT7 H ATOM 55653 H2 TIP3 8518 87.806 50.601 63.450 1.00 0.00 WT7 H ATOM 55654 OH2 TIP3 8520 84.708 55.412 25.291 1.00 0.00 WT7 O ATOM 55655 H1 TIP3 8520 84.643 54.457 25.269 1.00 0.00 WT7 H ATOM 55656 H2 TIP3 8520 83.802 55.713 25.355 1.00 0.00 WT7 H ATOM 55657 OH2 TIP3 8534 81.697 88.703 9.607 1.00 0.00 WT7 O ATOM 55658 H1 TIP3 8534 80.746 88.739 9.714 1.00 0.00 WT7 H ATOM 55659 H2 TIP3 8534 81.984 88.042 10.237 1.00 0.00 WT7 H ATOM 55660 OH2 TIP3 8536 77.455 79.035 24.802 1.00 0.00 WT7 O ATOM 55661 H1 TIP3 8536 77.590 79.259 23.882 1.00 0.00 WT7 H ATOM 55662 H2 TIP3 8536 77.199 79.860 25.215 1.00 0.00 WT7 H ATOM 55663 OH2 TIP3 8537 88.820 88.660 59.698 1.00 0.00 WT7 O ATOM 55664 H1 TIP3 8537 89.247 87.917 60.126 1.00 0.00 WT7 H ATOM 55665 H2 TIP3 8537 88.436 88.290 58.903 1.00 0.00 WT7 H ATOM 55666 OH2 TIP3 8549 63.365 91.901 -4.736 1.00 0.00 WT7 O ATOM 55667 H1 TIP3 8549 63.902 92.690 -4.811 1.00 0.00 WT7 H ATOM 55668 H2 TIP3 8549 63.484 91.615 -3.830 1.00 0.00 WT7 H ATOM 55669 OH2 TIP3 8556 61.732 13.858 20.501 1.00 0.00 WT7 O ATOM 55670 H1 TIP3 8556 62.406 13.193 20.642 1.00 0.00 WT7 H ATOM 55671 H2 TIP3 8556 62.164 14.528 19.971 1.00 0.00 WT7 H ATOM 55672 OH2 TIP3 8558 42.695 28.395 58.383 1.00 0.00 WT7 O ATOM 55673 H1 TIP3 8558 42.846 29.229 58.828 1.00 0.00 WT7 H ATOM 55674 H2 TIP3 8558 42.454 27.789 59.084 1.00 0.00 WT7 H ATOM 55675 OH2 TIP3 8560 58.469 4.361 67.070 1.00 0.00 WT7 O ATOM 55676 H1 TIP3 8560 59.113 4.687 67.699 1.00 0.00 WT7 H ATOM 55677 H2 TIP3 8560 58.895 4.455 66.219 1.00 0.00 WT7 H ATOM 55678 OH2 TIP3 8566 73.195 54.755 -11.386 1.00 0.00 WT7 O ATOM 55679 H1 TIP3 8566 72.540 55.453 -11.369 1.00 0.00 WT7 H ATOM 55680 H2 TIP3 8566 72.699 53.956 -11.206 1.00 0.00 WT7 H ATOM 55681 OH2 TIP3 8567 90.936 19.475 -1.914 1.00 0.00 WT7 O ATOM 55682 H1 TIP3 8567 90.137 19.364 -1.399 1.00 0.00 WT7 H ATOM 55683 H2 TIP3 8567 91.009 20.420 -2.044 1.00 0.00 WT7 H ATOM 55684 OH2 TIP3 8574 34.184 32.186 53.766 1.00 0.00 WT7 O ATOM 55685 H1 TIP3 8574 33.243 32.317 53.648 1.00 0.00 WT7 H ATOM 55686 H2 TIP3 8574 34.400 31.457 53.184 1.00 0.00 WT7 H ATOM 55687 OH2 TIP3 8585 83.352 7.350 55.295 1.00 0.00 WT7 O ATOM 55688 H1 TIP3 8585 83.109 7.907 56.035 1.00 0.00 WT7 H ATOM 55689 H2 TIP3 8585 83.451 6.477 55.674 1.00 0.00 WT7 H ATOM 55690 OH2 TIP3 8600 64.599 6.405 66.338 1.00 0.00 WT7 O ATOM 55691 H1 TIP3 8600 65.219 5.696 66.163 1.00 0.00 WT7 H ATOM 55692 H2 TIP3 8600 64.064 6.456 65.546 1.00 0.00 WT7 H ATOM 55693 OH2 TIP3 8626 67.187 3.981 32.116 1.00 0.00 WT7 O ATOM 55694 H1 TIP3 8626 67.738 3.325 32.541 1.00 0.00 WT7 H ATOM 55695 H2 TIP3 8626 66.828 3.534 31.349 1.00 0.00 WT7 H ATOM 55696 OH2 TIP3 8645 20.470 71.662 35.652 1.00 0.00 WT7 O ATOM 55697 H1 TIP3 8645 21.377 71.966 35.629 1.00 0.00 WT7 H ATOM 55698 H2 TIP3 8645 20.343 71.222 34.811 1.00 0.00 WT7 H ATOM 55699 OH2 TIP3 8813 31.324 28.558 60.806 1.00 0.00 WT7 O ATOM 55700 H1 TIP3 8813 31.746 28.037 61.490 1.00 0.00 WT7 H ATOM 55701 H2 TIP3 8813 31.983 28.623 60.114 1.00 0.00 WT7 H ATOM 55702 OH2 TIP3 8822 51.195 79.633 57.904 1.00 0.00 WT7 O ATOM 55703 H1 TIP3 8822 51.266 80.156 58.703 1.00 0.00 WT7 H ATOM 55704 H2 TIP3 8822 52.055 79.225 57.807 1.00 0.00 WT7 H ATOM 55705 OH2 TIP3 8824 86.581 85.874 54.537 1.00 0.00 WT7 O ATOM 55706 H1 TIP3 8824 87.480 85.906 54.864 1.00 0.00 WT7 H ATOM 55707 H2 TIP3 8824 86.633 86.245 53.655 1.00 0.00 WT7 H ATOM 55708 OH2 TIP3 8829 20.486 6.311 46.183 1.00 0.00 WT7 O ATOM 55709 H1 TIP3 8829 20.100 5.499 46.511 1.00 0.00 WT7 H ATOM 55710 H2 TIP3 8829 21.361 6.334 46.570 1.00 0.00 WT7 H ATOM 55711 OH2 TIP3 8833 33.182 45.315 50.845 1.00 0.00 WT7 O ATOM 55712 H1 TIP3 8833 34.026 44.972 50.550 1.00 0.00 WT7 H ATOM 55713 H2 TIP3 8833 33.397 45.859 51.603 1.00 0.00 WT7 H ATOM 55714 OH2 TIP3 8838 66.313 6.734 45.334 1.00 0.00 WT7 O ATOM 55715 H1 TIP3 8838 65.416 6.400 45.353 1.00 0.00 WT7 H ATOM 55716 H2 TIP3 8838 66.859 5.967 45.506 1.00 0.00 WT7 H ATOM 55717 OH2 TIP3 8845 46.622 65.744 0.329 1.00 0.00 WT7 O ATOM 55718 H1 TIP3 8845 46.592 64.870 -0.060 1.00 0.00 WT7 H ATOM 55719 H2 TIP3 8845 47.206 65.651 1.082 1.00 0.00 WT7 H ATOM 55720 OH2 TIP3 8855 34.609 18.011 54.377 1.00 0.00 WT7 O ATOM 55721 H1 TIP3 8855 35.403 18.271 54.845 1.00 0.00 WT7 H ATOM 55722 H2 TIP3 8855 34.893 17.307 53.795 1.00 0.00 WT7 H ATOM 55723 OH2 TIP3 8864 82.847 56.093 38.330 1.00 0.00 WT7 O ATOM 55724 H1 TIP3 8864 82.886 56.900 38.843 1.00 0.00 WT7 H ATOM 55725 H2 TIP3 8864 82.244 55.529 38.814 1.00 0.00 WT7 H ATOM 55726 OH2 TIP3 8870 62.274 4.243 16.538 1.00 0.00 WT7 O ATOM 55727 H1 TIP3 8870 63.035 4.772 16.298 1.00 0.00 WT7 H ATOM 55728 H2 TIP3 8870 62.615 3.602 17.161 1.00 0.00 WT7 H ATOM 55729 OH2 TIP3 8879 42.250 23.072 53.845 1.00 0.00 WT7 O ATOM 55730 H1 TIP3 8879 41.567 22.721 53.273 1.00 0.00 WT7 H ATOM 55731 H2 TIP3 8879 42.973 22.450 53.764 1.00 0.00 WT7 H ATOM 55732 OH2 TIP3 8892 25.887 2.981 65.498 1.00 0.00 WT7 O ATOM 55733 H1 TIP3 8892 25.239 3.579 65.125 1.00 0.00 WT7 H ATOM 55734 H2 TIP3 8892 26.521 2.844 64.794 1.00 0.00 WT7 H ATOM 55735 OH2 TIP3 8893 83.857 44.146 55.533 1.00 0.00 WT7 O ATOM 55736 H1 TIP3 8893 83.901 45.080 55.734 1.00 0.00 WT7 H ATOM 55737 H2 TIP3 8893 82.936 43.916 55.659 1.00 0.00 WT7 H ATOM 55738 OH2 TIP3 8894 51.673 12.050 11.879 1.00 0.00 WT7 O ATOM 55739 H1 TIP3 8894 50.787 12.412 11.887 1.00 0.00 WT7 H ATOM 55740 H2 TIP3 8894 52.144 12.554 12.542 1.00 0.00 WT7 H ATOM 55741 OH2 TIP3 8904 63.855 94.083 5.152 1.00 0.00 WT7 O ATOM 55742 H1 TIP3 8904 63.172 93.412 5.179 1.00 0.00 WT7 H ATOM 55743 H2 TIP3 8904 64.616 93.667 5.557 1.00 0.00 WT7 H ATOM 55744 OH2 TIP3 8920 74.623 45.449 33.825 1.00 0.00 WT7 O ATOM 55745 H1 TIP3 8920 74.167 46.290 33.806 1.00 0.00 WT7 H ATOM 55746 H2 TIP3 8920 74.217 44.939 33.125 1.00 0.00 WT7 H ATOM 55747 OH2 TIP3 8927 52.160 28.982 -16.060 1.00 0.00 WT7 O ATOM 55748 H1 TIP3 8927 52.645 28.899 -15.239 1.00 0.00 WT7 H ATOM 55749 H2 TIP3 8927 51.922 29.908 -16.106 1.00 0.00 WT7 H ATOM 55750 OH2 TIP3 8935 72.006 16.471 9.927 1.00 0.00 WT7 O ATOM 55751 H1 TIP3 8935 71.403 17.196 10.090 1.00 0.00 WT7 H ATOM 55752 H2 TIP3 8935 71.900 16.275 8.996 1.00 0.00 WT7 H ATOM 55753 OH2 TIP3 8937 53.142 73.161 29.695 1.00 0.00 WT7 O ATOM 55754 H1 TIP3 8937 53.848 72.654 29.295 1.00 0.00 WT7 H ATOM 55755 H2 TIP3 8937 52.653 72.522 30.214 1.00 0.00 WT7 H ATOM 55756 OH2 TIP3 8938 41.096 75.027 4.256 1.00 0.00 WT7 O ATOM 55757 H1 TIP3 8938 41.197 74.347 3.590 1.00 0.00 WT7 H ATOM 55758 H2 TIP3 8938 40.850 74.552 5.049 1.00 0.00 WT7 H ATOM 55759 OH2 TIP3 8939 28.256 10.115 -2.505 1.00 0.00 WT7 O ATOM 55760 H1 TIP3 8939 28.214 10.247 -1.558 1.00 0.00 WT7 H ATOM 55761 H2 TIP3 8939 28.794 10.839 -2.824 1.00 0.00 WT7 H ATOM 55762 OH2 TIP3 8942 21.611 94.465 18.566 1.00 0.00 WT7 O ATOM 55763 H1 TIP3 8942 20.894 95.087 18.447 1.00 0.00 WT7 H ATOM 55764 H2 TIP3 8942 22.359 94.875 18.132 1.00 0.00 WT7 H ATOM 55765 OH2 TIP3 8956 49.556 25.745 -15.793 1.00 0.00 WT7 O ATOM 55766 H1 TIP3 8956 49.390 26.160 -14.946 1.00 0.00 WT7 H ATOM 55767 H2 TIP3 8956 50.152 25.023 -15.593 1.00 0.00 WT7 H ATOM 55768 OH2 TIP3 8960 88.113 77.067 24.261 1.00 0.00 WT7 O ATOM 55769 H1 TIP3 8960 87.254 76.691 24.451 1.00 0.00 WT7 H ATOM 55770 H2 TIP3 8960 88.679 76.734 24.957 1.00 0.00 WT7 H ATOM 55771 OH2 TIP3 8972 81.467 46.118 66.684 1.00 0.00 WT7 O ATOM 55772 H1 TIP3 8972 81.530 45.163 66.725 1.00 0.00 WT7 H ATOM 55773 H2 TIP3 8972 80.760 46.286 66.061 1.00 0.00 WT7 H ATOM 55774 OH2 TIP3 8973 25.465 60.695 -18.057 1.00 0.00 WT7 O ATOM 55775 H1 TIP3 8973 24.700 60.250 -17.693 1.00 0.00 WT7 H ATOM 55776 H2 TIP3 8973 25.537 60.358 -18.950 1.00 0.00 WT7 H ATOM 55777 OH2 TIP3 8977 20.935 38.526 -6.147 1.00 0.00 WT7 O ATOM 55778 H1 TIP3 8977 21.881 38.453 -6.021 1.00 0.00 WT7 H ATOM 55779 H2 TIP3 8977 20.810 38.423 -7.090 1.00 0.00 WT7 H ATOM 55780 OH2 TIP3 8982 81.043 95.897 -12.552 1.00 0.00 WT7 O ATOM 55781 H1 TIP3 8982 81.259 96.141 -13.452 1.00 0.00 WT7 H ATOM 55782 H2 TIP3 8982 81.382 96.617 -12.021 1.00 0.00 WT7 H ATOM 55783 OH2 TIP3 8984 39.607 74.631 20.139 1.00 0.00 WT7 O ATOM 55784 H1 TIP3 8984 39.921 74.714 21.039 1.00 0.00 WT7 H ATOM 55785 H2 TIP3 8984 40.058 73.858 19.798 1.00 0.00 WT7 H ATOM 55786 OH2 TIP3 8988 68.422 90.396 53.829 1.00 0.00 WT7 O ATOM 55787 H1 TIP3 8988 68.734 90.972 54.528 1.00 0.00 WT7 H ATOM 55788 H2 TIP3 8988 68.553 89.512 54.171 1.00 0.00 WT7 H ATOM 55789 OH2 TIP3 9017 71.536 19.241 7.536 1.00 0.00 WT7 O ATOM 55790 H1 TIP3 9017 70.907 18.595 7.857 1.00 0.00 WT7 H ATOM 55791 H2 TIP3 9017 71.394 20.010 8.088 1.00 0.00 WT7 H ATOM 55792 OH2 TIP3 9022 72.968 21.177 4.983 1.00 0.00 WT7 O ATOM 55793 H1 TIP3 9022 72.453 20.520 5.451 1.00 0.00 WT7 H ATOM 55794 H2 TIP3 9022 72.356 21.896 4.828 1.00 0.00 WT7 H ATOM 55795 OH2 TIP3 9047 76.748 84.247 -11.262 1.00 0.00 WT7 O ATOM 55796 H1 TIP3 9047 75.994 83.664 -11.177 1.00 0.00 WT7 H ATOM 55797 H2 TIP3 9047 76.715 84.798 -10.481 1.00 0.00 WT7 H ATOM 55798 OH2 TIP3 9055 24.929 63.390 -17.937 1.00 0.00 WT7 O ATOM 55799 H1 TIP3 9055 25.020 63.655 -17.022 1.00 0.00 WT7 H ATOM 55800 H2 TIP3 9055 25.170 62.464 -17.944 1.00 0.00 WT7 H ATOM 55801 OH2 TIP3 9063 51.270 60.629 54.692 1.00 0.00 WT7 O ATOM 55802 H1 TIP3 9063 50.761 59.862 54.429 1.00 0.00 WT7 H ATOM 55803 H2 TIP3 9063 51.156 61.250 53.972 1.00 0.00 WT7 H ATOM 55804 OH2 TIP3 9068 20.840 37.643 -17.899 1.00 0.00 WT7 O ATOM 55805 H1 TIP3 9068 21.461 37.455 -17.196 1.00 0.00 WT7 H ATOM 55806 H2 TIP3 9068 20.621 38.568 -17.784 1.00 0.00 WT7 H ATOM 55807 OH2 TIP3 9096 64.446 40.649 -15.170 1.00 0.00 WT7 O ATOM 55808 H1 TIP3 9096 64.143 41.000 -16.007 1.00 0.00 WT7 H ATOM 55809 H2 TIP3 9096 64.867 39.820 -15.395 1.00 0.00 WT7 H ATOM 55810 OH2 TIP3 9178 42.632 78.670 57.450 1.00 0.00 WT7 O ATOM 55811 H1 TIP3 9178 42.058 78.501 56.703 1.00 0.00 WT7 H ATOM 55812 H2 TIP3 9178 42.276 79.464 57.851 1.00 0.00 WT7 H ATOM 55813 OH2 TIP3 9250 26.482 8.614 2.504 1.00 0.00 WT7 O ATOM 55814 H1 TIP3 9250 26.942 9.454 2.521 1.00 0.00 WT7 H ATOM 55815 H2 TIP3 9250 26.622 8.282 1.617 1.00 0.00 WT7 H ATOM 55816 OH2 TIP3 5 70.270 58.054 24.077 1.00 0.00 WT8 O ATOM 55817 H1 TIP3 5 69.402 57.707 23.869 1.00 0.00 WT8 H ATOM 55818 H2 TIP3 5 70.142 58.558 24.880 1.00 0.00 WT8 H ATOM 55819 OH2 TIP3 44 52.903 84.433 66.518 1.00 0.00 WT8 O ATOM 55820 H1 TIP3 44 53.479 84.048 67.179 1.00 0.00 WT8 H ATOM 55821 H2 TIP3 44 52.235 83.764 66.363 1.00 0.00 WT8 H ATOM 55822 OH2 TIP3 48 46.195 89.799 42.842 1.00 0.00 WT8 O ATOM 55823 H1 TIP3 48 46.080 90.742 42.955 1.00 0.00 WT8 H ATOM 55824 H2 TIP3 48 46.173 89.666 41.895 1.00 0.00 WT8 H ATOM 55825 OH2 TIP3 67 72.235 24.156 0.401 1.00 0.00 WT8 O ATOM 55826 H1 TIP3 67 72.766 23.788 -0.306 1.00 0.00 WT8 H ATOM 55827 H2 TIP3 67 72.864 24.611 0.961 1.00 0.00 WT8 H ATOM 55828 OH2 TIP3 87 36.397 85.949 52.186 1.00 0.00 WT8 O ATOM 55829 H1 TIP3 87 36.332 86.265 53.087 1.00 0.00 WT8 H ATOM 55830 H2 TIP3 87 35.726 86.439 51.711 1.00 0.00 WT8 H ATOM 55831 OH2 TIP3 113 53.376 20.340 67.218 1.00 0.00 WT8 O ATOM 55832 H1 TIP3 113 53.634 19.909 66.402 1.00 0.00 WT8 H ATOM 55833 H2 TIP3 113 52.712 20.977 66.954 1.00 0.00 WT8 H ATOM 55834 OH2 TIP3 149 63.775 94.016 13.595 1.00 0.00 WT8 O ATOM 55835 H1 TIP3 149 64.604 93.652 13.908 1.00 0.00 WT8 H ATOM 55836 H2 TIP3 149 63.130 93.331 13.772 1.00 0.00 WT8 H ATOM 55837 OH2 TIP3 150 87.614 45.675 55.585 1.00 0.00 WT8 O ATOM 55838 H1 TIP3 150 88.420 45.703 56.100 1.00 0.00 WT8 H ATOM 55839 H2 TIP3 150 87.559 46.540 55.178 1.00 0.00 WT8 H ATOM 55840 OH2 TIP3 167 60.751 59.955 28.509 1.00 0.00 WT8 O ATOM 55841 H1 TIP3 167 60.463 60.349 27.686 1.00 0.00 WT8 H ATOM 55842 H2 TIP3 167 59.943 59.799 28.997 1.00 0.00 WT8 H ATOM 55843 OH2 TIP3 175 71.831 70.139 40.284 1.00 0.00 WT8 O ATOM 55844 H1 TIP3 175 72.584 69.666 40.639 1.00 0.00 WT8 H ATOM 55845 H2 TIP3 175 71.088 69.554 40.433 1.00 0.00 WT8 H ATOM 55846 OH2 TIP3 237 72.579 36.368 5.787 1.00 0.00 WT8 O ATOM 55847 H1 TIP3 237 71.812 35.805 5.890 1.00 0.00 WT8 H ATOM 55848 H2 TIP3 237 72.889 36.518 6.680 1.00 0.00 WT8 H ATOM 55849 OH2 TIP3 449 84.259 82.902 41.453 1.00 0.00 WT8 O ATOM 55850 H1 TIP3 449 85.004 83.503 41.451 1.00 0.00 WT8 H ATOM 55851 H2 TIP3 449 83.705 83.205 40.734 1.00 0.00 WT8 H ATOM 55852 OH2 TIP3 485 28.288 9.558 30.062 1.00 0.00 WT8 O ATOM 55853 H1 TIP3 485 27.691 9.502 29.315 1.00 0.00 WT8 H ATOM 55854 H2 TIP3 485 28.444 10.495 30.174 1.00 0.00 WT8 H ATOM 55855 OH2 TIP3 486 35.523 81.833 58.306 1.00 0.00 WT8 O ATOM 55856 H1 TIP3 486 34.802 81.973 58.919 1.00 0.00 WT8 H ATOM 55857 H2 TIP3 486 35.187 82.143 57.465 1.00 0.00 WT8 H ATOM 55858 OH2 TIP3 489 33.700 66.242 14.958 1.00 0.00 WT8 O ATOM 55859 H1 TIP3 489 33.490 66.318 15.889 1.00 0.00 WT8 H ATOM 55860 H2 TIP3 489 34.313 65.507 14.910 1.00 0.00 WT8 H ATOM 55861 OH2 TIP3 503 41.433 25.425 3.864 1.00 0.00 WT8 O ATOM 55862 H1 TIP3 503 41.968 25.049 3.165 1.00 0.00 WT8 H ATOM 55863 H2 TIP3 503 41.497 24.794 4.581 1.00 0.00 WT8 H ATOM 55864 OH2 TIP3 506 24.961 67.101 5.030 1.00 0.00 WT8 O ATOM 55865 H1 TIP3 506 25.641 67.722 5.290 1.00 0.00 WT8 H ATOM 55866 H2 TIP3 506 24.150 67.472 5.378 1.00 0.00 WT8 H ATOM 55867 OH2 TIP3 509 64.427 41.558 -17.732 1.00 0.00 WT8 O ATOM 55868 H1 TIP3 509 65.038 41.840 -18.414 1.00 0.00 WT8 H ATOM 55869 H2 TIP3 509 63.575 41.541 -18.167 1.00 0.00 WT8 H ATOM 55870 OH2 TIP3 511 39.399 70.139 -4.010 1.00 0.00 WT8 O ATOM 55871 H1 TIP3 511 38.670 69.846 -3.463 1.00 0.00 WT8 H ATOM 55872 H2 TIP3 511 40.178 69.982 -3.476 1.00 0.00 WT8 H ATOM 55873 OH2 TIP3 548 62.702 52.341 41.388 1.00 0.00 WT8 O ATOM 55874 H1 TIP3 548 62.005 52.582 40.778 1.00 0.00 WT8 H ATOM 55875 H2 TIP3 548 62.680 53.022 42.060 1.00 0.00 WT8 H ATOM 55876 OH2 TIP3 550 89.638 93.992 30.223 1.00 0.00 WT8 O ATOM 55877 H1 TIP3 550 90.214 93.337 30.617 1.00 0.00 WT8 H ATOM 55878 H2 TIP3 550 90.204 94.749 30.073 1.00 0.00 WT8 H ATOM 55879 OH2 TIP3 551 57.568 80.253 66.194 1.00 0.00 WT8 O ATOM 55880 H1 TIP3 551 58.489 80.422 65.995 1.00 0.00 WT8 H ATOM 55881 H2 TIP3 551 57.459 79.313 66.047 1.00 0.00 WT8 H ATOM 55882 OH2 TIP3 562 75.842 67.622 -16.475 1.00 0.00 WT8 O ATOM 55883 H1 TIP3 562 74.913 67.535 -16.263 1.00 0.00 WT8 H ATOM 55884 H2 TIP3 562 75.915 68.485 -16.882 1.00 0.00 WT8 H ATOM 55885 OH2 TIP3 573 42.673 96.190 -10.353 1.00 0.00 WT8 O ATOM 55886 H1 TIP3 573 43.302 96.346 -9.649 1.00 0.00 WT8 H ATOM 55887 H2 TIP3 573 42.224 97.027 -10.463 1.00 0.00 WT8 H ATOM 55888 OH2 TIP3 575 72.816 5.781 52.537 1.00 0.00 WT8 O ATOM 55889 H1 TIP3 575 72.515 5.883 51.634 1.00 0.00 WT8 H ATOM 55890 H2 TIP3 575 72.100 5.323 52.978 1.00 0.00 WT8 H ATOM 55891 OH2 TIP3 584 41.267 93.607 26.168 1.00 0.00 WT8 O ATOM 55892 H1 TIP3 584 41.019 94.395 26.653 1.00 0.00 WT8 H ATOM 55893 H2 TIP3 584 40.794 93.678 25.339 1.00 0.00 WT8 H ATOM 55894 OH2 TIP3 591 70.088 60.470 56.945 1.00 0.00 WT8 O ATOM 55895 H1 TIP3 591 69.519 60.619 56.189 1.00 0.00 WT8 H ATOM 55896 H2 TIP3 591 69.921 61.216 57.521 1.00 0.00 WT8 H ATOM 55897 OH2 TIP3 593 72.756 29.831 35.431 1.00 0.00 WT8 O ATOM 55898 H1 TIP3 593 72.318 30.657 35.636 1.00 0.00 WT8 H ATOM 55899 H2 TIP3 593 72.446 29.607 34.553 1.00 0.00 WT8 H ATOM 55900 OH2 TIP3 594 30.014 19.835 -9.905 1.00 0.00 WT8 O ATOM 55901 H1 TIP3 594 30.764 19.770 -9.313 1.00 0.00 WT8 H ATOM 55902 H2 TIP3 594 29.261 19.598 -9.365 1.00 0.00 WT8 H ATOM 55903 OH2 TIP3 822 76.435 62.253 56.966 1.00 0.00 WT8 O ATOM 55904 H1 TIP3 822 75.963 61.989 57.755 1.00 0.00 WT8 H ATOM 55905 H2 TIP3 822 76.001 61.778 56.257 1.00 0.00 WT8 H ATOM 55906 OH2 TIP3 892 29.401 52.353 36.367 1.00 0.00 WT8 O ATOM 55907 H1 TIP3 892 29.542 53.233 36.718 1.00 0.00 WT8 H ATOM 55908 H2 TIP3 892 29.234 52.491 35.434 1.00 0.00 WT8 H ATOM 55909 OH2 TIP3 908 46.167 52.274 5.194 1.00 0.00 WT8 O ATOM 55910 H1 TIP3 908 46.710 52.876 4.685 1.00 0.00 WT8 H ATOM 55911 H2 TIP3 908 46.411 52.442 6.104 1.00 0.00 WT8 H ATOM 55912 OH2 TIP3 928 70.353 84.791 23.775 1.00 0.00 WT8 O ATOM 55913 H1 TIP3 928 69.473 85.167 23.782 1.00 0.00 WT8 H ATOM 55914 H2 TIP3 928 70.210 83.846 23.834 1.00 0.00 WT8 H ATOM 55915 OH2 TIP3 930 32.576 48.069 50.652 1.00 0.00 WT8 O ATOM 55916 H1 TIP3 930 33.072 48.662 50.088 1.00 0.00 WT8 H ATOM 55917 H2 TIP3 930 32.241 47.397 50.058 1.00 0.00 WT8 H ATOM 55918 OH2 TIP3 987 55.225 77.516 62.276 1.00 0.00 WT8 O ATOM 55919 H1 TIP3 987 55.185 78.391 62.660 1.00 0.00 WT8 H ATOM 55920 H2 TIP3 987 54.369 77.131 62.463 1.00 0.00 WT8 H ATOM 55921 OH2 TIP3 993 72.528 11.713 48.390 1.00 0.00 WT8 O ATOM 55922 H1 TIP3 993 71.679 11.270 48.406 1.00 0.00 WT8 H ATOM 55923 H2 TIP3 993 72.320 12.635 48.544 1.00 0.00 WT8 H ATOM 55924 OH2 TIP3 1013 70.241 14.122 3.838 1.00 0.00 WT8 O ATOM 55925 H1 TIP3 1013 70.887 13.611 4.326 1.00 0.00 WT8 H ATOM 55926 H2 TIP3 1013 69.605 13.475 3.532 1.00 0.00 WT8 H ATOM 55927 OH2 TIP3 1018 48.775 83.572 -8.993 1.00 0.00 WT8 O ATOM 55928 H1 TIP3 1018 48.217 83.238 -8.290 1.00 0.00 WT8 H ATOM 55929 H2 TIP3 1018 48.225 83.529 -9.776 1.00 0.00 WT8 H ATOM 55930 OH2 TIP3 1076 27.837 5.815 57.924 1.00 0.00 WT8 O ATOM 55931 H1 TIP3 1076 28.444 5.641 57.204 1.00 0.00 WT8 H ATOM 55932 H2 TIP3 1076 28.145 6.639 58.303 1.00 0.00 WT8 H ATOM 55933 OH2 TIP3 1098 55.444 10.155 58.542 1.00 0.00 WT8 O ATOM 55934 H1 TIP3 1098 54.789 10.788 58.249 1.00 0.00 WT8 H ATOM 55935 H2 TIP3 1098 55.107 9.308 58.250 1.00 0.00 WT8 H ATOM 55936 OH2 TIP3 1122 61.398 83.949 50.859 1.00 0.00 WT8 O ATOM 55937 H1 TIP3 1122 60.915 83.628 50.098 1.00 0.00 WT8 H ATOM 55938 H2 TIP3 1122 60.797 83.827 51.594 1.00 0.00 WT8 H ATOM 55939 OH2 TIP3 1138 56.888 90.867 26.162 1.00 0.00 WT8 O ATOM 55940 H1 TIP3 1138 56.693 89.951 26.360 1.00 0.00 WT8 H ATOM 55941 H2 TIP3 1138 56.876 90.914 25.206 1.00 0.00 WT8 H ATOM 55942 OH2 TIP3 1301 87.186 75.072 32.585 1.00 0.00 WT8 O ATOM 55943 H1 TIP3 1301 87.668 75.641 31.985 1.00 0.00 WT8 H ATOM 55944 H2 TIP3 1301 86.303 75.029 32.218 1.00 0.00 WT8 H ATOM 55945 OH2 TIP3 1354 65.078 55.792 65.533 1.00 0.00 WT8 O ATOM 55946 H1 TIP3 1354 64.844 56.202 64.700 1.00 0.00 WT8 H ATOM 55947 H2 TIP3 1354 64.419 56.109 66.150 1.00 0.00 WT8 H ATOM 55948 OH2 TIP3 1370 78.745 39.002 50.388 1.00 0.00 WT8 O ATOM 55949 H1 TIP3 1370 79.504 39.006 49.805 1.00 0.00 WT8 H ATOM 55950 H2 TIP3 1370 78.096 39.546 49.941 1.00 0.00 WT8 H ATOM 55951 OH2 TIP3 1387 80.562 73.646 25.335 1.00 0.00 WT8 O ATOM 55952 H1 TIP3 1387 81.203 73.067 25.748 1.00 0.00 WT8 H ATOM 55953 H2 TIP3 1387 79.715 73.258 25.550 1.00 0.00 WT8 H ATOM 55954 OH2 TIP3 1408 66.695 24.430 65.646 1.00 0.00 WT8 O ATOM 55955 H1 TIP3 1408 66.291 24.636 64.803 1.00 0.00 WT8 H ATOM 55956 H2 TIP3 1408 66.618 25.239 66.152 1.00 0.00 WT8 H ATOM 55957 OH2 TIP3 1414 39.114 92.063 65.231 1.00 0.00 WT8 O ATOM 55958 H1 TIP3 1414 39.724 92.801 65.213 1.00 0.00 WT8 H ATOM 55959 H2 TIP3 1414 39.466 91.446 64.590 1.00 0.00 WT8 H ATOM 55960 OH2 TIP3 1429 78.528 57.596 44.502 1.00 0.00 WT8 O ATOM 55961 H1 TIP3 1429 78.826 58.319 45.053 1.00 0.00 WT8 H ATOM 55962 H2 TIP3 1429 77.574 57.610 44.583 1.00 0.00 WT8 H ATOM 55963 OH2 TIP3 1433 90.040 10.776 53.096 1.00 0.00 WT8 O ATOM 55964 H1 TIP3 1433 89.778 11.034 52.212 1.00 0.00 WT8 H ATOM 55965 H2 TIP3 1433 90.068 11.597 53.587 1.00 0.00 WT8 H ATOM 55966 OH2 TIP3 1440 43.724 51.929 59.729 1.00 0.00 WT8 O ATOM 55967 H1 TIP3 1440 42.793 52.141 59.800 1.00 0.00 WT8 H ATOM 55968 H2 TIP3 1440 44.126 52.726 59.384 1.00 0.00 WT8 H ATOM 55969 OH2 TIP3 1451 31.728 24.671 10.373 1.00 0.00 WT8 O ATOM 55970 H1 TIP3 1451 31.837 23.945 10.988 1.00 0.00 WT8 H ATOM 55971 H2 TIP3 1451 30.850 25.008 10.553 1.00 0.00 WT8 H ATOM 55972 OH2 TIP3 1480 74.626 34.557 12.578 1.00 0.00 WT8 O ATOM 55973 H1 TIP3 1480 74.148 35.374 12.722 1.00 0.00 WT8 H ATOM 55974 H2 TIP3 1480 74.472 34.045 13.373 1.00 0.00 WT8 H ATOM 55975 OH2 TIP3 1573 65.255 70.227 36.388 1.00 0.00 WT8 O ATOM 55976 H1 TIP3 1573 64.474 70.105 35.849 1.00 0.00 WT8 H ATOM 55977 H2 TIP3 1573 65.812 69.477 36.177 1.00 0.00 WT8 H ATOM 55978 OH2 TIP3 1618 60.782 1.559 65.512 1.00 0.00 WT8 O ATOM 55979 H1 TIP3 1618 61.096 2.276 64.961 1.00 0.00 WT8 H ATOM 55980 H2 TIP3 1618 61.366 0.828 65.311 1.00 0.00 WT8 H ATOM 55981 OH2 TIP3 1725 51.436 24.336 54.733 1.00 0.00 WT8 O ATOM 55982 H1 TIP3 1725 51.506 23.547 54.195 1.00 0.00 WT8 H ATOM 55983 H2 TIP3 1725 52.275 24.390 55.190 1.00 0.00 WT8 H ATOM 55984 OH2 TIP3 1733 44.373 68.288 -18.567 1.00 0.00 WT8 O ATOM 55985 H1 TIP3 1733 44.452 68.156 -19.512 1.00 0.00 WT8 H ATOM 55986 H2 TIP3 1733 45.259 68.153 -18.230 1.00 0.00 WT8 H ATOM 55987 OH2 TIP3 1771 35.477 50.887 52.960 1.00 0.00 WT8 O ATOM 55988 H1 TIP3 1771 34.778 50.703 53.588 1.00 0.00 WT8 H ATOM 55989 H2 TIP3 1771 35.026 51.256 52.201 1.00 0.00 WT8 H ATOM 55990 OH2 TIP3 1849 29.598 77.496 52.213 1.00 0.00 WT8 O ATOM 55991 H1 TIP3 1849 28.807 77.937 51.902 1.00 0.00 WT8 H ATOM 55992 H2 TIP3 1849 29.537 76.612 51.853 1.00 0.00 WT8 H ATOM 55993 OH2 TIP3 1853 36.661 65.242 63.087 1.00 0.00 WT8 O ATOM 55994 H1 TIP3 1853 36.305 64.605 63.707 1.00 0.00 WT8 H ATOM 55995 H2 TIP3 1853 37.084 64.710 62.413 1.00 0.00 WT8 H ATOM 55996 OH2 TIP3 1897 20.659 58.082 -11.708 1.00 0.00 WT8 O ATOM 55997 H1 TIP3 1897 20.454 57.362 -12.304 1.00 0.00 WT8 H ATOM 55998 H2 TIP3 1897 21.588 58.259 -11.855 1.00 0.00 WT8 H ATOM 55999 OH2 TIP3 2231 45.350 37.435 12.868 1.00 0.00 WT8 O ATOM 56000 H1 TIP3 2231 45.084 36.539 12.663 1.00 0.00 WT8 H ATOM 56001 H2 TIP3 2231 45.319 37.482 13.823 1.00 0.00 WT8 H ATOM 56002 OH2 TIP3 2270 31.697 35.349 53.455 1.00 0.00 WT8 O ATOM 56003 H1 TIP3 2270 32.274 36.113 53.420 1.00 0.00 WT8 H ATOM 56004 H2 TIP3 2270 30.964 35.627 54.003 1.00 0.00 WT8 H ATOM 56005 OH2 TIP3 2288 51.350 76.430 -9.216 1.00 0.00 WT8 O ATOM 56006 H1 TIP3 2288 50.446 76.443 -8.902 1.00 0.00 WT8 H ATOM 56007 H2 TIP3 2288 51.298 76.016 -10.078 1.00 0.00 WT8 H ATOM 56008 OH2 TIP3 2293 41.011 90.316 -15.563 1.00 0.00 WT8 O ATOM 56009 H1 TIP3 2293 41.927 90.040 -15.555 1.00 0.00 WT8 H ATOM 56010 H2 TIP3 2293 40.880 90.691 -16.434 1.00 0.00 WT8 H ATOM 56011 OH2 TIP3 2317 77.893 49.868 -5.835 1.00 0.00 WT8 O ATOM 56012 H1 TIP3 2317 77.710 48.930 -5.794 1.00 0.00 WT8 H ATOM 56013 H2 TIP3 2317 77.760 50.178 -4.940 1.00 0.00 WT8 H ATOM 56014 OH2 TIP3 2357 50.266 69.375 59.780 1.00 0.00 WT8 O ATOM 56015 H1 TIP3 2357 49.942 69.424 58.880 1.00 0.00 WT8 H ATOM 56016 H2 TIP3 2357 50.918 70.073 59.839 1.00 0.00 WT8 H ATOM 56017 OH2 TIP3 2358 66.496 70.077 -19.160 1.00 0.00 WT8 O ATOM 56018 H1 TIP3 2358 66.402 70.047 -20.112 1.00 0.00 WT8 H ATOM 56019 H2 TIP3 2358 67.285 70.600 -19.013 1.00 0.00 WT8 H ATOM 56020 OH2 TIP3 2714 36.019 28.383 50.509 1.00 0.00 WT8 O ATOM 56021 H1 TIP3 2714 36.838 28.006 50.187 1.00 0.00 WT8 H ATOM 56022 H2 TIP3 2714 35.522 28.588 49.717 1.00 0.00 WT8 H ATOM 56023 OH2 TIP3 5421 34.681 62.410 -4.642 1.00 0.00 WT8 O ATOM 56024 H1 TIP3 5421 34.718 63.174 -5.217 1.00 0.00 WT8 H ATOM 56025 H2 TIP3 5421 34.421 62.763 -3.791 1.00 0.00 WT8 H ATOM 56026 OH2 TIP3 6240 83.708 60.139 -18.943 1.00 0.00 WT8 O ATOM 56027 H1 TIP3 6240 83.735 59.480 -18.249 1.00 0.00 WT8 H ATOM 56028 H2 TIP3 6240 84.067 59.693 -19.710 1.00 0.00 WT8 H ATOM 56029 OH2 TIP3 6350 55.374 81.734 32.525 1.00 0.00 WT8 O ATOM 56030 H1 TIP3 6350 54.675 82.307 32.208 1.00 0.00 WT8 H ATOM 56031 H2 TIP3 6350 55.161 80.874 32.164 1.00 0.00 WT8 H ATOM 56032 OH2 TIP3 6671 85.939 75.132 46.640 1.00 0.00 WT8 O ATOM 56033 H1 TIP3 6671 85.954 74.180 46.732 1.00 0.00 WT8 H ATOM 56034 H2 TIP3 6671 85.953 75.283 45.695 1.00 0.00 WT8 H ATOM 56035 OH2 TIP3 7563 87.004 18.848 41.189 1.00 0.00 WT8 O ATOM 56036 H1 TIP3 7563 86.332 18.817 40.508 1.00 0.00 WT8 H ATOM 56037 H2 TIP3 7563 86.866 18.050 41.699 1.00 0.00 WT8 H ATOM 56038 OH2 TIP3 7583 39.109 34.553 29.111 1.00 0.00 WT8 O ATOM 56039 H1 TIP3 7583 39.971 34.945 29.246 1.00 0.00 WT8 H ATOM 56040 H2 TIP3 7583 38.816 34.901 28.269 1.00 0.00 WT8 H ATOM 56041 OH2 TIP3 7607 23.267 41.505 31.385 1.00 0.00 WT8 O ATOM 56042 H1 TIP3 7607 23.045 40.608 31.634 1.00 0.00 WT8 H ATOM 56043 H2 TIP3 7607 23.008 42.035 32.138 1.00 0.00 WT8 H ATOM 56044 OH2 TIP3 7630 25.070 60.940 20.483 1.00 0.00 WT8 O ATOM 56045 H1 TIP3 7630 25.996 60.805 20.684 1.00 0.00 WT8 H ATOM 56046 H2 TIP3 7630 24.651 60.111 20.715 1.00 0.00 WT8 H ATOM 56047 OH2 TIP3 7631 74.511 42.909 -16.601 1.00 0.00 WT8 O ATOM 56048 H1 TIP3 7631 74.573 42.739 -15.661 1.00 0.00 WT8 H ATOM 56049 H2 TIP3 7631 74.740 43.833 -16.694 1.00 0.00 WT8 H ATOM 56050 OH2 TIP3 7647 75.997 0.234 42.079 1.00 0.00 WT8 O ATOM 56051 H1 TIP3 7647 75.338 0.928 42.101 1.00 0.00 WT8 H ATOM 56052 H2 TIP3 7647 76.820 0.690 41.906 1.00 0.00 WT8 H ATOM 56053 OH2 TIP3 7650 58.744 11.864 -4.034 1.00 0.00 WT8 O ATOM 56054 H1 TIP3 7650 59.218 11.123 -4.411 1.00 0.00 WT8 H ATOM 56055 H2 TIP3 7650 58.838 11.754 -3.088 1.00 0.00 WT8 H ATOM 56056 OH2 TIP3 7707 81.045 60.113 22.612 1.00 0.00 WT8 O ATOM 56057 H1 TIP3 7707 80.118 60.278 22.785 1.00 0.00 WT8 H ATOM 56058 H2 TIP3 7707 81.189 60.453 21.729 1.00 0.00 WT8 H ATOM 56059 OH2 TIP3 7961 35.562 60.711 37.663 1.00 0.00 WT8 O ATOM 56060 H1 TIP3 7961 35.217 61.468 38.136 1.00 0.00 WT8 H ATOM 56061 H2 TIP3 7961 36.339 61.043 37.213 1.00 0.00 WT8 H ATOM 56062 OH2 TIP3 7985 24.377 28.245 48.120 1.00 0.00 WT8 O ATOM 56063 H1 TIP3 7985 24.560 28.956 48.734 1.00 0.00 WT8 H ATOM 56064 H2 TIP3 7985 23.696 28.594 47.545 1.00 0.00 WT8 H ATOM 56065 OH2 TIP3 8023 38.855 4.579 42.982 1.00 0.00 WT8 O ATOM 56066 H1 TIP3 8023 37.960 4.913 43.039 1.00 0.00 WT8 H ATOM 56067 H2 TIP3 8023 39.344 5.277 42.545 1.00 0.00 WT8 H ATOM 56068 OH2 TIP3 8024 23.622 63.742 20.324 1.00 0.00 WT8 O ATOM 56069 H1 TIP3 8024 24.309 64.409 20.314 1.00 0.00 WT8 H ATOM 56070 H2 TIP3 8024 24.095 62.910 20.303 1.00 0.00 WT8 H ATOM 56071 OH2 TIP3 8046 67.410 89.094 47.645 1.00 0.00 WT8 O ATOM 56072 H1 TIP3 8046 66.712 88.978 47.000 1.00 0.00 WT8 H ATOM 56073 H2 TIP3 8046 66.964 89.431 48.423 1.00 0.00 WT8 H ATOM 56074 OH2 TIP3 8064 24.742 30.653 10.900 1.00 0.00 WT8 O ATOM 56075 H1 TIP3 8064 23.888 31.050 10.726 1.00 0.00 WT8 H ATOM 56076 H2 TIP3 8064 25.135 31.215 11.568 1.00 0.00 WT8 H ATOM 56077 OH2 TIP3 8067 47.804 19.880 -10.278 1.00 0.00 WT8 O ATOM 56078 H1 TIP3 8067 47.508 19.434 -11.072 1.00 0.00 WT8 H ATOM 56079 H2 TIP3 8067 47.161 19.635 -9.612 1.00 0.00 WT8 H ATOM 56080 OH2 TIP3 8068 50.764 26.994 62.121 1.00 0.00 WT8 O ATOM 56081 H1 TIP3 8068 50.941 26.824 61.195 1.00 0.00 WT8 H ATOM 56082 H2 TIP3 8068 49.810 26.976 62.190 1.00 0.00 WT8 H ATOM 56083 OH2 TIP3 8174 81.173 50.805 55.897 1.00 0.00 WT8 O ATOM 56084 H1 TIP3 8174 81.332 49.865 55.813 1.00 0.00 WT8 H ATOM 56085 H2 TIP3 8174 80.858 51.073 55.034 1.00 0.00 WT8 H ATOM 56086 OH2 TIP3 8403 39.433 10.711 35.741 1.00 0.00 WT8 O ATOM 56087 H1 TIP3 8403 39.280 10.589 34.804 1.00 0.00 WT8 H ATOM 56088 H2 TIP3 8403 39.502 11.659 35.852 1.00 0.00 WT8 H ATOM 56089 OH2 TIP3 8411 83.759 70.706 45.392 1.00 0.00 WT8 O ATOM 56090 H1 TIP3 8411 83.796 71.267 44.618 1.00 0.00 WT8 H ATOM 56091 H2 TIP3 8411 83.270 69.934 45.105 1.00 0.00 WT8 H ATOM 56092 OH2 TIP3 8425 51.606 71.027 47.628 1.00 0.00 WT8 O ATOM 56093 H1 TIP3 8425 50.828 70.472 47.680 1.00 0.00 WT8 H ATOM 56094 H2 TIP3 8425 51.741 71.164 46.691 1.00 0.00 WT8 H ATOM 56095 OH2 TIP3 8466 68.080 3.652 -8.543 1.00 0.00 WT8 O ATOM 56096 H1 TIP3 8466 68.540 3.611 -9.382 1.00 0.00 WT8 H ATOM 56097 H2 TIP3 8466 67.753 4.549 -8.491 1.00 0.00 WT8 H ATOM 56098 OH2 TIP3 8468 20.521 1.602 45.402 1.00 0.00 WT8 O ATOM 56099 H1 TIP3 8468 20.368 2.117 44.610 1.00 0.00 WT8 H ATOM 56100 H2 TIP3 8468 21.393 1.227 45.280 1.00 0.00 WT8 H ATOM 56101 OH2 TIP3 8534 65.733 33.053 40.107 1.00 0.00 WT8 O ATOM 56102 H1 TIP3 8534 65.292 33.902 40.113 1.00 0.00 WT8 H ATOM 56103 H2 TIP3 8534 66.268 33.055 40.901 1.00 0.00 WT8 H ATOM 56104 OH2 TIP3 8536 62.130 2.772 63.444 1.00 0.00 WT8 O ATOM 56105 H1 TIP3 8536 61.615 2.433 62.712 1.00 0.00 WT8 H ATOM 56106 H2 TIP3 8536 62.610 2.012 63.772 1.00 0.00 WT8 H ATOM 56107 OH2 TIP3 8549 87.650 72.354 -4.570 1.00 0.00 WT8 O ATOM 56108 H1 TIP3 8549 86.904 72.490 -3.985 1.00 0.00 WT8 H ATOM 56109 H2 TIP3 8549 88.408 72.641 -4.061 1.00 0.00 WT8 H ATOM 56110 OH2 TIP3 8556 27.301 78.417 -14.762 1.00 0.00 WT8 O ATOM 56111 H1 TIP3 8556 27.377 79.364 -14.877 1.00 0.00 WT8 H ATOM 56112 H2 TIP3 8556 28.077 78.174 -14.257 1.00 0.00 WT8 H ATOM 56113 OH2 TIP3 8558 84.191 73.563 -5.125 1.00 0.00 WT8 O ATOM 56114 H1 TIP3 8558 84.281 73.835 -6.039 1.00 0.00 WT8 H ATOM 56115 H2 TIP3 8558 84.277 72.610 -5.149 1.00 0.00 WT8 H ATOM 56116 OH2 TIP3 8574 68.806 89.712 19.174 1.00 0.00 WT8 O ATOM 56117 H1 TIP3 8574 68.296 90.456 18.853 1.00 0.00 WT8 H ATOM 56118 H2 TIP3 8574 68.217 88.962 19.088 1.00 0.00 WT8 H ATOM 56119 OH2 TIP3 8780 25.990 79.862 37.638 1.00 0.00 WT8 O ATOM 56120 H1 TIP3 8780 25.660 79.394 36.871 1.00 0.00 WT8 H ATOM 56121 H2 TIP3 8780 26.043 80.776 37.357 1.00 0.00 WT8 H ATOM 56122 OH2 TIP3 8822 77.832 46.162 61.562 1.00 0.00 WT8 O ATOM 56123 H1 TIP3 8822 77.519 47.064 61.633 1.00 0.00 WT8 H ATOM 56124 H2 TIP3 8822 77.443 45.713 62.312 1.00 0.00 WT8 H ATOM 56125 OH2 TIP3 8845 42.826 48.627 -12.348 1.00 0.00 WT8 O ATOM 56126 H1 TIP3 8845 43.174 48.482 -11.467 1.00 0.00 WT8 H ATOM 56127 H2 TIP3 8845 43.306 49.388 -12.673 1.00 0.00 WT8 H ATOM 56128 OH2 TIP3 8927 32.942 21.346 -6.680 1.00 0.00 WT8 O ATOM 56129 H1 TIP3 8927 32.130 21.807 -6.471 1.00 0.00 WT8 H ATOM 56130 H2 TIP3 8927 32.989 21.363 -7.636 1.00 0.00 WT8 H ATOM 56131 OH2 TIP3 8935 61.530 59.245 31.179 1.00 0.00 WT8 O ATOM 56132 H1 TIP3 8935 60.670 58.903 31.423 1.00 0.00 WT8 H ATOM 56133 H2 TIP3 8935 61.371 59.743 30.378 1.00 0.00 WT8 H ATOM 56134 OH2 TIP3 8972 48.046 92.399 7.260 1.00 0.00 WT8 O ATOM 56135 H1 TIP3 8972 47.588 93.201 7.510 1.00 0.00 WT8 H ATOM 56136 H2 TIP3 8972 48.399 92.058 8.081 1.00 0.00 WT8 H ATOM 56137 OH2 TIP3 8973 47.641 8.626 -7.786 1.00 0.00 WT8 O ATOM 56138 H1 TIP3 8973 48.051 8.616 -6.921 1.00 0.00 WT8 H ATOM 56139 H2 TIP3 8973 46.996 9.331 -7.736 1.00 0.00 WT8 H ATOM 56140 OH2 TIP3 8977 29.184 69.465 59.912 1.00 0.00 WT8 O ATOM 56141 H1 TIP3 8977 28.501 70.093 59.677 1.00 0.00 WT8 H ATOM 56142 H2 TIP3 8977 29.123 68.782 59.244 1.00 0.00 WT8 H ATOM 56143 OH2 TIP3 8988 26.870 79.658 64.811 1.00 0.00 WT8 O ATOM 56144 H1 TIP3 8988 27.697 79.672 65.292 1.00 0.00 WT8 H ATOM 56145 H2 TIP3 8988 27.124 79.763 63.894 1.00 0.00 WT8 H ATOM 56146 OH2 TIP3 9055 34.241 76.094 55.673 1.00 0.00 WT8 O ATOM 56147 H1 TIP3 9055 33.631 75.959 56.398 1.00 0.00 WT8 H ATOM 56148 H2 TIP3 9055 34.661 76.932 55.865 1.00 0.00 WT8 H ATOM 56149 OH2 TIP3 9096 73.992 44.719 46.057 1.00 0.00 WT8 O ATOM 56150 H1 TIP3 9096 74.586 43.971 45.995 1.00 0.00 WT8 H ATOM 56151 H2 TIP3 9096 73.662 44.838 45.166 1.00 0.00 WT8 H ATOM 56152 OH2 TIP3 9250 82.236 5.726 34.450 1.00 0.00 WT8 O ATOM 56153 H1 TIP3 9250 81.293 5.890 34.445 1.00 0.00 WT8 H ATOM 56154 H2 TIP3 9250 82.337 4.921 34.957 1.00 0.00 WT8 H ATOM 56155 SOD SOD 1 82.387 74.138 2.565 1.00 0.00 ION NA ATOM 56156 SOD SOD 2 42.981 80.150 6.202 1.00 0.00 ION NA ATOM 56157 SOD SOD 3 58.709 65.194 66.701 1.00 0.00 ION NA ATOM 56158 SOD SOD 4 57.849 13.005 56.500 1.00 0.00 ION NA ATOM 56159 SOD SOD 5 81.736 20.303 66.256 1.00 0.00 ION NA ATOM 56160 SOD SOD 6 63.014 26.020 -7.358 1.00 0.00 ION NA ATOM 56161 SOD SOD 7 86.841 74.882 52.025 1.00 0.00 ION NA ATOM 56162 SOD SOD 8 69.906 33.351 29.178 1.00 0.00 ION NA ATOM 56163 SOD SOD 9 67.037 40.753 2.215 1.00 0.00 ION NA ATOM 56164 SOD SOD 10 67.447 26.815 11.253 1.00 0.00 ION NA ATOM 56165 SOD SOD 11 35.475 78.283 -17.898 1.00 0.00 ION NA ATOM 56166 SOD SOD 12 67.656 30.129 36.534 1.00 0.00 ION NA ATOM 56167 SOD SOD 13 66.184 1.905 12.491 1.00 0.00 ION NA ATOM 56168 SOD SOD 14 21.654 68.708 65.053 1.00 0.00 ION NA ATOM 56169 SOD SOD 15 20.770 78.219 45.573 1.00 0.00 ION NA ATOM 56170 SOD SOD 16 44.701 43.914 -9.552 1.00 0.00 ION NA ATOM 56171 SOD SOD 17 77.851 40.681 1.283 1.00 0.00 ION NA ATOM 56172 SOD SOD 18 30.696 28.374 34.701 1.00 0.00 ION NA ATOM 56173 SOD SOD 19 60.322 83.192 -14.970 1.00 0.00 ION NA ATOM 56174 SOD SOD 20 61.024 84.605 0.104 1.00 0.00 ION NA ATOM 56175 SOD SOD 21 21.501 57.273 34.244 1.00 0.00 ION NA ATOM 56176 SOD SOD 22 58.516 73.470 56.059 1.00 0.00 ION NA ATOM 56177 SOD SOD 23 78.358 69.180 58.680 1.00 0.00 ION NA ATOM 56178 SOD SOD 24 38.803 32.394 2.146 1.00 0.00 ION NA ATOM 56179 SOD SOD 25 89.370 2.378 -3.591 1.00 0.00 ION NA ATOM 56180 SOD SOD 26 37.074 60.516 63.572 1.00 0.00 ION NA ATOM 56181 SOD SOD 27 76.649 88.060 -3.603 1.00 0.00 ION NA ATOM 56182 SOD SOD 28 54.533 95.056 -1.055 1.00 0.00 ION NA ATOM 56183 SOD SOD 29 68.966 44.267 51.192 1.00 0.00 ION NA ATOM 56184 SOD SOD 30 86.886 91.403 62.994 1.00 0.00 ION NA ATOM 56185 SOD SOD 31 43.865 18.803 65.650 1.00 0.00 ION NA ATOM 56186 SOD SOD 32 57.671 78.373 28.095 1.00 0.00 ION NA ATOM 56187 SOD SOD 33 76.348 16.465 60.178 1.00 0.00 ION NA ATOM 56188 SOD SOD 34 65.392 20.443 54.403 1.00 0.00 ION NA ATOM 56189 SOD SOD 35 73.158 78.872 5.065 1.00 0.00 ION NA ATOM 56190 SOD SOD 36 73.373 39.962 61.190 1.00 0.00 ION NA ATOM 56191 SOD SOD 37 76.772 91.758 58.958 1.00 0.00 ION NA ATOM 56192 SOD SOD 38 73.494 90.073 11.445 1.00 0.00 ION NA ATOM 56193 SOD SOD 39 34.420 92.261 31.713 1.00 0.00 ION NA ATOM 56194 SOD SOD 40 47.018 44.534 3.309 1.00 0.00 ION NA ATOM 56195 SOD SOD 41 42.303 38.720 -19.462 1.00 0.00 ION NA ATOM 56196 SOD SOD 42 70.373 37.381 42.376 1.00 0.00 ION NA ATOM 56197 SOD SOD 43 60.554 22.787 63.795 1.00 0.00 ION NA ATOM 56198 SOD SOD 44 83.312 61.562 -11.703 1.00 0.00 ION NA ATOM 56199 SOD SOD 45 80.403 73.141 12.415 1.00 0.00 ION NA ATOM 56200 SOD SOD 46 77.380 75.309 -16.256 1.00 0.00 ION NA ATOM 56201 SOD SOD 47 76.155 81.118 14.960 1.00 0.00 ION NA ATOM 56202 SOD SOD 48 71.041 40.040 -16.066 1.00 0.00 ION NA ATOM 56203 SOD SOD 49 53.177 93.921 61.774 1.00 0.00 ION NA ATOM 56204 SOD SOD 50 23.101 84.943 3.570 1.00 0.00 ION NA ATOM 56205 SOD SOD 51 34.148 74.247 24.888 1.00 0.00 ION NA ATOM 56206 SOD SOD 52 39.784 6.215 35.762 1.00 0.00 ION NA ATOM 56207 SOD SOD 53 47.004 3.642 -6.384 1.00 0.00 ION NA ATOM 56208 SOD SOD 54 38.785 69.723 57.037 1.00 0.00 ION NA ATOM 56209 SOD SOD 55 79.247 46.523 33.978 1.00 0.00 ION NA ATOM 56210 SOD SOD 56 53.292 23.127 37.266 1.00 0.00 ION NA ATOM 56211 SOD SOD 57 86.998 34.470 -10.199 1.00 0.00 ION NA ATOM 56212 SOD SOD 58 56.277 14.749 -12.570 1.00 0.00 ION NA ATOM 56213 SOD SOD 59 88.681 72.498 -19.368 1.00 0.00 ION NA ATOM 56214 SOD SOD 60 64.922 45.302 62.550 1.00 0.00 ION NA ATOM 56215 SOD SOD 61 21.503 9.007 52.877 1.00 0.00 ION NA ATOM 56216 SOD SOD 62 26.317 49.392 38.683 1.00 0.00 ION NA ATOM 56217 SOD SOD 63 83.429 51.923 42.330 1.00 0.00 ION NA ATOM 56218 SOD SOD 64 56.186 15.024 24.192 1.00 0.00 ION NA ATOM 56219 SOD SOD 65 37.948 36.384 54.600 1.00 0.00 ION NA ATOM 56220 SOD SOD 66 87.176 9.470 39.159 1.00 0.00 ION NA ATOM 56221 SOD SOD 67 28.548 44.316 59.227 1.00 0.00 ION NA ATOM 56222 SOD SOD 68 27.848 35.282 40.593 1.00 0.00 ION NA ATOM 56223 SOD SOD 69 69.792 26.857 -16.442 1.00 0.00 ION NA ATOM 56224 SOD SOD 70 52.130 11.503 -2.831 1.00 0.00 ION NA ATOM 56225 SOD SOD 71 47.086 23.384 -18.535 1.00 0.00 ION NA ATOM 56226 SOD SOD 72 36.364 48.230 41.821 1.00 0.00 ION NA ATOM 56227 SOD SOD 73 30.656 58.048 43.307 1.00 0.00 ION NA ATOM 56228 SOD SOD 74 33.192 50.424 32.252 1.00 0.00 ION NA ATOM 56229 SOD SOD 75 24.918 6.860 5.431 1.00 0.00 ION NA ATOM 56230 SOD SOD 76 69.075 30.473 58.219 1.00 0.00 ION NA ATOM 56231 SOD SOD 77 90.247 93.936 46.178 1.00 0.00 ION NA ATOM 56232 SOD SOD 78 56.541 4.174 24.144 1.00 0.00 ION NA ATOM 56233 SOD SOD 79 22.467 29.762 55.571 1.00 0.00 ION NA ATOM 56234 SOD SOD 80 61.637 67.858 41.825 1.00 0.00 ION NA END